| 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 | 38.1 | Very low | 66.4 | Low | 241 Ų | 241 | 121.6 Ų | 121.6 | 100% | 1.187 | 62% | 0.617 | S | S | * | * | 0 | 88.8 | 0 | -75.1 | -167.4 | -105.8 | 0 | 0 | 108.2 | R3 | M1-R3 PolarHBondContact O-N 3.02Š| |||
| 2 | S | 41.8 | Very low | 68.5 | Low | 119 Ų | 119 | 121.2 Ų | 121.2 | 83% | 0.832 | 60% | 0.602 | S | S | * | * | trans | -65.3 | 121.2 | 169.4 | 48.4 | 0 | 0 | 0 | 0 | 107.2 | S4 | S2-S4 VanDerWaalsContact C-N 3.33Å; S2-S4 PolarHBondContact O-N 3.16Å | ||
| 3 | R | 41.3 | Very low | 70.4 | Confident | 238 Ų | 238 | 122 Ų | 122 | 90% | 0.898 | 60% | 0.603 | S | S | * | * | trans | -64.6 | 101.2 | 168.3 | -73.6 | 179.8 | 174.6 | 175 | -1.8 | 105.7 | M1 I5 | M1-R3 PolarHBondContact O-N 3.02Å; R3-I5 PolarHBondContact O-N 3.22Å | ||
| 4 | S | 52.2 | Low | 72.2 | Confident | 101 Ų | 101 | 113.6 Ų | 113.6 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | trans | -55.7 | 109.6 | 166.5 | 171.4 | 0 | 0 | 0 | 0 | 106.7 | S2 V6 | S2-S4 VanDerWaalsContact C-N 3.33Å; S2-S4 PolarHBondContact O-N 3.16Å; S4-V6 PolarHBondContact O-N 3.38Å | ||
| 5 | I | 57.8 | Low | 73.8 | Confident | 160 Ų | 160 | 111.8 Ų | 111.8 | 82% | 0.821 | 55% | 0.55 | S | S | * | . | trans | -66.6 | 103.5 | 171.8 | -64.2 | 172 | 0 | 0 | 0 | 104.5 | R3 R7 | R3-I5 PolarHBondContact O-N 3.22Å; I5-R7 PolarHBondContact O-N 3.42Å; I5-R7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | V | 63.6 | Low | 75.2 | Confident | 105 Ų | 105 | 105.9 Ų | 105.9 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | trans | -61.9 | 116.4 | 176.9 | 179 | 0 | 0 | 0 | 0 | 107 | S4 Q8 | S4-V6 PolarHBondContact O-N 3.38Å; V6-Q8 PolarHBondContact O-N 3.23Å | ||
| 7 | R | 79.1 | Confident | 76.4 | Confident | 62 Ų | 62 | 106.3 Ų | 106.3 | 23% | 0.234 | 53% | 0.526 | C | S | . | . | trans | -54.1 | 129.7 | 177.4 | -162.3 | -167.4 | 115.3 | -146 | -2.6 | 109.3 | I5 S9 E294 H303 | I5-R7 PolarHBondContact O-N 3.42Å; I5-R7 VanDerWaalsContact O-N 3.11Å; R7-S9 PolarHBondContact O-N 3.08Å; R7-E294 IonicContact CZ-OE2 2.77Å; R7-E294 IonicContact NH1-OE2 2.7Å; R7-E294 IonicContact NH2-OE1 3.63Å; R7-E294 PolarHBondContact NH2-OE1 3.15Å; R7-E294 IonicContact NH2-OE2 3.1Å; R7-E294 PolarHBondContact NH2-OE2 2.91Å; R7-H303 PolarHBondContact NH1-CD2 3.03Å; R7-H303 PolarHBondContact NH1-ND1 3.47Å; R7-H303 VanDerWaalsContact NH1-ND1 3.18Å | ||
| 8 | Q | 82.9 | Confident | 77.4 | Confident | 190 Ų | 190 | 102.2 Ų | 102.2 | 89% | 0.888 | 51% | 0.512 | S | S | * | . | trans | -76.7 | 112.3 | 174.1 | -68.1 | -171.1 | -4.9 | 0 | 0 | 108.6 | V6 | V6-Q8 PolarHBondContact O-N 3.23Š| ||
| 9 | S | 88.9 | Confident | 78.2 | Confident | 22 Ų | 22 | 98.3 Ų | 98.3 | 15% | 0.154 | 49% | 0.494 | C | S | . | . | trans | -127.2 | 130 | 171 | 165.9 | 0 | 0 | 0 | 0 | 108.6 | R7 F11 R12 E294 | R7-S9 PolarHBondContact O-N 3.08Å; S9-F11 PolarHBondContact O-N 3.41Å; S9-F11 PolarHBondContact OG-N 2.92Å; S9-R12 VanDerWaalsContact O-CB 3.31Å; S9-R12 WeakPolarHBondContact O-CB 3.29Å; S9-R12 PolarHBondContact O-N 2.7Å; S9-R12 PolarHBondContact OG-N 3.03Å; S9-E294 VanDerWaalsContact CB-OE2 3.29Å; S9-E294 WeakPolarHBondContact CB-OE2 3.28Å; S9-E294 PolarHBondContact OG-OE2 3.38Å | ||
| 10 | K | 90.8 | Very high | 78.8 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.6 | 172.3 | 66.3 | -174.5 | -179 | -175.5 | 0 | 112.5 | D360 L361 | K10-D360 PolarHBondContact NZ-O 3.17Å; K10-L361 HydrophobicContact CD-CD2 4.34Å |
| 11 | F | 93.6 | Very high | 79.1 | Confident | 4 Ų | 4 | 100.2 Ų | 100.2 | 2% | 0.018 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 1.1 | 179.9 | -56.7 | -64.6 | 0 | 0 | 0 | 113.7 | S9 H13 V14 A277 M279 E294 L305 I332 V350 L361 | S9-F11 PolarHBondContact O-N 3.41Å; S9-F11 PolarHBondContact OG-N 2.92Å; F11-H13 PolarHBondContact O-N 3Å; F11-V14 HydrophobicContact CB-CG2 3.89Å; F11-V14 HydrophobicContact CD1-CG2 4.02Å; F11-V14 HydrophobicContact CG-CG2 4.46Å; F11-V14 WeakPolarHBondContact O-CB 3.38Å; F11-V14 VanDerWaalsContact O-CG2 3.29Å; F11-V14 WeakPolarHBondContact O-CG2 3.36Å; F11-V14 PolarHBondContact O-N 3.29Å; F11-A277 HydrophobicContact CE1-CB 3.99Å; F11-A277 HydrophobicContact CE2-CB 4.13Å; F11-A277 VanDerWaalsContact CE2-O 3.23Å; F11-A277 WeakPolarHBondContact CE2-O 3.49Å; F11-A277 HydrophobicContact CZ-CB 3.55Å; F11-M279 HydrophobicContact CB-SD 3.78Å; F11-M279 HydrophobicContact CD1-SD 3.64Å; F11-M279 HydrophobicContact CD2-CG 4.37Å; F11-M279 HydrophobicContact CD2-SD 4.06Å; F11-M279 HydrophobicContact CE1-SD 4.17Å; F11-M279 HydrophobicContact CG-CG 4.44Å; F11-M279 HydrophobicContact CG-SD 3.56Å; F11-M279 VanDerWaalsContact CG-SD 3.56Å; F11-E294 HydrophobicContact CD2-CG 4.38Å; F11-L305 HydrophobicContact CB-CD1 3.89Å; F11-I332 HydrophobicContact CD1-CD1 4.14Å; F11-I332 HydrophobicContact CE1-CD1 4.34Å; F11-V350 HydrophobicContact CD1-CG2 3.91Å; F11-V350 HydrophobicContact CE1-CG2 4.22Å; F11-L361 HydrophobicContact CE1-CD2 3.97Å |
| 12 | R | 91.8 | Very high | 81.4 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -33.2 | -178.1 | 178.9 | 60.6 | -174.3 | 93.4 | -7 | 114.3 | S9 | S9-R12 VanDerWaalsContact O-CB 3.31Å; S9-R12 WeakPolarHBondContact O-CB 3.29Å; S9-R12 PolarHBondContact O-N 2.7Å; S9-R12 PolarHBondContact OG-N 3.03Å |
| 13 | H | 93.6 | Very high | 83.6 | Confident | 132 Ų | 132 | 95.7 Ų | 95.7 | 61% | 0.611 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 16.6 | -175.7 | -59.8 | -62.8 | 0 | 0 | 0 | 113.1 | F11 F15 P351 | F11-H13 PolarHBondContact O-N 3Å; H13-F15 PolarHBondContact O-N 3.33Å; H13-P351 HydrophobicContact CB-CG 3.8Å; H13-P351 WeakPolarHBondContact O-CD 3.19Å; H13-P351 WeakPolarHBondContact O-CG 3.09Å |
| 14 | V | 96 | Very high | 86 | Confident | 4 Ų | 4 | 84.6 Ų | 84.6 | 2% | 0.024 | 43% | 0.433 | C | S | . | . | trans | -55.6 | 133.8 | 168.2 | 170 | 0 | 0 | 0 | 0 | 108.7 | F11 M279 Y292 I332 M348 T349 V350 | F11-V14 HydrophobicContact CB-CG2 3.89Å; F11-V14 HydrophobicContact CD1-CG2 4.02Å; F11-V14 HydrophobicContact CG-CG2 4.46Å; F11-V14 WeakPolarHBondContact O-CB 3.38Å; F11-V14 VanDerWaalsContact O-CG2 3.29Å; F11-V14 WeakPolarHBondContact O-CG2 3.36Å; F11-V14 PolarHBondContact O-N 3.29Å; V14-M279 HydrophobicContact CG1-CE 4.35Å; V14-M279 HydrophobicContact CG2-CE 4.38Å; V14-M279 HydrophobicContact CG2-SD 4.47Å; V14-Y292 HydrophobicContact CB-CE2 4.23Å; V14-Y292 HydrophobicContact CG1-CD2 4.43Å; V14-Y292 HydrophobicContact CG1-CE2 3.98Å; V14-Y292 PolarHBondContact O-OH 3.47Å; V14-I332 HydrophobicContact CG1-CD1 4.06Å; V14-I332 HydrophobicContact CG2-CD1 3.65Å; V14-M348 HydrophobicContact CG1-CB 4.41Å; V14-M348 HydrophobicContact CG1-CE 3.87Å; V14-T349 WeakPolarHBondContact CA-O 3.46Å; V14-V350 HydrophobicContact CG2-CG2 3.64Å | ||
| 15 | F | 95.9 | Very high | 88.1 | Confident | 87 Ų | 87 | 80 Ų | 80 | 38% | 0.382 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.9 | 175.2 | 66.8 | -83.9 | 0 | 0 | 0 | 110.2 | H13 Q17 T349 P351 | H13-F15 PolarHBondContact O-N 3.33Å; F15-Q17 HydrophobicContact CD2-CB 4.5Å; F15-Q17 HydrophobicContact CE2-CB 4.32Å; F15-T349 HydrophobicContact CE1-CG2 4.39Å; F15-T349 HydrophobicContact CZ-CG2 4.33Å; F15-T349 PolarHBondContact N-O 3.42Å; F15-T349 PolarHBondContact O-N 2.69Å; F15-P351 HydrophobicContact CD1-CG 4.42Å; F15-P351 HydrophobicContact CE1-CB 4.05Å; F15-P351 HydrophobicContact CE1-CG 4.28Å |
| 16 | G | 95.6 | Very high | 89.9 | Confident | 17 Ų | 17 | 75.1 Ų | 75.1 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F308 T347 M348 | G16-F308 WeakPolarHBondContact O-CD2 3.37Å; G16-T347 CarbonylContact C-O 3.56Å; G16-T347 VanDerWaalsContact CA-O 3.31Å; G16-T347 WeakPolarHBondContact CA-O 3.47Å; G16-M348 WeakPolarHBondContact CA-SD 3.4Å |
| 17 | Q | 95.8 | Very high | 91.3 | Very high | 113 Ų | 113 | 73.1 Ų | 73.1 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.3 | 173.4 | -177 | 171.2 | 8.7 | 0 | 0 | 109.6 | F15 T347 | F15-Q17 HydrophobicContact CD2-CB 4.5Å; F15-Q17 HydrophobicContact CE2-CB 4.32Å; Q17-T347 PolarHBondContact N-O 2.76Å; Q17-T347 PolarHBondContact O-N 2.57Å; Q17-T347 PolarHBondContact O-OG1 3.44Å |
| 18 | A | 94.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 70.3 Ų | 70.3 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 136.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | F308 E344 | A18-F308 HydrophobicContact CB-CZ 4.28Å; A18-E344 HydrophobicContact CB-CG 4.23Å |
| 19 | V | 92.3 | Very high | 92.6 | Very high | 28 Ų | 28 | 67.3 Ų | 67.3 | 17% | 0.17 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -67 | 162.2 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | Q23 P345 T347 | V19-Q23 HydrophobicContact CB-CB 4Å; V19-Q23 HydrophobicContact CG2-CB 3.89Å; V19-P345 HydrophobicContact CB-CB 4.5Å; V19-P345 HydrophobicContact CG1-CB 3.93Å; V19-P345 HydrophobicContact CG2-CB 3.76Å; V19-P345 HydrophobicContact CG2-CG 3.83Å; V19-P345 WeakPolarHBondContact CG2-O 3.26Å; V19-P345 PolarHBondContact N-O 2.9Å; V19-T347 HydrophobicContact CG1-CG2 3.92Å |
| 20 | K | 90.8 | Very high | 92.9 | Very high | 158 Ų | 158 | 66.4 Ų | 66.4 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 150.4 | 174.8 | -63.9 | -179.6 | -178.6 | 178.7 | 0 | 109.7 | E22 Q23 G24 | K20-E22 PolarHBondContact O-N 3.48Å; K20-E22 VanDerWaalsContact O-N 3.08Å; K20-Q23 WeakPolarHBondContact O-CA 3.49Å; K20-Q23 WeakPolarHBondContact O-CB 3.36Å; K20-Q23 PolarHBondContact O-N 3.42Å; K20-G24 PolarHBondContact O-N 3.03Å |
| 21 | A | 84.5 | Confident | 93.1 | Very high | 79 Ų | 79 | 62.2 Ų | 62.2 | 65% | 0.653 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -51.8 | -37.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q23 G24 | A21-Q23 PolarHBondContact O-N 3.12Å; A21-G24 PolarHBondContact O-N 3.17Å |
| 22 | E | 87.1 | Confident | 93 | Very high | 160 Ų | 160 | 67.3 Ų | 67.3 | 75% | 0.748 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -63.4 | -21.8 | 177.9 | -60.8 | 171 | -172.2 | 0 | 0 | 114.2 | K20 T67 | K20-E22 PolarHBondContact O-N 3.48Å; K20-E22 VanDerWaalsContact O-N 3.08Å; E22-T67 WeakPolarHBondContact O-CB 3.45Å; E22-T67 PolarHBondContact O-OG1 3.33Å |
| 23 | Q | 88.6 | Confident | 93.1 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -98.6 | -2.1 | 177.9 | -63.7 | 177.6 | -21.3 | 0 | 0 | 112.3 | V19 K20 A21 T67 | V19-Q23 HydrophobicContact CB-CB 4Å; V19-Q23 HydrophobicContact CG2-CB 3.89Å; K20-Q23 WeakPolarHBondContact O-CA 3.49Å; K20-Q23 WeakPolarHBondContact O-CB 3.36Å; K20-Q23 PolarHBondContact O-N 3.42Å; A21-Q23 PolarHBondContact O-N 3.12Å; Q23-T67 WeakPolarHBondContact O-CG2 3.38Å |
| 24 | G | 91.6 | Very high | 93 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -81.9 | -178.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K20 A21 G68 | K20-G24 PolarHBondContact O-N 3.03Å; A21-G24 PolarHBondContact O-N 3.17Å; G24-G68 PolarHBondContact O-N 2.94Å |
| 25 | Y | 96.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.6 | 175.2 | -49.5 | -101.1 | 0 | 0 | 0 | 108.8 | L47 L62 L64 K66 T67 G68 Y336 K342 C343 P345 | Y25-L47 HydrophobicContact CD1-CD2 4.05Å; Y25-L47 HydrophobicContact CD2-CD2 3.57Å; Y25-L47 HydrophobicContact CE1-CD2 4.05Å; Y25-L47 HydrophobicContact CE2-CD2 3.62Å; Y25-L47 HydrophobicContact CG-CD2 3.81Å; Y25-L62 HydrophobicContact CD1-CD1 3.92Å; Y25-L64 WeakPolarHBondContact OH-CA 3.33Å; Y25-L64 PolarHBondContact OH-O 3.42Å; Y25-L64 VanDerWaalsContact OH-O 3.1Å; Y25-K66 WeakPolarHBondContact CD1-O 3.35Å; Y25-K66 WeakPolarHBondContact CE1-O 3.48Å; Y25-T67 HydrophobicContact CE1-CG2 4.18Å; Y25-G68 WeakPolarHBondContact CA-O 3.24Å; Y25-Y336 HydrophobicContact CE2-CD1 4.28Å; Y25-Y336 AromaticContact CE2-CE1 3.93Å; Y25-Y336 HydrophobicContact CE2-CE1 3.93Å; Y25-K342 CarbonylContact O-C 3.57Å; Y25-K342 WeakPolarHBondContact O-CA 3.46Å; Y25-K342 WeakPolarHBondContact O-CB 3.31Å; Y25-C343 HydrophobicContact CD2-CB 4.08Å; Y25-C343 HydrophobicContact CG-CB 4.49Å; Y25-C343 PolarHBondContact N-O 3.49Å; Y25-C343 PolarHBondContact O-N 3.31Å; Y25-P345 HydrophobicContact CD2-CG 4.48Å; Y25-P345 HydrophobicContact CE2-CG 3.98Å |
| 26 | D | 94.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 32% | 0.316 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 161.8 | -173.1 | -67.4 | -45.2 | 0 | 0 | 0 | 112.3 | I28 G68 V70 K342 | D26-I28 VanDerWaalsContact C-N 3.29Å; D26-I28 PolarHBondContact O-N 3.2Å; D26-G68 PolarHBondContact N-O 2.99Å; D26-V70 WeakPolarHBondContact O-CB 3.17Å; D26-V70 WeakPolarHBondContact O-CG2 3.47Å; D26-V70 PolarHBondContact O-N 3.44Å; D26-K342 WeakPolarHBondContact OD1-CB 3.49Å |
| 27 | D | 94.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 64.5 Ų | 64.5 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 61.9 | 28.3 | -179.5 | -83.9 | -7.5 | 0 | 0 | 0 | 114.6 | R69 K341 | D27-R69 HydrophobicContact CB-CG 4.16Å; D27-R69 IonicContact OD2-CZ 2.98Å; D27-R69 VanDerWaalsContact OD2-CZ 3.23Å; D27-R69 IonicContact OD2-NE 3.32Å; D27-R69 PolarHBondContact OD2-NE 3.4Å; D27-R69 IonicContact OD2-NH2 3.95Å; D27-R69 PolarHBondContact OD2-NH2 3Å; D27-K341 WeakPolarHBondContact CA-O 3.5Å; D27-K341 PolarHBondContact N-O 3.5Å |
| 28 | I | 94.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | trans | -85.4 | 122.4 | 172.6 | -58.8 | 176.1 | 0 | 0 | 0 | 110 | D26 V30 V49 V51 L60 L62 V70 K341 C343 | D26-I28 VanDerWaalsContact C-N 3.29Å; D26-I28 PolarHBondContact O-N 3.2Å; I28-V30 HydrophobicContact CG2-CG2 4.06Å; I28-V30 PolarHBondContact O-N 2.82Å; I28-V49 HydrophobicContact CG2-CB 4.42Å; I28-V49 HydrophobicContact CG2-CG1 3.95Å; I28-V51 HydrophobicContact CG2-CG1 3.98Å; I28-L60 HydrophobicContact CB-CD2 4.43Å; I28-L60 HydrophobicContact CD1-CD2 3.97Å; I28-L60 HydrophobicContact CG1-CD2 3.83Å; I28-L60 HydrophobicContact CG2-CD2 3.87Å; I28-L62 HydrophobicContact CD1-CD1 4.38Å; I28-V70 HydrophobicContact CD1-CG2 4.32Å; I28-V70 HydrophobicContact CG1-CB 4.45Å; I28-V70 HydrophobicContact CG1-CG2 3.87Å; I28-K341 PolarHBondContact N-O 2.75Å; I28-K341 CarbonylContact O-C 3.49Å; I28-K341 WeakPolarHBondContact O-CA 3.2Å; I28-C343 HydrophobicContact CD1-CB 4.13Å | ||
| 29 | R | 93.6 | Very high | 92.5 | Very high | 128 Ų | 128 | 58.7 Ų | 58.7 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | trans | -80.9 | 76.9 | 176.2 | -63.9 | -173.1 | -64.3 | -117.2 | -6 | 111.6 | V51 E52 | R29-V51 CarbonylContact O-C 3.51Å; R29-V51 WeakPolarHBondContact O-CA 3.05Å; R29-V51 WeakPolarHBondContact O-CB 3.25Å; R29-E52 PolarHBondContact O-N 2.82Å | ||
| 30 | V | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -60 | 138 | -178.6 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | I28 V49 R315 L338 L339 | I28-V30 HydrophobicContact CG2-CG2 4.06Å; I28-V30 PolarHBondContact O-N 2.82Å; V30-V49 HydrophobicContact CG2-CG1 4.12Å; V30-R315 HydrophobicContact CG1-CB 4.23Å; V30-L338 HydrophobicContact CG1-CB 4.4Å; V30-L338 HydrophobicContact CG1-CD1 4Å; V30-L338 HydrophobicContact CG2-CB 4.44Å; V30-L338 HydrophobicContact CG2-CD2 4.46Å; V30-L339 VanDerWaalsContact CG2-O 3.31Å; V30-L339 WeakPolarHBondContact CG2-O 3.48Å |
| 31 | S | 94.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | trans | -56 | 136.8 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | V33 F39 I50 | S31-V33 WeakPolarHBondContact OG-CG2 3.48Å; S31-V33 PolarHBondContact OG-N 3.28Å; S31-F39 WeakPolarHBondContact O-CE2 3.46Å; S31-I50 PolarHBondContact N-O 3.12Å | ||
| 32 | K | 92.6 | Very high | 93.7 | Very high | 110 Ų | 110 | 47 Ų | 47 | 48% | 0.478 | 24% | 0.237 | S | C | . | . | trans | -99.9 | 7.7 | 173.5 | -66.6 | -173.8 | -162.1 | 99.1 | 0 | 113.5 | T34 E52 | K32-T34 PolarHBondContact O-N 3.49Å; K32-E52 WeakPolarHBondContact CB-OE1 3.47Å; K32-E52 WeakPolarHBondContact CD-OE1 3.2Å; K32-E52 WeakPolarHBondContact CE-OE1 3.33Å; K32-E52 WeakPolarHBondContact CG-OE1 3.31Å; K32-E52 VanDerWaalsContact NZ-CD 3.25Å; K32-E52 IonicContact NZ-OE1 2.71Å; K32-E52 PolarHBondContact NZ-OE1 2.77Å; K32-E52 IonicContact NZ-OE2 2.86Å; K32-E52 PolarHBondContact NZ-OE2 3.1Å | ||
| 33 | V | 93.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | trans | -57.2 | 135.8 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | S31 W35 F39 P83 L85 | S31-V33 WeakPolarHBondContact OG-CG2 3.48Å; S31-V33 PolarHBondContact OG-N 3.28Å; V33-W35 HydrophobicContact CG1-CB 4.27Å; V33-W35 PolarHBondContact O-N 3.37Å; V33-W35 VanDerWaalsContact O-N 3.08Å; V33-F39 HydrophobicContact CB-CZ 4.29Å; V33-F39 WeakPolarHBondContact O-CE2 3.22Å; V33-F39 WeakPolarHBondContact O-CZ 3.44Å; V33-P83 HydrophobicContact CG2-CB 3.9Å; V33-P83 HydrophobicContact CG2-CG 4.41Å; V33-L85 HydrophobicContact CG1-CD2 3.89Å | ||
| 34 | T | 91.9 | Very high | 94.6 | Very high | 140 Ų | 140 | 35.4 Ų | 35.4 | 86% | 0.859 | 18% | 0.184 | S | C | * | . | trans | -81.6 | 87.2 | 176.4 | 51.3 | 0 | 0 | 0 | 0 | 109.3 | K32 | K32-T34 PolarHBondContact O-N 3.49Š| ||
| 35 | W | 93.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 17% | 0.174 | 19% | 0.192 | C | C | . | . | trans | -141.2 | 145.9 | 175.3 | -164.2 | -109.9 | 0 | 0 | 0 | 109.6 | V33 S37 F39 L85 G135 K285 | V33-W35 HydrophobicContact CG1-CB 4.27Å; V33-W35 PolarHBondContact O-N 3.37Å; V33-W35 VanDerWaalsContact O-N 3.08Å; W35-S37 PolarHBondContact O-N 3.43Å; W35-F39 HydrophobicContact CB-CE1 3.99Å; W35-F39 HydrophobicContact CB-CZ 4.09Å; W35-L85 HydrophobicContact CB-CD2 4.19Å; W35-L85 HydrophobicContact CD2-CD1 4.24Å; W35-L85 HydrophobicContact CD2-CD2 4.21Å; W35-L85 HydrophobicContact CE3-CD1 4.41Å; W35-L85 HydrophobicContact CG-CB 4.31Å; W35-L85 HydrophobicContact CG-CD2 4.04Å; W35-L85 HydrophobicContact CZ2-CD1 4.46Å; W35-G135 PolarHBondContact NE1-O 2.84Å; W35-K285 PolarHBondContact O-NZ 3.34Å | ||
| 36 | D | 89.9 | Confident | 94.7 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 33% | 0.326 | 19% | 0.193 | S | C | . | . | trans | -93.2 | 16.8 | -170.9 | -70.8 | -32.4 | 0 | 0 | 0 | 113.8 | R223 L270 | D36-R223 VanDerWaalsContact C-NH2 3.32Å; D36-R223 PolarHBondContact O-NH2 2.86Å; D36-L270 WeakPolarHBondContact O-CD2 3.49Å | ||
| 37 | S | 92.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -76 | 173.7 | 171.1 | 67.8 | 0 | 0 | 0 | 0 | 112.2 | W35 F39 L85 D86 K285 | W35-S37 PolarHBondContact O-N 3.43Å; S37-F39 VanDerWaalsContact C-N 3.33Å; S37-F39 PolarHBondContact O-N 2.99Å; S37-F39 WeakPolarHBondContact OG-CD1 3.42Å; S37-F39 VanDerWaalsContact OG-CE1 3.29Å; S37-F39 WeakPolarHBondContact OG-CE1 3.49Å; S37-L85 WeakPolarHBondContact CB-O 3.4Å; S37-L85 PolarHBondContact OG-O 2.95Å; S37-D86 WeakPolarHBondContact CB-OD1 3.36Å; S37-K285 WeakPolarHBondContact O-CE 3.44Å; S37-K285 PolarHBondContact O-NZ 3.49Å |
| 38 | S | 93.4 | Very high | 95 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | trans | -70 | -24.7 | -176 | 72.7 | 0 | 0 | 0 | 0 | 114.5 | C40 Y272 G316 M317 | S38-C40 PolarHBondContact O-N 3.49Å; S38-C40 VanDerWaalsContact O-N 3.09Å; S38-C40 PolarHBondContact OG-N 3.26Å; S38-C40 PolarHBondContact OG-O 3.44Å; S38-Y272 WeakPolarHBondContact CB-OH 3.35Å; S38-G316 CarbonylContact O-C 3.55Å; S38-G316 WeakPolarHBondContact O-CA 3.49Å; S38-M317 VanDerWaalsContact CB-O 3.28Å; S38-M317 WeakPolarHBondContact CB-O 3.47Å; S38-M317 PolarHBondContact O-N 3.35Å | ||
| 39 | F | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 59 | 2.5 | -169.7 | -69.6 | -1.6 | 0 | 0 | 0 | 115.7 | S31 V33 W35 S37 I50 K285 L338 | S31-F39 WeakPolarHBondContact O-CE2 3.46Å; V33-F39 HydrophobicContact CB-CZ 4.29Å; V33-F39 WeakPolarHBondContact O-CE2 3.22Å; V33-F39 WeakPolarHBondContact O-CZ 3.44Å; W35-F39 HydrophobicContact CB-CE1 3.99Å; W35-F39 HydrophobicContact CB-CZ 4.09Å; S37-F39 VanDerWaalsContact C-N 3.33Å; S37-F39 PolarHBondContact O-N 2.99Å; S37-F39 WeakPolarHBondContact OG-CD1 3.42Å; S37-F39 VanDerWaalsContact OG-CE1 3.29Å; S37-F39 WeakPolarHBondContact OG-CE1 3.49Å; F39-I50 HydrophobicContact CB-CB 4.45Å; F39-I50 HydrophobicContact CD1-CD1 3.94Å; F39-I50 PolarHBondContact O-N 3.28Å; F39-K285 VanDerWaalsContact CE2-NZ 3.33Å; F39-K285 VanDerWaalsContact CZ-NZ 3.32Å; F39-L338 HydrophobicContact CB-CD1 3.92Å; F39-L338 WeakPolarHBondContact O-CD1 3.42Å |
| 40 | C | 97.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 125.4 | -172.5 | -166.1 | 0 | 0 | 0 | 0 | 108.8 | S38 A48 L338 | S38-C40 PolarHBondContact O-N 3.49Å; S38-C40 VanDerWaalsContact O-N 3.09Å; S38-C40 PolarHBondContact OG-N 3.26Å; S38-C40 PolarHBondContact OG-O 3.44Å; C40-A48 WeakPolarHBondContact CA-O 3.4Å; C40-L338 HydrophobicContact CB-CD1 3.61Å; C40-L338 HydrophobicContact CB-CD2 4.33Å; C40-L338 HydrophobicContact CB-CG 3.86Å |
| 41 | A | 98.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 26 Ų | 26 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | A48 I87 W89 | A41-A48 PolarHBondContact N-O 2.75Å; A41-A48 WeakPolarHBondContact O-CA 3.31Å; A41-A48 WeakPolarHBondContact O-CB 3.46Å; A41-A48 PolarHBondContact O-N 3.31Å; A41-I87 HydrophobicContact CB-CB 4.48Å; A41-I87 HydrophobicContact CB-CD1 3.96Å; A41-I87 HydrophobicContact CB-CG1 3.87Å; A41-W89 VanDerWaalsContact C-NE1 3.26Å; A41-W89 PolarHBondContact O-NE1 2.86Å |
| 42 | V | 97.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.9 | -177.1 | 60 | 0 | 0 | 0 | 0 | 109.2 | F46 L47 L64 F319 M320 P321 Y336 | V42-F46 WeakPolarHBondContact CA-O 3.47Å; V42-F46 WeakPolarHBondContact CG2-O 3.47Å; V42-L47 HydrophobicContact CB-CD1 4.29Å; V42-L64 HydrophobicContact CG2-CD2 3.96Å; V42-F319 VanDerWaalsContact CG1-C 3.42Å; V42-F319 WeakPolarHBondContact CG1-O 3.48Å; V42-M320 HydrophobicContact CG1-CB 4.4Å; V42-M320 HydrophobicContact CG2-CE 3.41Å; V42-M320 VanDerWaalsContact CG2-CE 3.41Å; V42-M320 HydrophobicContact CG2-SD 4.2Å; V42-P321 WeakPolarHBondContact O-CD 3.5Å; V42-Y336 HydrophobicContact CB-CD2 4.25Å; V42-Y336 HydrophobicContact CB-CE2 4.45Å; V42-Y336 HydrophobicContact CB-CG 4.49Å; V42-Y336 HydrophobicContact CG1-CD2 3.79Å; V42-Y336 HydrophobicContact CG1-CE2 4.16Å; V42-Y336 HydrophobicContact CG1-CG 4.36Å; V42-Y336 HydrophobicContact CG2-CD2 4.07Å; V42-Y336 HydrophobicContact CG2-CE1 4.23Å; V42-Y336 HydrophobicContact CG2-CE2 3.8Å; V42-Y336 HydrophobicContact CG2-CG 4.44Å |
| 43 | N | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.011 | 15% | 0.15 | C | C | . | . | trans | -132.6 | -179.2 | 170.7 | 77.3 | 8.5 | 0 | 0 | 0 | 109.1 | K45 F46 L64 W89 D94 | N43-K45 PolarHBondContact O-N 3Å; N43-K45 PolarHBondContact OD1-N 2.79Å; N43-F46 PolarHBondContact N-O 3.36Å; N43-F46 PolarHBondContact OD1-N 2.93Å; N43-F46 PolarHBondContact OD1-O 2.98Å; N43-L64 WeakPolarHBondContact O-CD1 3.34Å; N43-W89 HydrophobicContact CB-CB 4.2Å; N43-W89 HydrophobicContact CB-CD2 4.19Å; N43-W89 HydrophobicContact CB-CG 3.88Å; N43-W89 VanDerWaalsContact ND2-CD2 3.32Å; N43-D94 VanDerWaalsContact ND2-C 3.34Å; N43-D94 VanDerWaalsContact ND2-CA 3.33Å; N43-D94 WeakPolarHBondContact ND2-CA 3.46Å; N43-D94 PolarHBondContact ND2-O 2.88Å | ||
| 44 | P | 95.6 | Very high | 94 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -62.1 | -11.6 | -177.5 | -28 | 38.6 | 0 | 0 | 0 | 116.2 | L64 R323 Y394 | P44-L64 WeakPolarHBondContact O-CD1 3.45Å; P44-R323 HydrophobicContact CG-CB 3.78Å; P44-Y394 HydrophobicContact CB-CD2 3.57Å; P44-Y394 HydrophobicContact CB-CE2 3.21Å; P44-Y394 HydrophobicContact CB-CG 4.45Å; P44-Y394 HydrophobicContact CG-CD2 4.05Å; P44-Y394 HydrophobicContact CG-CE2 3.65Å |
| 45 | K | 94.7 | Very high | 93.2 | Very high | 50 Ų | 50 | 28 Ų | 28 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -112 | -38 | -177.6 | -66 | 177.9 | 72.9 | 168.1 | 0 | 113 | N43 P63 L64 D94 N95 D113 | N43-K45 PolarHBondContact O-N 3Å; N43-K45 PolarHBondContact OD1-N 2.79Å; K45-P63 WeakPolarHBondContact O-CA 3.33Å; K45-L64 PolarHBondContact O-N 3.19Å; K45-D94 HydrophobicContact CD-CB 3.64Å; K45-D94 HydrophobicContact CG-CB 4.17Å; K45-N95 PolarHBondContact NZ-OD1 3.04Å; K45-D113 WeakPolarHBondContact CE-OD1 3.41Å; K45-D113 VanDerWaalsContact NZ-CG 3.27Å; K45-D113 IonicContact NZ-OD1 3.42Å; K45-D113 PolarHBondContact NZ-OD1 2.91Å; K45-D113 IonicContact NZ-OD2 3.99Å; K45-D113 PolarHBondContact NZ-OD2 3.48Å |
| 46 | F | 96.8 | Very high | 93 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.1 | -167.1 | -52.8 | -74.7 | 0 | 0 | 0 | 113 | V42 N43 V61 L62 P63 W89 D94 N95 I111 P112 | V42-F46 WeakPolarHBondContact CA-O 3.47Å; V42-F46 WeakPolarHBondContact CG2-O 3.47Å; N43-F46 PolarHBondContact N-O 3.36Å; N43-F46 PolarHBondContact OD1-N 2.93Å; N43-F46 PolarHBondContact OD1-O 2.98Å; F46-V61 HydrophobicContact CB-CG1 3.92Å; F46-V61 HydrophobicContact CD1-CG1 4.17Å; F46-V61 HydrophobicContact CG-CG1 4.16Å; F46-L62 CarbonylContact C-O 3.5Å; F46-L62 VanDerWaalsContact CA-O 3.26Å; F46-L62 WeakPolarHBondContact CA-O 3.16Å; F46-P63 HydrophobicContact CD1-CB 4.5Å; F46-P63 HydrophobicContact CD1-CG 4.4Å; F46-P63 HydrophobicContact CE1-CG 4.37Å; F46-W89 HydrophobicContact CB-CH2 3.56Å; F46-W89 HydrophobicContact CB-CZ2 3.47Å; F46-W89 VanDerWaalsContact CB-CZ2 3.47Å; F46-W89 AromaticContact CD2-CH2 3.73Å; F46-W89 HydrophobicContact CD2-CH2 3.73Å; F46-W89 HydrophobicContact CD2-CZ2 4.43Å; F46-W89 HydrophobicContact CD2-CZ3 4.03Å; F46-W89 AromaticContact CG-CH2 3.9Å; F46-W89 HydrophobicContact CG-CH2 3.9Å; F46-W89 HydrophobicContact CG-CZ2 4.32Å; F46-D94 VanDerWaalsContact CD2-O 3.31Å; F46-D94 WeakPolarHBondContact CD2-O 3.46Å; F46-D94 WeakPolarHBondContact CE2-O 3.22Å; F46-N95 WeakPolarHBondContact CE2-ND2 3.23Å; F46-I111 HydrophobicContact CD1-CG2 4.24Å; F46-I111 HydrophobicContact CD2-CG2 4.36Å; F46-I111 HydrophobicContact CE1-CG2 4Å; F46-I111 HydrophobicContact CE2-CG2 4.13Å; F46-I111 HydrophobicContact CG-CG2 4.42Å; F46-I111 HydrophobicContact CZ-CG2 3.93Å; F46-P112 WeakPolarHBondContact CZ-O 3.33Å |
| 47 | L | 97.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.4 | 164.4 | 170.8 | 64.3 | 0 | 0 | 0 | 108.4 | Y25 V42 V49 V61 L62 L64 Y336 C343 | Y25-L47 HydrophobicContact CD1-CD2 4.05Å; Y25-L47 HydrophobicContact CD2-CD2 3.57Å; Y25-L47 HydrophobicContact CE1-CD2 4.05Å; Y25-L47 HydrophobicContact CE2-CD2 3.62Å; Y25-L47 HydrophobicContact CG-CD2 3.81Å; V42-L47 HydrophobicContact CB-CD1 4.29Å; L47-V49 HydrophobicContact CD1-CG2 4.03Å; L47-V49 HydrophobicContact CD2-CG2 4.28Å; L47-V49 HydrophobicContact CG-CG2 3.95Å; L47-V61 CarbonylContact O-C 3.54Å; L47-V61 WeakPolarHBondContact O-CA 3.39Å; L47-L62 PolarHBondContact N-O 3.46Å; L47-L62 PolarHBondContact O-N 3.24Å; L47-L64 HydrophobicContact CB-CD2 4.05Å; L47-Y336 HydrophobicContact CD1-CD1 3.72Å; L47-Y336 HydrophobicContact CD1-CE1 4.37Å; L47-Y336 HydrophobicContact CD1-CG 4.21Å; L47-Y336 HydrophobicContact CD2-CD1 4.18Å; L47-Y336 HydrophobicContact CG-CD1 4.46Å; L47-C343 HydrophobicContact CD2-CB 4.2Å |
| 48 | A | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | C40 A41 L60 V61 I87 W89 L97 | C40-A48 WeakPolarHBondContact CA-O 3.4Å; A41-A48 PolarHBondContact N-O 2.75Å; A41-A48 WeakPolarHBondContact O-CA 3.31Å; A41-A48 WeakPolarHBondContact O-CB 3.46Å; A41-A48 PolarHBondContact O-N 3.31Å; A48-L60 CarbonylContact C-O 3.59Å; A48-L60 WeakPolarHBondContact CA-O 3.48Å; A48-V61 HydrophobicContact CB-CG2 4.17Å; A48-I87 HydrophobicContact CB-CD1 3.77Å; A48-W89 HydrophobicContact CB-CZ2 3.76Å; A48-L97 HydrophobicContact CB-CD1 3.59Å |
| 49 | V | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128.7 | -177.6 | -179.3 | 0 | 0 | 0 | 0 | 110 | I28 V30 L47 V51 F59 L60 L338 | I28-V49 HydrophobicContact CG2-CB 4.42Å; I28-V49 HydrophobicContact CG2-CG1 3.95Å; V30-V49 HydrophobicContact CG2-CG1 4.12Å; L47-V49 HydrophobicContact CD1-CG2 4.03Å; L47-V49 HydrophobicContact CD2-CG2 4.28Å; L47-V49 HydrophobicContact CG-CG2 3.95Å; V49-V51 PolarHBondContact O-N 2.85Å; V49-F59 CarbonylContact O-C 3.45Å; V49-F59 WeakPolarHBondContact O-CA 3.47Å; V49-F59 WeakPolarHBondContact O-CB 3.38Å; V49-L60 PolarHBondContact N-O 2.9Å; V49-L60 PolarHBondContact O-N 3.21Å; V49-L338 HydrophobicContact CG1-CD1 3.84Å; V49-L338 HydrophobicContact CG1-CD2 3.91Å; V49-L338 HydrophobicContact CG2-CD2 3.87Å |
| 50 | I | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 125.5 | 174.2 | -54.7 | -178.2 | 0 | 0 | 0 | 109.2 | S31 F39 V84 I87 | S31-I50 PolarHBondContact N-O 3.12Å; F39-I50 HydrophobicContact CB-CB 4.45Å; F39-I50 HydrophobicContact CD1-CD1 3.94Å; F39-I50 PolarHBondContact O-N 3.28Å; I50-V84 HydrophobicContact CD1-CG1 3.98Å; I50-V84 HydrophobicContact CG1-CG1 4.28Å; I50-V84 HydrophobicContact CG2-CB 4.04Å; I50-V84 WeakPolarHBondContact CG2-O 3.38Å; I50-I87 HydrophobicContact CD1-CG1 4.17Å; I50-I87 HydrophobicContact CD1-CG2 4.35Å; I50-I87 HydrophobicContact CG1-CD1 3.85Å; I50-I87 HydrophobicContact CG1-CG1 3.97Å; I50-I87 HydrophobicContact CG1-CG2 4.18Å |
| 51 | V | 95.5 | Very high | 93.4 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 158.4 | -174.7 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | I28 R29 V49 A58 L60 L76 | I28-V51 HydrophobicContact CG2-CG1 3.98Å; R29-V51 CarbonylContact O-C 3.51Å; R29-V51 WeakPolarHBondContact O-CA 3.05Å; R29-V51 WeakPolarHBondContact O-CB 3.25Å; V49-V51 PolarHBondContact O-N 2.85Å; V51-A58 HydrophobicContact CG2-CB 4.06Å; V51-A58 PolarHBondContact N-O 3.09Å; V51-L60 HydrophobicContact CG1-CB 3.78Å; V51-L76 HydrophobicContact CG2-CD1 3.87Å; V51-L76 HydrophobicContact CG2-CD2 4.15Å |
| 52 | E | 90.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 22.3 Ų | 22.3 | 33% | 0.327 | 15% | 0.154 | S | C | . | . | trans | -65.9 | 134 | 171.3 | -64.2 | -174.5 | 141.7 | 0 | 0 | 110.9 | R29 K32 | R29-E52 PolarHBondContact O-N 2.82Å; K32-E52 WeakPolarHBondContact CB-OE1 3.47Å; K32-E52 WeakPolarHBondContact CD-OE1 3.2Å; K32-E52 WeakPolarHBondContact CE-OE1 3.33Å; K32-E52 WeakPolarHBondContact CG-OE1 3.31Å; K32-E52 VanDerWaalsContact NZ-CD 3.25Å; K32-E52 IonicContact NZ-OE1 2.71Å; K32-E52 PolarHBondContact NZ-OE1 2.77Å; K32-E52 IonicContact NZ-OE2 2.86Å; K32-E52 PolarHBondContact NZ-OE2 3.1Å | ||
| 53 | S | 85.6 | Confident | 93.2 | Very high | 59 Ų | 59 | 22.7 Ų | 22.7 | 41% | 0.413 | 16% | 0.156 | S | C | . | . | trans | -132.4 | 139.9 | 173.2 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | G56 | S53-G56 WeakPolarHBondContact CB-O 3.24Š| ||
| 54 | S | 74.6 | Confident | 93 | Very high | 137 Ų | 137 | 24 Ų | 24 | 96% | 0.958 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -84.6 | -4.5 | -174.5 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 55 | G | 75.8 | Confident | 92.9 | Very high | 73 Ų | 73 | 28.4 Ų | 28.4 | 75% | 0.753 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -157.2 | 29.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 56 | G | 89.3 | Confident | 92.7 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 159.2 | -157.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S53 | S53-G56 WeakPolarHBondContact CB-O 3.24Š|
| 57 | G | 92.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | trans | -103.2 | 137.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H80 G82 | G57-H80 PolarHBondContact N-O 2.98Å; G57-G82 WeakPolarHBondContact CA-O 3.35Å; G57-G82 PolarHBondContact N-O 3.01Å | ||
| 58 | A | 95.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 152.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V51 L76 V77 I78 | V51-A58 HydrophobicContact CG2-CB 4.06Å; V51-A58 PolarHBondContact N-O 3.09Å; A58-L76 HydrophobicContact CB-CB 4.41Å; A58-L76 HydrophobicContact CB-CD1 4.09Å; A58-V77 VanDerWaalsContact CA-O 3.28Å; A58-V77 WeakPolarHBondContact CA-O 3.18Å; A58-I78 HydrophobicContact CB-CG2 4.12Å |
| 59 | F | 97.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.2 | 167.5 | 62 | -86.2 | 0 | 0 | 0 | 110 | V49 V61 V77 V84 I87 L97 W109 | V49-F59 CarbonylContact O-C 3.45Å; V49-F59 WeakPolarHBondContact O-CA 3.47Å; V49-F59 WeakPolarHBondContact O-CB 3.38Å; F59-V61 HydrophobicContact CD2-CG2 3.65Å; F59-V61 HydrophobicContact CE2-CG2 3.52Å; F59-V77 HydrophobicContact CD1-CB 4.1Å; F59-V77 HydrophobicContact CD1-CG1 4.41Å; F59-V77 HydrophobicContact CD2-CB 4.04Å; F59-V77 HydrophobicContact CD2-CG2 4.12Å; F59-V77 HydrophobicContact CE1-CB 3.68Å; F59-V77 HydrophobicContact CE1-CG1 3.56Å; F59-V77 HydrophobicContact CE2-CB 3.6Å; F59-V77 HydrophobicContact CE2-CG1 4.02Å; F59-V77 HydrophobicContact CE2-CG2 3.54Å; F59-V77 HydrophobicContact CG-CB 4.27Å; F59-V77 HydrophobicContact CZ-CB 3.41Å; F59-V77 VanDerWaalsContact CZ-CB 3.41Å; F59-V77 HydrophobicContact CZ-CG1 3.33Å; F59-V77 HydrophobicContact CZ-CG2 3.78Å; F59-V77 PolarHBondContact N-O 3Å; F59-V77 VanDerWaalsContact N-O 3.15Å; F59-V77 PolarHBondContact O-N 3.27Å; F59-V84 HydrophobicContact CD1-CG2 4.31Å; F59-I87 HydrophobicContact CD1-CG2 4.42Å; F59-I87 HydrophobicContact CG-CG2 4.37Å; F59-L97 HydrophobicContact CD2-CD2 4.43Å; F59-L97 HydrophobicContact CE1-CD2 4.34Å; F59-L97 HydrophobicContact CE2-CD1 4.34Å; F59-L97 HydrophobicContact CE2-CD2 3.54Å; F59-L97 HydrophobicContact CZ-CD2 3.48Å; F59-L97 VanDerWaalsContact CZ-CD2 3.48Å; F59-W109 AromaticContact CE1-NE1 3.78Å; F59-W109 AromaticContact CZ-CD1 3.71Å; F59-W109 HydrophobicContact CZ-CD2 4.38Å; F59-W109 HydrophobicContact CZ-CG 4.09Å; F59-W109 AromaticContact CZ-NE1 3.76Å |
| 60 | L | 96.7 | Very high | 92 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 137 | 177.5 | 172.7 | 64.9 | 0 | 0 | 0 | 108.7 | I28 A48 V49 V51 L62 V70 Y74 L76 | I28-L60 HydrophobicContact CB-CD2 4.43Å; I28-L60 HydrophobicContact CD1-CD2 3.97Å; I28-L60 HydrophobicContact CG1-CD2 3.83Å; I28-L60 HydrophobicContact CG2-CD2 3.87Å; A48-L60 CarbonylContact C-O 3.59Å; A48-L60 WeakPolarHBondContact CA-O 3.48Å; V49-L60 PolarHBondContact N-O 2.9Å; V49-L60 PolarHBondContact O-N 3.21Å; V51-L60 HydrophobicContact CG1-CB 3.78Å; L60-L62 HydrophobicContact CD1-CD1 4.47Å; L60-L62 HydrophobicContact CD1-CD2 4.15Å; L60-L62 HydrophobicContact CD1-CG 3.97Å; L60-L62 HydrophobicContact CD2-CD1 3.75Å; L60-L62 HydrophobicContact CD2-CG 4.09Å; L60-L62 HydrophobicContact CG-CD1 4.16Å; L60-L62 HydrophobicContact CG-CG 3.93Å; L60-V70 HydrophobicContact CD2-CG1 4.38Å; L60-Y74 HydrophobicContact CD1-CD1 3.29Å; L60-Y74 HydrophobicContact CD1-CE1 3.67Å; L60-Y74 HydrophobicContact CD1-CG 4.29Å; L60-L76 HydrophobicContact CB-CD2 3.89Å; L60-L76 HydrophobicContact CD1-CD2 3.8Å; L60-L76 HydrophobicContact CG-CD2 4.45Å |
| 61 | V | 97.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.8 | 169.5 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | F46 L47 A48 F59 Y74 V77 W89 I111 | F46-V61 HydrophobicContact CB-CG1 3.92Å; F46-V61 HydrophobicContact CD1-CG1 4.17Å; F46-V61 HydrophobicContact CG-CG1 4.16Å; L47-V61 CarbonylContact O-C 3.54Å; L47-V61 WeakPolarHBondContact O-CA 3.39Å; A48-V61 HydrophobicContact CB-CG2 4.17Å; F59-V61 HydrophobicContact CD2-CG2 3.65Å; F59-V61 HydrophobicContact CE2-CG2 3.52Å; V61-Y74 WeakPolarHBondContact O-CE1 3.33Å; V61-Y74 PolarHBondContact O-OH 2.76Å; V61-V77 HydrophobicContact CG2-CG2 3.87Å; V61-W89 HydrophobicContact CG1-CH2 3.89Å; V61-W89 HydrophobicContact CG1-CZ2 4.12Å; V61-I111 HydrophobicContact CG1-CG1 4.46Å; V61-I111 HydrophobicContact CG1-CG2 3.77Å; V61-I111 HydrophobicContact CG2-CD1 4.23Å |
| 62 | L | 95.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.4 | -179.1 | -71.9 | 171.3 | 0 | 0 | 0 | 110.4 | Y25 I28 F46 L47 L60 K66 V70 Y74 | Y25-L62 HydrophobicContact CD1-CD1 3.92Å; I28-L62 HydrophobicContact CD1-CD1 4.38Å; F46-L62 CarbonylContact C-O 3.5Å; F46-L62 VanDerWaalsContact CA-O 3.26Å; F46-L62 WeakPolarHBondContact CA-O 3.16Å; L47-L62 PolarHBondContact N-O 3.46Å; L47-L62 PolarHBondContact O-N 3.24Å; L60-L62 HydrophobicContact CD1-CD1 4.47Å; L60-L62 HydrophobicContact CD1-CD2 4.15Å; L60-L62 HydrophobicContact CD1-CG 3.97Å; L60-L62 HydrophobicContact CD2-CD1 3.75Å; L60-L62 HydrophobicContact CD2-CG 4.09Å; L60-L62 HydrophobicContact CG-CD1 4.16Å; L60-L62 HydrophobicContact CG-CG 3.93Å; L62-K66 HydrophobicContact CD2-CD 4.26Å; L62-V70 HydrophobicContact CD1-CG1 4.47Å; L62-V70 HydrophobicContact CD1-CG2 3.63Å; L62-V70 HydrophobicContact CD2-CG1 4.44Å; L62-Y74 HydrophobicContact CD2-CD1 4.04Å; L62-Y74 HydrophobicContact CD2-CD2 4.3Å; L62-Y74 HydrophobicContact CD2-CE1 3.59Å; L62-Y74 HydrophobicContact CD2-CE2 3.91Å; L62-Y74 HydrophobicContact CD2-CG 4.36Å; L62-Y74 HydrophobicContact CG-CE1 4.49Å |
| 63 | P | 95.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 139.7 | 163.9 | -22 | 33.5 | 0 | 0 | 0 | 110.6 | K45 F46 S65 K66 | K45-P63 WeakPolarHBondContact O-CA 3.33Å; F46-P63 HydrophobicContact CD1-CB 4.5Å; F46-P63 HydrophobicContact CD1-CG 4.4Å; F46-P63 HydrophobicContact CE1-CG 4.37Å; P63-S65 PolarHBondContact O-N 3.09Å; P63-S65 VanDerWaalsContact O-N 3.11Å; P63-K66 WeakPolarHBondContact O-CB 3.38Å; P63-K66 PolarHBondContact O-N 3.1Å |
| 64 | L | 94.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.9 | -178.8 | -68.7 | -176.7 | 0 | 0 | 0 | 113.8 | Y25 V42 N43 P44 K45 L47 K66 M320 Y336 | Y25-L64 WeakPolarHBondContact OH-CA 3.33Å; Y25-L64 PolarHBondContact OH-O 3.42Å; Y25-L64 VanDerWaalsContact OH-O 3.1Å; V42-L64 HydrophobicContact CG2-CD2 3.96Å; N43-L64 WeakPolarHBondContact O-CD1 3.34Å; P44-L64 WeakPolarHBondContact O-CD1 3.45Å; K45-L64 PolarHBondContact O-N 3.19Å; L47-L64 HydrophobicContact CB-CD2 4.05Å; L64-K66 PolarHBondContact O-N 3.48Å; L64-M320 HydrophobicContact CD1-CE 3.68Å; L64-M320 HydrophobicContact CD2-CE 4.38Å; L64-Y336 HydrophobicContact CD2-CE1 4.1Å |
| 65 | S | 92 | Very high | 92.7 | Very high | 111 Ų | 111 | 49.6 Ų | 49.6 | 78% | 0.776 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.3 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | P63 T67 | P63-S65 PolarHBondContact O-N 3.09Å; P63-S65 VanDerWaalsContact O-N 3.11Å; S65-T67 PolarHBondContact O-N 3.43Å |
| 66 | K | 92.4 | Very high | 93.6 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | trans | -93.1 | 68.9 | -176.8 | -168.6 | 170.1 | 176.7 | 153.3 | 0 | 111 | Y25 L62 P63 L64 Y74 | Y25-K66 WeakPolarHBondContact CD1-O 3.35Å; Y25-K66 WeakPolarHBondContact CE1-O 3.48Å; L62-K66 HydrophobicContact CD2-CD 4.26Å; P63-K66 WeakPolarHBondContact O-CB 3.38Å; P63-K66 PolarHBondContact O-N 3.1Å; L64-K66 PolarHBondContact O-N 3.48Å; K66-Y74 HydrophobicContact CD-CE2 4.17Å | ||
| 67 | T | 93.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | trans | -84.2 | 169.9 | 175.2 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | E22 Q23 Y25 S65 | E22-T67 WeakPolarHBondContact O-CB 3.45Å; E22-T67 PolarHBondContact O-OG1 3.33Å; Q23-T67 WeakPolarHBondContact O-CG2 3.38Å; Y25-T67 HydrophobicContact CE1-CG2 4.18Å; S65-T67 PolarHBondContact O-N 3.43Å | ||
| 68 | G | 93.6 | Very high | 94 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.4 | -153.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | G24 Y25 D26 V70 | G24-G68 PolarHBondContact O-N 2.94Å; Y25-G68 WeakPolarHBondContact CA-O 3.24Å; D26-G68 PolarHBondContact N-O 2.99Å; G68-V70 PolarHBondContact O-N 3.33Å |
| 69 | R | 93.9 | Very high | 93.8 | Very high | 181 Ų | 181 | 51.7 Ų | 51.7 | 68% | 0.683 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 121.2 | -175 | -169.8 | -176.1 | -173.5 | -173.6 | 6.7 | 111.6 | D27 | D27-R69 HydrophobicContact CB-CG 4.16Å; D27-R69 IonicContact OD2-CZ 2.98Å; D27-R69 VanDerWaalsContact OD2-CZ 3.23Å; D27-R69 IonicContact OD2-NE 3.32Å; D27-R69 PolarHBondContact OD2-NE 3.4Å; D27-R69 IonicContact OD2-NH2 3.95Å; D27-R69 PolarHBondContact OD2-NH2 3Å |
| 70 | V | 93.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 133.6 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | D26 I28 L60 L62 G68 Y74 | D26-V70 WeakPolarHBondContact O-CB 3.17Å; D26-V70 WeakPolarHBondContact O-CG2 3.47Å; D26-V70 PolarHBondContact O-N 3.44Å; I28-V70 HydrophobicContact CD1-CG2 4.32Å; I28-V70 HydrophobicContact CG1-CB 4.45Å; I28-V70 HydrophobicContact CG1-CG2 3.87Å; L60-V70 HydrophobicContact CD2-CG1 4.38Å; L62-V70 HydrophobicContact CD1-CG1 4.47Å; L62-V70 HydrophobicContact CD1-CG2 3.63Å; L62-V70 HydrophobicContact CD2-CG1 4.44Å; G68-V70 PolarHBondContact O-N 3.33Å; V70-Y74 HydrophobicContact CG1-CG 4.2Å |
| 71 | D | 91.6 | Very high | 93.7 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 138.5 | 176.3 | -166.2 | -67.4 | 0 | 0 | 0 | 110.4 | N73 Y74 | D71-N73 PolarHBondContact O-N 3.06Å; D71-N73 WeakPolarHBondContact OD1-CA 3.47Å; D71-N73 WeakPolarHBondContact OD1-CB 3.4Å; D71-N73 PolarHBondContact OD1-N 3.27Å; D71-Y74 WeakPolarHBondContact O-CB 3.26Å; D71-Y74 PolarHBondContact O-N 2.7Å |
| 72 | K | 88.4 | Confident | 93.6 | Very high | 140 Ų | 140 | 56.8 Ų | 56.8 | 61% | 0.609 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26 | 179.5 | -68 | -177.7 | 179.4 | 179.7 | 0 | 113.3 | ||
| 73 | N | 90.2 | Very high | 93.7 | Very high | 145 Ų | 145 | 58.8 Ų | 58.8 | 78% | 0.775 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 12.6 | 178.4 | -59.2 | -25.7 | 0 | 0 | 0 | 111.8 | D71 | D71-N73 PolarHBondContact O-N 3.06Å; D71-N73 WeakPolarHBondContact OD1-CA 3.47Å; D71-N73 WeakPolarHBondContact OD1-CB 3.4Å; D71-N73 PolarHBondContact OD1-N 3.27Å |
| 74 | Y | 92.8 | Very high | 93.8 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 8% | 0.078 | 32% | 0.323 | C | S | . | . | trans | -58.2 | 130.3 | 175 | -169.8 | -88.9 | 0 | 0 | 0 | 109.5 | L60 V61 L62 K66 V70 D71 | L60-Y74 HydrophobicContact CD1-CD1 3.29Å; L60-Y74 HydrophobicContact CD1-CE1 3.67Å; L60-Y74 HydrophobicContact CD1-CG 4.29Å; V61-Y74 WeakPolarHBondContact O-CE1 3.33Å; V61-Y74 PolarHBondContact O-OH 2.76Å; L62-Y74 HydrophobicContact CD2-CD1 4.04Å; L62-Y74 HydrophobicContact CD2-CD2 4.3Å; L62-Y74 HydrophobicContact CD2-CE1 3.59Å; L62-Y74 HydrophobicContact CD2-CE2 3.91Å; L62-Y74 HydrophobicContact CD2-CG 4.36Å; L62-Y74 HydrophobicContact CG-CE1 4.49Å; K66-Y74 HydrophobicContact CD-CE2 4.17Å; V70-Y74 HydrophobicContact CG1-CG 4.2Å; D71-Y74 WeakPolarHBondContact O-CB 3.26Å; D71-Y74 PolarHBondContact O-N 2.7Å | ||
| 75 | P | 93.9 | Very high | 94 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | trans | -63.8 | 139.2 | -176.4 | 21.1 | -30.1 | 0 | 0 | 0 | 111.9 | L116 R118 P119 | P75-L116 HydrophobicContact CB-CB 4.07Å; P75-L116 VanDerWaalsContact CG-C 3.41Å; P75-L116 HydrophobicContact CG-CB 3.53Å; P75-L116 WeakPolarHBondContact CG-O 3.42Å; P75-R118 WeakPolarHBondContact CB-O 3.37Å; P75-P119 HydrophobicContact CB-CG 4.34Å | ||
| 76 | L | 95.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | trans | -107.5 | 162.6 | -179.1 | -57.1 | 177.5 | 0 | 0 | 0 | 110.3 | V51 A58 L60 I78 P119 L120 | V51-L76 HydrophobicContact CG2-CD1 3.87Å; V51-L76 HydrophobicContact CG2-CD2 4.15Å; A58-L76 HydrophobicContact CB-CB 4.41Å; A58-L76 HydrophobicContact CB-CD1 4.09Å; L60-L76 HydrophobicContact CB-CD2 3.89Å; L60-L76 HydrophobicContact CD1-CD2 3.8Å; L60-L76 HydrophobicContact CG-CD2 4.45Å; L76-I78 HydrophobicContact CB-CG2 4.06Å; L76-P119 CarbonylContact O-C 3.36Å; L76-P119 WeakPolarHBondContact O-CA 3.34Å; L76-P119 WeakPolarHBondContact O-CB 3.02Å; L76-L120 PolarHBondContact O-N 2.99Å | ||
| 77 | V | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 119.9 | 161.5 | -171.7 | 0 | 0 | 0 | 0 | 107.3 | A58 F59 V61 W109 I111 L116 L120 | A58-V77 VanDerWaalsContact CA-O 3.28Å; A58-V77 WeakPolarHBondContact CA-O 3.18Å; F59-V77 HydrophobicContact CD1-CB 4.1Å; F59-V77 HydrophobicContact CD1-CG1 4.41Å; F59-V77 HydrophobicContact CD2-CB 4.04Å; F59-V77 HydrophobicContact CD2-CG2 4.12Å; F59-V77 HydrophobicContact CE1-CB 3.68Å; F59-V77 HydrophobicContact CE1-CG1 3.56Å; F59-V77 HydrophobicContact CE2-CB 3.6Å; F59-V77 HydrophobicContact CE2-CG1 4.02Å; F59-V77 HydrophobicContact CE2-CG2 3.54Å; F59-V77 HydrophobicContact CG-CB 4.27Å; F59-V77 HydrophobicContact CZ-CB 3.41Å; F59-V77 VanDerWaalsContact CZ-CB 3.41Å; F59-V77 HydrophobicContact CZ-CG1 3.33Å; F59-V77 HydrophobicContact CZ-CG2 3.78Å; F59-V77 PolarHBondContact N-O 3Å; F59-V77 VanDerWaalsContact N-O 3.15Å; F59-V77 PolarHBondContact O-N 3.27Å; V61-V77 HydrophobicContact CG2-CG2 3.87Å; V77-W109 HydrophobicContact CG1-CD2 3.52Å; V77-W109 HydrophobicContact CG1-CE3 3.46Å; V77-W109 VanDerWaalsContact CG1-CE3 3.46Å; V77-W109 HydrophobicContact CG1-CG 4.15Å; V77-W109 HydrophobicContact CG1-CH2 3.94Å; V77-W109 HydrophobicContact CG1-CZ2 3.99Å; V77-W109 HydrophobicContact CG1-CZ3 3.67Å; V77-I111 HydrophobicContact CG2-CD1 4.2Å; V77-L116 HydrophobicContact CG2-CD1 4.39Å; V77-L120 WeakPolarHBondContact CA-O 3.14Å; V77-L120 HydrophobicContact CG1-CB 4.28Å; V77-L120 HydrophobicContact CG1-CD2 4.22Å; V77-L120 HydrophobicContact CG1-CG 4.42Å; V77-L120 HydrophobicContact CG2-CB 4.21Å; V77-L120 HydrophobicContact CG2-CD2 4.2Å |
| 78 | I | 94.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 33% | 0.333 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 160 | -176.8 | 61.9 | 172.4 | 0 | 0 | 0 | 107.9 | A58 L76 W109 P119 L120 S121 | A58-I78 HydrophobicContact CB-CG2 4.12Å; L76-I78 HydrophobicContact CB-CG2 4.06Å; I78-W109 VanDerWaalsContact O-CH2 3.26Å; I78-W109 WeakPolarHBondContact O-CH2 3.34Å; I78-P119 HydrophobicContact CD1-CB 3.64Å; I78-P119 HydrophobicContact CG1-CB 3.94Å; I78-L120 PolarHBondContact N-O 3.31Å; I78-S121 VanDerWaalsContact O-CA 3.23Å; I78-S121 WeakPolarHBondContact O-CA 3.18Å |
| 79 | G | 91.8 | Very high | 95 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 43% | 0.433 | 26% | 0.256 | S | S | . | . | trans | 145.2 | -30.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 80 | H | 96.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -64.4 | 136.8 | 166.2 | -79.1 | -62.5 | 0 | 0 | 0 | 111.4 | G57 V84 S99 S101 D103 T105 | G57-H80 PolarHBondContact N-O 2.98Å; H80-V84 HydrophobicContact CB-CG2 4.27Å; H80-S99 PolarHBondContact CD2-OG 2.79Å; H80-S99 PolarHBondContact NE2-OG 2.97Å; H80-S101 VanDerWaalsContact CE1-CB 3.47Å; H80-S101 WeakPolarHBondContact CE1-CB 3.44Å; H80-S101 WeakPolarHBondContact ND1-CB 3.2Å; H80-D103 WeakPolarHBondContact CA-OD2 3.38Å; H80-D103 VanDerWaalsContact CB-OD2 3.26Å; H80-D103 WeakPolarHBondContact CB-OD2 3.43Å; H80-D103 IonicContact CG-OD2 3.05Å; H80-D103 IonicContact ND1-OD1 2.78Å; H80-D103 PolarHBondContact ND1-OD1 2.96Å; H80-D103 IonicContact ND1-OD2 3.51Å; H80-D103 PolarHBondContact ND1-OD2 3.47Å; H80-T105 PolarHBondContact CE1-OG1 2.94Å; H80-T105 PolarHBondContact ND1-OG1 3.2Å | ||
| 81 | S | 95.3 | Very high | 95.2 | Very high | 99 Ų | 99 | 41 Ų | 41 | 69% | 0.692 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -88.6 | -11.1 | 178.9 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | D103 | S81-D103 PolarHBondContact N-OD2 3.27Å; S81-D103 WeakPolarHBondContact OG-CB 3.44Å |
| 82 | G | 95.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -128.1 | 168.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | G57 V84 S101 | G57-G82 WeakPolarHBondContact CA-O 3.35Å; G57-G82 PolarHBondContact N-O 3.01Å; G82-V84 PolarHBondContact O-N 3.08Å; G82-S101 PolarHBondContact O-OG 2.79Å |
| 83 | P | 96.8 | Very high | 95.6 | Very high | 42 Ų | 42 | 31.1 Ų | 31.1 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | trans | -52.8 | 136.4 | 177.5 | -27.3 | 33.2 | 0 | 0 | 0 | 113.7 | V33 S101 E102 | V33-P83 HydrophobicContact CG2-CB 3.9Å; V33-P83 HydrophobicContact CG2-CG 4.41Å; P83-S101 WeakPolarHBondContact O-CA 3.4Å; P83-S101 PolarHBondContact O-OG 3.42Å; P83-E102 HydrophobicContact CB-CG 4.33Å; P83-E102 WeakPolarHBondContact CD-OE2 3.48Å; P83-E102 WeakPolarHBondContact CG-OE2 3.36Å; P83-E102 PolarHBondContact O-N 3.02Å | ||
| 84 | V | 98 | Very high | 95.9 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.5 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | I50 F59 H80 G82 I87 C100 | I50-V84 HydrophobicContact CD1-CG1 3.98Å; I50-V84 HydrophobicContact CG1-CG1 4.28Å; I50-V84 HydrophobicContact CG2-CB 4.04Å; I50-V84 WeakPolarHBondContact CG2-O 3.38Å; F59-V84 HydrophobicContact CD1-CG2 4.31Å; H80-V84 HydrophobicContact CB-CG2 4.27Å; G82-V84 PolarHBondContact O-N 3.08Å; V84-I87 HydrophobicContact CG1-CG2 3.86Å; V84-C100 CarbonylContact C-O 3.5Å; V84-C100 WeakPolarHBondContact CA-O 3.29Å; V84-C100 WeakPolarHBondContact CG1-O 3.34Å |
| 85 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -33.9 | -175.8 | -64.7 | -174.8 | 0 | 0 | 0 | 112.3 | V33 W35 S37 C100 E102 R133 V134 | V33-L85 HydrophobicContact CG1-CD2 3.89Å; W35-L85 HydrophobicContact CB-CD2 4.19Å; W35-L85 HydrophobicContact CD2-CD1 4.24Å; W35-L85 HydrophobicContact CD2-CD2 4.21Å; W35-L85 HydrophobicContact CE3-CD1 4.41Å; W35-L85 HydrophobicContact CG-CB 4.31Å; W35-L85 HydrophobicContact CG-CD2 4.04Å; W35-L85 HydrophobicContact CZ2-CD1 4.46Å; S37-L85 WeakPolarHBondContact CB-O 3.4Å; S37-L85 PolarHBondContact OG-O 2.95Å; L85-C100 PolarHBondContact N-O 2.87Å; L85-E102 HydrophobicContact CD1-CG 3.84Å; L85-E102 HydrophobicContact CD2-CG 3.85Å; L85-E102 HydrophobicContact CG-CG 3.91Å; L85-R133 HydrophobicContact CD1-CB 4Å; L85-R133 HydrophobicContact CD1-CG 4.08Å; L85-V134 WeakPolarHBondContact CD1-O 3.43Å |
| 86 | D | 98.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 23 Ų | 23 | 12% | 0.118 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 155.3 | 179.4 | -153.9 | 13.2 | 0 | 0 | 0 | 111.6 | S37 S99 C100 V137 | S37-D86 WeakPolarHBondContact CB-OD1 3.36Å; D86-S99 WeakPolarHBondContact O-CA 3.36Å; D86-C100 WeakPolarHBondContact CB-SG 3.46Å; D86-C100 PolarHBondContact N-O 2.99Å; D86-C100 PolarHBondContact O-N 3.01Å; D86-V137 HydrophobicContact CB-CG1 4.1Å; D86-V137 PolarHBondContact OD2-N 3.13Å |
| 87 | I | 98.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 138.2 | 179.3 | 50.9 | 171.5 | 0 | 0 | 0 | 109.8 | A41 A48 I50 F59 V84 L97 A98 | A41-I87 HydrophobicContact CB-CB 4.48Å; A41-I87 HydrophobicContact CB-CD1 3.96Å; A41-I87 HydrophobicContact CB-CG1 3.87Å; A48-I87 HydrophobicContact CB-CD1 3.77Å; I50-I87 HydrophobicContact CD1-CG1 4.17Å; I50-I87 HydrophobicContact CD1-CG2 4.35Å; I50-I87 HydrophobicContact CG1-CD1 3.85Å; I50-I87 HydrophobicContact CG1-CG1 3.97Å; I50-I87 HydrophobicContact CG1-CG2 4.18Å; F59-I87 HydrophobicContact CD1-CG2 4.42Å; F59-I87 HydrophobicContact CG-CG2 4.37Å; V84-I87 HydrophobicContact CG1-CG2 3.86Å; I87-L97 HydrophobicContact CB-CD2 4.37Å; I87-L97 HydrophobicContact CG2-CD2 4.22Å; I87-A98 CarbonylContact C-O 3.56Å; I87-A98 VanDerWaalsContact CA-O 3.3Å; I87-A98 WeakPolarHBondContact CA-O 3.19Å |
| 88 | D | 98.5 | Very high | 96.3 | Very high | 47 Ų | 47 | 21.3 Ų | 21.3 | 25% | 0.251 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 135 | 178.6 | -166.2 | 22.7 | 0 | 0 | 0 | 111.9 | A98 V137 T138 W139 | D88-A98 PolarHBondContact N-O 2.87Å; D88-A98 PolarHBondContact O-N 2.83Å; D88-V137 HydrophobicContact CB-CG1 4.09Å; D88-T138 WeakPolarHBondContact OD2-CA 3.23Å; D88-W139 PolarHBondContact O-NE1 2.85Å; D88-W139 VanDerWaalsContact O-NE1 3.08Å; D88-W139 PolarHBondContact OD2-N 2.87Å; D88-W139 VanDerWaalsContact OD2-N 3.1Å |
| 89 | W | 98.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 140.4 | 178.1 | -73 | 104.6 | 0 | 0 | 0 | 109.9 | A41 N43 F46 A48 V61 L97 I111 W139 | A41-W89 VanDerWaalsContact C-NE1 3.26Å; A41-W89 PolarHBondContact O-NE1 2.86Å; N43-W89 HydrophobicContact CB-CB 4.2Å; N43-W89 HydrophobicContact CB-CD2 4.19Å; N43-W89 HydrophobicContact CB-CG 3.88Å; N43-W89 VanDerWaalsContact ND2-CD2 3.32Å; F46-W89 HydrophobicContact CB-CH2 3.56Å; F46-W89 HydrophobicContact CB-CZ2 3.47Å; F46-W89 VanDerWaalsContact CB-CZ2 3.47Å; F46-W89 AromaticContact CD2-CH2 3.73Å; F46-W89 HydrophobicContact CD2-CH2 3.73Å; F46-W89 HydrophobicContact CD2-CZ2 4.43Å; F46-W89 HydrophobicContact CD2-CZ3 4.03Å; F46-W89 AromaticContact CG-CH2 3.9Å; F46-W89 HydrophobicContact CG-CH2 3.9Å; F46-W89 HydrophobicContact CG-CZ2 4.32Å; A48-W89 HydrophobicContact CB-CZ2 3.76Å; V61-W89 HydrophobicContact CG1-CH2 3.89Å; V61-W89 HydrophobicContact CG1-CZ2 4.12Å; W89-L97 HydrophobicContact CD2-CB 4.16Å; W89-L97 HydrophobicContact CD2-CD1 3.75Å; W89-L97 HydrophobicContact CD2-CG 4.39Å; W89-L97 HydrophobicContact CE3-CB 3.69Å; W89-L97 HydrophobicContact CE3-CD1 4.08Å; W89-L97 HydrophobicContact CE3-CG 4.4Å; W89-L97 HydrophobicContact CG-CD1 4.34Å; W89-L97 HydrophobicContact CH2-CB 4.24Å; W89-L97 HydrophobicContact CH2-CD1 3.96Å; W89-L97 HydrophobicContact CZ2-CD1 3.62Å; W89-L97 HydrophobicContact CZ3-CB 3.74Å; W89-L97 HydrophobicContact CZ3-CD1 4.18Å; W89-I111 HydrophobicContact CH2-CB 4.41Å; W89-I111 HydrophobicContact CH2-CG1 3.86Å; W89-I111 HydrophobicContact CZ3-CB 4.42Å; W89-I111 HydrophobicContact CZ3-CG1 3.89Å; W89-W139 VanDerWaalsContact C-CD1 3.46Å |
| 90 | C | 97 | Very high | 96.8 | Very high | 5 Ų | 5 | 16.2 Ų | 16.2 | 3% | 0.034 | 10% | 0.1 | C | C | . | . | trans | -63.1 | 126.8 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | H92 D93 I96 W139 | C90-H92 PolarHBondContact O-N 2.93Å; C90-H92 PolarHBondContact SG-N 3.42Å; C90-D93 PolarHBondContact O-N 3.42Å; C90-I96 HydrophobicContact CB-CB 3.72Å; C90-I96 HydrophobicContact CB-CG2 3.85Å; C90-I96 WeakPolarHBondContact CB-O 3.41Å; C90-I96 PolarHBondContact N-O 3.13Å; C90-W139 HydrophobicContact CB-CD2 4.03Å; C90-W139 HydrophobicContact CB-CE3 4.42Å; C90-W139 HydrophobicContact CB-CG 4.49Å; C90-W139 HydrophobicContact CB-CH2 4.41Å; C90-W139 HydrophobicContact CB-CZ2 4.03Å | ||
| 91 | P | 95.3 | Very high | 96.9 | Very high | 43 Ų | 43 | 15.9 Ų | 15.9 | 28% | 0.279 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.8 | 178.6 | 25.1 | -33 | 0 | 0 | 0 | 111.9 | W139 H140 R323 | P91-W139 HydrophobicContact CG-CB 4.06Å; P91-H140 WeakPolarHBondContact CG-O 3.46Å; P91-R323 PolarHBondContact O-NH2 2.93Å |
| 92 | H | 94.6 | Very high | 97 | Very high | 19 Ų | 19 | 14.3 Ų | 14.3 | 9% | 0.088 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -11.1 | -173.5 | -48.8 | -51.6 | 0 | 0 | 0 | 115.1 | C90 H140 P141 P368 | C90-H92 PolarHBondContact O-N 2.93Å; C90-H92 PolarHBondContact SG-N 3.42Å; H92-H140 PolarHBondContact NE2-O 2.88Å; H92-P141 PolarHBondContact CE1-O 3.05Å; H92-P368 CarbonylContact C-O 3.58Å; H92-P368 WeakPolarHBondContact CA-O 3.11Å; H92-P368 WeakPolarHBondContact CB-O 3.48Å |
| 93 | D | 94.1 | Very high | 97 | Very high | 13 Ų | 13 | 15.2 Ų | 15.2 | 7% | 0.07 | 8% | 0.083 | C | C | . | . | trans | -148.7 | 113.5 | 177.1 | -166.6 | -36.5 | 0 | 0 | 0 | 110.3 | C90 N95 I96 | C90-D93 PolarHBondContact O-N 3.42Å; D93-N95 PolarHBondContact O-N 3.28Å; D93-N95 WeakPolarHBondContact OD1-CB 3.42Å; D93-N95 PolarHBondContact OD1-N 2.8Å; D93-I96 HydrophobicContact CB-CB 4.18Å; D93-I96 HydrophobicContact CB-CG1 3.76Å; D93-I96 PolarHBondContact O-N 3.05Å; D93-I96 VanDerWaalsContact O-N 3.11Å | ||
| 94 | D | 95.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -2.2 | -176.8 | -66 | -27.7 | 0 | 0 | 0 | 113.3 | N43 K45 F46 R323 Y394 P397 | N43-D94 VanDerWaalsContact ND2-C 3.34Å; N43-D94 VanDerWaalsContact ND2-CA 3.33Å; N43-D94 WeakPolarHBondContact ND2-CA 3.46Å; N43-D94 PolarHBondContact ND2-O 2.88Å; K45-D94 HydrophobicContact CD-CB 3.64Å; K45-D94 HydrophobicContact CG-CB 4.17Å; F46-D94 VanDerWaalsContact CD2-O 3.31Å; F46-D94 WeakPolarHBondContact CD2-O 3.46Å; F46-D94 WeakPolarHBondContact CE2-O 3.22Å; D94-R323 VanDerWaalsContact CG-NH1 3.35Å; D94-R323 IonicContact OD1-CZ 3.33Å; D94-R323 IonicContact OD1-NH1 3.2Å; D94-R323 PolarHBondContact OD1-NH1 2.88Å; D94-R323 IonicContact OD1-NH2 2.88Å; D94-R323 PolarHBondContact OD1-NH2 2.82Å; D94-R323 IonicContact OD2-CZ 2.94Å; D94-R323 IonicContact OD2-NH1 3.3Å; D94-R323 PolarHBondContact OD2-NH1 3.06Å; D94-R323 IonicContact OD2-NH2 3.93Å; D94-Y394 WeakPolarHBondContact OD2-CE2 3.48Å; D94-Y394 PolarHBondContact OD2-OH 2.84Å; D94-P397 HydrophobicContact CB-CG 4.15Å; D94-P397 WeakPolarHBondContact OD2-CD 3.46Å; D94-P397 WeakPolarHBondContact OD2-CG 3.41Å |
| 95 | N | 95.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 15.7 Ų | 15.7 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -0.8 | 175.2 | -70.9 | 87.9 | 0 | 0 | 0 | 113.2 | K45 F46 D93 I111 D113 | K45-N95 PolarHBondContact NZ-OD1 3.04Å; F46-N95 WeakPolarHBondContact CE2-ND2 3.23Å; D93-N95 PolarHBondContact O-N 3.28Å; D93-N95 WeakPolarHBondContact OD1-CB 3.42Å; D93-N95 PolarHBondContact OD1-N 2.8Å; N95-I111 WeakPolarHBondContact CB-O 3.38Å; N95-I111 PolarHBondContact ND2-O 3.15Å; N95-I111 PolarHBondContact O-N 2.9Å; N95-D113 PolarHBondContact ND2-OD1 3.37Å; N95-D113 PolarHBondContact OD1-OD1 2.82Å |
| 96 | I | 96.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.9 | 179.6 | -59.9 | -65.8 | 0 | 0 | 0 | 110.2 | C90 D93 V108 W109 Q110 I124 W139 L402 | C90-I96 HydrophobicContact CB-CB 3.72Å; C90-I96 HydrophobicContact CB-CG2 3.85Å; C90-I96 WeakPolarHBondContact CB-O 3.41Å; C90-I96 PolarHBondContact N-O 3.13Å; D93-I96 HydrophobicContact CB-CB 4.18Å; D93-I96 HydrophobicContact CB-CG1 3.76Å; D93-I96 PolarHBondContact O-N 3.05Å; D93-I96 VanDerWaalsContact O-N 3.11Å; I96-V108 HydrophobicContact CG2-CG1 3.6Å; I96-W109 WeakPolarHBondContact CA-O 3.14Å; I96-Q110 HydrophobicContact CD1-CB 4.45Å; I96-I124 HydrophobicContact CD1-CD1 3.49Å; I96-I124 VanDerWaalsContact CD1-CD1 3.49Å; I96-W139 HydrophobicContact CG2-CH2 3.84Å; I96-W139 HydrophobicContact CG2-CZ2 3.69Å; I96-L402 HydrophobicContact CD1-CB 3.78Å; I96-L402 HydrophobicContact CD1-CD2 4.15Å; I96-L402 HydrophobicContact CG1-CB 4.47Å; I96-L402 HydrophobicContact CG2-CD2 4.48Å |
| 97 | L | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.7 | 175.3 | 179.8 | 144.8 | 0 | 0 | 0 | 110.1 | A48 F59 I87 W89 V108 W109 | A48-L97 HydrophobicContact CB-CD1 3.59Å; F59-L97 HydrophobicContact CD2-CD2 4.43Å; F59-L97 HydrophobicContact CE1-CD2 4.34Å; F59-L97 HydrophobicContact CE2-CD1 4.34Å; F59-L97 HydrophobicContact CE2-CD2 3.54Å; F59-L97 HydrophobicContact CZ-CD2 3.48Å; F59-L97 VanDerWaalsContact CZ-CD2 3.48Å; I87-L97 HydrophobicContact CB-CD2 4.37Å; I87-L97 HydrophobicContact CG2-CD2 4.22Å; W89-L97 HydrophobicContact CD2-CB 4.16Å; W89-L97 HydrophobicContact CD2-CD1 3.75Å; W89-L97 HydrophobicContact CD2-CG 4.39Å; W89-L97 HydrophobicContact CE3-CB 3.69Å; W89-L97 HydrophobicContact CE3-CD1 4.08Å; W89-L97 HydrophobicContact CE3-CG 4.4Å; W89-L97 HydrophobicContact CG-CD1 4.34Å; W89-L97 HydrophobicContact CH2-CB 4.24Å; W89-L97 HydrophobicContact CH2-CD1 3.96Å; W89-L97 HydrophobicContact CZ2-CD1 3.62Å; W89-L97 HydrophobicContact CZ3-CB 3.74Å; W89-L97 HydrophobicContact CZ3-CD1 4.18Å; L97-V108 WeakPolarHBondContact O-CA 3.3Å; L97-W109 PolarHBondContact N-O 3.01Å; L97-W109 VanDerWaalsContact N-O 3.14Å; L97-W109 PolarHBondContact O-N 3.11Å |
| 98 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I87 D88 M107 V108 V137 W139 L147 | I87-A98 CarbonylContact C-O 3.56Å; I87-A98 VanDerWaalsContact CA-O 3.3Å; I87-A98 WeakPolarHBondContact CA-O 3.19Å; D88-A98 PolarHBondContact N-O 2.87Å; D88-A98 PolarHBondContact O-N 2.83Å; A98-M107 CarbonylContact C-O 3.58Å; A98-M107 WeakPolarHBondContact CA-O 3.49Å; A98-V108 HydrophobicContact CB-CG2 4.28Å; A98-V137 HydrophobicContact CB-CG2 3.68Å; A98-W139 HydrophobicContact CB-CZ2 3.81Å; A98-L147 HydrophobicContact CB-CD1 4.04Å; A98-L147 HydrophobicContact CB-CD2 3.82Å |
| 99 | S | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.9 | 172.7 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | H80 D86 A106 M107 W109 | H80-S99 PolarHBondContact CD2-OG 2.79Å; H80-S99 PolarHBondContact NE2-OG 2.97Å; D86-S99 WeakPolarHBondContact O-CA 3.36Å; S99-A106 CarbonylContact O-C 3.55Å; S99-A106 VanDerWaalsContact O-CA 3.23Å; S99-A106 WeakPolarHBondContact O-CA 3.46Å; S99-M107 PolarHBondContact N-O 2.7Å; S99-M107 PolarHBondContact O-N 2.71Å; S99-W109 PolarHBondContact OG-NE1 3.15Å |
| 100 | C | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 153.6 | 173.9 | 75.8 | 0 | 0 | 0 | 0 | 111.6 | V84 L85 D86 A106 V134 V137 | V84-C100 CarbonylContact C-O 3.5Å; V84-C100 WeakPolarHBondContact CA-O 3.29Å; V84-C100 WeakPolarHBondContact CG1-O 3.34Å; L85-C100 PolarHBondContact N-O 2.87Å; D86-C100 WeakPolarHBondContact CB-SG 3.46Å; D86-C100 PolarHBondContact N-O 2.99Å; D86-C100 PolarHBondContact O-N 3.01Å; C100-A106 HydrophobicContact CB-CB 4.23Å; C100-V134 CarbonylContact C-O 3.57Å; C100-V134 HydrophobicContact CB-CB 3.82Å; C100-V134 HydrophobicContact CB-CG1 3.55Å; C100-V134 VanDerWaalsContact SG-C 3.58Å; C100-V134 PolarHBondContact SG-O 3.21Å; C100-V137 HydrophobicContact CB-CB 4.26Å |
| 101 | S | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 164.2 | -162 | 170 | 0 | 0 | 0 | 0 | 114.2 | H80 G82 P83 D103 C104 T105 V134 | H80-S101 VanDerWaalsContact CE1-CB 3.47Å; H80-S101 WeakPolarHBondContact CE1-CB 3.44Å; H80-S101 WeakPolarHBondContact ND1-CB 3.2Å; G82-S101 PolarHBondContact O-OG 2.79Å; P83-S101 WeakPolarHBondContact O-CA 3.4Å; P83-S101 PolarHBondContact O-OG 3.42Å; S101-D103 VanDerWaalsContact CB-OD1 3.26Å; S101-D103 WeakPolarHBondContact CB-OD1 3.36Å; S101-D103 PolarHBondContact O-N 2.8Å; S101-D103 PolarHBondContact OG-N 2.92Å; S101-D103 VanDerWaalsContact OG-N 3.16Å; S101-D103 PolarHBondContact OG-OD1 2.93Å; S101-D103 PolarHBondContact OG-OD2 3.08Å; S101-C104 PolarHBondContact O-N 3.44Å; S101-T105 PolarHBondContact N-O 2.96Å; S101-V134 PolarHBondContact N-O 2.85Å; S101-V134 PolarHBondContact O-N 2.82Å |
| 102 | E | 97 | Very high | 96.7 | Very high | 67 Ų | 67 | 14.7 Ų | 14.7 | 31% | 0.313 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.2 | 168.2 | -67.9 | -163 | 151.8 | 0 | 0 | 114.4 | P83 L85 C104 R133 | P83-E102 HydrophobicContact CB-CG 4.33Å; P83-E102 WeakPolarHBondContact CD-OE2 3.48Å; P83-E102 WeakPolarHBondContact CG-OE2 3.36Å; P83-E102 PolarHBondContact O-N 3.02Å; L85-E102 HydrophobicContact CD1-CG 3.84Å; L85-E102 HydrophobicContact CD2-CG 3.85Å; L85-E102 HydrophobicContact CG-CG 3.91Å; E102-C104 PolarHBondContact O-N 3.46Å; E102-R133 HydrophobicContact CB-CB 4.33Å; E102-R133 HydrophobicContact CG-CB 4.27Å; E102-R133 IonicContact OE1-CZ 3.31Å; E102-R133 IonicContact OE1-NH1 3.06Å; E102-R133 PolarHBondContact OE1-NH1 3Å |
| 103 | D | 96.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 18.4 Ų | 18.4 | 16% | 0.155 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 8.5 | 174.9 | 63.1 | 27.6 | 0 | 0 | 0 | 114.9 | H80 S81 S101 T105 | H80-D103 WeakPolarHBondContact CA-OD2 3.38Å; H80-D103 VanDerWaalsContact CB-OD2 3.26Å; H80-D103 WeakPolarHBondContact CB-OD2 3.43Å; H80-D103 IonicContact CG-OD2 3.05Å; H80-D103 IonicContact ND1-OD1 2.78Å; H80-D103 PolarHBondContact ND1-OD1 2.96Å; H80-D103 IonicContact ND1-OD2 3.51Å; H80-D103 PolarHBondContact ND1-OD2 3.47Å; S81-D103 PolarHBondContact N-OD2 3.27Å; S81-D103 WeakPolarHBondContact OG-CB 3.44Å; S101-D103 VanDerWaalsContact CB-OD1 3.26Å; S101-D103 WeakPolarHBondContact CB-OD1 3.36Å; S101-D103 PolarHBondContact O-N 2.8Å; S101-D103 PolarHBondContact OG-N 2.92Å; S101-D103 VanDerWaalsContact OG-N 3.16Å; S101-D103 PolarHBondContact OG-OD1 2.93Å; S101-D103 PolarHBondContact OG-OD2 3.08Å; D103-T105 PolarHBondContact O-N 2.83Å; D103-T105 WeakPolarHBondContact OD1-CB 3.3Å; D103-T105 PolarHBondContact OD1-N 3.44Å; D103-T105 PolarHBondContact OD1-OG1 2.67Å |
| 104 | C | 98 | Very high | 95.9 | Very high | 35 Ų | 35 | 23.5 Ų | 23.5 | 24% | 0.236 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 70.1 | 9.7 | 179.2 | -43.6 | 0 | 0 | 0 | 0 | 114.7 | S101 E102 H130 K132 V134 | S101-C104 PolarHBondContact O-N 3.44Å; E102-C104 PolarHBondContact O-N 3.46Å; C104-H130 WeakPolarHBondContact CB-O 3.4Å; C104-K132 WeakPolarHBondContact CA-O 3.33Å; C104-K132 WeakPolarHBondContact CB-O 3.47Å; C104-K132 WeakPolarHBondContact SG-CA 3.13Å; C104-V134 WeakPolarHBondContact O-CG2 3.26Å |
| 105 | T | 97.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 25.7 Ų | 25.7 | 11% | 0.11 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 154.3 | 177.8 | 72.5 | 0 | 0 | 0 | 0 | 112 | H80 S101 D103 V126 E128 | H80-T105 PolarHBondContact CE1-OG1 2.94Å; H80-T105 PolarHBondContact ND1-OG1 3.2Å; S101-T105 PolarHBondContact N-O 2.96Å; D103-T105 PolarHBondContact O-N 2.83Å; D103-T105 WeakPolarHBondContact OD1-CB 3.3Å; D103-T105 PolarHBondContact OD1-N 3.44Å; D103-T105 PolarHBondContact OD1-OG1 2.67Å; T105-V126 HydrophobicContact CG2-CG1 4.22Å; T105-E128 HydrophobicContact CG2-CG 4.25Å |
| 106 | A | 98.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | S99 C100 L127 T149 | S99-A106 CarbonylContact O-C 3.55Å; S99-A106 VanDerWaalsContact O-CA 3.23Å; S99-A106 WeakPolarHBondContact O-CA 3.46Å; C100-A106 HydrophobicContact CB-CB 4.23Å; A106-L127 HydrophobicContact CB-CB 4.23Å; A106-L127 HydrophobicContact CB-CD1 4.28Å; A106-L127 PolarHBondContact N-O 2.83Å; A106-L127 WeakPolarHBondContact O-CB 3.16Å; A106-L127 PolarHBondContact O-N 3.09Å; A106-T149 HydrophobicContact CB-CG2 3.7Å |
| 107 | M | 98.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144 | -179.3 | -68.4 | -177.3 | -176.4 | 0 | 0 | 110.1 | A98 S99 W109 P123 V125 V126 | A98-M107 CarbonylContact C-O 3.58Å; A98-M107 WeakPolarHBondContact CA-O 3.49Å; S99-M107 PolarHBondContact N-O 2.7Å; S99-M107 PolarHBondContact O-N 2.71Å; M107-W109 HydrophobicContact CB-CZ2 3.61Å; M107-W109 HydrophobicContact CG-CZ2 4.18Å; M107-W109 PolarHBondContact O-NE1 2.79Å; M107-W109 HydrophobicContact SD-CH2 3.77Å; M107-W109 HydrophobicContact SD-CZ2 3.49Å; M107-W109 WeakPolarHBondContact SD-CZ2 3.35Å; M107-P123 HydrophobicContact CB-CB 3.96Å; M107-P123 HydrophobicContact CB-CG 4.46Å; M107-P123 HydrophobicContact CG-CB 4.29Å; M107-P123 HydrophobicContact CG-CG 4.25Å; M107-P123 HydrophobicContact SD-CB 4.34Å; M107-P123 HydrophobicContact SD-CG 3.94Å; M107-V125 WeakPolarHBondContact CA-O 3.44Å; M107-V126 HydrophobicContact CE-CG1 4.18Å; M107-V126 HydrophobicContact CE-CG2 4.31Å; M107-V126 HydrophobicContact CG-CG1 4.28Å; M107-V126 HydrophobicContact CG-CG2 4.28Å |
| 108 | V | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.8 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | I96 L97 A98 P123 I124 V125 L127 W139 L147 V161 L402 | I96-V108 HydrophobicContact CG2-CG1 3.6Å; L97-V108 WeakPolarHBondContact O-CA 3.3Å; A98-V108 HydrophobicContact CB-CG2 4.28Å; V108-P123 CarbonylContact O-C 3.5Å; V108-P123 WeakPolarHBondContact O-CA 3.37Å; V108-P123 WeakPolarHBondContact O-CB 3.18Å; V108-I124 HydrophobicContact CG1-CD1 4.36Å; V108-I124 PolarHBondContact O-N 3.27Å; V108-V125 HydrophobicContact CB-CB 4.42Å; V108-V125 PolarHBondContact N-O 3.4Å; V108-L127 HydrophobicContact CG2-CD1 4.43Å; V108-W139 HydrophobicContact CG1-CH2 4.1Å; V108-W139 HydrophobicContact CG1-CZ2 4.13Å; V108-W139 HydrophobicContact CG2-CH2 4.43Å; V108-W139 HydrophobicContact CG2-CZ2 4.47Å; V108-L147 HydrophobicContact CG2-CD2 4.09Å; V108-V161 HydrophobicContact CB-CG1 4.02Å; V108-V161 HydrophobicContact CG1-CG1 3.95Å; V108-V161 HydrophobicContact CG2-CG1 3.71Å; V108-V161 HydrophobicContact CG2-CG2 4.25Å; V108-L402 HydrophobicContact CG1-CD2 4.3Å |
| 109 | W | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.5 | -168.7 | -51.6 | 89.8 | 0 | 0 | 0 | 111.6 | F59 V77 I78 I96 L97 S99 M107 I111 L120 P123 | F59-W109 AromaticContact CE1-NE1 3.78Å; F59-W109 AromaticContact CZ-CD1 3.71Å; F59-W109 HydrophobicContact CZ-CD2 4.38Å; F59-W109 HydrophobicContact CZ-CG 4.09Å; F59-W109 AromaticContact CZ-NE1 3.76Å; V77-W109 HydrophobicContact CG1-CD2 3.52Å; V77-W109 HydrophobicContact CG1-CE3 3.46Å; V77-W109 VanDerWaalsContact CG1-CE3 3.46Å; V77-W109 HydrophobicContact CG1-CG 4.15Å; V77-W109 HydrophobicContact CG1-CH2 3.94Å; V77-W109 HydrophobicContact CG1-CZ2 3.99Å; V77-W109 HydrophobicContact CG1-CZ3 3.67Å; I78-W109 VanDerWaalsContact O-CH2 3.26Å; I78-W109 WeakPolarHBondContact O-CH2 3.34Å; I96-W109 WeakPolarHBondContact CA-O 3.14Å; L97-W109 PolarHBondContact N-O 3.01Å; L97-W109 VanDerWaalsContact N-O 3.14Å; L97-W109 PolarHBondContact O-N 3.11Å; S99-W109 PolarHBondContact OG-NE1 3.15Å; M107-W109 HydrophobicContact CB-CZ2 3.61Å; M107-W109 HydrophobicContact CG-CZ2 4.18Å; M107-W109 PolarHBondContact O-NE1 2.79Å; M107-W109 HydrophobicContact SD-CH2 3.77Å; M107-W109 HydrophobicContact SD-CZ2 3.49Å; M107-W109 WeakPolarHBondContact SD-CZ2 3.35Å; W109-I111 HydrophobicContact CB-CD1 4.06Å; W109-L120 HydrophobicContact CB-CD2 4.38Å; W109-L120 HydrophobicContact CE3-CD2 4Å; W109-L120 HydrophobicContact CE3-CG 4.12Å; W109-L120 HydrophobicContact CZ3-CG 4.49Å; W109-P123 HydrophobicContact CD2-CB 4.11Å; W109-P123 HydrophobicContact CE3-CB 3.86Å; W109-P123 HydrophobicContact CH2-CB 3.96Å; W109-P123 HydrophobicContact CH2-CG 4.23Å; W109-P123 HydrophobicContact CZ2-CB 4.2Å; W109-P123 HydrophobicContact CZ3-CB 3.79Å; W109-P123 HydrophobicContact CZ3-CG 4.27Å |
| 110 | Q | 95.2 | Very high | 93.5 | Very high | 57 Ų | 57 | 45.8 Ų | 45.8 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 113 | 167.1 | -174.3 | 75.2 | 62 | 0 | 0 | 107.8 | I96 I124 | I96-Q110 HydrophobicContact CD1-CB 4.45Å; Q110-I124 HydrophobicContact CB-CD1 3.61Å; Q110-I124 HydrophobicContact CB-CG1 3.86Å |
| 111 | I | 94.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | trans | -90 | 124.4 | 176.3 | -53.9 | -51.8 | 0 | 0 | 0 | 108.5 | F46 V61 V77 W89 N95 W109 L120 | F46-I111 HydrophobicContact CD1-CG2 4.24Å; F46-I111 HydrophobicContact CD2-CG2 4.36Å; F46-I111 HydrophobicContact CE1-CG2 4Å; F46-I111 HydrophobicContact CE2-CG2 4.13Å; F46-I111 HydrophobicContact CG-CG2 4.42Å; F46-I111 HydrophobicContact CZ-CG2 3.93Å; V61-I111 HydrophobicContact CG1-CG1 4.46Å; V61-I111 HydrophobicContact CG1-CG2 3.77Å; V61-I111 HydrophobicContact CG2-CD1 4.23Å; V77-I111 HydrophobicContact CG2-CD1 4.2Å; W89-I111 HydrophobicContact CH2-CB 4.41Å; W89-I111 HydrophobicContact CH2-CG1 3.86Å; W89-I111 HydrophobicContact CZ3-CB 4.42Å; W89-I111 HydrophobicContact CZ3-CG1 3.89Å; N95-I111 WeakPolarHBondContact CB-O 3.38Å; N95-I111 PolarHBondContact ND2-O 3.15Å; N95-I111 PolarHBondContact O-N 2.9Å; W109-I111 HydrophobicContact CB-CD1 4.06Å; I111-L120 HydrophobicContact CD1-CD2 3.94Å | ||
| 112 | P | 92.1 | Very high | 93.1 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | trans | -72.8 | 153.6 | 175.6 | 30 | -33.9 | 0 | 0 | 0 | 111.7 | F46 H114 L116 | F46-P112 WeakPolarHBondContact CZ-O 3.33Å; P112-H114 VanDerWaalsContact C-N 3.31Å; P112-H114 PolarHBondContact O-N 3.31Å; P112-L116 HydrophobicContact CG-CD2 3.63Å | ||
| 113 | D | 87.4 | Confident | 93 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -67.9 | -29.7 | 178.2 | -79.8 | -14 | 0 | 0 | 0 | 114.3 | K45 N95 | K45-D113 WeakPolarHBondContact CE-OD1 3.41Å; K45-D113 VanDerWaalsContact NZ-CG 3.27Å; K45-D113 IonicContact NZ-OD1 3.42Å; K45-D113 PolarHBondContact NZ-OD1 2.91Å; K45-D113 IonicContact NZ-OD2 3.99Å; K45-D113 PolarHBondContact NZ-OD2 3.48Å; N95-D113 PolarHBondContact ND2-OD1 3.37Å; N95-D113 PolarHBondContact OD1-OD1 2.82Å |
| 114 | H | 84.7 | Confident | 93 | Very high | 119 Ų | 119 | 53.6 Ų | 53.6 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -77.1 | 156.1 | 173.5 | 62.8 | 71.5 | 0 | 0 | 0 | 110.1 | P112 L116 | P112-H114 VanDerWaalsContact C-N 3.31Å; P112-H114 PolarHBondContact O-N 3.31Å; H114-L116 PolarHBondContact O-N 3.21Å |
| 115 | S | 83.3 | Confident | 92.9 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 138 | 169.2 | -73.7 | 0 | 0 | 0 | 0 | 110.3 | T117 | S115-T117 PolarHBondContact O-N 2.76Š|
| 116 | L | 85.8 | Confident | 92.8 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 132.1 | 173.3 | -68.8 | 176.4 | 0 | 0 | 0 | 109.2 | P75 V77 P112 H114 | P75-L116 HydrophobicContact CB-CB 4.07Å; P75-L116 VanDerWaalsContact CG-C 3.41Å; P75-L116 HydrophobicContact CG-CB 3.53Å; P75-L116 WeakPolarHBondContact CG-O 3.42Å; V77-L116 HydrophobicContact CG2-CD1 4.39Å; P112-L116 HydrophobicContact CG-CD2 3.63Å; H114-L116 PolarHBondContact O-N 3.21Å |
| 117 | T | 85.8 | Confident | 92.8 | Very high | 123 Ų | 123 | 54.4 Ų | 54.4 | 76% | 0.755 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -103.5 | -23.6 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | S115 | S115-T117 PolarHBondContact O-N 2.76Š|
| 118 | R | 91.4 | Very high | 92.7 | Very high | 190 Ų | 190 | 60.7 Ų | 60.7 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -137 | 155.5 | 175.6 | 62.1 | -178.1 | -178.8 | -178.6 | 2.5 | 109 | P75 L120 | P75-R118 WeakPolarHBondContact CB-O 3.37Å; R118-L120 PolarHBondContact O-N 3.07Å |
| 119 | P | 92.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | trans | -54.5 | 139.1 | 172.5 | -24.1 | 34.4 | 0 | 0 | 0 | 110.7 | P75 L76 I78 | P75-P119 HydrophobicContact CB-CG 4.34Å; L76-P119 CarbonylContact O-C 3.36Å; L76-P119 WeakPolarHBondContact O-CA 3.34Å; L76-P119 WeakPolarHBondContact O-CB 3.02Å; I78-P119 HydrophobicContact CD1-CB 3.64Å; I78-P119 HydrophobicContact CG1-CB 3.94Å | ||
| 120 | L | 94.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 19% | 0.188 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 111.8 | 174.8 | -177.4 | 65.8 | 0 | 0 | 0 | 107.5 | L76 V77 I78 W109 I111 R118 | L76-L120 PolarHBondContact O-N 2.99Å; V77-L120 WeakPolarHBondContact CA-O 3.14Å; V77-L120 HydrophobicContact CG1-CB 4.28Å; V77-L120 HydrophobicContact CG1-CD2 4.22Å; V77-L120 HydrophobicContact CG1-CG 4.42Å; V77-L120 HydrophobicContact CG2-CB 4.21Å; V77-L120 HydrophobicContact CG2-CD2 4.2Å; I78-L120 PolarHBondContact N-O 3.31Å; W109-L120 HydrophobicContact CB-CD2 4.38Å; W109-L120 HydrophobicContact CE3-CD2 4Å; W109-L120 HydrophobicContact CE3-CG 4.12Å; W109-L120 HydrophobicContact CZ3-CG 4.49Å; I111-L120 HydrophobicContact CD1-CD2 3.94Å; R118-L120 PolarHBondContact O-N 3.07Å |
| 121 | S | 93.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | trans | -105.5 | -20.4 | -178.4 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | I78 P123 | I78-S121 VanDerWaalsContact O-CA 3.23Å; I78-S121 WeakPolarHBondContact O-CA 3.18Å; S121-P123 VanDerWaalsContact O-CD 3.31Å; S121-P123 WeakPolarHBondContact O-CD 3.22Å | ||
| 122 | D | 93.1 | Very high | 92.9 | Very high | 121 Ų | 121 | 70.6 Ų | 70.6 | 65% | 0.647 | 39% | 0.388 | S | S | * | . | trans | -105.2 | 106.2 | -168.4 | -53.5 | -50.7 | 0 | 0 | 0 | 109.6 | ||||
| 123 | P | 95.7 | Very high | 93.2 | Very high | 36 Ų | 36 | 74.1 Ų | 74.1 | 23% | 0.234 | 40% | 0.397 | C | S | . | . | trans | -73.4 | 155.7 | 173.5 | 31.3 | -35.2 | 0 | 0 | 0 | 110.8 | M107 V108 W109 S121 V125 V126 | M107-P123 HydrophobicContact CB-CB 3.96Å; M107-P123 HydrophobicContact CB-CG 4.46Å; M107-P123 HydrophobicContact CG-CB 4.29Å; M107-P123 HydrophobicContact CG-CG 4.25Å; M107-P123 HydrophobicContact SD-CB 4.34Å; M107-P123 HydrophobicContact SD-CG 3.94Å; V108-P123 CarbonylContact O-C 3.5Å; V108-P123 WeakPolarHBondContact O-CA 3.37Å; V108-P123 WeakPolarHBondContact O-CB 3.18Å; W109-P123 HydrophobicContact CD2-CB 4.11Å; W109-P123 HydrophobicContact CE3-CB 3.86Å; W109-P123 HydrophobicContact CH2-CB 3.96Å; W109-P123 HydrophobicContact CH2-CG 4.23Å; W109-P123 HydrophobicContact CZ2-CB 4.2Å; W109-P123 HydrophobicContact CZ3-CB 3.79Å; W109-P123 HydrophobicContact CZ3-CG 4.27Å; S121-P123 VanDerWaalsContact O-CD 3.31Å; S121-P123 WeakPolarHBondContact O-CD 3.22Å; P123-V125 VanDerWaalsContact C-N 3.34Å; P123-V126 HydrophobicContact CG-CG2 3.57Å | ||
| 124 | I | 95.1 | Very high | 93.7 | Very high | 49 Ų | 49 | 69.4 Ų | 69.4 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -66.3 | -42.6 | 172 | -42.2 | 176.1 | 0 | 0 | 0 | 109.8 | I96 V108 Q110 L402 V404 | I96-I124 HydrophobicContact CD1-CD1 3.49Å; I96-I124 VanDerWaalsContact CD1-CD1 3.49Å; V108-I124 HydrophobicContact CG1-CD1 4.36Å; V108-I124 PolarHBondContact O-N 3.27Å; Q110-I124 HydrophobicContact CB-CD1 3.61Å; Q110-I124 HydrophobicContact CB-CG1 3.86Å; I124-L402 HydrophobicContact CD1-CB 4.13Å; I124-L402 HydrophobicContact CD1-CD2 4.02Å; I124-L402 WeakPolarHBondContact CG2-O 3.45Å; I124-V404 HydrophobicContact CG2-CG2 3.53Å |
| 125 | V | 95.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.3 | -178.9 | -175 | 0 | 0 | 0 | 0 | 109.4 | M107 V108 P123 L127 V161 V404 | M107-V125 WeakPolarHBondContact CA-O 3.44Å; V108-V125 HydrophobicContact CB-CB 4.42Å; V108-V125 PolarHBondContact N-O 3.4Å; P123-V125 VanDerWaalsContact C-N 3.34Å; V125-L127 HydrophobicContact CG1-CD2 3.47Å; V125-L127 VanDerWaalsContact CG1-CD2 3.47Å; V125-L127 HydrophobicContact CG1-CG 3.99Å; V125-V161 HydrophobicContact CB-CG1 4.48Å; V125-V161 HydrophobicContact CG2-CG1 4.04Å; V125-V161 WeakPolarHBondContact CG2-O 3.48Å; V125-V404 HydrophobicContact CG2-CB 4.22Å; V125-V404 HydrophobicContact CG2-CG1 4.03Å; V125-V404 HydrophobicContact CG2-CG2 3.16Å |
| 126 | V | 97.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.7 | 163 | -171.9 | 0 | 0 | 0 | 0 | 107.1 | T105 M107 P123 E128 | T105-V126 HydrophobicContact CG2-CG1 4.22Å; M107-V126 HydrophobicContact CE-CG1 4.18Å; M107-V126 HydrophobicContact CE-CG2 4.31Å; M107-V126 HydrophobicContact CG-CG1 4.28Å; M107-V126 HydrophobicContact CG-CG2 4.28Å; P123-V126 HydrophobicContact CG-CG2 3.57Å; V126-E128 HydrophobicContact CG1-CG 3.86Å |
| 127 | L | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 108 | 179 | -57.6 | 172.5 | 0 | 0 | 0 | 108 | A106 V108 V125 L147 W159 | A106-L127 HydrophobicContact CB-CB 4.23Å; A106-L127 HydrophobicContact CB-CD1 4.28Å; A106-L127 PolarHBondContact N-O 2.83Å; A106-L127 WeakPolarHBondContact O-CB 3.16Å; A106-L127 PolarHBondContact O-N 3.09Å; V108-L127 HydrophobicContact CG2-CD1 4.43Å; V125-L127 HydrophobicContact CG1-CD2 3.47Å; V125-L127 VanDerWaalsContact CG1-CD2 3.47Å; V125-L127 HydrophobicContact CG1-CG 3.99Å; L127-L147 HydrophobicContact CD1-CD2 3.67Å; L127-W159 HydrophobicContact CB-CD2 4.08Å; L127-W159 HydrophobicContact CB-CE3 4.24Å; L127-W159 HydrophobicContact CB-CH2 4.34Å; L127-W159 HydrophobicContact CB-CZ2 4.16Å; L127-W159 HydrophobicContact CB-CZ3 4.36Å; L127-W159 HydrophobicContact CD1-CB 4.13Å; L127-W159 HydrophobicContact CD1-CD2 4.14Å; L127-W159 HydrophobicContact CD1-CG 3.82Å; L127-W159 HydrophobicContact CD2-CB 4.19Å; L127-W159 HydrophobicContact CD2-CD2 3.92Å; L127-W159 HydrophobicContact CD2-CE3 3.76Å; L127-W159 HydrophobicContact CD2-CG 4.12Å; L127-W159 HydrophobicContact CD2-CZ3 4.43Å; L127-W159 HydrophobicContact CG-CD2 4.27Å; L127-W159 HydrophobicContact CG-CE3 4.47Å; L127-W159 HydrophobicContact CG-CG 4.41Å |
| 128 | E | 96.6 | Very high | 96.2 | Very high | 149 Ų | 149 | 57.1 Ų | 57.1 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.8 | -177.7 | -60.6 | -177.1 | 159.6 | 0 | 0 | 109.1 | T105 V126 W159 | T105-E128 HydrophobicContact CG2-CG 4.25Å; V126-E128 HydrophobicContact CG1-CG 3.86Å; E128-W159 WeakPolarHBondContact O-CH2 3.48Å |
| 129 | G | 96.1 | Very high | 96.6 | Very high | 45 Ų | 45 | 48.5 Ų | 48.5 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | trans | -174.7 | -25.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 130 | H | 98.2 | Very high | 96.9 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | trans | -79.2 | 144.3 | 172.3 | -68.3 | -78.4 | 0 | 0 | 0 | 111.7 | C104 V134 T149 G151 D153 L155 | C104-H130 WeakPolarHBondContact CB-O 3.4Å; H130-V134 HydrophobicContact CB-CG2 3.58Å; H130-V134 VanDerWaalsContact CD2-CG2 3.45Å; H130-V134 WeakPolarHBondContact CD2-CG2 3.38Å; H130-T149 PolarHBondContact NE2-OG1 2.85Å; H130-G151 PolarHBondContact CE1-N 2.67Å; H130-D153 WeakPolarHBondContact CA-OD2 3.38Å; H130-D153 WeakPolarHBondContact CB-OD2 3.44Å; H130-D153 IonicContact CE1-OD1 2.68Å; H130-D153 IonicContact CG-OD1 3.52Å; H130-D153 IonicContact CG-OD2 2.7Å; H130-D153 IonicContact ND1-OD1 3.3Å; H130-D153 PolarHBondContact ND1-OD1 3.45Å; H130-D153 IonicContact ND1-OD2 2.68Å; H130-D153 PolarHBondContact ND1-OD2 3.02Å; H130-L155 PolarHBondContact CE1-O 3.15Å; H130-L155 VanDerWaalsContact CE1-O 3.26Å | ||
| 131 | S | 97.5 | Very high | 97 | Very high | 93 Ų | 93 | 45.4 Ų | 45.4 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -97.2 | -7.1 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | D153 | S131-D153 PolarHBondContact N-OD2 3.18Å; S131-D153 WeakPolarHBondContact OG-CB 3.16Å; S131-D153 PolarHBondContact OG-OD2 3.18Å |
| 132 | K | 98.2 | Very high | 97.1 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -137.7 | 172.8 | 176.7 | -66.5 | 177.5 | -174.9 | 167.4 | 0 | 109.6 | C104 V134 S152 D153 | C104-K132 WeakPolarHBondContact CA-O 3.33Å; C104-K132 WeakPolarHBondContact CB-O 3.47Å; C104-K132 WeakPolarHBondContact SG-CA 3.13Å; K132-V134 PolarHBondContact O-N 3.11Å; K132-S152 WeakPolarHBondContact CD-O 3.38Å; K132-D153 HydrophobicContact CB-CB 4.15Å; K132-D153 HydrophobicContact CD-CB 4.17Å; K132-D153 HydrophobicContact CG-CB 4.22Å |
| 133 | R | 97.4 | Very high | 97.3 | Very high | 108 Ų | 108 | 37.1 Ų | 37.1 | 41% | 0.408 | 20% | 0.204 | S | C | . | . | trans | -44.9 | 135.2 | 179.1 | 70.3 | -178.1 | 96.6 | -159.1 | 6.2 | 112.3 | L85 E102 G151 S152 | L85-R133 HydrophobicContact CD1-CB 4Å; L85-R133 HydrophobicContact CD1-CG 4.08Å; E102-R133 HydrophobicContact CB-CB 4.33Å; E102-R133 HydrophobicContact CG-CB 4.27Å; E102-R133 IonicContact OE1-CZ 3.31Å; E102-R133 IonicContact OE1-NH1 3.06Å; E102-R133 PolarHBondContact OE1-NH1 3Å; R133-G151 CarbonylContact O-C 3.45Å; R133-G151 WeakPolarHBondContact O-CA 3.43Å; R133-S152 WeakPolarHBondContact CG-OG 3.27Å; R133-S152 PolarHBondContact O-N 2.9Å | ||
| 134 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.9 | 175.1 | -172 | 0 | 0 | 0 | 0 | 107.6 | L85 C100 S101 C104 H130 K132 T149 | L85-V134 WeakPolarHBondContact CD1-O 3.43Å; C100-V134 CarbonylContact C-O 3.57Å; C100-V134 HydrophobicContact CB-CB 3.82Å; C100-V134 HydrophobicContact CB-CG1 3.55Å; C100-V134 VanDerWaalsContact SG-C 3.58Å; C100-V134 PolarHBondContact SG-O 3.21Å; S101-V134 PolarHBondContact N-O 2.85Å; S101-V134 PolarHBondContact O-N 2.82Å; C104-V134 WeakPolarHBondContact O-CG2 3.26Å; H130-V134 HydrophobicContact CB-CG2 3.58Å; H130-V134 VanDerWaalsContact CD2-CG2 3.45Å; H130-V134 WeakPolarHBondContact CD2-CG2 3.38Å; K132-V134 PolarHBondContact O-N 3.11Å; V134-T149 HydrophobicContact CG1-CG2 4.4Å |
| 135 | G | 97.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -3.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | W35 A150 | W35-G135 PolarHBondContact NE1-O 2.84Å; G135-A150 PolarHBondContact N-O 2.76Å; G135-A150 VanDerWaalsContact N-O 3.13Å |
| 136 | I | 98.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 129.9 | 179.5 | -56.5 | 172.5 | 0 | 0 | 0 | 107.5 | T149 A150 I177 Y178 V180 | I136-T149 WeakPolarHBondContact O-CA 3.31Å; I136-A150 HydrophobicContact CB-CB 4.1Å; I136-A150 HydrophobicContact CD1-CB 4.21Å; I136-A150 PolarHBondContact N-O 2.94Å; I136-A150 PolarHBondContact O-N 2.87Å; I136-I177 HydrophobicContact CD1-CG2 3.99Å; I136-Y178 WeakPolarHBondContact CD1-O 3.2Å; I136-V180 HydrophobicContact CD1-CG2 4.17Å; I136-V180 HydrophobicContact CG2-CB 4.18Å; I136-V180 HydrophobicContact CG2-CG2 4.2Å |
| 137 | V | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 131.6 | 170.9 | 65.7 | 0 | 0 | 0 | 0 | 109 | D86 D88 A98 C100 L147 L148 T149 | D86-V137 HydrophobicContact CB-CG1 4.1Å; D86-V137 PolarHBondContact OD2-N 3.13Å; D88-V137 HydrophobicContact CB-CG1 4.09Å; A98-V137 HydrophobicContact CB-CG2 3.68Å; C100-V137 HydrophobicContact CB-CB 4.26Å; V137-L147 HydrophobicContact CG2-CD1 3.52Å; V137-L147 HydrophobicContact CG2-CD2 3.96Å; V137-L147 HydrophobicContact CG2-CG 3.97Å; V137-L148 WeakPolarHBondContact CA-O 3.23Å; V137-T149 HydrophobicContact CG2-CG2 4.3Å |
| 138 | T | 98.2 | Very high | 97.4 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 17% | 0.166 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 128 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | D88 L148 V180 | D88-T138 WeakPolarHBondContact OD2-CA 3.23Å; T138-L148 HydrophobicContact CG2-CB 3.93Å; T138-L148 HydrophobicContact CG2-CD2 3.96Å; T138-L148 HydrophobicContact CG2-CG 4.43Å; T138-L148 PolarHBondContact N-O 2.85Å; T138-L148 PolarHBondContact O-N 2.9Å; T138-V180 HydrophobicContact CG2-CG1 4.47Å |
| 139 | W | 98.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 3% | 0.034 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 148.8 | 176.5 | -69.8 | 93.2 | 0 | 0 | 0 | 111.8 | D88 W89 C90 P91 I96 A98 V108 L147 V161 W182 | D88-W139 PolarHBondContact O-NE1 2.85Å; D88-W139 VanDerWaalsContact O-NE1 3.08Å; D88-W139 PolarHBondContact OD2-N 2.87Å; D88-W139 VanDerWaalsContact OD2-N 3.1Å; W89-W139 VanDerWaalsContact C-CD1 3.46Å; C90-W139 HydrophobicContact CB-CD2 4.03Å; C90-W139 HydrophobicContact CB-CE3 4.42Å; C90-W139 HydrophobicContact CB-CG 4.49Å; C90-W139 HydrophobicContact CB-CH2 4.41Å; C90-W139 HydrophobicContact CB-CZ2 4.03Å; P91-W139 HydrophobicContact CG-CB 4.06Å; I96-W139 HydrophobicContact CG2-CH2 3.84Å; I96-W139 HydrophobicContact CG2-CZ2 3.69Å; A98-W139 HydrophobicContact CB-CZ2 3.81Å; V108-W139 HydrophobicContact CG1-CH2 4.1Å; V108-W139 HydrophobicContact CG1-CZ2 4.13Å; V108-W139 HydrophobicContact CG2-CH2 4.43Å; V108-W139 HydrophobicContact CG2-CZ2 4.47Å; W139-L147 HydrophobicContact CB-CD1 4.49Å; W139-L147 HydrophobicContact CD2-CD1 3.64Å; W139-L147 HydrophobicContact CE3-CB 4.24Å; W139-L147 HydrophobicContact CE3-CD1 4.06Å; W139-L147 HydrophobicContact CG-CD1 3.83Å; W139-L147 HydrophobicContact CZ2-CD1 4.32Å; W139-L147 HydrophobicContact CZ3-CB 4.28Å; W139-V161 HydrophobicContact CH2-CB 4.34Å; W139-V161 HydrophobicContact CH2-CG1 4.25Å; W139-V161 HydrophobicContact CH2-CG2 3.88Å; W139-V161 HydrophobicContact CZ3-CB 4.35Å; W139-V161 HydrophobicContact CZ3-CG2 3.82Å; W139-W182 VanDerWaalsContact O-CD1 3.31Å |
| 140 | H | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -66.3 | 139.4 | 169.4 | -163.9 | -88.3 | 0 | 0 | 0 | 110.6 | P91 H92 T142 A143 I146 W182 G186 W377 | P91-H140 WeakPolarHBondContact CG-O 3.46Å; H92-H140 PolarHBondContact NE2-O 2.88Å; H140-T142 PolarHBondContact CE1-OG1 3.14Å; H140-T142 PolarHBondContact ND1-N 2.85Å; H140-T142 PolarHBondContact ND1-OG1 2.94Å; H140-T142 PolarHBondContact O-N 3.32Å; H140-A143 HydrophobicContact CB-CB 4.49Å; H140-A143 WeakPolarHBondContact ND1-CB 3.18Å; H140-A143 PolarHBondContact ND1-N 3.24Å; H140-I146 HydrophobicContact CB-CB 3.56Å; H140-I146 HydrophobicContact CB-CG2 3.72Å; H140-I146 WeakPolarHBondContact CB-O 3.27Å; H140-I146 PolarHBondContact N-O 3.39Å; H140-W182 AromaticContact CD2-CH2 3.73Å; H140-W182 AromaticContact CD2-CZ2 3.83Å; H140-W182 AromaticContact CD2-CZ3 3.83Å; H140-G186 WeakPolarHBondContact NE2-CA 3.39Å; H140-G186 PolarHBondContact NE2-O 2.69Å; H140-W377 AromaticContact CE1-CD1 3.72Å; H140-W377 AromaticContact CE1-NE1 3.58Å; H140-W377 AromaticContact NE2-CD1 3.61Å; H140-W377 AromaticContact NE2-CE2 3.42Å; H140-W377 AromaticContact NE2-CZ2 3.86Å; H140-W377 AromaticContact NE2-NE1 3Å; H140-W377 PolarHBondContact NE2-NE1 2.68Å | ||
| 141 | P | 96.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 23.1 Ų | 23.1 | 24% | 0.24 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -76.2 | -21.9 | -173.1 | 27.5 | -35 | 0 | 0 | 0 | 114.5 | H92 W182 N183 | H92-P141 PolarHBondContact CE1-O 3.05Å; P141-W182 HydrophobicContact CG-CB 4.1Å; P141-N183 WeakPolarHBondContact CG-O 3.25Å |
| 142 | T | 96.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -130.8 | -15.5 | -169.9 | 59.2 | 0 | 0 | 0 | 0 | 115.2 | H140 N185 P370 A371 M372 E383 P385 | H140-T142 PolarHBondContact CE1-OG1 3.14Å; H140-T142 PolarHBondContact ND1-N 2.85Å; H140-T142 PolarHBondContact ND1-OG1 2.94Å; H140-T142 PolarHBondContact O-N 3.32Å; T142-N185 PolarHBondContact OG1-O 2.82Å; T142-P370 CarbonylContact O-C 3.58Å; T142-A371 PolarHBondContact O-N 3.48Å; T142-M372 PolarHBondContact O-N 3.23Å; T142-M372 VanDerWaalsContact O-N 3.15Å; T142-M372 WeakPolarHBondContact OG1-CE 3.48Å; T142-E383 WeakPolarHBondContact CG2-O 3.28Å; T142-P385 HydrophobicContact CG2-CB 4.16Å; T142-P385 HydrophobicContact CG2-CG 3.65Å |
| 143 | A | 96.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -113.4 | 126.7 | -170 | 0 | 0 | 0 | 0 | 0 | 108.2 | H140 N145 I146 M372 W377 | H140-A143 HydrophobicContact CB-CB 4.49Å; H140-A143 WeakPolarHBondContact ND1-CB 3.18Å; H140-A143 PolarHBondContact ND1-N 3.24Å; A143-N145 PolarHBondContact O-N 2.78Å; A143-I146 HydrophobicContact CB-CB 4.42Å; A143-I146 HydrophobicContact CB-CG1 3.86Å; A143-M372 WeakPolarHBondContact CA-O 3.45Å; A143-W377 HydrophobicContact CB-CB 3.95Å; A143-W377 HydrophobicContact CB-CG 4.08Å |
| 144 | R | 94.8 | Very high | 97.6 | Very high | 46 Ų | 46 | 12 Ų | 12 | 17% | 0.174 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 139.8 | -175.5 | -168.4 | -172.6 | -177.6 | 87.5 | 14.3 | 110.2 | I146 P370 M372 E373 P374 | R144-I146 PolarHBondContact O-N 3.47Å; R144-P370 HydrophobicContact CB-CB 3.93Å; R144-P370 HydrophobicContact CB-CG 3.9Å; R144-P370 HydrophobicContact CG-CG 4.16Å; R144-M372 PolarHBondContact N-O 3.39Å; R144-E373 WeakPolarHBondContact CD-OE2 3.36Å; R144-P374 VanDerWaalsContact O-CG 3.28Å; R144-P374 WeakPolarHBondContact O-CG 3.45Å |
| 145 | N | 94.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 13.6 Ų | 13.6 | 12% | 0.123 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 10.6 | 170.4 | -62.3 | -16.3 | 0 | 0 | 0 | 116.6 | A143 V161 L402 | A143-N145 PolarHBondContact O-N 2.78Å; N145-V161 HydrophobicContact CB-CB 4.36Å; N145-V161 WeakPolarHBondContact O-CB 3.47Å; N145-V161 WeakPolarHBondContact O-CG2 3.38Å; N145-V161 PolarHBondContact O-N 2.84Å; N145-L402 WeakPolarHBondContact OD1-CD1 3.45Å |
| 146 | I | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125 | 174.8 | -59.4 | -63.5 | 0 | 0 | 0 | 109.2 | H140 A143 R144 I158 W159 L167 P374 W377 | H140-I146 HydrophobicContact CB-CB 3.56Å; H140-I146 HydrophobicContact CB-CG2 3.72Å; H140-I146 WeakPolarHBondContact CB-O 3.27Å; H140-I146 PolarHBondContact N-O 3.39Å; A143-I146 HydrophobicContact CB-CB 4.42Å; A143-I146 HydrophobicContact CB-CG1 3.86Å; R144-I146 PolarHBondContact O-N 3.47Å; I146-I158 HydrophobicContact CG2-CG2 3.49Å; I146-I158 VanDerWaalsContact CG2-CG2 3.49Å; I146-W159 WeakPolarHBondContact CA-O 3.43Å; I146-L167 HydrophobicContact CD1-CD1 3.34Å; I146-P374 HydrophobicContact CD1-CB 3.81Å; I146-P374 HydrophobicContact CD1-CG 4.46Å; I146-P374 HydrophobicContact CG1-CB 4.47Å; I146-W377 HydrophobicContact CD1-CE3 4.14Å; I146-W377 HydrophobicContact CD1-CZ3 4.31Å; I146-W377 HydrophobicContact CG1-CE3 4.28Å; I146-W377 HydrophobicContact CG2-CH2 4.48Å; I146-W377 HydrophobicContact CG2-CZ3 4.34Å |
| 147 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.8 | 179.9 | -176.4 | 65.4 | 0 | 0 | 0 | 109.8 | A98 V108 L127 V137 W139 I158 W159 V161 | A98-L147 HydrophobicContact CB-CD1 4.04Å; A98-L147 HydrophobicContact CB-CD2 3.82Å; V108-L147 HydrophobicContact CG2-CD2 4.09Å; L127-L147 HydrophobicContact CD1-CD2 3.67Å; V137-L147 HydrophobicContact CG2-CD1 3.52Å; V137-L147 HydrophobicContact CG2-CD2 3.96Å; V137-L147 HydrophobicContact CG2-CG 3.97Å; W139-L147 HydrophobicContact CB-CD1 4.49Å; W139-L147 HydrophobicContact CD2-CD1 3.64Å; W139-L147 HydrophobicContact CE3-CB 4.24Å; W139-L147 HydrophobicContact CE3-CD1 4.06Å; W139-L147 HydrophobicContact CG-CD1 3.83Å; W139-L147 HydrophobicContact CZ2-CD1 4.32Å; W139-L147 HydrophobicContact CZ3-CB 4.28Å; L147-I158 CarbonylContact O-C 3.52Å; L147-I158 WeakPolarHBondContact O-CA 3.39Å; L147-W159 PolarHBondContact N-O 3.48Å; L147-W159 VanDerWaalsContact N-O 3.08Å; L147-W159 PolarHBondContact O-N 3.19Å; L147-V161 HydrophobicContact CB-CG2 3.59Å; L147-V161 HydrophobicContact CD2-CG2 4.05Å; L147-V161 HydrophobicContact CG-CG2 4.47Å |
| 148 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 135.5 | 172.8 | -175 | 155.2 | 0 | 0 | 0 | 109.9 | V137 T138 I156 I157 I158 V180 W182 F189 | V137-L148 WeakPolarHBondContact CA-O 3.23Å; T138-L148 HydrophobicContact CG2-CB 3.93Å; T138-L148 HydrophobicContact CG2-CD2 3.96Å; T138-L148 HydrophobicContact CG2-CG 4.43Å; T138-L148 PolarHBondContact N-O 2.85Å; T138-L148 PolarHBondContact O-N 2.9Å; L148-I156 HydrophobicContact CD1-CG2 3.8Å; L148-I156 HydrophobicContact CD2-CG2 3.94Å; L148-I156 HydrophobicContact CG-CG2 3.76Å; L148-I157 WeakPolarHBondContact CA-O 3.23Å; L148-I158 HydrophobicContact CB-CG1 4.31Å; L148-I158 HydrophobicContact CD1-CD1 4.33Å; L148-I158 HydrophobicContact CD1-CG1 4.07Å; L148-I158 HydrophobicContact CG-CG1 4.14Å; L148-V180 HydrophobicContact CD1-CG1 3.86Å; L148-V180 HydrophobicContact CD2-CB 4.11Å; L148-V180 HydrophobicContact CD2-CG1 3.68Å; L148-V180 HydrophobicContact CD2-CG2 4.17Å; L148-V180 HydrophobicContact CG-CG1 4.46Å; L148-W182 HydrophobicContact CB-CZ2 3.99Å; L148-W182 HydrophobicContact CD1-CH2 4.37Å; L148-W182 HydrophobicContact CD1-CZ2 3.64Å; L148-W182 HydrophobicContact CG-CZ2 4.47Å; L148-F189 HydrophobicContact CD1-CD1 4.17Å; L148-F189 HydrophobicContact CD1-CD2 4.44Å; L148-F189 HydrophobicContact CD1-CE1 4.37Å; L148-F189 HydrophobicContact CD1-CG 4.21Å |
| 149 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.2 | 170.3 | 60.8 | 0 | 0 | 0 | 0 | 110.3 | A106 H130 V134 I136 V137 I156 I157 W159 | A106-T149 HydrophobicContact CB-CG2 3.7Å; H130-T149 PolarHBondContact NE2-OG1 2.85Å; V134-T149 HydrophobicContact CG1-CG2 4.4Å; I136-T149 WeakPolarHBondContact O-CA 3.31Å; V137-T149 HydrophobicContact CG2-CG2 4.3Å; T149-I156 WeakPolarHBondContact O-CA 3.44Å; T149-I157 PolarHBondContact N-O 3.27Å; T149-I157 PolarHBondContact O-N 3.27Å; T149-I157 PolarHBondContact OG1-O 3.46Å; T149-W159 PolarHBondContact OG1-NE1 2.88Å |
| 150 | A | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 2% | 0.017 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G135 I136 L155 I156 I177 V180 | G135-A150 PolarHBondContact N-O 2.76Å; G135-A150 VanDerWaalsContact N-O 3.13Å; I136-A150 HydrophobicContact CB-CB 4.1Å; I136-A150 HydrophobicContact CD1-CB 4.21Å; I136-A150 PolarHBondContact N-O 2.94Å; I136-A150 PolarHBondContact O-N 2.87Å; A150-L155 WeakPolarHBondContact CA-O 3.28Å; A150-I156 HydrophobicContact CB-CG1 4.12Å; A150-I177 HydrophobicContact CB-CD1 4.15Å; A150-I177 HydrophobicContact CB-CG2 4.46Å; A150-V180 HydrophobicContact CB-CG2 4.12Å |
| 151 | G | 97.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 4% | 0.041 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 166.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H130 R133 D153 N154 L155 | H130-G151 PolarHBondContact CE1-N 2.67Å; R133-G151 CarbonylContact O-C 3.45Å; R133-G151 WeakPolarHBondContact O-CA 3.43Å; G151-D153 VanDerWaalsContact CA-OD1 3.3Å; G151-D153 WeakPolarHBondContact CA-OD1 3.29Å; G151-D153 PolarHBondContact O-N 2.97Å; G151-N154 PolarHBondContact O-N 2.83Å; G151-L155 PolarHBondContact N-O 2.94Å; G151-L155 VanDerWaalsContact N-O 3.14Å |
| 152 | S | 97.4 | Very high | 97.2 | Very high | 21 Ų | 21 | 10.5 Ų | 10.5 | 15% | 0.147 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 2.2 | 170.5 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | K132 R133 | K132-S152 WeakPolarHBondContact CD-O 3.38Å; R133-S152 WeakPolarHBondContact CG-OG 3.27Å; R133-S152 PolarHBondContact O-N 2.9Å |
| 153 | D | 97.7 | Very high | 97 | Very high | 32 Ų | 32 | 11.6 Ų | 11.6 | 17% | 0.171 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 3.8 | 162.7 | 54.5 | 2.1 | 0 | 0 | 0 | 112.4 | H130 S131 K132 G151 L155 | H130-D153 WeakPolarHBondContact CA-OD2 3.38Å; H130-D153 WeakPolarHBondContact CB-OD2 3.44Å; H130-D153 IonicContact CE1-OD1 2.68Å; H130-D153 IonicContact CG-OD1 3.52Å; H130-D153 IonicContact CG-OD2 2.7Å; H130-D153 IonicContact ND1-OD1 3.3Å; H130-D153 PolarHBondContact ND1-OD1 3.45Å; H130-D153 IonicContact ND1-OD2 2.68Å; H130-D153 PolarHBondContact ND1-OD2 3.02Å; S131-D153 PolarHBondContact N-OD2 3.18Å; S131-D153 WeakPolarHBondContact OG-CB 3.16Å; S131-D153 PolarHBondContact OG-OD2 3.18Å; K132-D153 HydrophobicContact CB-CB 4.15Å; K132-D153 HydrophobicContact CD-CB 4.17Å; K132-D153 HydrophobicContact CG-CB 4.22Å; G151-D153 VanDerWaalsContact CA-OD1 3.3Å; G151-D153 WeakPolarHBondContact CA-OD1 3.29Å; G151-D153 PolarHBondContact O-N 2.97Å; D153-L155 PolarHBondContact O-N 2.92Å; D153-L155 PolarHBondContact OD1-N 2.82Å |
| 154 | N | 97.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 12.8 Ų | 12.8 | 16% | 0.16 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 62.3 | 19.1 | -180 | -45.2 | -27 | 0 | 0 | 0 | 112.9 | G151 H173 P174 D175 L176 | G151-N154 PolarHBondContact O-N 2.83Å; N154-H173 HydrophobicContact CB-CB 4.3Å; N154-H173 WeakPolarHBondContact CB-O 3.4Å; N154-P174 PolarHBondContact ND2-O 2.94Å; N154-D175 VanDerWaalsContact CG-O 3.31Å; N154-D175 VanDerWaalsContact ND2-CA 3.35Å; N154-D175 WeakPolarHBondContact ND2-CA 3.29Å; N154-D175 PolarHBondContact ND2-N 2.86Å; N154-D175 VanDerWaalsContact OD1-C 3.22Å; N154-D175 PolarHBondContact OD1-O 3.46Å; N154-L176 WeakPolarHBondContact OD1-CA 3.43Å; N154-L176 PolarHBondContact OD1-N 2.85Å |
| 155 | L | 97.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 14.3 Ų | 14.3 | 17% | 0.168 | 9% | 0.085 | C | C | . | . | trans | -92.8 | 142.7 | 176.2 | -164.4 | 71.4 | 0 | 0 | 0 | 109.5 | H130 A150 G151 D153 I157 S169 M170 D171 | H130-L155 PolarHBondContact CE1-O 3.15Å; H130-L155 VanDerWaalsContact CE1-O 3.26Å; A150-L155 WeakPolarHBondContact CA-O 3.28Å; G151-L155 PolarHBondContact N-O 2.94Å; G151-L155 VanDerWaalsContact N-O 3.14Å; D153-L155 PolarHBondContact O-N 2.92Å; D153-L155 PolarHBondContact OD1-N 2.82Å; L155-I157 HydrophobicContact CD2-CD1 3.64Å; L155-I157 HydrophobicContact CD2-CG1 3.61Å; L155-I157 HydrophobicContact CG-CD1 4.47Å; L155-I157 HydrophobicContact CG-CG1 3.94Å; L155-S169 WeakPolarHBondContact CD1-OG 3.38Å; L155-M170 WeakPolarHBondContact CD1-O 3.45Å; L155-D171 HydrophobicContact CD1-CB 3.75Å | ||
| 156 | I | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.9 | 165.3 | -60.9 | 177.9 | 0 | 0 | 0 | 107.4 | L148 T149 A150 S169 M170 I177 F189 T191 | L148-I156 HydrophobicContact CD1-CG2 3.8Å; L148-I156 HydrophobicContact CD2-CG2 3.94Å; L148-I156 HydrophobicContact CG-CG2 3.76Å; T149-I156 WeakPolarHBondContact O-CA 3.44Å; A150-I156 HydrophobicContact CB-CG1 4.12Å; I156-S169 CarbonylContact O-C 3.44Å; I156-S169 WeakPolarHBondContact O-CA 3.18Å; I156-M170 HydrophobicContact CB-CB 4.38Å; I156-M170 PolarHBondContact N-O 2.88Å; I156-M170 PolarHBondContact O-N 3.46Å; I156-I177 HydrophobicContact CD1-CD1 3.94Å; I156-I177 HydrophobicContact CG1-CD1 3.54Å; I156-F189 HydrophobicContact CD1-CE2 3.64Å; I156-F189 HydrophobicContact CD1-CZ 4.06Å; I156-F189 HydrophobicContact CG2-CZ 4.31Å; I156-T191 HydrophobicContact CD1-CG2 3.82Å |
| 157 | I | 98.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.5 | 174.6 | -51.9 | 174.3 | 0 | 0 | 0 | 109 | L148 T149 L155 W159 P166 I168 | L148-I157 WeakPolarHBondContact CA-O 3.23Å; T149-I157 PolarHBondContact N-O 3.27Å; T149-I157 PolarHBondContact O-N 3.27Å; T149-I157 PolarHBondContact OG1-O 3.46Å; L155-I157 HydrophobicContact CD2-CD1 3.64Å; L155-I157 HydrophobicContact CD2-CG1 3.61Å; L155-I157 HydrophobicContact CG-CD1 4.47Å; L155-I157 HydrophobicContact CG-CG1 3.94Å; I157-W159 HydrophobicContact CB-CZ2 3.81Å; I157-W159 HydrophobicContact CD1-CH2 4.06Å; I157-W159 HydrophobicContact CD1-CZ2 3.55Å; I157-W159 HydrophobicContact CG1-CZ2 4.29Å; I157-W159 HydrophobicContact CG2-CD2 3.75Å; I157-W159 HydrophobicContact CG2-CE3 4.27Å; I157-W159 HydrophobicContact CG2-CG 4.29Å; I157-W159 HydrophobicContact CG2-CH2 3.99Å; I157-W159 HydrophobicContact CG2-CZ2 3.44Å; I157-W159 VanDerWaalsContact CG2-CZ2 3.44Å; I157-W159 HydrophobicContact CG2-CZ3 4.37Å; I157-P166 HydrophobicContact CG2-CB 3.8Å; I157-I168 WeakPolarHBondContact CA-O 3.46Å |
| 158 | I | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.9 | 171.3 | -59.8 | 170.5 | 0 | 0 | 0 | 108 | I146 L147 L148 L167 I168 W182 P203 W377 | I146-I158 HydrophobicContact CG2-CG2 3.49Å; I146-I158 VanDerWaalsContact CG2-CG2 3.49Å; L147-I158 CarbonylContact O-C 3.52Å; L147-I158 WeakPolarHBondContact O-CA 3.39Å; L148-I158 HydrophobicContact CB-CG1 4.31Å; L148-I158 HydrophobicContact CD1-CD1 4.33Å; L148-I158 HydrophobicContact CD1-CG1 4.07Å; L148-I158 HydrophobicContact CG-CG1 4.14Å; I158-L167 PolarHBondContact O-N 2.99Å; I158-I168 HydrophobicContact CB-CB 4.17Å; I158-I168 HydrophobicContact CD1-CB 4.34Å; I158-I168 HydrophobicContact CD1-CD1 4.33Å; I158-I168 HydrophobicContact CD1-CG2 4.45Å; I158-I168 PolarHBondContact N-O 3.14Å; I158-I168 PolarHBondContact O-N 3.29Å; I158-W182 HydrophobicContact CD1-CH2 3.87Å; I158-W182 HydrophobicContact CD1-CZ2 4.18Å; I158-P203 HydrophobicContact CD1-CB 3.3Å; I158-P203 HydrophobicContact CD1-CG 4.24Å; I158-W377 HydrophobicContact CD1-CH2 4.21Å; I158-W377 HydrophobicContact CG2-CH2 4.09Å; I158-W377 HydrophobicContact CG2-CZ3 4.27Å |
| 159 | W | 98.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 147.2 | -171.7 | -53.7 | 89.9 | 0 | 0 | 0 | 111.1 | L127 E128 I146 L147 T149 I157 P166 | L127-W159 HydrophobicContact CB-CD2 4.08Å; L127-W159 HydrophobicContact CB-CE3 4.24Å; L127-W159 HydrophobicContact CB-CH2 4.34Å; L127-W159 HydrophobicContact CB-CZ2 4.16Å; L127-W159 HydrophobicContact CB-CZ3 4.36Å; L127-W159 HydrophobicContact CD1-CB 4.13Å; L127-W159 HydrophobicContact CD1-CD2 4.14Å; L127-W159 HydrophobicContact CD1-CG 3.82Å; L127-W159 HydrophobicContact CD2-CB 4.19Å; L127-W159 HydrophobicContact CD2-CD2 3.92Å; L127-W159 HydrophobicContact CD2-CE3 3.76Å; L127-W159 HydrophobicContact CD2-CG 4.12Å; L127-W159 HydrophobicContact CD2-CZ3 4.43Å; L127-W159 HydrophobicContact CG-CD2 4.27Å; L127-W159 HydrophobicContact CG-CE3 4.47Å; L127-W159 HydrophobicContact CG-CG 4.41Å; E128-W159 WeakPolarHBondContact O-CH2 3.48Å; I146-W159 WeakPolarHBondContact CA-O 3.43Å; L147-W159 PolarHBondContact N-O 3.48Å; L147-W159 VanDerWaalsContact N-O 3.08Å; L147-W159 PolarHBondContact O-N 3.19Å; T149-W159 PolarHBondContact OG1-NE1 2.88Å; I157-W159 HydrophobicContact CB-CZ2 3.81Å; I157-W159 HydrophobicContact CD1-CH2 4.06Å; I157-W159 HydrophobicContact CD1-CZ2 3.55Å; I157-W159 HydrophobicContact CG1-CZ2 4.29Å; I157-W159 HydrophobicContact CG2-CD2 3.75Å; I157-W159 HydrophobicContact CG2-CE3 4.27Å; I157-W159 HydrophobicContact CG2-CG 4.29Å; I157-W159 HydrophobicContact CG2-CH2 3.99Å; I157-W159 HydrophobicContact CG2-CZ2 3.44Å; I157-W159 VanDerWaalsContact CG2-CZ2 3.44Å; I157-W159 HydrophobicContact CG2-CZ3 4.37Å; W159-P166 HydrophobicContact CE3-CB 3.79Å; W159-P166 HydrophobicContact CE3-CG 4.45Å; W159-P166 HydrophobicContact CH2-CB 4.24Å; W159-P166 HydrophobicContact CZ3-CB 3.64Å; W159-P166 HydrophobicContact CZ3-CG 3.99Å |
| 160 | N | 96.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 5% | 0.048 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 105.1 | 156.3 | -175 | -20.3 | 0 | 0 | 0 | 108.2 | G162 T163 G164 E165 L167 P374 | N160-G162 PolarHBondContact O-N 3.13Å; N160-G162 WeakPolarHBondContact OD1-CA 3.42Å; N160-G162 PolarHBondContact OD1-N 3.11Å; N160-T163 PolarHBondContact O-N 3.34Å; N160-T163 PolarHBondContact O-OG1 3.47Å; N160-G164 WeakPolarHBondContact O-CA 3.42Å; N160-G164 PolarHBondContact O-N 2.89Å; N160-E165 PolarHBondContact N-O 3.34Å; N160-E165 PolarHBondContact O-N 2.95Å; N160-L167 HydrophobicContact CB-CD1 3.91Å; N160-L167 HydrophobicContact CB-CD2 3.95Å; N160-L167 HydrophobicContact CB-CG 3.91Å; N160-P374 WeakPolarHBondContact ND2-CB 3.44Å |
| 161 | V | 95.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.7 | 179.6 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | V108 V125 W139 N145 L147 T163 L402 | V108-V161 HydrophobicContact CB-CG1 4.02Å; V108-V161 HydrophobicContact CG1-CG1 3.95Å; V108-V161 HydrophobicContact CG2-CG1 3.71Å; V108-V161 HydrophobicContact CG2-CG2 4.25Å; V125-V161 HydrophobicContact CB-CG1 4.48Å; V125-V161 HydrophobicContact CG2-CG1 4.04Å; V125-V161 WeakPolarHBondContact CG2-O 3.48Å; W139-V161 HydrophobicContact CH2-CB 4.34Å; W139-V161 HydrophobicContact CH2-CG1 4.25Å; W139-V161 HydrophobicContact CH2-CG2 3.88Å; W139-V161 HydrophobicContact CZ3-CB 4.35Å; W139-V161 HydrophobicContact CZ3-CG2 3.82Å; N145-V161 HydrophobicContact CB-CB 4.36Å; N145-V161 WeakPolarHBondContact O-CB 3.47Å; N145-V161 WeakPolarHBondContact O-CG2 3.38Å; N145-V161 PolarHBondContact O-N 2.84Å; L147-V161 HydrophobicContact CB-CG2 3.59Å; L147-V161 HydrophobicContact CD2-CG2 4.05Å; L147-V161 HydrophobicContact CG-CG2 4.47Å; V161-T163 VanDerWaalsContact C-N 3.26Å; V161-T163 PolarHBondContact O-N 3.22Å; V161-L402 HydrophobicContact CG1-CD2 3.8Å |
| 162 | G | 92.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N160 V404 A405 | N160-G162 PolarHBondContact O-N 3.13Å; N160-G162 WeakPolarHBondContact OD1-CA 3.42Å; N160-G162 PolarHBondContact OD1-N 3.11Å; G162-V404 CarbonylContact O-C 3.57Å; G162-V404 VanDerWaalsContact O-CA 3.27Å; G162-V404 WeakPolarHBondContact O-CA 3.47Å; G162-A405 PolarHBondContact O-N 2.99Å |
| 163 | T | 92.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 14% | 0.141 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -20.8 | 177.1 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | N160 V161 E165 | N160-T163 PolarHBondContact O-N 3.34Å; N160-T163 PolarHBondContact O-OG1 3.47Å; V161-T163 VanDerWaalsContact C-N 3.26Å; V161-T163 PolarHBondContact O-N 3.22Å; T163-E165 WeakPolarHBondContact OG1-CB 3.39Å; T163-E165 PolarHBondContact OG1-N 3.07Å |
| 164 | G | 92.5 | Very high | 96 | Very high | 25 Ų | 25 | 33.2 Ų | 33.2 | 26% | 0.258 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 12.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N160 | N160-G164 WeakPolarHBondContact O-CA 3.42Å; N160-G164 PolarHBondContact O-N 2.89Å |
| 165 | E | 93 | Very high | 96 | Very high | 79 Ų | 79 | 34.3 Ų | 34.3 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 141.4 | -176.2 | -63.9 | 173.8 | 160.8 | 0 | 0 | 111.3 | N160 T163 L167 | N160-E165 PolarHBondContact N-O 3.34Å; N160-E165 PolarHBondContact O-N 2.95Å; T163-E165 WeakPolarHBondContact OG1-CB 3.39Å; T163-E165 PolarHBondContact OG1-N 3.07Å; E165-L167 PolarHBondContact O-N 3.35Å |
| 166 | P | 96.6 | Very high | 96 | Very high | 82 Ų | 82 | 34.8 Ų | 34.8 | 53% | 0.532 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 125.5 | 167.6 | 29.3 | -30.7 | 0 | 0 | 0 | 109.3 | I157 W159 | I157-P166 HydrophobicContact CG2-CB 3.8Å; W159-P166 HydrophobicContact CE3-CB 3.79Å; W159-P166 HydrophobicContact CE3-CG 4.45Å; W159-P166 HydrophobicContact CH2-CB 4.24Å; W159-P166 HydrophobicContact CZ3-CB 3.64Å; W159-P166 HydrophobicContact CZ3-CG 3.99Å |
| 167 | L | 96.5 | Very high | 95.9 | Very high | 41 Ų | 41 | 35 Ų | 35 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -47.4 | 176.8 | -63.1 | 178.5 | 0 | 0 | 0 | 111.5 | I146 I158 N160 E165 | I146-L167 HydrophobicContact CD1-CD1 3.34Å; I158-L167 PolarHBondContact O-N 2.99Å; N160-L167 HydrophobicContact CB-CD1 3.91Å; N160-L167 HydrophobicContact CB-CD2 3.95Å; N160-L167 HydrophobicContact CB-CG 3.91Å; E165-L167 PolarHBondContact O-N 3.35Å |
| 168 | I | 97.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.8 | -174.1 | -63.5 | 159 | 0 | 0 | 0 | 108.2 | I157 I158 M170 P203 R204 R206 W377 L378 | I157-I168 WeakPolarHBondContact CA-O 3.46Å; I158-I168 HydrophobicContact CB-CB 4.17Å; I158-I168 HydrophobicContact CD1-CB 4.34Å; I158-I168 HydrophobicContact CD1-CD1 4.33Å; I158-I168 HydrophobicContact CD1-CG2 4.45Å; I158-I168 PolarHBondContact N-O 3.14Å; I158-I168 PolarHBondContact O-N 3.29Å; I168-M170 HydrophobicContact CG2-CG 4.09Å; I168-P203 HydrophobicContact CD1-CB 4.15Å; I168-P203 WeakPolarHBondContact CG2-O 3.36Å; I168-R204 HydrophobicContact CD1-CG 4.37Å; I168-R206 HydrophobicContact CG2-CG 4.01Å; I168-W377 HydrophobicContact CD1-CH2 3.81Å; I168-W377 HydrophobicContact CD1-CZ3 3.99Å; I168-L378 HydrophobicContact CD1-CD1 4.08Å; I168-L378 HydrophobicContact CG1-CD1 4.4Å |
| 169 | S | 96.9 | Very high | 95.9 | Very high | 52 Ų | 52 | 36.8 Ų | 36.8 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134.5 | 173.1 | -169.8 | 0 | 0 | 0 | 0 | 108.3 | L155 I156 | L155-S169 WeakPolarHBondContact CD1-OG 3.38Å; I156-S169 CarbonylContact O-C 3.44Å; I156-S169 WeakPolarHBondContact O-CA 3.18Å |
| 170 | M | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126 | 179.9 | -62.1 | -179 | 64.9 | 0 | 0 | 110 | L155 I156 I168 D172 F189 C201 R206 | L155-M170 WeakPolarHBondContact CD1-O 3.45Å; I156-M170 HydrophobicContact CB-CB 4.38Å; I156-M170 PolarHBondContact N-O 2.88Å; I156-M170 PolarHBondContact O-N 3.46Å; I168-M170 HydrophobicContact CG2-CG 4.09Å; M170-D172 VanDerWaalsContact CE-OD2 3.24Å; M170-D172 WeakPolarHBondContact CE-OD2 3.45Å; M170-F189 HydrophobicContact CE-CZ 4.4Å; M170-F189 HydrophobicContact SD-CE1 4.06Å; M170-F189 HydrophobicContact SD-CZ 3.72Å; M170-C201 HydrophobicContact CE-CB 4.06Å; M170-R206 HydrophobicContact CG-CB 4.46Å |
| 171 | D | 95.4 | Very high | 95.9 | Very high | 128 Ų | 128 | 37.8 Ų | 37.8 | 68% | 0.684 | 22% | 0.222 | S | C | * | . | trans | -118.5 | 21.8 | -177.7 | 61.4 | -21.9 | 0 | 0 | 0 | 112.9 | L155 H173 | L155-D171 HydrophobicContact CD1-CB 3.75Å; D171-H173 PolarHBondContact O-N 3.17Å | ||
| 172 | D | 91.3 | Very high | 96 | Very high | 72 Ų | 72 | 38.8 Ų | 38.8 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | trans | -69.5 | -11 | -177 | -60.1 | -56.1 | 0 | 0 | 0 | 114.3 | M170 P174 V208 | M170-D172 VanDerWaalsContact CE-OD2 3.24Å; M170-D172 WeakPolarHBondContact CE-OD2 3.45Å; D172-P174 WeakPolarHBondContact O-CD 3.42Å; D172-V208 HydrophobicContact CB-CG2 4.33Å | ||
| 173 | H | 96.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | trans | -92.4 | 118.4 | -175.2 | -66 | 82.3 | 0 | 0 | 0 | 111.7 | N154 D171 D175 I177 T191 | N154-H173 HydrophobicContact CB-CB 4.3Å; N154-H173 WeakPolarHBondContact CB-O 3.4Å; D171-H173 PolarHBondContact O-N 3.17Å; H173-D175 PolarHBondContact O-N 2.68Å; H173-I177 HydrophobicContact CB-CD1 4.13Å; H173-I177 HydrophobicContact CB-CG1 3.94Å; H173-T191 PolarHBondContact NE2-OG1 3.29Å | ||
| 174 | P | 96.8 | Very high | 96.3 | Very high | 90 Ų | 90 | 42 Ų | 42 | 58% | 0.584 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -80.6 | -15.2 | -175.8 | 31.9 | -36.2 | 0 | 0 | 0 | 114.2 | N154 D172 D195 | N154-P174 PolarHBondContact ND2-O 2.94Å; D172-P174 WeakPolarHBondContact O-CD 3.42Å; P174-D195 HydrophobicContact CG-CB 4.04Å; P174-D195 WeakPolarHBondContact CG-OD2 3.49Å |
| 175 | D | 97.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -144.4 | 179.9 | 179.9 | -155.7 | -19.3 | 0 | 0 | 0 | 110.2 | N154 H173 I177 C193 K194 | N154-D175 VanDerWaalsContact CG-O 3.31Å; N154-D175 VanDerWaalsContact ND2-CA 3.35Å; N154-D175 WeakPolarHBondContact ND2-CA 3.29Å; N154-D175 PolarHBondContact ND2-N 2.86Å; N154-D175 VanDerWaalsContact OD1-C 3.22Å; N154-D175 PolarHBondContact OD1-O 3.46Å; H173-D175 PolarHBondContact O-N 2.68Å; D175-I177 PolarHBondContact O-N 3.2Å; D175-C193 VanDerWaalsContact C-SG 3.6Å; D175-C193 PolarHBondContact O-SG 3.49Å; D175-K194 HydrophobicContact CB-CB 4.06Å; D175-K194 IonicContact OD1-NZ 2.57Å; D175-K194 PolarHBondContact OD1-NZ 2.7Å; D175-K194 VanDerWaalsContact OD1-NZ 3.08Å; D175-K194 WeakPolarHBondContact OD2-CG 3.49Å; D175-K194 IonicContact OD2-NZ 3.29Å; D175-K194 PolarHBondContact OD2-NZ 3.28Å |
| 176 | L | 96.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | trans | -51.7 | 127.8 | -173.2 | -175.9 | 65.2 | 0 | 0 | 0 | 112.4 | N154 Y178 C193 K194 | N154-L176 WeakPolarHBondContact OD1-CA 3.43Å; N154-L176 PolarHBondContact OD1-N 2.85Å; L176-Y178 HydrophobicContact CD2-CD1 4.33Å; L176-Y178 HydrophobicContact CD2-CE1 4Å; L176-Y178 HydrophobicContact CG-CE1 4.47Å; L176-C193 WeakPolarHBondContact O-CA 3.39Å; L176-K194 HydrophobicContact CB-CB 4.18Å; L176-K194 HydrophobicContact CB-CD 4.31Å; L176-K194 PolarHBondContact O-N 3.3Å | ||
| 177 | I | 98.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 122.1 | 172.4 | -58.3 | 161.6 | 0 | 0 | 0 | 108 | I136 A150 I156 H173 D175 V180 | I136-I177 HydrophobicContact CD1-CG2 3.99Å; A150-I177 HydrophobicContact CB-CD1 4.15Å; A150-I177 HydrophobicContact CB-CG2 4.46Å; I156-I177 HydrophobicContact CD1-CD1 3.94Å; I156-I177 HydrophobicContact CG1-CD1 3.54Å; H173-I177 HydrophobicContact CB-CD1 4.13Å; H173-I177 HydrophobicContact CB-CG1 3.94Å; D175-I177 PolarHBondContact O-N 3.2Å; I177-V180 HydrophobicContact CG2-CG2 3.83Å |
| 178 | Y | 97.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -47 | 179.1 | -68.8 | -46.2 | 0 | 0 | 0 | 112 | I136 L176 T192 K194 P221 R223 | I136-Y178 WeakPolarHBondContact CD1-O 3.2Å; L176-Y178 HydrophobicContact CD2-CD1 4.33Å; L176-Y178 HydrophobicContact CD2-CE1 4Å; L176-Y178 HydrophobicContact CG-CE1 4.47Å; Y178-T192 WeakPolarHBondContact CB-OG1 3.5Å; Y178-T192 PolarHBondContact N-O 3.37Å; Y178-K194 HydrophobicContact CE1-CB 4.35Å; Y178-K194 VanDerWaalsContact CE2-CA 3.44Å; Y178-K194 HydrophobicContact CE2-CB 3.79Å; Y178-K194 HydrophobicContact CE2-CG 4.41Å; Y178-K194 WeakPolarHBondContact OH-CB 3.46Å; Y178-K194 WeakPolarHBondContact OH-CD 3.5Å; Y178-K194 VanDerWaalsContact OH-CG 3.28Å; Y178-K194 WeakPolarHBondContact OH-CG 3.37Å; Y178-P221 HydrophobicContact CD1-CB 3.9Å; Y178-P221 HydrophobicContact CD1-CG 4.32Å; Y178-P221 HydrophobicContact CD2-CB 4.1Å; Y178-P221 HydrophobicContact CE1-CB 3.9Å; Y178-P221 HydrophobicContact CE1-CG 3.86Å; Y178-P221 HydrophobicContact CE2-CB 4.08Å; Y178-P221 HydrophobicContact CE2-CG 4.47Å; Y178-P221 HydrophobicContact CG-CB 4Å; Y178-R223 PolarHBondContact O-NH1 2.92Å |
| 179 | S | 97.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 154 | -179.9 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | T191 T192 A224 | S179-T191 VanDerWaalsContact O-CA 3.26Å; S179-T191 WeakPolarHBondContact O-CA 3.14Å; S179-T192 PolarHBondContact N-OG1 3.28Å; S179-T192 PolarHBondContact O-N 3.19Å; S179-T192 VanDerWaalsContact O-N 3.08Å; S179-T192 PolarHBondContact OG-OG1 3.41Å; S179-A224 PolarHBondContact OG-N 3.19Å; S179-A224 VanDerWaalsContact OG-N 3.13Å |
| 180 | V | 98.3 | Very high | 96.8 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 10% | 0.097 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.9 | 170.7 | -174.9 | 0 | 0 | 0 | 0 | 108 | I136 T138 L148 A150 I177 F189 C190 T191 | I136-V180 HydrophobicContact CD1-CG2 4.17Å; I136-V180 HydrophobicContact CG2-CB 4.18Å; I136-V180 HydrophobicContact CG2-CG2 4.2Å; T138-V180 HydrophobicContact CG2-CG1 4.47Å; L148-V180 HydrophobicContact CD1-CG1 3.86Å; L148-V180 HydrophobicContact CD2-CB 4.11Å; L148-V180 HydrophobicContact CD2-CG1 3.68Å; L148-V180 HydrophobicContact CD2-CG2 4.17Å; L148-V180 HydrophobicContact CG-CG1 4.46Å; A150-V180 HydrophobicContact CB-CG2 4.12Å; I177-V180 HydrophobicContact CG2-CG2 3.83Å; V180-F189 HydrophobicContact CG1-CB 4.24Å; V180-F189 HydrophobicContact CG1-CD2 3.68Å; V180-F189 HydrophobicContact CG1-CE2 4.39Å; V180-F189 HydrophobicContact CG1-CG 4.2Å; V180-C190 CarbonylContact C-O 3.53Å; V180-C190 VanDerWaalsContact CA-O 3.3Å; V180-C190 WeakPolarHBondContact CA-O 3.04Å; V180-T191 HydrophobicContact CG1-CG2 4.28Å; V180-T191 HydrophobicContact CG2-CG2 4.04Å |
| 181 | S | 97.8 | Very high | 96.8 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 126.4 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | F189 C190 I225 F226 | S181-F189 CarbonylContact O-C 3.58Å; S181-F189 WeakPolarHBondContact O-CA 3.44Å; S181-F189 WeakPolarHBondContact O-CB 3.48Å; S181-C190 PolarHBondContact N-O 3Å; S181-C190 PolarHBondContact O-N 3.01Å; S181-I225 WeakPolarHBondContact OG-CA 3.48Å; S181-F226 WeakPolarHBondContact O-CD2 3.45Å; S181-F226 PolarHBondContact OG-N 2.81Å |
| 182 | W | 98.1 | Very high | 96.9 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 8% | 0.076 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 145.7 | 171.1 | -71.1 | 107.5 | 0 | 0 | 0 | 111.5 | W139 H140 P141 L148 I158 G186 F189 P203 W377 | W139-W182 VanDerWaalsContact O-CD1 3.31Å; H140-W182 AromaticContact CD2-CH2 3.73Å; H140-W182 AromaticContact CD2-CZ2 3.83Å; H140-W182 AromaticContact CD2-CZ3 3.83Å; P141-W182 HydrophobicContact CG-CB 4.1Å; L148-W182 HydrophobicContact CB-CZ2 3.99Å; L148-W182 HydrophobicContact CD1-CH2 4.37Å; L148-W182 HydrophobicContact CD1-CZ2 3.64Å; L148-W182 HydrophobicContact CG-CZ2 4.47Å; I158-W182 HydrophobicContact CD1-CH2 3.87Å; I158-W182 HydrophobicContact CD1-CZ2 4.18Å; W182-G186 WeakPolarHBondContact CZ3-O 3.36Å; W182-F189 HydrophobicContact CD2-CB 4.12Å; W182-F189 HydrophobicContact CE3-CB 3.89Å; W182-F189 HydrophobicContact CE3-CD1 4.44Å; W182-F189 HydrophobicContact CH2-CD1 4.1Å; W182-F189 HydrophobicContact CZ3-CB 4.29Å; W182-F189 AromaticContact CZ3-CD1 3.98Å; W182-F189 HydrophobicContact CZ3-CD1 3.98Å; W182-P203 HydrophobicContact CH2-CB 4.4Å; W182-P203 HydrophobicContact CH2-CG 3.9Å; W182-P203 HydrophobicContact CZ3-CG 3.84Å; W182-W377 HydrophobicContact CH2-CH2 4.39Å; W182-W377 AromaticContact CH2-CZ2 3.96Å; W182-W377 HydrophobicContact CH2-CZ2 3.96Å; W182-W377 HydrophobicContact CZ3-CZ2 4.28Å |
| 183 | N | 97.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 23.1 Ų | 23.1 | 10% | 0.102 | 12% | 0.122 | C | C | . | . | trans | -73.9 | 173.6 | 164.3 | 74.9 | -18.7 | 0 | 0 | 0 | 110.6 | P141 N185 G186 S187 L188 F226 | P141-N183 WeakPolarHBondContact CG-O 3.25Å; N183-N185 PolarHBondContact ND2-OD1 3.29Å; N183-N185 PolarHBondContact O-N 2.96Å; N183-N185 PolarHBondContact OD1-OD1 3.42Å; N183-G186 PolarHBondContact O-N 2.68Å; N183-G186 VanDerWaalsContact O-N 3.13Å; N183-G186 VanDerWaalsContact OD1-C 3.31Å; N183-G186 WeakPolarHBondContact OD1-CA 3.14Å; N183-G186 PolarHBondContact OD1-N 3.31Å; N183-S187 PolarHBondContact ND2-OG 3.39Å; N183-S187 PolarHBondContact OD1-N 2.65Å; N183-L188 VanDerWaalsContact CG-O 3.3Å; N183-L188 PolarHBondContact N-O 3.25Å; N183-L188 PolarHBondContact OD1-N 3.28Å; N183-L188 VanDerWaalsContact OD1-N 3.08Å; N183-L188 PolarHBondContact OD1-O 2.8Å; N183-F226 VanDerWaalsContact CA-CD2 3.49Å; N183-F226 HydrophobicContact CB-CB 4.18Å; N183-F226 HydrophobicContact CB-CD1 3.94Å; N183-F226 HydrophobicContact CB-CD2 3.58Å; N183-F226 HydrophobicContact CB-CE1 4.16Å; N183-F226 HydrophobicContact CB-CE2 3.77Å; N183-F226 HydrophobicContact CB-CG 3.64Å; N183-F226 HydrophobicContact CB-CZ 4.07Å; N183-F226 VanDerWaalsContact N-CD2 3.33Å | ||
| 184 | R | 94.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 27.4 Ų | 27.4 | 31% | 0.309 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -43.2 | -170.7 | -173.6 | 177.6 | -174.5 | 170.8 | 2.3 | 114.5 | P385 | R184-P385 HydrophobicContact CG-CG 4.29Å; R184-P385 WeakPolarHBondContact O-CG 3.37Å |
| 185 | N | 94.8 | Very high | 97.2 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 16% | 0.16 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -6.8 | -178.6 | 66.4 | -5.4 | 0 | 0 | 0 | 113.3 | T142 N183 S187 E383 | T142-N185 PolarHBondContact OG1-O 2.82Å; N183-N185 PolarHBondContact ND2-OD1 3.29Å; N183-N185 PolarHBondContact O-N 2.96Å; N183-N185 PolarHBondContact OD1-OD1 3.42Å; N185-S187 VanDerWaalsContact C-N 3.3Å; N185-S187 PolarHBondContact ND2-OG 3.2Å; N185-S187 VanDerWaalsContact OD1-CB 3.31Å; N185-S187 WeakPolarHBondContact OD1-CB 3.35Å; N185-S187 PolarHBondContact OD1-N 3.03Å; N185-S187 PolarHBondContact OD1-OG 3.12Å; N185-E383 WeakPolarHBondContact CB-O 3.41Å |
| 186 | G | 96.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 74 | 14.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | H140 W182 N183 L188 W377 | H140-G186 WeakPolarHBondContact NE2-CA 3.39Å; H140-G186 PolarHBondContact NE2-O 2.69Å; W182-G186 WeakPolarHBondContact CZ3-O 3.36Å; N183-G186 PolarHBondContact O-N 2.68Å; N183-G186 VanDerWaalsContact O-N 3.13Å; N183-G186 VanDerWaalsContact OD1-C 3.31Å; N183-G186 WeakPolarHBondContact OD1-CA 3.14Å; N183-G186 PolarHBondContact OD1-N 3.31Å; G186-L188 VanDerWaalsContact C-N 3.31Å; G186-W377 PolarHBondContact O-NE1 2.77Å |
| 187 | S | 96.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -72.2 | -27.7 | 176 | 73.6 | 0 | 0 | 0 | 0 | 112.6 | N183 N185 D382 | N183-S187 PolarHBondContact ND2-OG 3.39Å; N183-S187 PolarHBondContact OD1-N 2.65Å; N185-S187 VanDerWaalsContact C-N 3.3Å; N185-S187 PolarHBondContact ND2-OG 3.2Å; N185-S187 VanDerWaalsContact OD1-CB 3.31Å; N185-S187 WeakPolarHBondContact OD1-CB 3.35Å; N185-S187 PolarHBondContact OD1-N 3.03Å; N185-S187 PolarHBondContact OD1-OG 3.12Å; S187-D382 VanDerWaalsContact CB-CG 3.48Å; S187-D382 VanDerWaalsContact CB-OD1 3.25Å; S187-D382 WeakPolarHBondContact CB-OD1 3.23Å; S187-D382 WeakPolarHBondContact CB-OD2 3.26Å |
| 188 | L | 97.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 29 Ų | 29 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | trans | -136.5 | 156 | -177.8 | -60.6 | 173.6 | 0 | 0 | 0 | 110.2 | N183 G186 V200 C201 D202 V209 F226 | N183-L188 VanDerWaalsContact CG-O 3.3Å; N183-L188 PolarHBondContact N-O 3.25Å; N183-L188 PolarHBondContact OD1-N 3.28Å; N183-L188 VanDerWaalsContact OD1-N 3.08Å; N183-L188 PolarHBondContact OD1-O 2.8Å; G186-L188 VanDerWaalsContact C-N 3.31Å; L188-V200 HydrophobicContact CB-CG1 4.18Å; L188-V200 HydrophobicContact CD1-CG1 3.92Å; L188-V200 HydrophobicContact CG-CG1 4.44Å; L188-C201 WeakPolarHBondContact CA-O 3.12Å; L188-C201 WeakPolarHBondContact CD2-O 3.36Å; L188-D202 HydrophobicContact CD2-CB 3.78Å; L188-V209 HydrophobicContact CD2-CG2 4.15Å; L188-F226 HydrophobicContact CB-CZ 4.35Å | ||
| 189 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.2 | 164.8 | 65.6 | -90.3 | 0 | 0 | 0 | 110.4 | L148 I156 M170 V180 S181 W182 T191 C201 P203 | L148-F189 HydrophobicContact CD1-CD1 4.17Å; L148-F189 HydrophobicContact CD1-CD2 4.44Å; L148-F189 HydrophobicContact CD1-CE1 4.37Å; L148-F189 HydrophobicContact CD1-CG 4.21Å; I156-F189 HydrophobicContact CD1-CE2 3.64Å; I156-F189 HydrophobicContact CD1-CZ 4.06Å; I156-F189 HydrophobicContact CG2-CZ 4.31Å; M170-F189 HydrophobicContact CE-CZ 4.4Å; M170-F189 HydrophobicContact SD-CE1 4.06Å; M170-F189 HydrophobicContact SD-CZ 3.72Å; V180-F189 HydrophobicContact CG1-CB 4.24Å; V180-F189 HydrophobicContact CG1-CD2 3.68Å; V180-F189 HydrophobicContact CG1-CE2 4.39Å; V180-F189 HydrophobicContact CG1-CG 4.2Å; S181-F189 CarbonylContact O-C 3.58Å; S181-F189 WeakPolarHBondContact O-CA 3.44Å; S181-F189 WeakPolarHBondContact O-CB 3.48Å; W182-F189 HydrophobicContact CD2-CB 4.12Å; W182-F189 HydrophobicContact CE3-CB 3.89Å; W182-F189 HydrophobicContact CE3-CD1 4.44Å; W182-F189 HydrophobicContact CH2-CD1 4.1Å; W182-F189 HydrophobicContact CZ3-CB 4.29Å; W182-F189 AromaticContact CZ3-CD1 3.98Å; W182-F189 HydrophobicContact CZ3-CD1 3.98Å; F189-T191 HydrophobicContact CD2-CG2 3.51Å; F189-T191 HydrophobicContact CE2-CG2 3.39Å; F189-C201 HydrophobicContact CD1-CB 4.27Å; F189-C201 HydrophobicContact CD2-CB 4.12Å; F189-C201 HydrophobicContact CE1-CB 3.72Å; F189-C201 HydrophobicContact CE2-CB 3.59Å; F189-C201 HydrophobicContact CG-CB 4.45Å; F189-C201 HydrophobicContact CZ-CB 3.38Å; F189-C201 PolarHBondContact N-O 2.99Å; F189-C201 VanDerWaalsContact N-O 3.11Å; F189-C201 PolarHBondContact O-N 2.89Å; F189-P203 HydrophobicContact CD1-CB 4.25Å; F189-P203 HydrophobicContact CD1-CG 4.11Å; F189-P203 HydrophobicContact CE1-CB 3.79Å; F189-P203 HydrophobicContact CE1-CG 4.13Å |
| 190 | C | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 149 | 175 | 71.2 | 0 | 0 | 0 | 0 | 109.9 | V180 S181 L198 R199 F226 I232 | V180-C190 CarbonylContact C-O 3.53Å; V180-C190 VanDerWaalsContact CA-O 3.3Å; V180-C190 WeakPolarHBondContact CA-O 3.04Å; S181-C190 PolarHBondContact N-O 3Å; S181-C190 PolarHBondContact O-N 3.01Å; C190-L198 HydrophobicContact CB-CD1 4.29Å; C190-R199 CarbonylContact C-O 3.15Å; C190-R199 WeakPolarHBondContact CA-O 3.47Å; C190-F226 HydrophobicContact CB-CD2 4.14Å; C190-F226 HydrophobicContact CB-CE2 3.6Å; C190-F226 HydrophobicContact CB-CZ 4.02Å; C190-F226 VanDerWaalsContact N-CE2 3.33Å; C190-I232 HydrophobicContact CB-CD1 4.12Å |
| 191 | T | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.1 | -179.2 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | I156 H173 S179 V180 F189 L198 R199 | I156-T191 HydrophobicContact CD1-CG2 3.82Å; H173-T191 PolarHBondContact NE2-OG1 3.29Å; S179-T191 VanDerWaalsContact O-CA 3.26Å; S179-T191 WeakPolarHBondContact O-CA 3.14Å; V180-T191 HydrophobicContact CG1-CG2 4.28Å; V180-T191 HydrophobicContact CG2-CG2 4.04Å; F189-T191 HydrophobicContact CD2-CG2 3.51Å; F189-T191 HydrophobicContact CE2-CG2 3.39Å; T191-L198 WeakPolarHBondContact O-CA 3.48Å; T191-L198 WeakPolarHBondContact O-CD1 3.27Å; T191-R199 PolarHBondContact N-O 2.81Å; T191-R199 PolarHBondContact O-N 2.89Å |
| 192 | T | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.4 | 169.2 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | Y178 S179 L198 M222 A224 | Y178-T192 WeakPolarHBondContact CB-OG1 3.5Å; Y178-T192 PolarHBondContact N-O 3.37Å; S179-T192 PolarHBondContact N-OG1 3.28Å; S179-T192 PolarHBondContact O-N 3.19Å; S179-T192 VanDerWaalsContact O-N 3.08Å; S179-T192 PolarHBondContact OG-OG1 3.41Å; T192-L198 HydrophobicContact CG2-CD1 3.91Å; T192-M222 VanDerWaalsContact CB-CG 3.43Å; T192-M222 WeakPolarHBondContact CB-O 3.49Å; T192-M222 HydrophobicContact CG2-CG 3.53Å; T192-M222 HydrophobicContact CG2-SD 3.8Å; T192-M222 PolarHBondContact OG1-O 2.68Å; T192-A224 HydrophobicContact CG2-CB 3.45Å; T192-A224 VanDerWaalsContact CG2-CB 3.45Å |
| 193 | C | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 154 | -175.5 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | D175 L176 D195 R196 R197 | D175-C193 VanDerWaalsContact C-SG 3.6Å; D175-C193 PolarHBondContact O-SG 3.49Å; L176-C193 WeakPolarHBondContact O-CA 3.39Å; C193-D195 WeakPolarHBondContact CB-OD1 3.47Å; C193-D195 PolarHBondContact O-N 3.48Å; C193-D195 VanDerWaalsContact SG-CG 3.5Å; C193-D195 PolarHBondContact SG-OD1 2.94Å; C193-D195 VanDerWaalsContact SG-OD1 3.34Å; C193-R196 WeakPolarHBondContact O-CA 3.31Å; C193-R196 PolarHBondContact O-N 3.29Å; C193-R197 PolarHBondContact N-O 3.15Å; C193-R197 VanDerWaalsContact N-O 3.15Å |
| 194 | K | 96.8 | Very high | 97 | Very high | 98 Ų | 98 | 26.8 Ų | 26.8 | 43% | 0.426 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.7 | 176.8 | -179.1 | 165.3 | 157.7 | -103.2 | 0 | 113.8 | D175 L176 Y178 R196 | D175-K194 HydrophobicContact CB-CB 4.06Å; D175-K194 IonicContact OD1-NZ 2.57Å; D175-K194 PolarHBondContact OD1-NZ 2.7Å; D175-K194 VanDerWaalsContact OD1-NZ 3.08Å; D175-K194 WeakPolarHBondContact OD2-CG 3.49Å; D175-K194 IonicContact OD2-NZ 3.29Å; D175-K194 PolarHBondContact OD2-NZ 3.28Å; L176-K194 HydrophobicContact CB-CB 4.18Å; L176-K194 HydrophobicContact CB-CD 4.31Å; L176-K194 PolarHBondContact O-N 3.3Å; Y178-K194 HydrophobicContact CE1-CB 4.35Å; Y178-K194 VanDerWaalsContact CE2-CA 3.44Å; Y178-K194 HydrophobicContact CE2-CB 3.79Å; Y178-K194 HydrophobicContact CE2-CG 4.41Å; Y178-K194 WeakPolarHBondContact OH-CB 3.46Å; Y178-K194 WeakPolarHBondContact OH-CD 3.5Å; Y178-K194 VanDerWaalsContact OH-CG 3.28Å; Y178-K194 WeakPolarHBondContact OH-CG 3.37Å; K194-R196 PolarHBondContact O-N 3.42Å; K194-R196 VanDerWaalsContact O-N 3.11Å |
| 195 | D | 96.1 | Very high | 97 | Very high | 36 Ų | 36 | 29.5 Ų | 29.5 | 19% | 0.193 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 0.4 | 167.6 | 74.5 | -8.2 | 0 | 0 | 0 | 113.9 | P174 C193 R197 R199 | P174-D195 HydrophobicContact CG-CB 4.04Å; P174-D195 WeakPolarHBondContact CG-OD2 3.49Å; C193-D195 WeakPolarHBondContact CB-OD1 3.47Å; C193-D195 PolarHBondContact O-N 3.48Å; C193-D195 VanDerWaalsContact SG-CG 3.5Å; C193-D195 PolarHBondContact SG-OD1 2.94Å; C193-D195 VanDerWaalsContact SG-OD1 3.34Å; D195-R197 VanDerWaalsContact C-N 3.32Å; D195-R197 WeakPolarHBondContact OD1-CB 3.43Å; D195-R197 PolarHBondContact OD1-N 3.2Å; D195-R199 IonicContact OD1-NH1 3.82Å; D195-R199 PolarHBondContact OD1-NH1 3.36Å; D195-R199 IonicContact OD2-CZ 3.41Å; D195-R199 VanDerWaalsContact OD2-CZ 3.25Å; D195-R199 IonicContact OD2-NH1 2.76Å; D195-R199 PolarHBondContact OD2-NH1 2.87Å; D195-R199 IonicContact OD2-NH2 2.82Å; D195-R199 PolarHBondContact OD2-NH2 2.55Å |
| 196 | R | 95.6 | Very high | 97 | Very high | 107 Ų | 107 | 34.8 Ų | 34.8 | 40% | 0.404 | 15% | 0.146 | S | C | . | . | S | Bend | trans | 70.1 | 21.7 | -179.3 | -49.6 | 179.3 | -66.2 | 169.3 | 0 | 113.9 | C193 K194 A214 P215 | C193-R196 WeakPolarHBondContact O-CA 3.31Å; C193-R196 PolarHBondContact O-N 3.29Å; K194-R196 PolarHBondContact O-N 3.42Å; K194-R196 VanDerWaalsContact O-N 3.11Å; R196-A214 WeakPolarHBondContact O-CA 3.44Å; R196-A214 PolarHBondContact O-N 2.93Å; R196-P215 WeakPolarHBondContact O-CD 3.38Å |
| 197 | R | 96.4 | Very high | 97 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 31% | 0.306 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139.3 | 173.7 | -67.2 | 175.7 | 175 | -152.5 | -0.8 | 111.3 | C193 D195 R199 E211 R212 L213 | C193-R197 PolarHBondContact N-O 3.15Å; C193-R197 VanDerWaalsContact N-O 3.15Å; D195-R197 VanDerWaalsContact C-N 3.32Å; D195-R197 WeakPolarHBondContact OD1-CB 3.43Å; D195-R197 PolarHBondContact OD1-N 3.2Å; R197-R199 VanDerWaalsContact CD-NH2 3.3Å; R197-E211 IonicContact CZ-OE1 2.69Å; R197-E211 IonicContact CZ-OE2 3.77Å; R197-E211 IonicContact NH1-OE1 3.04Å; R197-E211 PolarHBondContact NH1-OE1 2.8Å; R197-E211 IonicContact NH1-OE2 3.99Å; R197-E211 PolarHBondContact NH1-OE2 2.88Å; R197-R212 CarbonylContact C-O 3.56Å; R197-R212 VanDerWaalsContact CA-O 3.26Å; R197-R212 WeakPolarHBondContact CA-O 3.41Å; R197-L213 HydrophobicContact CG-CB 4.36Å; R197-L213 HydrophobicContact CG-CD1 3.75Å |
| 198 | L | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.2 | 161.2 | 170.5 | 65 | 0 | 0 | 0 | 107.4 | C190 T191 T192 E211 R212 P215 A224 I232 T234 F253 | C190-L198 HydrophobicContact CB-CD1 4.29Å; T191-L198 WeakPolarHBondContact O-CA 3.48Å; T191-L198 WeakPolarHBondContact O-CD1 3.27Å; T192-L198 HydrophobicContact CG2-CD1 3.91Å; L198-E211 CarbonylContact O-C 3.51Å; L198-E211 WeakPolarHBondContact O-CA 3.29Å; L198-R212 PolarHBondContact N-O 2.85Å; L198-R212 PolarHBondContact O-N 3Å; L198-P215 HydrophobicContact CB-CG 4.01Å; L198-A224 HydrophobicContact CD1-CB 3.51Å; L198-I232 HydrophobicContact CD1-CG2 4.37Å; L198-I232 HydrophobicContact CD2-CD1 4.39Å; L198-I232 HydrophobicContact CD2-CG2 3.94Å; L198-T234 HydrophobicContact CD2-CG2 3.79Å; L198-F253 HydrophobicContact CB-CZ 4.23Å; L198-F253 HydrophobicContact CD2-CE2 3.65Å; L198-F253 HydrophobicContact CD2-CZ 3.41Å; L198-F253 VanDerWaalsContact CD2-CZ 3.41Å; L198-F253 HydrophobicContact CG-CE2 4.32Å; L198-F253 HydrophobicContact CG-CZ 3.61Å |
| 199 | R | 97.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.6 | 179.5 | -65.3 | 176.6 | 175 | 83.6 | -5.3 | 110.6 | C190 T191 D195 R197 V208 A210 E211 | C190-R199 CarbonylContact C-O 3.15Å; C190-R199 WeakPolarHBondContact CA-O 3.47Å; T191-R199 PolarHBondContact N-O 2.81Å; T191-R199 PolarHBondContact O-N 2.89Å; D195-R199 IonicContact OD1-NH1 3.82Å; D195-R199 PolarHBondContact OD1-NH1 3.36Å; D195-R199 IonicContact OD2-CZ 3.41Å; D195-R199 VanDerWaalsContact OD2-CZ 3.25Å; D195-R199 IonicContact OD2-NH1 2.76Å; D195-R199 PolarHBondContact OD2-NH1 2.87Å; D195-R199 IonicContact OD2-NH2 2.82Å; D195-R199 PolarHBondContact OD2-NH2 2.55Å; R197-R199 VanDerWaalsContact CD-NH2 3.3Å; R199-V208 HydrophobicContact CB-CG1 3.91Å; R199-V208 HydrophobicContact CG-CG1 3.94Å; R199-A210 CarbonylContact C-O 3.57Å; R199-A210 WeakPolarHBondContact CA-O 3.46Å; R199-E211 HydrophobicContact CG-CB 4.05Å; R199-E211 IonicContact NE-OE2 3.84Å |
| 200 | V | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.8 | 165.3 | -176 | 0 | 0 | 0 | 0 | 107.2 | L188 V208 V209 A210 F226 I232 P250 F253 | L188-V200 HydrophobicContact CB-CG1 4.18Å; L188-V200 HydrophobicContact CD1-CG1 3.92Å; L188-V200 HydrophobicContact CG-CG1 4.44Å; V200-V208 CarbonylContact O-C 3.41Å; V200-V208 WeakPolarHBondContact O-CA 3.19Å; V200-V209 HydrophobicContact CB-CG2 3.95Å; V200-V209 HydrophobicContact CG1-CG2 3.64Å; V200-V209 WeakPolarHBondContact O-CG2 3.39Å; V200-V209 PolarHBondContact O-N 2.89Å; V200-A210 HydrophobicContact CB-CB 4.17Å; V200-A210 HydrophobicContact CG2-CB 4.34Å; V200-A210 PolarHBondContact N-O 3.31Å; V200-A210 PolarHBondContact O-N 3.39Å; V200-F226 HydrophobicContact CG1-CZ 3.96Å; V200-F226 HydrophobicContact CG2-CZ 4.46Å; V200-I232 HydrophobicContact CG2-CD1 3.41Å; V200-I232 VanDerWaalsContact CG2-CD1 3.41Å; V200-P250 HydrophobicContact CG2-CB 4.08Å; V200-F253 HydrophobicContact CG2-CE1 4.32Å |
| 201 | C | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.4 | -171.9 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | M170 L188 F189 P203 E207 | M170-C201 HydrophobicContact CE-CB 4.06Å; L188-C201 WeakPolarHBondContact CA-O 3.12Å; L188-C201 WeakPolarHBondContact CD2-O 3.36Å; F189-C201 HydrophobicContact CD1-CB 4.27Å; F189-C201 HydrophobicContact CD2-CB 4.12Å; F189-C201 HydrophobicContact CE1-CB 3.72Å; F189-C201 HydrophobicContact CE2-CB 3.59Å; F189-C201 HydrophobicContact CG-CB 4.45Å; F189-C201 HydrophobicContact CZ-CB 3.38Å; F189-C201 PolarHBondContact N-O 2.99Å; F189-C201 VanDerWaalsContact N-O 3.11Å; F189-C201 PolarHBondContact O-N 2.89Å; C201-P203 WeakPolarHBondContact O-CD 2.8Å; C201-E207 WeakPolarHBondContact CA-O 3.27Å |
| 202 | D | 97.4 | Very high | 96.6 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 106 | 163.1 | -175.4 | -29.2 | 0 | 0 | 0 | 107.9 | L188 R204 K205 R206 E207 V209 | L188-D202 HydrophobicContact CD2-CB 3.78Å; D202-R204 VanDerWaalsContact C-N 3.3Å; D202-R204 PolarHBondContact O-N 3.29Å; D202-R204 PolarHBondContact OD1-N 3.35Å; D202-K205 HydrophobicContact CB-CB 4.21Å; D202-K205 PolarHBondContact O-N 3.28Å; D202-K205 PolarHBondContact OD1-N 2.8Å; D202-K205 WeakPolarHBondContact OD2-CD 3.28Å; D202-K205 WeakPolarHBondContact OD2-CE 3.45Å; D202-K205 WeakPolarHBondContact OD2-CG 3.22Å; D202-K205 IonicContact OD2-NZ 3.85Å; D202-K205 PolarHBondContact OD2-NZ 2.98Å; D202-R206 PolarHBondContact O-N 3.08Å; D202-E207 PolarHBondContact N-O 2.83Å; D202-E207 PolarHBondContact O-N 2.95Å; D202-V209 HydrophobicContact CB-CG1 3.76Å |
| 203 | P | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -40.4 | -177.8 | 18.7 | -28.6 | 0 | 0 | 0 | 112.7 | I158 I168 W182 F189 C201 K205 R206 W377 | I158-P203 HydrophobicContact CD1-CB 3.3Å; I158-P203 HydrophobicContact CD1-CG 4.24Å; I168-P203 HydrophobicContact CD1-CB 4.15Å; I168-P203 WeakPolarHBondContact CG2-O 3.36Å; W182-P203 HydrophobicContact CH2-CB 4.4Å; W182-P203 HydrophobicContact CH2-CG 3.9Å; W182-P203 HydrophobicContact CZ3-CG 3.84Å; F189-P203 HydrophobicContact CD1-CB 4.25Å; F189-P203 HydrophobicContact CD1-CG 4.11Å; F189-P203 HydrophobicContact CE1-CB 3.79Å; F189-P203 HydrophobicContact CE1-CG 4.13Å; C201-P203 WeakPolarHBondContact O-CD 2.8Å; P203-K205 VanDerWaalsContact C-N 3.34Å; P203-K205 PolarHBondContact O-N 3.19Å; P203-R206 WeakPolarHBondContact O-CG 3.06Å; P203-R206 PolarHBondContact O-N 3.24Å; P203-R206 VanDerWaalsContact O-N 3.13Å; P203-W377 HydrophobicContact CB-CH2 4.26Å; P203-W377 HydrophobicContact CB-CZ2 4.35Å; P203-W377 HydrophobicContact CG-CH2 4.18Å; P203-W377 HydrophobicContact CG-CZ2 3.77Å |
| 204 | R | 95.9 | Very high | 96.3 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -33.8 | -170.9 | -64.4 | 170 | -62.9 | -168.5 | -1.3 | 110.9 | I168 D202 W377 R381 D382 | I168-R204 HydrophobicContact CD1-CG 4.37Å; D202-R204 VanDerWaalsContact C-N 3.3Å; D202-R204 PolarHBondContact O-N 3.29Å; D202-R204 PolarHBondContact OD1-N 3.35Å; R204-W377 WeakPolarHBondContact CD-O 3.39Å; R204-W377 HydrophobicContact CG-CH2 4.16Å; R204-W377 HydrophobicContact CG-CZ2 4.05Å; R204-W377 PolarHBondContact NH1-O 2.77Å; R204-R381 PolarHBondContact NH1-O 2.91Å; R204-R381 VanDerWaalsContact NH1-O 3.1Å; R204-D382 IonicContact CZ-OD1 3.53Å; R204-D382 IonicContact CZ-OD2 3.75Å; R204-D382 IonicContact NH1-OD1 3.95Å; R204-D382 PolarHBondContact NH1-OD1 2.88Å; R204-D382 IonicContact NH1-OD2 2.82Å; R204-D382 IonicContact NH2-OD1 3.45Å; R204-D382 PolarHBondContact NH2-OD1 3.34Å; R204-D382 IonicContact NH2-OD2 2.74Å; R204-D382 PolarHBondContact NH2-OD2 2.79Å |
| 205 | K | 95.5 | Very high | 96.2 | Very high | 139 Ų | 139 | 52.4 Ų | 52.4 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.4 | 171.6 | -61.8 | -171.5 | -169.4 | 110.1 | 0 | 113.7 | D202 P203 E207 | D202-K205 HydrophobicContact CB-CB 4.21Å; D202-K205 PolarHBondContact O-N 3.28Å; D202-K205 PolarHBondContact OD1-N 2.8Å; D202-K205 WeakPolarHBondContact OD2-CD 3.28Å; D202-K205 WeakPolarHBondContact OD2-CE 3.45Å; D202-K205 WeakPolarHBondContact OD2-CG 3.22Å; D202-K205 IonicContact OD2-NZ 3.85Å; D202-K205 PolarHBondContact OD2-NZ 2.98Å; P203-K205 VanDerWaalsContact C-N 3.34Å; P203-K205 PolarHBondContact O-N 3.19Å; K205-E207 VanDerWaalsContact C-N 3.28Å; K205-E207 HydrophobicContact CB-CB 4.17Å; K205-E207 PolarHBondContact O-N 3.45Å |
| 206 | R | 95.4 | Very high | 96.2 | Very high | 141 Ų | 141 | 50.8 Ų | 50.8 | 53% | 0.532 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 45.8 | -173.4 | -52 | -178.8 | -174.4 | -174.4 | -2.1 | 111.3 | I168 M170 D202 P203 | I168-R206 HydrophobicContact CG2-CG 4.01Å; M170-R206 HydrophobicContact CG-CB 4.46Å; D202-R206 PolarHBondContact O-N 3.08Å; P203-R206 WeakPolarHBondContact O-CG 3.06Å; P203-R206 PolarHBondContact O-N 3.24Å; P203-R206 VanDerWaalsContact O-N 3.13Å |
| 207 | E | 95.2 | Very high | 96.1 | Very high | 106 Ų | 106 | 51.8 Ų | 51.8 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142.2 | -173.2 | -175.2 | 179 | -173.6 | 0 | 0 | 110.7 | C201 D202 K205 V209 | C201-E207 WeakPolarHBondContact CA-O 3.27Å; D202-E207 PolarHBondContact N-O 2.83Å; D202-E207 PolarHBondContact O-N 2.95Å; K205-E207 VanDerWaalsContact C-N 3.28Å; K205-E207 HydrophobicContact CB-CB 4.17Å; K205-E207 PolarHBondContact O-N 3.45Å; E207-V209 PolarHBondContact O-N 2.86Å |
| 208 | V | 96.4 | Very high | 95.9 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 104.9 | 166.8 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | D172 R199 V200 A210 E211 | D172-V208 HydrophobicContact CB-CG2 4.33Å; R199-V208 HydrophobicContact CB-CG1 3.91Å; R199-V208 HydrophobicContact CG-CG1 3.94Å; V200-V208 CarbonylContact O-C 3.41Å; V200-V208 WeakPolarHBondContact O-CA 3.19Å; V208-A210 WeakPolarHBondContact CG1-O 3.46Å; V208-E211 HydrophobicContact CG1-CB 4.11Å |
| 209 | V | 96.1 | Very high | 95.5 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 42% | 0.424 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -25.1 | -176.1 | -62 | 0 | 0 | 0 | 0 | 113.2 | L188 V200 D202 E207 | L188-V209 HydrophobicContact CD2-CG2 4.15Å; V200-V209 HydrophobicContact CB-CG2 3.95Å; V200-V209 HydrophobicContact CG1-CG2 3.64Å; V200-V209 WeakPolarHBondContact O-CG2 3.39Å; V200-V209 PolarHBondContact O-N 2.89Å; D202-V209 HydrophobicContact CB-CG1 3.76Å; E207-V209 PolarHBondContact O-N 2.86Å |
| 210 | A | 95.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 143.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | R199 V200 V208 F253 | R199-A210 CarbonylContact C-O 3.57Å; R199-A210 WeakPolarHBondContact CA-O 3.46Å; V200-A210 HydrophobicContact CB-CB 4.17Å; V200-A210 HydrophobicContact CG2-CB 4.34Å; V200-A210 PolarHBondContact N-O 3.31Å; V200-A210 PolarHBondContact O-N 3.39Å; V208-A210 WeakPolarHBondContact CG1-O 3.46Å; A210-F253 HydrophobicContact CB-CD1 3.88Å; A210-F253 HydrophobicContact CB-CE1 4.16Å |
| 211 | E | 96 | Very high | 95.1 | Very high | 92 Ų | 92 | 60 Ų | 60 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.1 | 173.5 | 64.4 | 168.4 | -164.4 | 0 | 0 | 112.9 | R197 L198 R199 V208 F253 | R197-E211 IonicContact CZ-OE1 2.69Å; R197-E211 IonicContact CZ-OE2 3.77Å; R197-E211 IonicContact NH1-OE1 3.04Å; R197-E211 PolarHBondContact NH1-OE1 2.8Å; R197-E211 IonicContact NH1-OE2 3.99Å; R197-E211 PolarHBondContact NH1-OE2 2.88Å; L198-E211 CarbonylContact O-C 3.51Å; L198-E211 WeakPolarHBondContact O-CA 3.29Å; R199-E211 HydrophobicContact CG-CB 4.05Å; R199-E211 IonicContact NE-OE2 3.84Å; V208-E211 HydrophobicContact CG1-CB 4.11Å; E211-F253 VanDerWaalsContact C-CE1 3.49Å; E211-F253 WeakPolarHBondContact O-CD1 3.22Å |
| 212 | R | 96.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 25% | 0.253 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.7 | 173.1 | 173.6 | 53.9 | 175.4 | -163.8 | -4.2 | 109.9 | R197 L198 P215 W248 F253 E254 | R197-R212 CarbonylContact C-O 3.56Å; R197-R212 VanDerWaalsContact CA-O 3.26Å; R197-R212 WeakPolarHBondContact CA-O 3.41Å; L198-R212 PolarHBondContact N-O 2.85Å; L198-R212 PolarHBondContact O-N 3Å; R212-P215 HydrophobicContact CG-CB 4.1Å; R212-W248 HydrophobicContact CG-CZ3 4.24Å; R212-F253 HydrophobicContact CB-CD1 3.76Å; R212-F253 HydrophobicContact CB-CD2 3.52Å; R212-F253 HydrophobicContact CB-CE1 3.76Å; R212-F253 HydrophobicContact CB-CE2 3.52Å; R212-F253 HydrophobicContact CB-CG 3.68Å; R212-F253 HydrophobicContact CB-CZ 3.67Å; R212-F253 VanDerWaalsContact CD-O 3.31Å; R212-F253 WeakPolarHBondContact CD-O 3.47Å; R212-F253 HydrophobicContact CG-CD2 4.16Å; R212-F253 HydrophobicContact CG-CE2 4.26Å; R212-E254 PolarHBondContact NH1-O 3.48Å; R212-E254 PolarHBondContact NH2-O 3.07Å |
| 213 | L | 95.5 | Very high | 94.9 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 49% | 0.492 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 132.4 | 168 | 179.8 | 65.3 | 0 | 0 | 0 | 110.6 | R197 | R197-L213 HydrophobicContact CG-CB 4.36Å; R197-L213 HydrophobicContact CG-CD1 3.75Å |
| 214 | A | 94.3 | Very high | 95 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | trans | 50.6 | 60.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R196 H216 | R196-A214 WeakPolarHBondContact O-CA 3.44Å; R196-A214 PolarHBondContact O-N 2.93Å; A214-H216 PolarHBondContact O-N 3.08Å | ||
| 215 | P | 94.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.045 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -58.4 | -30.5 | 168.7 | 28.2 | -35.5 | 0 | 0 | 0 | 111 | R196 L198 R212 M222 W248 | R196-P215 WeakPolarHBondContact O-CD 3.38Å; L198-P215 HydrophobicContact CB-CG 4.01Å; R212-P215 HydrophobicContact CG-CB 4.1Å; P215-M222 HydrophobicContact CG-CE 3.84Å; P215-M222 HydrophobicContact CG-SD 3.53Å; P215-M222 VanDerWaalsContact CG-SD 3.53Å; P215-W248 HydrophobicContact CB-CH2 4.15Å; P215-W248 HydrophobicContact CB-CZ2 3.59Å; P215-W248 WeakPolarHBondContact O-CZ2 3.44Å |
| 216 | H | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -122.8 | 136.6 | 173.8 | -65.2 | -65.7 | 0 | 0 | 0 | 107.7 | A214 G218 T234 E244 | A214-H216 PolarHBondContact O-N 3.08Å; H216-G218 VanDerWaalsContact C-N 3.31Å; H216-G218 PolarHBondContact O-N 2.69Å; H216-T234 PolarHBondContact CE1-OG1 3.44Å; H216-T234 VanDerWaalsContact NE2-CB 3.3Å; H216-T234 WeakPolarHBondContact NE2-CB 3.4Å; H216-T234 PolarHBondContact NE2-OG1 2.98Å; H216-E244 WeakPolarHBondContact CA-OE1 3.29Å; H216-E244 WeakPolarHBondContact CB-OE1 3.34Å; H216-E244 IonicContact CG-OE1 3.71Å; H216-E244 WeakPolarHBondContact ND1-CG 3.46Å; H216-E244 IonicContact ND1-OE1 2.75Å; H216-E244 PolarHBondContact ND1-OE1 2.87Å; H216-E244 IonicContact ND1-OE2 3.11Å |
| 217 | E | 93.2 | Very high | 95.1 | Very high | 127 Ų | 127 | 47.8 Ų | 47.8 | 59% | 0.593 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -74.2 | -24.7 | -174.7 | -71.3 | -162 | 162 | 0 | 0 | 113.1 | R239 E244 | E217-R239 HydrophobicContact CB-CB 4.06Å; E217-R239 WeakPolarHBondContact OE2-CB 3.45Å; E217-E244 PolarHBondContact N-OE1 3.15Å |
| 218 | G | 91.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -72.3 | 158.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H216 F237 T238 | H216-G218 VanDerWaalsContact C-N 3.31Å; H216-G218 PolarHBondContact O-N 2.69Å; G218-F237 WeakPolarHBondContact CA-O 3.18Å; G218-F237 PolarHBondContact N-O 3.43Å; G218-T238 WeakPolarHBondContact CA-O 3.2Å |
| 219 | I | 90.1 | Very high | 93.9 | Very high | 139 Ų | 139 | 49.9 Ų | 49.9 | 71% | 0.713 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -93.7 | -1.3 | -177.3 | 63.2 | 168.5 | 0 | 0 | 0 | 113.5 | ||
| 220 | R | 92.9 | Very high | 93.6 | Very high | 91 Ų | 91 | 48 Ų | 48 | 34% | 0.343 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -77.7 | 159.7 | -177.8 | -73.8 | 178.3 | -174.6 | -100.3 | 6 | 110.5 | M222 F237 N266 | R220-M222 PolarHBondContact O-N 3.13Å; R220-F237 HydrophobicContact CB-CB 4.14Å; R220-F237 HydrophobicContact CB-CD1 4.42Å; R220-F237 HydrophobicContact CB-CD2 3.28Å; R220-F237 HydrophobicContact CB-CE2 3.64Å; R220-F237 HydrophobicContact CB-CG 3.71Å; R220-F237 HydrophobicContact CB-CZ 4.34Å; R220-F237 HydrophobicContact CG-CD2 4.24Å; R220-F237 HydrophobicContact CG-CG 4.28Å; R220-N266 PolarHBondContact NH2-OD1 2.99Å |
| 221 | P | 93.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | trans | -56.9 | 137.6 | -179.8 | -23.7 | 33.4 | 0 | 0 | 0 | 112.1 | Y178 V268 | Y178-P221 HydrophobicContact CD1-CB 3.9Å; Y178-P221 HydrophobicContact CD1-CG 4.32Å; Y178-P221 HydrophobicContact CD2-CB 4.1Å; Y178-P221 HydrophobicContact CE1-CB 3.9Å; Y178-P221 HydrophobicContact CE1-CG 3.86Å; Y178-P221 HydrophobicContact CE2-CB 4.08Å; Y178-P221 HydrophobicContact CE2-CG 4.47Å; Y178-P221 HydrophobicContact CG-CB 4Å; P221-V268 HydrophobicContact CB-CG2 3.95Å; P221-V268 HydrophobicContact CG-CG2 4.16Å | ||
| 222 | M | 94.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | trans | -114.2 | 150.8 | 176 | 69.4 | 176.8 | 76 | 0 | 0 | 110 | T192 P215 R220 T235 | T192-M222 VanDerWaalsContact CB-CG 3.43Å; T192-M222 WeakPolarHBondContact CB-O 3.49Å; T192-M222 HydrophobicContact CG2-CG 3.53Å; T192-M222 HydrophobicContact CG2-SD 3.8Å; T192-M222 PolarHBondContact OG1-O 2.68Å; P215-M222 HydrophobicContact CG-CE 3.84Å; P215-M222 HydrophobicContact CG-SD 3.53Å; P215-M222 VanDerWaalsContact CG-SD 3.53Å; R220-M222 PolarHBondContact O-N 3.13Å; M222-T235 CarbonylContact C-O 3.6Å; M222-T235 WeakPolarHBondContact CA-O 3.49Å; M222-T235 VanDerWaalsContact CB-O 3.25Å; M222-T235 WeakPolarHBondContact CB-O 3.44Å | ||
| 223 | R | 97.6 | Very high | 93.7 | Very high | 30 Ų | 30 | 41 Ų | 41 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 148 | 171.1 | -58 | -66.4 | -176.6 | 177.8 | -14.7 | 109.8 | D36 Y178 T234 T235 V268 L269 L270 P271 | D36-R223 VanDerWaalsContact C-NH2 3.32Å; D36-R223 PolarHBondContact O-NH2 2.86Å; Y178-R223 PolarHBondContact O-NH1 2.92Å; R223-T234 CarbonylContact O-C 3.59Å; R223-T234 WeakPolarHBondContact O-CA 3.41Å; R223-T235 WeakPolarHBondContact CB-OG1 3.4Å; R223-T235 PolarHBondContact N-O 2.83Å; R223-T235 PolarHBondContact O-N 2.91Å; R223-V268 HydrophobicContact CG-CG1 3.91Å; R223-L269 WeakPolarHBondContact CG-O 3.48Å; R223-L270 HydrophobicContact CG-CD2 4.09Å; R223-P271 HydrophobicContact CB-CG 4.18Å |
| 224 | A | 97.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S179 T192 L198 I232 F233 T234 | S179-A224 PolarHBondContact OG-N 3.19Å; S179-A224 VanDerWaalsContact OG-N 3.13Å; T192-A224 HydrophobicContact CG2-CB 3.45Å; T192-A224 VanDerWaalsContact CG2-CB 3.45Å; L198-A224 HydrophobicContact CD1-CB 3.51Å; A224-I232 HydrophobicContact CB-CG2 3.93Å; A224-F233 CarbonylContact C-O 3.47Å; A224-F233 WeakPolarHBondContact CA-O 3.48Å; A224-T234 HydrophobicContact CB-CG2 3.93Å |
| 225 | I | 97.9 | Very high | 94 | Very high | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148 | 171.6 | 57.8 | 170.2 | 0 | 0 | 0 | 109.6 | S181 I232 F233 P271 Y273 | S181-I225 WeakPolarHBondContact OG-CA 3.48Å; I225-I232 WeakPolarHBondContact O-CA 3.42Å; I225-F233 HydrophobicContact CG1-CB 4.06Å; I225-F233 HydrophobicContact CG1-CD1 4.4Å; I225-F233 PolarHBondContact N-O 3.17Å; I225-F233 PolarHBondContact O-N 2.76Å; I225-P271 HydrophobicContact CD1-CB 3.69Å; I225-P271 HydrophobicContact CD1-CG 3.91Å; I225-P271 HydrophobicContact CG1-CB 4.18Å; I225-P271 HydrophobicContact CG1-CG 3.95Å; I225-P271 HydrophobicContact CG2-CG 3.94Å; I225-Y273 VanDerWaalsContact CD1-CB 3.42Å; I225-Y273 HydrophobicContact CD1-CG 4.42Å |
| 226 | F | 97.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.066 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 144.7 | 165.9 | -82.9 | -76 | 0 | 0 | 0 | 111.1 | S181 N183 L188 C190 V200 G230 I232 | S181-F226 WeakPolarHBondContact O-CD2 3.45Å; S181-F226 PolarHBondContact OG-N 2.81Å; N183-F226 VanDerWaalsContact CA-CD2 3.49Å; N183-F226 HydrophobicContact CB-CB 4.18Å; N183-F226 HydrophobicContact CB-CD1 3.94Å; N183-F226 HydrophobicContact CB-CD2 3.58Å; N183-F226 HydrophobicContact CB-CE1 4.16Å; N183-F226 HydrophobicContact CB-CE2 3.77Å; N183-F226 HydrophobicContact CB-CG 3.64Å; N183-F226 HydrophobicContact CB-CZ 4.07Å; N183-F226 VanDerWaalsContact N-CD2 3.33Å; L188-F226 HydrophobicContact CB-CZ 4.35Å; C190-F226 HydrophobicContact CB-CD2 4.14Å; C190-F226 HydrophobicContact CB-CE2 3.6Å; C190-F226 HydrophobicContact CB-CZ 4.02Å; C190-F226 VanDerWaalsContact N-CE2 3.33Å; V200-F226 HydrophobicContact CG1-CZ 3.96Å; V200-F226 HydrophobicContact CG2-CZ 4.46Å; F226-G230 WeakPolarHBondContact CD1-O 3.42Å; F226-G230 WeakPolarHBondContact CE1-O 3.42Å; F226-I232 HydrophobicContact CD1-CG1 3.86Å; F226-I232 HydrophobicContact CE1-CD1 4.05Å; F226-I232 HydrophobicContact CE1-CG1 3.68Å; F226-I232 HydrophobicContact CZ-CD1 4.28Å; F226-I232 HydrophobicContact CZ-CG1 4.3Å |
| 227 | I | 95.2 | Very high | 94.2 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | trans | -105.2 | 170.6 | 166.3 | 66.4 | 163.3 | 0 | 0 | 0 | 110.3 | D229 G230 N231 F233 L247 Y273 I295 | I227-D229 PolarHBondContact O-N 3.14Å; I227-D229 VanDerWaalsContact O-N 3.09Å; I227-G230 PolarHBondContact O-N 3.26Å; I227-N231 HydrophobicContact CD1-CB 3.71Å; I227-N231 HydrophobicContact CG1-CB 3.57Å; I227-N231 VanDerWaalsContact CG1-O 3.29Å; I227-N231 WeakPolarHBondContact CG1-O 3.49Å; I227-N231 PolarHBondContact N-O 3.38Å; I227-F233 HydrophobicContact CG2-CB 3.77Å; I227-L247 HydrophobicContact CD1-CD1 3.76Å; I227-Y273 HydrophobicContact CB-CD1 4.4Å; I227-Y273 HydrophobicContact CB-CE1 3.86Å; I227-Y273 HydrophobicContact CB-CE2 4.12Å; I227-Y273 HydrophobicContact CG2-CD1 4.3Å; I227-Y273 HydrophobicContact CG2-CD2 4.08Å; I227-Y273 HydrophobicContact CG2-CE1 4.2Å; I227-Y273 HydrophobicContact CG2-CE2 3.98Å; I227-Y273 HydrophobicContact CG2-CG 4.23Å; I227-I295 HydrophobicContact CD1-CD1 4.35Å; I227-I295 HydrophobicContact CD1-CG2 3.91Å; I227-I295 HydrophobicContact CG2-CD1 3.99Å | ||
| 228 | R | 85.6 | Confident | 94.3 | Very high | 102 Ų | 102 | 29.4 Ų | 29.4 | 39% | 0.385 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.9 | -170.1 | 178.5 | 175.9 | 136.6 | 168.2 | -1.3 | 114.1 | G230 Y273 A275 | R228-G230 VanDerWaalsContact C-N 3.27Å; R228-G230 PolarHBondContact O-N 3.25Å; R228-Y273 HydrophobicContact CB-CE1 4.21Å; R228-Y273 WeakPolarHBondContact CB-OH 3.16Å; R228-Y273 PolarHBondContact N-OH 2.79Å; R228-Y273 VanDerWaalsContact N-OH 3.09Å; R228-A275 HydrophobicContact CB-CB 4.35Å; R228-A275 VanDerWaalsContact CD-O 3.23Å; R228-A275 WeakPolarHBondContact CD-O 3.46Å |
| 229 | D | 80.7 | Confident | 94.4 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 47% | 0.471 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 7.2 | -174.7 | -50.4 | -38.3 | 0 | 0 | 0 | 113 | I227 N231 | I227-D229 PolarHBondContact O-N 3.14Å; I227-D229 VanDerWaalsContact O-N 3.09Å; D229-N231 VanDerWaalsContact C-N 3.25Å; D229-N231 PolarHBondContact O-N 2.77Å |
| 230 | G | 89.1 | Confident | 94.6 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 85.7 | -9.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F226 I227 R228 P250 | F226-G230 WeakPolarHBondContact CD1-O 3.42Å; F226-G230 WeakPolarHBondContact CE1-O 3.42Å; I227-G230 PolarHBondContact O-N 3.26Å; R228-G230 VanDerWaalsContact C-N 3.27Å; R228-G230 PolarHBondContact O-N 3.25Å; G230-P250 WeakPolarHBondContact O-CG 3.49Å |
| 231 | N | 95.3 | Very high | 94.6 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | trans | -64 | 163.4 | 169.6 | -71.1 | -20.7 | 0 | 0 | 0 | 111.6 | I227 D229 L247 W248 | I227-N231 HydrophobicContact CD1-CB 3.71Å; I227-N231 HydrophobicContact CG1-CB 3.57Å; I227-N231 VanDerWaalsContact CG1-O 3.29Å; I227-N231 WeakPolarHBondContact CG1-O 3.49Å; I227-N231 PolarHBondContact N-O 3.38Å; D229-N231 VanDerWaalsContact C-N 3.25Å; D229-N231 PolarHBondContact O-N 2.77Å; N231-L247 HydrophobicContact CB-CD1 4.21Å; N231-W248 CarbonylContact C-O 3.51Å; N231-W248 WeakPolarHBondContact CA-O 3.28Å; N231-W248 WeakPolarHBondContact CB-O 3.35Å | ||
| 232 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.1 | -177.7 | -57.4 | 171.2 | 0 | 0 | 0 | 109.3 | C190 L198 V200 A224 I225 F226 T234 W248 P250 F253 | C190-I232 HydrophobicContact CB-CD1 4.12Å; L198-I232 HydrophobicContact CD1-CG2 4.37Å; L198-I232 HydrophobicContact CD2-CD1 4.39Å; L198-I232 HydrophobicContact CD2-CG2 3.94Å; V200-I232 HydrophobicContact CG2-CD1 3.41Å; V200-I232 VanDerWaalsContact CG2-CD1 3.41Å; A224-I232 HydrophobicContact CB-CG2 3.93Å; I225-I232 WeakPolarHBondContact O-CA 3.42Å; F226-I232 HydrophobicContact CD1-CG1 3.86Å; F226-I232 HydrophobicContact CE1-CD1 4.05Å; F226-I232 HydrophobicContact CE1-CG1 3.68Å; F226-I232 HydrophobicContact CZ-CD1 4.28Å; F226-I232 HydrophobicContact CZ-CG1 4.3Å; I232-T234 HydrophobicContact CG2-CG2 3.94Å; I232-W248 HydrophobicContact CB-CB 4.39Å; I232-W248 PolarHBondContact N-O 3.49Å; I232-W248 PolarHBondContact O-N 3.26Å; I232-P250 HydrophobicContact CD1-CB 4.25Å; I232-F253 HydrophobicContact CD1-CZ 4.35Å |
| 233 | F | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.8 | 171.5 | -175.4 | -88.7 | 0 | 0 | 0 | 109.7 | A224 I225 I227 T235 L245 P271 V280 L282 I295 V302 | A224-F233 CarbonylContact C-O 3.47Å; A224-F233 WeakPolarHBondContact CA-O 3.48Å; I225-F233 HydrophobicContact CG1-CB 4.06Å; I225-F233 HydrophobicContact CG1-CD1 4.4Å; I225-F233 PolarHBondContact N-O 3.17Å; I225-F233 PolarHBondContact O-N 2.76Å; I227-F233 HydrophobicContact CG2-CB 3.77Å; F233-T235 HydrophobicContact CE1-CG2 3.79Å; F233-L245 HydrophobicContact CE1-CD2 4.37Å; F233-L245 HydrophobicContact CE2-CB 4.39Å; F233-L245 HydrophobicContact CZ-CB 4.1Å; F233-L245 HydrophobicContact CZ-CD1 4.15Å; F233-L245 HydrophobicContact CZ-CD2 3.97Å; F233-L245 HydrophobicContact CZ-CG 4.29Å; F233-P271 HydrophobicContact CD1-CB 3.92Å; F233-P271 HydrophobicContact CE1-CB 3.97Å; F233-V280 HydrophobicContact CD1-CG2 4.16Å; F233-V280 HydrophobicContact CE1-CG1 4.48Å; F233-V280 HydrophobicContact CE1-CG2 3.96Å; F233-V280 HydrophobicContact CE2-CG1 4.12Å; F233-V280 HydrophobicContact CZ-CG1 4.01Å; F233-V280 HydrophobicContact CZ-CG2 4.32Å; F233-L282 HydrophobicContact CE1-CD2 3.74Å; F233-L282 HydrophobicContact CZ-CD1 4.45Å; F233-L282 HydrophobicContact CZ-CD2 4.13Å; F233-I295 HydrophobicContact CD2-CD1 3.98Å; F233-V302 HydrophobicContact CE2-CG1 4.29Å; F233-V302 HydrophobicContact CE2-CG2 4.37Å |
| 234 | T | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.7 | -175.7 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | L198 H216 R223 A224 I232 L245 G246 W248 | L198-T234 HydrophobicContact CD2-CG2 3.79Å; H216-T234 PolarHBondContact CE1-OG1 3.44Å; H216-T234 VanDerWaalsContact NE2-CB 3.3Å; H216-T234 WeakPolarHBondContact NE2-CB 3.4Å; H216-T234 PolarHBondContact NE2-OG1 2.98Å; R223-T234 CarbonylContact O-C 3.59Å; R223-T234 WeakPolarHBondContact O-CA 3.41Å; A224-T234 HydrophobicContact CB-CG2 3.93Å; I232-T234 HydrophobicContact CG2-CG2 3.94Å; T234-L245 WeakPolarHBondContact O-CA 3.38Å; T234-G246 PolarHBondContact N-O 2.9Å; T234-G246 PolarHBondContact O-N 3.08Å; T234-G246 WeakPolarHBondContact OG1-CA 3.12Å; T234-G246 PolarHBondContact OG1-N 3.05Å; T234-G246 PolarHBondContact OG1-O 3Å; T234-W248 PolarHBondContact OG1-NE1 3.45Å |
| 235 | T | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.1 | 167.6 | 66.9 | 0 | 0 | 0 | 0 | 108.5 | M222 R223 F233 E244 L245 L269 P271 L282 | M222-T235 CarbonylContact C-O 3.6Å; M222-T235 WeakPolarHBondContact CA-O 3.49Å; M222-T235 VanDerWaalsContact CB-O 3.25Å; M222-T235 WeakPolarHBondContact CB-O 3.44Å; R223-T235 WeakPolarHBondContact CB-OG1 3.4Å; R223-T235 PolarHBondContact N-O 2.83Å; R223-T235 PolarHBondContact O-N 2.91Å; F233-T235 HydrophobicContact CE1-CG2 3.79Å; T235-E244 WeakPolarHBondContact CA-O 3.32Å; T235-L245 HydrophobicContact CG2-CD2 3.87Å; T235-L269 HydrophobicContact CG2-CB 3.97Å; T235-L269 PolarHBondContact OG1-O 3.26Å; T235-P271 HydrophobicContact CG2-CB 4.14Å; T235-P271 HydrophobicContact CG2-CG 4.2Å; T235-L282 HydrophobicContact CG2-CD2 4.03Å |
| 236 | G | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | -156.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R243 E244 | G236-R243 WeakPolarHBondContact O-CA 3.45Å; G236-E244 PolarHBondContact N-O 3.42Å; G236-E244 PolarHBondContact O-N 3.32Å |
| 237 | F | 96.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.022 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 138.4 | -177.7 | -65.5 | -99.6 | 0 | 0 | 0 | 110.4 | G218 R220 Q242 R243 S265 V268 | G218-F237 WeakPolarHBondContact CA-O 3.18Å; G218-F237 PolarHBondContact N-O 3.43Å; R220-F237 HydrophobicContact CB-CB 4.14Å; R220-F237 HydrophobicContact CB-CD1 4.42Å; R220-F237 HydrophobicContact CB-CD2 3.28Å; R220-F237 HydrophobicContact CB-CE2 3.64Å; R220-F237 HydrophobicContact CB-CG 3.71Å; R220-F237 HydrophobicContact CB-CZ 4.34Å; R220-F237 HydrophobicContact CG-CD2 4.24Å; R220-F237 HydrophobicContact CG-CG 4.28Å; F237-Q242 CarbonylContact C-O 3.54Å; F237-Q242 WeakPolarHBondContact CA-O 3.49Å; F237-R243 HydrophobicContact CD1-CG 4.05Å; F237-R243 HydrophobicContact CE1-CG 3.68Å; F237-R243 HydrophobicContact CZ-CG 4.3Å; F237-S265 WeakPolarHBondContact CE1-O 3.33Å; F237-V268 HydrophobicContact CE2-CG2 4.35Å |
| 238 | T | 95.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | trans | -66.8 | 169.2 | 171.1 | 73.1 | 0 | 0 | 0 | 0 | 110.4 | G218 M240 S241 Q242 E244 E261 | G218-T238 WeakPolarHBondContact CA-O 3.2Å; T238-M240 PolarHBondContact O-N 3.49Å; T238-M240 VanDerWaalsContact O-N 3.16Å; T238-M240 PolarHBondContact OG1-N 3.33Å; T238-S241 WeakPolarHBondContact O-CA 3.3Å; T238-S241 PolarHBondContact O-N 2.74Å; T238-Q242 HydrophobicContact CG2-CB 4.02Å; T238-Q242 PolarHBondContact N-O 3.39Å; T238-Q242 WeakPolarHBondContact OG1-CB 3.4Å; T238-Q242 PolarHBondContact OG1-N 2.89Å; T238-Q242 VanDerWaalsContact OG1-N 3.13Å; T238-E244 HydrophobicContact CG2-CB 4.05Å; T238-E244 HydrophobicContact CG2-CG 4.08Å; T238-E244 WeakPolarHBondContact CG2-OE2 3.18Å; T238-E244 PolarHBondContact N-OE1 2.78Å; T238-E261 HydrophobicContact CG2-CG 4.26Å | ||
| 239 | R | 93.9 | Very high | 95 | Very high | 206 Ų | 206 | 32.3 Ų | 32.3 | 78% | 0.777 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -31.1 | 171.2 | -175.4 | 174.6 | 178.5 | 167 | 0.1 | 113.2 | E217 S241 | E217-R239 HydrophobicContact CB-CB 4.06Å; E217-R239 WeakPolarHBondContact OE2-CB 3.45Å; R239-S241 PolarHBondContact O-N 2.76Å |
| 240 | M | 93.4 | Very high | 95.6 | Very high | 145 Ų | 145 | 29.6 Ų | 29.6 | 71% | 0.714 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 9.5 | 176.4 | -64 | -171 | -71.6 | 0 | 0 | 113.2 | T238 Q242 | T238-M240 PolarHBondContact O-N 3.49Å; T238-M240 VanDerWaalsContact O-N 3.16Å; T238-M240 PolarHBondContact OG1-N 3.33Å; M240-Q242 VanDerWaalsContact C-N 3.28Å; M240-Q242 PolarHBondContact O-N 2.87Å |
| 241 | S | 93.4 | Very high | 95.7 | Very high | 43 Ų | 43 | 34.1 Ų | 34.1 | 30% | 0.301 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 60.8 | 29.9 | -175.9 | -62 | 0 | 0 | 0 | 0 | 114.4 | T238 R239 | T238-S241 WeakPolarHBondContact O-CA 3.3Å; T238-S241 PolarHBondContact O-N 2.74Å; R239-S241 PolarHBondContact O-N 2.76Å |
| 242 | Q | 95.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | trans | -84.2 | 141.8 | 165 | -70.4 | 160.3 | -49.6 | 0 | 0 | 109.4 | F237 T238 M240 D263 T264 | F237-Q242 CarbonylContact C-O 3.54Å; F237-Q242 WeakPolarHBondContact CA-O 3.49Å; T238-Q242 HydrophobicContact CG2-CB 4.02Å; T238-Q242 PolarHBondContact N-O 3.39Å; T238-Q242 WeakPolarHBondContact OG1-CB 3.4Å; T238-Q242 PolarHBondContact OG1-N 2.89Å; T238-Q242 VanDerWaalsContact OG1-N 3.13Å; M240-Q242 VanDerWaalsContact C-N 3.28Å; M240-Q242 PolarHBondContact O-N 2.87Å; Q242-D263 CarbonylContact C-O 3.59Å; Q242-D263 VanDerWaalsContact CA-O 3.29Å; Q242-D263 WeakPolarHBondContact CA-O 3.31Å; Q242-T264 HydrophobicContact CG-CG2 3.56Å | ||
| 243 | R | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 134 | 173.2 | -57.8 | -165.6 | -65.3 | -174.4 | -4.7 | 109.8 | G236 F237 L262 D263 S265 G267 L269 D287 | G236-R243 WeakPolarHBondContact O-CA 3.45Å; F237-R243 HydrophobicContact CD1-CG 4.05Å; F237-R243 HydrophobicContact CE1-CG 3.68Å; F237-R243 HydrophobicContact CZ-CG 4.3Å; R243-L262 HydrophobicContact CB-CB 4.3Å; R243-L262 WeakPolarHBondContact O-CB 3.22Å; R243-L262 PolarHBondContact O-N 3.13Å; R243-D263 IonicContact CZ-OD1 4Å; R243-D263 VanDerWaalsContact CZ-OD1 3.28Å; R243-D263 IonicContact CZ-OD2 3.42Å; R243-D263 PolarHBondContact N-O 3.02Å; R243-D263 IonicContact NE-OD1 3.28Å; R243-D263 PolarHBondContact NE-OD1 3.24Å; R243-D263 IonicContact NE-OD2 2.74Å; R243-D263 IonicContact NH2-OD1 3.97Å; R243-D263 PolarHBondContact NH2-OD1 2.95Å; R243-D263 VanDerWaalsContact NH2-OD1 3.13Å; R243-D263 IonicContact NH2-OD2 3.4Å; R243-D263 PolarHBondContact NH2-OD2 3.26Å; R243-S265 VanDerWaalsContact CG-O 3.29Å; R243-S265 WeakPolarHBondContact CG-O 3.37Å; R243-S265 PolarHBondContact NH2-OG 3.25Å; R243-G267 VanDerWaalsContact CD-O 3.32Å; R243-G267 WeakPolarHBondContact CD-O 3.29Å; R243-G267 PolarHBondContact NH1-O 3.16Å; R243-L269 HydrophobicContact CB-CD1 4.1Å; R243-D287 IonicContact CZ-OD1 2.79Å; R243-D287 IonicContact CZ-OD2 3.42Å; R243-D287 IonicContact NH1-OD1 3.25Å; R243-D287 PolarHBondContact NH1-OD1 3.42Å; R243-D287 IonicContact NH1-OD2 2.65Å; R243-D287 PolarHBondContact NH1-OD2 3.32Å; R243-D287 IonicContact NH2-OD1 2.84Å; R243-D287 IonicContact NH2-OD2 3.34Å |
| 244 | E | 95.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.1 | -179.3 | 52.3 | 175.2 | 175.8 | 0 | 0 | 111.1 | H216 E217 T235 G236 T238 L260 | H216-E244 WeakPolarHBondContact CA-OE1 3.29Å; H216-E244 WeakPolarHBondContact CB-OE1 3.34Å; H216-E244 IonicContact CG-OE1 3.71Å; H216-E244 WeakPolarHBondContact ND1-CG 3.46Å; H216-E244 IonicContact ND1-OE1 2.75Å; H216-E244 PolarHBondContact ND1-OE1 2.87Å; H216-E244 IonicContact ND1-OE2 3.11Å; E217-E244 PolarHBondContact N-OE1 3.15Å; T235-E244 WeakPolarHBondContact CA-O 3.32Å; G236-E244 PolarHBondContact N-O 3.42Å; G236-E244 PolarHBondContact O-N 3.32Å; T238-E244 HydrophobicContact CG2-CB 4.05Å; T238-E244 HydrophobicContact CG2-CG 4.08Å; T238-E244 WeakPolarHBondContact CG2-OE2 3.18Å; T238-E244 PolarHBondContact N-OE1 2.78Å; E244-L260 CarbonylContact C-O 3.57Å; E244-L260 WeakPolarHBondContact CA-O 3.41Å |
| 245 | L | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.6 | 177.6 | -51.2 | 179.1 | 0 | 0 | 0 | 108.5 | F233 T234 T235 L259 L260 L262 L269 L282 F293 | F233-L245 HydrophobicContact CE1-CD2 4.37Å; F233-L245 HydrophobicContact CE2-CB 4.39Å; F233-L245 HydrophobicContact CZ-CB 4.1Å; F233-L245 HydrophobicContact CZ-CD1 4.15Å; F233-L245 HydrophobicContact CZ-CD2 3.97Å; F233-L245 HydrophobicContact CZ-CG 4.29Å; T234-L245 WeakPolarHBondContact O-CA 3.38Å; T235-L245 HydrophobicContact CG2-CD2 3.87Å; L245-L259 CarbonylContact O-C 3.59Å; L245-L259 WeakPolarHBondContact O-CA 3.19Å; L245-L260 HydrophobicContact CB-CB 4.44Å; L245-L260 PolarHBondContact N-O 2.84Å; L245-L260 PolarHBondContact O-N 2.62Å; L245-L262 HydrophobicContact CD1-CD1 3.86Å; L245-L262 HydrophobicContact CD1-CD2 3.89Å; L245-L262 HydrophobicContact CD1-CG 4.01Å; L245-L262 HydrophobicContact CD2-CD1 3.65Å; L245-L262 HydrophobicContact CD2-CG 4.38Å; L245-L262 HydrophobicContact CG-CD1 3.69Å; L245-L262 HydrophobicContact CG-CD2 4.33Å; L245-L262 HydrophobicContact CG-CG 3.89Å; L245-L269 HydrophobicContact CD2-CD1 4.42Å; L245-L282 HydrophobicContact CD1-CD1 3.66Å; L245-L282 HydrophobicContact CD2-CD1 3.34Å; L245-L282 HydrophobicContact CG-CD1 4.11Å; L245-F293 HydrophobicContact CD1-CD2 4.5Å; L245-F293 HydrophobicContact CD1-CE1 4.07Å; L245-F293 HydrophobicContact CD1-CE2 4.1Å; L245-F293 HydrophobicContact CD1-CZ 3.88Å |
| 246 | G | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T234 A258 | T234-G246 PolarHBondContact N-O 2.9Å; T234-G246 PolarHBondContact O-N 3.08Å; T234-G246 WeakPolarHBondContact OG1-CA 3.12Å; T234-G246 PolarHBondContact OG1-N 3.05Å; T234-G246 PolarHBondContact OG1-O 3Å; G246-A258 CarbonylContact C-O 3.6Å; G246-A258 WeakPolarHBondContact CA-O 3.41Å |
| 247 | L | 97.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127 | 169.5 | -177.4 | 66.1 | 0 | 0 | 0 | 108.7 | I227 N231 P256 I257 A258 I295 V302 | I227-L247 HydrophobicContact CD1-CD1 3.76Å; N231-L247 HydrophobicContact CB-CD1 4.21Å; L247-P256 CarbonylContact O-C 3.59Å; L247-I257 HydrophobicContact CB-CB 4.36Å; L247-I257 HydrophobicContact CD2-CB 4.17Å; L247-I257 HydrophobicContact CD2-CD1 4.36Å; L247-I257 HydrophobicContact CD2-CG2 4.04Å; L247-I257 HydrophobicContact CG-CB 4.14Å; L247-I257 HydrophobicContact CG-CD1 4.18Å; L247-I257 WeakPolarHBondContact O-CB 3.48Å; L247-I257 PolarHBondContact O-N 3.06Å; L247-A258 HydrophobicContact CB-CB 4.17Å; L247-A258 PolarHBondContact N-O 3.4Å; L247-A258 PolarHBondContact O-N 3.27Å; L247-I295 HydrophobicContact CD2-CG2 4.32Å; L247-V302 HydrophobicContact CB-CG2 4.17Å; L247-V302 HydrophobicContact CD2-CG2 4.19Å |
| 248 | W | 96.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.6 | -170.7 | -56.4 | 87.1 | 0 | 0 | 0 | 111.3 | R212 P215 N231 I232 T234 F253 P256 | R212-W248 HydrophobicContact CG-CZ3 4.24Å; P215-W248 HydrophobicContact CB-CH2 4.15Å; P215-W248 HydrophobicContact CB-CZ2 3.59Å; P215-W248 WeakPolarHBondContact O-CZ2 3.44Å; N231-W248 CarbonylContact C-O 3.51Å; N231-W248 WeakPolarHBondContact CA-O 3.28Å; N231-W248 WeakPolarHBondContact CB-O 3.35Å; I232-W248 HydrophobicContact CB-CB 4.39Å; I232-W248 PolarHBondContact N-O 3.49Å; I232-W248 PolarHBondContact O-N 3.26Å; T234-W248 PolarHBondContact OG1-NE1 3.45Å; W248-F253 HydrophobicContact CB-CD2 4.35Å; W248-F253 HydrophobicContact CB-CE2 3.95Å; W248-F253 HydrophobicContact CD2-CE2 4.39Å; W248-F253 HydrophobicContact CE3-CD2 4.14Å; W248-F253 HydrophobicContact CE3-CE2 4.34Å; W248-F253 HydrophobicContact CG-CE2 4.24Å; W248-P256 HydrophobicContact CD2-CB 4.12Å; W248-P256 HydrophobicContact CE3-CB 3.94Å; W248-P256 HydrophobicContact CH2-CB 3.67Å; W248-P256 HydrophobicContact CH2-CG 3.89Å; W248-P256 HydrophobicContact CZ2-CB 3.84Å; W248-P256 HydrophobicContact CZ2-CG 4.38Å; W248-P256 HydrophobicContact CZ3-CB 3.74Å; W248-P256 HydrophobicContact CZ3-CG 4.12Å |
| 249 | D | 94.9 | Very high | 94.2 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | trans | -93.3 | 119.3 | 166.6 | -173.7 | -20.3 | 0 | 0 | 0 | 108.2 | T251 N252 F253 I257 | D249-T251 PolarHBondContact O-N 3.41Å; D249-T251 WeakPolarHBondContact OD1-CB 3.36Å; D249-T251 PolarHBondContact OD1-N 3.28Å; D249-T251 PolarHBondContact OD1-OG1 3.34Å; D249-T251 PolarHBondContact OD2-OG1 2.85Å; D249-T251 VanDerWaalsContact OD2-OG1 3.08Å; D249-N252 CarbonylContact O-C 3.57Å; D249-N252 PolarHBondContact O-N 3.46Å; D249-N252 VanDerWaalsContact O-O 3.09Å; D249-F253 PolarHBondContact O-N 2.78Å; D249-I257 HydrophobicContact CB-CD1 3.98Å; D249-I257 HydrophobicContact CB-CG1 4.24Å | ||
| 250 | P | 92.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 20% | 0.201 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -65.9 | -20.8 | 177.7 | 29 | -36.5 | 0 | 0 | 0 | 113.4 | V200 G230 I232 | V200-P250 HydrophobicContact CG2-CB 4.08Å; G230-P250 WeakPolarHBondContact O-CG 3.49Å; I232-P250 HydrophobicContact CD1-CB 4.25Å |
| 251 | T | 91.9 | Very high | 94.4 | Very high | 126 Ų | 126 | 50 Ų | 50 | 77% | 0.773 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -78.6 | -28.5 | 176.8 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | D249 | D249-T251 PolarHBondContact O-N 3.41Å; D249-T251 WeakPolarHBondContact OD1-CB 3.36Å; D249-T251 PolarHBondContact OD1-N 3.28Å; D249-T251 PolarHBondContact OD1-OG1 3.34Å; D249-T251 PolarHBondContact OD2-OG1 2.85Å; D249-T251 VanDerWaalsContact OD2-OG1 3.08Å |
| 252 | N | 91.7 | Very high | 94.3 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -126.8 | 79.3 | 175.5 | -177 | 18.8 | 0 | 0 | 0 | 110.3 | D249 E254 | D249-N252 CarbonylContact O-C 3.57Å; D249-N252 PolarHBondContact O-N 3.46Å; D249-N252 VanDerWaalsContact O-O 3.09Å; N252-E254 VanDerWaalsContact C-N 3.29Å; N252-E254 PolarHBondContact O-N 3.32Å |
| 253 | F | 90.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.8 | -168.4 | -138.4 | 173.1 | 0 | 0 | 0 | 114.7 | L198 V200 A210 E211 R212 I232 W248 D249 | L198-F253 HydrophobicContact CB-CZ 4.23Å; L198-F253 HydrophobicContact CD2-CE2 3.65Å; L198-F253 HydrophobicContact CD2-CZ 3.41Å; L198-F253 VanDerWaalsContact CD2-CZ 3.41Å; L198-F253 HydrophobicContact CG-CE2 4.32Å; L198-F253 HydrophobicContact CG-CZ 3.61Å; V200-F253 HydrophobicContact CG2-CE1 4.32Å; A210-F253 HydrophobicContact CB-CD1 3.88Å; A210-F253 HydrophobicContact CB-CE1 4.16Å; E211-F253 VanDerWaalsContact C-CE1 3.49Å; E211-F253 WeakPolarHBondContact O-CD1 3.22Å; R212-F253 HydrophobicContact CB-CD1 3.76Å; R212-F253 HydrophobicContact CB-CD2 3.52Å; R212-F253 HydrophobicContact CB-CE1 3.76Å; R212-F253 HydrophobicContact CB-CE2 3.52Å; R212-F253 HydrophobicContact CB-CG 3.68Å; R212-F253 HydrophobicContact CB-CZ 3.67Å; R212-F253 VanDerWaalsContact CD-O 3.31Å; R212-F253 WeakPolarHBondContact CD-O 3.47Å; R212-F253 HydrophobicContact CG-CD2 4.16Å; R212-F253 HydrophobicContact CG-CE2 4.26Å; I232-F253 HydrophobicContact CD1-CZ 4.35Å; W248-F253 HydrophobicContact CB-CD2 4.35Å; W248-F253 HydrophobicContact CB-CE2 3.95Å; W248-F253 HydrophobicContact CD2-CE2 4.39Å; W248-F253 HydrophobicContact CE3-CD2 4.14Å; W248-F253 HydrophobicContact CE3-CE2 4.34Å; W248-F253 HydrophobicContact CG-CE2 4.24Å; D249-F253 PolarHBondContact O-N 2.78Å |
| 254 | E | 89.8 | Confident | 94 | Very high | 143 Ų | 143 | 54 Ų | 54 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -39.4 | -175 | -66.8 | -171 | 169.9 | 0 | 0 | 112.8 | R212 N252 | R212-E254 PolarHBondContact NH1-O 3.48Å; R212-E254 PolarHBondContact NH2-O 3.07Å; N252-E254 VanDerWaalsContact C-N 3.29Å; N252-E254 PolarHBondContact O-N 3.32Å |
| 255 | E | 91.8 | Very high | 93.8 | Very high | 133 Ų | 133 | 55.4 Ų | 55.4 | 62% | 0.621 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -130.1 | 142.9 | -175.8 | -69.3 | -64.6 | 160.7 | 0 | 0 | 110.7 | ||
| 256 | P | 94.9 | Very high | 93.3 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | trans | -70.3 | 143.5 | 174.5 | 28.2 | -31 | 0 | 0 | 0 | 110.9 | L247 W248 A258 L259 | L247-P256 CarbonylContact O-C 3.59Å; W248-P256 HydrophobicContact CD2-CB 4.12Å; W248-P256 HydrophobicContact CE3-CB 3.94Å; W248-P256 HydrophobicContact CH2-CB 3.67Å; W248-P256 HydrophobicContact CH2-CG 3.89Å; W248-P256 HydrophobicContact CZ2-CB 3.84Å; W248-P256 HydrophobicContact CZ2-CG 4.38Å; W248-P256 HydrophobicContact CZ3-CB 3.74Å; W248-P256 HydrophobicContact CZ3-CG 4.12Å; P256-A258 VanDerWaalsContact C-N 3.28Å; P256-L259 HydrophobicContact CB-CB 4.44Å; P256-L259 HydrophobicContact CG-CB 4.12Å | ||
| 257 | I | 94.9 | Very high | 93.1 | Very high | 50 Ų | 50 | 61.3 Ų | 61.3 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -62.3 | -42.4 | 168.2 | -55 | -179.2 | 0 | 0 | 0 | 109.6 | L247 D249 Y301 | L247-I257 HydrophobicContact CB-CB 4.36Å; L247-I257 HydrophobicContact CD2-CB 4.17Å; L247-I257 HydrophobicContact CD2-CD1 4.36Å; L247-I257 HydrophobicContact CD2-CG2 4.04Å; L247-I257 HydrophobicContact CG-CB 4.14Å; L247-I257 HydrophobicContact CG-CD1 4.18Å; L247-I257 WeakPolarHBondContact O-CB 3.48Å; L247-I257 PolarHBondContact O-N 3.06Å; D249-I257 HydrophobicContact CB-CD1 3.98Å; D249-I257 HydrophobicContact CB-CG1 4.24Å; I257-Y301 HydrophobicContact CG2-CD1 4Å; I257-Y301 HydrophobicContact CG2-CD2 3.58Å; I257-Y301 HydrophobicContact CG2-CE1 4.12Å; I257-Y301 HydrophobicContact CG2-CE2 3.69Å; I257-Y301 HydrophobicContact CG2-CG 3.72Å |
| 258 | A | 95.1 | Very high | 93 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G246 L247 P256 L260 P300 Y301 V302 | G246-A258 CarbonylContact C-O 3.6Å; G246-A258 WeakPolarHBondContact CA-O 3.41Å; L247-A258 HydrophobicContact CB-CB 4.17Å; L247-A258 PolarHBondContact N-O 3.4Å; L247-A258 PolarHBondContact O-N 3.27Å; P256-A258 VanDerWaalsContact C-N 3.28Å; A258-L260 HydrophobicContact CB-CD1 3.75Å; A258-P300 WeakPolarHBondContact CB-O 3.43Å; A258-Y301 HydrophobicContact CB-CD2 4.24Å; A258-V302 HydrophobicContact CB-CG2 4.29Å |
| 259 | L | 95.4 | Very high | 93 | Very high | 88 Ų | 88 | 62 Ų | 62 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.7 | 171.7 | -167 | 72.3 | 0 | 0 | 0 | 108.6 | L245 P256 | L245-L259 CarbonylContact O-C 3.59Å; L245-L259 WeakPolarHBondContact O-CA 3.19Å; P256-L259 HydrophobicContact CB-CB 4.44Å; P256-L259 HydrophobicContact CG-CB 4.12Å |
| 260 | L | 95.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 23% | 0.225 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124 | -174.2 | -71.8 | 82.1 | 0 | 0 | 0 | 110.6 | E244 L245 A258 V302 | E244-L260 CarbonylContact C-O 3.57Å; E244-L260 WeakPolarHBondContact CA-O 3.41Å; L245-L260 HydrophobicContact CB-CB 4.44Å; L245-L260 PolarHBondContact N-O 2.84Å; L245-L260 PolarHBondContact O-N 2.62Å; A258-L260 HydrophobicContact CB-CD1 3.75Å; L260-V302 HydrophobicContact CD1-CB 4.02Å; L260-V302 HydrophobicContact CD1-CG2 4.46Å; L260-V302 HydrophobicContact CD2-CB 4.31Å; L260-V302 HydrophobicContact CD2-CG1 4.48Å |
| 261 | E | 95 | Very high | 93.3 | Very high | 126 Ų | 126 | 59.8 Ų | 59.8 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 145.6 | 171.3 | -62.4 | -179.1 | 180 | 0 | 0 | 111.2 | T238 | T238-E261 HydrophobicContact CG2-CG 4.26Å |
| 262 | L | 92.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | trans | -113.9 | -80.1 | -179.5 | -70.2 | -177.5 | 0 | 0 | 0 | 113.2 | R243 L245 L269 L282 F293 | R243-L262 HydrophobicContact CB-CB 4.3Å; R243-L262 WeakPolarHBondContact O-CB 3.22Å; R243-L262 PolarHBondContact O-N 3.13Å; L245-L262 HydrophobicContact CD1-CD1 3.86Å; L245-L262 HydrophobicContact CD1-CD2 3.89Å; L245-L262 HydrophobicContact CD1-CG 4.01Å; L245-L262 HydrophobicContact CD2-CD1 3.65Å; L245-L262 HydrophobicContact CD2-CG 4.38Å; L245-L262 HydrophobicContact CG-CD1 3.69Å; L245-L262 HydrophobicContact CG-CD2 4.33Å; L245-L262 HydrophobicContact CG-CG 3.89Å; L262-L269 HydrophobicContact CD1-CD1 3.6Å; L262-L282 HydrophobicContact CD1-CD1 4.08Å; L262-F293 HydrophobicContact CD2-CE1 4.27Å; L262-F293 HydrophobicContact CD2-CZ 3.68Å | ||
| 263 | D | 92.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | trans | -154 | 178.1 | -176.2 | 65.1 | 42.3 | 0 | 0 | 0 | 111.5 | Q242 R243 S265 R291 | Q242-D263 CarbonylContact C-O 3.59Å; Q242-D263 VanDerWaalsContact CA-O 3.29Å; Q242-D263 WeakPolarHBondContact CA-O 3.31Å; R243-D263 IonicContact CZ-OD1 4Å; R243-D263 VanDerWaalsContact CZ-OD1 3.28Å; R243-D263 IonicContact CZ-OD2 3.42Å; R243-D263 PolarHBondContact N-O 3.02Å; R243-D263 IonicContact NE-OD1 3.28Å; R243-D263 PolarHBondContact NE-OD1 3.24Å; R243-D263 IonicContact NE-OD2 2.74Å; R243-D263 IonicContact NH2-OD1 3.97Å; R243-D263 PolarHBondContact NH2-OD1 2.95Å; R243-D263 VanDerWaalsContact NH2-OD1 3.13Å; R243-D263 IonicContact NH2-OD2 3.4Å; R243-D263 PolarHBondContact NH2-OD2 3.26Å; D263-S265 VanDerWaalsContact CG-OG 3.25Å; D263-S265 WeakPolarHBondContact OD1-CB 3.41Å; D263-S265 PolarHBondContact OD1-N 3.48Å; D263-S265 PolarHBondContact OD1-OG 3.2Å; D263-S265 PolarHBondContact OD2-OG 3.42Å; D263-R291 IonicContact OD2-CZ 3.28Å; D263-R291 IonicContact OD2-NH1 3.3Å; D263-R291 PolarHBondContact OD2-NH1 2.73Å; D263-R291 IonicContact OD2-NH2 2.68Å; D263-R291 PolarHBondContact OD2-NH2 2.89Å | ||
| 264 | T | 91.8 | Very high | 94.1 | Very high | 104 Ų | 104 | 52.4 Ų | 52.4 | 64% | 0.638 | 28% | 0.276 | S | S | * | . | trans | -94.5 | 20.6 | -176.9 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | Q242 | Q242-T264 HydrophobicContact CG-CG2 3.56Š| ||
| 265 | S | 91.3 | Very high | 94.3 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | trans | -74.3 | 152.3 | -178.3 | -43.7 | 0 | 0 | 0 | 0 | 111.7 | F237 R243 D263 | F237-S265 WeakPolarHBondContact CE1-O 3.33Å; R243-S265 VanDerWaalsContact CG-O 3.29Å; R243-S265 WeakPolarHBondContact CG-O 3.37Å; R243-S265 PolarHBondContact NH2-OG 3.25Å; D263-S265 VanDerWaalsContact CG-OG 3.25Å; D263-S265 WeakPolarHBondContact OD1-CB 3.41Å; D263-S265 PolarHBondContact OD1-N 3.48Å; D263-S265 PolarHBondContact OD1-OG 3.2Å; D263-S265 PolarHBondContact OD2-OG 3.42Å | ||
| 266 | N | 87 | Confident | 94.3 | Very high | 107 Ų | 107 | 41.8 Ų | 41.8 | 57% | 0.572 | 23% | 0.232 | S | C | * | . | trans | -87.7 | -17.5 | -175.7 | -70.8 | -47.5 | 0 | 0 | 0 | 115.1 | R220 | R220-N266 PolarHBondContact NH2-OD1 2.99Š| ||
| 267 | G | 90.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -72.8 | 131.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R243 L269 | R243-G267 VanDerWaalsContact CD-O 3.32Å; R243-G267 WeakPolarHBondContact CD-O 3.29Å; R243-G267 PolarHBondContact NH1-O 3.16Å; G267-L269 PolarHBondContact O-N 3.11Å |
| 268 | V | 95.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 9% | 0.085 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -62 | 124.9 | 172.7 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | P221 R223 F237 G284 | P221-V268 HydrophobicContact CB-CG2 3.95Å; P221-V268 HydrophobicContact CG-CG2 4.16Å; R223-V268 HydrophobicContact CG-CG1 3.91Å; F237-V268 HydrophobicContact CE2-CG2 4.35Å; V268-G284 WeakPolarHBondContact O-CA 3.29Å |
| 269 | L | 96.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 123.5 | 178.3 | -75.4 | 170.5 | 0 | 0 | 0 | 110.2 | R223 T235 R243 L245 L262 G267 P271 L282 | R223-L269 WeakPolarHBondContact CG-O 3.48Å; T235-L269 HydrophobicContact CG2-CB 3.97Å; T235-L269 PolarHBondContact OG1-O 3.26Å; R243-L269 HydrophobicContact CB-CD1 4.1Å; L245-L269 HydrophobicContact CD2-CD1 4.42Å; L262-L269 HydrophobicContact CD1-CD1 3.6Å; G267-L269 PolarHBondContact O-N 3.11Å; L269-P271 WeakPolarHBondContact O-CD 3.47Å; L269-L282 HydrophobicContact CD1-CD1 4.4Å; L269-L282 HydrophobicContact CD2-CB 4.17Å |
| 270 | L | 97 | Very high | 94.3 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.1 | 170.5 | -57.1 | -179.3 | 0 | 0 | 0 | 108.7 | D36 R223 Y272 C283 | D36-L270 WeakPolarHBondContact O-CD2 3.49Å; R223-L270 HydrophobicContact CG-CD2 4.09Å; L270-Y272 HydrophobicContact CB-CE2 3.76Å; L270-C283 WeakPolarHBondContact CB-O 3.37Å; L270-C283 PolarHBondContact N-O 3.2Å; L270-C283 PolarHBondContact O-N 3.35Å |
| 271 | P | 97.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.7 | 174.6 | 34.6 | -33.6 | 0 | 0 | 0 | 110.6 | R223 I225 F233 T235 L269 V280 L282 | R223-P271 HydrophobicContact CB-CG 4.18Å; I225-P271 HydrophobicContact CD1-CB 3.69Å; I225-P271 HydrophobicContact CD1-CG 3.91Å; I225-P271 HydrophobicContact CG1-CB 4.18Å; I225-P271 HydrophobicContact CG1-CG 3.95Å; I225-P271 HydrophobicContact CG2-CG 3.94Å; F233-P271 HydrophobicContact CD1-CB 3.92Å; F233-P271 HydrophobicContact CE1-CB 3.97Å; T235-P271 HydrophobicContact CG2-CB 4.14Å; T235-P271 HydrophobicContact CG2-CG 4.2Å; L269-P271 WeakPolarHBondContact O-CD 3.47Å; P271-V280 HydrophobicContact CB-CG2 3.99Å; P271-L282 HydrophobicContact CB-CD2 3.79Å |
| 272 | Y | 97.4 | Very high | 94.6 | Very high | 35 Ų | 35 | 27.3 Ų | 27.3 | 14% | 0.137 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.6 | 170 | -63.7 | -88.1 | 0 | 0 | 0 | 108.1 | S38 L270 V280 Y281 C283 M317 F319 | S38-Y272 WeakPolarHBondContact CB-OH 3.35Å; L270-Y272 HydrophobicContact CB-CE2 3.76Å; Y272-V280 CarbonylContact O-C 3.58Å; Y272-V280 WeakPolarHBondContact O-CA 3.35Å; Y272-Y281 PolarHBondContact N-O 3.08Å; Y272-Y281 PolarHBondContact O-N 3.1Å; Y272-C283 WeakPolarHBondContact CE2-SG 3.39Å; Y272-M317 HydrophobicContact CE2-CB 4.25Å; Y272-M317 HydrophobicContact CE2-CG 4.23Å; Y272-M317 PolarHBondContact OH-O 3.32Å; Y272-F319 HydrophobicContact CD1-CB 3.34Å; Y272-F319 HydrophobicContact CD1-CD2 4.2Å; Y272-F319 AromaticContact CD1-CG 3.83Å; Y272-F319 HydrophobicContact CD1-CG 3.83Å; Y272-F319 HydrophobicContact CE1-CB 3.8Å; Y272-F319 HydrophobicContact CG-CB 4.06Å; Y272-F319 HydrophobicContact CG-CD2 4.08Å; Y272-F319 HydrophobicContact CG-CG 4.18Å |
| 273 | Y | 97.1 | Very high | 94.7 | Very high | 40 Ų | 40 | 25.1 Ų | 25.1 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.2 | -175.1 | 175.4 | -112.6 | 0 | 0 | 0 | 111.6 | I225 I227 R228 A275 N278 M279 V280 I295 | I225-Y273 VanDerWaalsContact CD1-CB 3.42Å; I225-Y273 HydrophobicContact CD1-CG 4.42Å; I227-Y273 HydrophobicContact CB-CD1 4.4Å; I227-Y273 HydrophobicContact CB-CE1 3.86Å; I227-Y273 HydrophobicContact CB-CE2 4.12Å; I227-Y273 HydrophobicContact CG2-CD1 4.3Å; I227-Y273 HydrophobicContact CG2-CD2 4.08Å; I227-Y273 HydrophobicContact CG2-CE1 4.2Å; I227-Y273 HydrophobicContact CG2-CE2 3.98Å; I227-Y273 HydrophobicContact CG2-CG 4.23Å; R228-Y273 HydrophobicContact CB-CE1 4.21Å; R228-Y273 WeakPolarHBondContact CB-OH 3.16Å; R228-Y273 PolarHBondContact N-OH 2.79Å; R228-Y273 VanDerWaalsContact N-OH 3.09Å; Y273-A275 HydrophobicContact CD1-CB 4.3Å; Y273-A275 HydrophobicContact CE1-CB 3.69Å; Y273-N278 PolarHBondContact OH-OD1 2.94Å; Y273-M279 WeakPolarHBondContact CD2-O 3.37Å; Y273-V280 HydrophobicContact CD2-CB 4.37Å; Y273-I295 HydrophobicContact CD2-CD1 4.44Å; Y273-I295 HydrophobicContact CE2-CD1 4.23Å |
| 274 | D | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 104.2 | 172.8 | 176.2 | -4.8 | 0 | 0 | 0 | 108.6 | D276 A277 N278 M279 Y281 F319 K322 | D274-D276 VanDerWaalsContact C-N 3.26Å; D274-D276 PolarHBondContact O-N 3.22Å; D274-D276 PolarHBondContact OD1-N 2.76Å; D274-A277 HydrophobicContact CB-CB 4.44Å; D274-A277 PolarHBondContact OD1-N 2.74Å; D274-A277 VanDerWaalsContact OD1-N 3.12Å; D274-A277 VanDerWaalsContact OD2-CB 3.23Å; D274-A277 WeakPolarHBondContact OD2-CB 3.32Å; D274-N278 VanDerWaalsContact O-CA 3.27Å; D274-N278 WeakPolarHBondContact O-CA 3.43Å; D274-N278 PolarHBondContact O-N 3.15Å; D274-M279 HydrophobicContact CB-CB 4.44Å; D274-M279 PolarHBondContact N-O 3.06Å; D274-M279 PolarHBondContact O-N 2.94Å; D274-M279 VanDerWaalsContact O-N 3.15Å; D274-Y281 HydrophobicContact CB-CE2 4.3Å; D274-F319 HydrophobicContact CB-CZ 4.49Å; D274-K322 WeakPolarHBondContact OD1-CE 3.1Å; D274-K322 IonicContact OD1-NZ 3.34Å; D274-K322 PolarHBondContact OD1-NZ 2.9Å; D274-K322 VanDerWaalsContact OD2-CE 3.22Å; D274-K322 WeakPolarHBondContact OD2-CE 3.37Å; D274-K322 IonicContact OD2-NZ 2.78Å; D274-K322 PolarHBondContact OD2-NZ 3Å |
| 275 | A | 93.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 20.9 Ų | 20.9 | 26% | 0.256 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R228 Y273 N278 | R228-A275 HydrophobicContact CB-CB 4.35Å; R228-A275 VanDerWaalsContact CD-O 3.23Å; R228-A275 WeakPolarHBondContact CD-O 3.46Å; Y273-A275 HydrophobicContact CD1-CB 4.3Å; Y273-A275 HydrophobicContact CE1-CB 3.69Å; A275-N278 PolarHBondContact O-OD1 2.84Å |
| 276 | D | 92.9 | Very high | 94.9 | Very high | 21 Ų | 21 | 21.6 Ų | 21.6 | 11% | 0.112 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -40.7 | -178.9 | -61.8 | -18.7 | 0 | 0 | 0 | 110.4 | D274 K322 P363 T365 | D274-D276 VanDerWaalsContact C-N 3.26Å; D274-D276 PolarHBondContact O-N 3.22Å; D274-D276 PolarHBondContact OD1-N 2.76Å; D276-K322 WeakPolarHBondContact OD2-CD 3.48Å; D276-K322 WeakPolarHBondContact OD2-CE 3.21Å; D276-K322 VanDerWaalsContact OD2-CG 3.27Å; D276-K322 WeakPolarHBondContact OD2-CG 3.42Å; D276-P363 HydrophobicContact CB-CG 3.78Å; D276-T365 WeakPolarHBondContact OD2-CB 3.37Å; D276-T365 PolarHBondContact OD2-OG1 3.26Å |
| 277 | A | 92.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -9.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | F11 D274 M279 | F11-A277 HydrophobicContact CE1-CB 3.99Å; F11-A277 HydrophobicContact CE2-CB 4.13Å; F11-A277 VanDerWaalsContact CE2-O 3.23Å; F11-A277 WeakPolarHBondContact CE2-O 3.49Å; F11-A277 HydrophobicContact CZ-CB 3.55Å; D274-A277 HydrophobicContact CB-CB 4.44Å; D274-A277 PolarHBondContact OD1-N 2.74Å; D274-A277 VanDerWaalsContact OD1-N 3.12Å; D274-A277 VanDerWaalsContact OD2-CB 3.23Å; D274-A277 WeakPolarHBondContact OD2-CB 3.32Å; A277-M279 HydrophobicContact CB-CB 4.18Å; A277-M279 HydrophobicContact CB-CG 3.86Å; A277-M279 HydrophobicContact CB-SD 4.13Å; A277-M279 PolarHBondContact O-N 2.8Å |
| 278 | N | 94.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 18.9 Ų | 18.9 | 21% | 0.214 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 41.1 | -167.2 | -72.9 | -22.4 | 0 | 0 | 0 | 112.5 | Y273 D274 A275 I295 | Y273-N278 PolarHBondContact OH-OD1 2.94Å; D274-N278 VanDerWaalsContact O-CA 3.27Å; D274-N278 WeakPolarHBondContact O-CA 3.43Å; D274-N278 PolarHBondContact O-N 3.15Å; A275-N278 PolarHBondContact O-OD1 2.84Å; N278-I295 WeakPolarHBondContact CB-O 3.23Å; N278-I295 PolarHBondContact O-N 2.82Å |
| 279 | M | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.8 | -179.3 | -70.8 | -173.7 | 59 | 0 | 0 | 110.8 | F11 V14 Y273 D274 A277 Y281 Y292 F293 L305 I332 | F11-M279 HydrophobicContact CB-SD 3.78Å; F11-M279 HydrophobicContact CD1-SD 3.64Å; F11-M279 HydrophobicContact CD2-CG 4.37Å; F11-M279 HydrophobicContact CD2-SD 4.06Å; F11-M279 HydrophobicContact CE1-SD 4.17Å; F11-M279 HydrophobicContact CG-CG 4.44Å; F11-M279 HydrophobicContact CG-SD 3.56Å; F11-M279 VanDerWaalsContact CG-SD 3.56Å; V14-M279 HydrophobicContact CG1-CE 4.35Å; V14-M279 HydrophobicContact CG2-CE 4.38Å; V14-M279 HydrophobicContact CG2-SD 4.47Å; Y273-M279 WeakPolarHBondContact CD2-O 3.37Å; D274-M279 HydrophobicContact CB-CB 4.44Å; D274-M279 PolarHBondContact N-O 3.06Å; D274-M279 PolarHBondContact O-N 2.94Å; D274-M279 VanDerWaalsContact O-N 3.15Å; A277-M279 HydrophobicContact CB-CB 4.18Å; A277-M279 HydrophobicContact CB-CG 3.86Å; A277-M279 HydrophobicContact CB-SD 4.13Å; A277-M279 PolarHBondContact O-N 2.8Å; M279-Y281 HydrophobicContact CB-CE2 4.17Å; M279-Y281 HydrophobicContact CE-CE1 4.24Å; M279-Y292 HydrophobicContact CE-CD2 4.04Å; M279-F293 CarbonylContact C-O 3.59Å; M279-F293 VanDerWaalsContact CA-O 3.29Å; M279-F293 WeakPolarHBondContact CA-O 3.4Å; M279-L305 HydrophobicContact CE-CD1 3.39Å; M279-L305 HydrophobicContact SD-CD1 4.12Å; M279-I332 HydrophobicContact CE-CD1 4.13Å; M279-I332 HydrophobicContact SD-CD1 3.59Å; M279-I332 VanDerWaalsContact SD-CD1 3.59Å |
| 280 | V | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.3 | 173 | 64.2 | 0 | 0 | 0 | 0 | 110 | F233 P271 Y272 Y273 L282 Y292 F293 I295 | F233-V280 HydrophobicContact CD1-CG2 4.16Å; F233-V280 HydrophobicContact CE1-CG1 4.48Å; F233-V280 HydrophobicContact CE1-CG2 3.96Å; F233-V280 HydrophobicContact CE2-CG1 4.12Å; F233-V280 HydrophobicContact CZ-CG1 4.01Å; F233-V280 HydrophobicContact CZ-CG2 4.32Å; P271-V280 HydrophobicContact CB-CG2 3.99Å; Y272-V280 CarbonylContact O-C 3.58Å; Y272-V280 WeakPolarHBondContact O-CA 3.35Å; Y273-V280 HydrophobicContact CD2-CB 4.37Å; V280-L282 HydrophobicContact CG2-CD2 3.77Å; V280-Y292 CarbonylContact O-C 3.49Å; V280-Y292 WeakPolarHBondContact O-CA 3.43Å; V280-F293 HydrophobicContact CG1-CB 3.81Å; V280-F293 HydrophobicContact CG1-CD2 4.41Å; V280-F293 PolarHBondContact N-O 3.03Å; V280-F293 PolarHBondContact O-N 3.39Å; V280-I295 HydrophobicContact CB-CD1 4.43Å; V280-I295 HydrophobicContact CG1-CD1 4.17Å; V280-I295 HydrophobicContact CG1-CG1 4.35Å |
| 281 | Y | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.9 | 176.1 | -55.6 | -94.9 | 0 | 0 | 0 | 108.7 | Y272 D274 M279 I290 R291 Y292 F319 I332 A333 L335 M348 | Y272-Y281 PolarHBondContact N-O 3.08Å; Y272-Y281 PolarHBondContact O-N 3.1Å; D274-Y281 HydrophobicContact CB-CE2 4.3Å; M279-Y281 HydrophobicContact CB-CE2 4.17Å; M279-Y281 HydrophobicContact CE-CE1 4.24Å; Y281-I290 HydrophobicContact CD1-CG2 4.47Å; Y281-R291 CarbonylContact C-O 3.5Å; Y281-R291 WeakPolarHBondContact CA-O 3.46Å; Y281-Y292 HydrophobicContact CD1-CD1 4.19Å; Y281-Y292 HydrophobicContact CD1-CG 4.09Å; Y281-Y292 HydrophobicContact CE1-CD1 4.41Å; Y281-Y292 HydrophobicContact CE1-CG 4.12Å; Y281-F319 AromaticContact CD2-CE2 3.72Å; Y281-F319 HydrophobicContact CD2-CE2 3.72Å; Y281-F319 HydrophobicContact CD2-CZ 4.2Å; Y281-F319 HydrophobicContact CE2-CE2 4.01Å; Y281-F319 HydrophobicContact CE2-CZ 4.21Å; Y281-F319 HydrophobicContact CG-CE2 4.42Å; Y281-I332 WeakPolarHBondContact OH-CD1 3.36Å; Y281-A333 HydrophobicContact CE1-CB 4.45Å; Y281-A333 HydrophobicContact CE2-CB 3.88Å; Y281-A333 WeakPolarHBondContact OH-CB 3.37Å; Y281-L335 HydrophobicContact CD1-CD1 4.28Å; Y281-M348 HydrophobicContact CD1-CE 4.45Å; Y281-M348 HydrophobicContact CD1-CG 4.46Å; Y281-M348 HydrophobicContact CE1-CB 4.3Å; Y281-M348 HydrophobicContact CE1-CE 3.91Å; Y281-M348 HydrophobicContact CE1-CG 3.79Å; Y281-M348 HydrophobicContact CE1-SD 4.47Å |
| 282 | L | 97.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.4 | -178 | -54.3 | -174.2 | 0 | 0 | 0 | 109.6 | F233 T235 L245 L262 L269 P271 V280 R291 F293 | F233-L282 HydrophobicContact CE1-CD2 3.74Å; F233-L282 HydrophobicContact CZ-CD1 4.45Å; F233-L282 HydrophobicContact CZ-CD2 4.13Å; T235-L282 HydrophobicContact CG2-CD2 4.03Å; L245-L282 HydrophobicContact CD1-CD1 3.66Å; L245-L282 HydrophobicContact CD2-CD1 3.34Å; L245-L282 HydrophobicContact CG-CD1 4.11Å; L262-L282 HydrophobicContact CD1-CD1 4.08Å; L269-L282 HydrophobicContact CD1-CD1 4.4Å; L269-L282 HydrophobicContact CD2-CB 4.17Å; P271-L282 HydrophobicContact CB-CD2 3.79Å; V280-L282 HydrophobicContact CG2-CD2 3.77Å; L282-R291 PolarHBondContact N-O 3.36Å; L282-R291 PolarHBondContact O-N 2.62Å; L282-R291 VanDerWaalsContact O-N 3.08Å; L282-F293 HydrophobicContact CD1-CD2 3.99Å; L282-F293 HydrophobicContact CD1-CE2 3.55Å; L282-F293 HydrophobicContact CD1-CZ 4.4Å; L282-F293 HydrophobicContact CG-CD2 4.23Å; L282-F293 HydrophobicContact CG-CE2 4.11Å |
| 283 | C | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 136.2 | 175.5 | 70.3 | 0 | 0 | 0 | 0 | 110.7 | L270 Y272 I290 Q314 M317 | L270-C283 WeakPolarHBondContact CB-O 3.37Å; L270-C283 PolarHBondContact N-O 3.2Å; L270-C283 PolarHBondContact O-N 3.35Å; Y272-C283 WeakPolarHBondContact CE2-SG 3.39Å; C283-I290 HydrophobicContact CB-CG1 4.26Å; C283-Q314 PolarHBondContact SG-NE2 2.81Å; C283-M317 HydrophobicContact CB-CE 4.2Å |
| 284 | G | 93.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | V268 G286 D287 Q314 | V268-G284 WeakPolarHBondContact O-CA 3.29Å; G284-G286 PolarHBondContact O-N 2.77Å; G284-D287 WeakPolarHBondContact CA-OD2 3.41Å; G284-D287 PolarHBondContact N-OD2 2.86Å; G284-D287 VanDerWaalsContact N-OD2 3.17Å; G284-D287 WeakPolarHBondContact O-CB 3.39Å; G284-D287 PolarHBondContact O-N 2.98Å; G284-Q314 WeakPolarHBondContact O-CG 3.2Å; G284-Q314 PolarHBondContact O-NE2 3.07Å |
| 285 | K | 93.3 | Very high | 95.4 | Very high | 45 Ų | 45 | 17.7 Ų | 17.7 | 20% | 0.196 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 130.8 | 170.6 | -68.8 | -169.9 | 178.6 | -178.6 | 0 | 109.5 | W35 S37 F39 R315 | W35-K285 PolarHBondContact O-NZ 3.34Å; S37-K285 WeakPolarHBondContact O-CE 3.44Å; S37-K285 PolarHBondContact O-NZ 3.49Å; F39-K285 VanDerWaalsContact CE2-NZ 3.33Å; F39-K285 VanDerWaalsContact CZ-NZ 3.32Å; K285-R315 VanDerWaalsContact CD-O 3.25Å; K285-R315 WeakPolarHBondContact CD-O 3.26Å; K285-R315 WeakPolarHBondContact CE-O 3.28Å; K285-R315 WeakPolarHBondContact CG-O 3.43Å |
| 286 | G | 93.3 | Very high | 95.4 | Very high | 53 Ų | 53 | 17.8 Ų | 17.8 | 55% | 0.546 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -15.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | G284 P313 Q314 | G284-G286 PolarHBondContact O-N 2.77Å; G286-P313 VanDerWaalsContact O-CB 3.27Å; G286-P313 WeakPolarHBondContact O-CB 3.48Å; G286-Q314 PolarHBondContact N-O 2.76Å |
| 287 | D | 94.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | trans | -76.5 | 150.8 | 175.2 | -66.1 | -26.2 | 0 | 0 | 0 | 111.1 | R243 G284 P313 Q314 | R243-D287 IonicContact CZ-OD1 2.79Å; R243-D287 IonicContact CZ-OD2 3.42Å; R243-D287 IonicContact NH1-OD1 3.25Å; R243-D287 PolarHBondContact NH1-OD1 3.42Å; R243-D287 IonicContact NH1-OD2 2.65Å; R243-D287 PolarHBondContact NH1-OD2 3.32Å; R243-D287 IonicContact NH2-OD1 2.84Å; R243-D287 IonicContact NH2-OD2 3.34Å; G284-D287 WeakPolarHBondContact CA-OD2 3.41Å; G284-D287 PolarHBondContact N-OD2 2.86Å; G284-D287 VanDerWaalsContact N-OD2 3.17Å; G284-D287 WeakPolarHBondContact O-CB 3.39Å; G284-D287 PolarHBondContact O-N 2.98Å; D287-P313 CarbonylContact O-C 3.57Å; D287-P313 WeakPolarHBondContact O-CA 3.23Å; D287-Q314 WeakPolarHBondContact O-CG 3.46Å; D287-Q314 PolarHBondContact O-N 3.44Å | ||
| 288 | S | 94.7 | Very high | 95.1 | Very high | 48 Ų | 48 | 30 Ų | 30 | 34% | 0.336 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -104.1 | 5.7 | 171.5 | 74.5 | 0 | 0 | 0 | 0 | 113 | S310 | S288-S310 WeakPolarHBondContact CB-O 3.49Å; S288-S310 PolarHBondContact O-N 3.25Å; S288-S310 PolarHBondContact O-OG 3.03Å; S288-S310 PolarHBondContact OG-O 2.53Å |
| 289 | S | 95.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 12% | 0.119 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.5 | -174.5 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | F308 | S289-F308 CarbonylContact C-O 3.57Å; S289-F308 WeakPolarHBondContact CA-O 3.42Å; S289-F308 WeakPolarHBondContact CB-O 3.49Å |
| 290 | I | 97.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.5 | 171.3 | -55.7 | 164.5 | 0 | 0 | 0 | 107.2 | Y281 C283 T307 F308 M317 L335 I346 | Y281-I290 HydrophobicContact CD1-CG2 4.47Å; C283-I290 HydrophobicContact CB-CG1 4.26Å; I290-T307 CarbonylContact O-C 3.6Å; I290-T307 WeakPolarHBondContact O-CA 3.5Å; I290-F308 HydrophobicContact CB-CB 4.34Å; I290-F308 HydrophobicContact CD1-CD1 3.97Å; I290-F308 HydrophobicContact CG1-CD1 4.33Å; I290-F308 PolarHBondContact N-O 3.13Å; I290-F308 PolarHBondContact O-N 2.81Å; I290-M317 HydrophobicContact CD1-CE 3.79Å; I290-M317 HydrophobicContact CD1-SD 4.46Å; I290-M317 HydrophobicContact CG1-CE 4.02Å; I290-L335 HydrophobicContact CD1-CD2 4.29Å; I290-L335 HydrophobicContact CG2-CD2 4.25Å; I290-I346 HydrophobicContact CD1-CD1 3.57Å |
| 291 | R | 97.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 39.9 Ų | 39.9 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 143.7 | 176.3 | -57.9 | -168.5 | 178 | 150.6 | 10.5 | 109.4 | D263 Y281 L282 F293 T307 | D263-R291 IonicContact OD2-CZ 3.28Å; D263-R291 IonicContact OD2-NH1 3.3Å; D263-R291 PolarHBondContact OD2-NH1 2.73Å; D263-R291 IonicContact OD2-NH2 2.68Å; D263-R291 PolarHBondContact OD2-NH2 2.89Å; Y281-R291 CarbonylContact C-O 3.5Å; Y281-R291 WeakPolarHBondContact CA-O 3.46Å; L282-R291 PolarHBondContact N-O 3.36Å; L282-R291 PolarHBondContact O-N 2.62Å; L282-R291 VanDerWaalsContact O-N 3.08Å; R291-F293 HydrophobicContact CB-CE2 3.76Å; R291-F293 HydrophobicContact CB-CZ 4.35Å; R291-T307 HydrophobicContact CG-CG2 4.03Å |
| 292 | Y | 97.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.9 | 177.8 | 41.7 | -84.1 | 0 | 0 | 0 | 112.3 | V14 M279 V280 Y281 L305 S306 F308 M348 | V14-Y292 HydrophobicContact CB-CE2 4.23Å; V14-Y292 HydrophobicContact CG1-CD2 4.43Å; V14-Y292 HydrophobicContact CG1-CE2 3.98Å; V14-Y292 PolarHBondContact O-OH 3.47Å; M279-Y292 HydrophobicContact CE-CD2 4.04Å; V280-Y292 CarbonylContact O-C 3.49Å; V280-Y292 WeakPolarHBondContact O-CA 3.43Å; Y281-Y292 HydrophobicContact CD1-CD1 4.19Å; Y281-Y292 HydrophobicContact CD1-CG 4.09Å; Y281-Y292 HydrophobicContact CE1-CD1 4.41Å; Y281-Y292 HydrophobicContact CE1-CG 4.12Å; Y292-L305 HydrophobicContact CD2-CB 3.82Å; Y292-L305 HydrophobicContact CD2-CD1 4.15Å; Y292-L305 HydrophobicContact CE2-CB 4.1Å; Y292-L305 PolarHBondContact O-N 3.31Å; Y292-S306 WeakPolarHBondContact CE1-O 3.22Å; Y292-S306 PolarHBondContact N-O 2.74Å; Y292-S306 VanDerWaalsContact N-O 3.15Å; Y292-S306 VanDerWaalsContact OH-CB 3.28Å; Y292-S306 WeakPolarHBondContact OH-CB 3.45Å; Y292-S306 PolarHBondContact OH-OG 3.32Å; Y292-F308 HydrophobicContact CE1-CB 4.38Å; Y292-M348 HydrophobicContact CD1-CE 3.63Å; Y292-M348 HydrophobicContact CD2-CE 4.4Å; Y292-M348 HydrophobicContact CE1-CE 3.29Å; Y292-M348 HydrophobicContact CE2-CE 4.11Å; Y292-M348 HydrophobicContact CG-CE 4.19Å |
| 293 | F | 97 | Very high | 94.1 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.5 | -172.9 | -57 | -105.2 | 0 | 0 | 0 | 108.9 | L245 L262 M279 V280 L282 R291 V302 H303 Y304 | L245-F293 HydrophobicContact CD1-CD2 4.5Å; L245-F293 HydrophobicContact CD1-CE1 4.07Å; L245-F293 HydrophobicContact CD1-CE2 4.1Å; L245-F293 HydrophobicContact CD1-CZ 3.88Å; L262-F293 HydrophobicContact CD2-CE1 4.27Å; L262-F293 HydrophobicContact CD2-CZ 3.68Å; M279-F293 CarbonylContact C-O 3.59Å; M279-F293 VanDerWaalsContact CA-O 3.29Å; M279-F293 WeakPolarHBondContact CA-O 3.4Å; V280-F293 HydrophobicContact CG1-CB 3.81Å; V280-F293 HydrophobicContact CG1-CD2 4.41Å; V280-F293 PolarHBondContact N-O 3.03Å; V280-F293 PolarHBondContact O-N 3.39Å; L282-F293 HydrophobicContact CD1-CD2 3.99Å; L282-F293 HydrophobicContact CD1-CE2 3.55Å; L282-F293 HydrophobicContact CD1-CZ 4.4Å; L282-F293 HydrophobicContact CG-CD2 4.23Å; L282-F293 HydrophobicContact CG-CE2 4.11Å; R291-F293 HydrophobicContact CB-CE2 3.76Å; R291-F293 HydrophobicContact CB-CZ 4.35Å; F293-V302 HydrophobicContact CB-CG1 3.95Å; F293-V302 HydrophobicContact CD1-CG1 3.85Å; F293-V302 HydrophobicContact CG-CG1 4.1Å; F293-H303 CarbonylContact C-O 3.58Å; F293-H303 WeakPolarHBondContact CA-O 3.3Å; F293-H303 WeakPolarHBondContact CB-O 3.42Å; F293-Y304 VanDerWaalsContact CD1-CA 3.44Å; F293-Y304 HydrophobicContact CD1-CD2 4.26Å; F293-Y304 AromaticContact CE1-CD2 3.7Å; F293-Y304 HydrophobicContact CE1-CD2 3.7Å; F293-Y304 HydrophobicContact CE1-CG 4.19Å; F293-Y304 HydrophobicContact CE2-CD2 4.46Å; F293-Y304 AromaticContact CZ-CD2 3.78Å; F293-Y304 HydrophobicContact CZ-CD2 3.78Å |
| 294 | E | 96.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 9% | 0.089 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.9 | 169.4 | -168.3 | 177.7 | 170.9 | 0 | 0 | 108.7 | R7 S9 F11 T296 H303 L305 | R7-E294 IonicContact CZ-OE2 2.77Å; R7-E294 IonicContact NH1-OE2 2.7Å; R7-E294 IonicContact NH2-OE1 3.63Å; R7-E294 PolarHBondContact NH2-OE1 3.15Å; R7-E294 IonicContact NH2-OE2 3.1Å; R7-E294 PolarHBondContact NH2-OE2 2.91Å; S9-E294 VanDerWaalsContact CB-OE2 3.29Å; S9-E294 WeakPolarHBondContact CB-OE2 3.28Å; S9-E294 PolarHBondContact OG-OE2 3.38Å; F11-E294 HydrophobicContact CD2-CG 4.38Å; E294-T296 HydrophobicContact CG-CG2 4.05Å; E294-H303 PolarHBondContact N-O 2.78Å; E294-H303 PolarHBondContact O-N 3.41Å; E294-L305 HydrophobicContact CB-CD1 4.09Å; E294-L305 HydrophobicContact CB-CD2 4.19Å; E294-L305 HydrophobicContact CB-CG 4.16Å |
| 295 | I | 95.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.4 | 177.3 | -55.8 | 177.2 | 0 | 0 | 0 | 107.9 | I227 F233 L247 Y273 N278 V280 Y301 | I227-I295 HydrophobicContact CD1-CD1 4.35Å; I227-I295 HydrophobicContact CD1-CG2 3.91Å; I227-I295 HydrophobicContact CG2-CD1 3.99Å; F233-I295 HydrophobicContact CD2-CD1 3.98Å; L247-I295 HydrophobicContact CD2-CG2 4.32Å; Y273-I295 HydrophobicContact CD2-CD1 4.44Å; Y273-I295 HydrophobicContact CE2-CD1 4.23Å; N278-I295 WeakPolarHBondContact CB-O 3.23Å; N278-I295 PolarHBondContact O-N 2.82Å; V280-I295 HydrophobicContact CB-CD1 4.43Å; V280-I295 HydrophobicContact CG1-CD1 4.17Å; V280-I295 HydrophobicContact CG1-CG1 4.35Å; I295-Y301 CarbonylContact C-O 3.57Å; I295-Y301 WeakPolarHBondContact CA-O 3.46Å |
| 296 | T | 93.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | trans | -134.5 | 167.1 | 178.1 | 71.4 | 0 | 0 | 0 | 0 | 110.6 | E294 E298 Y301 H303 | E294-T296 HydrophobicContact CG-CG2 4.05Å; T296-E298 PolarHBondContact O-N 2.96Å; T296-E298 PolarHBondContact OG1-N 2.88Å; T296-E298 PolarHBondContact OG1-O 3.46Å; T296-Y301 PolarHBondContact N-O 3.18Å; T296-Y301 WeakPolarHBondContact O-CA 3.38Å; T296-H303 PolarHBondContact OG1-CD2 3.1Å; T296-H303 PolarHBondContact OG1-NE2 3.37Å | ||
| 297 | E | 89.4 | Confident | 94.4 | Very high | 166 Ų | 166 | 46.6 Ų | 46.6 | 78% | 0.776 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -76.7 | -7.5 | 173.3 | -62.1 | 176.6 | -170.5 | 0 | 0 | 112.7 | Y301 | E297-Y301 WeakPolarHBondContact O-CD1 3.33Å; E297-Y301 WeakPolarHBondContact O-CE1 3.34Å |
| 298 | E | 89.9 | Confident | 94.5 | Very high | 116 Ų | 116 | 46.8 Ų | 46.8 | 54% | 0.542 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -88.3 | 128.3 | 179.7 | -66.1 | -175.6 | 166.1 | 0 | 0 | 111 | T296 Y301 H303 | T296-E298 PolarHBondContact O-N 2.96Å; T296-E298 PolarHBondContact OG1-N 2.88Å; T296-E298 PolarHBondContact OG1-O 3.46Å; E298-Y301 VanDerWaalsContact O-CA 3.24Å; E298-Y301 WeakPolarHBondContact O-CA 3.39Å; E298-Y301 PolarHBondContact O-N 3.13Å; E298-H303 PolarHBondContact O-NE2 2.89Å |
| 299 | P | 88.2 | Confident | 94.5 | Very high | 95 Ų | 95 | 48.7 Ų | 48.7 | 62% | 0.617 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 138.6 | 173.9 | -26.9 | 34 | 0 | 0 | 0 | 112.6 | Y301 | P299-Y301 VanDerWaalsContact C-N 3.31Å; P299-Y301 VanDerWaalsContact CA-N 3.32Å; P299-Y301 HydrophobicContact CB-CE2 4.3Å; P299-Y301 HydrophobicContact CG-CE1 4.31Å; P299-Y301 HydrophobicContact CG-CE2 4.17Å |
| 300 | P | 90.8 | Very high | 94.5 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -83.3 | 22.9 | 6.6 | 35.6 | -40.5 | 0 | 0 | 0 | 115.6 | A258 V302 H303 | A258-P300 WeakPolarHBondContact CB-O 3.43Å; P300-V302 PolarHBondContact O-N 3.24Å; P300-H303 VanDerWaalsContact CD-CE1 3.46Å; P300-H303 WeakPolarHBondContact CD-CE1 3.29Å |
| 301 | Y | 92.6 | Very high | 94.3 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 31% | 0.306 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 67.9 | -47.2 | 177.9 | -48.6 | -83.1 | 0 | 0 | 0 | 115 | I257 A258 I295 T296 E297 E298 P299 H303 | I257-Y301 HydrophobicContact CG2-CD1 4Å; I257-Y301 HydrophobicContact CG2-CD2 3.58Å; I257-Y301 HydrophobicContact CG2-CE1 4.12Å; I257-Y301 HydrophobicContact CG2-CE2 3.69Å; I257-Y301 HydrophobicContact CG2-CG 3.72Å; A258-Y301 HydrophobicContact CB-CD2 4.24Å; I295-Y301 CarbonylContact C-O 3.57Å; I295-Y301 WeakPolarHBondContact CA-O 3.46Å; T296-Y301 PolarHBondContact N-O 3.18Å; T296-Y301 WeakPolarHBondContact O-CA 3.38Å; E297-Y301 WeakPolarHBondContact O-CD1 3.33Å; E297-Y301 WeakPolarHBondContact O-CE1 3.34Å; E298-Y301 VanDerWaalsContact O-CA 3.24Å; E298-Y301 WeakPolarHBondContact O-CA 3.39Å; E298-Y301 PolarHBondContact O-N 3.13Å; P299-Y301 VanDerWaalsContact C-N 3.31Å; P299-Y301 VanDerWaalsContact CA-N 3.32Å; P299-Y301 HydrophobicContact CB-CE2 4.3Å; P299-Y301 HydrophobicContact CG-CE1 4.31Å; P299-Y301 HydrophobicContact CG-CE2 4.17Å; Y301-H303 PolarHBondContact O-CD2 3.24Å |
| 302 | V | 95.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 108.4 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | F233 L247 A258 L260 F293 P300 | F233-V302 HydrophobicContact CE2-CG1 4.29Å; F233-V302 HydrophobicContact CE2-CG2 4.37Å; L247-V302 HydrophobicContact CB-CG2 4.17Å; L247-V302 HydrophobicContact CD2-CG2 4.19Å; A258-V302 HydrophobicContact CB-CG2 4.29Å; L260-V302 HydrophobicContact CD1-CB 4.02Å; L260-V302 HydrophobicContact CD1-CG2 4.46Å; L260-V302 HydrophobicContact CD2-CB 4.31Å; L260-V302 HydrophobicContact CD2-CG1 4.48Å; F293-V302 HydrophobicContact CB-CG1 3.95Å; F293-V302 HydrophobicContact CD1-CG1 3.85Å; F293-V302 HydrophobicContact CG-CG1 4.1Å; P300-V302 PolarHBondContact O-N 3.24Å |
| 303 | H | 94.9 | Very high | 94 | Very high | 26 Ų | 26 | 64.4 Ų | 64.4 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.9 | -173.3 | -61.2 | -103.5 | 0 | 0 | 0 | 111.2 | R7 F293 E294 T296 E298 P300 Y301 L305 | R7-H303 PolarHBondContact NH1-CD2 3.03Å; R7-H303 PolarHBondContact NH1-ND1 3.47Å; R7-H303 VanDerWaalsContact NH1-ND1 3.18Å; F293-H303 CarbonylContact C-O 3.58Å; F293-H303 WeakPolarHBondContact CA-O 3.3Å; F293-H303 WeakPolarHBondContact CB-O 3.42Å; E294-H303 PolarHBondContact N-O 2.78Å; E294-H303 PolarHBondContact O-N 3.41Å; T296-H303 PolarHBondContact OG1-CD2 3.1Å; T296-H303 PolarHBondContact OG1-NE2 3.37Å; E298-H303 PolarHBondContact O-NE2 2.89Å; P300-H303 VanDerWaalsContact CD-CE1 3.46Å; P300-H303 WeakPolarHBondContact CD-CE1 3.29Å; Y301-H303 PolarHBondContact O-CD2 3.24Å; H303-L305 PolarHBondContact O-N 3.13Å |
| 304 | Y | 95.6 | Very high | 93.9 | Very high | 130 Ų | 130 | 64.3 Ų | 64.3 | 51% | 0.51 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 128.3 | 174.2 | 175.2 | -102.1 | 0 | 0 | 0 | 111.2 | F293 S306 T307 | F293-Y304 VanDerWaalsContact CD1-CA 3.44Å; F293-Y304 HydrophobicContact CD1-CD2 4.26Å; F293-Y304 AromaticContact CE1-CD2 3.7Å; F293-Y304 HydrophobicContact CE1-CD2 3.7Å; F293-Y304 HydrophobicContact CE1-CG 4.19Å; F293-Y304 HydrophobicContact CE2-CD2 4.46Å; F293-Y304 AromaticContact CZ-CD2 3.78Å; F293-Y304 HydrophobicContact CZ-CD2 3.78Å; Y304-S306 WeakPolarHBondContact CE2-O 3.39Å; Y304-S306 VanDerWaalsContact OH-C 3.29Å; Y304-S306 WeakPolarHBondContact OH-CA 2.83Å; Y304-T307 WeakPolarHBondContact CE2-OG1 3.13Å; Y304-T307 PolarHBondContact OH-N 3.07Å; Y304-T307 PolarHBondContact OH-OG1 3.41Å |
| 305 | L | 95.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -67.4 | 175.8 | -66.3 | 176.5 | 0 | 0 | 0 | 111 | F11 M279 Y292 E294 H303 | F11-L305 HydrophobicContact CB-CD1 3.89Å; M279-L305 HydrophobicContact CE-CD1 3.39Å; M279-L305 HydrophobicContact SD-CD1 4.12Å; Y292-L305 HydrophobicContact CD2-CB 3.82Å; Y292-L305 HydrophobicContact CD2-CD1 4.15Å; Y292-L305 HydrophobicContact CE2-CB 4.1Å; Y292-L305 PolarHBondContact O-N 3.31Å; E294-L305 HydrophobicContact CB-CD1 4.09Å; E294-L305 HydrophobicContact CB-CD2 4.19Å; E294-L305 HydrophobicContact CB-CG 4.16Å; H303-L305 PolarHBondContact O-N 3.13Å |
| 306 | S | 95.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 179.6 | -176.3 | -175 | 0 | 0 | 0 | 0 | 110.3 | Y292 Y304 | Y292-S306 WeakPolarHBondContact CE1-O 3.22Å; Y292-S306 PolarHBondContact N-O 2.74Å; Y292-S306 VanDerWaalsContact N-O 3.15Å; Y292-S306 VanDerWaalsContact OH-CB 3.28Å; Y292-S306 WeakPolarHBondContact OH-CB 3.45Å; Y292-S306 PolarHBondContact OH-OG 3.32Å; Y304-S306 WeakPolarHBondContact CE2-O 3.39Å; Y304-S306 VanDerWaalsContact OH-C 3.29Å; Y304-S306 WeakPolarHBondContact OH-CA 2.83Å |
| 307 | T | 96.5 | Very high | 94 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.5 | 179.5 | -63 | 0 | 0 | 0 | 0 | 109.1 | I290 R291 Y304 | I290-T307 CarbonylContact O-C 3.6Å; I290-T307 WeakPolarHBondContact O-CA 3.5Å; R291-T307 HydrophobicContact CG-CG2 4.03Å; Y304-T307 WeakPolarHBondContact CE2-OG1 3.13Å; Y304-T307 PolarHBondContact OH-N 3.07Å; Y304-T307 PolarHBondContact OH-OG1 3.41Å |
| 308 | F | 97.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.1 | 163.2 | 171 | -94.8 | 0 | 0 | 0 | 108.3 | G16 A18 S289 I290 Y292 I346 | G16-F308 WeakPolarHBondContact O-CD2 3.37Å; A18-F308 HydrophobicContact CB-CZ 4.28Å; S289-F308 CarbonylContact C-O 3.57Å; S289-F308 WeakPolarHBondContact CA-O 3.42Å; S289-F308 WeakPolarHBondContact CB-O 3.49Å; I290-F308 HydrophobicContact CB-CB 4.34Å; I290-F308 HydrophobicContact CD1-CD1 3.97Å; I290-F308 HydrophobicContact CG1-CD1 4.33Å; I290-F308 PolarHBondContact N-O 3.13Å; I290-F308 PolarHBondContact O-N 2.81Å; Y292-F308 HydrophobicContact CE1-CB 4.38Å; F308-I346 HydrophobicContact CD1-CD1 4.04Å; F308-I346 HydrophobicContact CD1-CG2 4.29Å; F308-I346 HydrophobicContact CD2-CG2 4.25Å; F308-I346 HydrophobicContact CE1-CD1 3.47Å; F308-I346 VanDerWaalsContact CE1-CD1 3.47Å; F308-I346 HydrophobicContact CE1-CG1 4.13Å; F308-I346 HydrophobicContact CE1-CG2 4.22Å; F308-I346 HydrophobicContact CE2-CG2 4.16Å; F308-I346 HydrophobicContact CG-CG2 4.31Å; F308-I346 HydrophobicContact CZ-CD1 4.03Å; F308-I346 HydrophobicContact CZ-CG1 4.18Å; F308-I346 HydrophobicContact CZ-CG2 4.14Å |
| 309 | S | 95.4 | Very high | 94.8 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.6 | -178.1 | -65 | 0 | 0 | 0 | 0 | 110.6 | ||
| 310 | S | 94.4 | Very high | 95.2 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | trans | -137.3 | 171.3 | 177.1 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | S288 E312 K337 | S288-S310 WeakPolarHBondContact CB-O 3.49Å; S288-S310 PolarHBondContact O-N 3.25Å; S288-S310 PolarHBondContact O-OG 3.03Å; S288-S310 PolarHBondContact OG-O 2.53Å; S310-E312 PolarHBondContact OG-O 3.24Å; S310-K337 PolarHBondContact OG-NZ 3Å | ||
| 311 | K | 92.4 | Very high | 95.5 | Very high | 210 Ų | 210 | 49.5 Ų | 49.5 | 91% | 0.913 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -85.2 | -28.4 | -177.7 | -64.3 | -178.6 | -178.5 | 178.1 | 0 | 113.4 | ||
| 312 | E | 93.3 | Very high | 95.6 | Very high | 89 Ų | 89 | 47 Ų | 47 | 42% | 0.416 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -100.6 | 135.5 | -172 | -64.8 | 180 | 96.1 | 0 | 0 | 111 | S310 K337 L339 K342 | S310-E312 PolarHBondContact OG-O 3.24Å; E312-K337 WeakPolarHBondContact O-CE 3.43Å; E312-K337 PolarHBondContact O-NZ 3.31Å; E312-L339 HydrophobicContact CB-CD1 4.24Å; E312-L339 HydrophobicContact CB-CD2 3.7Å; E312-K342 IonicContact OE1-NZ 3.89Å; E312-K342 WeakPolarHBondContact OE2-CE 3.5Å; E312-K342 IonicContact OE2-NZ 2.77Å; E312-K342 PolarHBondContact OE2-NZ 3.21Å |
| 313 | P | 94.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -72.4 | 140.9 | 177.6 | 30.4 | -34.6 | 0 | 0 | 0 | 111.3 | G286 D287 L339 | G286-P313 VanDerWaalsContact O-CB 3.27Å; G286-P313 WeakPolarHBondContact O-CB 3.48Å; D287-P313 CarbonylContact O-C 3.57Å; D287-P313 WeakPolarHBondContact O-CA 3.23Å; P313-L339 VanDerWaalsContact O-CD2 3.23Å; P313-L339 WeakPolarHBondContact O-CD2 3.3Å |
| 314 | Q | 95.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 140.5 | 177.5 | 70.8 | -173.8 | 56.9 | 0 | 0 | 112 | C283 G284 G286 D287 M317 K337 L338 | C283-Q314 PolarHBondContact SG-NE2 2.81Å; G284-Q314 WeakPolarHBondContact O-CG 3.2Å; G284-Q314 PolarHBondContact O-NE2 3.07Å; G286-Q314 PolarHBondContact N-O 2.76Å; D287-Q314 WeakPolarHBondContact O-CG 3.46Å; D287-Q314 PolarHBondContact O-N 3.44Å; Q314-M317 HydrophobicContact CB-CE 4.47Å; Q314-K337 HydrophobicContact CB-CD 4.44Å; Q314-K337 HydrophobicContact CB-CG 3.96Å; Q314-L338 CarbonylContact C-O 3.54Å; Q314-L338 WeakPolarHBondContact CA-O 3.45Å |
| 315 | R | 95.2 | Very high | 95.4 | Very high | 110 Ų | 110 | 41.7 Ų | 41.7 | 42% | 0.415 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -93.7 | -21.3 | 170.8 | -71.5 | -69.8 | -163.5 | 179.6 | 2.1 | 112.8 | V30 K285 L338 D340 | V30-R315 HydrophobicContact CG1-CB 4.23Å; K285-R315 VanDerWaalsContact CD-O 3.25Å; K285-R315 WeakPolarHBondContact CD-O 3.26Å; K285-R315 WeakPolarHBondContact CE-O 3.28Å; K285-R315 WeakPolarHBondContact CG-O 3.43Å; R315-L338 HydrophobicContact CB-CB 4.4Å; R315-L338 PolarHBondContact N-O 3.34Å; R315-D340 IonicContact CZ-OD1 3.23Å; R315-D340 IonicContact NE-OD1 2.62Å; R315-D340 PolarHBondContact NE-OD1 2.64Å; R315-D340 IonicContact NH2-OD1 2.71Å; R315-D340 PolarHBondContact NH2-OD1 2.83Å |
| 316 | G | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 173.1 | -175 | 0 | 0 | 0 | 0 | 0 | 109.6 | S38 L338 | S38-G316 CarbonylContact O-C 3.55Å; S38-G316 WeakPolarHBondContact O-CA 3.49Å; G316-L338 PolarHBondContact O-N 3.23Å |
| 317 | M | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 127.5 | -175.5 | -169.6 | 66.3 | 67.4 | 0 | 0 | 109.7 | S38 Y272 C283 I290 Q314 L335 Y336 K337 | S38-M317 VanDerWaalsContact CB-O 3.28Å; S38-M317 WeakPolarHBondContact CB-O 3.47Å; S38-M317 PolarHBondContact O-N 3.35Å; Y272-M317 HydrophobicContact CE2-CB 4.25Å; Y272-M317 HydrophobicContact CE2-CG 4.23Å; Y272-M317 PolarHBondContact OH-O 3.32Å; C283-M317 HydrophobicContact CB-CE 4.2Å; I290-M317 HydrophobicContact CD1-CE 3.79Å; I290-M317 HydrophobicContact CD1-SD 4.46Å; I290-M317 HydrophobicContact CG1-CE 4.02Å; Q314-M317 HydrophobicContact CB-CE 4.47Å; M317-L335 HydrophobicContact CG-CB 4.38Å; M317-L335 HydrophobicContact CG-CD2 3.97Å; M317-L335 HydrophobicContact SD-CB 3.7Å; M317-L335 HydrophobicContact SD-CD2 4.09Å; M317-Y336 CarbonylContact C-O 3.49Å; M317-Y336 WeakPolarHBondContact CA-O 3.45Å; M317-K337 HydrophobicContact CE-CB 3.87Å; M317-K337 HydrophobicContact CE-CD 4.5Å; M317-K337 HydrophobicContact CE-CG 3.84Å; M317-K337 VanDerWaalsContact SD-CA 3.52Å; M317-K337 HydrophobicContact SD-CB 3.87Å; M317-K337 HydrophobicContact SD-CG 4.46Å |
| 318 | G | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 155.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L335 Y336 | G318-L335 CarbonylContact O-C 3.58Å; G318-L335 VanDerWaalsContact O-CA 3.3Å; G318-L335 WeakPolarHBondContact O-CA 3.4Å; G318-Y336 PolarHBondContact N-O 2.82Å; G318-Y336 PolarHBondContact O-N 3.5Å |
| 319 | F | 97.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 121.7 | 175.7 | -171.6 | -96.5 | 0 | 0 | 0 | 109.8 | V42 Y272 D274 Y281 P321 A333 L335 | V42-F319 VanDerWaalsContact CG1-C 3.42Å; V42-F319 WeakPolarHBondContact CG1-O 3.48Å; Y272-F319 HydrophobicContact CD1-CB 3.34Å; Y272-F319 HydrophobicContact CD1-CD2 4.2Å; Y272-F319 AromaticContact CD1-CG 3.83Å; Y272-F319 HydrophobicContact CD1-CG 3.83Å; Y272-F319 HydrophobicContact CE1-CB 3.8Å; Y272-F319 HydrophobicContact CG-CB 4.06Å; Y272-F319 HydrophobicContact CG-CD2 4.08Å; Y272-F319 HydrophobicContact CG-CG 4.18Å; D274-F319 HydrophobicContact CB-CZ 4.49Å; Y281-F319 AromaticContact CD2-CE2 3.72Å; Y281-F319 HydrophobicContact CD2-CE2 3.72Å; Y281-F319 HydrophobicContact CD2-CZ 4.2Å; Y281-F319 HydrophobicContact CE2-CE2 4.01Å; Y281-F319 HydrophobicContact CE2-CZ 4.21Å; Y281-F319 HydrophobicContact CG-CE2 4.42Å; F319-P321 WeakPolarHBondContact O-CD 3.41Å; F319-A333 HydrophobicContact CE2-CB 3.9Å; F319-A333 HydrophobicContact CZ-CB 3.99Å; F319-L335 HydrophobicContact CD2-CD2 4.12Å; F319-L335 HydrophobicContact CD2-CG 3.92Å; F319-L335 HydrophobicContact CE2-CG 4.35Å |
| 320 | M | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -71.7 | 126.7 | -177.9 | -178.9 | 57.2 | 77.7 | 0 | 0 | 111 | V42 L64 V325 R334 Y336 | V42-M320 HydrophobicContact CG1-CB 4.4Å; V42-M320 HydrophobicContact CG2-CE 3.41Å; V42-M320 VanDerWaalsContact CG2-CE 3.41Å; V42-M320 HydrophobicContact CG2-SD 4.2Å; L64-M320 HydrophobicContact CD1-CE 3.68Å; L64-M320 HydrophobicContact CD2-CE 4.38Å; M320-V325 HydrophobicContact CG-CG1 4.35Å; M320-R334 HydrophobicContact CB-CB 3.8Å; M320-R334 VanDerWaalsContact CB-O 3.23Å; M320-R334 WeakPolarHBondContact CB-O 3.43Å; M320-R334 HydrophobicContact CG-CB 4.35Å; M320-R334 PolarHBondContact N-O 2.85Å; M320-Y336 HydrophobicContact CB-CE2 4.27Å; M320-Y336 HydrophobicContact CE-CE2 3.68Å; M320-Y336 VanDerWaalsContact CE-OH 3.28Å; M320-Y336 WeakPolarHBondContact CE-OH 3.44Å | ||
| 321 | P | 96 | Very high | 94.4 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 31% | 0.305 | 23% | 0.231 | S | C | . | . | trans | -58 | 152.6 | 168.6 | -24.8 | 34.3 | 0 | 0 | 0 | 111.6 | V42 F319 R323 G324 | V42-P321 WeakPolarHBondContact O-CD 3.5Å; F319-P321 WeakPolarHBondContact O-CD 3.41Å; P321-R323 PolarHBondContact O-N 2.97Å; P321-G324 PolarHBondContact O-N 3.04Å | ||
| 322 | K | 93.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 36.3 Ų | 36.3 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -52.5 | -36.5 | -177.3 | -75.2 | -76.9 | -178.9 | -178.3 | 0 | 114.2 | D274 D276 G324 V325 I332 T365 M390 | D274-K322 WeakPolarHBondContact OD1-CE 3.1Å; D274-K322 IonicContact OD1-NZ 3.34Å; D274-K322 PolarHBondContact OD1-NZ 2.9Å; D274-K322 VanDerWaalsContact OD2-CE 3.22Å; D274-K322 WeakPolarHBondContact OD2-CE 3.37Å; D274-K322 IonicContact OD2-NZ 2.78Å; D274-K322 PolarHBondContact OD2-NZ 3Å; D276-K322 WeakPolarHBondContact OD2-CD 3.48Å; D276-K322 WeakPolarHBondContact OD2-CE 3.21Å; D276-K322 VanDerWaalsContact OD2-CG 3.27Å; D276-K322 WeakPolarHBondContact OD2-CG 3.42Å; K322-G324 PolarHBondContact O-N 3.06Å; K322-V325 VanDerWaalsContact O-CG2 3.29Å; K322-V325 WeakPolarHBondContact O-CG2 3.49Å; K322-V325 PolarHBondContact O-N 3.21Å; K322-I332 PolarHBondContact NZ-O 3.09Å; K322-T365 HydrophobicContact CB-CG2 4.01Å; K322-T365 WeakPolarHBondContact CB-OG1 3.34Å; K322-M390 WeakPolarHBondContact O-CE 3.36Å |
| 323 | R | 94.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 32.1 Ų | 32.1 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -57.8 | -21.3 | 176.8 | -64.1 | -173.2 | -70.2 | 105.9 | -2.7 | 114.6 | P44 P91 D94 P321 I388 Y394 | P44-R323 HydrophobicContact CG-CB 3.78Å; P91-R323 PolarHBondContact O-NH2 2.93Å; D94-R323 VanDerWaalsContact CG-NH1 3.35Å; D94-R323 IonicContact OD1-CZ 3.33Å; D94-R323 IonicContact OD1-NH1 3.2Å; D94-R323 PolarHBondContact OD1-NH1 2.88Å; D94-R323 IonicContact OD1-NH2 2.88Å; D94-R323 PolarHBondContact OD1-NH2 2.82Å; D94-R323 IonicContact OD2-CZ 2.94Å; D94-R323 IonicContact OD2-NH1 3.3Å; D94-R323 PolarHBondContact OD2-NH1 3.06Å; D94-R323 IonicContact OD2-NH2 3.93Å; P321-R323 PolarHBondContact O-N 2.97Å; R323-I388 HydrophobicContact CG-CD1 4.12Å; R323-Y394 HydrophobicContact CB-CD2 4.24Å |
| 324 | G | 93.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -105.3 | 3.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P321 K322 R334 | P321-G324 PolarHBondContact O-N 3.04Å; K322-G324 PolarHBondContact O-N 3.06Å; G324-R334 PolarHBondContact O-NH1 3.35Å |
| 325 | V | 93.9 | Very high | 95 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -81.5 | 149.3 | 176.5 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | M320 K322 V327 E331 Y362 | M320-V325 HydrophobicContact CG-CG1 4.35Å; K322-V325 VanDerWaalsContact O-CG2 3.29Å; K322-V325 WeakPolarHBondContact O-CG2 3.49Å; K322-V325 PolarHBondContact O-N 3.21Å; V325-V327 HydrophobicContact CG2-CG1 4.35Å; V325-V327 PolarHBondContact O-N 3.19Å; V325-E331 WeakPolarHBondContact CA-OE2 3.31Å; V325-E331 HydrophobicContact CB-CG 4.45Å; V325-E331 WeakPolarHBondContact CG2-O 3.33Å; V325-Y362 HydrophobicContact CG2-CE1 4.14Å |
| 326 | D | 92.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 25.5 Ų | 25.5 | 20% | 0.198 | 13% | 0.134 | C | C | . | . | trans | -85.8 | 92.3 | 178.4 | -171 | -11.4 | 0 | 0 | 0 | 111 | T328 K329 E331 | D326-T328 PolarHBondContact O-N 3.11Å; D326-T328 WeakPolarHBondContact OD1-CB 3.11Å; D326-T328 PolarHBondContact OD1-N 2.89Å; D326-T328 VanDerWaalsContact OD1-N 3.13Å; D326-T328 PolarHBondContact OD1-OG1 2.89Å; D326-K329 PolarHBondContact O-N 3.22Å; D326-K329 WeakPolarHBondContact OD2-CD 3.47Å; D326-K329 WeakPolarHBondContact OD2-CE 3.28Å; D326-K329 WeakPolarHBondContact OD2-CG 3.42Å; D326-K329 IonicContact OD2-NZ 2.89Å; D326-K329 PolarHBondContact OD2-NZ 2.86Å; D326-E331 HydrophobicContact CB-CB 4.39Å; D326-E331 PolarHBondContact N-OE2 2.91Å; D326-E331 WeakPolarHBondContact O-CB 3.48Å; D326-E331 PolarHBondContact O-N 3.25Å | ||
| 327 | V | 92 | Very high | 95.2 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -60.9 | -27.2 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 113.2 | V325 K329 C330 F357 Y362 M390 | V325-V327 HydrophobicContact CG2-CG1 4.35Å; V325-V327 PolarHBondContact O-N 3.19Å; V327-K329 VanDerWaalsContact C-N 3.28Å; V327-K329 PolarHBondContact O-N 2.98Å; V327-C330 PolarHBondContact O-N 3.36Å; V327-F357 HydrophobicContact CB-CE2 4.16Å; V327-F357 HydrophobicContact CG1-CE2 4.36Å; V327-F357 HydrophobicContact CG2-CE2 4.35Å; V327-Y362 HydrophobicContact CB-CD2 4.36Å; V327-Y362 HydrophobicContact CB-CE2 4.03Å; V327-Y362 HydrophobicContact CG1-CD1 4.1Å; V327-Y362 HydrophobicContact CG1-CD2 4.34Å; V327-Y362 HydrophobicContact CG1-CE1 3.99Å; V327-Y362 HydrophobicContact CG1-CE2 4.24Å; V327-Y362 HydrophobicContact CG1-CG 4.27Å; V327-M390 HydrophobicContact CG1-CB 4.17Å; V327-M390 HydrophobicContact CG1-CE 4.01Å |
| 328 | T | 90.6 | Very high | 95.2 | Very high | 110 Ų | 110 | 25.6 Ų | 25.6 | 68% | 0.675 | 13% | 0.134 | S | C | * | . | G | 310 helix | trans | -70.6 | -28.2 | -178.6 | 70.7 | 0 | 0 | 0 | 0 | 112 | D326 | D326-T328 PolarHBondContact O-N 3.11Å; D326-T328 WeakPolarHBondContact OD1-CB 3.11Å; D326-T328 PolarHBondContact OD1-N 2.89Å; D326-T328 VanDerWaalsContact OD1-N 3.13Å; D326-T328 PolarHBondContact OD1-OG1 2.89Å |
| 329 | K | 91.1 | Very high | 95.1 | Very high | 139 Ų | 139 | 25.7 Ų | 25.7 | 60% | 0.604 | 13% | 0.134 | S | C | * | . | G | 310 helix | trans | -95.2 | 7.7 | 179 | -63.3 | -167.1 | -173.5 | 100.9 | 0 | 113.6 | D326 V327 E331 T349 | D326-K329 PolarHBondContact O-N 3.22Å; D326-K329 WeakPolarHBondContact OD2-CD 3.47Å; D326-K329 WeakPolarHBondContact OD2-CE 3.28Å; D326-K329 WeakPolarHBondContact OD2-CG 3.42Å; D326-K329 IonicContact OD2-NZ 2.89Å; D326-K329 PolarHBondContact OD2-NZ 2.86Å; V327-K329 VanDerWaalsContact C-N 3.28Å; V327-K329 PolarHBondContact O-N 2.98Å; K329-E331 PolarHBondContact O-N 2.82Å; K329-T349 VanDerWaalsContact O-CG2 3.31Å; K329-T349 WeakPolarHBondContact O-CG2 3.29Å |
| 330 | C | 93.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 33.2 | -171.9 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | V327 V350 L361 Y362 | V327-C330 PolarHBondContact O-N 3.36Å; C330-V350 WeakPolarHBondContact CB-O 3.45Å; C330-V350 PolarHBondContact O-N 2.8Å; C330-L361 HydrophobicContact CB-CD1 4.31Å; C330-Y362 WeakPolarHBondContact CA-OH 3.36Å |
| 331 | E | 94.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 121.4 | 172 | -175 | -173.5 | -129.9 | 0 | 0 | 109.6 | V325 D326 K329 A333 R334 T347 M348 Y362 | V325-E331 WeakPolarHBondContact CA-OE2 3.31Å; V325-E331 HydrophobicContact CB-CG 4.45Å; V325-E331 WeakPolarHBondContact CG2-O 3.33Å; D326-E331 HydrophobicContact CB-CB 4.39Å; D326-E331 PolarHBondContact N-OE2 2.91Å; D326-E331 WeakPolarHBondContact O-CB 3.48Å; D326-E331 PolarHBondContact O-N 3.25Å; K329-E331 PolarHBondContact O-N 2.82Å; E331-A333 WeakPolarHBondContact CG-O 3.47Å; E331-R334 WeakPolarHBondContact OE1-CB 3.26Å; E331-R334 IonicContact OE1-CZ 2.78Å; E331-R334 IonicContact OE1-NE 3.98Å; E331-R334 PolarHBondContact OE1-NE 2.84Å; E331-R334 IonicContact OE1-NH2 3.86Å; E331-R334 PolarHBondContact OE1-NH2 2.77Å; E331-R334 IonicContact OE2-CZ 2.69Å; E331-R334 VanDerWaalsContact OE2-CZ 3.3Å; E331-R334 IonicContact OE2-NE 3.38Å; E331-R334 PolarHBondContact OE2-NE 3.29Å; E331-R334 IonicContact OE2-NH2 3.08Å; E331-R334 PolarHBondContact OE2-NH2 2.95Å; E331-T347 VanDerWaalsContact OE1-CB 3.29Å; E331-T347 WeakPolarHBondContact OE1-CB 3.18Å; E331-T347 WeakPolarHBondContact OE1-CG2 3.13Å; E331-M348 WeakPolarHBondContact CA-O 3.38Å; E331-Y362 VanDerWaalsContact C-OH 3.24Å; E331-Y362 PolarHBondContact N-OH 2.93Å; E331-Y362 VanDerWaalsContact N-OH 3.07Å; E331-Y362 WeakPolarHBondContact O-CE1 3.46Å; E331-Y362 PolarHBondContact O-OH 3.19Å |
| 332 | I | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -27.3 | -179.8 | 54.8 | 164.5 | 0 | 0 | 0 | 112.7 | F11 V14 M279 Y281 K322 M348 V350 | F11-I332 HydrophobicContact CD1-CD1 4.14Å; F11-I332 HydrophobicContact CE1-CD1 4.34Å; V14-I332 HydrophobicContact CG1-CD1 4.06Å; V14-I332 HydrophobicContact CG2-CD1 3.65Å; M279-I332 HydrophobicContact CE-CD1 4.13Å; M279-I332 HydrophobicContact SD-CD1 3.59Å; M279-I332 VanDerWaalsContact SD-CD1 3.59Å; Y281-I332 WeakPolarHBondContact OH-CD1 3.36Å; K322-I332 PolarHBondContact NZ-O 3.09Å; I332-M348 HydrophobicContact CG1-CB 4.27Å; I332-M348 VanDerWaalsContact CG1-O 3.28Å; I332-M348 WeakPolarHBondContact CG1-O 3.31Å; I332-M348 PolarHBondContact N-O 3.17Å; I332-V350 HydrophobicContact CD1-CG2 3.93Å; I332-V350 HydrophobicContact CG1-CG2 4.21Å; I332-V350 HydrophobicContact CG2-CG2 3.58Å |
| 333 | A | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 151.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y281 F319 E331 M348 | Y281-A333 HydrophobicContact CE1-CB 4.45Å; Y281-A333 HydrophobicContact CE2-CB 3.88Å; Y281-A333 WeakPolarHBondContact OH-CB 3.37Å; F319-A333 HydrophobicContact CE2-CB 3.9Å; F319-A333 HydrophobicContact CZ-CB 3.99Å; E331-A333 WeakPolarHBondContact CG-O 3.47Å; A333-M348 HydrophobicContact CB-CB 4.08Å; A333-M348 HydrophobicContact CB-CG 4.21Å; A333-M348 WeakPolarHBondContact O-CB 3.26Å; A333-M348 PolarHBondContact O-N 2.85Å |
| 334 | R | 97.6 | Very high | 94.7 | Very high | 43 Ų | 43 | 33.4 Ų | 33.4 | 16% | 0.162 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121 | 171.9 | -167.9 | -177 | -62.2 | 151.2 | 2.9 | 109.4 | M320 G324 E331 Y336 I346 T347 | M320-R334 HydrophobicContact CB-CB 3.8Å; M320-R334 VanDerWaalsContact CB-O 3.23Å; M320-R334 WeakPolarHBondContact CB-O 3.43Å; M320-R334 HydrophobicContact CG-CB 4.35Å; M320-R334 PolarHBondContact N-O 2.85Å; G324-R334 PolarHBondContact O-NH1 3.35Å; E331-R334 WeakPolarHBondContact OE1-CB 3.26Å; E331-R334 IonicContact OE1-CZ 2.78Å; E331-R334 IonicContact OE1-NE 3.98Å; E331-R334 PolarHBondContact OE1-NE 2.84Å; E331-R334 IonicContact OE1-NH2 3.86Å; E331-R334 PolarHBondContact OE1-NH2 2.77Å; E331-R334 IonicContact OE2-CZ 2.69Å; E331-R334 VanDerWaalsContact OE2-CZ 3.3Å; E331-R334 IonicContact OE2-NE 3.38Å; E331-R334 PolarHBondContact OE2-NE 3.29Å; E331-R334 IonicContact OE2-NH2 3.08Å; E331-R334 PolarHBondContact OE2-NH2 2.95Å; R334-Y336 HydrophobicContact CB-CE2 4.42Å; R334-Y336 HydrophobicContact CG-CD2 4.43Å; R334-Y336 HydrophobicContact CG-CE2 3.81Å; R334-I346 CarbonylContact C-O 3.45Å; R334-I346 WeakPolarHBondContact CA-O 3.49Å; R334-T347 HydrophobicContact CG-CG2 4.39Å |
| 335 | L | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.2 | 177.7 | -63.8 | 97.6 | 0 | 0 | 0 | 110.1 | Y281 I290 M317 G318 F319 P345 I346 M348 | Y281-L335 HydrophobicContact CD1-CD1 4.28Å; I290-L335 HydrophobicContact CD1-CD2 4.29Å; I290-L335 HydrophobicContact CG2-CD2 4.25Å; M317-L335 HydrophobicContact CG-CB 4.38Å; M317-L335 HydrophobicContact CG-CD2 3.97Å; M317-L335 HydrophobicContact SD-CB 3.7Å; M317-L335 HydrophobicContact SD-CD2 4.09Å; G318-L335 CarbonylContact O-C 3.58Å; G318-L335 VanDerWaalsContact O-CA 3.3Å; G318-L335 WeakPolarHBondContact O-CA 3.4Å; F319-L335 HydrophobicContact CD2-CD2 4.12Å; F319-L335 HydrophobicContact CD2-CG 3.92Å; F319-L335 HydrophobicContact CE2-CG 4.35Å; L335-P345 CarbonylContact O-C 3.54Å; L335-P345 WeakPolarHBondContact O-CA 3.12Å; L335-I346 PolarHBondContact N-O 2.84Å; L335-I346 PolarHBondContact O-N 3.48Å; L335-M348 HydrophobicContact CD1-CG 3.55Å; L335-M348 HydrophobicContact CD1-SD 4.2Å |
| 336 | Y | 97.8 | Very high | 95 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 88.3 | -179.2 | -78.4 | -107.9 | 0 | 0 | 0 | 108.9 | Y25 V42 L47 L64 M317 G318 M320 R334 L338 P345 | Y25-Y336 HydrophobicContact CE2-CD1 4.28Å; Y25-Y336 AromaticContact CE2-CE1 3.93Å; Y25-Y336 HydrophobicContact CE2-CE1 3.93Å; V42-Y336 HydrophobicContact CB-CD2 4.25Å; V42-Y336 HydrophobicContact CB-CE2 4.45Å; V42-Y336 HydrophobicContact CB-CG 4.49Å; V42-Y336 HydrophobicContact CG1-CD2 3.79Å; V42-Y336 HydrophobicContact CG1-CE2 4.16Å; V42-Y336 HydrophobicContact CG1-CG 4.36Å; V42-Y336 HydrophobicContact CG2-CD2 4.07Å; V42-Y336 HydrophobicContact CG2-CE1 4.23Å; V42-Y336 HydrophobicContact CG2-CE2 3.8Å; V42-Y336 HydrophobicContact CG2-CG 4.44Å; L47-Y336 HydrophobicContact CD1-CD1 3.72Å; L47-Y336 HydrophobicContact CD1-CE1 4.37Å; L47-Y336 HydrophobicContact CD1-CG 4.21Å; L47-Y336 HydrophobicContact CD2-CD1 4.18Å; L47-Y336 HydrophobicContact CG-CD1 4.46Å; L64-Y336 HydrophobicContact CD2-CE1 4.1Å; M317-Y336 CarbonylContact C-O 3.49Å; M317-Y336 WeakPolarHBondContact CA-O 3.45Å; G318-Y336 PolarHBondContact N-O 2.82Å; G318-Y336 PolarHBondContact O-N 3.5Å; M320-Y336 HydrophobicContact CB-CE2 4.27Å; M320-Y336 HydrophobicContact CE-CE2 3.68Å; M320-Y336 VanDerWaalsContact CE-OH 3.28Å; M320-Y336 WeakPolarHBondContact CE-OH 3.44Å; R334-Y336 HydrophobicContact CB-CE2 4.42Å; R334-Y336 HydrophobicContact CG-CD2 4.43Å; R334-Y336 HydrophobicContact CG-CE2 3.81Å; Y336-L338 PolarHBondContact O-N 2.93Å; Y336-P345 HydrophobicContact CD1-CG 4.09Å; Y336-P345 HydrophobicContact CE1-CB 4.38Å; Y336-P345 HydrophobicContact CE1-CG 3.91Å |
| 337 | K | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 118.2 | -173.9 | -177.5 | -178.2 | 176.8 | -154.2 | 0 | 110.6 | S310 E312 Q314 M317 L339 C343 E344 I346 | S310-K337 PolarHBondContact OG-NZ 3Å; E312-K337 WeakPolarHBondContact O-CE 3.43Å; E312-K337 PolarHBondContact O-NZ 3.31Å; Q314-K337 HydrophobicContact CB-CD 4.44Å; Q314-K337 HydrophobicContact CB-CG 3.96Å; M317-K337 HydrophobicContact CE-CB 3.87Å; M317-K337 HydrophobicContact CE-CD 4.5Å; M317-K337 HydrophobicContact CE-CG 3.84Å; M317-K337 VanDerWaalsContact SD-CA 3.52Å; M317-K337 HydrophobicContact SD-CB 3.87Å; M317-K337 HydrophobicContact SD-CG 4.46Å; K337-L339 HydrophobicContact CD-CD2 4.32Å; K337-L339 HydrophobicContact CG-CD2 4.4Å; K337-C343 CarbonylContact O-C 3.55Å; K337-C343 WeakPolarHBondContact O-CA 3.07Å; K337-E344 WeakPolarHBondContact CB-O 3.42Å; K337-E344 PolarHBondContact N-O 2.98Å; K337-E344 PolarHBondContact O-N 3.1Å; K337-I346 HydrophobicContact CB-CD1 3.72Å; K337-I346 HydrophobicContact CB-CG1 4.48Å; K337-I346 HydrophobicContact CD-CD1 3.8Å; K337-I346 HydrophobicContact CG-CD1 4.37Å |
| 338 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 131.3 | 172.2 | -60.4 | -175.4 | 0 | 0 | 0 | 110.3 | V30 F39 C40 V49 Q314 R315 G316 Y336 C343 | V30-L338 HydrophobicContact CG1-CB 4.4Å; V30-L338 HydrophobicContact CG1-CD1 4Å; V30-L338 HydrophobicContact CG2-CB 4.44Å; V30-L338 HydrophobicContact CG2-CD2 4.46Å; F39-L338 HydrophobicContact CB-CD1 3.92Å; F39-L338 WeakPolarHBondContact O-CD1 3.42Å; C40-L338 HydrophobicContact CB-CD1 3.61Å; C40-L338 HydrophobicContact CB-CD2 4.33Å; C40-L338 HydrophobicContact CB-CG 3.86Å; V49-L338 HydrophobicContact CG1-CD1 3.84Å; V49-L338 HydrophobicContact CG1-CD2 3.91Å; V49-L338 HydrophobicContact CG2-CD2 3.87Å; Q314-L338 CarbonylContact C-O 3.54Å; Q314-L338 WeakPolarHBondContact CA-O 3.45Å; R315-L338 HydrophobicContact CB-CB 4.4Å; R315-L338 PolarHBondContact N-O 3.34Å; G316-L338 PolarHBondContact O-N 3.23Å; Y336-L338 PolarHBondContact O-N 2.93Å; L338-C343 HydrophobicContact CD2-CB 3.73Å |
| 339 | L | 95 | Very high | 95.8 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | trans | -113.5 | -175.1 | 169.7 | -61.1 | 174.4 | 0 | 0 | 0 | 108 | V30 E312 P313 K337 K341 K342 | V30-L339 VanDerWaalsContact CG2-O 3.31Å; V30-L339 WeakPolarHBondContact CG2-O 3.48Å; E312-L339 HydrophobicContact CB-CD1 4.24Å; E312-L339 HydrophobicContact CB-CD2 3.7Å; P313-L339 VanDerWaalsContact O-CD2 3.23Å; P313-L339 WeakPolarHBondContact O-CD2 3.3Å; K337-L339 HydrophobicContact CD-CD2 4.32Å; K337-L339 HydrophobicContact CG-CD2 4.4Å; L339-K341 VanDerWaalsContact C-N 3.27Å; L339-K341 PolarHBondContact O-N 3.17Å; L339-K342 HydrophobicContact CB-CG 3.72Å; L339-K342 HydrophobicContact CD1-CD 3.8Å; L339-K342 HydrophobicContact CD1-CG 3.74Å; L339-K342 HydrophobicContact CG-CG 4.21Å; L339-K342 PolarHBondContact N-O 3.08Å | ||
| 340 | D | 91.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 20 Ų | 20 | 36% | 0.358 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -62.6 | -34.4 | -174 | -157 | 66.9 | 0 | 0 | 0 | 113.2 | R315 | R315-D340 IonicContact CZ-OD1 3.23Å; R315-D340 IonicContact NE-OD1 2.62Å; R315-D340 PolarHBondContact NE-OD1 2.64Å; R315-D340 IonicContact NH2-OD1 2.71Å; R315-D340 PolarHBondContact NH2-OD1 2.83Å |
| 341 | K | 93.1 | Very high | 96.1 | Very high | 136 Ų | 136 | 23.1 Ų | 23.1 | 59% | 0.591 | 12% | 0.116 | S | C | * | . | S | Bend | trans | -134.1 | 7.3 | -176.3 | -64.8 | -174.5 | -177.7 | 176.1 | 0 | 115.4 | D27 I28 L339 | D27-K341 WeakPolarHBondContact CA-O 3.5Å; D27-K341 PolarHBondContact N-O 3.5Å; I28-K341 PolarHBondContact N-O 2.75Å; I28-K341 CarbonylContact O-C 3.49Å; I28-K341 WeakPolarHBondContact O-CA 3.2Å; L339-K341 VanDerWaalsContact C-N 3.27Å; L339-K341 PolarHBondContact O-N 3.17Å |
| 342 | K | 94.2 | Very high | 95.9 | Very high | 53 Ų | 53 | 27.2 Ų | 27.2 | 23% | 0.23 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 155.9 | -175.4 | 60.7 | 173.3 | 161.5 | 137 | 0 | 111.9 | Y25 D26 E312 L339 | Y25-K342 CarbonylContact O-C 3.57Å; Y25-K342 WeakPolarHBondContact O-CA 3.46Å; Y25-K342 WeakPolarHBondContact O-CB 3.31Å; D26-K342 WeakPolarHBondContact OD1-CB 3.49Å; E312-K342 IonicContact OE1-NZ 3.89Å; E312-K342 WeakPolarHBondContact OE2-CE 3.5Å; E312-K342 IonicContact OE2-NZ 2.77Å; E312-K342 PolarHBondContact OE2-NZ 3.21Å; L339-K342 HydrophobicContact CB-CG 3.72Å; L339-K342 HydrophobicContact CD1-CD 3.8Å; L339-K342 HydrophobicContact CD1-CG 3.74Å; L339-K342 HydrophobicContact CG-CG 4.21Å; L339-K342 PolarHBondContact N-O 3.08Å |
| 343 | C | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.2 | 166.6 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | Y25 I28 L47 K337 L338 | Y25-C343 HydrophobicContact CD2-CB 4.08Å; Y25-C343 HydrophobicContact CG-CB 4.49Å; Y25-C343 PolarHBondContact N-O 3.49Å; Y25-C343 PolarHBondContact O-N 3.31Å; I28-C343 HydrophobicContact CD1-CB 4.13Å; L47-C343 HydrophobicContact CD2-CB 4.2Å; K337-C343 CarbonylContact O-C 3.55Å; K337-C343 WeakPolarHBondContact O-CA 3.07Å; L338-C343 HydrophobicContact CD2-CB 3.73Å |
| 344 | E | 96 | Very high | 94.8 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 19% | 0.192 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 110.2 | -177.9 | -178.9 | 176.3 | -134.9 | 0 | 0 | 109.8 | A18 K337 | A18-E344 HydrophobicContact CB-CG 4.23Å; K337-E344 WeakPolarHBondContact CB-O 3.42Å; K337-E344 PolarHBondContact N-O 2.98Å; K337-E344 PolarHBondContact O-N 3.1Å |
| 345 | P | 97 | Very high | 94 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 134.5 | 170 | -22 | 31.9 | 0 | 0 | 0 | 112.1 | V19 Y25 L335 Y336 | V19-P345 HydrophobicContact CB-CB 4.5Å; V19-P345 HydrophobicContact CG1-CB 3.93Å; V19-P345 HydrophobicContact CG2-CB 3.76Å; V19-P345 HydrophobicContact CG2-CG 3.83Å; V19-P345 WeakPolarHBondContact CG2-O 3.26Å; V19-P345 PolarHBondContact N-O 2.9Å; Y25-P345 HydrophobicContact CD2-CG 4.48Å; Y25-P345 HydrophobicContact CE2-CG 3.98Å; L335-P345 CarbonylContact O-C 3.54Å; L335-P345 WeakPolarHBondContact O-CA 3.12Å; Y336-P345 HydrophobicContact CD1-CG 4.09Å; Y336-P345 HydrophobicContact CE1-CB 4.38Å; Y336-P345 HydrophobicContact CE1-CG 3.91Å |
| 346 | I | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 114 | 176.2 | -59.4 | 164.5 | 0 | 0 | 0 | 107.3 | I290 F308 R334 L335 K337 M348 | I290-I346 HydrophobicContact CD1-CD1 3.57Å; F308-I346 HydrophobicContact CD1-CD1 4.04Å; F308-I346 HydrophobicContact CD1-CG2 4.29Å; F308-I346 HydrophobicContact CD2-CG2 4.25Å; F308-I346 HydrophobicContact CE1-CD1 3.47Å; F308-I346 VanDerWaalsContact CE1-CD1 3.47Å; F308-I346 HydrophobicContact CE1-CG1 4.13Å; F308-I346 HydrophobicContact CE1-CG2 4.22Å; F308-I346 HydrophobicContact CE2-CG2 4.16Å; F308-I346 HydrophobicContact CG-CG2 4.31Å; F308-I346 HydrophobicContact CZ-CD1 4.03Å; F308-I346 HydrophobicContact CZ-CG1 4.18Å; F308-I346 HydrophobicContact CZ-CG2 4.14Å; R334-I346 CarbonylContact C-O 3.45Å; R334-I346 WeakPolarHBondContact CA-O 3.49Å; L335-I346 PolarHBondContact N-O 2.84Å; L335-I346 PolarHBondContact O-N 3.48Å; K337-I346 HydrophobicContact CB-CD1 3.72Å; K337-I346 HydrophobicContact CB-CG1 4.48Å; K337-I346 HydrophobicContact CD-CD1 3.8Å; K337-I346 HydrophobicContact CG-CD1 4.37Å; I346-M348 HydrophobicContact CG2-SD 4.17Å |
| 347 | T | 96.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.2 | 178.8 | 62.7 | 0 | 0 | 0 | 0 | 109.5 | G16 Q17 V19 E331 R334 | G16-T347 CarbonylContact C-O 3.56Å; G16-T347 VanDerWaalsContact CA-O 3.31Å; G16-T347 WeakPolarHBondContact CA-O 3.47Å; Q17-T347 PolarHBondContact N-O 2.76Å; Q17-T347 PolarHBondContact O-N 2.57Å; Q17-T347 PolarHBondContact O-OG1 3.44Å; V19-T347 HydrophobicContact CG1-CG2 3.92Å; E331-T347 VanDerWaalsContact OE1-CB 3.29Å; E331-T347 WeakPolarHBondContact OE1-CB 3.18Å; E331-T347 WeakPolarHBondContact OE1-CG2 3.13Å; R334-T347 HydrophobicContact CG-CG2 4.39Å |
| 348 | M | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 113.2 | 175.7 | -58.1 | -57.7 | -62.8 | 0 | 0 | 108.4 | V14 G16 Y281 Y292 E331 I332 A333 L335 I346 | V14-M348 HydrophobicContact CG1-CB 4.41Å; V14-M348 HydrophobicContact CG1-CE 3.87Å; G16-M348 WeakPolarHBondContact CA-SD 3.4Å; Y281-M348 HydrophobicContact CD1-CE 4.45Å; Y281-M348 HydrophobicContact CD1-CG 4.46Å; Y281-M348 HydrophobicContact CE1-CB 4.3Å; Y281-M348 HydrophobicContact CE1-CE 3.91Å; Y281-M348 HydrophobicContact CE1-CG 3.79Å; Y281-M348 HydrophobicContact CE1-SD 4.47Å; Y292-M348 HydrophobicContact CD1-CE 3.63Å; Y292-M348 HydrophobicContact CD2-CE 4.4Å; Y292-M348 HydrophobicContact CE1-CE 3.29Å; Y292-M348 HydrophobicContact CE2-CE 4.11Å; Y292-M348 HydrophobicContact CG-CE 4.19Å; E331-M348 WeakPolarHBondContact CA-O 3.38Å; I332-M348 HydrophobicContact CG1-CB 4.27Å; I332-M348 VanDerWaalsContact CG1-O 3.28Å; I332-M348 WeakPolarHBondContact CG1-O 3.31Å; I332-M348 PolarHBondContact N-O 3.17Å; A333-M348 HydrophobicContact CB-CB 4.08Å; A333-M348 HydrophobicContact CB-CG 4.21Å; A333-M348 WeakPolarHBondContact O-CB 3.26Å; A333-M348 PolarHBondContact O-N 2.85Å; L335-M348 HydrophobicContact CD1-CG 3.55Å; L335-M348 HydrophobicContact CD1-SD 4.2Å; I346-M348 HydrophobicContact CG2-SD 4.17Å |
| 349 | T | 96.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.135 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.8 | -167.5 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | V14 F15 K329 | V14-T349 WeakPolarHBondContact CA-O 3.46Å; F15-T349 HydrophobicContact CE1-CG2 4.39Å; F15-T349 HydrophobicContact CZ-CG2 4.33Å; F15-T349 PolarHBondContact N-O 3.42Å; F15-T349 PolarHBondContact O-N 2.69Å; K329-T349 VanDerWaalsContact O-CG2 3.31Å; K329-T349 WeakPolarHBondContact O-CG2 3.29Å |
| 350 | V | 96.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | trans | -89.7 | 117.4 | 167.4 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | F11 V14 C330 I332 R352 L361 | F11-V350 HydrophobicContact CD1-CG2 3.91Å; F11-V350 HydrophobicContact CE1-CG2 4.22Å; V14-V350 HydrophobicContact CG2-CG2 3.64Å; C330-V350 WeakPolarHBondContact CB-O 3.45Å; C330-V350 PolarHBondContact O-N 2.8Å; I332-V350 HydrophobicContact CD1-CG2 3.93Å; I332-V350 HydrophobicContact CG1-CG2 4.21Å; I332-V350 HydrophobicContact CG2-CG2 3.58Å; V350-R352 HydrophobicContact CG1-CG 4.22Å; V350-R352 PolarHBondContact O-N 3.45Å; V350-L361 HydrophobicContact CB-CD1 3.89Å; V350-L361 HydrophobicContact CB-CD2 4.48Å; V350-L361 HydrophobicContact CG1-CD1 4.06Å; V350-L361 HydrophobicContact CG1-CD2 4.22Å; V350-L361 HydrophobicContact CG2-CD1 4.23Å; V350-L361 HydrophobicContact CG2-CD2 4.17Å | ||
| 351 | P | 93.9 | Very high | 92.4 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | trans | -71.1 | 95.6 | -178 | 26.5 | -31.9 | 0 | 0 | 0 | 111.1 | H13 F15 | H13-P351 HydrophobicContact CB-CG 3.8Å; H13-P351 WeakPolarHBondContact O-CD 3.19Å; H13-P351 WeakPolarHBondContact O-CG 3.09Å; F15-P351 HydrophobicContact CD1-CG 4.42Å; F15-P351 HydrophobicContact CE1-CB 4.05Å; F15-P351 HydrophobicContact CE1-CG 4.28Å | ||
| 352 | R | 90.6 | Very high | 92.4 | Very high | 91 Ų | 91 | 52.7 Ų | 52.7 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | trans | -110 | 145.9 | 169.8 | -67.3 | -70.7 | 179.7 | 102.9 | -2.1 | 110 | V350 Q358 D360 L361 | V350-R352 HydrophobicContact CG1-CG 4.22Å; V350-R352 PolarHBondContact O-N 3.45Å; R352-Q358 HydrophobicContact CG-CG 4.43Å; R352-D360 IonicContact CZ-OD1 2.64Å; R352-D360 IonicContact CZ-OD2 3.13Å; R352-D360 IonicContact NH1-OD1 3.07Å; R352-D360 PolarHBondContact NH1-OD1 3.28Å; R352-D360 IonicContact NH1-OD2 3.83Å; R352-D360 PolarHBondContact NH1-OD2 2.75Å; R352-D360 IonicContact NH2-OD1 3.28Å; R352-D360 IonicContact NH2-OD2 3.84Å; R352-D360 PolarHBondContact NH2-OD2 2.95Å; R352-L361 HydrophobicContact CG-CD1 4.21Å | ||
| 353 | K | 84.2 | Confident | 92.4 | Very high | 220 Ų | 220 | 52.4 Ų | 52.4 | 96% | 0.957 | 27% | 0.27 | S | S | * | . | trans | -105 | 62.1 | 175 | -64.7 | -175.7 | -179.4 | -178.8 | 0 | 109.4 | ||||
| 354 | S | 86.1 | Confident | 92.3 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | trans | -150.1 | 138.3 | -179.8 | -170.7 | 0 | 0 | 0 | 0 | 110 | L356 Q358 | S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact OG-N 3.47Å; S354-Q358 PolarHBondContact OG-NE2 2.64Å | ||
| 355 | D | 82 | Confident | 92.2 | Very high | 175 Ų | 175 | 54.9 Ų | 54.9 | 94% | 0.936 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -89.8 | -2.6 | 172.5 | -55.1 | -42.8 | 0 | 0 | 0 | 111.8 | ||
| 356 | L | 89.1 | Confident | 92.1 | Very high | 136 Ų | 136 | 56.9 Ų | 56.9 | 71% | 0.712 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -80 | 148.1 | 176.2 | -60.8 | 175.2 | 0 | 0 | 0 | 110.3 | S354 Q358 | S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact OG-N 3.47Å; L356-Q358 PolarHBondContact O-N 3.42Å; L356-Q358 PolarHBondContact O-NE2 3.4Å |
| 357 | F | 90.1 | Very high | 91.8 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 21% | 0.211 | 31% | 0.306 | C | S | . | . | trans | -57.8 | 129.5 | 171.5 | -176 | -94.1 | 0 | 0 | 0 | 110.9 | V327 D359 Y362 M390 R391 | V327-F357 HydrophobicContact CB-CE2 4.16Å; V327-F357 HydrophobicContact CG1-CE2 4.36Å; V327-F357 HydrophobicContact CG2-CE2 4.35Å; F357-D359 WeakPolarHBondContact CD1-OD1 3.42Å; F357-D359 WeakPolarHBondContact CE1-OD1 3.25Å; F357-D359 PolarHBondContact O-N 2.96Å; F357-Y362 HydrophobicContact CE2-CD2 4.08Å; F357-Y362 HydrophobicContact CE2-CG 4.41Å; F357-Y362 HydrophobicContact CZ-CD2 4.12Å; F357-Y362 HydrophobicContact CZ-CG 4.19Å; F357-M390 HydrophobicContact CE2-CB 4.36Å; F357-M390 HydrophobicContact CZ-CB 4.21Å; F357-R391 HydrophobicContact CD1-CG 3.59Å; F357-R391 HydrophobicContact CD2-CG 4.18Å; F357-R391 HydrophobicContact CE1-CG 3.41Å; F357-R391 VanDerWaalsContact CE1-CG 3.41Å; F357-R391 HydrophobicContact CE2-CB 4.47Å; F357-R391 HydrophobicContact CE2-CG 4.04Å; F357-R391 HydrophobicContact CG-CG 3.96Å; F357-R391 HydrophobicContact CZ-CB 4.42Å; F357-R391 HydrophobicContact CZ-CG 3.64Å | ||
| 358 | Q | 90.8 | Very high | 91.6 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | trans | -94.6 | 87.9 | -176.5 | -58.5 | -62.6 | -72.2 | 0 | 0 | 110.5 | R352 S354 L356 D360 L361 Y362 | R352-Q358 HydrophobicContact CG-CG 4.43Å; S354-Q358 PolarHBondContact OG-NE2 2.64Å; L356-Q358 PolarHBondContact O-N 3.42Å; L356-Q358 PolarHBondContact O-NE2 3.4Å; Q358-D360 PolarHBondContact O-N 3.35Å; Q358-L361 HydrophobicContact CB-CB 4.08Å; Q358-L361 HydrophobicContact CB-CD1 3.85Å; Q358-L361 HydrophobicContact CB-CG 3.91Å; Q358-L361 HydrophobicContact CG-CD1 4.14Å; Q358-L361 PolarHBondContact O-N 3.13Å; Q358-Y362 HydrophobicContact CB-CD2 4.44Å; Q358-Y362 HydrophobicContact CB-CE2 4.48Å; Q358-Y362 WeakPolarHBondContact O-CD2 3.46Å; Q358-Y362 PolarHBondContact O-N 3.32Å | ||
| 359 | D | 90.1 | Very high | 91.4 | Very high | 80 Ų | 80 | 59.9 Ų | 59.9 | 43% | 0.428 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -31.4 | 179.8 | -70.5 | -52.5 | 0 | 0 | 0 | 114 | F357 L361 Y362 R391 | F357-D359 WeakPolarHBondContact CD1-OD1 3.42Å; F357-D359 WeakPolarHBondContact CE1-OD1 3.25Å; F357-D359 PolarHBondContact O-N 2.96Å; D359-L361 VanDerWaalsContact C-N 3.27Å; D359-L361 PolarHBondContact O-N 2.73Å; D359-Y362 CarbonylContact O-C 3.48Å; D359-R391 VanDerWaalsContact CG-CZ 3.42Å; D359-R391 IonicContact OD1-CZ 2.71Å; D359-R391 IonicContact OD1-NE 3.02Å; D359-R391 PolarHBondContact OD1-NE 2.83Å; D359-R391 IonicContact OD1-NH1 2.67Å; D359-R391 PolarHBondContact OD1-NH1 2.75Å; D359-R391 IonicContact OD1-NH2 3.25Å; D359-R391 PolarHBondContact OD1-NH2 2.78Å; D359-R391 IonicContact OD2-CZ 3.67Å; D359-R391 VanDerWaalsContact OD2-CZ 3.3Å; D359-R391 IonicContact OD2-NH1 3.64Å; D359-R391 PolarHBondContact OD2-NH1 2.97Å; D359-R391 IonicContact OD2-NH2 2.7Å; D359-R391 PolarHBondContact OD2-NH2 2.93Å |
| 360 | D | 91.2 | Very high | 91.4 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23.6 | 178.9 | 70.9 | -60.7 | 0 | 0 | 0 | 112.8 | K10 R352 Q358 | K10-D360 PolarHBondContact NZ-O 3.17Å; R352-D360 IonicContact CZ-OD1 2.64Å; R352-D360 IonicContact CZ-OD2 3.13Å; R352-D360 IonicContact NH1-OD1 3.07Å; R352-D360 PolarHBondContact NH1-OD1 3.28Å; R352-D360 IonicContact NH1-OD2 3.83Å; R352-D360 PolarHBondContact NH1-OD2 2.75Å; R352-D360 IonicContact NH2-OD1 3.28Å; R352-D360 IonicContact NH2-OD2 3.84Å; R352-D360 PolarHBondContact NH2-OD2 2.95Å; Q358-D360 PolarHBondContact O-N 3.35Å |
| 361 | L | 91.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -26.1 | 177.9 | -60.5 | -176.1 | 0 | 0 | 0 | 112.6 | K10 F11 C330 V350 R352 Q358 D359 P363 | K10-L361 HydrophobicContact CD-CD2 4.34Å; F11-L361 HydrophobicContact CE1-CD2 3.97Å; C330-L361 HydrophobicContact CB-CD1 4.31Å; V350-L361 HydrophobicContact CB-CD1 3.89Å; V350-L361 HydrophobicContact CB-CD2 4.48Å; V350-L361 HydrophobicContact CG1-CD1 4.06Å; V350-L361 HydrophobicContact CG1-CD2 4.22Å; V350-L361 HydrophobicContact CG2-CD1 4.23Å; V350-L361 HydrophobicContact CG2-CD2 4.17Å; R352-L361 HydrophobicContact CG-CD1 4.21Å; Q358-L361 HydrophobicContact CB-CB 4.08Å; Q358-L361 HydrophobicContact CB-CD1 3.85Å; Q358-L361 HydrophobicContact CB-CG 3.91Å; Q358-L361 HydrophobicContact CG-CD1 4.14Å; Q358-L361 PolarHBondContact O-N 3.13Å; D359-L361 VanDerWaalsContact C-N 3.27Å; D359-L361 PolarHBondContact O-N 2.73Å; L361-P363 WeakPolarHBondContact O-CD 3.04Å |
| 362 | Y | 93.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | trans | -126.5 | 72.7 | -173 | -55.6 | -67.2 | 0 | 0 | 0 | 110.6 | V325 V327 C330 E331 F357 Q358 D359 | V325-Y362 HydrophobicContact CG2-CE1 4.14Å; V327-Y362 HydrophobicContact CB-CD2 4.36Å; V327-Y362 HydrophobicContact CB-CE2 4.03Å; V327-Y362 HydrophobicContact CG1-CD1 4.1Å; V327-Y362 HydrophobicContact CG1-CD2 4.34Å; V327-Y362 HydrophobicContact CG1-CE1 3.99Å; V327-Y362 HydrophobicContact CG1-CE2 4.24Å; V327-Y362 HydrophobicContact CG1-CG 4.27Å; C330-Y362 WeakPolarHBondContact CA-OH 3.36Å; E331-Y362 VanDerWaalsContact C-OH 3.24Å; E331-Y362 PolarHBondContact N-OH 2.93Å; E331-Y362 VanDerWaalsContact N-OH 3.07Å; E331-Y362 WeakPolarHBondContact O-CE1 3.46Å; E331-Y362 PolarHBondContact O-OH 3.19Å; F357-Y362 HydrophobicContact CE2-CD2 4.08Å; F357-Y362 HydrophobicContact CE2-CG 4.41Å; F357-Y362 HydrophobicContact CZ-CD2 4.12Å; F357-Y362 HydrophobicContact CZ-CG 4.19Å; Q358-Y362 HydrophobicContact CB-CD2 4.44Å; Q358-Y362 HydrophobicContact CB-CE2 4.48Å; Q358-Y362 WeakPolarHBondContact O-CD2 3.46Å; Q358-Y362 PolarHBondContact O-N 3.32Å; D359-Y362 CarbonylContact O-C 3.48Å | ||
| 363 | P | 94.1 | Very high | 91.6 | Very high | 47 Ų | 47 | 57 Ų | 57 | 31% | 0.305 | 31% | 0.308 | S | S | . | . | trans | -62.6 | 167.3 | 166.3 | 31.9 | -36.1 | 0 | 0 | 0 | 110.3 | D276 L361 T365 | D276-P363 HydrophobicContact CB-CG 3.78Å; L361-P363 WeakPolarHBondContact O-CD 3.04Å; P363-T365 PolarHBondContact O-N 3.49Å | ||
| 364 | D | 94.1 | Very high | 92.1 | Very high | 86 Ų | 86 | 46.8 Ų | 46.8 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | trans | -60.1 | 129.3 | 175.9 | -62.1 | -25.3 | 0 | 0 | 0 | 110.1 | L387 I388 S389 | D364-L387 HydrophobicContact CB-CB 3.89Å; D364-L387 HydrophobicContact CB-CD1 4.35Å; D364-I388 WeakPolarHBondContact CA-O 2.95Å; D364-S389 WeakPolarHBondContact OD1-CA 3.34Å; D364-S389 WeakPolarHBondContact OD1-CB 3.27Å; D364-S389 PolarHBondContact OD1-OG 2.86Å | ||
| 365 | T | 93.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 164.3 | -169.2 | -164.2 | 0 | 0 | 0 | 0 | 110.9 | D276 K322 P363 G367 L387 I388 M390 | D276-T365 WeakPolarHBondContact OD2-CB 3.37Å; D276-T365 PolarHBondContact OD2-OG1 3.26Å; K322-T365 HydrophobicContact CB-CG2 4.01Å; K322-T365 WeakPolarHBondContact CB-OG1 3.34Å; P363-T365 PolarHBondContact O-N 3.49Å; T365-G367 PolarHBondContact O-N 2.97Å; T365-L387 CarbonylContact O-C 3.56Å; T365-L387 VanDerWaalsContact O-CA 3.23Å; T365-L387 WeakPolarHBondContact O-CA 3.15Å; T365-I388 HydrophobicContact CG2-CG1 4.22Å; T365-I388 PolarHBondContact N-O 3.45Å; T365-I388 PolarHBondContact O-N 3.03Å; T365-M390 HydrophobicContact CG2-CG 3.78Å; T365-M390 HydrophobicContact CG2-SD 3.73Å |
| 366 | A | 93.5 | Very high | 93.1 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 121.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P385 | A366-P385 HydrophobicContact CB-CB 3.75Å; A366-P385 HydrophobicContact CB-CG 4.35Å |
| 367 | G | 92.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | trans | -81.9 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T365 I386 | T365-G367 PolarHBondContact O-N 2.97Å; G367-I386 WeakPolarHBondContact CA-O 3.23Å; G367-I386 PolarHBondContact N-O 2.78Å | ||
| 368 | P | 93 | Very high | 93.7 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -83.1 | -11.4 | 177.4 | 35.5 | -35.5 | 0 | 0 | 0 | 113 | H92 P397 | H92-P368 CarbonylContact C-O 3.58Å; H92-P368 WeakPolarHBondContact CA-O 3.11Å; H92-P368 WeakPolarHBondContact CB-O 3.48Å; P368-P397 HydrophobicContact CB-CB 3.87Å; P368-P397 HydrophobicContact CB-CG 3.92Å; P368-P397 HydrophobicContact CG-CB 4.23Å; P368-P397 HydrophobicContact CG-CG 4.46Å |
| 369 | D | 93.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 46 Ų | 46 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -79.5 | 127.3 | 178.6 | -72.8 | -34 | 0 | 0 | 0 | 109.8 | I386 | D369-I386 HydrophobicContact CB-CD1 4.07Š|
| 370 | P | 94.5 | Very high | 94.1 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | trans | -68.6 | 143.7 | 175.5 | 29.3 | -33.3 | 0 | 0 | 0 | 110.1 | T142 R144 I386 | T142-P370 CarbonylContact O-C 3.58Å; R144-P370 HydrophobicContact CB-CB 3.93Å; R144-P370 HydrophobicContact CB-CG 3.9Å; R144-P370 HydrophobicContact CG-CG 4.16Å; P370-I386 WeakPolarHBondContact O-CD1 3.49Å | ||
| 371 | A | 95.3 | Very high | 94.3 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -76.6 | -28.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T142 E383 I386 | T142-A371 PolarHBondContact O-N 3.48Å; A371-E383 HydrophobicContact CB-CB 3.93Å; A371-I386 HydrophobicContact CB-CG1 4.14Å |
| 372 | M | 95.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -140.9 | 154.2 | -172 | -62.9 | 176.3 | -70.8 | 0 | 0 | 112 | T142 A143 R144 E376 R381 E383 | T142-M372 PolarHBondContact O-N 3.23Å; T142-M372 VanDerWaalsContact O-N 3.15Å; T142-M372 WeakPolarHBondContact OG1-CE 3.48Å; A143-M372 WeakPolarHBondContact CA-O 3.45Å; R144-M372 PolarHBondContact N-O 3.39Å; M372-E376 HydrophobicContact CB-CB 4.5Å; M372-R381 HydrophobicContact SD-CB 3.94Å; M372-R381 HydrophobicContact SD-CG 3.85Å; M372-R381 VanDerWaalsContact SD-O 3.33Å; M372-E383 HydrophobicContact CE-CB 4.01Å; M372-E383 HydrophobicContact CG-CB 4.01Å; M372-E383 HydrophobicContact CG-CG 3.91Å; M372-E383 HydrophobicContact SD-CB 3.82Å; M372-E383 HydrophobicContact SD-CG 3.75Å |
| 373 | E | 95.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | trans | -85.9 | 159.1 | 167.2 | -67 | -61.6 | 149.9 | 0 | 0 | 110.7 | R144 E375 E376 W377 | R144-E373 WeakPolarHBondContact CD-OE2 3.36Å; E373-E375 PolarHBondContact O-N 3.48Å; E373-E376 HydrophobicContact CB-CG 4.44Å; E373-E376 PolarHBondContact O-N 2.6Å; E373-W377 PolarHBondContact O-N 2.57Å | ||
| 374 | P | 93.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -50.6 | -42.8 | -178.5 | -25.2 | 29.5 | 0 | 0 | 0 | 114.1 | R144 I146 N160 L378 | R144-P374 VanDerWaalsContact O-CG 3.28Å; R144-P374 WeakPolarHBondContact O-CG 3.45Å; I146-P374 HydrophobicContact CD1-CB 3.81Å; I146-P374 HydrophobicContact CD1-CG 4.46Å; I146-P374 HydrophobicContact CG1-CB 4.47Å; N160-P374 WeakPolarHBondContact ND2-CB 3.44Å; P374-L378 WeakPolarHBondContact O-CB 3.2Å; P374-L378 PolarHBondContact O-N 2.71Å |
| 375 | E | 94.4 | Very high | 94.6 | Very high | 109 Ų | 109 | 51.6 Ų | 51.6 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | -176.1 | -62.6 | 76 | -167.6 | 0 | 0 | 111.2 | E373 W377 L378 D379 | E373-E375 PolarHBondContact O-N 3.48Å; E375-W377 VanDerWaalsContact C-N 3.34Å; E375-W377 PolarHBondContact O-N 2.92Å; E375-L378 PolarHBondContact O-N 3.43Å; E375-D379 WeakPolarHBondContact O-CB 3.42Å; E375-D379 VanDerWaalsContact O-CG 3.28Å; E375-D379 PolarHBondContact O-N 3.23Å |
| 376 | E | 95.9 | Very high | 94.6 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 179 | -60.8 | -175 | 174.6 | 0 | 0 | 111.7 | M372 E373 D379 R381 | M372-E376 HydrophobicContact CB-CB 4.5Å; E373-E376 HydrophobicContact CB-CG 4.44Å; E373-E376 PolarHBondContact O-N 2.6Å; E376-D379 PolarHBondContact O-N 3.29Å; E376-R381 WeakPolarHBondContact O-CB 3.39Å; E376-R381 PolarHBondContact O-N 3.02Å; E376-R381 VanDerWaalsContact O-N 3.12Å; E376-R381 IonicContact OE1-NH1 3.56Å; E376-R381 IonicContact OE2-CZ 2.94Å; E376-R381 IonicContact OE2-NH1 2.75Å; E376-R381 PolarHBondContact OE2-NH1 3.42Å |
| 377 | W | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.5 | 173.2 | 77.9 | 0 | 0 | 0 | 111.4 | H140 A143 I146 I158 I168 W182 G186 P203 R204 E373 E375 D379 G380 | H140-W377 AromaticContact CE1-CD1 3.72Å; H140-W377 AromaticContact CE1-NE1 3.58Å; H140-W377 AromaticContact NE2-CD1 3.61Å; H140-W377 AromaticContact NE2-CE2 3.42Å; H140-W377 AromaticContact NE2-CZ2 3.86Å; H140-W377 AromaticContact NE2-NE1 3Å; H140-W377 PolarHBondContact NE2-NE1 2.68Å; A143-W377 HydrophobicContact CB-CB 3.95Å; A143-W377 HydrophobicContact CB-CG 4.08Å; I146-W377 HydrophobicContact CD1-CE3 4.14Å; I146-W377 HydrophobicContact CD1-CZ3 4.31Å; I146-W377 HydrophobicContact CG1-CE3 4.28Å; I146-W377 HydrophobicContact CG2-CH2 4.48Å; I146-W377 HydrophobicContact CG2-CZ3 4.34Å; I158-W377 HydrophobicContact CD1-CH2 4.21Å; I158-W377 HydrophobicContact CG2-CH2 4.09Å; I158-W377 HydrophobicContact CG2-CZ3 4.27Å; I168-W377 HydrophobicContact CD1-CH2 3.81Å; I168-W377 HydrophobicContact CD1-CZ3 3.99Å; W182-W377 HydrophobicContact CH2-CH2 4.39Å; W182-W377 AromaticContact CH2-CZ2 3.96Å; W182-W377 HydrophobicContact CH2-CZ2 3.96Å; W182-W377 HydrophobicContact CZ3-CZ2 4.28Å; G186-W377 PolarHBondContact O-NE1 2.77Å; P203-W377 HydrophobicContact CB-CH2 4.26Å; P203-W377 HydrophobicContact CB-CZ2 4.35Å; P203-W377 HydrophobicContact CG-CH2 4.18Å; P203-W377 HydrophobicContact CG-CZ2 3.77Å; R204-W377 WeakPolarHBondContact CD-O 3.39Å; R204-W377 HydrophobicContact CG-CH2 4.16Å; R204-W377 HydrophobicContact CG-CZ2 4.05Å; R204-W377 PolarHBondContact NH1-O 2.77Å; E373-W377 PolarHBondContact O-N 2.57Å; E375-W377 VanDerWaalsContact C-N 3.34Å; E375-W377 PolarHBondContact O-N 2.92Å; W377-D379 VanDerWaalsContact C-N 3.3Å; W377-D379 PolarHBondContact O-N 3.44Å; W377-G380 PolarHBondContact O-N 2.74Å |
| 378 | L | 94.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 58 Ų | 58 | 40% | 0.403 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -33.9 | 178.6 | -170 | 66.4 | 0 | 0 | 0 | 112.3 | I168 P374 E375 G380 | I168-L378 HydrophobicContact CD1-CD1 4.08Å; I168-L378 HydrophobicContact CG1-CD1 4.4Å; P374-L378 WeakPolarHBondContact O-CB 3.2Å; P374-L378 PolarHBondContact O-N 2.71Å; E375-L378 PolarHBondContact O-N 3.43Å; L378-G380 PolarHBondContact O-N 2.79Å |
| 379 | D | 95.1 | Very high | 94.7 | Very high | 143 Ų | 143 | 59.5 Ų | 59.5 | 77% | 0.765 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -3.7 | 173.6 | -73.4 | -17.7 | 0 | 0 | 0 | 113.1 | E375 E376 W377 | E375-D379 WeakPolarHBondContact O-CB 3.42Å; E375-D379 VanDerWaalsContact O-CG 3.28Å; E375-D379 PolarHBondContact O-N 3.23Å; E376-D379 PolarHBondContact O-N 3.29Å; W377-D379 VanDerWaalsContact C-N 3.3Å; W377-D379 PolarHBondContact O-N 3.44Å |
| 380 | G | 93.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99 | 12.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W377 L378 | W377-G380 PolarHBondContact O-N 2.74Å; L378-G380 PolarHBondContact O-N 2.79Å |
| 381 | R | 95.6 | Very high | 94.1 | Very high | 105 Ų | 105 | 61.7 Ų | 61.7 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | trans | -73.3 | 135.9 | 173.7 | -165.3 | 179.4 | 174.2 | -168.1 | -2.9 | 110.3 | R204 M372 E376 E383 | R204-R381 PolarHBondContact NH1-O 2.91Å; R204-R381 VanDerWaalsContact NH1-O 3.1Å; M372-R381 HydrophobicContact SD-CB 3.94Å; M372-R381 HydrophobicContact SD-CG 3.85Å; M372-R381 VanDerWaalsContact SD-O 3.33Å; E376-R381 WeakPolarHBondContact O-CB 3.39Å; E376-R381 PolarHBondContact O-N 3.02Å; E376-R381 VanDerWaalsContact O-N 3.12Å; E376-R381 IonicContact OE1-NH1 3.56Å; E376-R381 IonicContact OE2-CZ 2.94Å; E376-R381 IonicContact OE2-NH1 2.75Å; E376-R381 PolarHBondContact OE2-NH1 3.42Å; R381-E383 HydrophobicContact CG-CG 4.24Å; R381-E383 IonicContact CZ-OE1 3.85Å; R381-E383 IonicContact NE-OE1 3.57Å; R381-E383 PolarHBondContact NE-OE1 2.65Å; R381-E383 VanDerWaalsContact NE-OE1 3.1Å; R381-E383 IonicContact NH2-OE1 2.75Å; R381-E383 PolarHBondContact NH2-OE1 3.33Å | ||
| 382 | D | 95.2 | Very high | 93.3 | Very high | 67 Ų | 67 | 67 Ų | 67 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | trans | -124.1 | 121.9 | 175.7 | -70.7 | -34 | 0 | 0 | 0 | 109.1 | S187 R204 | S187-D382 VanDerWaalsContact CB-CG 3.48Å; S187-D382 VanDerWaalsContact CB-OD1 3.25Å; S187-D382 WeakPolarHBondContact CB-OD1 3.23Å; S187-D382 WeakPolarHBondContact CB-OD2 3.26Å; R204-D382 IonicContact CZ-OD1 3.53Å; R204-D382 IonicContact CZ-OD2 3.75Å; R204-D382 IonicContact NH1-OD1 3.95Å; R204-D382 PolarHBondContact NH1-OD1 2.88Å; R204-D382 IonicContact NH1-OD2 2.82Å; R204-D382 IonicContact NH2-OD1 3.45Å; R204-D382 PolarHBondContact NH2-OD1 3.34Å; R204-D382 IonicContact NH2-OD2 2.74Å; R204-D382 PolarHBondContact NH2-OD2 2.79Å | ||
| 383 | E | 94.3 | Very high | 92.4 | Very high | 77 Ų | 77 | 68.1 Ų | 68.1 | 36% | 0.36 | 35% | 0.354 | S | S | . | . | trans | -135.7 | 141.4 | 178.4 | -66.3 | -75.1 | -179.7 | 0 | 0 | 109.3 | T142 N185 A371 M372 R381 | T142-E383 WeakPolarHBondContact CG2-O 3.28Å; N185-E383 WeakPolarHBondContact CB-O 3.41Å; A371-E383 HydrophobicContact CB-CB 3.93Å; M372-E383 HydrophobicContact CE-CB 4.01Å; M372-E383 HydrophobicContact CG-CB 4.01Å; M372-E383 HydrophobicContact CG-CG 3.91Å; M372-E383 HydrophobicContact SD-CB 3.82Å; M372-E383 HydrophobicContact SD-CG 3.75Å; R381-E383 HydrophobicContact CG-CG 4.24Å; R381-E383 IonicContact CZ-OE1 3.85Å; R381-E383 IonicContact NE-OE1 3.57Å; R381-E383 PolarHBondContact NE-OE1 2.65Å; R381-E383 VanDerWaalsContact NE-OE1 3.1Å; R381-E383 IonicContact NH2-OE1 2.75Å; R381-E383 PolarHBondContact NH2-OE1 3.33Å | ||
| 384 | D | 94.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 68.5 Ų | 68.5 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 157.4 | 172.5 | -81.3 | -34.6 | 0 | 0 | 0 | 111.3 | I386 | D384-I386 PolarHBondContact O-N 3.03Š|
| 385 | P | 94.8 | Very high | 91 | Very high | 15 Ų | 15 | 72 Ų | 72 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 139.4 | 176.8 | -19.5 | 27.7 | 0 | 0 | 0 | 112.1 | T142 R184 A366 L387 | T142-P385 HydrophobicContact CG2-CB 4.16Å; T142-P385 HydrophobicContact CG2-CG 3.65Å; R184-P385 HydrophobicContact CG-CG 4.29Å; R184-P385 WeakPolarHBondContact O-CG 3.37Å; A366-P385 HydrophobicContact CB-CB 3.75Å; A366-P385 HydrophobicContact CB-CG 4.35Å; P385-L387 WeakPolarHBondContact O-CD2 3.34Å; P385-L387 PolarHBondContact O-N 3.14Å; P385-L387 VanDerWaalsContact O-N 3.15Å |
| 386 | I | 94.8 | Very high | 90.1 | Very high | 75 Ų | 75 | 70.5 Ų | 70.5 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 117.8 | 173.3 | -61 | 177.3 | 0 | 0 | 0 | 108.2 | G367 D369 P370 A371 D384 | G367-I386 WeakPolarHBondContact CA-O 3.23Å; G367-I386 PolarHBondContact N-O 2.78Å; D369-I386 HydrophobicContact CB-CD1 4.07Å; P370-I386 WeakPolarHBondContact O-CD1 3.49Å; A371-I386 HydrophobicContact CB-CG1 4.14Å; D384-I386 PolarHBondContact O-N 3.03Å |
| 387 | L | 94.4 | Very high | 89.2 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.5 | -176.5 | -53.7 | -178.9 | 0 | 0 | 0 | 111.5 | D364 T365 P385 | D364-L387 HydrophobicContact CB-CB 3.89Å; D364-L387 HydrophobicContact CB-CD1 4.35Å; T365-L387 CarbonylContact O-C 3.56Å; T365-L387 VanDerWaalsContact O-CA 3.23Å; T365-L387 WeakPolarHBondContact O-CA 3.15Å; P385-L387 WeakPolarHBondContact O-CD2 3.34Å; P385-L387 PolarHBondContact O-N 3.14Å; P385-L387 VanDerWaalsContact O-N 3.15Å |
| 388 | I | 93.7 | Very high | 88.2 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 21% | 0.21 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.7 | 174 | 62.9 | 169.3 | 0 | 0 | 0 | 110.4 | R323 D364 T365 | R323-I388 HydrophobicContact CG-CD1 4.12Å; D364-I388 WeakPolarHBondContact CA-O 2.95Å; T365-I388 HydrophobicContact CG2-CG1 4.22Å; T365-I388 PolarHBondContact N-O 3.45Å; T365-I388 PolarHBondContact O-N 3.03Å |
| 389 | S | 93.6 | Very high | 86.4 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | trans | -83 | 136.5 | 173.6 | -162.5 | 0 | 0 | 0 | 0 | 110.7 | D364 R391 | D364-S389 WeakPolarHBondContact OD1-CA 3.34Å; D364-S389 WeakPolarHBondContact OD1-CB 3.27Å; D364-S389 PolarHBondContact OD1-OG 2.86Å; S389-R391 PolarHBondContact O-N 2.99Å | ||
| 390 | M | 88.8 | Confident | 85 | Confident | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.025 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -82.2 | 0.4 | 178.6 | -70.1 | -64.3 | -59.1 | 0 | 0 | 113.6 | K322 V327 F357 T365 D392 G393 | K322-M390 WeakPolarHBondContact O-CE 3.36Å; V327-M390 HydrophobicContact CG1-CB 4.17Å; V327-M390 HydrophobicContact CG1-CE 4.01Å; F357-M390 HydrophobicContact CE2-CB 4.36Å; F357-M390 HydrophobicContact CZ-CB 4.21Å; T365-M390 HydrophobicContact CG2-CG 3.78Å; T365-M390 HydrophobicContact CG2-SD 3.73Å; M390-D392 VanDerWaalsContact C-N 3.32Å; M390-D392 PolarHBondContact O-N 2.89Å; M390-G393 PolarHBondContact O-N 2.89Å |
| 391 | R | 86.2 | Confident | 83.7 | Confident | 134 Ų | 134 | 79.2 Ų | 79.2 | 51% | 0.506 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -62.1 | -38.5 | 178.7 | -71.3 | -174.7 | -172.7 | -95.1 | 20.5 | 113 | F357 D359 S389 G393 | F357-R391 HydrophobicContact CD1-CG 3.59Å; F357-R391 HydrophobicContact CD2-CG 4.18Å; F357-R391 HydrophobicContact CE1-CG 3.41Å; F357-R391 VanDerWaalsContact CE1-CG 3.41Å; F357-R391 HydrophobicContact CE2-CB 4.47Å; F357-R391 HydrophobicContact CE2-CG 4.04Å; F357-R391 HydrophobicContact CG-CG 3.96Å; F357-R391 HydrophobicContact CZ-CB 4.42Å; F357-R391 HydrophobicContact CZ-CG 3.64Å; D359-R391 VanDerWaalsContact CG-CZ 3.42Å; D359-R391 IonicContact OD1-CZ 2.71Å; D359-R391 IonicContact OD1-NE 3.02Å; D359-R391 PolarHBondContact OD1-NE 2.83Å; D359-R391 IonicContact OD1-NH1 2.67Å; D359-R391 PolarHBondContact OD1-NH1 2.75Å; D359-R391 IonicContact OD1-NH2 3.25Å; D359-R391 PolarHBondContact OD1-NH2 2.78Å; D359-R391 IonicContact OD2-CZ 3.67Å; D359-R391 VanDerWaalsContact OD2-CZ 3.3Å; D359-R391 IonicContact OD2-NH1 3.64Å; D359-R391 PolarHBondContact OD2-NH1 2.97Å; D359-R391 IonicContact OD2-NH2 2.7Å; D359-R391 PolarHBondContact OD2-NH2 2.93Å; S389-R391 PolarHBondContact O-N 2.99Å; R391-G393 PolarHBondContact O-N 2.73Å |
| 392 | D | 78.1 | Confident | 82.8 | Confident | 137 Ų | 137 | 75 Ų | 75 | 73% | 0.733 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -79.9 | 1.9 | -176.7 | -60.8 | -36.6 | 0 | 0 | 0 | 112.5 | M390 | M390-D392 VanDerWaalsContact C-N 3.32Å; M390-D392 PolarHBondContact O-N 2.89Å |
| 393 | G | 77.4 | Confident | 81.8 | Confident | 27 Ų | 27 | 79.6 Ų | 79.6 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | trans | 73.2 | -156.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M390 R391 V395 | M390-G393 PolarHBondContact O-N 2.89Å; R391-G393 PolarHBondContact O-N 2.73Å; G393-V395 PolarHBondContact O-N 3.35Å | ||
| 394 | Y | 82.4 | Confident | 81 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | trans | -73.8 | 109.6 | -179.5 | 174.6 | -106 | 0 | 0 | 0 | 110.9 | P44 D94 R323 P396 | P44-Y394 HydrophobicContact CB-CD2 3.57Å; P44-Y394 HydrophobicContact CB-CE2 3.21Å; P44-Y394 HydrophobicContact CB-CG 4.45Å; P44-Y394 HydrophobicContact CG-CD2 4.05Å; P44-Y394 HydrophobicContact CG-CE2 3.65Å; D94-Y394 WeakPolarHBondContact OD2-CE2 3.48Å; D94-Y394 PolarHBondContact OD2-OH 2.84Å; R323-Y394 HydrophobicContact CB-CD2 4.24Å; Y394-P396 HydrophobicContact CE1-CB 3.85Å | ||
| 395 | V | 77.4 | Confident | 79.9 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | trans | -93.1 | 114.3 | 168.1 | -177.2 | 0 | 0 | 0 | 0 | 108 | G393 | G393-V395 PolarHBondContact O-N 3.35Š| ||
| 396 | P | 74.7 | Confident | 78.1 | Confident | 78 Ų | 78 | 83.7 Ų | 83.7 | 51% | 0.506 | 43% | 0.428 | S | S | . | . | trans | -64.5 | 143.1 | 178.1 | 26 | -32.5 | 0 | 0 | 0 | 110.1 | Y394 | Y394-P396 HydrophobicContact CE1-CB 3.85Š| ||
| 397 | P | 77.8 | Confident | 76 | Confident | 16 Ų | 16 | 87.7 Ų | 87.7 | 10% | 0.104 | 44% | 0.442 | C | S | . | . | trans | -53.6 | 150.1 | 168.7 | -4 | 6 | 0 | 0 | 0 | 109.9 | D94 P368 S399 | D94-P397 HydrophobicContact CB-CG 4.15Å; D94-P397 WeakPolarHBondContact OD2-CD 3.46Å; D94-P397 WeakPolarHBondContact OD2-CG 3.41Å; P368-P397 HydrophobicContact CB-CB 3.87Å; P368-P397 HydrophobicContact CB-CG 3.92Å; P368-P397 HydrophobicContact CG-CB 4.23Å; P368-P397 HydrophobicContact CG-CG 4.46Å; P397-S399 VanDerWaalsContact C-N 3.32Å; P397-S399 PolarHBondContact O-N 2.8Å | ||
| 398 | K | 73.9 | Confident | 73.5 | Confident | 147 Ų | 147 | 88.9 Ų | 88.9 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | trans | -62.5 | 99.3 | 167.1 | -70.1 | 173.6 | -176.7 | 162.3 | 0 | 107.4 | R400 | K398-R400 WeakPolarHBondContact O-CG 3.49Å; K398-R400 PolarHBondContact O-N 2.79Å | ||
| 399 | S | 58 | Low | 71.4 | Confident | 86 Ų | 86 | 93.4 Ų | 93.4 | 60% | 0.601 | 48% | 0.479 | S | S | * | . | trans | -53.7 | 116.5 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | P397 | P397-S399 VanDerWaalsContact C-N 3.32Å; P397-S399 PolarHBondContact O-N 2.8Å | ||
| 400 | R | 64.9 | Low | 69.1 | Low | 129 Ų | 129 | 99.2 Ų | 99.2 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | trans | -127.8 | 113.6 | 175.8 | -71.6 | 175.7 | -174.5 | -176.7 | 3.4 | 105.8 | K398 L402 | K398-R400 WeakPolarHBondContact O-CG 3.49Å; K398-R400 PolarHBondContact O-N 2.79Å; R400-L402 PolarHBondContact O-N 3.42Å; R400-L402 VanDerWaalsContact O-N 3.09Å | ||
| 401 | E | 68.5 | Low | 66.9 | Low | 143 Ų | 143 | 104.8 Ų | 104.8 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | trans | -51.2 | 122.8 | 170.8 | -71.1 | -178.3 | 166.2 | 0 | 0 | 109.2 | K403 | E401-K403 PolarHBondContact O-N 2.78Š| ||
| 402 | L | 75.5 | Confident | 64.8 | Low | 16 Ų | 16 | 103.3 Ų | 103.3 | 8% | 0.084 | 55% | 0.546 | C | S | . | . | trans | -70.7 | 100 | 176.6 | -176.3 | 69.9 | 0 | 0 | 0 | 108.4 | I96 V108 I124 N145 V161 R400 | I96-L402 HydrophobicContact CD1-CB 3.78Å; I96-L402 HydrophobicContact CD1-CD2 4.15Å; I96-L402 HydrophobicContact CG1-CB 4.47Å; I96-L402 HydrophobicContact CG2-CD2 4.48Å; V108-L402 HydrophobicContact CG1-CD2 4.3Å; I124-L402 HydrophobicContact CD1-CB 4.13Å; I124-L402 HydrophobicContact CD1-CD2 4.02Å; I124-L402 WeakPolarHBondContact CG2-O 3.45Å; N145-L402 WeakPolarHBondContact OD1-CD1 3.45Å; V161-L402 HydrophobicContact CG1-CD2 3.8Å; R400-L402 PolarHBondContact O-N 3.42Å; R400-L402 VanDerWaalsContact O-N 3.09Å | ||
| 403 | K | 74.6 | Confident | 62.6 | Low | 163 Ų | 163 | 106.8 Ų | 106.8 | 71% | 0.709 | 55% | 0.548 | S | S | * | . | trans | -91 | 121.5 | 175.5 | -68 | -175.8 | -178.8 | -179.6 | 0 | 109.7 | E401 A405 | E401-K403 PolarHBondContact O-N 2.78Å; K403-A405 PolarHBondContact O-N 3.38Å | ||
| 404 | V | 77.2 | Confident | 60.5 | Low | 39 Ų | 39 | 111.2 Ų | 111.2 | 24% | 0.236 | 57% | 0.572 | C | S | . | * | trans | -85 | 110.7 | 177.6 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | I124 V125 G162 K406 | I124-V404 HydrophobicContact CG2-CG2 3.53Å; V125-V404 HydrophobicContact CG2-CB 4.22Å; V125-V404 HydrophobicContact CG2-CG1 4.03Å; V125-V404 HydrophobicContact CG2-CG2 3.16Å; G162-V404 CarbonylContact O-C 3.57Å; G162-V404 VanDerWaalsContact O-CA 3.27Å; G162-V404 WeakPolarHBondContact O-CA 3.47Å; V404-K406 HydrophobicContact CG1-CG 4.17Å; V404-K406 PolarHBondContact O-N 3.09Å | ||
| 405 | A | 72.4 | Confident | 58 | Low | 68 Ų | 68 | 113.2 Ų | 113.2 | 56% | 0.562 | 59% | 0.594 | S | S | * | * | trans | -87.6 | 87.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | G162 K403 K407 | G162-A405 PolarHBondContact O-N 2.99Å; K403-A405 PolarHBondContact O-N 3.38Å; A405-K407 PolarHBondContact O-N 2.96Å | ||
| 406 | K | 56.9 | Low | 55.8 | Low | 170 Ų | 170 | 116.2 Ų | 116.2 | 74% | 0.739 | 61% | 0.612 | S | S | * | * | trans | -65.9 | 116.3 | 167.4 | -67.5 | -171.1 | 179.1 | -175.1 | 0 | 107.8 | V404 N408 | V404-K406 HydrophobicContact CG1-CG 4.17Å; V404-K406 PolarHBondContact O-N 3.09Å; K406-N408 PolarHBondContact O-N 3.21Å; K406-N408 VanDerWaalsContact O-N 3.11Å | ||
| 407 | K | 50.7 | Low | 53.7 | Low | 158 Ų | 158 | 123.8 Ų | 123.8 | 69% | 0.687 | 63% | 0.631 | S | S | * | * | trans | -63.8 | 114.3 | 169.4 | -76.9 | 176.8 | -178.9 | 163.7 | 0 | 107.6 | A405 V409 | A405-K407 PolarHBondContact O-N 2.96Å; K407-V409 PolarHBondContact O-N 2.91Å | ||
| 408 | N | 41.4 | Very low | 51.5 | Low | 107 Ų | 107 | 134.4 Ų | 134.4 | 57% | 0.572 | 67% | 0.669 | S | S | * | * | trans | -63.4 | 122.3 | 170.4 | -75.6 | -33.9 | 0 | 0 | 0 | 108.1 | K406 L410 D411 | K406-N408 PolarHBondContact O-N 3.21Å; K406-N408 VanDerWaalsContact O-N 3.11Å; N408-L410 PolarHBondContact O-N 2.67Å; N408-D411 HydrophobicContact CB-CB 4.28Å; N408-D411 PolarHBondContact O-N 2.89Å | ||
| 409 | V | 49.9 | Very low | 49.5 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -56 | -22.8 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | K407 S412 | K407-V409 PolarHBondContact O-N 2.91Å; V409-S412 PolarHBondContact O-OG 2.59Å |
| 410 | L | 45.2 | Very low | 48.2 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -83.1 | -11.2 | 176.3 | -74.3 | 157.2 | 0 | 0 | 0 | 115.4 | N408 S412 | N408-L410 PolarHBondContact O-N 2.67Å; L410-S412 VanDerWaalsContact C-N 3.29Å |
| 411 | D | 42.7 | Very low | 46.8 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 66% | 0.658 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -88.1 | 7.5 | 177.7 | -92 | -30.5 | 0 | 0 | 0 | 113.4 | N408 R413 | N408-D411 HydrophobicContact CB-CB 4.28Å; N408-D411 PolarHBondContact O-N 2.89Å; D411-R413 PolarHBondContact O-N 3.42Å |
| 412 | S | 41 | Very low | 45.6 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | -72.8 | 49 | 163.5 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | V409 L410 | V409-S412 PolarHBondContact O-OG 2.59Å; L410-S412 VanDerWaalsContact C-N 3.29Å | ||
| 413 | R | 32.8 | Very low | 43.6 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 124.9 | 158 | -86.5 | -177.9 | 173 | 177.6 | -0.7 | 107.4 | D411 T415 | D411-R413 PolarHBondContact O-N 3.42Å; R413-T415 PolarHBondContact O-N 3.38Å |
| 414 | P | 33 | Very low | 41.6 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 118.8 | 172.1 | 23.8 | -29.6 | 0 | 0 | 0 | 107.5 | T416 | P414-T416 PolarHBondContact O-N 2.84Å; P414-T416 VanDerWaalsContact O-N 3.09Å |
| 415 | T | 29.8 | Very low | 39.8 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 117 | 174.8 | 36 | 0 | 0 | 0 | 0 | 107.9 | R413 R417 | R413-T415 PolarHBondContact O-N 3.38Å; T415-R417 VanDerWaalsContact C-N 3.27Å; T415-R417 PolarHBondContact O-N 2.88Å |
| 416 | T | 30.6 | Very low | 38.5 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | -63.8 | 93.1 | 168 | 29.1 | 0 | 0 | 0 | 0 | 107.6 | P414 R418 | P414-T416 PolarHBondContact O-N 2.84Å; P414-T416 VanDerWaalsContact O-N 3.09Å; T416-R418 PolarHBondContact O-N 2.97Å; T416-R418 VanDerWaalsContact O-N 3.12Å | ||
| 417 | R | 31.1 | Very low | 38.3 | Very low | 237 Ų | 237 | 147.2 Ų | 147.2 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -59.5 | 112 | 168 | -79.6 | -176.8 | 174.9 | -179.6 | -1.3 | 108.3 | T415 S419 | T415-R417 VanDerWaalsContact C-N 3.27Å; T415-R417 PolarHBondContact O-N 2.88Å; R417-S419 PolarHBondContact O-N 3.4Å | ||
| 418 | R | 30.9 | Very low | 38.4 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -75.1 | 115.9 | 160.5 | -99.1 | -177.6 | 172.8 | 176.5 | -1.9 | 108.9 | T416 | T416-R418 PolarHBondContact O-N 2.97Å; T416-R418 VanDerWaalsContact O-N 3.12Å | ||
| 419 | S | 33 | Very low | 39.4 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | 55.7 | 100.1 | 152.5 | 65.5 | 0 | 0 | 0 | 0 | 119 | R417 | R417-S419 PolarHBondContact O-N 3.4Š| ||
| 420 | M | 30.4 | Very low | 40 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | -127.8 | 131.6 | 118.4 | -76.1 | -154.9 | -61.3 | 0 | 0 | 108.9 | |||||
| 421 | S | 35.1 | Very low | 41.1 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 146.6 | -176 | 44.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 422 | A | 42.8 | Very low | 42.5 | Very low | 91 Ų | 91 | 141 Ų | 141 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 70 | 103.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 423 | L | 33.2 | Very low | 44.2 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -171.7 | 107.2 | 131 | -93.4 | 145.6 | 0 | 0 | 0 | 109.9 | ||||
| 424 | D | 32.6 | Very low | 46.4 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 37.6 | 96.6 | 150.4 | -58.7 | -26.5 | 0 | 0 | 0 | 120.8 | N426 | D424-N426 PolarHBondContact O-N 2.82Š| ||
| 425 | T | 40 | Very low | 48.6 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -69.6 | 96.5 | 149.3 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 426 | N | 45.8 | Very low | 50.8 | Low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | trans | -178.1 | 99.5 | 150.2 | -95.8 | -19.9 | 0 | 0 | 0 | 110.6 | D424 | D424-N426 PolarHBondContact O-N 2.82Š| ||
| 427 | S | 51.5 | Low | 53.4 | Low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | trans | 165.7 | 76.2 | 136.3 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 428 | L | 53.8 | Low | 56.1 | Low | 143 Ų | 143 | 131.3 Ų | 131.3 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | trans | -100.7 | 125.1 | 148.6 | -86.3 | 157.6 | 0 | 0 | 0 | 106.3 | L432 | L428-L432 HydrophobicContact CD2-CD2 4.11Š| ||
| 429 | P | 62.8 | Low | 58.8 | Low | 74 Ų | 74 | 125.6 Ų | 125.6 | 48% | 0.481 | 69% | 0.687 | S | S | . | * | trans | -56.6 | 128.9 | -178.8 | -22.6 | 31.3 | 0 | 0 | 0 | 110 | Q431 L432 | P429-Q431 PolarHBondContact O-N 2.83Å; P429-L432 WeakPolarHBondContact O-CB 3.38Å; P429-L432 PolarHBondContact O-N 2.81Å | ||
| 430 | P | 62.5 | Low | 61.2 | Low | 105 Ų | 105 | 124.7 Ų | 124.7 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -52.7 | -32.5 | -178.7 | -25.7 | 31.8 | 0 | 0 | 0 | 113.1 | L432 L433 E434 | P430-L432 VanDerWaalsContact C-N 3.34Å; P430-L432 PolarHBondContact O-N 3.47Å; P430-L433 PolarHBondContact O-N 2.7Å; P430-E434 PolarHBondContact O-N 2.93Å; P430-E434 VanDerWaalsContact O-N 3.16Å |
| 431 | Q | 67.7 | Low | 64 | Low | 149 Ų | 149 | 122 Ų | 122 | 70% | 0.696 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.6 | -30.2 | 178.2 | -68.3 | 174.9 | -14.6 | 0 | 0 | 114 | P429 R435 | P429-Q431 PolarHBondContact O-N 2.83Å; Q431-R435 WeakPolarHBondContact O-CG 3.39Å; Q431-R435 PolarHBondContact O-N 2.94Å |
| 432 | L | 72.8 | Confident | 66.5 | Low | 84 Ų | 84 | 121.3 Ų | 121.3 | 44% | 0.44 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -75.8 | -39.1 | 178.9 | -169.4 | 76.4 | 0 | 0 | 0 | 110.6 | L428 P429 P430 E434 R435 L436 | L428-L432 HydrophobicContact CD2-CD2 4.11Å; P429-L432 WeakPolarHBondContact O-CB 3.38Å; P429-L432 PolarHBondContact O-N 2.81Å; P430-L432 VanDerWaalsContact C-N 3.34Å; P430-L432 PolarHBondContact O-N 3.47Å; L432-E434 VanDerWaalsContact C-N 3.34Å; L432-R435 PolarHBondContact O-N 3.03Å; L432-L436 HydrophobicContact CG-CD1 4.34Å; L432-L436 VanDerWaalsContact O-CG 3.29Å; L432-L436 WeakPolarHBondContact O-CG 3.37Å; L432-L436 PolarHBondContact O-N 3.33Å |
| 433 | L | 75.9 | Confident | 68.5 | Low | 109 Ų | 109 | 122 Ų | 122 | 57% | 0.571 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 177.8 | -175.8 | 63.4 | 0 | 0 | 0 | 111.5 | P430 L436 L437 | P430-L433 PolarHBondContact O-N 2.7Å; L433-L436 PolarHBondContact O-N 3.25Å; L433-L437 HydrophobicContact CG-CD1 4.42Å; L433-L437 WeakPolarHBondContact O-CG 3.46Å; L433-L437 PolarHBondContact O-N 3.16Å |
| 434 | E | 78.3 | Confident | 71.2 | Confident | 139 Ų | 139 | 120.9 Ų | 120.9 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.1 | -41.7 | 178.8 | -155.6 | 161.8 | -151.9 | 0 | 0 | 111.6 | P430 L432 L436 L437 E438 | P430-E434 PolarHBondContact O-N 2.93Å; P430-E434 VanDerWaalsContact O-N 3.16Å; L432-E434 VanDerWaalsContact C-N 3.34Å; E434-L436 PolarHBondContact O-N 3.29Å; E434-L437 PolarHBondContact O-N 3.08Å; E434-E438 WeakPolarHBondContact O-CB 3.17Å; E434-E438 PolarHBondContact O-N 2.74Å |
| 435 | R | 79.3 | Confident | 73.9 | Confident | 184 Ų | 184 | 116.5 Ų | 116.5 | 69% | 0.694 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.3 | -43.1 | 172.9 | -78.9 | -176.1 | -177.8 | -173.9 | 1.9 | 113 | Q431 L432 L437 E438 E439 | Q431-R435 WeakPolarHBondContact O-CG 3.39Å; Q431-R435 PolarHBondContact O-N 2.94Å; L432-R435 PolarHBondContact O-N 3.03Å; R435-L437 VanDerWaalsContact C-N 3.32Å; R435-L437 PolarHBondContact O-N 3.42Å; R435-E438 PolarHBondContact O-N 3.31Å; R435-E439 WeakPolarHBondContact O-CB 3.41Å; R435-E439 PolarHBondContact O-N 3.47Å |
| 436 | L | 77 | Confident | 76.2 | Confident | 82 Ų | 82 | 113.4 Ų | 113.4 | 43% | 0.429 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.6 | -36.7 | 178.4 | -73.2 | 169.7 | 0 | 0 | 0 | 111.8 | L432 L433 E434 I440 | L432-L436 HydrophobicContact CG-CD1 4.34Å; L432-L436 VanDerWaalsContact O-CG 3.29Å; L432-L436 WeakPolarHBondContact O-CG 3.37Å; L432-L436 PolarHBondContact O-N 3.33Å; L433-L436 PolarHBondContact O-N 3.25Å; E434-L436 PolarHBondContact O-N 3.29Å; L436-I440 WeakPolarHBondContact O-CB 3.14Å; L436-I440 WeakPolarHBondContact O-CD1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.2Å; L436-I440 PolarHBondContact O-N 3.44Å |
| 437 | L | 85.8 | Confident | 78.3 | Confident | 99 Ų | 99 | 109.5 Ų | 109.5 | 52% | 0.518 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.3 | -40.4 | 175.5 | -75.5 | 171.2 | 0 | 0 | 0 | 112.1 | L433 E434 R435 I440 Q441 | L433-L437 HydrophobicContact CG-CD1 4.42Å; L433-L437 WeakPolarHBondContact O-CG 3.46Å; L433-L437 PolarHBondContact O-N 3.16Å; E434-L437 PolarHBondContact O-N 3.08Å; R435-L437 VanDerWaalsContact C-N 3.32Å; R435-L437 PolarHBondContact O-N 3.42Å; L437-I440 PolarHBondContact O-N 3.09Å; L437-Q441 WeakPolarHBondContact O-CG 3.2Å; L437-Q441 PolarHBondContact O-N 3.44Å |
| 438 | E | 87.9 | Confident | 80.2 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -40.1 | 176.9 | -159.8 | 171.9 | -157.5 | 0 | 0 | 111.4 | E434 R435 Q441 N442 | E434-E438 WeakPolarHBondContact O-CB 3.17Å; E434-E438 PolarHBondContact O-N 2.74Å; R435-E438 PolarHBondContact O-N 3.31Å; E438-Q441 PolarHBondContact O-N 3.44Å; E438-N442 PolarHBondContact O-N 3.1Å |
| 439 | E | 85.8 | Confident | 81.9 | Confident | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.2 | -40.5 | 176.2 | -160.2 | 168 | -151.5 | 0 | 0 | 112 | R435 Q441 N442 L443 | R435-E439 WeakPolarHBondContact O-CB 3.41Å; R435-E439 PolarHBondContact O-N 3.47Å; E439-Q441 PolarHBondContact O-N 2.94Å; E439-N442 PolarHBondContact O-N 2.8Å; E439-L443 WeakPolarHBondContact O-CB 3.35Å; E439-L443 WeakPolarHBondContact O-CG 3.45Å; E439-L443 PolarHBondContact O-N 2.83Å |
| 440 | I | 85.1 | Confident | 83.1 | Confident | 87 Ų | 87 | 108.5 Ų | 108.5 | 45% | 0.446 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.4 | -39 | 173.5 | -72.4 | 168.6 | 0 | 0 | 0 | 111.5 | L436 L437 K444 | L436-I440 WeakPolarHBondContact O-CB 3.14Å; L436-I440 WeakPolarHBondContact O-CD1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.2Å; L436-I440 PolarHBondContact O-N 3.44Å; L437-I440 PolarHBondContact O-N 3.09Å; I440-K444 WeakPolarHBondContact O-CG 3.38Å; I440-K444 PolarHBondContact O-N 3.26Å |
| 441 | Q | 87.9 | Confident | 84.5 | Confident | 136 Ų | 136 | 109.1 Ų | 109.1 | 64% | 0.636 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | 176.2 | -78.9 | -175.6 | -10.7 | 0 | 0 | 111.9 | L437 E438 E439 K444 A445 | L437-Q441 WeakPolarHBondContact O-CG 3.2Å; L437-Q441 PolarHBondContact O-N 3.44Å; E438-Q441 PolarHBondContact O-N 3.44Å; E439-Q441 PolarHBondContact O-N 2.94Å; Q441-K444 PolarHBondContact O-N 3.11Å; Q441-A445 PolarHBondContact O-N 3.44Å |
| 442 | N | 88.7 | Confident | 85.6 | Confident | 100 Ų | 100 | 109 Ų | 109 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.6 | -80.2 | -26.4 | 0 | 0 | 0 | 112 | E438 E439 K444 A445 T446 | E438-N442 PolarHBondContact O-N 3.1Å; E439-N442 PolarHBondContact O-N 2.8Å; N442-K444 VanDerWaalsContact C-N 3.34Å; N442-K444 PolarHBondContact O-N 2.83Å; N442-A445 PolarHBondContact O-N 3.21Å; N442-T446 PolarHBondContact O-N 2.83Å; N442-T446 PolarHBondContact O-OG1 2.99Å |
| 443 | L | 84.6 | Confident | 86.4 | Confident | 105 Ų | 105 | 113.6 Ų | 113.6 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.4 | -43.7 | 175.3 | -75.6 | 166.4 | 0 | 0 | 0 | 111.4 | E439 A445 T446 V447 | E439-L443 WeakPolarHBondContact O-CB 3.35Å; E439-L443 WeakPolarHBondContact O-CG 3.45Å; E439-L443 PolarHBondContact O-N 2.83Å; L443-A445 PolarHBondContact O-N 2.97Å; L443-T446 PolarHBondContact O-N 2.91Å; L443-V447 WeakPolarHBondContact O-CG2 3.32Å; L443-V447 PolarHBondContact O-N 2.86Å |
| 444 | K | 88.9 | Confident | 87.1 | Confident | 142 Ų | 142 | 112.8 Ų | 112.8 | 62% | 0.617 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.9 | -43.3 | 175.5 | -79.5 | -178.2 | 177.8 | -176.9 | 0 | 112.8 | I440 Q441 N442 T446 V447 L448 | I440-K444 WeakPolarHBondContact O-CG 3.38Å; I440-K444 PolarHBondContact O-N 3.26Å; Q441-K444 PolarHBondContact O-N 3.11Å; N442-K444 VanDerWaalsContact C-N 3.34Å; N442-K444 PolarHBondContact O-N 2.83Å; K444-T446 VanDerWaalsContact C-N 3.29Å; K444-T446 PolarHBondContact O-N 3.15Å; K444-V447 PolarHBondContact O-N 2.79Å; K444-L448 PolarHBondContact O-N 3.41Å; K444-L448 VanDerWaalsContact O-N 3.08Å |
| 445 | A | 89.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 109 Ų | 109 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q441 N442 L443 L448 S449 | Q441-A445 PolarHBondContact O-N 3.44Å; N442-A445 PolarHBondContact O-N 3.21Å; L443-A445 PolarHBondContact O-N 2.97Å; A445-L448 PolarHBondContact O-N 2.75Å; A445-S449 PolarHBondContact O-N 2.82Å |
| 446 | T | 89 | Confident | 88 | Confident | 74 Ų | 74 | 104.2 Ų | 104.2 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 179.1 | -45.4 | 0 | 0 | 0 | 0 | 111.2 | N442 L443 K444 S449 Q450 | N442-T446 PolarHBondContact O-N 2.83Å; N442-T446 PolarHBondContact O-OG1 2.99Å; L443-T446 PolarHBondContact O-N 2.91Å; K444-T446 VanDerWaalsContact C-N 3.29Å; K444-T446 PolarHBondContact O-N 3.15Å; T446-S449 PolarHBondContact O-N 3.47Å; T446-Q450 WeakPolarHBondContact O-CG 3.13Å; T446-Q450 PolarHBondContact O-N 2.98Å |
| 447 | V | 90.4 | Very high | 88.4 | Confident | 75 Ų | 75 | 105 Ų | 105 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111 | L443 K444 S449 Q450 E451 | L443-V447 WeakPolarHBondContact O-CG2 3.32Å; L443-V447 PolarHBondContact O-N 2.86Å; K444-V447 PolarHBondContact O-N 2.79Å; V447-S449 VanDerWaalsContact C-N 3.31Å; V447-S449 PolarHBondContact O-N 2.99Å; V447-Q450 PolarHBondContact O-N 3.26Å; V447-E451 PolarHBondContact O-N 2.78Å |
| 448 | L | 90.9 | Very high | 88.4 | Confident | 116 Ų | 116 | 106 Ų | 106 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 176.6 | -107.8 | 153.8 | 0 | 0 | 0 | 112.8 | K444 A445 Q450 K452 | K444-L448 PolarHBondContact O-N 3.41Å; K444-L448 VanDerWaalsContact O-N 3.08Å; A445-L448 PolarHBondContact O-N 2.75Å; L448-Q450 VanDerWaalsContact C-N 3.33Å; L448-K452 PolarHBondContact O-N 2.69Å; L448-K452 VanDerWaalsContact O-N 3.14Å |
| 449 | S | 90 | Very high | 88.2 | Confident | 82 Ų | 82 | 104.2 Ų | 104.2 | 57% | 0.573 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.5 | -36.1 | 175 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | A445 T446 V447 R453 | A445-S449 PolarHBondContact O-N 2.82Å; T446-S449 PolarHBondContact O-N 3.47Å; V447-S449 VanDerWaalsContact C-N 3.31Å; V447-S449 PolarHBondContact O-N 2.99Å; S449-R453 PolarHBondContact O-N 2.95Å |
| 450 | Q | 87.5 | Confident | 88.1 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.4 | -41.9 | 177.8 | -73.7 | 177.8 | -10.7 | 0 | 0 | 111.4 | T446 V447 L448 K452 R453 I454 | T446-Q450 WeakPolarHBondContact O-CG 3.13Å; T446-Q450 PolarHBondContact O-N 2.98Å; V447-Q450 PolarHBondContact O-N 3.26Å; L448-Q450 VanDerWaalsContact C-N 3.33Å; Q450-K452 VanDerWaalsContact C-N 3.33Å; Q450-K452 PolarHBondContact O-N 2.98Å; Q450-R453 WeakPolarHBondContact O-CB 3.39Å; Q450-R453 PolarHBondContact O-N 3.28Å; Q450-R453 VanDerWaalsContact O-N 3.15Å; Q450-I454 VanDerWaalsContact O-CG1 3.31Å; Q450-I454 WeakPolarHBondContact O-CG1 3.17Å; Q450-I454 PolarHBondContact O-N 3.33Å |
| 451 | E | 92.1 | Very high | 87.8 | Confident | 118 Ų | 118 | 106.8 Ų | 106.8 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.1 | -44.5 | 174.2 | -76.1 | -178.7 | 163.7 | 0 | 0 | 111.8 | V447 R453 I454 C455 | V447-E451 PolarHBondContact O-N 2.78Å; E451-R453 VanDerWaalsContact C-N 3.32Å; E451-R453 PolarHBondContact O-N 3.35Å; E451-I454 PolarHBondContact O-N 2.94Å; E451-C455 PolarHBondContact O-N 3.23Å |
| 452 | K | 90.1 | Very high | 87.2 | Confident | 148 Ų | 148 | 102.9 Ų | 102.9 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 176.5 | -167.1 | 174.1 | -176.4 | 179.7 | 0 | 112 | L448 Q450 C455 D456 | L448-K452 PolarHBondContact O-N 2.69Å; L448-K452 VanDerWaalsContact O-N 3.14Å; Q450-K452 VanDerWaalsContact C-N 3.33Å; Q450-K452 PolarHBondContact O-N 2.98Å; K452-C455 PolarHBondContact O-N 3.2Å; K452-D456 PolarHBondContact O-N 2.86Å |
| 453 | R | 90.6 | Very high | 86.4 | Confident | 180 Ų | 180 | 105.1 Ų | 105.1 | 68% | 0.679 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.2 | -38.4 | 176.9 | -176.1 | 174.1 | 176.5 | 169.8 | -1.7 | 112.2 | S449 Q450 E451 L457 | S449-R453 PolarHBondContact O-N 2.95Å; Q450-R453 WeakPolarHBondContact O-CB 3.39Å; Q450-R453 PolarHBondContact O-N 3.28Å; Q450-R453 VanDerWaalsContact O-N 3.15Å; E451-R453 VanDerWaalsContact C-N 3.32Å; E451-R453 PolarHBondContact O-N 3.35Å; R453-L457 HydrophobicContact CG-CD1 4.21Å; R453-L457 WeakPolarHBondContact O-CB 3.07Å; R453-L457 VanDerWaalsContact O-CG 3.27Å; R453-L457 WeakPolarHBondContact O-CG 3.04Å; R453-L457 PolarHBondContact O-N 3.44Å |
| 454 | I | 90.4 | Very high | 85.5 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 175.5 | -69.9 | 165.4 | 0 | 0 | 0 | 109.6 | Q450 E451 D456 L457 E458 | Q450-I454 VanDerWaalsContact O-CG1 3.31Å; Q450-I454 WeakPolarHBondContact O-CG1 3.17Å; Q450-I454 PolarHBondContact O-N 3.33Å; E451-I454 PolarHBondContact O-N 2.94Å; I454-D456 VanDerWaalsContact C-N 3.35Å; I454-D456 PolarHBondContact O-N 2.78Å; I454-L457 WeakPolarHBondContact O-CB 3.48Å; I454-L457 PolarHBondContact O-N 3.4Å; I454-L457 VanDerWaalsContact O-N 3.1Å; I454-E458 HydrophobicContact CG2-CG 4.34Å; I454-E458 WeakPolarHBondContact O-CG 3.4Å; I454-E458 PolarHBondContact O-N 2.8Å |
| 455 | C | 90 | Very high | 84.2 | Confident | 59 Ų | 59 | 106 Ų | 106 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 177.7 | -169.1 | 0 | 0 | 0 | 0 | 112.6 | E451 K452 L457 E458 N459 | E451-C455 PolarHBondContact O-N 3.23Å; K452-C455 PolarHBondContact O-N 3.2Å; C455-L457 VanDerWaalsContact C-N 3.33Å; C455-L457 PolarHBondContact O-N 3.08Å; C455-E458 PolarHBondContact O-N 3.02Å; C455-N459 WeakPolarHBondContact O-CB 3.21Å; C455-N459 VanDerWaalsContact O-CG 3.3Å; C455-N459 PolarHBondContact O-N 2.91Å; C455-N459 PolarHBondContact O-ND2 3.05Å; C455-N459 VanDerWaalsContact O-ND2 3.15Å |
| 456 | D | 86.4 | Confident | 82.7 | Confident | 84 Ų | 84 | 110.1 Ų | 110.1 | 45% | 0.449 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -35.1 | 175.8 | -75 | -20.4 | 0 | 0 | 0 | 112.7 | K452 I454 K460 | K452-D456 PolarHBondContact O-N 2.86Å; I454-D456 VanDerWaalsContact C-N 3.35Å; I454-D456 PolarHBondContact O-N 2.78Å; D456-K460 WeakPolarHBondContact O-CG 3.38Å; D456-K460 PolarHBondContact O-N 3.03Å; D456-K460 VanDerWaalsContact O-N 3.13Å |
| 457 | L | 86.1 | Confident | 81.2 | Confident | 98 Ų | 98 | 109.4 Ų | 109.4 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.8 | -41.3 | 175.6 | -74.6 | 168.5 | 0 | 0 | 0 | 111.5 | R453 I454 C455 N459 K460 L461 | R453-L457 HydrophobicContact CG-CD1 4.21Å; R453-L457 WeakPolarHBondContact O-CB 3.07Å; R453-L457 VanDerWaalsContact O-CG 3.27Å; R453-L457 WeakPolarHBondContact O-CG 3.04Å; R453-L457 PolarHBondContact O-N 3.44Å; I454-L457 WeakPolarHBondContact O-CB 3.48Å; I454-L457 PolarHBondContact O-N 3.4Å; I454-L457 VanDerWaalsContact O-N 3.1Å; C455-L457 VanDerWaalsContact C-N 3.33Å; C455-L457 PolarHBondContact O-N 3.08Å; L457-N459 VanDerWaalsContact C-N 3.35Å; L457-K460 PolarHBondContact O-N 3.46Å; L457-L461 WeakPolarHBondContact O-CB 3.42Å; L457-L461 PolarHBondContact O-N 3Å |
| 458 | E | 85.8 | Confident | 79.5 | Confident | 120 Ų | 120 | 112 Ų | 112 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.3 | -41.5 | 175.2 | -72.2 | 173 | 166.2 | 0 | 0 | 111.7 | I454 C455 K460 L461 S462 | I454-E458 HydrophobicContact CG2-CG 4.34Å; I454-E458 WeakPolarHBondContact O-CG 3.4Å; I454-E458 PolarHBondContact O-N 2.8Å; C455-E458 PolarHBondContact O-N 3.02Å; E458-K460 VanDerWaalsContact C-N 3.35Å; E458-K460 PolarHBondContact O-N 3.28Å; E458-L461 PolarHBondContact O-N 2.68Å; E458-S462 PolarHBondContact O-N 2.92Å; E458-S462 PolarHBondContact O-OG 2.89Å |
| 459 | N | 83.2 | Confident | 77.3 | Confident | 84 Ų | 84 | 114.6 Ų | 114.6 | 45% | 0.449 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.3 | -33.7 | 175.2 | -74.5 | -33.4 | 0 | 0 | 0 | 113.1 | C455 L457 S462 Q463 | C455-N459 WeakPolarHBondContact O-CB 3.21Å; C455-N459 VanDerWaalsContact O-CG 3.3Å; C455-N459 PolarHBondContact O-N 2.91Å; C455-N459 PolarHBondContact O-ND2 3.05Å; C455-N459 VanDerWaalsContact O-ND2 3.15Å; L457-N459 VanDerWaalsContact C-N 3.35Å; N459-S462 PolarHBondContact O-OG 2.97Å; N459-Q463 WeakPolarHBondContact O-CG 3.48Å; N459-Q463 PolarHBondContact O-N 3.18Å |
| 460 | K | 82.7 | Confident | 76.7 | Confident | 126 Ų | 126 | 116.3 Ų | 116.3 | 55% | 0.548 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.1 | -40.4 | 172.4 | -75.2 | 173.2 | -178.3 | 176.2 | 0 | 111.2 | D456 L457 E458 S462 Q463 Y464 | D456-K460 WeakPolarHBondContact O-CG 3.38Å; D456-K460 PolarHBondContact O-N 3.03Å; D456-K460 VanDerWaalsContact O-N 3.13Å; L457-K460 PolarHBondContact O-N 3.46Å; E458-K460 VanDerWaalsContact C-N 3.35Å; E458-K460 PolarHBondContact O-N 3.28Å; K460-S462 VanDerWaalsContact C-N 3.3Å; K460-S462 PolarHBondContact O-N 2.91Å; K460-Q463 PolarHBondContact O-N 2.89Å; K460-Y464 VanDerWaalsContact O-CD2 3.26Å; K460-Y464 WeakPolarHBondContact O-CD2 3.45Å; K460-Y464 PolarHBondContact O-N 2.71Å |
| 461 | L | 79 | Confident | 76.1 | Confident | 133 Ų | 133 | 116.4 Ų | 116.4 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.3 | -39 | 178.4 | -146.2 | 102.5 | 0 | 0 | 0 | 111.6 | L457 E458 Q463 Y464 A465 | L457-L461 WeakPolarHBondContact O-CB 3.42Å; L457-L461 PolarHBondContact O-N 3Å; E458-L461 PolarHBondContact O-N 2.68Å; L461-Q463 VanDerWaalsContact C-N 3.34Å; L461-Q463 PolarHBondContact O-N 2.94Å; L461-Y464 PolarHBondContact O-N 3.39Å; L461-A465 PolarHBondContact O-N 2.99Å; L461-A465 VanDerWaalsContact O-N 3.09Å |
| 462 | S | 75.2 | Confident | 75.3 | Confident | 54 Ų | 54 | 116.3 Ų | 116.3 | 38% | 0.378 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.7 | -29.5 | 177.2 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | E458 N459 K460 A465 N466 | E458-S462 PolarHBondContact O-N 2.92Å; E458-S462 PolarHBondContact O-OG 2.89Å; N459-S462 PolarHBondContact O-OG 2.97Å; K460-S462 VanDerWaalsContact C-N 3.3Å; K460-S462 PolarHBondContact O-N 2.91Å; S462-A465 PolarHBondContact O-N 2.77Å; S462-N466 PolarHBondContact O-N 2.86Å |
| 463 | Q | 71.3 | Confident | 74.4 | Confident | 148 Ų | 148 | 114.5 Ų | 114.5 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.7 | -34.4 | 171.9 | -71.9 | 178.2 | 7.9 | 0 | 0 | 112.7 | N459 K460 L461 | N459-Q463 WeakPolarHBondContact O-CG 3.48Å; N459-Q463 PolarHBondContact O-N 3.18Å; K460-Q463 PolarHBondContact O-N 2.89Å; L461-Q463 VanDerWaalsContact C-N 3.34Å; L461-Q463 PolarHBondContact O-N 2.94Å |
| 464 | Y | 67.4 | Low | 73.4 | Confident | 196 Ų | 196 | 110.4 Ų | 110.4 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.4 | -33.4 | 173.1 | -80.6 | -77.2 | 0 | 0 | 0 | 112.6 | K460 L461 N466 G467 | K460-Y464 VanDerWaalsContact O-CD2 3.26Å; K460-Y464 WeakPolarHBondContact O-CD2 3.45Å; K460-Y464 PolarHBondContact O-N 2.71Å; L461-Y464 PolarHBondContact O-N 3.39Å; Y464-N466 VanDerWaalsContact C-N 3.32Å; Y464-N466 PolarHBondContact O-N 2.71Å; Y464-G467 PolarHBondContact O-N 3.41Å |
| 465 | A | 60.7 | Low | 72.2 | Confident | 69 Ų | 69 | 111.7 Ų | 111.7 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.7 | -26.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L461 S462 | L461-A465 PolarHBondContact O-N 2.99Å; L461-A465 VanDerWaalsContact O-N 3.09Å; S462-A465 PolarHBondContact O-N 2.77Å |
| 466 | N | 58.9 | Low | 71 | Confident | 144 Ų | 144 | 115.4 Ų | 115.4 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 1 | 178.9 | -72.2 | -19.5 | 0 | 0 | 0 | 114 | S462 Y464 | S462-N466 PolarHBondContact O-N 2.86Å; Y464-N466 VanDerWaalsContact C-N 3.32Å; Y464-N466 PolarHBondContact O-N 2.71Å |
| 467 | G | 56.3 | Low | 69.8 | Low | 60 Ų | 60 | 117.8 Ų | 117.8 | 62% | 0.619 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -99.2 | 1.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y464 | Y464-G467 PolarHBondContact O-N 3.41Š|
| 468 | T | 54.1 | Low | 68.4 | Low | 130 Ų | 130 | 119.5 Ų | 119.5 | 80% | 0.798 | 69% | 0.688 | S | S | * | * | trans | -108.3 | 83.2 | 171.9 | 44.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 469 | A | 46.5 | Very low | 66.8 | Low | 170 Ų | 170 | 119.5 Ų | 119.5 | 100% | 1.405 | 70% | 0.699 | S | S | * | * | trans | -134.5 | 0 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 469 of 469 residues in 236 ms
(Link to these results)