| 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 | 53.9 | Low | 87.3 | Confident | 212 Ų | 212 | 72.2 Ų | 72.2 | 100% | 1.044 | 41% | 0.412 | S | S | * | . | 0 | 143 | 0 | -68.4 | 174.8 | -159.7 | 0 | 0 | 109.3 | K330 | M1-K330 WeakPolarHBondContact O-CE 3.34Å; M1-K330 PolarHBondContact O-NZ 2.86Å | |||
| 2 | A | 70.6 | Confident | 88.2 | Confident | 84 Ų | 84 | 68 Ų | 68 | 69% | 0.694 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 159.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 3 | S | 77.9 | Confident | 89 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 158.9 | 169.7 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | L328 | S3-L328 WeakPolarHBondContact CB-O 3.1Š|
| 4 | L | 85.8 | Confident | 89.6 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 13% | 0.131 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 137.6 | 178.6 | -172.9 | 71.4 | 0 | 0 | 0 | 112.5 | V6 V326 L327 L328 F368 Q372 A373 | L4-V6 HydrophobicContact CB-CG1 4.39Å; L4-V6 HydrophobicContact CD2-CG1 4.2Å; L4-V6 HydrophobicContact CG-CG1 4.35Å; L4-V6 PolarHBondContact O-N 3.11Å; L4-V326 HydrophobicContact CD1-CG1 4.15Å; L4-L327 PolarHBondContact N-O 2.81Å; L4-L327 VanDerWaalsContact N-O 3.11Å; L4-L328 HydrophobicContact CD2-CD2 3.85Å; L4-F368 HydrophobicContact CD2-CD2 4.31Å; L4-Q372 WeakPolarHBondContact CD1-O 3.49Å; L4-Q372 HydrophobicContact CD2-CB 4.37Å; L4-A373 HydrophobicContact CD2-CB 3.88Å |
| 5 | P | 89.6 | Confident | 89.9 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 65% | 0.649 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 124.3 | 165.9 | 29.7 | -32.8 | 0 | 0 | 0 | 109.8 | ||
| 6 | V | 94.6 | Very high | 89.8 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | trans | -120.9 | 162.9 | -173.2 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | L4 K9 L366 M367 F368 | L4-V6 HydrophobicContact CB-CG1 4.39Å; L4-V6 HydrophobicContact CD2-CG1 4.2Å; L4-V6 HydrophobicContact CG-CG1 4.35Å; L4-V6 PolarHBondContact O-N 3.11Å; V6-K9 HydrophobicContact CG2-CB 4Å; V6-L366 HydrophobicContact CB-CD2 4.11Å; V6-L366 HydrophobicContact CB-CG 4.4Å; V6-L366 HydrophobicContact CG1-CD1 4.35Å; V6-L366 HydrophobicContact CG1-CD2 3.62Å; V6-L366 HydrophobicContact CG1-CG 4.07Å; V6-L366 HydrophobicContact CG2-CG 4.31Å; V6-M367 WeakPolarHBondContact CB-O 3.38Å; V6-F368 HydrophobicContact CB-CB 4.18Å; V6-F368 HydrophobicContact CG1-CB 3.94Å | ||
| 7 | L | 96.1 | Very high | 89.3 | Confident | 51 Ų | 51 | 67.9 Ų | 67.9 | 27% | 0.267 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -70.4 | -39.3 | 178.4 | -63.7 | 175.1 | 0 | 0 | 0 | 112.1 | P345 L350 M367 T369 | L7-P345 HydrophobicContact CD1-CG 4.12Å; L7-L350 HydrophobicContact CD1-CD1 3.5Å; L7-L350 VanDerWaalsContact CD1-CD1 3.5Å; L7-M367 WeakPolarHBondContact CA-O 3.31Å; L7-M367 HydrophobicContact CB-CE 4.05Å; L7-M367 WeakPolarHBondContact CB-O 3.26Å; L7-M367 HydrophobicContact CD1-CE 4.47Å; L7-M367 PolarHBondContact N-O 3.01Å; L7-T369 HydrophobicContact CD1-CG2 3.81Å |
| 8 | Q | 97.7 | Very high | 89.2 | Confident | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.065 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 142.7 | 179.5 | -172.5 | 174.1 | 0.1 | 0 | 0 | 110.1 | E10 V67 L366 M367 | Q8-E10 HydrophobicContact CG-CG 4.49Å; Q8-E10 PolarHBondContact NE2-OE2 2.62Å; Q8-V67 PolarHBondContact NE2-O 2.76Å; Q8-L366 WeakPolarHBondContact O-CA 2.84Å; Q8-M367 HydrophobicContact CB-CB 4.04Å; Q8-M367 HydrophobicContact CB-CE 4.04Å; Q8-M367 PolarHBondContact N-O 2.84Å; Q8-M367 PolarHBondContact O-N 3.49Å |
| 9 | K | 97.9 | Very high | 89.5 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 47% | 0.474 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 120 | 170.6 | -177.4 | 176.9 | 179.8 | 174.6 | 0 | 108.7 | V6 Y355 V364 F365 | V6-K9 HydrophobicContact CG2-CB 4Å; K9-Y355 WeakPolarHBondContact CE-OH 3.33Å; K9-Y355 PolarHBondContact NZ-OH 3.44Å; K9-V364 HydrophobicContact CG-CG1 3.82Å; K9-F365 WeakPolarHBondContact CA-O 3.13Å |
| 10 | E | 97.9 | Very high | 89.9 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 152.5 | 179 | 60.9 | 173.4 | -109.2 | 0 | 0 | 112 | Q8 V12 W69 V364 F365 | Q8-E10 HydrophobicContact CG-CG 4.49Å; Q8-E10 PolarHBondContact NE2-OE2 2.62Å; E10-V12 HydrophobicContact CG-CG1 4.24Å; E10-W69 PolarHBondContact OE1-NE1 3.19Å; E10-V364 CarbonylContact O-C 3.56Å; E10-V364 WeakPolarHBondContact O-CA 3.5Å; E10-V364 WeakPolarHBondContact O-CG1 3.45Å; E10-F365 HydrophobicContact CG-CB 4.39Å; E10-F365 HydrophobicContact CG-CD1 4.37Å; E10-F365 PolarHBondContact N-O 3.19Å; E10-F365 PolarHBondContact O-N 2.77Å |
| 11 | S | 98.4 | Very high | 90.3 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 112.6 | 176.3 | -49.2 | 0 | 0 | 0 | 0 | 109 | E362 | S11-E362 VanDerWaalsContact CB-OE2 3.25Å; S11-E362 WeakPolarHBondContact CB-OE2 3.39Å; S11-E362 PolarHBondContact OG-OE2 3.42Å |
| 12 | V | 98.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -25.7 | -177.9 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | E10 W69 L354 I363 F365 | E10-V12 HydrophobicContact CG-CG1 4.24Å; V12-W69 HydrophobicContact CG1-CD2 3.91Å; V12-W69 HydrophobicContact CG1-CG 4.03Å; V12-W69 HydrophobicContact CG1-CZ2 4.19Å; V12-L354 HydrophobicContact CG2-CD1 3.5Å; V12-I363 HydrophobicContact CG2-CG2 4.42Å; V12-I363 WeakPolarHBondContact CG2-O 3.33Å; V12-I363 PolarHBondContact N-O 2.7Å; V12-F365 HydrophobicContact CG1-CB 3.58Å; V12-F365 HydrophobicContact CG2-CB 4.37Å |
| 13 | F | 98.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.4 | 168.4 | -56.2 | -76.6 | 0 | 0 | 0 | 109 | Y21 A37 A39 V54 C56 Q72 E362 I363 | F13-Y21 HydrophobicContact CB-CD1 4.42Å; F13-Y21 HydrophobicContact CB-CD2 4.09Å; F13-Y21 HydrophobicContact CB-CG 3.85Å; F13-Y21 HydrophobicContact CD1-CD1 4.25Å; F13-Y21 HydrophobicContact CD1-CG 4.48Å; F13-Y21 HydrophobicContact CG-CG 4.44Å; F13-A37 HydrophobicContact CE2-CB 4.12Å; F13-A37 HydrophobicContact CZ-CB 4.47Å; F13-A37 WeakPolarHBondContact CZ-O 3.4Å; F13-A39 HydrophobicContact CD2-CB 3.84Å; F13-A39 HydrophobicContact CE1-CB 4.45Å; F13-A39 HydrophobicContact CE2-CB 3.77Å; F13-A39 HydrophobicContact CG-CB 4.23Å; F13-A39 HydrophobicContact CZ-CB 4.09Å; F13-V54 HydrophobicContact CD1-CG2 4.18Å; F13-V54 HydrophobicContact CE1-CB 4.47Å; F13-V54 HydrophobicContact CE1-CG2 3.67Å; F13-V54 HydrophobicContact CZ-CG2 4.26Å; F13-C56 HydrophobicContact CE1-CB 4.35Å; F13-C56 WeakPolarHBondContact CE1-SG 3.47Å; F13-C56 HydrophobicContact CZ-CB 4.06Å; F13-Q72 HydrophobicContact CE1-CG 4.13Å; F13-E362 CarbonylContact O-C 3.6Å; F13-E362 VanDerWaalsContact O-CA 3.26Å; F13-E362 WeakPolarHBondContact O-CA 3.22Å; F13-E362 WeakPolarHBondContact O-CB 3.49Å; F13-I363 HydrophobicContact CB-CB 4.05Å; F13-I363 HydrophobicContact CB-CD1 4.36Å; F13-I363 HydrophobicContact CB-CG1 4.42Å; F13-I363 HydrophobicContact CD2-CB 3.95Å; F13-I363 HydrophobicContact CD2-CD1 4Å; F13-I363 HydrophobicContact CD2-CG2 4.11Å; F13-I363 HydrophobicContact CG-CB 4.49Å; F13-I363 HydrophobicContact CG-CD1 4.48Å; F13-I363 PolarHBondContact N-O 3.41Å; F13-I363 PolarHBondContact O-N 3.07Å |
| 14 | Q | 97.3 | Very high | 94.8 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.9 | 175.9 | -73.2 | -173.7 | -34.3 | 0 | 0 | 109.5 | Y21 E362 | Q14-Y21 WeakPolarHBondContact O-CD2 3.29Å; Q14-Y21 VanDerWaalsContact O-CE2 3.22Å; Q14-Y21 WeakPolarHBondContact O-CE2 3.48Å; Q14-E362 HydrophobicContact CG-CB 4.22Å |
| 15 | S | 93.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | trans | -66.3 | 138.9 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | H19 A20 Y21 Y360 E361 | S15-H19 WeakPolarHBondContact CA-O 3.37Å; S15-A20 WeakPolarHBondContact OG-CA 3.33Å; S15-Y21 PolarHBondContact OG-N 3.29Å; S15-Y360 PolarHBondContact OG-O 2.94Å; S15-E361 WeakPolarHBondContact CB-O 3.38Å; S15-E361 PolarHBondContact N-O 2.83Å; S15-E361 PolarHBondContact OG-O 3.33Å | ||
| 16 | G | 89.3 | Confident | 95.8 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | trans | -130.5 | -167.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | A18 H19 | G16-A18 PolarHBondContact O-N 3.16Å; G16-H19 PolarHBondContact N-O 3.2Å | ||
| 17 | A | 81.3 | Confident | 96 | Very high | 120 Ų | 120 | 39.9 Ų | 39.9 | 99% | 0.992 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -62.7 | -25.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 18 | A | 87.1 | Confident | 96.2 | Very high | 70 Ų | 70 | 38.8 Ų | 38.8 | 58% | 0.579 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -92.6 | -39.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G16 | G16-A18 PolarHBondContact O-N 3.16Š|
| 19 | H | 94.5 | Very high | 96.2 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | trans | -145.3 | 150.3 | -173.4 | -56.7 | -74.4 | 0 | 0 | 0 | 111.6 | S15 G16 Y21 Q41 R42 E51 | S15-H19 WeakPolarHBondContact CA-O 3.37Å; G16-H19 PolarHBondContact N-O 3.2Å; H19-Y21 HydrophobicContact CB-CE2 4.44Å; H19-Q41 HydrophobicContact CB-CG 3.98Å; H19-Q41 PolarHBondContact CD2-NE2 2.87Å; H19-Q41 PolarHBondContact CE1-NE2 2.91Å; H19-Q41 VanDerWaalsContact CG-NE2 3.3Å; H19-Q41 PolarHBondContact ND1-NE2 2.96Å; H19-Q41 PolarHBondContact NE2-NE2 3.47Å; H19-R42 CarbonylContact C-O 3.58Å; H19-R42 VanDerWaalsContact CA-O 3.25Å; H19-R42 WeakPolarHBondContact CA-O 3.34Å; H19-E51 IonicContact CE1-OE2 2.8Å; H19-E51 IonicContact ND1-OE2 3.87Å | ||
| 20 | A | 97.2 | Very high | 96 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 150.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S15 R42 K45 | S15-A20 WeakPolarHBondContact OG-CA 3.33Å; A20-R42 HydrophobicContact CB-CB 4.47Å; A20-R42 PolarHBondContact N-O 2.79Å; A20-R42 PolarHBondContact O-N 3.29Å; A20-K45 HydrophobicContact CB-CG 4.39Å |
| 21 | Y | 98.6 | Very high | 95.8 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.4 | 178.3 | -59.9 | -80.4 | 0 | 0 | 0 | 111.1 | F13 Q14 S15 H19 E40 Q41 V54 Q72 | F13-Y21 HydrophobicContact CB-CD1 4.42Å; F13-Y21 HydrophobicContact CB-CD2 4.09Å; F13-Y21 HydrophobicContact CB-CG 3.85Å; F13-Y21 HydrophobicContact CD1-CD1 4.25Å; F13-Y21 HydrophobicContact CD1-CG 4.48Å; F13-Y21 HydrophobicContact CG-CG 4.44Å; Q14-Y21 WeakPolarHBondContact O-CD2 3.29Å; Q14-Y21 VanDerWaalsContact O-CE2 3.22Å; Q14-Y21 WeakPolarHBondContact O-CE2 3.48Å; S15-Y21 PolarHBondContact OG-N 3.29Å; H19-Y21 HydrophobicContact CB-CE2 4.44Å; Y21-E40 WeakPolarHBondContact CA-O 3.49Å; Y21-Q41 HydrophobicContact CD1-CB 4.29Å; Y21-Q41 HydrophobicContact CE1-CB 3.96Å; Y21-Q41 HydrophobicContact CE1-CG 3.92Å; Y21-V54 HydrophobicContact CD1-CG2 3.93Å; Y21-V54 HydrophobicContact CE1-CG2 3.87Å; Y21-Q72 PolarHBondContact OH-NE2 3.18Å; Y21-Q72 PolarHBondContact OH-OE1 2.94Å |
| 22 | R | 98.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 171.1 | -179 | -76.9 | -157.1 | 63 | -145.4 | -6.1 | 111 | E40 R42 D47 E356 | R22-E40 PolarHBondContact N-O 2.83Å; R22-E40 WeakPolarHBondContact O-CB 3.48Å; R22-E40 PolarHBondContact O-N 2.96Å; R22-R42 VanDerWaalsContact CB-CZ 3.46Å; R22-D47 IonicContact NH1-OD1 3.84Å; R22-D47 PolarHBondContact NH1-OD1 3.23Å; R22-D47 VanDerWaalsContact NH1-OD1 3.12Å; R22-E356 VanDerWaalsContact CA-OE1 3.26Å; R22-E356 WeakPolarHBondContact CA-OE1 3.35Å; R22-E356 WeakPolarHBondContact CB-OE1 3.24Å; R22-E356 WeakPolarHBondContact CG-OE1 3.1Å; R22-E356 IonicContact CZ-OE1 3.37Å; R22-E356 IonicContact CZ-OE2 2.76Å; R22-E356 IonicContact NE-OE1 3.69Å; R22-E356 PolarHBondContact NE-OE1 2.69Å; R22-E356 IonicContact NE-OE2 3.58Å; R22-E356 IonicContact NH2-OE1 3.96Å; R22-E356 PolarHBondContact NH2-OE1 2.86Å; R22-E356 IonicContact NH2-OE2 3.71Å; R22-E356 PolarHBondContact NH2-OE2 2.83Å; R22-E356 VanDerWaalsContact NH2-OE2 3.09Å |
| 23 | I | 98.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.5 | 71.6 | 175.6 | -44.8 | -54.6 | 0 | 0 | 0 | 111.6 | E40 P88 P162 Y335 E356 | I23-E40 HydrophobicContact CB-CG 4.06Å; I23-E40 HydrophobicContact CG1-CG 4.29Å; I23-E40 WeakPolarHBondContact CG1-OE1 3.42Å; I23-P88 WeakPolarHBondContact O-CG 3.43Å; I23-P162 HydrophobicContact CG2-CB 3.27Å; I23-P162 HydrophobicContact CG2-CG 3.59Å; I23-Y335 HydrophobicContact CD1-CD2 3.59Å; I23-Y335 HydrophobicContact CD1-CE2 3.62Å; I23-Y335 HydrophobicContact CD1-CG 4.36Å; I23-E356 PolarHBondContact N-OE1 3.31Å |
| 24 | P | 98.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 141.9 | 178.9 | 27.4 | -33.7 | 0 | 0 | 0 | 111.3 | F38 L354 E356 I363 | P24-F38 WeakPolarHBondContact CA-O 3.48Å; P24-L354 HydrophobicContact CB-CB 4.05Å; P24-L354 HydrophobicContact CB-CD2 3.54Å; P24-L354 HydrophobicContact CB-CG 3.7Å; P24-E356 HydrophobicContact CG-CG 4.27Å; P24-I363 HydrophobicContact CB-CD1 4.44Å; P24-I363 HydrophobicContact CB-CG2 3.91Å |
| 25 | A | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 136.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F38 P88 P90 D337 | A25-F38 HydrophobicContact CB-CB 4.27Å; A25-F38 PolarHBondContact N-O 2.84Å; A25-F38 PolarHBondContact O-N 2.86Å; A25-P88 HydrophobicContact CB-CB 4.15Å; A25-P88 HydrophobicContact CB-CG 4.08Å; A25-P88 VanDerWaalsContact CB-O 3.26Å; A25-P88 WeakPolarHBondContact CB-O 3.31Å; A25-P90 VanDerWaalsContact CB-CD 3.49Å; A25-P90 HydrophobicContact CB-CG 3.92Å; A25-D337 VanDerWaalsContact CA-OD2 3.28Å; A25-D337 WeakPolarHBondContact CA-OD2 3.38Å |
| 26 | L | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.3 | -174.3 | -171.4 | 68.4 | 0 | 0 | 0 | 109.4 | L35 L36 A37 W69 D337 Q339 L354 F365 | L26-L35 HydrophobicContact CD1-CB 4.24Å; L26-L35 HydrophobicContact CD1-CD2 4.01Å; L26-L35 HydrophobicContact CD2-CD2 4.22Å; L26-L35 HydrophobicContact CG-CD2 4.02Å; L26-L36 WeakPolarHBondContact CA-O 3.39Å; L26-A37 HydrophobicContact CD1-CB 4.08Å; L26-W69 HydrophobicContact CD1-CH2 4.13Å; L26-D337 HydrophobicContact CB-CB 4.4Å; L26-D337 PolarHBondContact N-OD2 3.46Å; L26-Q339 HydrophobicContact CB-CG 4.05Å; L26-Q339 HydrophobicContact CD2-CB 4.07Å; L26-Q339 HydrophobicContact CD2-CG 4Å; L26-Q339 HydrophobicContact CG-CB 4.37Å; L26-Q339 HydrophobicContact CG-CG 3.8Å; L26-Q339 VanDerWaalsContact O-CD 3.26Å; L26-Q339 WeakPolarHBondContact O-CG 3.47Å; L26-Q339 PolarHBondContact O-NE2 3.3Å; L26-L354 HydrophobicContact CB-CB 4.1Å; L26-L354 HydrophobicContact CD2-CB 4.35Å; L26-F365 HydrophobicContact CD2-CE2 4.31Å |
| 27 | L | 98.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.6 | 176.4 | -179.7 | 68.3 | 0 | 0 | 0 | 110.6 | L29 L35 L36 P90 L99 | L27-L29 HydrophobicContact CD2-CD2 4.23Å; L27-L29 HydrophobicContact CG-CD2 4.39Å; L27-L35 CarbonylContact O-C 3.57Å; L27-L35 WeakPolarHBondContact O-CA 3.48Å; L27-L36 HydrophobicContact CB-CB 4.46Å; L27-L36 PolarHBondContact N-O 3.34Å; L27-L36 PolarHBondContact O-N 3.15Å; L27-P90 HydrophobicContact CB-CB 3.95Å; L27-P90 HydrophobicContact CB-CG 3.94Å; L27-P90 HydrophobicContact CD2-CB 3.9Å; L27-P90 HydrophobicContact CG-CB 4.46Å; L27-L99 HydrophobicContact CD2-CD1 3.17Å |
| 28 | Y | 98.7 | Very high | 97.2 | Very high | 28 Ų | 28 | 26.1 Ų | 26.1 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.9 | 174.8 | -176.2 | -122.8 | 0 | 0 | 0 | 111.7 | P30 L35 S340 M341 | Y28-P30 HydrophobicContact CD1-CB 4.3Å; Y28-P30 HydrophobicContact CE1-CB 3.91Å; Y28-P30 WeakPolarHBondContact O-CD 3.3Å; Y28-L35 HydrophobicContact CD2-CD2 3.75Å; Y28-L35 HydrophobicContact CD2-CG 3.99Å; Y28-L35 HydrophobicContact CG-CD2 4.18Å; Y28-S340 WeakPolarHBondContact CD1-O 3.4Å; Y28-M341 HydrophobicContact CD1-CB 4.46Å; Y28-M341 HydrophobicContact CD2-CG 4.27Å; Y28-M341 HydrophobicContact CE1-CB 4.31Å; Y28-M341 HydrophobicContact CE2-CE 4.37Å; Y28-M341 HydrophobicContact CG-CG 4.26Å |
| 29 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 97.3 | 174.6 | -57.6 | -175.6 | 0 | 0 | 0 | 108.7 | L27 G31 Q32 Q33 T34 L36 Y92 H133 | L27-L29 HydrophobicContact CD2-CD2 4.23Å; L27-L29 HydrophobicContact CG-CD2 4.39Å; L29-G31 PolarHBondContact O-N 3.29Å; L29-Q32 HydrophobicContact CB-CB 4.24Å; L29-Q32 PolarHBondContact O-N 2.99Å; L29-Q33 PolarHBondContact O-N 3Å; L29-T34 WeakPolarHBondContact CB-O 3.47Å; L29-T34 PolarHBondContact N-O 3.16Å; L29-T34 PolarHBondContact O-N 3.48Å; L29-L36 HydrophobicContact CD1-CD1 4.02Å; L29-L36 HydrophobicContact CD1-CG 4.25Å; L29-L36 HydrophobicContact CG-CD1 4.42Å; L29-L36 HydrophobicContact CG-CG 4.49Å; L29-Y92 HydrophobicContact CD2-CD1 4.03Å; L29-Y92 HydrophobicContact CD2-CD2 3.56Å; L29-Y92 HydrophobicContact CD2-CE2 4.11Å; L29-Y92 HydrophobicContact CD2-CG 3.5Å; L29-H133 HydrophobicContact CD1-CB 3.85Å |
| 30 | P | 94 | Very high | 97.9 | Very high | 74 Ų | 74 | 19.8 Ų | 19.8 | 48% | 0.481 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -65.2 | -37.3 | -168.7 | 23.3 | -33.6 | 0 | 0 | 0 | 113.4 | Y28 Q32 Q33 | Y28-P30 HydrophobicContact CD1-CB 4.3Å; Y28-P30 HydrophobicContact CE1-CB 3.91Å; Y28-P30 WeakPolarHBondContact O-CD 3.3Å; P30-Q32 PolarHBondContact O-N 3.1Å; P30-Q33 PolarHBondContact O-N 2.62Å |
| 31 | G | 94.1 | Very high | 98 | Very high | 70 Ų | 70 | 20.2 Ų | 20.2 | 72% | 0.722 | 12% | 0.12 | S | C | * | . | G | 310 helix | trans | -65 | -26.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L29 | L29-G31 PolarHBondContact O-N 3.29Š|
| 32 | Q | 95 | Very high | 98 | Very high | 66 Ų | 66 | 19.2 Ų | 19.2 | 31% | 0.308 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -104.9 | -7 | -176.4 | -66.6 | 69.1 | 20.9 | 0 | 0 | 111.7 | L29 P30 T34 H133 | L29-Q32 HydrophobicContact CB-CB 4.24Å; L29-Q32 PolarHBondContact O-N 2.99Å; P30-Q32 PolarHBondContact O-N 3.1Å; Q32-T34 PolarHBondContact O-N 3.43Å; Q32-T34 VanDerWaalsContact O-N 3.16Å; Q32-T34 PolarHBondContact O-OG1 2.86Å; Q32-H133 PolarHBondContact NE2-CE1 3.3Å; Q32-H133 PolarHBondContact NE2-NE2 3.45Å; Q32-H133 VanDerWaalsContact NE2-NE2 3.11Å |
| 33 | Q | 96.4 | Very high | 97.9 | Very high | 86 Ų | 86 | 21.1 Ų | 21.1 | 40% | 0.402 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | 44.9 | -168.8 | -58 | -175.4 | 22.6 | 0 | 0 | 111.5 | L29 P30 Y60 | L29-Q33 PolarHBondContact O-N 3Å; P30-Q33 PolarHBondContact O-N 2.62Å; Q33-Y60 WeakPolarHBondContact O-CB 3.49Å; Q33-Y60 PolarHBondContact O-N 3.1Å |
| 34 | T | 97.9 | Very high | 97.7 | Very high | 32 Ų | 32 | 22.9 Ų | 22.9 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135 | -173.8 | -63.9 | 0 | 0 | 0 | 0 | 109.6 | L29 Q32 L36 G58 | L29-T34 WeakPolarHBondContact CB-O 3.47Å; L29-T34 PolarHBondContact N-O 3.16Å; L29-T34 PolarHBondContact O-N 3.48Å; Q32-T34 PolarHBondContact O-N 3.43Å; Q32-T34 VanDerWaalsContact O-N 3.16Å; Q32-T34 PolarHBondContact O-OG1 2.86Å; T34-L36 HydrophobicContact CG2-CD2 4.23Å; T34-G58 CarbonylContact C-O 3.57Å; T34-G58 WeakPolarHBondContact CA-O 3.4Å |
| 35 | L | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 141.5 | 168.8 | -72.1 | 164.3 | 0 | 0 | 0 | 110.2 | L26 L27 Y28 G58 V67 W69 Q339 M341 F365 | L26-L35 HydrophobicContact CD1-CB 4.24Å; L26-L35 HydrophobicContact CD1-CD2 4.01Å; L26-L35 HydrophobicContact CD2-CD2 4.22Å; L26-L35 HydrophobicContact CG-CD2 4.02Å; L27-L35 CarbonylContact O-C 3.57Å; L27-L35 WeakPolarHBondContact O-CA 3.48Å; Y28-L35 HydrophobicContact CD2-CD2 3.75Å; Y28-L35 HydrophobicContact CD2-CG 3.99Å; Y28-L35 HydrophobicContact CG-CD2 4.18Å; L35-G58 PolarHBondContact N-O 2.59Å; L35-G58 PolarHBondContact O-N 2.77Å; L35-V67 HydrophobicContact CD1-CG1 4.18Å; L35-V67 HydrophobicContact CD1-CG2 3.86Å; L35-W69 HydrophobicContact CB-CH2 3.68Å; L35-W69 HydrophobicContact CB-CZ2 4.43Å; L35-W69 HydrophobicContact CB-CZ3 4.22Å; L35-W69 HydrophobicContact CD1-CH2 4.25Å; L35-W69 HydrophobicContact CD1-CZ2 4.25Å; L35-Q339 HydrophobicContact CD2-CB 4.49Å; L35-M341 HydrophobicContact CD1-CE 3.68Å; L35-M341 HydrophobicContact CD1-SD 3.98Å; L35-M341 HydrophobicContact CD2-CG 4.48Å; L35-M341 HydrophobicContact CD2-SD 4.4Å; L35-M341 HydrophobicContact CG-CE 4.2Å; L35-F365 HydrophobicContact CD1-CE2 3.62Å; L35-F365 HydrophobicContact CD1-CZ 3.59Å |
| 36 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.8 | 169 | -56 | -177 | 0 | 0 | 0 | 107.4 | L26 L27 L29 T34 F38 L55 R57 L99 | L26-L36 WeakPolarHBondContact CA-O 3.39Å; L27-L36 HydrophobicContact CB-CB 4.46Å; L27-L36 PolarHBondContact N-O 3.34Å; L27-L36 PolarHBondContact O-N 3.15Å; L29-L36 HydrophobicContact CD1-CD1 4.02Å; L29-L36 HydrophobicContact CD1-CG 4.25Å; L29-L36 HydrophobicContact CG-CD1 4.42Å; L29-L36 HydrophobicContact CG-CG 4.49Å; T34-L36 HydrophobicContact CG2-CD2 4.23Å; L36-F38 HydrophobicContact CB-CD2 4.33Å; L36-F38 HydrophobicContact CB-CE2 3.53Å; L36-F38 HydrophobicContact CB-CZ 3.99Å; L36-F38 HydrophobicContact CD1-CE2 4.34Å; L36-F38 HydrophobicContact CD1-CZ 4.2Å; L36-L55 HydrophobicContact CB-CD1 3.75Å; L36-L55 HydrophobicContact CD2-CD1 4.14Å; L36-L55 HydrophobicContact CG-CD1 4.47Å; L36-R57 HydrophobicContact CD2-CB 4.33Å; L36-R57 HydrophobicContact CD2-CG 3.7Å; L36-L99 HydrophobicContact CD1-CD1 4.06Å; L36-L99 HydrophobicContact CD1-CD2 3.39Å; L36-L99 HydrophobicContact CD1-CG 4.4Å |
| 37 | A | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 117 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | F13 L26 L55 C56 W69 L354 | F13-A37 HydrophobicContact CE2-CB 4.12Å; F13-A37 HydrophobicContact CZ-CB 4.47Å; F13-A37 WeakPolarHBondContact CZ-O 3.4Å; L26-A37 HydrophobicContact CD1-CB 4.08Å; A37-L55 CarbonylContact O-C 3.56Å; A37-L55 WeakPolarHBondContact O-CA 3.13Å; A37-C56 HydrophobicContact CB-CB 4.45Å; A37-C56 PolarHBondContact N-O 3.35Å; A37-C56 PolarHBondContact O-N 2.64Å; A37-W69 HydrophobicContact CB-CE3 4.37Å; A37-W69 HydrophobicContact CB-CH2 3.61Å; A37-W69 HydrophobicContact CB-CZ3 3.46Å; A37-W69 VanDerWaalsContact CB-CZ3 3.46Å; A37-L354 HydrophobicContact CB-CD1 4.45Å; A37-L354 HydrophobicContact CB-CD2 3.9Å |
| 38 | F | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 151.3 | 176.4 | -57.7 | -93.8 | 0 | 0 | 0 | 110.6 | P24 A25 L36 I53 V54 L55 V75 P88 P90 L101 W137 | P24-F38 WeakPolarHBondContact CA-O 3.48Å; A25-F38 HydrophobicContact CB-CB 4.27Å; A25-F38 PolarHBondContact N-O 2.84Å; A25-F38 PolarHBondContact O-N 2.86Å; L36-F38 HydrophobicContact CB-CD2 4.33Å; L36-F38 HydrophobicContact CB-CE2 3.53Å; L36-F38 HydrophobicContact CB-CZ 3.99Å; L36-F38 HydrophobicContact CD1-CE2 4.34Å; L36-F38 HydrophobicContact CD1-CZ 4.2Å; F38-I53 HydrophobicContact CB-CG2 4.32Å; F38-I53 HydrophobicContact CD1-CG2 4.03Å; F38-V54 VanDerWaalsContact CA-O 3.24Å; F38-V54 WeakPolarHBondContact CA-O 3.32Å; F38-L55 HydrophobicContact CD1-CB 4.07Å; F38-L55 HydrophobicContact CD1-CD1 4.01Å; F38-L55 HydrophobicContact CD2-CD1 4.39Å; F38-L55 HydrophobicContact CE1-CB 4.08Å; F38-L55 HydrophobicContact CE1-CD1 3.74Å; F38-L55 HydrophobicContact CE1-CD2 4.15Å; F38-L55 HydrophobicContact CE1-CG 4.2Å; F38-L55 HydrophobicContact CE2-CD1 4.14Å; F38-L55 HydrophobicContact CG-CD1 4.34Å; F38-L55 HydrophobicContact CZ-CD1 3.8Å; F38-L55 HydrophobicContact CZ-CD2 4.45Å; F38-V75 HydrophobicContact CD1-CG2 4.36Å; F38-V75 HydrophobicContact CE1-CG2 4.22Å; F38-P88 HydrophobicContact CB-CB 3.91Å; F38-P88 HydrophobicContact CB-CG 4.3Å; F38-P90 HydrophobicContact CD2-CB 4Å; F38-P90 HydrophobicContact CD2-CG 3.99Å; F38-P90 HydrophobicContact CE2-CB 3.66Å; F38-P90 HydrophobicContact CE2-CG 4.12Å; F38-P90 HydrophobicContact CZ-CB 4.42Å; F38-L101 HydrophobicContact CD1-CD1 4.14Å; F38-L101 HydrophobicContact CD1-CD2 4.15Å; F38-L101 HydrophobicContact CE1-CD1 4.19Å; F38-L101 HydrophobicContact CE1-CD2 3.93Å; F38-L101 HydrophobicContact CG-CD1 4.41Å; F38-W137 HydrophobicContact CE1-CH2 4.05Å; F38-W137 AromaticContact CE1-CZ2 3.89Å; F38-W137 HydrophobicContact CE1-CZ2 3.89Å; F38-W137 AromaticContact CZ-CH2 3.96Å; F38-W137 HydrophobicContact CZ-CH2 3.96Å; F38-W137 HydrophobicContact CZ-CZ2 4.03Å |
| 39 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 158.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F13 I53 V54 I363 | F13-A39 HydrophobicContact CD2-CB 3.84Å; F13-A39 HydrophobicContact CE1-CB 4.45Å; F13-A39 HydrophobicContact CE2-CB 3.77Å; F13-A39 HydrophobicContact CG-CB 4.23Å; F13-A39 HydrophobicContact CZ-CB 4.09Å; A39-I53 WeakPolarHBondContact O-CA 3.36Å; A39-V54 HydrophobicContact CB-CG2 4.1Å; A39-V54 PolarHBondContact N-O 2.75Å; A39-V54 VanDerWaalsContact N-O 3.12Å; A39-V54 WeakPolarHBondContact O-CG2 3.22Å; A39-V54 PolarHBondContact O-N 3.43Å; A39-I363 HydrophobicContact CB-CD1 3.54Å |
| 40 | E | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 127.2 | 162.6 | -67.8 | 177.8 | -159 | 0 | 0 | 109.7 | Y21 R22 I23 R42 A50 M86 N87 | Y21-E40 WeakPolarHBondContact CA-O 3.49Å; R22-E40 PolarHBondContact N-O 2.83Å; R22-E40 WeakPolarHBondContact O-CB 3.48Å; R22-E40 PolarHBondContact O-N 2.96Å; I23-E40 HydrophobicContact CB-CG 4.06Å; I23-E40 HydrophobicContact CG1-CG 4.29Å; I23-E40 WeakPolarHBondContact CG1-OE1 3.42Å; E40-R42 HydrophobicContact CB-CG 4.08Å; E40-R42 IonicContact OE1-NH2 3.12Å; E40-R42 IonicContact OE2-CZ 2.77Å; E40-R42 IonicContact OE2-NE 2.68Å; E40-R42 PolarHBondContact OE2-NE 3.36Å; E40-R42 IonicContact OE2-NH2 2.97Å; E40-R42 PolarHBondContact OE2-NH2 2.86Å; E40-A50 WeakPolarHBondContact OE2-CB 3.46Å; E40-M86 VanDerWaalsContact OE1-CA 3.24Å; E40-M86 WeakPolarHBondContact OE1-CA 3.19Å; E40-M86 WeakPolarHBondContact OE1-CB 3.41Å; E40-N87 PolarHBondContact OE1-N 2.84Å |
| 41 | Q | 98.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.7 | 162.5 | -177.9 | -179.1 | 24.1 | 0 | 0 | 108.6 | H19 Y21 E51 L52 V54 | H19-Q41 HydrophobicContact CB-CG 3.98Å; H19-Q41 PolarHBondContact CD2-NE2 2.87Å; H19-Q41 PolarHBondContact CE1-NE2 2.91Å; H19-Q41 VanDerWaalsContact CG-NE2 3.3Å; H19-Q41 PolarHBondContact ND1-NE2 2.96Å; H19-Q41 PolarHBondContact NE2-NE2 3.47Å; Y21-Q41 HydrophobicContact CD1-CB 4.29Å; Y21-Q41 HydrophobicContact CE1-CB 3.96Å; Y21-Q41 HydrophobicContact CE1-CG 3.92Å; Q41-E51 PolarHBondContact O-N 2.99Å; Q41-L52 PolarHBondContact N-O 2.81Å; Q41-L52 PolarHBondContact O-N 3.08Å; Q41-V54 HydrophobicContact CB-CG1 3.79Å; Q41-V54 HydrophobicContact CB-CG2 4.44Å; Q41-V54 HydrophobicContact CG-CG1 4.44Å |
| 42 | R | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 150.8 | -173.4 | -45.5 | -171.5 | 167.3 | 179.9 | -6.3 | 111.1 | H19 A20 R22 E40 S44 K45 D47 H49 A50 | H19-R42 CarbonylContact C-O 3.58Å; H19-R42 VanDerWaalsContact CA-O 3.25Å; H19-R42 WeakPolarHBondContact CA-O 3.34Å; A20-R42 HydrophobicContact CB-CB 4.47Å; A20-R42 PolarHBondContact N-O 2.79Å; A20-R42 PolarHBondContact O-N 3.29Å; R22-R42 VanDerWaalsContact CB-CZ 3.46Å; E40-R42 HydrophobicContact CB-CG 4.08Å; E40-R42 IonicContact OE1-NH2 3.12Å; E40-R42 IonicContact OE2-CZ 2.77Å; E40-R42 IonicContact OE2-NE 2.68Å; E40-R42 PolarHBondContact OE2-NE 3.36Å; E40-R42 IonicContact OE2-NH2 2.97Å; E40-R42 PolarHBondContact OE2-NH2 2.86Å; R42-S44 VanDerWaalsContact C-N 3.28Å; R42-S44 WeakPolarHBondContact CB-O 3.45Å; R42-S44 PolarHBondContact O-N 3.26Å; R42-K45 PolarHBondContact NH1-O 3.4Å; R42-D47 IonicContact CZ-OD1 3.42Å; R42-D47 IonicContact NH1-OD1 3.86Å; R42-D47 PolarHBondContact NH1-OD1 2.75Å; R42-D47 IonicContact NH2-OD1 4Å; R42-H49 CarbonylContact C-O 3.58Å; R42-H49 VanDerWaalsContact CA-O 3.29Å; R42-H49 WeakPolarHBondContact CA-O 3.39Å; R42-H49 WeakPolarHBondContact CB-O 3.32Å; R42-A50 HydrophobicContact CG-CB 4.16Å |
| 43 | A | 96.9 | Very high | 97.2 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 45% | 0.446 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -71.7 | -23.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H49 | A43-H49 HydrophobicContact CB-CB 4.35Å; A43-H49 PolarHBondContact N-O 3.2Å |
| 44 | S | 95.8 | Very high | 97.3 | Very high | 41 Ų | 41 | 30.3 Ų | 30.3 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -156.7 | -178.6 | 168.2 | 88.3 | 0 | 0 | 0 | 0 | 111.5 | R42 K46 H49 | R42-S44 VanDerWaalsContact C-N 3.28Å; R42-S44 WeakPolarHBondContact CB-O 3.45Å; R42-S44 PolarHBondContact O-N 3.26Å; S44-K46 PolarHBondContact O-N 3.44Å; S44-K46 VanDerWaalsContact O-N 3.12Å; S44-K46 PolarHBondContact OG-N 3.48Å; S44-H49 PolarHBondContact OG-ND1 3.41Å |
| 45 | K | 95.3 | Very high | 97.3 | Very high | 71 Ų | 71 | 29 Ų | 29 | 31% | 0.309 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -63.2 | -15.5 | -180 | -58.5 | -175.9 | -174.2 | -173.4 | 0 | 114.1 | A20 R42 D359 E361 | A20-K45 HydrophobicContact CB-CG 4.39Å; R42-K45 PolarHBondContact NH1-O 3.4Å; K45-D359 VanDerWaalsContact CE-O 3.31Å; K45-D359 WeakPolarHBondContact CE-O 3.44Å; K45-D359 PolarHBondContact NZ-O 3Å; K45-D359 IonicContact NZ-OD2 3.32Å; K45-D359 PolarHBondContact NZ-OD2 3.29Å; K45-E361 IonicContact NZ-OE1 2.86Å; K45-E361 PolarHBondContact NZ-OE1 2.77Å |
| 46 | K | 95.5 | Very high | 97.3 | Very high | 116 Ų | 116 | 29.1 Ų | 29.1 | 50% | 0.504 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -68.7 | 146.9 | 179.7 | -65.3 | -172.2 | -179 | -177 | 0 | 111.8 | S44 H49 | S44-K46 PolarHBondContact O-N 3.44Å; S44-K46 VanDerWaalsContact O-N 3.12Å; S44-K46 PolarHBondContact OG-N 3.48Å; K46-H49 HydrophobicContact CB-CB 4.33Å; K46-H49 PolarHBondContact O-N 3.43Å |
| 47 | D | 93.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 30.6 Ų | 30.6 | 43% | 0.428 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -72.5 | -39.3 | -174 | -62.7 | -29.9 | 0 | 0 | 0 | 112.1 | R22 R42 H49 A50 M86 | R22-D47 IonicContact NH1-OD1 3.84Å; R22-D47 PolarHBondContact NH1-OD1 3.23Å; R22-D47 VanDerWaalsContact NH1-OD1 3.12Å; R42-D47 IonicContact CZ-OD1 3.42Å; R42-D47 IonicContact NH1-OD1 3.86Å; R42-D47 PolarHBondContact NH1-OD1 2.75Å; R42-D47 IonicContact NH2-OD1 4Å; D47-H49 PolarHBondContact O-N 2.82Å; D47-H49 VanDerWaalsContact O-N 3.13Å; D47-A50 PolarHBondContact O-N 2.87Å; D47-M86 HydrophobicContact CB-CE 4.14Å; D47-M86 VanDerWaalsContact O-CE 3.28Å; D47-M86 WeakPolarHBondContact O-CE 3.38Å |
| 48 | E | 94.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 30.6 Ų | 30.6 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -71 | -3.1 | 176.5 | 70.1 | -86.4 | -157.9 | 0 | 0 | 114.4 | T111 | E48-T111 HydrophobicContact CB-CG2 3.94Å; E48-T111 HydrophobicContact CG-CG2 3.99Å |
| 49 | H | 95.7 | Very high | 97.2 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 20% | 0.204 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -100.1 | 8.6 | 175.3 | -67.7 | -175.7 | 0 | 0 | 0 | 113.2 | R42 A43 S44 K46 D47 | R42-H49 CarbonylContact C-O 3.58Å; R42-H49 VanDerWaalsContact CA-O 3.29Å; R42-H49 WeakPolarHBondContact CA-O 3.39Å; R42-H49 WeakPolarHBondContact CB-O 3.32Å; A43-H49 HydrophobicContact CB-CB 4.35Å; A43-H49 PolarHBondContact N-O 3.2Å; S44-H49 PolarHBondContact OG-ND1 3.41Å; K46-H49 HydrophobicContact CB-CB 4.33Å; K46-H49 PolarHBondContact O-N 3.43Å; D47-H49 PolarHBondContact O-N 2.82Å; D47-H49 VanDerWaalsContact O-N 3.13Å |
| 50 | A | 96.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 148.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E40 R42 D47 R84 M86 | E40-A50 WeakPolarHBondContact OE2-CB 3.46Å; R42-A50 HydrophobicContact CG-CB 4.16Å; D47-A50 PolarHBondContact O-N 2.87Å; A50-R84 WeakPolarHBondContact O-CB 3.48Å; A50-R84 WeakPolarHBondContact O-CD 3.11Å; A50-M86 HydrophobicContact CB-CE 4.2Å; A50-M86 HydrophobicContact CB-CG 3.55Å; A50-M86 HydrophobicContact CB-SD 4.08Å |
| 51 | E | 96.5 | Very high | 96.8 | Very high | 81 Ų | 81 | 35.6 Ų | 35.6 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | -62.5 | -178.8 | -60.8 | -177.6 | 132.3 | 0 | 0 | 109.7 | H19 Q41 S85 | H19-E51 IonicContact CE1-OE2 2.8Å; H19-E51 IonicContact ND1-OE2 3.87Å; Q41-E51 PolarHBondContact O-N 2.99Å; E51-S85 PolarHBondContact O-N 2.76Å; E51-S85 VanDerWaalsContact O-N 3.14Å |
| 52 | L | 97.9 | Very high | 96.2 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 164.4 | -167.4 | -61.6 | 169.5 | 0 | 0 | 0 | 111.3 | Q41 V74 Q79 | Q41-L52 PolarHBondContact N-O 2.81Å; Q41-L52 PolarHBondContact O-N 3.08Å; L52-V74 HydrophobicContact CB-CG1 4.26Å; L52-V74 HydrophobicContact CD1-CG1 3.93Å; L52-Q79 HydrophobicContact CD2-CB 4.42Å |
| 53 | I | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.4 | 168.7 | -64 | 168 | 0 | 0 | 0 | 108.9 | F38 A39 V75 A78 P88 L101 F103 | F38-I53 HydrophobicContact CB-CG2 4.32Å; F38-I53 HydrophobicContact CD1-CG2 4.03Å; A39-I53 WeakPolarHBondContact O-CA 3.36Å; I53-V75 HydrophobicContact CG2-CG2 4.37Å; I53-V75 PolarHBondContact O-N 3.5Å; I53-A78 HydrophobicContact CD1-CB 4.4Å; I53-P88 HydrophobicContact CD1-CB 4.15Å; I53-P88 HydrophobicContact CG1-CB 4.48Å; I53-P88 HydrophobicContact CG2-CB 4.14Å; I53-L101 HydrophobicContact CD1-CD2 4.48Å; I53-L101 HydrophobicContact CG2-CD2 4.17Å; I53-F103 HydrophobicContact CD1-CB 3.51Å; I53-F103 HydrophobicContact CD1-CD1 4.46Å; I53-F103 HydrophobicContact CD1-CD2 4.43Å; I53-F103 HydrophobicContact CD1-CG 3.93Å |
| 54 | V | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 156.8 | 174.3 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | F13 Y21 F38 A39 Q41 Q72 E73 V74 | F13-V54 HydrophobicContact CD1-CG2 4.18Å; F13-V54 HydrophobicContact CE1-CB 4.47Å; F13-V54 HydrophobicContact CE1-CG2 3.67Å; F13-V54 HydrophobicContact CZ-CG2 4.26Å; Y21-V54 HydrophobicContact CD1-CG2 3.93Å; Y21-V54 HydrophobicContact CE1-CG2 3.87Å; F38-V54 VanDerWaalsContact CA-O 3.24Å; F38-V54 WeakPolarHBondContact CA-O 3.32Å; A39-V54 HydrophobicContact CB-CG2 4.1Å; A39-V54 PolarHBondContact N-O 2.75Å; A39-V54 VanDerWaalsContact N-O 3.12Å; A39-V54 WeakPolarHBondContact O-CG2 3.22Å; A39-V54 PolarHBondContact O-N 3.43Å; Q41-V54 HydrophobicContact CB-CG1 3.79Å; Q41-V54 HydrophobicContact CB-CG2 4.44Å; Q41-V54 HydrophobicContact CG-CG1 4.44Å; V54-Q72 HydrophobicContact CB-CG 3.91Å; V54-Q72 HydrophobicContact CG1-CG 4.28Å; V54-Q72 HydrophobicContact CG2-CG 4.38Å; V54-E73 CarbonylContact C-O 3.6Å; V54-E73 WeakPolarHBondContact CA-O 3.43Å; V54-V74 HydrophobicContact CG1-CG2 4.07Å |
| 55 | L | 98.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.4 | -178.5 | 169 | 62.4 | 0 | 0 | 0 | 110.1 | L36 A37 F38 R57 E73 V75 W137 | L36-L55 HydrophobicContact CB-CD1 3.75Å; L36-L55 HydrophobicContact CD2-CD1 4.14Å; L36-L55 HydrophobicContact CG-CD1 4.47Å; A37-L55 CarbonylContact O-C 3.56Å; A37-L55 WeakPolarHBondContact O-CA 3.13Å; F38-L55 HydrophobicContact CD1-CB 4.07Å; F38-L55 HydrophobicContact CD1-CD1 4.01Å; F38-L55 HydrophobicContact CD2-CD1 4.39Å; F38-L55 HydrophobicContact CE1-CB 4.08Å; F38-L55 HydrophobicContact CE1-CD1 3.74Å; F38-L55 HydrophobicContact CE1-CD2 4.15Å; F38-L55 HydrophobicContact CE1-CG 4.2Å; F38-L55 HydrophobicContact CE2-CD1 4.14Å; F38-L55 HydrophobicContact CG-CD1 4.34Å; F38-L55 HydrophobicContact CZ-CD1 3.8Å; F38-L55 HydrophobicContact CZ-CD2 4.45Å; L55-R57 HydrophobicContact CD1-CG 4.38Å; L55-R57 HydrophobicContact CD2-CG 4.11Å; L55-R57 HydrophobicContact CG-CG 4.14Å; L55-E73 PolarHBondContact N-O 2.91Å; L55-E73 PolarHBondContact O-N 3.44Å; L55-V75 HydrophobicContact CB-CG2 3.76Å; L55-W137 HydrophobicContact CD2-CZ2 4.27Å |
| 56 | C | 98.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.3 | 159.9 | -70.9 | 0 | 0 | 0 | 0 | 108.7 | F13 A37 W69 | F13-C56 HydrophobicContact CE1-CB 4.35Å; F13-C56 WeakPolarHBondContact CE1-SG 3.47Å; F13-C56 HydrophobicContact CZ-CB 4.06Å; A37-C56 HydrophobicContact CB-CB 4.45Å; A37-C56 PolarHBondContact N-O 3.35Å; A37-C56 PolarHBondContact O-N 2.64Å; C56-W69 HydrophobicContact CB-CE3 3.83Å; C56-W69 HydrophobicContact CB-CZ3 4.33Å; C56-W69 WeakPolarHBondContact O-CZ3 3.3Å |
| 57 | R | 98.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.9 | 175.1 | -62.1 | -174.7 | -66.7 | -113.4 | -13.6 | 109.8 | L36 L55 W69 Q70 E73 G134 | L36-R57 HydrophobicContact CD2-CB 4.33Å; L36-R57 HydrophobicContact CD2-CG 3.7Å; L55-R57 HydrophobicContact CD1-CG 4.38Å; L55-R57 HydrophobicContact CD2-CG 4.11Å; L55-R57 HydrophobicContact CG-CG 4.14Å; R57-W69 WeakPolarHBondContact O-CA 3.43Å; R57-Q70 HydrophobicContact CB-CB 4.49Å; R57-Q70 WeakPolarHBondContact O-CB 3.49Å; R57-Q70 WeakPolarHBondContact O-CG 3.35Å; R57-Q70 PolarHBondContact O-N 2.88Å; R57-E73 IonicContact CZ-OE1 3.09Å; R57-E73 IonicContact CZ-OE2 3.54Å; R57-E73 IonicContact NH1-OE2 2.66Å; R57-E73 PolarHBondContact NH1-OE2 3.3Å; R57-E73 VanDerWaalsContact NH1-OE2 3.08Å; R57-E73 VanDerWaalsContact NH2-CD 3.34Å; R57-E73 IonicContact NH2-OE1 3.55Å; R57-E73 PolarHBondContact NH2-OE1 3.08Å; R57-E73 IonicContact NH2-OE2 3.79Å; R57-E73 PolarHBondContact NH2-OE2 3.25Å; R57-G134 PolarHBondContact NH1-O 3.44Å |
| 58 | G | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T34 L35 Q68 W69 | T34-G58 CarbonylContact C-O 3.57Å; T34-G58 WeakPolarHBondContact CA-O 3.4Å; L35-G58 PolarHBondContact N-O 2.59Å; L35-G58 PolarHBondContact O-N 2.77Å; G58-Q68 WeakPolarHBondContact CA-O 3.37Å; G58-W69 VanDerWaalsContact CA-CE3 3.43Å; G58-W69 VanDerWaalsContact N-CE3 3.33Å |
| 59 | G | 97.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 125.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V67 Q68 | G59-V67 CarbonylContact O-C 3.57Å; G59-V67 WeakPolarHBondContact O-CA 3.05Å; G59-Q68 PolarHBondContact N-O 2.93Å; G59-Q68 PolarHBondContact O-N 3.44Å |
| 60 | Y | 96.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 47 Ų | 47 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 120.5 | 171.6 | 179.9 | -107.9 | 0 | 0 | 0 | 110 | Q33 A62 V67 M341 L350 M367 | Q33-Y60 WeakPolarHBondContact O-CB 3.49Å; Q33-Y60 PolarHBondContact O-N 3.1Å; Y60-A62 HydrophobicContact CE1-CB 4.23Å; Y60-V67 HydrophobicContact CD2-CG2 4Å; Y60-M341 HydrophobicContact CD2-CE 4.13Å; Y60-M341 HydrophobicContact CG-CE 4.37Å; Y60-L350 HydrophobicContact CE2-CD2 4.12Å; Y60-M367 HydrophobicContact CD2-CE 4.34Å; Y60-M367 HydrophobicContact CD2-SD 4Å; Y60-M367 HydrophobicContact CE2-CE 3.89Å; Y60-M367 HydrophobicContact CE2-SD 3.79Å |
| 61 | D | 93.2 | Very high | 95.7 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.3 | 174.6 | 172.6 | 5.5 | 0 | 0 | 0 | 109.3 | S63 T64 R65 Q66 | D61-S63 VanDerWaalsContact CG-OG 3.28Å; D61-S63 PolarHBondContact O-N 2.97Å; D61-S63 WeakPolarHBondContact OD1-CA 3.15Å; D61-S63 VanDerWaalsContact OD1-CB 3.31Å; D61-S63 WeakPolarHBondContact OD1-CB 3.35Å; D61-S63 PolarHBondContact OD1-N 3Å; D61-S63 PolarHBondContact OD1-OG 3.29Å; D61-S63 PolarHBondContact OD2-OG 3.39Å; D61-T64 WeakPolarHBondContact CB-OG1 3.46Å; D61-T64 PolarHBondContact O-N 3.21Å; D61-T64 PolarHBondContact OD1-N 2.95Å; D61-T64 VanDerWaalsContact OD2-CG2 3.26Å; D61-T64 WeakPolarHBondContact OD2-CG2 3.34Å; D61-T64 PolarHBondContact OD2-OG1 2.99Å; D61-R65 VanDerWaalsContact O-CA 3.24Å; D61-R65 WeakPolarHBondContact O-CA 3.5Å; D61-R65 PolarHBondContact O-N 3.12Å; D61-Q66 PolarHBondContact N-O 3.43Å; D61-Q66 PolarHBondContact O-N 3.22Å |
| 62 | A | 86.3 | Confident | 95.8 | Very high | 62 Ų | 62 | 50 Ų | 50 | 51% | 0.512 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -23.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y60 | Y60-A62 HydrophobicContact CE1-CB 4.23Š|
| 63 | S | 88.1 | Confident | 95.8 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 69% | 0.685 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -45.6 | -179.7 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | D61 | D61-S63 VanDerWaalsContact CG-OG 3.28Å; D61-S63 PolarHBondContact O-N 2.97Å; D61-S63 WeakPolarHBondContact OD1-CA 3.15Å; D61-S63 VanDerWaalsContact OD1-CB 3.31Å; D61-S63 WeakPolarHBondContact OD1-CB 3.35Å; D61-S63 PolarHBondContact OD1-N 3Å; D61-S63 PolarHBondContact OD1-OG 3.29Å; D61-S63 PolarHBondContact OD2-OG 3.39Å |
| 64 | T | 90.2 | Very high | 95.8 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -15.6 | 176.5 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | D61 Q66 | D61-T64 WeakPolarHBondContact CB-OG1 3.46Å; D61-T64 PolarHBondContact O-N 3.21Å; D61-T64 PolarHBondContact OD1-N 2.95Å; D61-T64 VanDerWaalsContact OD2-CG2 3.26Å; D61-T64 WeakPolarHBondContact OD2-CG2 3.34Å; D61-T64 PolarHBondContact OD2-OG1 2.99Å; T64-Q66 PolarHBondContact O-N 2.89Å |
| 65 | R | 89.2 | Confident | 95.7 | Very high | 131 Ų | 131 | 55.5 Ų | 55.5 | 49% | 0.494 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 36.8 | -176.8 | -53.1 | 163.7 | 178.2 | -158.5 | -5.1 | 111.5 | D61 P345 M367 | D61-R65 VanDerWaalsContact O-CA 3.24Å; D61-R65 WeakPolarHBondContact O-CA 3.5Å; D61-R65 PolarHBondContact O-N 3.12Å; R65-P345 HydrophobicContact CB-CG 3.95Å; R65-P345 HydrophobicContact CG-CB 4.11Å; R65-P345 HydrophobicContact CG-CG 3.77Å; R65-M367 WeakPolarHBondContact O-CE 3.46Å |
| 66 | Q | 94.2 | Very high | 95.7 | Very high | 94 Ų | 94 | 58 Ų | 58 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 155.1 | -176.7 | -71.6 | -178.1 | -20.7 | 0 | 0 | 110.4 | D61 T64 | D61-Q66 PolarHBondContact N-O 3.43Å; D61-Q66 PolarHBondContact O-N 3.22Å; T64-Q66 PolarHBondContact O-N 2.89Å |
| 67 | V | 97.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.3 | 170.5 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | Q8 L35 G59 Y60 W69 M341 F365 M367 | Q8-V67 PolarHBondContact NE2-O 2.76Å; L35-V67 HydrophobicContact CD1-CG1 4.18Å; L35-V67 HydrophobicContact CD1-CG2 3.86Å; G59-V67 CarbonylContact O-C 3.57Å; G59-V67 WeakPolarHBondContact O-CA 3.05Å; Y60-V67 HydrophobicContact CD2-CG2 4Å; V67-W69 HydrophobicContact CG1-CD2 4.11Å; V67-W69 HydrophobicContact CG1-CG 4.47Å; V67-W69 HydrophobicContact CG1-CH2 4.42Å; V67-W69 HydrophobicContact CG1-CZ2 3.75Å; V67-M341 HydrophobicContact CG2-CE 4.21Å; V67-F365 HydrophobicContact CB-CE1 3.87Å; V67-F365 HydrophobicContact CB-CZ 4.33Å; V67-F365 HydrophobicContact CG2-CE1 3.68Å; V67-F365 HydrophobicContact CG2-CZ 3.73Å; V67-M367 HydrophobicContact CG2-CE 4.38Å; V67-M367 HydrophobicContact CG2-SD 3.9Å |
| 68 | Q | 97.6 | Very high | 95.7 | Very high | 120 Ų | 120 | 60.4 Ų | 60.4 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.2 | 175.2 | -66.4 | -177.5 | -7.4 | 0 | 0 | 109.6 | G58 G59 | G58-Q68 WeakPolarHBondContact CA-O 3.37Å; G59-Q68 PolarHBondContact N-O 2.93Å; G59-Q68 PolarHBondContact O-N 3.44Å |
| 69 | W | 98.3 | Very high | 95.7 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133.2 | -178 | -62 | 88.5 | 0 | 0 | 0 | 111.7 | E10 V12 L26 L35 A37 C56 R57 G58 V67 F365 | E10-W69 PolarHBondContact OE1-NE1 3.19Å; V12-W69 HydrophobicContact CG1-CD2 3.91Å; V12-W69 HydrophobicContact CG1-CG 4.03Å; V12-W69 HydrophobicContact CG1-CZ2 4.19Å; L26-W69 HydrophobicContact CD1-CH2 4.13Å; L35-W69 HydrophobicContact CB-CH2 3.68Å; L35-W69 HydrophobicContact CB-CZ2 4.43Å; L35-W69 HydrophobicContact CB-CZ3 4.22Å; L35-W69 HydrophobicContact CD1-CH2 4.25Å; L35-W69 HydrophobicContact CD1-CZ2 4.25Å; A37-W69 HydrophobicContact CB-CE3 4.37Å; A37-W69 HydrophobicContact CB-CH2 3.61Å; A37-W69 HydrophobicContact CB-CZ3 3.46Å; A37-W69 VanDerWaalsContact CB-CZ3 3.46Å; C56-W69 HydrophobicContact CB-CE3 3.83Å; C56-W69 HydrophobicContact CB-CZ3 4.33Å; C56-W69 WeakPolarHBondContact O-CZ3 3.3Å; R57-W69 WeakPolarHBondContact O-CA 3.43Å; G58-W69 VanDerWaalsContact CA-CE3 3.43Å; G58-W69 VanDerWaalsContact N-CE3 3.33Å; V67-W69 HydrophobicContact CG1-CD2 4.11Å; V67-W69 HydrophobicContact CG1-CG 4.47Å; V67-W69 HydrophobicContact CG1-CH2 4.42Å; V67-W69 HydrophobicContact CG1-CZ2 3.75Å; W69-F365 HydrophobicContact CZ2-CB 4.19Å; W69-F365 AromaticContact CZ2-CD1 3.92Å; W69-F365 HydrophobicContact CZ2-CD1 3.92Å; W69-F365 AromaticContact CZ2-CD2 3.75Å; W69-F365 HydrophobicContact CZ2-CD2 3.75Å; W69-F365 HydrophobicContact CZ2-CE1 4.22Å; W69-F365 HydrophobicContact CZ2-CE2 4.06Å; W69-F365 AromaticContact CZ2-CG 3.66Å; W69-F365 HydrophobicContact CZ2-CG 3.66Å; W69-F365 HydrophobicContact CZ2-CZ 4.29Å; W69-F365 AromaticContact NE1-CD1 3.7Å |
| 70 | Q | 97.8 | Very high | 95.7 | Very high | 100 Ų | 100 | 64 Ų | 64 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 169.3 | 169.3 | -62.2 | 175.7 | 9.6 | 0 | 0 | 110.2 | R57 | R57-Q70 HydrophobicContact CB-CB 4.49Å; R57-Q70 WeakPolarHBondContact O-CB 3.49Å; R57-Q70 WeakPolarHBondContact O-CG 3.35Å; R57-Q70 PolarHBondContact O-N 2.88Å |
| 71 | A | 97.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 69.9 Ų | 69.9 | 66% | 0.661 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 145.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 72 | Q | 97.9 | Very high | 96 | Very high | 70 Ų | 70 | 70.9 Ų | 70.9 | 33% | 0.327 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 137 | 172.5 | 179.8 | -176 | -56.9 | 0 | 0 | 110.9 | F13 Y21 V54 | F13-Q72 HydrophobicContact CE1-CG 4.13Å; Y21-Q72 PolarHBondContact OH-NE2 3.18Å; Y21-Q72 PolarHBondContact OH-OE1 2.94Å; V54-Q72 HydrophobicContact CB-CG 3.91Å; V54-Q72 HydrophobicContact CG1-CG 4.28Å; V54-Q72 HydrophobicContact CG2-CG 4.38Å |
| 73 | E | 97.6 | Very high | 96.6 | Very high | 83 Ų | 83 | 70.3 Ų | 70.3 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.7 | 174.3 | -66.2 | 170.7 | -173.3 | 0 | 0 | 109.7 | V54 L55 R57 | V54-E73 CarbonylContact C-O 3.6Å; V54-E73 WeakPolarHBondContact CA-O 3.43Å; L55-E73 PolarHBondContact N-O 2.91Å; L55-E73 PolarHBondContact O-N 3.44Å; R57-E73 IonicContact CZ-OE1 3.09Å; R57-E73 IonicContact CZ-OE2 3.54Å; R57-E73 IonicContact NH1-OE2 2.66Å; R57-E73 PolarHBondContact NH1-OE2 3.3Å; R57-E73 VanDerWaalsContact NH1-OE2 3.08Å; R57-E73 VanDerWaalsContact NH2-CD 3.34Å; R57-E73 IonicContact NH2-OE1 3.55Å; R57-E73 PolarHBondContact NH2-OE1 3.08Å; R57-E73 IonicContact NH2-OE2 3.79Å; R57-E73 PolarHBondContact NH2-OE2 3.25Å |
| 74 | V | 98.4 | Very high | 97 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 39% | 0.394 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.4 | 169.9 | 175 | 0 | 0 | 0 | 0 | 108.6 | L52 V54 A76 | L52-V74 HydrophobicContact CB-CG1 4.26Å; L52-V74 HydrophobicContact CD1-CG1 3.93Å; V54-V74 HydrophobicContact CG1-CG2 4.07Å; V74-A76 PolarHBondContact O-N 3.47Å |
| 75 | V | 98.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | trans | -79.1 | 76 | 169.8 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | F38 I53 L55 Q77 A78 L101 V128 W137 | F38-V75 HydrophobicContact CD1-CG2 4.36Å; F38-V75 HydrophobicContact CE1-CG2 4.22Å; I53-V75 HydrophobicContact CG2-CG2 4.37Å; I53-V75 PolarHBondContact O-N 3.5Å; L55-V75 HydrophobicContact CB-CG2 3.76Å; V75-Q77 PolarHBondContact O-N 3.08Å; V75-A78 HydrophobicContact CB-CB 4.06Å; V75-A78 HydrophobicContact CG1-CB 3.68Å; V75-A78 WeakPolarHBondContact O-CB 3.41Å; V75-A78 PolarHBondContact O-N 3.23Å; V75-L101 HydrophobicContact CB-CD2 4.5Å; V75-L101 HydrophobicContact CG1-CD2 4.03Å; V75-L101 HydrophobicContact CG2-CD2 4.45Å; V75-V128 HydrophobicContact CG1-CG2 4.42Å; V75-W137 HydrophobicContact CG1-CD2 3.8Å; V75-W137 HydrophobicContact CG1-CG 3.8Å; V75-W137 HydrophobicContact CG1-CZ2 4.35Å | ||
| 76 | A | 97.3 | Very high | 97.9 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V74 Q79 | V74-A76 PolarHBondContact O-N 3.47Å; A76-Q79 PolarHBondContact O-NE2 2.8Å |
| 77 | Q | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17.3 | 177.9 | -57.9 | -64.5 | -2.8 | 0 | 0 | 113.8 | V75 Q79 V128 W137 S138 P140 | V75-Q77 PolarHBondContact O-N 3.08Å; Q77-Q79 PolarHBondContact O-N 3.21Å; Q77-V128 HydrophobicContact CB-CG1 4Å; Q77-V128 WeakPolarHBondContact O-CG1 3.31Å; Q77-W137 HydrophobicContact CB-CB 4.01Å; Q77-W137 HydrophobicContact CG-CB 4.05Å; Q77-S138 WeakPolarHBondContact CB-O 3.36Å; Q77-P140 WeakPolarHBondContact O-CB 3.4Å; Q77-P140 WeakPolarHBondContact O-CD 3.48Å |
| 78 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -81.1 | 57.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I53 V75 S85 L101 F103 V128 | I53-A78 HydrophobicContact CD1-CB 4.4Å; V75-A78 HydrophobicContact CB-CB 4.06Å; V75-A78 HydrophobicContact CG1-CB 3.68Å; V75-A78 WeakPolarHBondContact O-CB 3.41Å; V75-A78 PolarHBondContact O-N 3.23Å; A78-S85 VanDerWaalsContact O-CB 3.32Å; A78-S85 WeakPolarHBondContact O-CB 3.5Å; A78-S85 PolarHBondContact O-OG 3.08Å; A78-L101 HydrophobicContact CB-CD2 4Å; A78-F103 HydrophobicContact CB-CD1 4.21Å; A78-F103 HydrophobicContact CB-CE1 3.88Å; A78-F103 HydrophobicContact CB-CZ 4.18Å; A78-V128 HydrophobicContact CB-CG1 4.49Å; A78-V128 HydrophobicContact CB-CG2 3.92Å |
| 79 | Q | 98.2 | Very high | 98.2 | Very high | 69 Ų | 69 | 48 Ų | 48 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | trans | -154.8 | 158.6 | 177.3 | 64.4 | -177.4 | -48.9 | 0 | 0 | 111.5 | L52 A76 Q77 S85 P140 | L52-Q79 HydrophobicContact CD2-CB 4.42Å; A76-Q79 PolarHBondContact O-NE2 2.8Å; Q77-Q79 PolarHBondContact O-N 3.21Å; Q79-S85 WeakPolarHBondContact CA-OG 3.41Å; Q79-P140 VanDerWaalsContact O-CG 3.3Å; Q79-P140 WeakPolarHBondContact O-CG 3.37Å | ||
| 80 | L | 98.4 | Very high | 98.3 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | trans | -114.4 | 143.9 | 165.6 | -64.9 | -177 | 0 | 0 | 0 | 108.9 | G82 H83 A105 R124 C126 P140 | L80-G82 PolarHBondContact O-N 2.89Å; L80-H83 HydrophobicContact CB-CB 4.09Å; L80-H83 WeakPolarHBondContact O-CB 3.26Å; L80-H83 PolarHBondContact O-N 2.82Å; L80-A105 HydrophobicContact CB-CB 4.36Å; L80-A105 HydrophobicContact CD1-CB 4.01Å; L80-A105 HydrophobicContact CG-CB 4.14Å; L80-R124 HydrophobicContact CD1-CB 4.24Å; L80-R124 HydrophobicContact CD1-CG 4.3Å; L80-C126 VanDerWaalsContact CD1-SG 3.54Å; L80-P140 HydrophobicContact CD2-CB 4.04Å; L80-P140 HydrophobicContact CD2-CG 4.04Å | ||
| 81 | D | 97.8 | Very high | 98.3 | Very high | 155 Ų | 155 | 41.1 Ų | 41.1 | 83% | 0.829 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 129.4 | 179.7 | -69.7 | -25.7 | 0 | 0 | 0 | 111.3 | H83 | D81-H83 PolarHBondContact O-N 3.42Å; D81-H83 PolarHBondContact O-ND1 2.8Å |
| 82 | G | 97.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 39 Ų | 39 | 70% | 0.701 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L80 G108 | L80-G82 PolarHBondContact O-N 2.89Å; G82-G108 PolarHBondContact O-N 3.43Å |
| 83 | H | 98.6 | Very high | 98.4 | Very high | 50 Ų | 50 | 35.6 Ų | 35.6 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151.4 | 176.9 | -60.6 | 65.3 | 0 | 0 | 0 | 111.1 | L80 D81 A105 I106 | L80-H83 HydrophobicContact CB-CB 4.09Å; L80-H83 WeakPolarHBondContact O-CB 3.26Å; L80-H83 PolarHBondContact O-N 2.82Å; D81-H83 PolarHBondContact O-N 3.42Å; D81-H83 PolarHBondContact O-ND1 2.8Å; H83-A105 HydrophobicContact CB-CB 3.89Å; H83-I106 CarbonylContact C-O 3.56Å; H83-I106 VanDerWaalsContact CA-O 3.23Å; H83-I106 WeakPolarHBondContact CA-O 3.29Å; H83-I106 WeakPolarHBondContact CB-O 3.39Å |
| 84 | R | 98.3 | Very high | 98.4 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 145.1 | 165.4 | 62.7 | -177.9 | -168.6 | -82.7 | -0.5 | 110.9 | A50 M86 A105 I106 G108 V110 | A50-R84 WeakPolarHBondContact O-CB 3.48Å; A50-R84 WeakPolarHBondContact O-CD 3.11Å; R84-M86 HydrophobicContact CG-CG 4.41Å; R84-M86 HydrophobicContact CG-SD 4.37Å; R84-M86 PolarHBondContact NE-SD 2.92Å; R84-A105 VanDerWaalsContact O-CA 3.27Å; R84-A105 WeakPolarHBondContact O-CA 3.34Å; R84-I106 HydrophobicContact CG-CB 4.27Å; R84-I106 PolarHBondContact N-O 2.83Å; R84-I106 PolarHBondContact O-N 3.21Å; R84-G108 WeakPolarHBondContact CD-O 3.47Å; R84-G108 PolarHBondContact NH1-O 3.07Å; R84-V110 VanDerWaalsContact CZ-O 3.28Å; R84-V110 PolarHBondContact NH1-O 3.01Å; R84-V110 PolarHBondContact NH2-O 2.72Å |
| 85 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.5 | 175.6 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | E51 A78 Q79 F103 I104 | E51-S85 PolarHBondContact O-N 2.76Å; E51-S85 VanDerWaalsContact O-N 3.14Å; A78-S85 VanDerWaalsContact O-CB 3.32Å; A78-S85 WeakPolarHBondContact O-CB 3.5Å; A78-S85 PolarHBondContact O-OG 3.08Å; Q79-S85 WeakPolarHBondContact CA-OG 3.41Å; S85-F103 WeakPolarHBondContact OG-CE2 3.18Å; S85-I104 WeakPolarHBondContact CA-O 3.45Å |
| 86 | M | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.069 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 166.3 | -178.3 | -59.9 | -178.5 | 73.1 | 0 | 0 | 111.4 | E40 D47 A50 R84 F103 I104 I106 | E40-M86 VanDerWaalsContact OE1-CA 3.24Å; E40-M86 WeakPolarHBondContact OE1-CA 3.19Å; E40-M86 WeakPolarHBondContact OE1-CB 3.41Å; D47-M86 HydrophobicContact CB-CE 4.14Å; D47-M86 VanDerWaalsContact O-CE 3.28Å; D47-M86 WeakPolarHBondContact O-CE 3.38Å; A50-M86 HydrophobicContact CB-CE 4.2Å; A50-M86 HydrophobicContact CB-CG 3.55Å; A50-M86 HydrophobicContact CB-SD 4.08Å; R84-M86 HydrophobicContact CG-CG 4.41Å; R84-M86 HydrophobicContact CG-SD 4.37Å; R84-M86 PolarHBondContact NE-SD 2.92Å; M86-F103 WeakPolarHBondContact O-CB 3.4Å; M86-I104 HydrophobicContact CB-CD1 4.12Å; M86-I104 HydrophobicContact CB-CG1 3.72Å; M86-I104 PolarHBondContact N-O 3.21Å; M86-I104 PolarHBondContact O-N 2.81Å; M86-I106 HydrophobicContact SD-CD1 4.18Å |
| 87 | N | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.08 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 66.6 | 176.2 | -68.6 | 31.9 | 0 | 0 | 0 | 113.5 | E40 C89 I104 A159 V160 P162 | E40-N87 PolarHBondContact OE1-N 2.84Å; N87-C89 PolarHBondContact O-N 2.81Å; N87-C89 PolarHBondContact O-SG 2.8Å; N87-I104 HydrophobicContact CB-CG1 4.37Å; N87-A159 WeakPolarHBondContact ND2-CB 3.1Å; N87-V160 HydrophobicContact CB-CG2 4.46Å; N87-V160 WeakPolarHBondContact CB-O 3.23Å; N87-V160 PolarHBondContact ND2-O 3.12Å; N87-P162 HydrophobicContact CB-CB 4.26Å |
| 88 | P | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 126.3 | 172 | 26.1 | -34.6 | 0 | 0 | 0 | 110.5 | I23 A25 F38 I53 L101 G163 | I23-P88 WeakPolarHBondContact O-CG 3.43Å; A25-P88 HydrophobicContact CB-CB 4.15Å; A25-P88 HydrophobicContact CB-CG 4.08Å; A25-P88 VanDerWaalsContact CB-O 3.26Å; A25-P88 WeakPolarHBondContact CB-O 3.31Å; F38-P88 HydrophobicContact CB-CB 3.91Å; F38-P88 HydrophobicContact CB-CG 4.3Å; I53-P88 HydrophobicContact CD1-CB 4.15Å; I53-P88 HydrophobicContact CG1-CB 4.48Å; I53-P88 HydrophobicContact CG2-CB 4.14Å; P88-L101 HydrophobicContact CB-CD1 4Å; P88-G163 PolarHBondContact O-N 2.76Å; P88-G163 VanDerWaalsContact O-N 3.17Å |
| 89 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 83.7 | -177.4 | -77.2 | 0 | 0 | 0 | 0 | 109.5 | N87 F102 V160 G161 G163 | N87-C89 PolarHBondContact O-N 2.81Å; N87-C89 PolarHBondContact O-SG 2.8Å; C89-F102 HydrophobicContact CB-CB 3.87Å; C89-F102 PolarHBondContact N-O 2.89Å; C89-F102 WeakPolarHBondContact O-CD2 3.31Å; C89-F102 PolarHBondContact O-N 2.84Å; C89-V160 HydrophobicContact CB-CG2 4.13Å; C89-V160 VanDerWaalsContact SG-CG2 3.59Å; C89-G161 VanDerWaalsContact SG-CA 3.6Å; C89-G163 VanDerWaalsContact CA-O 3.31Å; C89-G163 WeakPolarHBondContact CA-O 3.21Å |
| 90 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 148.5 | -175.7 | 34.5 | -37.2 | 0 | 0 | 0 | 112.1 | A25 L27 F38 F100 L101 C165 | A25-P90 VanDerWaalsContact CB-CD 3.49Å; A25-P90 HydrophobicContact CB-CG 3.92Å; L27-P90 HydrophobicContact CB-CB 3.95Å; L27-P90 HydrophobicContact CB-CG 3.94Å; L27-P90 HydrophobicContact CD2-CB 3.9Å; L27-P90 HydrophobicContact CG-CB 4.46Å; F38-P90 HydrophobicContact CD2-CB 4Å; F38-P90 HydrophobicContact CD2-CG 3.99Å; F38-P90 HydrophobicContact CE2-CB 3.66Å; F38-P90 HydrophobicContact CE2-CG 4.12Å; F38-P90 HydrophobicContact CZ-CB 4.42Å; P90-F100 CarbonylContact C-O 3.49Å; P90-F100 WeakPolarHBondContact CA-O 3.23Å; P90-L101 HydrophobicContact CB-CD1 4.39Å; P90-C165 PolarHBondContact O-N 3.28Å |
| 91 | L | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 136.3 | 174.1 | -174.1 | 145.2 | 0 | 0 | 0 | 109.9 | D93 F100 F102 C165 L166 L175 | L91-D93 HydrophobicContact CD2-CB 4.31Å; L91-F100 HydrophobicContact CB-CB 4.3Å; L91-F100 HydrophobicContact CD2-CD2 4.08Å; L91-F100 PolarHBondContact N-O 2.79Å; L91-F100 PolarHBondContact O-N 2.87Å; L91-F102 HydrophobicContact CB-CE2 4.21Å; L91-C165 HydrophobicContact CB-CB 3.96Å; L91-C165 HydrophobicContact CD1-CB 3.63Å; L91-C165 HydrophobicContact CG-CB 4.29Å; L91-L166 WeakPolarHBondContact CD1-O 3.47Å; L91-L175 HydrophobicContact CD1-CB 4.08Å; L91-L175 HydrophobicContact CD1-CD2 4.16Å; L91-L175 HydrophobicContact CD2-CD1 4.25Å; L91-L175 HydrophobicContact CD2-CD2 3.63Å; L91-L175 HydrophobicContact CD2-CG 4.41Å |
| 92 | Y | 98.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 25 Ų | 25 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.2 | 169.2 | -174.9 | -118.9 | 0 | 0 | 0 | 110.2 | L29 V94 L99 Q167 | L29-Y92 HydrophobicContact CD2-CD1 4.03Å; L29-Y92 HydrophobicContact CD2-CD2 3.56Å; L29-Y92 HydrophobicContact CD2-CE2 4.11Å; L29-Y92 HydrophobicContact CD2-CG 3.5Å; Y92-V94 HydrophobicContact CD1-CG1 3.89Å; Y92-V94 HydrophobicContact CE1-CG1 4.13Å; Y92-V94 PolarHBondContact O-N 2.79Å; Y92-L99 HydrophobicContact CD2-CB 4.45Å; Y92-Q167 PolarHBondContact O-OE1 2.69Å |
| 93 | D | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 104.9 | 172.8 | 178.7 | -7.6 | 0 | 0 | 0 | 109.3 | L91 Q95 T96 G97 T98 F100 Q167 L175 H203 | L91-D93 HydrophobicContact CD2-CB 4.31Å; D93-Q95 PolarHBondContact O-N 2.82Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.48Å; D93-Q95 PolarHBondContact OD1-N 3.24Å; D93-T96 WeakPolarHBondContact CB-OG1 3.33Å; D93-T96 PolarHBondContact O-N 3.04Å; D93-T96 PolarHBondContact OD1-N 3.48Å; D93-T96 VanDerWaalsContact OD2-CG2 3.3Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.15Å; D93-T96 PolarHBondContact OD2-OG1 3.42Å; D93-G97 WeakPolarHBondContact O-CA 3.39Å; D93-G97 PolarHBondContact O-N 2.93Å; D93-T98 PolarHBondContact N-O 2.63Å; D93-T98 PolarHBondContact O-N 3.03Å; D93-F100 HydrophobicContact CB-CD2 4.44Å; D93-F100 HydrophobicContact CB-CE2 3.97Å; D93-Q167 PolarHBondContact OD1-NE2 3.12Å; D93-L175 HydrophobicContact CB-CD2 4.47Å; D93-H203 IonicContact OD1-ND1 3.52Å; D93-H203 WeakPolarHBondContact OD2-CB 3.32Å; D93-H203 IonicContact OD2-CE1 2.79Å; D93-H203 IonicContact OD2-CG 3.39Å; D93-H203 IonicContact OD2-ND1 2.77Å; D93-H203 PolarHBondContact OD2-ND1 2.87Å |
| 94 | V | 96.8 | Very high | 98.5 | Very high | 83 Ų | 83 | 19.7 Ų | 19.7 | 50% | 0.503 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.3 | -175.9 | -57.9 | 0 | 0 | 0 | 0 | 113 | Y92 | Y92-V94 HydrophobicContact CD1-CG1 3.89Å; Y92-V94 HydrophobicContact CE1-CG1 4.13Å; Y92-V94 PolarHBondContact O-N 2.79Å |
| 95 | Q | 97.1 | Very high | 98.6 | Very high | 119 Ų | 119 | 19.1 Ų | 19.1 | 56% | 0.556 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -39.4 | -177.5 | -177 | 170.9 | -5.4 | 0 | 0 | 111.5 | D93 H203 | D93-Q95 PolarHBondContact O-N 2.82Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.48Å; D93-Q95 PolarHBondContact OD1-N 3.24Å; Q95-H203 PolarHBondContact OE1-CE1 3.26Å; Q95-H203 PolarHBondContact OE1-NE2 2.89Å |
| 96 | T | 97.9 | Very high | 98.6 | Very high | 68 Ų | 68 | 19.5 Ų | 19.5 | 42% | 0.417 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -16.6 | -179.6 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | D93 T98 H203 | D93-T96 WeakPolarHBondContact CB-OG1 3.33Å; D93-T96 PolarHBondContact O-N 3.04Å; D93-T96 PolarHBondContact OD1-N 3.48Å; D93-T96 VanDerWaalsContact OD2-CG2 3.3Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.15Å; D93-T96 PolarHBondContact OD2-OG1 3.42Å; T96-T98 PolarHBondContact O-N 2.81Å; T96-T98 VanDerWaalsContact OG1-CB 3.29Å; T96-T98 WeakPolarHBondContact OG1-CB 3.46Å; T96-T98 PolarHBondContact OG1-N 2.83Å; T96-T98 PolarHBondContact OG1-OG1 2.81Å; T96-H203 HydrophobicContact CG2-CB 3.99Å |
| 97 | G | 97.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 20.8 Ų | 20.8 | 22% | 0.216 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 13.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D93 | D93-G97 WeakPolarHBondContact O-CA 3.39Å; D93-G97 PolarHBondContact O-N 2.93Å |
| 98 | T | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 22 Ų | 22 | 16% | 0.16 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.1 | -178.5 | -52.9 | 0 | 0 | 0 | 0 | 110.1 | D93 T96 F100 T129 | D93-T98 PolarHBondContact N-O 2.63Å; D93-T98 PolarHBondContact O-N 3.03Å; T96-T98 PolarHBondContact O-N 2.81Å; T96-T98 VanDerWaalsContact OG1-CB 3.29Å; T96-T98 WeakPolarHBondContact OG1-CB 3.46Å; T96-T98 PolarHBondContact OG1-N 2.83Å; T96-T98 PolarHBondContact OG1-OG1 2.81Å; T98-F100 HydrophobicContact CG2-CD2 4.11Å; T98-F100 HydrophobicContact CG2-CE2 3.67Å; T98-F100 HydrophobicContact CG2-CZ 3.94Å; T98-T129 HydrophobicContact CG2-CG2 4.03Å |
| 99 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.2 | 166.8 | 172.4 | 64.5 | 0 | 0 | 0 | 109 | L27 L36 Y92 T129 S130 W137 | L27-L99 HydrophobicContact CD2-CD1 3.17Å; L36-L99 HydrophobicContact CD1-CD1 4.06Å; L36-L99 HydrophobicContact CD1-CD2 3.39Å; L36-L99 HydrophobicContact CD1-CG 4.4Å; Y92-L99 HydrophobicContact CD2-CB 4.45Å; L99-T129 CarbonylContact O-C 3.55Å; L99-T129 WeakPolarHBondContact O-CA 3.39Å; L99-S130 PolarHBondContact N-O 2.95Å; L99-S130 PolarHBondContact O-N 2.9Å; L99-W137 HydrophobicContact CD2-CH2 3.36Å; L99-W137 HydrophobicContact CD2-CZ2 3.82Å; L99-W137 HydrophobicContact CD2-CZ3 4.05Å; L99-W137 HydrophobicContact CG-CH2 3.75Å; L99-W137 HydrophobicContact CG-CZ3 4.05Å |
| 100 | F | 98.9 | Very high | 98.1 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 140.8 | 170.2 | -65.1 | -101.4 | 0 | 0 | 0 | 109.4 | P90 L91 D93 T98 F102 T129 L175 H203 | P90-F100 CarbonylContact C-O 3.49Å; P90-F100 WeakPolarHBondContact CA-O 3.23Å; L91-F100 HydrophobicContact CB-CB 4.3Å; L91-F100 HydrophobicContact CD2-CD2 4.08Å; L91-F100 PolarHBondContact N-O 2.79Å; L91-F100 PolarHBondContact O-N 2.87Å; D93-F100 HydrophobicContact CB-CD2 4.44Å; D93-F100 HydrophobicContact CB-CE2 3.97Å; T98-F100 HydrophobicContact CG2-CD2 4.11Å; T98-F100 HydrophobicContact CG2-CE2 3.67Å; T98-F100 HydrophobicContact CG2-CZ 3.94Å; F100-F102 HydrophobicContact CB-CD2 4.33Å; F100-F102 HydrophobicContact CB-CE2 3.65Å; F100-F102 HydrophobicContact CB-CZ 3.85Å; F100-F102 HydrophobicContact CD1-CE1 4.4Å; F100-F102 HydrophobicContact CD1-CE2 4.48Å; F100-F102 AromaticContact CD1-CZ 3.82Å; F100-F102 HydrophobicContact CD1-CZ 3.82Å; F100-F102 HydrophobicContact CG-CE2 4.27Å; F100-F102 HydrophobicContact CG-CZ 4.05Å; F100-T129 HydrophobicContact CD1-CG2 3.46Å; F100-T129 VanDerWaalsContact CD1-CG2 3.46Å; F100-T129 HydrophobicContact CE1-CG2 3.61Å; F100-T129 HydrophobicContact CG-CG2 4.08Å; F100-T129 HydrophobicContact CZ-CG2 4.32Å; F100-L175 HydrophobicContact CE2-CD1 4.16Å; F100-L175 HydrophobicContact CZ-CD1 4.28Å; F100-H203 WeakPolarHBondContact CZ-O 3.3Å |
| 101 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 105.2 | 164.3 | 173.6 | 66.3 | 0 | 0 | 0 | 107.6 | F38 I53 V75 A78 P88 P90 Q127 V128 W137 | F38-L101 HydrophobicContact CD1-CD1 4.14Å; F38-L101 HydrophobicContact CD1-CD2 4.15Å; F38-L101 HydrophobicContact CE1-CD1 4.19Å; F38-L101 HydrophobicContact CE1-CD2 3.93Å; F38-L101 HydrophobicContact CG-CD1 4.41Å; I53-L101 HydrophobicContact CD1-CD2 4.48Å; I53-L101 HydrophobicContact CG2-CD2 4.17Å; V75-L101 HydrophobicContact CB-CD2 4.5Å; V75-L101 HydrophobicContact CG1-CD2 4.03Å; V75-L101 HydrophobicContact CG2-CD2 4.45Å; A78-L101 HydrophobicContact CB-CD2 4Å; P88-L101 HydrophobicContact CB-CD1 4Å; P90-L101 HydrophobicContact CB-CD1 4.39Å; L101-Q127 VanDerWaalsContact O-CA 3.31Å; L101-Q127 WeakPolarHBondContact O-CA 3.45Å; L101-V128 HydrophobicContact CB-CG2 3.91Å; L101-V128 HydrophobicContact CD2-CG2 4.07Å; L101-V128 HydrophobicContact CG-CG2 4.35Å; L101-V128 PolarHBondContact N-O 2.94Å; L101-V128 PolarHBondContact O-N 3.14Å; L101-W137 HydrophobicContact CB-CE3 4.48Å; L101-W137 HydrophobicContact CB-CH2 3.77Å; L101-W137 HydrophobicContact CB-CZ3 3.55Å; L101-W137 HydrophobicContact CD2-CH2 4.28Å; L101-W137 HydrophobicContact CD2-CZ3 4.44Å |
| 102 | F | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 148.4 | 170.1 | -56.4 | -78.8 | 0 | 0 | 0 | 109.6 | C89 L91 F100 C126 Q127 L143 V177 W207 | C89-F102 HydrophobicContact CB-CB 3.87Å; C89-F102 PolarHBondContact N-O 2.89Å; C89-F102 WeakPolarHBondContact O-CD2 3.31Å; C89-F102 PolarHBondContact O-N 2.84Å; L91-F102 HydrophobicContact CB-CE2 4.21Å; F100-F102 HydrophobicContact CB-CD2 4.33Å; F100-F102 HydrophobicContact CB-CE2 3.65Å; F100-F102 HydrophobicContact CB-CZ 3.85Å; F100-F102 HydrophobicContact CD1-CE1 4.4Å; F100-F102 HydrophobicContact CD1-CE2 4.48Å; F100-F102 AromaticContact CD1-CZ 3.82Å; F100-F102 HydrophobicContact CD1-CZ 3.82Å; F100-F102 HydrophobicContact CG-CE2 4.27Å; F100-F102 HydrophobicContact CG-CZ 4.05Å; F102-C126 WeakPolarHBondContact CA-O 3.4Å; F102-Q127 HydrophobicContact CD1-CB 3.71Å; F102-Q127 HydrophobicContact CE1-CB 3.87Å; F102-L143 HydrophobicContact CD1-CD1 4.08Å; F102-L143 HydrophobicContact CE1-CD1 3.99Å; F102-V177 HydrophobicContact CD2-CG2 3.79Å; F102-V177 HydrophobicContact CE2-CG2 3.7Å; F102-V177 HydrophobicContact CG-CG2 4.26Å; F102-V177 HydrophobicContact CZ-CG2 4.1Å; F102-W207 AromaticContact CE1-CH2 3.72Å; F102-W207 HydrophobicContact CE1-CH2 3.72Å; F102-W207 AromaticContact CE1-CZ2 3.4Å; F102-W207 HydrophobicContact CE1-CZ2 3.4Å; F102-W207 VanDerWaalsContact CE1-CZ2 3.4Å; F102-W207 HydrophobicContact CE2-CH2 4.22Å; F102-W207 AromaticContact CZ-CH2 3.4Å; F102-W207 HydrophobicContact CZ-CH2 3.4Å; F102-W207 AromaticContact CZ-CZ2 3.4Å; F102-W207 HydrophobicContact CZ-CZ2 3.4Å |
| 103 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 165.2 | 176 | 62.4 | -80.9 | 0 | 0 | 0 | 110.1 | I53 A78 S85 M86 A105 C126 V128 P140 | I53-F103 HydrophobicContact CD1-CB 3.51Å; I53-F103 HydrophobicContact CD1-CD1 4.46Å; I53-F103 HydrophobicContact CD1-CD2 4.43Å; I53-F103 HydrophobicContact CD1-CG 3.93Å; A78-F103 HydrophobicContact CB-CD1 4.21Å; A78-F103 HydrophobicContact CB-CE1 3.88Å; A78-F103 HydrophobicContact CB-CZ 4.18Å; S85-F103 WeakPolarHBondContact OG-CE2 3.18Å; M86-F103 WeakPolarHBondContact O-CB 3.4Å; F103-A105 HydrophobicContact CE2-CB 4.35Å; F103-C126 HydrophobicContact CD1-CB 4.07Å; F103-C126 HydrophobicContact CD2-CB 3.97Å; F103-C126 HydrophobicContact CE1-CB 3.61Å; F103-C126 HydrophobicContact CE2-CB 3.5Å; F103-C126 VanDerWaalsContact CE2-CB 3.5Å; F103-C126 HydrophobicContact CG-CB 4.23Å; F103-C126 HydrophobicContact CZ-CB 3.3Å; F103-C126 PolarHBondContact N-O 2.99Å; F103-C126 PolarHBondContact O-N 3.37Å; F103-V128 HydrophobicContact CE1-CG1 4.35Å; F103-P140 HydrophobicContact CZ-CB 4.49Å |
| 104 | I | 98.9 | Very high | 98 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 146.1 | 167.9 | 67.1 | 179 | 0 | 0 | 0 | 110.9 | S85 M86 N87 I106 T123 R124 F158 A159 V160 | S85-I104 WeakPolarHBondContact CA-O 3.45Å; M86-I104 HydrophobicContact CB-CD1 4.12Å; M86-I104 HydrophobicContact CB-CG1 3.72Å; M86-I104 PolarHBondContact N-O 3.21Å; M86-I104 PolarHBondContact O-N 2.81Å; N87-I104 HydrophobicContact CB-CG1 4.37Å; I104-I106 HydrophobicContact CD1-CD1 4.08Å; I104-T123 HydrophobicContact CB-CG2 3.82Å; I104-T123 HydrophobicContact CD1-CG2 4.17Å; I104-T123 HydrophobicContact CG1-CG2 4.45Å; I104-T123 HydrophobicContact CG2-CG2 4.11Å; I104-R124 CarbonylContact C-O 3.55Å; I104-R124 WeakPolarHBondContact CA-O 3.39Å; I104-F158 HydrophobicContact CG2-CE2 4.4Å; I104-A159 HydrophobicContact CD1-CB 3.92Å; I104-A159 HydrophobicContact CG2-CB 4.49Å; I104-V160 HydrophobicContact CG2-CG2 4.16Å |
| 105 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L80 H83 R84 F103 R124 | L80-A105 HydrophobicContact CB-CB 4.36Å; L80-A105 HydrophobicContact CD1-CB 4.01Å; L80-A105 HydrophobicContact CG-CB 4.14Å; H83-A105 HydrophobicContact CB-CB 3.89Å; R84-A105 VanDerWaalsContact O-CA 3.27Å; R84-A105 WeakPolarHBondContact O-CA 3.34Å; F103-A105 HydrophobicContact CE2-CB 4.35Å; A105-R124 HydrophobicContact CB-CB 4.22Å; A105-R124 PolarHBondContact N-O 3.22Å; A105-R124 PolarHBondContact O-N 3.46Å |
| 106 | I | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.046 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.3 | -177.8 | -56.1 | 175.1 | 0 | 0 | 0 | 109.6 | H83 R84 M86 I104 G108 V110 V122 T123 | H83-I106 CarbonylContact C-O 3.56Å; H83-I106 VanDerWaalsContact CA-O 3.23Å; H83-I106 WeakPolarHBondContact CA-O 3.29Å; H83-I106 WeakPolarHBondContact CB-O 3.39Å; R84-I106 HydrophobicContact CG-CB 4.27Å; R84-I106 PolarHBondContact N-O 2.83Å; R84-I106 PolarHBondContact O-N 3.21Å; M86-I106 HydrophobicContact SD-CD1 4.18Å; I104-I106 HydrophobicContact CD1-CD1 4.08Å; I106-G108 PolarHBondContact O-N 3.35Å; I106-V110 HydrophobicContact CG2-CB 4.23Å; I106-V110 WeakPolarHBondContact CG2-O 3.36Å; I106-V122 HydrophobicContact CG2-CG2 4.4Å; I106-T123 HydrophobicContact CD1-CG2 4.42Å; I106-T123 HydrophobicContact CG1-CG2 4Å |
| 107 | P | 98.4 | Very high | 98.1 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 125.3 | -179.4 | -24.3 | 31.9 | 0 | 0 | 0 | 112.9 | Q109 V110 V122 | P107-Q109 PolarHBondContact O-N 3.38Å; P107-V110 HydrophobicContact CB-CG2 4.42Å; P107-V110 WeakPolarHBondContact O-CB 3.4Å; P107-V110 WeakPolarHBondContact O-CG2 3.31Å; P107-V110 PolarHBondContact O-N 2.79Å; P107-V122 WeakPolarHBondContact CD-O 3.39Å; P107-V122 HydrophobicContact CG-CB 4.16Å; P107-V122 HydrophobicContact CG-CG2 4.27Å |
| 108 | G | 94.8 | Very high | 98.1 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 42% | 0.423 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | -120 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G82 R84 I106 | G82-G108 PolarHBondContact O-N 3.43Å; R84-G108 WeakPolarHBondContact CD-O 3.47Å; R84-G108 PolarHBondContact NH1-O 3.07Å; I106-G108 PolarHBondContact O-N 3.35Å |
| 109 | Q | 94.9 | Very high | 98 | Very high | 130 Ų | 130 | 45.5 Ų | 45.5 | 61% | 0.607 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 21.2 | 179.6 | -62 | -174.5 | -23.6 | 0 | 0 | 113.1 | P107 T111 | P107-Q109 PolarHBondContact O-N 3.38Å; Q109-T111 WeakPolarHBondContact O-CG2 3.39Å; Q109-T111 PolarHBondContact O-N 2.92Å; Q109-T111 VanDerWaalsContact O-N 3.14Å |
| 110 | V | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | trans | -58.9 | 121.7 | 176.5 | 175.9 | 0 | 0 | 0 | 0 | 109.1 | R84 I106 P107 Q114 Q115 V122 | R84-V110 VanDerWaalsContact CZ-O 3.28Å; R84-V110 PolarHBondContact NH1-O 3.01Å; R84-V110 PolarHBondContact NH2-O 2.72Å; I106-V110 HydrophobicContact CG2-CB 4.23Å; I106-V110 WeakPolarHBondContact CG2-O 3.36Å; P107-V110 HydrophobicContact CB-CG2 4.42Å; P107-V110 WeakPolarHBondContact O-CB 3.4Å; P107-V110 WeakPolarHBondContact O-CG2 3.31Å; P107-V110 PolarHBondContact O-N 2.79Å; V110-Q114 HydrophobicContact CG1-CB 4.46Å; V110-Q115 HydrophobicContact CG1-CG 4.13Å; V110-V122 HydrophobicContact CB-CG2 4.39Å; V110-V122 HydrophobicContact CG1-CG2 3.8Å | ||
| 111 | T | 98.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | trans | -86.3 | 157.3 | -171.1 | 72.2 | 0 | 0 | 0 | 0 | 112 | E48 Q109 Q113 Q114 Q115 | E48-T111 HydrophobicContact CB-CG2 3.94Å; E48-T111 HydrophobicContact CG-CG2 3.99Å; Q109-T111 WeakPolarHBondContact O-CG2 3.39Å; Q109-T111 PolarHBondContact O-N 2.92Å; Q109-T111 VanDerWaalsContact O-N 3.14Å; T111-Q113 PolarHBondContact O-N 3.33Å; T111-Q114 PolarHBondContact O-N 2.78Å; T111-Q114 WeakPolarHBondContact OG1-CG 3.45Å; T111-Q114 PolarHBondContact OG1-N 3.06Å; T111-Q115 PolarHBondContact O-N 2.82Å | ||
| 112 | E | 98.1 | Very high | 97.9 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.4 | -43.9 | 169.4 | -167.2 | -169.6 | 78.5 | 0 | 0 | 110.4 | Q114 Q115 L116 T157 | E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 3.13Å; E112-Q115 WeakPolarHBondContact O-CB 3.41Å; E112-Q115 PolarHBondContact O-N 3.43Å; E112-Q115 VanDerWaalsContact O-N 3.09Å; E112-L116 HydrophobicContact CG-CD1 4.15Å; E112-L116 HydrophobicContact CG-CG 4.3Å; E112-L116 VanDerWaalsContact O-CG 3.31Å; E112-L116 WeakPolarHBondContact O-CG 3.36Å; E112-L116 PolarHBondContact O-N 2.94Å; E112-T157 HydrophobicContact CG-CG2 3.7Å |
| 113 | Q | 97.9 | Very high | 97.9 | Very high | 123 Ų | 123 | 50.4 Ų | 50.4 | 58% | 0.575 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.6 | -41.3 | 179 | -176.8 | 178.7 | -1.4 | 0 | 0 | 112.9 | T111 L116 Q117 | T111-Q113 PolarHBondContact O-N 3.33Å; Q113-L116 PolarHBondContact O-N 3.43Å; Q113-Q117 HydrophobicContact CG-CG 4.39Å; Q113-Q117 VanDerWaalsContact NE2-NE2 3.16Å; Q113-Q117 WeakPolarHBondContact O-CB 3.37Å; Q113-Q117 VanDerWaalsContact O-CG 3.25Å; Q113-Q117 WeakPolarHBondContact O-CG 3.46Å; Q113-Q117 PolarHBondContact O-N 3.2Å |
| 114 | Q | 98.3 | Very high | 97.9 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176 | -76.7 | 169.4 | -24.7 | 0 | 0 | 111.2 | V110 T111 E112 Q117 T118 | V110-Q114 HydrophobicContact CG1-CB 4.46Å; T111-Q114 PolarHBondContact O-N 2.78Å; T111-Q114 WeakPolarHBondContact OG1-CG 3.45Å; T111-Q114 PolarHBondContact OG1-N 3.06Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 3.13Å; Q114-Q117 PolarHBondContact O-N 3.27Å; Q114-T118 WeakPolarHBondContact O-CB 3.41Å; Q114-T118 WeakPolarHBondContact O-CG2 3.14Å; Q114-T118 PolarHBondContact O-N 3.16Å; Q114-T118 PolarHBondContact O-OG1 3.09Å |
| 115 | Q | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 177.1 | -66 | -171.5 | 77.2 | 0 | 0 | 111.8 | V110 T111 E112 R119 A120 N121 V122 T123 S156 T157 | V110-Q115 HydrophobicContact CG1-CG 4.13Å; T111-Q115 PolarHBondContact O-N 2.82Å; E112-Q115 WeakPolarHBondContact O-CB 3.41Å; E112-Q115 PolarHBondContact O-N 3.43Å; E112-Q115 VanDerWaalsContact O-N 3.09Å; Q115-R119 VanDerWaalsContact O-CA 3.23Å; Q115-R119 WeakPolarHBondContact O-CA 3.42Å; Q115-R119 PolarHBondContact O-N 2.97Å; Q115-A120 PolarHBondContact O-N 2.87Å; Q115-N121 PolarHBondContact OE1-OD1 3.11Å; Q115-V122 HydrophobicContact CG-CG2 3.94Å; Q115-T123 PolarHBondContact NE2-OG1 3.03Å; Q115-T123 PolarHBondContact OE1-OG1 2.91Å; Q115-S156 WeakPolarHBondContact CB-O 3.34Å; Q115-T157 PolarHBondContact OE1-OG1 3.48Å |
| 116 | L | 97.8 | Very high | 97.9 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 176.1 | -65.8 | 176.8 | 0 | 0 | 0 | 113.4 | E112 Q113 T157 Y182 P191 | E112-L116 HydrophobicContact CG-CD1 4.15Å; E112-L116 HydrophobicContact CG-CG 4.3Å; E112-L116 VanDerWaalsContact O-CG 3.31Å; E112-L116 WeakPolarHBondContact O-CG 3.36Å; E112-L116 PolarHBondContact O-N 2.94Å; Q113-L116 PolarHBondContact O-N 3.43Å; L116-T157 HydrophobicContact CD2-CG2 4.11Å; L116-Y182 HydrophobicContact CD1-CE1 4.31Å; L116-Y182 HydrophobicContact CD2-CD1 3.46Å; L116-Y182 VanDerWaalsContact CD2-CD1 3.46Å; L116-Y182 HydrophobicContact CD2-CD2 3.68Å; L116-Y182 HydrophobicContact CD2-CE1 3.97Å; L116-Y182 HydrophobicContact CD2-CE2 4.13Å; L116-Y182 HydrophobicContact CD2-CG 3.3Å; L116-P191 HydrophobicContact CD2-CB 4.45Å |
| 117 | Q | 97.3 | Very high | 97.9 | Very high | 139 Ų | 139 | 54.3 Ų | 54.3 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -73.6 | -41.9 | -179.5 | -74.2 | 176.5 | -11 | 0 | 0 | 112.1 | Q113 Q114 | Q113-Q117 HydrophobicContact CG-CG 4.39Å; Q113-Q117 VanDerWaalsContact NE2-NE2 3.16Å; Q113-Q117 WeakPolarHBondContact O-CB 3.37Å; Q113-Q117 VanDerWaalsContact O-CG 3.25Å; Q113-Q117 WeakPolarHBondContact O-CG 3.46Å; Q113-Q117 PolarHBondContact O-N 3.2Å; Q114-Q117 PolarHBondContact O-N 3.27Å |
| 118 | T | 97.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -84.3 | -17.1 | -178.3 | 59 | 0 | 0 | 0 | 0 | 113.2 | Q114 A120 | Q114-T118 WeakPolarHBondContact O-CB 3.41Å; Q114-T118 WeakPolarHBondContact O-CG2 3.14Å; Q114-T118 PolarHBondContact O-N 3.16Å; Q114-T118 PolarHBondContact O-OG1 3.09Å; T118-A120 PolarHBondContact O-N 2.92Å; T118-A120 PolarHBondContact OG1-N 2.92Å |
| 119 | R | 97.8 | Very high | 98.1 | Very high | 74 Ų | 74 | 52 Ų | 52 | 28% | 0.279 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 27.8 | -171.6 | -52.4 | 173 | -179.3 | -132 | -6.8 | 112.9 | Q115 S156 H186 P187 Q189 P191 | Q115-R119 VanDerWaalsContact O-CA 3.23Å; Q115-R119 WeakPolarHBondContact O-CA 3.42Å; Q115-R119 PolarHBondContact O-N 2.97Å; R119-S156 WeakPolarHBondContact CA-OG 3.43Å; R119-H186 PolarHBondContact NH1-O 2.91Å; R119-H186 PolarHBondContact NH2-O 2.9Å; R119-P187 PolarHBondContact NH1-O 2.81Å; R119-P187 PolarHBondContact NH2-O 2.84Å; R119-Q189 PolarHBondContact NH2-O 2.85Å; R119-P191 HydrophobicContact CG-CG 4.47Å |
| 120 | A | 97.2 | Very high | 98.3 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 41% | 0.413 | 24% | 0.235 | S | C | . | . | trans | -111.5 | 107.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q115 T118 | Q115-A120 PolarHBondContact O-N 2.87Å; T118-A120 PolarHBondContact O-N 2.92Å; T118-A120 PolarHBondContact OG1-N 2.92Å | ||
| 121 | N | 98.7 | Very high | 98.3 | Very high | 18 Ų | 18 | 49 Ų | 49 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | trans | -76.8 | 128.6 | 177.2 | -170.7 | 2.5 | 0 | 0 | 0 | 110.5 | Q115 T123 Y152 W155 S156 | Q115-N121 PolarHBondContact OE1-OD1 3.11Å; N121-T123 PolarHBondContact OD1-N 2.93Å; N121-Y152 HydrophobicContact CB-CD1 4.34Å; N121-Y152 HydrophobicContact CB-CE1 3.85Å; N121-Y152 WeakPolarHBondContact ND2-CD2 3.34Å; N121-Y152 VanDerWaalsContact ND2-CE2 3.32Å; N121-Y152 WeakPolarHBondContact ND2-CE2 3.48Å; N121-Y152 PolarHBondContact ND2-O 2.92Å; N121-Y152 WeakPolarHBondContact O-CE1 3.34Å; N121-Y152 PolarHBondContact O-OH 3.27Å; N121-W155 WeakPolarHBondContact CB-O 3.48Å; N121-S156 WeakPolarHBondContact CA-O 3.24Å; N121-S156 WeakPolarHBondContact CB-O 3.47Å; N121-S156 PolarHBondContact N-O 2.61Å | ||
| 122 | V | 98.7 | Very high | 98.3 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | trans | -127.5 | 2.9 | 174 | -61 | 0 | 0 | 0 | 0 | 112.4 | I106 P107 V110 Q115 Y152 | I106-V122 HydrophobicContact CG2-CG2 4.4Å; P107-V122 WeakPolarHBondContact CD-O 3.39Å; P107-V122 HydrophobicContact CG-CB 4.16Å; P107-V122 HydrophobicContact CG-CG2 4.27Å; V110-V122 HydrophobicContact CB-CG2 4.39Å; V110-V122 HydrophobicContact CG1-CG2 3.8Å; Q115-V122 HydrophobicContact CG-CG2 3.94Å; V122-Y152 VanDerWaalsContact C-OH 3.26Å; V122-Y152 VanDerWaalsContact CA-OH 3.32Å; V122-Y152 WeakPolarHBondContact CA-OH 3.32Å | ||
| 123 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -73.5 | 139.5 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | I104 I106 Q115 N121 Y152 T157 F158 | I104-T123 HydrophobicContact CB-CG2 3.82Å; I104-T123 HydrophobicContact CD1-CG2 4.17Å; I104-T123 HydrophobicContact CG1-CG2 4.45Å; I104-T123 HydrophobicContact CG2-CG2 4.11Å; I106-T123 HydrophobicContact CD1-CG2 4.42Å; I106-T123 HydrophobicContact CG1-CG2 4Å; Q115-T123 PolarHBondContact NE2-OG1 3.03Å; Q115-T123 PolarHBondContact OE1-OG1 2.91Å; N121-T123 PolarHBondContact OD1-N 2.93Å; T123-Y152 PolarHBondContact N-OH 2.99Å; T123-Y152 WeakPolarHBondContact O-CE2 3.48Å; T123-Y152 PolarHBondContact O-OH 2.82Å; T123-T157 PolarHBondContact OG1-OG1 2.77Å; T123-F158 HydrophobicContact CG2-CD1 4.39Å; T123-F158 HydrophobicContact CG2-CE1 3.97Å; T123-F158 HydrophobicContact CG2-CE2 4.43Å; T123-F158 HydrophobicContact CG2-CZ 3.98Å; T123-F158 WeakPolarHBondContact O-CE1 3.36Å | ||
| 124 | R | 98.9 | Very high | 98.2 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.3 | 175.8 | -58.5 | -62.3 | 180 | 166.4 | -5.4 | 110.6 | L80 I104 A105 D142 T144 | L80-R124 HydrophobicContact CD1-CB 4.24Å; L80-R124 HydrophobicContact CD1-CG 4.3Å; I104-R124 CarbonylContact C-O 3.55Å; I104-R124 WeakPolarHBondContact CA-O 3.39Å; A105-R124 HydrophobicContact CB-CB 4.22Å; A105-R124 PolarHBondContact N-O 3.22Å; A105-R124 PolarHBondContact O-N 3.46Å; R124-D142 WeakPolarHBondContact CD-OD2 3.46Å; R124-T144 WeakPolarHBondContact CA-OG1 3.24Å |
| 125 | L | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121 | 170 | 177.7 | 59.9 | 0 | 0 | 0 | 108.7 | L143 T144 A147 I148 F158 V160 F198 | L125-L143 HydrophobicContact CB-CB 4.49Å; L125-L143 HydrophobicContact CD2-CB 4.16Å; L125-L143 HydrophobicContact CD2-CD1 4.48Å; L125-L143 HydrophobicContact CG-CB 4.09Å; L125-L143 HydrophobicContact CG-CD1 4.35Å; L125-L143 PolarHBondContact O-N 2.96Å; L125-T144 PolarHBondContact N-OG1 3.08Å; L125-A147 HydrophobicContact CD2-CB 4Å; L125-I148 HydrophobicContact CB-CD1 4.47Å; L125-F158 HydrophobicContact CB-CE2 3.94Å; L125-F158 HydrophobicContact CB-CZ 4.02Å; L125-V160 HydrophobicContact CD1-CG1 3.64Å; L125-V160 HydrophobicContact CD1-CG2 4.39Å; L125-F198 HydrophobicContact CD2-CD2 4.27Å; L125-F198 HydrophobicContact CD2-CE1 4.48Å; L125-F198 HydrophobicContact CD2-CE2 3.97Å; L125-F198 HydrophobicContact CD2-CZ 4.08Å |
| 126 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 159.7 | -176.5 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | L80 F102 F103 R141 | L80-C126 VanDerWaalsContact CD1-SG 3.54Å; F102-C126 WeakPolarHBondContact CA-O 3.4Å; F103-C126 HydrophobicContact CD1-CB 4.07Å; F103-C126 HydrophobicContact CD2-CB 3.97Å; F103-C126 HydrophobicContact CE1-CB 3.61Å; F103-C126 HydrophobicContact CE2-CB 3.5Å; F103-C126 VanDerWaalsContact CE2-CB 3.5Å; F103-C126 HydrophobicContact CG-CB 4.23Å; F103-C126 HydrophobicContact CZ-CB 3.3Å; F103-C126 PolarHBondContact N-O 2.99Å; F103-C126 PolarHBondContact O-N 3.37Å; C126-R141 CarbonylContact C-O 3.59Å; C126-R141 WeakPolarHBondContact CA-O 3.01Å |
| 127 | Q | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.8 | 165.8 | 65.3 | 169.7 | 75.5 | 0 | 0 | 111.7 | L101 F102 P140 R141 L143 | L101-Q127 VanDerWaalsContact O-CA 3.31Å; L101-Q127 WeakPolarHBondContact O-CA 3.45Å; F102-Q127 HydrophobicContact CD1-CB 3.71Å; F102-Q127 HydrophobicContact CE1-CB 3.87Å; Q127-P140 WeakPolarHBondContact O-CA 3.32Å; Q127-R141 HydrophobicContact CG-CB 4.01Å; Q127-R141 PolarHBondContact N-O 3Å; Q127-R141 PolarHBondContact O-N 2.87Å; Q127-L143 HydrophobicContact CB-CD1 4.09Å; Q127-L143 HydrophobicContact CG-CD1 3.84Å; Q127-L143 HydrophobicContact CG-CD2 4.07Å; Q127-L143 HydrophobicContact CG-CG 4.03Å; Q127-L143 VanDerWaalsContact OE1-CD1 3.29Å |
| 128 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 157.3 | 156.6 | -70 | 0 | 0 | 0 | 0 | 109 | V75 Q77 A78 L101 F103 W137 S138 P140 | V75-V128 HydrophobicContact CG1-CG2 4.42Å; Q77-V128 HydrophobicContact CB-CG1 4Å; Q77-V128 WeakPolarHBondContact O-CG1 3.31Å; A78-V128 HydrophobicContact CB-CG1 4.49Å; A78-V128 HydrophobicContact CB-CG2 3.92Å; L101-V128 HydrophobicContact CB-CG2 3.91Å; L101-V128 HydrophobicContact CD2-CG2 4.07Å; L101-V128 HydrophobicContact CG-CG2 4.35Å; L101-V128 PolarHBondContact N-O 2.94Å; L101-V128 PolarHBondContact O-N 3.14Å; F103-V128 HydrophobicContact CE1-CG1 4.35Å; V128-W137 HydrophobicContact CB-CE3 4.02Å; V128-W137 HydrophobicContact CG2-CD2 4.14Å; V128-W137 HydrophobicContact CG2-CE3 3.44Å; V128-W137 VanDerWaalsContact CG2-CE3 3.44Å; V128-W137 HydrophobicContact CG2-CZ3 3.89Å; V128-S138 WeakPolarHBondContact CG1-O 3.39Å; V128-P140 HydrophobicContact CG1-CB 4.12Å |
| 129 | T | 98.9 | Very high | 98.3 | Very high | 32 Ų | 32 | 46 Ų | 46 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.5 | 179.4 | 55 | 0 | 0 | 0 | 0 | 112.1 | T98 L99 F100 W137 S138 | T98-T129 HydrophobicContact CG2-CG2 4.03Å; L99-T129 CarbonylContact O-C 3.55Å; L99-T129 WeakPolarHBondContact O-CA 3.39Å; F100-T129 HydrophobicContact CD1-CG2 3.46Å; F100-T129 VanDerWaalsContact CD1-CG2 3.46Å; F100-T129 HydrophobicContact CE1-CG2 3.61Å; F100-T129 HydrophobicContact CG-CG2 4.08Å; F100-T129 HydrophobicContact CZ-CG2 4.32Å; T129-W137 CarbonylContact O-C 3.52Å; T129-W137 WeakPolarHBondContact O-CA 3.48Å; T129-S138 PolarHBondContact N-OG 2.8Å; T129-S138 PolarHBondContact O-N 3.47Å; T129-S138 PolarHBondContact O-OG 2.89Å; T129-S138 PolarHBondContact OG1-OG 2.8Å |
| 130 | S | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142 | 174.5 | 170.8 | 0 | 0 | 0 | 0 | 110 | L99 D132 G134 T136 | L99-S130 PolarHBondContact N-O 2.95Å; L99-S130 PolarHBondContact O-N 2.9Å; S130-D132 PolarHBondContact OG-N 2.81Å; S130-D132 PolarHBondContact OG-OD1 2.89Å; S130-G134 WeakPolarHBondContact OG-CA 3.46Å; S130-G134 PolarHBondContact OG-N 2.76Å; S130-T136 WeakPolarHBondContact CB-O 3.38Å; S130-T136 PolarHBondContact OG-O 3.28Å |
| 131 | T | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 69% | 0.693 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -113.8 | 5 | 175.9 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 132 | D | 97.7 | Very high | 98.4 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 23% | 0.225 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -127.8 | 32.4 | -177.4 | 64.1 | 3.1 | 0 | 0 | 0 | 111.9 | S130 R135 T136 | S130-D132 PolarHBondContact OG-N 2.81Å; S130-D132 PolarHBondContact OG-OD1 2.89Å; D132-R135 HydrophobicContact CB-CB 4.47Å; D132-R135 WeakPolarHBondContact O-CD 3.21Å; D132-R135 WeakPolarHBondContact O-CG 3.09Å; D132-R135 PolarHBondContact OD1-N 2.96Å; D132-R135 VanDerWaalsContact OD1-N 3.15Å; D132-T136 PolarHBondContact OD1-N 2.85Å; D132-T136 PolarHBondContact OD1-OG1 2.95Å; D132-T136 WeakPolarHBondContact OD2-CB 3.35Å; D132-T136 WeakPolarHBondContact OD2-CG2 3.29Å; D132-T136 PolarHBondContact OD2-N 3.34Å; D132-T136 VanDerWaalsContact OD2-N 3.16Å; D132-T136 PolarHBondContact OD2-OG1 2.8Å |
| 133 | H | 96.8 | Very high | 98.4 | Very high | 58 Ų | 58 | 47 Ų | 47 | 27% | 0.269 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 62.8 | 40.6 | 174.9 | -45.3 | -51.8 | 0 | 0 | 0 | 113.7 | L29 Q32 | L29-H133 HydrophobicContact CD1-CB 3.85Å; Q32-H133 PolarHBondContact NE2-CE1 3.3Å; Q32-H133 PolarHBondContact NE2-NE2 3.45Å; Q32-H133 VanDerWaalsContact NE2-NE2 3.11Å |
| 134 | G | 97 | Very high | 98.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 80.2 | 20.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R57 S130 W137 | R57-G134 PolarHBondContact NH1-O 3.44Å; S130-G134 WeakPolarHBondContact OG-CA 3.46Å; S130-G134 PolarHBondContact OG-N 2.76Å; G134-W137 PolarHBondContact O-NE1 2.84Å |
| 135 | R | 97 | Very high | 98.4 | Very high | 175 Ų | 175 | 49.3 Ų | 49.3 | 66% | 0.66 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -83.3 | -43.7 | 173.8 | -67.2 | 174 | 178.8 | 169.1 | 1.3 | 111.4 | D132 | D132-R135 HydrophobicContact CB-CB 4.47Å; D132-R135 WeakPolarHBondContact O-CD 3.21Å; D132-R135 WeakPolarHBondContact O-CG 3.09Å; D132-R135 PolarHBondContact OD1-N 2.96Å; D132-R135 VanDerWaalsContact OD1-N 3.15Å |
| 136 | T | 98.2 | Very high | 98.4 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 53% | 0.534 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -126.5 | 152.3 | 171.9 | 67.2 | 0 | 0 | 0 | 0 | 110.2 | S130 D132 | S130-T136 WeakPolarHBondContact CB-O 3.38Å; S130-T136 PolarHBondContact OG-O 3.28Å; D132-T136 PolarHBondContact OD1-N 2.85Å; D132-T136 PolarHBondContact OD1-OG1 2.95Å; D132-T136 WeakPolarHBondContact OD2-CB 3.35Å; D132-T136 WeakPolarHBondContact OD2-CG2 3.29Å; D132-T136 PolarHBondContact OD2-N 3.34Å; D132-T136 VanDerWaalsContact OD2-N 3.16Å; D132-T136 PolarHBondContact OD2-OG1 2.8Å |
| 137 | W | 98.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 13% | 0.129 | 29% | 0.286 | C | S | . | . | trans | -126.6 | 143.7 | -175.5 | -63.7 | 87.7 | 0 | 0 | 0 | 109.6 | F38 L55 V75 Q77 L99 L101 V128 T129 G134 | F38-W137 HydrophobicContact CE1-CH2 4.05Å; F38-W137 AromaticContact CE1-CZ2 3.89Å; F38-W137 HydrophobicContact CE1-CZ2 3.89Å; F38-W137 AromaticContact CZ-CH2 3.96Å; F38-W137 HydrophobicContact CZ-CH2 3.96Å; F38-W137 HydrophobicContact CZ-CZ2 4.03Å; L55-W137 HydrophobicContact CD2-CZ2 4.27Å; V75-W137 HydrophobicContact CG1-CD2 3.8Å; V75-W137 HydrophobicContact CG1-CG 3.8Å; V75-W137 HydrophobicContact CG1-CZ2 4.35Å; Q77-W137 HydrophobicContact CB-CB 4.01Å; Q77-W137 HydrophobicContact CG-CB 4.05Å; L99-W137 HydrophobicContact CD2-CH2 3.36Å; L99-W137 HydrophobicContact CD2-CZ2 3.82Å; L99-W137 HydrophobicContact CD2-CZ3 4.05Å; L99-W137 HydrophobicContact CG-CH2 3.75Å; L99-W137 HydrophobicContact CG-CZ3 4.05Å; L101-W137 HydrophobicContact CB-CE3 4.48Å; L101-W137 HydrophobicContact CB-CH2 3.77Å; L101-W137 HydrophobicContact CB-CZ3 3.55Å; L101-W137 HydrophobicContact CD2-CH2 4.28Å; L101-W137 HydrophobicContact CD2-CZ3 4.44Å; V128-W137 HydrophobicContact CB-CE3 4.02Å; V128-W137 HydrophobicContact CG2-CD2 4.14Å; V128-W137 HydrophobicContact CG2-CE3 3.44Å; V128-W137 VanDerWaalsContact CG2-CE3 3.44Å; V128-W137 HydrophobicContact CG2-CZ3 3.89Å; T129-W137 CarbonylContact O-C 3.52Å; T129-W137 WeakPolarHBondContact O-CA 3.48Å; G134-W137 PolarHBondContact O-NE1 2.84Å | ||
| 138 | S | 98.8 | Very high | 98.3 | Very high | 46 Ų | 46 | 52.3 Ų | 52.3 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 164.4 | 170.9 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | Q77 V128 T129 | Q77-S138 WeakPolarHBondContact CB-O 3.36Å; V128-S138 WeakPolarHBondContact CG1-O 3.39Å; T129-S138 PolarHBondContact N-OG 2.8Å; T129-S138 PolarHBondContact O-N 3.47Å; T129-S138 PolarHBondContact O-OG 2.89Å; T129-S138 PolarHBondContact OG1-OG 2.8Å |
| 139 | S | 98.6 | Very high | 98.2 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 148 | 168.8 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 140 | P | 98.6 | Very high | 98.1 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 28% | 0.279 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 137.8 | -178.4 | 28.4 | -36.8 | 0 | 0 | 0 | 111.2 | Q77 Q79 L80 F103 Q127 V128 | Q77-P140 WeakPolarHBondContact O-CB 3.4Å; Q77-P140 WeakPolarHBondContact O-CD 3.48Å; Q79-P140 VanDerWaalsContact O-CG 3.3Å; Q79-P140 WeakPolarHBondContact O-CG 3.37Å; L80-P140 HydrophobicContact CD2-CB 4.04Å; L80-P140 HydrophobicContact CD2-CG 4.04Å; F103-P140 HydrophobicContact CZ-CB 4.49Å; Q127-P140 WeakPolarHBondContact O-CA 3.32Å; V128-P140 HydrophobicContact CG1-CB 4.12Å |
| 141 | R | 98.8 | Very high | 98.1 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 38% | 0.381 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.7 | 171 | -178 | -176.6 | 175.4 | -161.3 | -1.4 | 108.9 | C126 Q127 L143 G204 R205 | C126-R141 CarbonylContact C-O 3.59Å; C126-R141 WeakPolarHBondContact CA-O 3.01Å; Q127-R141 HydrophobicContact CG-CB 4.01Å; Q127-R141 PolarHBondContact N-O 3Å; Q127-R141 PolarHBondContact O-N 2.87Å; R141-L143 HydrophobicContact CG-CD2 3.87Å; R141-G204 PolarHBondContact NH1-O 3.29Å; R141-G204 VanDerWaalsContact NH1-O 3.12Å; R141-R205 PolarHBondContact NH2-O 3.31Å; R141-R205 VanDerWaalsContact NH2-O 3.14Å |
| 142 | D | 98.8 | Very high | 98.1 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 35% | 0.353 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 120.5 | 168.5 | -169.6 | -25.3 | 0 | 0 | 0 | 109.1 | R124 T144 | R124-D142 WeakPolarHBondContact CD-OD2 3.46Å; D142-T144 WeakPolarHBondContact OD1-CB 3.29Å; D142-T144 PolarHBondContact OD1-N 2.99Å; D142-T144 PolarHBondContact OD1-OG1 3.01Å |
| 143 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | trans | -100.7 | -3.8 | -179.1 | -56.8 | 177.8 | 0 | 0 | 0 | 112.6 | F102 L125 Q127 R141 D145 A146 A147 | F102-L143 HydrophobicContact CD1-CD1 4.08Å; F102-L143 HydrophobicContact CE1-CD1 3.99Å; L125-L143 HydrophobicContact CB-CB 4.49Å; L125-L143 HydrophobicContact CD2-CB 4.16Å; L125-L143 HydrophobicContact CD2-CD1 4.48Å; L125-L143 HydrophobicContact CG-CB 4.09Å; L125-L143 HydrophobicContact CG-CD1 4.35Å; L125-L143 PolarHBondContact O-N 2.96Å; Q127-L143 HydrophobicContact CB-CD1 4.09Å; Q127-L143 HydrophobicContact CG-CD1 3.84Å; Q127-L143 HydrophobicContact CG-CD2 4.07Å; Q127-L143 HydrophobicContact CG-CG 4.03Å; Q127-L143 VanDerWaalsContact OE1-CD1 3.29Å; R141-L143 HydrophobicContact CG-CD2 3.87Å; L143-D145 PolarHBondContact O-N 3.08Å; L143-A146 PolarHBondContact O-N 2.88Å; L143-A146 VanDerWaalsContact O-N 3.13Å; L143-A147 HydrophobicContact CB-CB 4.42Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.9Å | ||
| 144 | T | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -52.3 | -51.9 | -169.9 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | R124 L125 D142 A146 I148 G149 Y152 | R124-T144 WeakPolarHBondContact CA-OG1 3.24Å; L125-T144 PolarHBondContact N-OG1 3.08Å; D142-T144 WeakPolarHBondContact OD1-CB 3.29Å; D142-T144 PolarHBondContact OD1-N 2.99Å; D142-T144 PolarHBondContact OD1-OG1 3.01Å; T144-A146 PolarHBondContact O-N 3.11Å; T144-I148 HydrophobicContact CG2-CD1 4.26Å; T144-I148 WeakPolarHBondContact O-CA 3.46Å; T144-I148 VanDerWaalsContact O-CB 3.28Å; T144-I148 WeakPolarHBondContact O-CB 3.4Å; T144-I148 PolarHBondContact O-N 2.72Å; T144-G149 PolarHBondContact O-N 3.35Å; T144-Y152 HydrophobicContact CG2-CD2 3.46Å; T144-Y152 VanDerWaalsContact CG2-CD2 3.46Å; T144-Y152 HydrophobicContact CG2-CE2 3.35Å; T144-Y152 HydrophobicContact CG2-CG 4.49Å |
| 145 | D | 98.3 | Very high | 98.2 | Very high | 131 Ų | 131 | 63 Ų | 63 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.9 | -38.8 | -177.3 | -66.7 | -14.3 | 0 | 0 | 0 | 112.1 | L143 G149 | L143-D145 PolarHBondContact O-N 3.08Å; D145-G149 VanDerWaalsContact O-CA 3.25Å; D145-G149 WeakPolarHBondContact O-CA 3.27Å; D145-G149 PolarHBondContact O-N 2.93Å |
| 146 | A | 98 | Very high | 98.3 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76.9 | -34.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L143 T144 | L143-A146 PolarHBondContact O-N 2.88Å; L143-A146 VanDerWaalsContact O-N 3.13Å; T144-A146 PolarHBondContact O-N 3.11Å |
| 147 | A | 98.3 | Very high | 98.3 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -97.6 | -33.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L125 L143 F198 W207 | L125-A147 HydrophobicContact CD2-CB 4Å; L143-A147 HydrophobicContact CB-CB 4.42Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.9Å; A147-F198 HydrophobicContact CB-CD1 4.04Å; A147-F198 HydrophobicContact CB-CE1 4.01Å; A147-W207 HydrophobicContact CB-CB 3.63Å; A147-W207 HydrophobicContact CB-CG 4.18Å |
| 148 | I | 98.4 | Very high | 98.3 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -46.4 | -176.2 | -59.7 | 167.1 | 0 | 0 | 0 | 110.7 | L125 T144 A151 Y152 W155 F158 F198 | L125-I148 HydrophobicContact CB-CD1 4.47Å; T144-I148 HydrophobicContact CG2-CD1 4.26Å; T144-I148 WeakPolarHBondContact O-CA 3.46Å; T144-I148 VanDerWaalsContact O-CB 3.28Å; T144-I148 WeakPolarHBondContact O-CB 3.4Å; T144-I148 PolarHBondContact O-N 2.72Å; I148-A151 HydrophobicContact CG2-CB 4.17Å; I148-A151 PolarHBondContact O-N 3.1Å; I148-Y152 HydrophobicContact CG2-CD2 4.23Å; I148-W155 HydrophobicContact CB-CH2 4.44Å; I148-W155 HydrophobicContact CB-CZ3 4.27Å; I148-W155 HydrophobicContact CD1-CZ3 3.84Å; I148-W155 HydrophobicContact CG1-CH2 4.14Å; I148-W155 HydrophobicContact CG1-CZ3 3.82Å; I148-W155 HydrophobicContact CG2-CE3 3.98Å; I148-W155 HydrophobicContact CG2-CH2 3.67Å; I148-W155 HydrophobicContact CG2-CZ2 4.34Å; I148-W155 HydrophobicContact CG2-CZ3 3.45Å; I148-W155 VanDerWaalsContact CG2-CZ3 3.45Å; I148-F158 HydrophobicContact CD1-CD1 4.11Å; I148-F158 HydrophobicContact CD1-CD2 4.13Å; I148-F158 HydrophobicContact CD1-CE1 3.55Å; I148-F158 HydrophobicContact CD1-CE2 3.58Å; I148-F158 HydrophobicContact CD1-CG 4.38Å; I148-F158 HydrophobicContact CD1-CZ 3.25Å; I148-F198 HydrophobicContact CD1-CZ 4.11Å; I148-F198 HydrophobicContact CG1-CE1 3.72Å; I148-F198 HydrophobicContact CG1-CZ 3.62Å |
| 149 | G | 97.1 | Very high | 98.3 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 24% | 0.237 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | 53.8 | -131.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T144 D145 A151 Y152 | T144-G149 PolarHBondContact O-N 3.35Å; D145-G149 VanDerWaalsContact O-CA 3.25Å; D145-G149 WeakPolarHBondContact O-CA 3.27Å; D145-G149 PolarHBondContact O-N 2.93Å; G149-A151 PolarHBondContact O-N 2.92Å; G149-Y152 VanDerWaalsContact O-CB 3.3Å; G149-Y152 WeakPolarHBondContact O-CB 3.3Å; G149-Y152 PolarHBondContact O-N 2.81Å; G149-Y152 VanDerWaalsContact O-N 3.08Å |
| 150 | P | 97.3 | Very high | 98.3 | Very high | 104 Ų | 104 | 43 Ų | 43 | 68% | 0.675 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -58.9 | -23 | -175.2 | -25.3 | 34.4 | 0 | 0 | 0 | 115.4 | Y152 R153 | P150-Y152 PolarHBondContact O-N 2.89Å; P150-R153 WeakPolarHBondContact O-CG 3.47Å |
| 151 | A | 97.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -68.9 | -14.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I148 G149 R153 E154 W155 | I148-A151 HydrophobicContact CG2-CB 4.17Å; I148-A151 PolarHBondContact O-N 3.1Å; G149-A151 PolarHBondContact O-N 2.92Å; A151-R153 PolarHBondContact O-N 2.91Å; A151-E154 WeakPolarHBondContact O-CB 3.42Å; A151-E154 PolarHBondContact O-N 2.88Å; A151-W155 HydrophobicContact CB-CZ2 3.8Å |
| 152 | Y | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -55.2 | -39.9 | -176.9 | -169.8 | -96 | 0 | 0 | 0 | 113.1 | N121 V122 T123 T144 I148 G149 P150 E154 W155 F158 | N121-Y152 HydrophobicContact CB-CD1 4.34Å; N121-Y152 HydrophobicContact CB-CE1 3.85Å; N121-Y152 WeakPolarHBondContact ND2-CD2 3.34Å; N121-Y152 VanDerWaalsContact ND2-CE2 3.32Å; N121-Y152 WeakPolarHBondContact ND2-CE2 3.48Å; N121-Y152 PolarHBondContact ND2-O 2.92Å; N121-Y152 WeakPolarHBondContact O-CE1 3.34Å; N121-Y152 PolarHBondContact O-OH 3.27Å; V122-Y152 VanDerWaalsContact C-OH 3.26Å; V122-Y152 VanDerWaalsContact CA-OH 3.32Å; V122-Y152 WeakPolarHBondContact CA-OH 3.32Å; T123-Y152 PolarHBondContact N-OH 2.99Å; T123-Y152 WeakPolarHBondContact O-CE2 3.48Å; T123-Y152 PolarHBondContact O-OH 2.82Å; T144-Y152 HydrophobicContact CG2-CD2 3.46Å; T144-Y152 VanDerWaalsContact CG2-CD2 3.46Å; T144-Y152 HydrophobicContact CG2-CE2 3.35Å; T144-Y152 HydrophobicContact CG2-CG 4.49Å; I148-Y152 HydrophobicContact CG2-CD2 4.23Å; G149-Y152 VanDerWaalsContact O-CB 3.3Å; G149-Y152 WeakPolarHBondContact O-CB 3.3Å; G149-Y152 PolarHBondContact O-N 2.81Å; G149-Y152 VanDerWaalsContact O-N 3.08Å; P150-Y152 PolarHBondContact O-N 2.89Å; Y152-E154 VanDerWaalsContact C-N 3.28Å; Y152-E154 PolarHBondContact O-N 2.75Å; Y152-W155 PolarHBondContact O-N 3.04Å; Y152-F158 HydrophobicContact CD2-CE1 4.45Å; Y152-F158 HydrophobicContact CE2-CE1 4.01Å |
| 153 | R | 97.3 | Very high | 98.3 | Very high | 197 Ų | 197 | 33.1 Ų | 33.1 | 74% | 0.743 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -75.8 | -13.9 | 178.9 | 72 | -169 | 174.1 | 170.6 | 0 | 114 | P150 A151 W155 | P150-R153 WeakPolarHBondContact O-CG 3.47Å; A151-R153 PolarHBondContact O-N 2.91Å; R153-W155 VanDerWaalsContact C-N 3.3Å |
| 154 | E | 97.9 | Very high | 98.3 | Very high | 99 Ų | 99 | 33.8 Ų | 33.8 | 46% | 0.463 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -87.1 | -8.7 | -179.9 | -58.7 | 175 | -170.2 | 0 | 0 | 111.4 | A151 Y152 N184 | A151-E154 WeakPolarHBondContact O-CB 3.42Å; A151-E154 PolarHBondContact O-N 2.88Å; Y152-E154 VanDerWaalsContact C-N 3.28Å; Y152-E154 PolarHBondContact O-N 2.75Å; E154-N184 VanDerWaalsContact O-CB 3.32Å; E154-N184 WeakPolarHBondContact O-CB 3.4Å; E154-N184 PolarHBondContact O-N 2.86Å |
| 155 | W | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 145.8 | -178 | -50.8 | -18.8 | 0 | 0 | 0 | 110.2 | N121 I148 A151 Y152 R153 F158 A181 Y182 F196 R209 F212 | N121-W155 WeakPolarHBondContact CB-O 3.48Å; I148-W155 HydrophobicContact CB-CH2 4.44Å; I148-W155 HydrophobicContact CB-CZ3 4.27Å; I148-W155 HydrophobicContact CD1-CZ3 3.84Å; I148-W155 HydrophobicContact CG1-CH2 4.14Å; I148-W155 HydrophobicContact CG1-CZ3 3.82Å; I148-W155 HydrophobicContact CG2-CE3 3.98Å; I148-W155 HydrophobicContact CG2-CH2 3.67Å; I148-W155 HydrophobicContact CG2-CZ2 4.34Å; I148-W155 HydrophobicContact CG2-CZ3 3.45Å; I148-W155 VanDerWaalsContact CG2-CZ3 3.45Å; A151-W155 HydrophobicContact CB-CZ2 3.8Å; Y152-W155 PolarHBondContact O-N 3.04Å; R153-W155 VanDerWaalsContact C-N 3.3Å; W155-F158 HydrophobicContact CE3-CB 3.8Å; W155-F158 AromaticContact CE3-CD1 3.88Å; W155-F158 HydrophobicContact CE3-CD1 3.88Å; W155-F158 AromaticContact CE3-CG 3.95Å; W155-F158 HydrophobicContact CE3-CG 3.95Å; W155-F158 HydrophobicContact CZ3-CB 4.06Å; W155-F158 HydrophobicContact CZ3-CD1 4.18Å; W155-F158 AromaticContact CZ3-CG 3.99Å; W155-F158 HydrophobicContact CZ3-CG 3.99Å; W155-A181 HydrophobicContact CB-CB 4.38Å; W155-A181 HydrophobicContact CD2-CB 3.52Å; W155-A181 HydrophobicContact CE3-CB 3.71Å; W155-A181 HydrophobicContact CG-CB 3.8Å; W155-A181 HydrophobicContact CH2-CB 4.44Å; W155-A181 HydrophobicContact CZ2-CB 4.33Å; W155-A181 HydrophobicContact CZ3-CB 4.15Å; W155-Y182 CarbonylContact C-O 3.54Å; W155-Y182 WeakPolarHBondContact CA-O 3.46Å; W155-F196 HydrophobicContact CH2-CE1 4.32Å; W155-F196 HydrophobicContact CH2-CE2 4.36Å; W155-F196 AromaticContact CH2-CZ 3.76Å; W155-F196 HydrophobicContact CH2-CZ 3.76Å; W155-F196 HydrophobicContact CZ3-CZ 4.22Å; W155-R209 VanDerWaalsContact CH2-CD 3.41Å; W155-F212 AromaticContact CE2-CZ 3.92Å; W155-F212 AromaticContact CZ2-CZ 3.86Å; W155-F212 HydrophobicContact CZ2-CZ 3.86Å; W155-F212 AromaticContact NE1-CZ 3.68Å |
| 156 | S | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -39.7 | 167.8 | -72.9 | 0 | 0 | 0 | 0 | 111.1 | Q115 R119 N121 Y182 N184 P191 | Q115-S156 WeakPolarHBondContact CB-O 3.34Å; R119-S156 WeakPolarHBondContact CA-OG 3.43Å; N121-S156 WeakPolarHBondContact CA-O 3.24Å; N121-S156 WeakPolarHBondContact CB-O 3.47Å; N121-S156 PolarHBondContact N-O 2.61Å; S156-Y182 PolarHBondContact N-O 3.14Å; S156-N184 PolarHBondContact OG-OD1 3.26Å; S156-P191 WeakPolarHBondContact OG-CG 3.5Å |
| 157 | T | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 171.4 | 173.4 | -173.7 | 0 | 0 | 0 | 0 | 108.1 | E112 Q115 L116 T123 Y182 | E112-T157 HydrophobicContact CG-CG2 3.7Å; Q115-T157 PolarHBondContact OE1-OG1 3.48Å; L116-T157 HydrophobicContact CD2-CG2 4.11Å; T123-T157 PolarHBondContact OG1-OG1 2.77Å; T157-Y182 HydrophobicContact CG2-CD2 3.67Å; T157-Y182 HydrophobicContact CG2-CE2 4.3Å; T157-Y182 HydrophobicContact CG2-CG 4.46Å; T157-Y182 PolarHBondContact O-N 2.92Å |
| 158 | F | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 167.2 | 177.9 | 70.5 | -82 | 0 | 0 | 0 | 110.1 | I104 T123 L125 I148 Y152 W155 Y180 A181 | I104-F158 HydrophobicContact CG2-CE2 4.4Å; T123-F158 HydrophobicContact CG2-CD1 4.39Å; T123-F158 HydrophobicContact CG2-CE1 3.97Å; T123-F158 HydrophobicContact CG2-CE2 4.43Å; T123-F158 HydrophobicContact CG2-CZ 3.98Å; T123-F158 WeakPolarHBondContact O-CE1 3.36Å; L125-F158 HydrophobicContact CB-CE2 3.94Å; L125-F158 HydrophobicContact CB-CZ 4.02Å; I148-F158 HydrophobicContact CD1-CD1 4.11Å; I148-F158 HydrophobicContact CD1-CD2 4.13Å; I148-F158 HydrophobicContact CD1-CE1 3.55Å; I148-F158 HydrophobicContact CD1-CE2 3.58Å; I148-F158 HydrophobicContact CD1-CG 4.38Å; I148-F158 HydrophobicContact CD1-CZ 3.25Å; Y152-F158 HydrophobicContact CD2-CE1 4.45Å; Y152-F158 HydrophobicContact CE2-CE1 4.01Å; W155-F158 HydrophobicContact CE3-CB 3.8Å; W155-F158 AromaticContact CE3-CD1 3.88Å; W155-F158 HydrophobicContact CE3-CD1 3.88Å; W155-F158 AromaticContact CE3-CG 3.95Å; W155-F158 HydrophobicContact CE3-CG 3.95Å; W155-F158 HydrophobicContact CZ3-CB 4.06Å; W155-F158 HydrophobicContact CZ3-CD1 4.18Å; W155-F158 AromaticContact CZ3-CG 3.99Å; W155-F158 HydrophobicContact CZ3-CG 3.99Å; F158-Y180 CarbonylContact C-O 3.26Å; F158-Y180 VanDerWaalsContact CA-O 3.25Å; F158-Y180 WeakPolarHBondContact CA-O 3.47Å; F158-Y180 VanDerWaalsContact CB-O 3.28Å; F158-Y180 WeakPolarHBondContact CB-O 3.25Å; F158-A181 HydrophobicContact CB-CB 3.74Å |
| 159 | A | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 165.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | N87 I104 A179 Y180 | N87-A159 WeakPolarHBondContact ND2-CB 3.1Å; I104-A159 HydrophobicContact CD1-CB 3.92Å; I104-A159 HydrophobicContact CG2-CB 4.49Å; A159-A179 VanDerWaalsContact O-CA 3.26Å; A159-A179 WeakPolarHBondContact O-CA 3.49Å; A159-A179 VanDerWaalsContact O-CB 3.31Å; A159-A179 WeakPolarHBondContact O-CB 3.43Å; A159-Y180 HydrophobicContact CB-CD1 4.42Å; A159-Y180 HydrophobicContact CB-CE1 3.66Å; A159-Y180 PolarHBondContact N-O 3.4Å; A159-Y180 PolarHBondContact O-N 2.98Å |
| 160 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 152.3 | 170.9 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | N87 C89 I104 L125 V177 P178 A179 F198 | N87-V160 HydrophobicContact CB-CG2 4.46Å; N87-V160 WeakPolarHBondContact CB-O 3.23Å; N87-V160 PolarHBondContact ND2-O 3.12Å; C89-V160 HydrophobicContact CB-CG2 4.13Å; C89-V160 VanDerWaalsContact SG-CG2 3.59Å; I104-V160 HydrophobicContact CG2-CG2 4.16Å; L125-V160 HydrophobicContact CD1-CG1 3.64Å; L125-V160 HydrophobicContact CD1-CG2 4.39Å; V160-V177 HydrophobicContact CB-CG1 3.92Å; V160-V177 HydrophobicContact CG1-CG1 3.69Å; V160-P178 CarbonylContact C-O 3.47Å; V160-P178 WeakPolarHBondContact CA-O 3.1Å; V160-A179 HydrophobicContact CG1-CB 4.2Å; V160-F198 HydrophobicContact CG1-CD2 4.3Å; V160-F198 HydrophobicContact CG1-CE2 4.19Å |
| 161 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | 44.7 | -118.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C89 P178 E219 | C89-G161 VanDerWaalsContact SG-CA 3.6Å; G161-P178 PolarHBondContact N-O 2.94Å; G161-E219 WeakPolarHBondContact O-CB 3.35Å | ||
| 162 | P | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | S | Bend | cis | -75.5 | 173.5 | 1.2 | 32.1 | -37.1 | 0 | 0 | 0 | 113.4 | I23 N87 Q221 Q274 Y335 | I23-P162 HydrophobicContact CG2-CB 3.27Å; I23-P162 HydrophobicContact CG2-CG 3.59Å; N87-P162 HydrophobicContact CB-CB 4.26Å; P162-Q221 PolarHBondContact O-NE2 3.3Å; P162-Q221 VanDerWaalsContact O-NE2 3.15Å; P162-Q274 HydrophobicContact CG-CG 4.21Å; P162-Y335 HydrophobicContact CG-CD2 3.88Å; P162-Y335 HydrophobicContact CG-CE2 3.97Å |
| 163 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 98.2 | -175.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | P88 C89 D337 | P88-G163 PolarHBondContact O-N 2.76Å; P88-G163 VanDerWaalsContact O-N 3.17Å; C89-G163 VanDerWaalsContact CA-O 3.31Å; C89-G163 WeakPolarHBondContact CA-O 3.21Å; G163-D337 VanDerWaalsContact CA-OD2 3.24Å; G163-D337 WeakPolarHBondContact CA-OD2 3.39Å |
| 164 | H | 98.9 | Very high | 98.3 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 7% | 0.069 | 14% | 0.144 | C | C | . | . | trans | -56.8 | 144.2 | -174.2 | 75.4 | -77.5 | 0 | 0 | 0 | 113.3 | Q221 I278 D337 L338 Q339 | H164-Q221 PolarHBondContact CE1-OE1 2.79Å; H164-Q221 VanDerWaalsContact CE1-OE1 3.29Å; H164-I278 WeakPolarHBondContact CE1-CG2 3.4Å; H164-I278 WeakPolarHBondContact NE2-CG2 3.4Å; H164-D337 IonicContact CE1-OD1 3.33Å; H164-D337 IonicContact CG-OD1 3.08Å; H164-D337 PolarHBondContact N-OD1 3Å; H164-D337 PolarHBondContact N-OD2 2.52Å; H164-D337 IonicContact ND1-OD1 2.8Å; H164-D337 PolarHBondContact ND1-OD1 3.42Å; H164-D337 IonicContact ND1-OD2 3.5Å; H164-L338 PolarHBondContact CE1-O 3.48Å; H164-L338 PolarHBondContact ND1-O 2.99Å; H164-Q339 PolarHBondContact CD2-NE2 3.19Å | ||
| 165 | C | 98.9 | Very high | 98.3 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 7% | 0.068 | 12% | 0.122 | C | C | . | . | trans | -92.7 | 179 | 169.7 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | P90 L91 V176 V177 | P90-C165 PolarHBondContact O-N 3.28Å; L91-C165 HydrophobicContact CB-CB 3.96Å; L91-C165 HydrophobicContact CD1-CB 3.63Å; L91-C165 HydrophobicContact CG-CB 4.29Å; C165-V176 WeakPolarHBondContact CB-O 3.31Å; C165-V177 HydrophobicContact CB-CG2 4.4Å | ||
| 166 | L | 98.9 | Very high | 98.3 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 11% | 0.11 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.2 | -174.4 | 176.2 | 66.9 | 0 | 0 | 0 | 111.1 | L91 L168 V176 V222 E224 V233 | L91-L166 WeakPolarHBondContact CD1-O 3.47Å; L166-L168 HydrophobicContact CD2-CD2 3.56Å; L166-L168 HydrophobicContact CG-CD2 3.94Å; L166-V176 HydrophobicContact CB-CB 4.25Å; L166-V176 PolarHBondContact N-O 3.27Å; L166-V176 PolarHBondContact O-N 2.82Å; L166-V222 HydrophobicContact CB-CG2 3.87Å; L166-V222 HydrophobicContact CD2-CB 4.26Å; L166-V222 HydrophobicContact CD2-CG2 3.85Å; L166-E224 HydrophobicContact CD1-CB 4.45Å; L166-E224 HydrophobicContact CD2-CB 4.23Å; L166-V233 HydrophobicContact CD2-CG1 4.47Å |
| 167 | Q | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 12% | 0.117 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.2 | 162.2 | -177.5 | 167 | 40.2 | 0 | 0 | 108.3 | Y92 D93 Q173 S174 L175 | Y92-Q167 PolarHBondContact O-OE1 2.69Å; D93-Q167 PolarHBondContact OD1-NE2 3.12Å; Q167-Q173 HydrophobicContact CG-CB 4.39Å; Q167-Q173 PolarHBondContact NE2-O 3.5Å; Q167-Q173 VanDerWaalsContact NE2-O 3.08Å; Q167-S174 CarbonylContact C-O 3.51Å; Q167-S174 WeakPolarHBondContact CA-O 3.42Å; Q167-L175 HydrophobicContact CB-CD2 4.4Å; Q167-L175 HydrophobicContact CG-CD2 4.1Å |
| 168 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -80.7 | 151.6 | -178.3 | -60.3 | -178.8 | 0 | 0 | 0 | 111.6 | L166 D170 Q173 S174 V176 E224 V233 D252 | L166-L168 HydrophobicContact CD2-CD2 3.56Å; L166-L168 HydrophobicContact CG-CD2 3.94Å; L168-D170 HydrophobicContact CB-CB 4.42Å; L168-D170 PolarHBondContact O-N 3.01Å; L168-Q173 WeakPolarHBondContact O-CA 3.39Å; L168-Q173 PolarHBondContact O-NE2 2.94Å; L168-S174 PolarHBondContact N-O 3.48Å; L168-V176 HydrophobicContact CD1-CG2 3.72Å; L168-V176 HydrophobicContact CD2-CG2 4.06Å; L168-V176 HydrophobicContact CG-CG2 3.68Å; L168-E224 HydrophobicContact CD2-CB 4.07Å; L168-E224 HydrophobicContact CD2-CG 4.29Å; L168-V233 HydrophobicContact CD1-CG2 4.42Å; L168-V233 HydrophobicContact CD2-CG2 3.74Å; L168-D252 HydrophobicContact CD1-CB 3.53Å | ||
| 169 | H | 96.6 | Very high | 98.4 | Very high | 135 Ų | 135 | 26.4 Ų | 26.4 | 63% | 0.625 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -86.9 | 33.5 | 171.8 | -58.7 | 85.6 | 0 | 0 | 0 | 112.1 | E224 R231 | H169-E224 WeakPolarHBondContact CB-OE2 3.47Å; H169-E224 IonicContact CE1-OE2 3.89Å; H169-E224 IonicContact CG-OE2 2.76Å; H169-E224 PolarHBondContact N-OE1 2.57Å; H169-E224 PolarHBondContact N-OE2 2.77Å; H169-E224 IonicContact ND1-OE2 3.9Å; H169-E224 PolarHBondContact ND1-OE2 2.95Å; H169-R231 PolarHBondContact O-NH1 2.9Å |
| 170 | D | 96.1 | Very high | 98.4 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 10% | 0.096 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -81.2 | 175.3 | 170.6 | 83.3 | -59.1 | 0 | 0 | 0 | 111.6 | L168 A172 Q173 S174 | L168-D170 HydrophobicContact CB-CB 4.42Å; L168-D170 PolarHBondContact O-N 3.01Å; D170-A172 PolarHBondContact O-N 3.48Å; D170-A172 WeakPolarHBondContact OD2-CB 3.28Å; D170-A172 PolarHBondContact OD2-N 3.17Å; D170-Q173 PolarHBondContact O-N 2.97Å; D170-Q173 PolarHBondContact O-NE2 2.87Å; D170-Q173 WeakPolarHBondContact OD1-CA 3.45Å; D170-Q173 PolarHBondContact OD1-N 2.87Å; D170-Q173 VanDerWaalsContact OD1-N 3.12Å; D170-S174 VanDerWaalsContact CG-OG 3.23Å; D170-S174 VanDerWaalsContact OD1-CB 3.32Å; D170-S174 WeakPolarHBondContact OD1-CB 3.26Å; D170-S174 PolarHBondContact OD1-N 2.83Å; D170-S174 PolarHBondContact OD1-OG 2.83Å; D170-S174 PolarHBondContact OD2-OG 3.25Å |
| 171 | R | 96.3 | Very high | 98.4 | Very high | 250 Ų | 250 | 26.9 Ų | 26.9 | 94% | 0.943 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.8 | -176.9 | -175.8 | 178 | 178 | -172.7 | 0.1 | 112.1 | ||
| 172 | A | 97.4 | Very high | 98.4 | Very high | 31 Ų | 31 | 28 Ų | 28 | 26% | 0.256 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -4.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D170 S174 H201 | D170-A172 PolarHBondContact O-N 3.48Å; D170-A172 WeakPolarHBondContact OD2-CB 3.28Å; D170-A172 PolarHBondContact OD2-N 3.17Å; A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 3.13Å; A172-H201 HydrophobicContact CB-CB 4.25Å |
| 173 | Q | 97.9 | Very high | 98.3 | Very high | 41 Ų | 41 | 31 Ų | 31 | 19% | 0.192 | 14% | 0.138 | C | C | . | . | trans | 52.6 | 49.2 | -174.4 | -64.1 | -68.9 | -68.1 | 0 | 0 | 111.3 | Q167 L168 D170 | Q167-Q173 HydrophobicContact CG-CB 4.39Å; Q167-Q173 PolarHBondContact NE2-O 3.5Å; Q167-Q173 VanDerWaalsContact NE2-O 3.08Å; L168-Q173 WeakPolarHBondContact O-CA 3.39Å; L168-Q173 PolarHBondContact O-NE2 2.94Å; D170-Q173 PolarHBondContact O-N 2.97Å; D170-Q173 PolarHBondContact O-NE2 2.87Å; D170-Q173 WeakPolarHBondContact OD1-CA 3.45Å; D170-Q173 PolarHBondContact OD1-N 2.87Å; D170-Q173 VanDerWaalsContact OD1-N 3.12Å | ||
| 174 | S | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | trans | -62.3 | 140.7 | -168.5 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | Q167 L168 D170 A172 S200 H201 | Q167-S174 CarbonylContact C-O 3.51Å; Q167-S174 WeakPolarHBondContact CA-O 3.42Å; L168-S174 PolarHBondContact N-O 3.48Å; D170-S174 VanDerWaalsContact CG-OG 3.23Å; D170-S174 VanDerWaalsContact OD1-CB 3.32Å; D170-S174 WeakPolarHBondContact OD1-CB 3.26Å; D170-S174 PolarHBondContact OD1-N 2.83Å; D170-S174 PolarHBondContact OD1-OG 2.83Å; D170-S174 PolarHBondContact OD2-OG 3.25Å; A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 3.13Å; S174-S200 CarbonylContact C-O 3.46Å; S174-S200 VanDerWaalsContact CA-O 3.29Å; S174-S200 WeakPolarHBondContact CA-O 3.49Å; S174-H201 PolarHBondContact OG-ND1 3.42Å | ||
| 175 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.2 | 178.2 | -45.8 | -175 | 0 | 0 | 0 | 109.3 | L91 D93 F100 Q167 L199 S200 W207 | L91-L175 HydrophobicContact CD1-CB 4.08Å; L91-L175 HydrophobicContact CD1-CD2 4.16Å; L91-L175 HydrophobicContact CD2-CD1 4.25Å; L91-L175 HydrophobicContact CD2-CD2 3.63Å; L91-L175 HydrophobicContact CD2-CG 4.41Å; D93-L175 HydrophobicContact CB-CD2 4.47Å; F100-L175 HydrophobicContact CE2-CD1 4.16Å; F100-L175 HydrophobicContact CZ-CD1 4.28Å; Q167-L175 HydrophobicContact CB-CD2 4.4Å; Q167-L175 HydrophobicContact CG-CD2 4.1Å; L175-L199 CarbonylContact O-C 3.54Å; L175-L199 WeakPolarHBondContact O-CA 3.2Å; L175-S200 PolarHBondContact N-O 2.8Å; L175-S200 PolarHBondContact O-N 3.27Å; L175-W207 HydrophobicContact CB-CH2 4.2Å; L175-W207 HydrophobicContact CD1-CH2 4.5Å |
| 176 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.1 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 109 | C165 L166 L168 C197 F198 L199 V222 | C165-V176 WeakPolarHBondContact CB-O 3.31Å; L166-V176 HydrophobicContact CB-CB 4.25Å; L166-V176 PolarHBondContact N-O 3.27Å; L166-V176 PolarHBondContact O-N 2.82Å; L168-V176 HydrophobicContact CD1-CG2 3.72Å; L168-V176 HydrophobicContact CD2-CG2 4.06Å; L168-V176 HydrophobicContact CG-CG2 3.68Å; V176-C197 HydrophobicContact CG1-CB 3.79Å; V176-F198 WeakPolarHBondContact CA-O 3.5Å; V176-L199 HydrophobicContact CB-CD2 4.24Å; V176-L199 HydrophobicContact CG1-CD2 3.89Å; V176-L199 HydrophobicContact CG2-CD2 3.75Å; V176-V222 HydrophobicContact CG1-CG2 3.88Å |
| 177 | V | 98.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 109 | 178.2 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | F102 V160 C165 C197 F198 W207 | F102-V177 HydrophobicContact CD2-CG2 3.79Å; F102-V177 HydrophobicContact CE2-CG2 3.7Å; F102-V177 HydrophobicContact CG-CG2 4.26Å; F102-V177 HydrophobicContact CZ-CG2 4.1Å; V160-V177 HydrophobicContact CB-CG1 3.92Å; V160-V177 HydrophobicContact CG1-CG1 3.69Å; C165-V177 HydrophobicContact CB-CG2 4.4Å; V177-C197 CarbonylContact O-C 3.52Å; V177-C197 WeakPolarHBondContact O-CA 3.25Å; V177-F198 HydrophobicContact CB-CB 4.25Å; V177-F198 PolarHBondContact N-O 2.79Å; V177-F198 PolarHBondContact O-N 2.94Å; V177-W207 HydrophobicContact CB-CZ3 4.47Å; V177-W207 HydrophobicContact CG2-CH2 3.71Å; V177-W207 HydrophobicContact CG2-CZ3 3.71Å |
| 178 | P | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 143.8 | 177.6 | 27.4 | -33.2 | 0 | 0 | 0 | 110.7 | V160 G161 C220 V222 | V160-P178 CarbonylContact C-O 3.47Å; V160-P178 WeakPolarHBondContact CA-O 3.1Å; G161-P178 PolarHBondContact N-O 2.94Å; P178-C220 WeakPolarHBondContact CB-O 3.32Å; P178-V222 HydrophobicContact CB-CG1 4.47Å; P178-V222 HydrophobicContact CB-CG2 4.36Å; P178-V222 HydrophobicContact CG-CG2 4.44Å |
| 179 | A | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 168.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A159 V160 A195 F196 F198 | A159-A179 VanDerWaalsContact O-CA 3.26Å; A159-A179 WeakPolarHBondContact O-CA 3.49Å; A159-A179 VanDerWaalsContact O-CB 3.31Å; A159-A179 WeakPolarHBondContact O-CB 3.43Å; V160-A179 HydrophobicContact CG1-CB 4.2Å; A179-A195 CarbonylContact O-C 3.58Å; A179-A195 VanDerWaalsContact O-CA 3.26Å; A179-A195 WeakPolarHBondContact O-CA 3.24Å; A179-F196 HydrophobicContact CB-CD1 4.24Å; A179-F196 HydrophobicContact CB-CD2 4.44Å; A179-F196 HydrophobicContact CB-CE1 3.76Å; A179-F196 HydrophobicContact CB-CE2 3.96Å; A179-F196 HydrophobicContact CB-CZ 3.6Å; A179-F196 PolarHBondContact N-O 3.15Å; A179-F196 PolarHBondContact O-N 3.38Å; A179-F198 HydrophobicContact CB-CD2 3.95Å; A179-F198 HydrophobicContact CB-CE2 3.8Å |
| 180 | Y | 98.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 154.3 | 167.1 | 72.4 | -80 | 0 | 0 | 0 | 110.8 | F158 A159 Y182 P193 S194 L218 E219 | F158-Y180 CarbonylContact C-O 3.26Å; F158-Y180 VanDerWaalsContact CA-O 3.25Å; F158-Y180 WeakPolarHBondContact CA-O 3.47Å; F158-Y180 VanDerWaalsContact CB-O 3.28Å; F158-Y180 WeakPolarHBondContact CB-O 3.25Å; A159-Y180 HydrophobicContact CB-CD1 4.42Å; A159-Y180 HydrophobicContact CB-CE1 3.66Å; A159-Y180 PolarHBondContact N-O 3.4Å; A159-Y180 PolarHBondContact O-N 2.98Å; Y180-Y182 HydrophobicContact CD2-CE2 4.37Å; Y180-Y182 HydrophobicContact CE2-CD2 4.16Å; Y180-Y182 AromaticContact CE2-CE2 3.67Å; Y180-Y182 HydrophobicContact CE2-CE2 3.67Å; Y180-P193 HydrophobicContact CD2-CB 4.29Å; Y180-S194 WeakPolarHBondContact CA-O 3.3Å; Y180-L218 HydrophobicContact CD2-CB 4.43Å; Y180-E219 HydrophobicContact CD1-CG 4.45Å; Y180-E219 HydrophobicContact CE1-CG 3.81Å |
| 181 | A | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | W155 F158 R183 P193 S194 F196 F212 | W155-A181 HydrophobicContact CB-CB 4.38Å; W155-A181 HydrophobicContact CD2-CB 3.52Å; W155-A181 HydrophobicContact CE3-CB 3.71Å; W155-A181 HydrophobicContact CG-CB 3.8Å; W155-A181 HydrophobicContact CH2-CB 4.44Å; W155-A181 HydrophobicContact CZ2-CB 4.33Å; W155-A181 HydrophobicContact CZ3-CB 4.15Å; F158-A181 HydrophobicContact CB-CB 3.74Å; A181-R183 PolarHBondContact O-N 2.79Å; A181-P193 CarbonylContact O-C 3.59Å; A181-P193 VanDerWaalsContact O-CA 3.31Å; A181-P193 WeakPolarHBondContact O-CA 3.13Å; A181-S194 PolarHBondContact N-O 2.77Å; A181-S194 PolarHBondContact O-N 2.79Å; A181-F196 HydrophobicContact CB-CE1 3.92Å; A181-F212 HydrophobicContact CB-CE1 4.09Å; A181-F212 HydrophobicContact CB-CZ 4.37Å |
| 182 | Y | 98.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 104.3 | 173.2 | -78.1 | -87.4 | 0 | 0 | 0 | 110.6 | L116 W155 S156 T157 Y180 P191 P193 L218 | L116-Y182 HydrophobicContact CD1-CE1 4.31Å; L116-Y182 HydrophobicContact CD2-CD1 3.46Å; L116-Y182 VanDerWaalsContact CD2-CD1 3.46Å; L116-Y182 HydrophobicContact CD2-CD2 3.68Å; L116-Y182 HydrophobicContact CD2-CE1 3.97Å; L116-Y182 HydrophobicContact CD2-CE2 4.13Å; L116-Y182 HydrophobicContact CD2-CG 3.3Å; W155-Y182 CarbonylContact C-O 3.54Å; W155-Y182 WeakPolarHBondContact CA-O 3.46Å; S156-Y182 PolarHBondContact N-O 3.14Å; T157-Y182 HydrophobicContact CG2-CD2 3.67Å; T157-Y182 HydrophobicContact CG2-CE2 4.3Å; T157-Y182 HydrophobicContact CG2-CG 4.46Å; T157-Y182 PolarHBondContact O-N 2.92Å; Y180-Y182 HydrophobicContact CD2-CE2 4.37Å; Y180-Y182 HydrophobicContact CE2-CD2 4.16Å; Y180-Y182 AromaticContact CE2-CE2 3.67Å; Y180-Y182 HydrophobicContact CE2-CE2 3.67Å; Y182-P191 HydrophobicContact CD1-CB 4.43Å; Y182-P193 HydrophobicContact CD1-CB 3.72Å; Y182-P193 HydrophobicContact CD1-CG 4.11Å; Y182-P193 HydrophobicContact CD2-CB 4.46Å; Y182-P193 HydrophobicContact CE1-CB 3.62Å; Y182-P193 HydrophobicContact CE1-CG 3.7Å; Y182-P193 HydrophobicContact CE2-CB 4.4Å; Y182-P193 HydrophobicContact CG-CB 4.15Å; Y182-L218 WeakPolarHBondContact OH-CD2 3.37Å |
| 183 | R | 98.1 | Very high | 96.1 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131.7 | -170 | -59.5 | 172 | 67 | -163.4 | 2.2 | 111.9 | A181 L185 P191 S192 F212 | A181-R183 PolarHBondContact O-N 2.79Å; R183-L185 HydrophobicContact CB-CD1 4.45Å; R183-L185 HydrophobicContact CB-CD2 3.94Å; R183-L185 HydrophobicContact CB-CG 3.84Å; R183-L185 PolarHBondContact O-N 2.67Å; R183-P191 VanDerWaalsContact O-CA 3.31Å; R183-P191 WeakPolarHBondContact O-CA 3.07Å; R183-S192 PolarHBondContact N-O 2.89Å; R183-S192 PolarHBondContact O-N 2.88Å; R183-F212 HydrophobicContact CG-CE1 4.21Å; R183-F212 HydrophobicContact CG-CE2 4.17Å; R183-F212 HydrophobicContact CG-CZ 3.92Å; R183-F212 VanDerWaalsContact NE-CD2 3.34Å; R183-F212 VanDerWaalsContact NE-CE2 3.34Å |
| 184 | N | 96.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | trans | -82.9 | 61.1 | 176.8 | -63.2 | -28.8 | 0 | 0 | 0 | 111.3 | E154 S156 P191 | E154-N184 VanDerWaalsContact O-CB 3.32Å; E154-N184 WeakPolarHBondContact O-CB 3.4Å; E154-N184 PolarHBondContact O-N 2.86Å; S156-N184 PolarHBondContact OG-OD1 3.26Å; N184-P191 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 185 | L | 93.9 | Very high | 96.1 | Very high | 65 Ų | 65 | 46.3 Ų | 46.3 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | trans | -70.9 | -32.3 | -173.9 | -60.7 | -179.7 | 0 | 0 | 0 | 113.8 | R183 Q215 | R183-L185 HydrophobicContact CB-CD1 4.45Å; R183-L185 HydrophobicContact CB-CD2 3.94Å; R183-L185 HydrophobicContact CB-CG 3.84Å; R183-L185 PolarHBondContact O-N 2.67Å; L185-Q215 HydrophobicContact CD1-CG 4.41Å | ||
| 186 | H | 91.1 | Very high | 96.1 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 43% | 0.426 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -131.4 | 138.5 | -176.4 | -66.3 | -61.4 | 0 | 0 | 0 | 110.8 | R119 I188 Q189 | R119-H186 PolarHBondContact NH1-O 2.91Å; R119-H186 PolarHBondContact NH2-O 2.9Å; H186-I188 PolarHBondContact O-N 2.92Å; H186-Q189 HydrophobicContact CB-CB 3.95Å; H186-Q189 HydrophobicContact CB-CG 4.12Å; H186-Q189 PolarHBondContact CD2-OE1 3.03Å |
| 187 | P | 87 | Confident | 96.1 | Very high | 118 Ų | 118 | 46.3 Ų | 46.3 | 77% | 0.766 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -62.3 | -25.6 | -178.8 | -24.8 | 34 | 0 | 0 | 0 | 114.9 | R119 | R119-P187 PolarHBondContact NH1-O 2.81Å; R119-P187 PolarHBondContact NH2-O 2.84Å |
| 188 | I | 88.8 | Confident | 96.1 | Very high | 162 Ų | 162 | 46.3 Ų | 46.3 | 83% | 0.831 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -108.7 | -44.5 | -172.6 | -58.1 | 172.1 | 0 | 0 | 0 | 111.6 | H186 | H186-I188 PolarHBondContact O-N 2.92Š|
| 189 | Q | 92.1 | Very high | 96.1 | Very high | 124 Ų | 124 | 46.5 Ų | 46.5 | 58% | 0.579 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -67.5 | 150.7 | -179.4 | -56.6 | 179.2 | 0.7 | 0 | 0 | 110.5 | R119 H186 | R119-Q189 PolarHBondContact NH2-O 2.85Å; H186-Q189 HydrophobicContact CB-CB 3.95Å; H186-Q189 HydrophobicContact CB-CG 4.12Å; H186-Q189 PolarHBondContact CD2-OE1 3.03Å |
| 190 | R | 92.5 | Very high | 96.1 | Very high | 231 Ų | 231 | 46.5 Ų | 46.5 | 87% | 0.872 | 22% | 0.224 | S | C | * | . | P | Polyproline II helix | trans | -59.9 | 146.5 | 176.9 | -69.3 | -174.9 | -179.9 | -178.1 | 0.6 | 110 | S192 | R190-S192 PolarHBondContact O-N 3.25Š|
| 191 | P | 96.2 | Very high | 96.1 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.104 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -53 | 131.3 | 172.3 | -23.6 | 32.7 | 0 | 0 | 0 | 110.6 | L116 R119 S156 Y182 R183 N184 | L116-P191 HydrophobicContact CD2-CB 4.45Å; R119-P191 HydrophobicContact CG-CG 4.47Å; S156-P191 WeakPolarHBondContact OG-CG 3.5Å; Y182-P191 HydrophobicContact CD1-CB 4.43Å; R183-P191 VanDerWaalsContact O-CA 3.31Å; R183-P191 WeakPolarHBondContact O-CA 3.07Å; N184-P191 WeakPolarHBondContact OD1-CG 3.43Å |
| 192 | S | 95.9 | Very high | 96.1 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.2 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | R183 R190 D216 | R183-S192 PolarHBondContact N-O 2.89Å; R183-S192 PolarHBondContact O-N 2.88Å; R190-S192 PolarHBondContact O-N 3.25Å; S192-D216 PolarHBondContact OG-N 2.83Å; S192-D216 PolarHBondContact OG-OD1 3.11Å |
| 193 | P | 97.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 145 | 177.6 | 33.1 | -34 | 0 | 0 | 0 | 110.6 | Y180 A181 Y182 D216 T217 L218 | Y180-P193 HydrophobicContact CD2-CB 4.29Å; A181-P193 CarbonylContact O-C 3.59Å; A181-P193 VanDerWaalsContact O-CA 3.31Å; A181-P193 WeakPolarHBondContact O-CA 3.13Å; Y182-P193 HydrophobicContact CD1-CB 3.72Å; Y182-P193 HydrophobicContact CD1-CG 4.11Å; Y182-P193 HydrophobicContact CD2-CB 4.46Å; Y182-P193 HydrophobicContact CE1-CB 3.62Å; Y182-P193 HydrophobicContact CE1-CG 3.7Å; Y182-P193 HydrophobicContact CE2-CB 4.4Å; Y182-P193 HydrophobicContact CG-CB 4.15Å; P193-D216 PolarHBondContact O-N 3.46Å; P193-T217 CarbonylContact C-O 3.54Å; P193-T217 VanDerWaalsContact C-O 3.26Å; P193-T217 WeakPolarHBondContact CB-O 3.22Å; P193-T217 PolarHBondContact O-N 2.91Å; P193-L218 HydrophobicContact CB-CG 4.27Å; P193-L218 HydrophobicContact CG-CD1 4.45Å; P193-L218 HydrophobicContact CG-CG 4.02Å |
| 194 | S | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 131 | 170.4 | -50.7 | 0 | 0 | 0 | 0 | 110 | Y180 A181 F212 T217 | Y180-S194 WeakPolarHBondContact CA-O 3.3Å; A181-S194 PolarHBondContact N-O 2.77Å; A181-S194 PolarHBondContact O-N 2.79Å; S194-F212 WeakPolarHBondContact O-CD1 3.46Å; S194-T217 WeakPolarHBondContact CA-OG1 3.27Å; S194-T217 PolarHBondContact N-O 2.8Å |
| 195 | A | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 152.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A179 F212 V213 T217 C220 L235 A237 | A179-A195 CarbonylContact O-C 3.58Å; A179-A195 VanDerWaalsContact O-CA 3.26Å; A179-A195 WeakPolarHBondContact O-CA 3.24Å; A195-F212 WeakPolarHBondContact O-CA 3.24Å; A195-V213 HydrophobicContact CB-CG2 3.72Å; A195-V213 WeakPolarHBondContact O-CG2 3.48Å; A195-V213 PolarHBondContact O-N 3.02Å; A195-T217 PolarHBondContact N-OG1 3.39Å; A195-C220 HydrophobicContact CB-CB 4.16Å; A195-L235 HydrophobicContact CB-CD1 4.42Å; A195-L235 HydrophobicContact CB-CD2 4.28Å; A195-A237 HydrophobicContact CB-CB 4.33Å |
| 196 | F | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | -172.6 | 176.5 | 69.2 | -78 | 0 | 0 | 0 | 108.9 | W155 A179 A181 F198 R209 F212 | W155-F196 HydrophobicContact CH2-CE1 4.32Å; W155-F196 HydrophobicContact CH2-CE2 4.36Å; W155-F196 AromaticContact CH2-CZ 3.76Å; W155-F196 HydrophobicContact CH2-CZ 3.76Å; W155-F196 HydrophobicContact CZ3-CZ 4.22Å; A179-F196 HydrophobicContact CB-CD1 4.24Å; A179-F196 HydrophobicContact CB-CD2 4.44Å; A179-F196 HydrophobicContact CB-CE1 3.76Å; A179-F196 HydrophobicContact CB-CE2 3.96Å; A179-F196 HydrophobicContact CB-CZ 3.6Å; A179-F196 PolarHBondContact N-O 3.15Å; A179-F196 PolarHBondContact O-N 3.38Å; A181-F196 HydrophobicContact CB-CE1 3.92Å; F196-F198 HydrophobicContact CE2-CD1 4.09Å; F196-F198 AromaticContact CE2-CD2 3.97Å; F196-F198 HydrophobicContact CE2-CD2 3.97Å; F196-F198 AromaticContact CE2-CE1 3.76Å; F196-F198 HydrophobicContact CE2-CE1 3.76Å; F196-F198 AromaticContact CE2-CE2 3.63Å; F196-F198 HydrophobicContact CE2-CE2 3.63Å; F196-F198 HydrophobicContact CE2-CG 4.19Å; F196-F198 AromaticContact CE2-CZ 3.52Å; F196-F198 HydrophobicContact CE2-CZ 3.52Å; F196-F198 HydrophobicContact CZ-CD2 4.39Å; F196-F198 HydrophobicContact CZ-CE1 4.24Å; F196-F198 AromaticContact CZ-CE2 3.66Å; F196-F198 HydrophobicContact CZ-CE2 3.66Å; F196-F198 AromaticContact CZ-CZ 3.57Å; F196-F198 HydrophobicContact CZ-CZ 3.57Å; F196-R209 HydrophobicContact CD2-CG 3.72Å; F196-R209 HydrophobicContact CE2-CG 3.65Å; F196-F212 HydrophobicContact CB-CD1 3.94Å; F196-F212 HydrophobicContact CB-CE1 4.32Å; F196-F212 AromaticContact CD1-CD1 3.81Å; F196-F212 HydrophobicContact CD1-CD1 3.81Å; F196-F212 AromaticContact CD1-CE1 3.43Å; F196-F212 HydrophobicContact CD1-CE1 3.43Å; F196-F212 VanDerWaalsContact CD1-CE1 3.43Å; F196-F212 HydrophobicContact CD1-CZ 4.44Å; F196-F212 AromaticContact CE1-CE1 3.95Å; F196-F212 HydrophobicContact CE1-CE1 3.95Å; F196-F212 HydrophobicContact CG-CD1 4.14Å; F196-F212 HydrophobicContact CG-CE1 4.01Å |
| 197 | C | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 147.3 | 173 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | V176 V177 L199 G210 | V176-C197 HydrophobicContact CG1-CB 3.79Å; V177-C197 CarbonylContact O-C 3.52Å; V177-C197 WeakPolarHBondContact O-CA 3.25Å; C197-L199 HydrophobicContact CB-CD2 4.25Å; C197-G210 WeakPolarHBondContact O-CA 3.44Å; C197-G210 PolarHBondContact O-N 3.08Å |
| 198 | F | 98.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 141.2 | 158.5 | -63.2 | -78.9 | 0 | 0 | 0 | 109.5 | L125 A147 I148 V160 V176 V177 A179 F196 W207 V208 R209 | L125-F198 HydrophobicContact CD2-CD2 4.27Å; L125-F198 HydrophobicContact CD2-CE1 4.48Å; L125-F198 HydrophobicContact CD2-CE2 3.97Å; L125-F198 HydrophobicContact CD2-CZ 4.08Å; A147-F198 HydrophobicContact CB-CD1 4.04Å; A147-F198 HydrophobicContact CB-CE1 4.01Å; I148-F198 HydrophobicContact CD1-CZ 4.11Å; I148-F198 HydrophobicContact CG1-CE1 3.72Å; I148-F198 HydrophobicContact CG1-CZ 3.62Å; V160-F198 HydrophobicContact CG1-CD2 4.3Å; V160-F198 HydrophobicContact CG1-CE2 4.19Å; V176-F198 WeakPolarHBondContact CA-O 3.5Å; V177-F198 HydrophobicContact CB-CB 4.25Å; V177-F198 PolarHBondContact N-O 2.79Å; V177-F198 PolarHBondContact O-N 2.94Å; A179-F198 HydrophobicContact CB-CD2 3.95Å; A179-F198 HydrophobicContact CB-CE2 3.8Å; F196-F198 HydrophobicContact CE2-CD1 4.09Å; F196-F198 AromaticContact CE2-CD2 3.97Å; F196-F198 HydrophobicContact CE2-CD2 3.97Å; F196-F198 AromaticContact CE2-CE1 3.76Å; F196-F198 HydrophobicContact CE2-CE1 3.76Å; F196-F198 AromaticContact CE2-CE2 3.63Å; F196-F198 HydrophobicContact CE2-CE2 3.63Å; F196-F198 HydrophobicContact CE2-CG 4.19Å; F196-F198 AromaticContact CE2-CZ 3.52Å; F196-F198 HydrophobicContact CE2-CZ 3.52Å; F196-F198 HydrophobicContact CZ-CD2 4.39Å; F196-F198 HydrophobicContact CZ-CE1 4.24Å; F196-F198 AromaticContact CZ-CE2 3.66Å; F196-F198 HydrophobicContact CZ-CE2 3.66Å; F196-F198 AromaticContact CZ-CZ 3.57Å; F196-F198 HydrophobicContact CZ-CZ 3.57Å; F198-W207 HydrophobicContact CB-CE3 3.86Å; F198-W207 HydrophobicContact CB-CZ3 4.21Å; F198-V208 CarbonylContact C-O 3.41Å; F198-V208 WeakPolarHBondContact CA-O 3.44Å; F198-R209 HydrophobicContact CD1-CB 4.36Å; F198-R209 HydrophobicContact CE1-CB 4.36Å; F198-R209 HydrophobicContact CE1-CG 4.39Å |
| 199 | L | 98.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.6 | -173.5 | -55.6 | 173.2 | 0 | 0 | 0 | 109.8 | L175 V176 C197 W207 V208 D252 L254 | L175-L199 CarbonylContact O-C 3.54Å; L175-L199 WeakPolarHBondContact O-CA 3.2Å; V176-L199 HydrophobicContact CB-CD2 4.24Å; V176-L199 HydrophobicContact CG1-CD2 3.89Å; V176-L199 HydrophobicContact CG2-CD2 3.75Å; C197-L199 HydrophobicContact CB-CD2 4.25Å; L199-W207 CarbonylContact O-C 3.55Å; L199-W207 WeakPolarHBondContact O-CA 3.18Å; L199-V208 PolarHBondContact N-O 2.85Å; L199-V208 PolarHBondContact O-N 3.3Å; L199-D252 WeakPolarHBondContact CD2-O 3.31Å; L199-L254 HydrophobicContact CD1-CB 3.96Å; L199-L254 HydrophobicContact CD1-CD1 4.22Å |
| 200 | S | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 121.9 | 173 | 147.3 | 0 | 0 | 0 | 0 | 109.4 | S174 L175 G204 T206 | S174-S200 CarbonylContact C-O 3.46Å; S174-S200 VanDerWaalsContact CA-O 3.29Å; S174-S200 WeakPolarHBondContact CA-O 3.49Å; L175-S200 PolarHBondContact N-O 2.8Å; L175-S200 PolarHBondContact O-N 3.27Å; S200-G204 WeakPolarHBondContact OG-CA 3.42Å; S200-G204 PolarHBondContact OG-N 2.96Å; S200-T206 VanDerWaalsContact CB-O 3.26Å; S200-T206 WeakPolarHBondContact CB-O 3.39Å |
| 201 | H | 98.6 | Very high | 98.2 | Very high | 91 Ų | 91 | 36.3 Ų | 36.3 | 42% | 0.421 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -100.6 | 9.5 | 178.6 | -53.8 | -66.5 | 0 | 0 | 0 | 113.1 | A172 S174 | A172-H201 HydrophobicContact CB-CB 4.25Å; S174-H201 PolarHBondContact OG-ND1 3.42Å |
| 202 | D | 98.4 | Very high | 98.3 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 22% | 0.219 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -137.4 | 34.4 | -172.9 | 63.9 | 8.4 | 0 | 0 | 0 | 112.9 | G204 R205 T206 | D202-G204 PolarHBondContact O-N 2.68Å; D202-R205 HydrophobicContact CB-CB 4.49Å; D202-R205 WeakPolarHBondContact O-CG 3.46Å; D202-R205 WeakPolarHBondContact OD1-CB 3.28Å; D202-R205 PolarHBondContact OD1-N 2.98Å; D202-T206 PolarHBondContact OD1-N 2.88Å; D202-T206 WeakPolarHBondContact OD2-CB 3.36Å; D202-T206 WeakPolarHBondContact OD2-CG2 3.38Å; D202-T206 PolarHBondContact OD2-N 3.36Å; D202-T206 PolarHBondContact OD2-OG1 2.85Å |
| 203 | H | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 37.3 Ų | 37.3 | 21% | 0.213 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 59.8 | 42.7 | 176.7 | -51.8 | -78.5 | 0 | 0 | 0 | 113.5 | D93 Q95 T96 F100 | D93-H203 IonicContact OD1-ND1 3.52Å; D93-H203 WeakPolarHBondContact OD2-CB 3.32Å; D93-H203 IonicContact OD2-CE1 2.79Å; D93-H203 IonicContact OD2-CG 3.39Å; D93-H203 IonicContact OD2-ND1 2.77Å; D93-H203 PolarHBondContact OD2-ND1 2.87Å; Q95-H203 PolarHBondContact OE1-CE1 3.26Å; Q95-H203 PolarHBondContact OE1-NE2 2.89Å; T96-H203 HydrophobicContact CG2-CB 3.99Å; F100-H203 WeakPolarHBondContact CZ-O 3.3Å |
| 204 | G | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 84 | 14.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | R141 S200 D202 W207 | R141-G204 PolarHBondContact NH1-O 3.29Å; R141-G204 VanDerWaalsContact NH1-O 3.12Å; S200-G204 WeakPolarHBondContact OG-CA 3.42Å; S200-G204 PolarHBondContact OG-N 2.96Å; D202-G204 PolarHBondContact O-N 2.68Å; G204-W207 PolarHBondContact O-NE1 3.45Å |
| 205 | R | 98.1 | Very high | 97.4 | Very high | 188 Ų | 188 | 44 Ų | 44 | 71% | 0.709 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -78.7 | -48.1 | 178.3 | -65.2 | 173.6 | 178.5 | 168 | 1.9 | 110.4 | R141 D202 | R141-R205 PolarHBondContact NH2-O 3.31Å; R141-R205 VanDerWaalsContact NH2-O 3.14Å; D202-R205 HydrophobicContact CB-CB 4.49Å; D202-R205 WeakPolarHBondContact O-CG 3.46Å; D202-R205 WeakPolarHBondContact OD1-CB 3.28Å; D202-R205 PolarHBondContact OD1-N 2.98Å |
| 206 | T | 98.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 52% | 0.515 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -122.8 | 154.3 | 176.8 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | S200 D202 | S200-T206 VanDerWaalsContact CB-O 3.26Å; S200-T206 WeakPolarHBondContact CB-O 3.39Å; D202-T206 PolarHBondContact OD1-N 2.88Å; D202-T206 WeakPolarHBondContact OD2-CB 3.36Å; D202-T206 WeakPolarHBondContact OD2-CG2 3.38Å; D202-T206 PolarHBondContact OD2-N 3.36Å; D202-T206 PolarHBondContact OD2-OG1 2.85Å |
| 207 | W | 98.7 | Very high | 97.1 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | trans | -132.3 | 139.4 | -175 | -69.1 | 92.7 | 0 | 0 | 0 | 110.7 | F102 A147 L175 V177 F198 L199 G204 | F102-W207 AromaticContact CE1-CH2 3.72Å; F102-W207 HydrophobicContact CE1-CH2 3.72Å; F102-W207 AromaticContact CE1-CZ2 3.4Å; F102-W207 HydrophobicContact CE1-CZ2 3.4Å; F102-W207 VanDerWaalsContact CE1-CZ2 3.4Å; F102-W207 HydrophobicContact CE2-CH2 4.22Å; F102-W207 AromaticContact CZ-CH2 3.4Å; F102-W207 HydrophobicContact CZ-CH2 3.4Å; F102-W207 AromaticContact CZ-CZ2 3.4Å; F102-W207 HydrophobicContact CZ-CZ2 3.4Å; A147-W207 HydrophobicContact CB-CB 3.63Å; A147-W207 HydrophobicContact CB-CG 4.18Å; L175-W207 HydrophobicContact CB-CH2 4.2Å; L175-W207 HydrophobicContact CD1-CH2 4.5Å; V177-W207 HydrophobicContact CB-CZ3 4.47Å; V177-W207 HydrophobicContact CG2-CH2 3.71Å; V177-W207 HydrophobicContact CG2-CZ3 3.71Å; F198-W207 HydrophobicContact CB-CE3 3.86Å; F198-W207 HydrophobicContact CB-CZ3 4.21Å; L199-W207 CarbonylContact O-C 3.55Å; L199-W207 WeakPolarHBondContact O-CA 3.18Å; G204-W207 PolarHBondContact O-NE1 3.45Å | ||
| 208 | V | 98.1 | Very high | 97.1 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 42% | 0.418 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.8 | 174.5 | -180 | 0 | 0 | 0 | 0 | 108.4 | F198 L199 L254 | F198-V208 CarbonylContact C-O 3.41Å; F198-V208 WeakPolarHBondContact CA-O 3.44Å; L199-V208 PolarHBondContact N-O 2.85Å; L199-V208 PolarHBondContact O-N 3.3Å; V208-L254 HydrophobicContact CG1-CD1 4.4Å |
| 209 | R | 98.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 48 Ų | 48 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.2 | 174.7 | -179 | 175.3 | 60.5 | 72.3 | 1.6 | 110.4 | W155 F196 F198 | W155-R209 VanDerWaalsContact CH2-CD 3.41Å; F196-R209 HydrophobicContact CD2-CG 3.72Å; F196-R209 HydrophobicContact CE2-CG 3.65Å; F198-R209 HydrophobicContact CD1-CB 4.36Å; F198-R209 HydrophobicContact CE1-CB 4.36Å; F198-R209 HydrophobicContact CE1-CG 4.39Å |
| 210 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 164.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C197 | C197-G210 WeakPolarHBondContact O-CA 3.44Å; C197-G210 PolarHBondContact O-N 3.08Å |
| 211 | H | 98.3 | Very high | 97.1 | Very high | 102 Ų | 102 | 47.9 Ų | 47.9 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -73.7 | 154.2 | 172.1 | -63.1 | 104.3 | 0 | 0 | 0 | 111.2 | L254 D255 | H211-L254 PolarHBondContact N-O 2.82Å; H211-L254 PolarHBondContact ND1-O 3.31Å; H211-D255 IonicContact CE1-OD1 3.44Å; H211-D255 PolarHBondContact CE1-OD1 2.69Å; H211-D255 IonicContact CG-OD1 3.63Å; H211-D255 IonicContact ND1-OD1 3.76Å; H211-D255 PolarHBondContact ND1-OD1 2.9Å; H211-D255 IonicContact ND1-OD2 3.21Å |
| 212 | F | 98.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -74 | 144.1 | -179.3 | -68.1 | -71.1 | 0 | 0 | 0 | 111.7 | W155 A181 R183 S194 A195 F196 | W155-F212 AromaticContact CE2-CZ 3.92Å; W155-F212 AromaticContact CZ2-CZ 3.86Å; W155-F212 HydrophobicContact CZ2-CZ 3.86Å; W155-F212 AromaticContact NE1-CZ 3.68Å; A181-F212 HydrophobicContact CB-CE1 4.09Å; A181-F212 HydrophobicContact CB-CZ 4.37Å; R183-F212 HydrophobicContact CG-CE1 4.21Å; R183-F212 HydrophobicContact CG-CE2 4.17Å; R183-F212 HydrophobicContact CG-CZ 3.92Å; R183-F212 VanDerWaalsContact NE-CD2 3.34Å; R183-F212 VanDerWaalsContact NE-CE2 3.34Å; S194-F212 WeakPolarHBondContact O-CD1 3.46Å; A195-F212 WeakPolarHBondContact O-CA 3.24Å; F196-F212 HydrophobicContact CB-CD1 3.94Å; F196-F212 HydrophobicContact CB-CE1 4.32Å; F196-F212 AromaticContact CD1-CD1 3.81Å; F196-F212 HydrophobicContact CD1-CD1 3.81Å; F196-F212 AromaticContact CD1-CE1 3.43Å; F196-F212 HydrophobicContact CD1-CE1 3.43Å; F196-F212 VanDerWaalsContact CD1-CE1 3.43Å; F196-F212 HydrophobicContact CD1-CZ 4.44Å; F196-F212 AromaticContact CE1-CE1 3.95Å; F196-F212 HydrophobicContact CE1-CE1 3.95Å; F196-F212 HydrophobicContact CG-CD1 4.14Å; F196-F212 HydrophobicContact CG-CE1 4.01Å |
| 213 | V | 94.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | trans | -74.1 | -173.6 | 163 | -49.4 | 0 | 0 | 0 | 0 | 110.6 | A195 T217 L235 A247 F256 | A195-V213 HydrophobicContact CB-CG2 3.72Å; A195-V213 WeakPolarHBondContact O-CG2 3.48Å; A195-V213 PolarHBondContact O-N 3.02Å; V213-T217 HydrophobicContact CG2-CG2 3.97Å; V213-T217 WeakPolarHBondContact CG2-OG1 3.36Å; V213-L235 HydrophobicContact CG1-CD1 3.98Å; V213-L235 HydrophobicContact CG1-CD2 4.23Å; V213-A247 HydrophobicContact CG1-CB 4.15Å; V213-F256 HydrophobicContact CG1-CB 3.77Å; V213-F256 HydrophobicContact CG1-CD1 4.35Å; V213-F256 HydrophobicContact CG1-CD2 3.72Å; V213-F256 HydrophobicContact CG1-CE2 4.44Å; V213-F256 HydrophobicContact CG1-CG 3.67Å | ||
| 214 | A | 86.9 | Confident | 97.1 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 36% | 0.355 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -51.5 | 149.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T217 S259 | A214-T217 WeakPolarHBondContact O-CG2 3.43Å; A214-T217 PolarHBondContact O-OG1 3.25Å; A214-S259 WeakPolarHBondContact CB-OG 3.3Å; A214-S259 PolarHBondContact N-OG 2.81Å |
| 215 | Q | 90.3 | Very high | 97.1 | Very high | 103 Ų | 103 | 40 Ų | 40 | 48% | 0.481 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -58.9 | 160.6 | 174.6 | -71 | -176.4 | 39 | 0 | 0 | 111.8 | L185 T217 | L185-Q215 HydrophobicContact CD1-CG 4.41Å; Q215-T217 VanDerWaalsContact C-N 3.33Å; Q215-T217 PolarHBondContact O-N 3.27Å |
| 216 | D | 93.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 35 Ų | 35 | 38% | 0.38 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 62.5 | 37.2 | 179.4 | -53.9 | -34.9 | 0 | 0 | 0 | 114 | S192 P193 | S192-D216 PolarHBondContact OG-N 2.83Å; S192-D216 PolarHBondContact OG-OD1 3.11Å; P193-D216 PolarHBondContact O-N 3.46Å |
| 217 | T | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.6 | 171.6 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | P193 S194 A195 V213 A214 Q215 A237 R238 I245 | P193-T217 CarbonylContact C-O 3.54Å; P193-T217 VanDerWaalsContact C-O 3.26Å; P193-T217 WeakPolarHBondContact CB-O 3.22Å; P193-T217 PolarHBondContact O-N 2.91Å; S194-T217 WeakPolarHBondContact CA-OG1 3.27Å; S194-T217 PolarHBondContact N-O 2.8Å; A195-T217 PolarHBondContact N-OG1 3.39Å; V213-T217 HydrophobicContact CG2-CG2 3.97Å; V213-T217 WeakPolarHBondContact CG2-OG1 3.36Å; A214-T217 WeakPolarHBondContact O-CG2 3.43Å; A214-T217 PolarHBondContact O-OG1 3.25Å; Q215-T217 VanDerWaalsContact C-N 3.33Å; Q215-T217 PolarHBondContact O-N 3.27Å; T217-A237 HydrophobicContact CG2-CB 4.09Å; T217-R238 WeakPolarHBondContact CA-O 3.22Å; T217-I245 HydrophobicContact CG2-CB 3.77Å; T217-I245 HydrophobicContact CG2-CG1 3.91Å; T217-I245 HydrophobicContact CG2-CG2 3.66Å |
| 218 | L | 98.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -135.7 | -176.1 | -55.4 | 94 | 0 | 0 | 0 | 111.2 | Y180 Y182 P193 C220 R238 H240 | Y180-L218 HydrophobicContact CD2-CB 4.43Å; Y182-L218 WeakPolarHBondContact OH-CD2 3.37Å; P193-L218 HydrophobicContact CB-CG 4.27Å; P193-L218 HydrophobicContact CG-CD1 4.45Å; P193-L218 HydrophobicContact CG-CG 4.02Å; L218-C220 PolarHBondContact O-N 2.85Å; L218-R238 HydrophobicContact CB-CB 4.22Å; L218-R238 HydrophobicContact CB-CG 4.37Å; L218-R238 HydrophobicContact CD1-CG 4.28Å; L218-R238 PolarHBondContact N-O 3.41Å; L218-H240 VanDerWaalsContact CD1-NE2 3.33Å; L218-H240 WeakPolarHBondContact CD1-NE2 3.3Å |
| 219 | E | 98.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 133.3 | -179.5 | -61.8 | 95.6 | 140.7 | 0 | 0 | 111.1 | G161 Y180 R238 Q274 Y335 | G161-E219 WeakPolarHBondContact O-CB 3.35Å; Y180-E219 HydrophobicContact CD1-CG 4.45Å; Y180-E219 HydrophobicContact CE1-CG 3.81Å; E219-R238 VanDerWaalsContact CD-NH1 3.26Å; E219-R238 WeakPolarHBondContact O-CB 3.43Å; E219-R238 PolarHBondContact O-N 3.2Å; E219-R238 IonicContact OE1-NH1 3.8Å; E219-R238 PolarHBondContact OE1-NH1 2.89Å; E219-R238 WeakPolarHBondContact OE2-CD 3.37Å; E219-R238 IonicContact OE2-CZ 2.73Å; E219-R238 IonicContact OE2-NE 3.7Å; E219-R238 IonicContact OE2-NH1 3.58Å; E219-R238 PolarHBondContact OE2-NH1 3.02Å; E219-Q274 HydrophobicContact CB-CB 4.25Å; E219-Q274 HydrophobicContact CB-CG 4.09Å; E219-Y335 PolarHBondContact OE1-OH 2.9Å |
| 220 | C | 98.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 160.5 | -178.3 | 70.2 | 0 | 0 | 0 | 0 | 111 | P178 A195 L218 L235 N236 A237 | P178-C220 WeakPolarHBondContact CB-O 3.32Å; A195-C220 HydrophobicContact CB-CB 4.16Å; L218-C220 PolarHBondContact O-N 2.85Å; C220-L235 HydrophobicContact CB-CD2 3.92Å; C220-L235 HydrophobicContact CB-CG 4.09Å; C220-N236 VanDerWaalsContact CA-O 3.3Å; C220-N236 WeakPolarHBondContact CA-O 3.27Å; C220-N236 WeakPolarHBondContact CB-O 3.38Å; C220-A237 HydrophobicContact CB-CB 3.8Å |
| 221 | Q | 98.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 161.7 | 164.3 | -77 | -170 | -7.5 | 0 | 0 | 109.4 | P162 H164 N236 S276 V277 D337 | P162-Q221 PolarHBondContact O-NE2 3.3Å; P162-Q221 VanDerWaalsContact O-NE2 3.15Å; H164-Q221 PolarHBondContact CE1-OE1 2.79Å; H164-Q221 VanDerWaalsContact CE1-OE1 3.29Å; Q221-N236 PolarHBondContact N-O 3.31Å; Q221-N236 PolarHBondContact O-N 2.86Å; Q221-S276 PolarHBondContact OE1-OG 2.94Å; Q221-V277 HydrophobicContact CB-CG1 3.92Å; Q221-V277 VanDerWaalsContact OE1-N 3.15Å; Q221-D337 PolarHBondContact NE2-OD1 2.97Å |
| 222 | V | 98.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147 | -178.9 | -70 | 0 | 0 | 0 | 0 | 111.2 | L166 V176 P178 V233 T234 L235 | L166-V222 HydrophobicContact CB-CG2 3.87Å; L166-V222 HydrophobicContact CD2-CB 4.26Å; L166-V222 HydrophobicContact CD2-CG2 3.85Å; V176-V222 HydrophobicContact CG1-CG2 3.88Å; P178-V222 HydrophobicContact CB-CG1 4.47Å; P178-V222 HydrophobicContact CB-CG2 4.36Å; P178-V222 HydrophobicContact CG-CG2 4.44Å; V222-V233 HydrophobicContact CB-CG1 3.84Å; V222-V233 HydrophobicContact CG1-CG1 4.01Å; V222-T234 CarbonylContact C-O 3.51Å; V222-T234 WeakPolarHBondContact CA-O 3.33Å; V222-L235 HydrophobicContact CG1-CB 3.89Å; V222-L235 HydrophobicContact CG1-CD1 4.13Å; V222-L235 HydrophobicContact CG1-CG 4.04Å |
| 223 | A | 98.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | V233 T234 V277 L294 | A223-V233 WeakPolarHBondContact O-CA 3.33Å; A223-T234 HydrophobicContact CB-CG2 4.09Å; A223-T234 PolarHBondContact N-O 2.95Å; A223-T234 WeakPolarHBondContact O-CG2 3.26Å; A223-T234 PolarHBondContact O-N 2.83Å; A223-V277 HydrophobicContact CB-CG2 4.42Å; A223-L294 HydrophobicContact CB-CD2 3.73Å |
| 224 | E | 98.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 132.2 | 172.7 | -174.9 | 178.6 | -129.9 | 0 | 0 | 110 | L166 L168 H169 R231 V232 S279 | L166-E224 HydrophobicContact CD1-CB 4.45Å; L166-E224 HydrophobicContact CD2-CB 4.23Å; L168-E224 HydrophobicContact CD2-CB 4.07Å; L168-E224 HydrophobicContact CD2-CG 4.29Å; H169-E224 WeakPolarHBondContact CB-OE2 3.47Å; H169-E224 IonicContact CE1-OE2 3.89Å; H169-E224 IonicContact CG-OE2 2.76Å; H169-E224 PolarHBondContact N-OE1 2.57Å; H169-E224 PolarHBondContact N-OE2 2.77Å; H169-E224 IonicContact ND1-OE2 3.9Å; H169-E224 PolarHBondContact ND1-OE2 2.95Å; E224-R231 HydrophobicContact CG-CB 4.47Å; E224-R231 WeakPolarHBondContact OE1-CD 3.44Å; E224-R231 IonicContact OE1-NE 3.48Å; E224-R231 PolarHBondContact OE1-NE 2.89Å; E224-V232 WeakPolarHBondContact CA-O 3.44Å; E224-S279 WeakPolarHBondContact O-CB 3.39Å; E224-S279 PolarHBondContact O-OG 2.83Å |
| 225 | V | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.3 | 174.9 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | V232 Q292 L294 P316 | V225-V232 HydrophobicContact CG2-CB 4.37Å; V225-V232 PolarHBondContact N-O 3.31Å; V225-V232 PolarHBondContact O-N 3.14Å; V225-Q292 HydrophobicContact CG1-CB 4.34Å; V225-L294 HydrophobicContact CG1-CD1 4.49Å; V225-L294 HydrophobicContact CG1-CD2 3.51Å; V225-L294 HydrophobicContact CG1-CG 3.95Å; V225-P316 HydrophobicContact CB-CB 4.43Å; V225-P316 HydrophobicContact CB-CG 4.25Å; V225-P316 HydrophobicContact CG1-CB 4.09Å; V225-P316 HydrophobicContact CG1-CG 4.04Å; V225-P316 HydrophobicContact CG2-CB 4.34Å |
| 226 | E | 90.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 34.1 Ų | 34.1 | 39% | 0.388 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.6 | 169.1 | -68.8 | 176.9 | -169.1 | 0 | 0 | 110.6 | R231 A291 | E226-R231 HydrophobicContact CG-CG 4.42Å; E226-A291 HydrophobicContact CB-CB 4.3Å; E226-A291 VanDerWaalsContact OE2-CB 3.3Å; E226-A291 WeakPolarHBondContact OE2-CB 3.24Å |
| 227 | A | 80.1 | Confident | 94.5 | Very high | 42 Ų | 42 | 30.7 Ų | 30.7 | 35% | 0.347 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 95.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | E229 Q230 V232 | A227-E229 PolarHBondContact O-N 2.82Å; A227-Q230 PolarHBondContact N-O 3.21Å; A227-Q230 PolarHBondContact O-N 2.97Å; A227-V232 HydrophobicContact CB-CG2 3.98Å |
| 228 | G | 78.4 | Confident | 94.5 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 73% | 0.732 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -122.8 | -171 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 229 | E | 76.4 | Confident | 94.5 | Very high | 214 Ų | 214 | 31 Ų | 31 | 100% | 1 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 4.3 | 178.6 | -62.1 | -173.6 | 166.2 | 0 | 0 | 113.4 | A227 | A227-E229 PolarHBondContact O-N 2.82Š|
| 230 | Q | 88.8 | Confident | 94.4 | Very high | 98 Ų | 98 | 33.7 Ų | 33.7 | 46% | 0.458 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.4 | -174.5 | -176.3 | 167 | 7.8 | 0 | 0 | 111.9 | A227 T250 | A227-Q230 PolarHBondContact N-O 3.21Å; A227-Q230 PolarHBondContact O-N 2.97Å; Q230-T250 VanDerWaalsContact NE2-CB 3.35Å; Q230-T250 PolarHBondContact NE2-O 2.76Å; Q230-T250 VanDerWaalsContact NE2-O 3.11Å |
| 231 | R | 94.3 | Very high | 94.2 | Very high | 88 Ų | 88 | 38 Ų | 38 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 135.5 | 167.7 | -60.6 | -170.2 | -47.7 | -104.8 | -19 | 110.2 | H169 E224 E226 | H169-R231 PolarHBondContact O-NH1 2.9Å; E224-R231 HydrophobicContact CG-CB 4.47Å; E224-R231 WeakPolarHBondContact OE1-CD 3.44Å; E224-R231 IonicContact OE1-NE 3.48Å; E224-R231 PolarHBondContact OE1-NE 2.89Å; E226-R231 HydrophobicContact CG-CG 4.42Å |
| 232 | V | 96.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.6 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | E224 V225 A227 Q248 S249 T250 P317 | E224-V232 WeakPolarHBondContact CA-O 3.44Å; V225-V232 HydrophobicContact CG2-CB 4.37Å; V225-V232 PolarHBondContact N-O 3.31Å; V225-V232 PolarHBondContact O-N 3.14Å; A227-V232 HydrophobicContact CB-CG2 3.98Å; V232-Q248 HydrophobicContact CG1-CB 3.85Å; V232-S249 WeakPolarHBondContact CA-O 3.28Å; V232-S249 WeakPolarHBondContact CG1-O 3.48Å; V232-T250 HydrophobicContact CG2-CG2 4.35Å; V232-P317 HydrophobicContact CG1-CG 4.49Å |
| 233 | V | 98.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114.1 | 168 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | L166 L168 V222 A223 Q248 S249 F256 | L166-V233 HydrophobicContact CD2-CG1 4.47Å; L168-V233 HydrophobicContact CD1-CG2 4.42Å; L168-V233 HydrophobicContact CD2-CG2 3.74Å; V222-V233 HydrophobicContact CB-CG1 3.84Å; V222-V233 HydrophobicContact CG1-CG1 4.01Å; A223-V233 WeakPolarHBondContact O-CA 3.33Å; V233-Q248 CarbonylContact O-C 3.55Å; V233-Q248 WeakPolarHBondContact O-CA 3.26Å; V233-S249 PolarHBondContact N-O 2.82Å; V233-S249 PolarHBondContact O-N 3.05Å; V233-F256 HydrophobicContact CG1-CZ 4.49Å |
| 234 | T | 98.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 136.6 | 170.4 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | V222 A223 L294 | V222-T234 CarbonylContact C-O 3.51Å; V222-T234 WeakPolarHBondContact CA-O 3.33Å; A223-T234 HydrophobicContact CB-CG2 4.09Å; A223-T234 PolarHBondContact N-O 2.95Å; A223-T234 WeakPolarHBondContact O-CG2 3.26Å; A223-T234 PolarHBondContact O-N 2.83Å; T234-L294 HydrophobicContact CG2-CD1 3.83Å; T234-L294 HydrophobicContact CG2-CD2 4.08Å |
| 235 | L | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.6 | 175.2 | -178.8 | 155.5 | 0 | 0 | 0 | 108.7 | A195 V213 C220 V222 A237 Q246 A247 F256 | A195-L235 HydrophobicContact CB-CD1 4.42Å; A195-L235 HydrophobicContact CB-CD2 4.28Å; V213-L235 HydrophobicContact CG1-CD1 3.98Å; V213-L235 HydrophobicContact CG1-CD2 4.23Å; C220-L235 HydrophobicContact CB-CD2 3.92Å; C220-L235 HydrophobicContact CB-CG 4.09Å; V222-L235 HydrophobicContact CG1-CB 3.89Å; V222-L235 HydrophobicContact CG1-CD1 4.13Å; V222-L235 HydrophobicContact CG1-CG 4.04Å; L235-A237 HydrophobicContact CD2-CB 3.7Å; L235-Q246 VanDerWaalsContact O-CA 3.28Å; L235-Q246 WeakPolarHBondContact O-CA 3.42Å; L235-A247 PolarHBondContact N-O 3.33Å; L235-A247 PolarHBondContact O-N 3.18Å; L235-F256 HydrophobicContact CB-CD1 4.03Å; L235-F256 HydrophobicContact CB-CE1 3.38Å; L235-F256 HydrophobicContact CB-CZ 3.8Å; L235-F256 HydrophobicContact CD1-CD2 4.45Å; L235-F256 HydrophobicContact CD1-CE1 3.96Å; L235-F256 HydrophobicContact CD1-CE2 3.84Å; L235-F256 HydrophobicContact CD1-CZ 3.56Å; L235-F256 HydrophobicContact CG-CE1 4.32Å; L235-F256 HydrophobicContact CG-CZ 4.34Å |
| 236 | N | 98.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 111.9 | 176.4 | -169.6 | -55.1 | 0 | 0 | 0 | 109.3 | C220 Q221 R244 V277 | C220-N236 VanDerWaalsContact CA-O 3.3Å; C220-N236 WeakPolarHBondContact CA-O 3.27Å; C220-N236 WeakPolarHBondContact CB-O 3.38Å; Q221-N236 PolarHBondContact N-O 3.31Å; Q221-N236 PolarHBondContact O-N 2.86Å; N236-R244 PolarHBondContact O-NH2 2.91Å; N236-R244 PolarHBondContact OD1-NE 2.92Å; N236-R244 PolarHBondContact OD1-NH2 3.24Å; N236-V277 HydrophobicContact CB-CB 4.47Å; N236-V277 HydrophobicContact CB-CG1 4.04Å |
| 237 | A | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A195 T217 C220 L235 R244 I245 | A195-A237 HydrophobicContact CB-CB 4.33Å; T217-A237 HydrophobicContact CG2-CB 4.09Å; C220-A237 HydrophobicContact CB-CB 3.8Å; L235-A237 HydrophobicContact CD2-CB 3.7Å; A237-R244 VanDerWaalsContact C-NH2 3.29Å; A237-R244 PolarHBondContact O-NE 2.95Å; A237-I245 HydrophobicContact CB-CB 4.5Å; A237-I245 PolarHBondContact N-O 2.69Å; A237-I245 PolarHBondContact O-N 2.97Å; A237-I245 VanDerWaalsContact O-N 3.08Å |
| 238 | R | 98.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 42 Ų | 42 | 4% | 0.038 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 143.2 | 168.7 | 178.6 | -173.3 | 172.7 | -166.6 | -8.5 | 111 | T217 L218 E219 E267 Q271 G272 C273 Y335 | T217-R238 WeakPolarHBondContact CA-O 3.22Å; L218-R238 HydrophobicContact CB-CB 4.22Å; L218-R238 HydrophobicContact CB-CG 4.37Å; L218-R238 HydrophobicContact CD1-CG 4.28Å; L218-R238 PolarHBondContact N-O 3.41Å; E219-R238 VanDerWaalsContact CD-NH1 3.26Å; E219-R238 WeakPolarHBondContact O-CB 3.43Å; E219-R238 PolarHBondContact O-N 3.2Å; E219-R238 IonicContact OE1-NH1 3.8Å; E219-R238 PolarHBondContact OE1-NH1 2.89Å; E219-R238 WeakPolarHBondContact OE2-CD 3.37Å; E219-R238 IonicContact OE2-CZ 2.73Å; E219-R238 IonicContact OE2-NE 3.7Å; E219-R238 IonicContact OE2-NH1 3.58Å; E219-R238 PolarHBondContact OE2-NH1 3.02Å; R238-E267 VanDerWaalsContact CA-OE1 3.23Å; R238-E267 WeakPolarHBondContact CA-OE1 3.19Å; R238-E267 WeakPolarHBondContact CG-OE1 3.42Å; R238-Q271 VanDerWaalsContact CZ-O 3.23Å; R238-Q271 PolarHBondContact NE-O 2.9Å; R238-Q271 PolarHBondContact NH2-O 2.89Å; R238-G272 PolarHBondContact NE-O 2.77Å; R238-C273 WeakPolarHBondContact CG-O 3.33Å; R238-Y335 PolarHBondContact NH1-OH 2.79Å |
| 239 | S | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 165.7 | 177.2 | 100.3 | 0 | 0 | 0 | 0 | 113.3 | L241 A243 E267 | S239-L241 PolarHBondContact OG-N 3.06Å; S239-A243 PolarHBondContact OG-O 3.23Å; S239-E267 PolarHBondContact N-OE1 3.08Å |
| 240 | H | 96.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 31 Ų | 31 | 32% | 0.315 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -88.2 | -0.8 | 172.4 | -61.1 | -76 | 0 | 0 | 0 | 113.6 | L218 R242 P270 Q271 | L218-H240 VanDerWaalsContact CD1-NE2 3.33Å; L218-H240 WeakPolarHBondContact CD1-NE2 3.3Å; H240-R242 PolarHBondContact O-N 2.99Å; H240-P270 PolarHBondContact ND1-O 2.93Å; H240-P270 VanDerWaalsContact ND1-O 3.08Å; H240-Q271 WeakPolarHBondContact ND1-CA 3.3Å |
| 241 | L | 96.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 29 Ų | 29 | 48% | 0.482 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -97.5 | 23.1 | -162.6 | -59.4 | 176.9 | 0 | 0 | 0 | 113.8 | S239 A243 I245 L261 | S239-L241 PolarHBondContact OG-N 3.06Å; L241-A243 PolarHBondContact O-N 2.78Å; L241-I245 HydrophobicContact CD1-CD1 4.46Å; L241-L261 HydrophobicContact CB-CD1 4.5Å; L241-L261 HydrophobicContact CB-CD2 3.73Å; L241-L261 HydrophobicContact CD1-CD1 4.23Å; L241-L261 HydrophobicContact CD1-CD2 3.99Å; L241-L261 HydrophobicContact CD1-CG 4.47Å |
| 242 | R | 98 | Very high | 97.8 | Very high | 131 Ų | 131 | 26.9 Ų | 26.9 | 49% | 0.494 | 13% | 0.132 | S | C | . | . | S | Bend | trans | 61.7 | 4.6 | -176.4 | -58.7 | -179.8 | 173.3 | -110.9 | 0.6 | 115.8 | H240 E267 | H240-R242 PolarHBondContact O-N 2.99Å; R242-E267 WeakPolarHBondContact CA-O 3.36Å; R242-E267 PolarHBondContact O-N 2.83Å |
| 243 | A | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 5% | 0.05 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 156.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | S239 L241 L261 L265 | S239-A243 PolarHBondContact OG-O 3.23Å; L241-A243 PolarHBondContact O-N 2.78Å; A243-L261 HydrophobicContact CB-CD2 4.15Å; A243-L265 CarbonylContact C-O 3.5Å; A243-L265 VanDerWaalsContact CA-O 3.25Å; A243-L265 WeakPolarHBondContact CA-O 3.24Å |
| 244 | R | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 149.5 | 174.2 | -60.7 | -62.6 | -69.3 | -167.4 | -6 | 111.4 | N236 A237 V262 L265 E267 C273 Y296 | N236-R244 PolarHBondContact O-NH2 2.91Å; N236-R244 PolarHBondContact OD1-NE 2.92Å; N236-R244 PolarHBondContact OD1-NH2 3.24Å; A237-R244 VanDerWaalsContact C-NH2 3.29Å; A237-R244 PolarHBondContact O-NE 2.95Å; R244-V262 PolarHBondContact O-N 3.19Å; R244-L265 HydrophobicContact CB-CB 3.91Å; R244-L265 HydrophobicContact CB-CD1 4.34Å; R244-L265 HydrophobicContact CG-CB 3.53Å; R244-L265 HydrophobicContact CG-CD1 4.28Å; R244-L265 PolarHBondContact N-O 2.87Å; R244-E267 WeakPolarHBondContact CD-OE1 3.26Å; R244-E267 HydrophobicContact CG-CG 4.37Å; R244-E267 IonicContact CZ-OE1 3.81Å; R244-E267 IonicContact NE-OE1 3.82Å; R244-E267 IonicContact NH1-OE1 2.83Å; R244-E267 PolarHBondContact NH1-OE1 3.22Å; R244-C273 PolarHBondContact NH1-O 2.89Å; R244-Y296 WeakPolarHBondContact CD-OH 3.35Å; R244-Y296 WeakPolarHBondContact CG-OH 3.2Å; R244-Y296 PolarHBondContact NE-OH 3.25Å; R244-Y296 VanDerWaalsContact NE-OH 3.14Å |
| 245 | I | 98.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.6 | 166.7 | -68.1 | -72.9 | 0 | 0 | 0 | 108.1 | T217 A237 L241 Q260 L261 | T217-I245 HydrophobicContact CG2-CB 3.77Å; T217-I245 HydrophobicContact CG2-CG1 3.91Å; T217-I245 HydrophobicContact CG2-CG2 3.66Å; A237-I245 HydrophobicContact CB-CB 4.5Å; A237-I245 PolarHBondContact N-O 2.69Å; A237-I245 PolarHBondContact O-N 2.97Å; A237-I245 VanDerWaalsContact O-N 3.08Å; L241-I245 HydrophobicContact CD1-CD1 4.46Å; I245-Q260 WeakPolarHBondContact CA-O 3.43Å; I245-L261 HydrophobicContact CD1-CD2 3.42Å; I245-L261 VanDerWaalsContact CD1-CD2 3.42Å; I245-L261 HydrophobicContact CD1-CG 3.65Å; I245-L261 HydrophobicContact CG1-CD2 4.17Å |
| 246 | Q | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.2 | 173.7 | -164.8 | -171.9 | -79.6 | 0 | 0 | 109.8 | L235 S259 Q260 V262 P317 | L235-Q246 VanDerWaalsContact O-CA 3.28Å; L235-Q246 WeakPolarHBondContact O-CA 3.42Å; Q246-S259 WeakPolarHBondContact O-CA 3.42Å; Q246-Q260 PolarHBondContact N-O 2.66Å; Q246-Q260 PolarHBondContact O-N 3.23Å; Q246-V262 HydrophobicContact CB-CG2 3.45Å; Q246-V262 VanDerWaalsContact CB-CG2 3.45Å; Q246-V262 HydrophobicContact CG-CG2 4.5Å; Q246-P317 PolarHBondContact NE2-O 2.9Å |
| 247 | A | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 162.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V213 L235 F256 | V213-A247 HydrophobicContact CG1-CB 4.15Å; L235-A247 PolarHBondContact N-O 3.33Å; L235-A247 PolarHBondContact O-N 3.18Å; A247-F256 HydrophobicContact CB-CB 3.99Å; A247-F256 HydrophobicContact CB-CD1 3.83Å; A247-F256 HydrophobicContact CB-CG 4.21Å |
| 248 | Q | 97.1 | Very high | 97.1 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.2 | -179.3 | 64.6 | -175.1 | 32.4 | 0 | 0 | 111 | V232 V233 F256 Q257 | V232-Q248 HydrophobicContact CG1-CB 3.85Å; V233-Q248 CarbonylContact O-C 3.55Å; V233-Q248 WeakPolarHBondContact O-CA 3.26Å; Q248-F256 WeakPolarHBondContact O-CA 3.44Å; Q248-Q257 HydrophobicContact CG-CB 4.12Å; Q248-Q257 HydrophobicContact CG-CG 4.38Å; Q248-Q257 PolarHBondContact O-N 3.14Å |
| 249 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.7 | 176.8 | 177 | 0 | 0 | 0 | 0 | 110.3 | V232 V233 N251 G253 D255 | V232-S249 WeakPolarHBondContact CA-O 3.28Å; V232-S249 WeakPolarHBondContact CG1-O 3.48Å; V233-S249 PolarHBondContact N-O 2.82Å; V233-S249 PolarHBondContact O-N 3.05Å; S249-N251 PolarHBondContact OG-N 2.92Å; S249-N251 PolarHBondContact OG-OD1 3.41Å; S249-G253 VanDerWaalsContact OG-CA 3.32Å; S249-G253 WeakPolarHBondContact OG-CA 3.26Å; S249-G253 PolarHBondContact OG-N 3.25Å; S249-D255 VanDerWaalsContact CA-O 3.29Å; S249-D255 WeakPolarHBondContact CA-O 3.37Å; S249-D255 WeakPolarHBondContact CB-O 3.3Å; S249-D255 PolarHBondContact OG-O 3.37Å |
| 250 | T | 96.6 | Very high | 96.7 | Very high | 55 Ų | 55 | 51 Ų | 51 | 34% | 0.337 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -101 | 5.6 | 177.1 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | Q230 V232 | Q230-T250 VanDerWaalsContact NE2-CB 3.35Å; Q230-T250 PolarHBondContact NE2-O 2.76Å; Q230-T250 VanDerWaalsContact NE2-O 3.11Å; V232-T250 HydrophobicContact CG2-CG2 4.35Å |
| 251 | N | 96.7 | Very high | 96.7 | Very high | 55 Ų | 55 | 51.7 Ų | 51.7 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -137.1 | 53.2 | -179.2 | 63.2 | -9.9 | 0 | 0 | 0 | 110.6 | S249 G253 L254 D255 | S249-N251 PolarHBondContact OG-N 2.92Å; S249-N251 PolarHBondContact OG-OD1 3.41Å; N251-G253 PolarHBondContact O-N 3.49Å; N251-G253 VanDerWaalsContact O-N 3.08Å; N251-L254 WeakPolarHBondContact O-CB 3.37Å; N251-L254 PolarHBondContact O-N 2.89Å; N251-L254 VanDerWaalsContact O-N 3.08Å; N251-D255 PolarHBondContact ND2-OD2 2.89Å; N251-D255 PolarHBondContact OD1-N 3.22Å; N251-D255 PolarHBondContact OD1-O 2.97Å; N251-D255 VanDerWaalsContact OD1-O 3.11Å |
| 252 | D | 96.8 | Very high | 96.8 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 19.2 | 167.2 | -54.9 | -28.2 | 0 | 0 | 0 | 115.2 | L168 L199 | L168-D252 HydrophobicContact CD1-CB 3.53Å; L199-D252 WeakPolarHBondContact CD2-O 3.31Å |
| 253 | G | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | 5.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S249 N251 F256 | S249-G253 VanDerWaalsContact OG-CA 3.32Å; S249-G253 WeakPolarHBondContact OG-CA 3.26Å; S249-G253 PolarHBondContact OG-N 3.25Å; N251-G253 PolarHBondContact O-N 3.49Å; N251-G253 VanDerWaalsContact O-N 3.08Å; G253-F256 WeakPolarHBondContact O-CE2 3.47Å |
| 254 | L | 98.2 | Very high | 96.8 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 31% | 0.314 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -71.2 | -45.4 | 176.7 | -178.4 | 66.8 | 0 | 0 | 0 | 111.6 | L199 V208 H211 N251 | L199-L254 HydrophobicContact CD1-CB 3.96Å; L199-L254 HydrophobicContact CD1-CD1 4.22Å; V208-L254 HydrophobicContact CG1-CD1 4.4Å; H211-L254 PolarHBondContact N-O 2.82Å; H211-L254 PolarHBondContact ND1-O 3.31Å; N251-L254 WeakPolarHBondContact O-CB 3.37Å; N251-L254 PolarHBondContact O-N 2.89Å; N251-L254 VanDerWaalsContact O-N 3.08Å |
| 255 | D | 98.2 | Very high | 96.8 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 34% | 0.342 | 27% | 0.268 | S | S | . | . | trans | -127.4 | 135.2 | 176.8 | -63.8 | -78.3 | 0 | 0 | 0 | 110.5 | H211 S249 N251 | H211-D255 IonicContact CE1-OD1 3.44Å; H211-D255 PolarHBondContact CE1-OD1 2.69Å; H211-D255 IonicContact CG-OD1 3.63Å; H211-D255 IonicContact ND1-OD1 3.76Å; H211-D255 PolarHBondContact ND1-OD1 2.9Å; H211-D255 IonicContact ND1-OD2 3.21Å; S249-D255 VanDerWaalsContact CA-O 3.29Å; S249-D255 WeakPolarHBondContact CA-O 3.37Å; S249-D255 WeakPolarHBondContact CB-O 3.3Å; S249-D255 PolarHBondContact OG-O 3.37Å; N251-D255 PolarHBondContact ND2-OD2 2.89Å; N251-D255 PolarHBondContact OD1-N 3.22Å; N251-D255 PolarHBondContact OD1-O 2.97Å; N251-D255 VanDerWaalsContact OD1-O 3.11Å | ||
| 256 | F | 97.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | trans | -106.5 | 134.5 | 172.2 | -73.1 | -85.6 | 0 | 0 | 0 | 110 | V213 V233 L235 A247 Q248 G253 | V213-F256 HydrophobicContact CG1-CB 3.77Å; V213-F256 HydrophobicContact CG1-CD1 4.35Å; V213-F256 HydrophobicContact CG1-CD2 3.72Å; V213-F256 HydrophobicContact CG1-CE2 4.44Å; V213-F256 HydrophobicContact CG1-CG 3.67Å; V233-F256 HydrophobicContact CG1-CZ 4.49Å; L235-F256 HydrophobicContact CB-CD1 4.03Å; L235-F256 HydrophobicContact CB-CE1 3.38Å; L235-F256 HydrophobicContact CB-CZ 3.8Å; L235-F256 HydrophobicContact CD1-CD2 4.45Å; L235-F256 HydrophobicContact CD1-CE1 3.96Å; L235-F256 HydrophobicContact CD1-CE2 3.84Å; L235-F256 HydrophobicContact CD1-CZ 3.56Å; L235-F256 HydrophobicContact CG-CE1 4.32Å; L235-F256 HydrophobicContact CG-CZ 4.34Å; A247-F256 HydrophobicContact CB-CB 3.99Å; A247-F256 HydrophobicContact CB-CD1 3.83Å; A247-F256 HydrophobicContact CB-CG 4.21Å; Q248-F256 WeakPolarHBondContact O-CA 3.44Å; G253-F256 WeakPolarHBondContact O-CE2 3.47Å | ||
| 257 | Q | 93.7 | Very high | 96.9 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 42% | 0.416 | 27% | 0.273 | S | S | . | . | trans | -69.1 | -178.1 | 174 | -60.9 | 179.6 | 4.6 | 0 | 0 | 111.1 | Q248 S259 | Q248-Q257 HydrophobicContact CG-CB 4.12Å; Q248-Q257 HydrophobicContact CG-CG 4.38Å; Q248-Q257 PolarHBondContact O-N 3.14Å; Q257-S259 PolarHBondContact O-N 3.02Å; Q257-S259 VanDerWaalsContact O-N 3.17Å | ||
| 258 | E | 88.9 | Confident | 96.9 | Very high | 170 Ų | 170 | 55.6 Ų | 55.6 | 79% | 0.794 | 27% | 0.273 | S | S | * | . | trans | -50.4 | 123.8 | -179 | -172.1 | 174.3 | -172.6 | 0 | 0 | 111.7 | ||||
| 259 | S | 93.1 | Very high | 96.9 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | trans | -76.2 | 140.6 | -178.7 | -51 | 0 | 0 | 0 | 0 | 110.6 | A214 Q246 Q257 | A214-S259 WeakPolarHBondContact CB-OG 3.3Å; A214-S259 PolarHBondContact N-OG 2.81Å; Q246-S259 WeakPolarHBondContact O-CA 3.42Å; Q257-S259 PolarHBondContact O-N 3.02Å; Q257-S259 VanDerWaalsContact O-N 3.17Å | ||
| 260 | Q | 95.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 59.3 Ų | 59.3 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.4 | -175.4 | -61.6 | -174 | -9.4 | 0 | 0 | 111.5 | I245 Q246 V262 | I245-Q260 WeakPolarHBondContact CA-O 3.43Å; Q246-Q260 PolarHBondContact N-O 2.66Å; Q246-Q260 PolarHBondContact O-N 3.23Å; Q260-V262 PolarHBondContact O-N 3.2Å |
| 261 | L | 97.5 | Very high | 96.7 | Very high | 83 Ų | 83 | 62 Ų | 62 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 117.9 | 169.9 | -82.9 | 167.6 | 0 | 0 | 0 | 110.2 | L241 A243 I245 K263 | L241-L261 HydrophobicContact CB-CD1 4.5Å; L241-L261 HydrophobicContact CB-CD2 3.73Å; L241-L261 HydrophobicContact CD1-CD1 4.23Å; L241-L261 HydrophobicContact CD1-CD2 3.99Å; L241-L261 HydrophobicContact CD1-CG 4.47Å; A243-L261 HydrophobicContact CB-CD2 4.15Å; I245-L261 HydrophobicContact CD1-CD2 3.42Å; I245-L261 VanDerWaalsContact CD1-CD2 3.42Å; I245-L261 HydrophobicContact CD1-CG 3.65Å; I245-L261 HydrophobicContact CG1-CD2 4.17Å; L261-K263 PolarHBondContact O-N 2.9Å |
| 262 | V | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 83.8 | -179.2 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | R244 Q246 Q260 K264 L265 P319 W322 | R244-V262 PolarHBondContact O-N 3.19Å; Q246-V262 HydrophobicContact CB-CG2 3.45Å; Q246-V262 VanDerWaalsContact CB-CG2 3.45Å; Q246-V262 HydrophobicContact CG-CG2 4.5Å; Q260-V262 PolarHBondContact O-N 3.2Å; V262-K264 PolarHBondContact O-N 2.87Å; V262-L265 HydrophobicContact CB-CB 4.45Å; V262-L265 HydrophobicContact CB-CD1 4.36Å; V262-L265 HydrophobicContact CB-CG 4.36Å; V262-L265 HydrophobicContact CG1-CB 4.3Å; V262-L265 HydrophobicContact CG1-CD1 3.96Å; V262-L265 HydrophobicContact CG1-CG 3.77Å; V262-L265 PolarHBondContact O-N 3.17Å; V262-P319 HydrophobicContact CG1-CB 4.17Å; V262-P319 HydrophobicContact CG2-CB 4.11Å; V262-W322 HydrophobicContact CG1-CG 4.4Å |
| 263 | K | 98.1 | Very high | 96.9 | Very high | 186 Ų | 186 | 57.4 Ų | 57.4 | 81% | 0.809 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.7 | -22.2 | -175 | -65.5 | -179.4 | -178.7 | 174.9 | 0 | 115 | L261 L265 | L261-K263 PolarHBondContact O-N 2.9Å; K263-L265 VanDerWaalsContact C-N 3.28Å |
| 264 | K | 98.5 | Very high | 96.9 | Very high | 106 Ų | 106 | 57.5 Ų | 57.5 | 46% | 0.461 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -22.1 | 174.6 | -79.6 | 164.4 | 160.2 | -81.8 | 0 | 113.2 | V262 E320 W322 | V262-K264 PolarHBondContact O-N 2.87Å; K264-E320 WeakPolarHBondContact CE-O 3.5Å; K264-W322 HydrophobicContact CB-CB 4.2Å; K264-W322 HydrophobicContact CD-CB 4.33Å; K264-W322 WeakPolarHBondContact CD-O 3.28Å; K264-W322 PolarHBondContact NZ-O 3.06Å |
| 265 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 98 | 178.1 | -54.3 | -176.7 | 0 | 0 | 0 | 108.7 | A243 R244 V262 K263 Y296 Y311 W322 | A243-L265 CarbonylContact C-O 3.5Å; A243-L265 VanDerWaalsContact CA-O 3.25Å; A243-L265 WeakPolarHBondContact CA-O 3.24Å; R244-L265 HydrophobicContact CB-CB 3.91Å; R244-L265 HydrophobicContact CB-CD1 4.34Å; R244-L265 HydrophobicContact CG-CB 3.53Å; R244-L265 HydrophobicContact CG-CD1 4.28Å; R244-L265 PolarHBondContact N-O 2.87Å; V262-L265 HydrophobicContact CB-CB 4.45Å; V262-L265 HydrophobicContact CB-CD1 4.36Å; V262-L265 HydrophobicContact CB-CG 4.36Å; V262-L265 HydrophobicContact CG1-CB 4.3Å; V262-L265 HydrophobicContact CG1-CD1 3.96Å; V262-L265 HydrophobicContact CG1-CG 3.77Å; V262-L265 PolarHBondContact O-N 3.17Å; K263-L265 VanDerWaalsContact C-N 3.28Å; L265-Y296 HydrophobicContact CB-CE1 4.41Å; L265-Y296 HydrophobicContact CD1-CD1 4.15Å; L265-Y296 HydrophobicContact CD1-CE1 4.12Å; L265-Y296 HydrophobicContact CD2-CD1 3.96Å; L265-Y296 HydrophobicContact CD2-CE1 4.08Å; L265-Y296 HydrophobicContact CG-CE1 4.44Å; L265-Y311 HydrophobicContact CD2-CD1 3.4Å; L265-Y311 VanDerWaalsContact CD2-CD1 3.4Å; L265-Y311 HydrophobicContact CD2-CD2 4.22Å; L265-Y311 HydrophobicContact CD2-CE1 3.7Å; L265-Y311 HydrophobicContact CD2-CE2 4.48Å; L265-Y311 HydrophobicContact CD2-CG 3.67Å; L265-W322 HydrophobicContact CD1-CD2 3.97Å; L265-W322 HydrophobicContact CD1-CG 4.15Å; L265-W322 HydrophobicContact CD1-CZ2 4.29Å; L265-W322 HydrophobicContact CD2-CB 4.18Å; L265-W322 HydrophobicContact CD2-CD2 4.06Å; L265-W322 HydrophobicContact CD2-CE3 4.25Å; L265-W322 HydrophobicContact CD2-CG 4.05Å; L265-W322 HydrophobicContact CG-CD2 4.35Å; L265-W322 HydrophobicContact CG-CG 4.15Å |
| 266 | V | 98.6 | Very high | 97 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 19% | 0.194 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 149 | -174 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | H298 T300 | V266-H298 PolarHBondContact O-CE1 3.09Å; V266-H298 PolarHBondContact O-ND1 3.19Å; V266-T300 WeakPolarHBondContact CG1-O 2.77Å |
| 267 | E | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -120 | 126.6 | 168.6 | -82.7 | -77.9 | -159.9 | 0 | 0 | 111.1 | R238 S239 R242 R244 G272 C273 H298 | R238-E267 VanDerWaalsContact CA-OE1 3.23Å; R238-E267 WeakPolarHBondContact CA-OE1 3.19Å; R238-E267 WeakPolarHBondContact CG-OE1 3.42Å; S239-E267 PolarHBondContact N-OE1 3.08Å; R242-E267 WeakPolarHBondContact CA-O 3.36Å; R242-E267 PolarHBondContact O-N 2.83Å; R244-E267 WeakPolarHBondContact CD-OE1 3.26Å; R244-E267 HydrophobicContact CG-CG 4.37Å; R244-E267 IonicContact CZ-OE1 3.81Å; R244-E267 IonicContact NE-OE1 3.82Å; R244-E267 IonicContact NH1-OE1 2.83Å; R244-E267 PolarHBondContact NH1-OE1 3.22Å; E267-G272 VanDerWaalsContact OE2-C 3.29Å; E267-G272 WeakPolarHBondContact OE2-CA 3.41Å; E267-C273 PolarHBondContact OE2-N 2.9Å; E267-H298 IonicContact OE1-NE2 3.11Å; E267-H298 IonicContact OE2-CE1 3.61Å; E267-H298 IonicContact OE2-NE2 3.4Å; E267-H298 PolarHBondContact OE2-NE2 3.29Å | ||
| 268 | P | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.032 | 24% | 0.235 | C | C | . | . | trans | -72.6 | 127.8 | 176.3 | 28.1 | -34.4 | 0 | 0 | 0 | 111.4 | G272 C273 R305 | P268-G272 WeakPolarHBondContact O-CA 3.29Å; P268-G272 PolarHBondContact O-N 3.27Å; P268-C273 HydrophobicContact CG-CB 4.4Å; P268-R305 HydrophobicContact CG-CG 4.25Å | ||
| 269 | P | 96.9 | Very high | 97.8 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 25% | 0.247 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 162.6 | 174.4 | 29.5 | -36.3 | 0 | 0 | 0 | 112.5 | S302 W303 | P269-S302 WeakPolarHBondContact CD-O 3.13Å; P269-W303 HydrophobicContact CG-CE3 3.62Å; P269-W303 HydrophobicContact CG-CZ3 3.97Å |
| 270 | P | 96.2 | Very high | 98 | Very high | 106 Ų | 106 | 39.1 Ų | 39.1 | 69% | 0.688 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -86.2 | -12.8 | -3.1 | 30.3 | -28.6 | 0 | 0 | 0 | 113.6 | H240 | H240-P270 PolarHBondContact ND1-O 2.93Å; H240-P270 VanDerWaalsContact ND1-O 3.08Å |
| 271 | Q | 94.7 | Very high | 98 | Very high | 111 Ų | 111 | 38.7 Ų | 38.7 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -4.4 | -170.3 | -56.7 | -175.8 | 15.8 | 0 | 0 | 115.8 | R238 H240 | R238-Q271 VanDerWaalsContact CZ-O 3.23Å; R238-Q271 PolarHBondContact NE-O 2.9Å; R238-Q271 PolarHBondContact NH2-O 2.89Å; H240-Q271 WeakPolarHBondContact ND1-CA 3.3Å |
| 272 | G | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | 72.8 | -170.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | R238 E267 P268 R305 | R238-G272 PolarHBondContact NE-O 2.77Å; E267-G272 VanDerWaalsContact OE2-C 3.29Å; E267-G272 WeakPolarHBondContact OE2-CA 3.41Å; P268-G272 WeakPolarHBondContact O-CA 3.29Å; P268-G272 PolarHBondContact O-N 3.27Å; G272-R305 PolarHBondContact O-NE 3.08Å; G272-R305 PolarHBondContact O-NH2 3.4Å | ||
| 273 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -137.9 | 156.1 | 177.7 | -166.5 | 0 | 0 | 0 | 0 | 111 | R238 R244 E267 P268 H298 P299 R305 | R238-C273 WeakPolarHBondContact CG-O 3.33Å; R244-C273 PolarHBondContact NH1-O 2.89Å; E267-C273 PolarHBondContact OE2-N 2.9Å; P268-C273 HydrophobicContact CG-CB 4.4Å; C273-H298 PolarHBondContact O-NE2 2.84Å; C273-P299 HydrophobicContact CB-CG 4.35Å; C273-R305 HydrophobicContact CB-CG 4.05Å | ||
| 274 | Q | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | trans | -66.2 | 150.7 | 165.8 | -178.8 | -83.1 | -3 | 0 | 0 | 109.3 | P162 E219 H298 Y335 S336 | P162-Q274 HydrophobicContact CG-CG 4.21Å; E219-Q274 HydrophobicContact CB-CB 4.25Å; E219-Q274 HydrophobicContact CB-CG 4.09Å; Q274-H298 PolarHBondContact O-CD2 3.12Å; Q274-Y335 HydrophobicContact CB-CD1 3.84Å; Q274-Y335 HydrophobicContact CB-CD2 3.5Å; Q274-Y335 VanDerWaalsContact CB-CD2 3.5Å; Q274-Y335 HydrophobicContact CB-CE1 3.85Å; Q274-Y335 HydrophobicContact CB-CE2 3.49Å; Q274-Y335 VanDerWaalsContact CB-CE2 3.49Å; Q274-Y335 HydrophobicContact CB-CG 3.67Å; Q274-Y335 HydrophobicContact CG-CD2 3.88Å; Q274-Y335 HydrophobicContact CG-CE2 4.1Å; Q274-Y335 HydrophobicContact CG-CG 4.3Å; Q274-Y335 VanDerWaalsContact OE1-CA 3.29Å; Q274-S336 PolarHBondContact NE2-O 3.28Å; Q274-S336 PolarHBondContact OE1-O 3.5Å; Q274-S336 VanDerWaalsContact OE1-O 3.14Å | ||
| 275 | G | 98.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -146.9 | 160.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T297 | G275-T297 VanDerWaalsContact CA-O 3.29Å; G275-T297 WeakPolarHBondContact CA-O 3.05Å | ||
| 276 | S | 98.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.8 | -174.5 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | Q221 Y296 T297 S336 D337 L338 | Q221-S276 PolarHBondContact OE1-OG 2.94Å; S276-Y296 CarbonylContact O-C 3.58Å; S276-Y296 VanDerWaalsContact O-CA 3.22Å; S276-Y296 WeakPolarHBondContact O-CA 3.43Å; S276-Y296 WeakPolarHBondContact O-CD2 3.48Å; S276-T297 PolarHBondContact N-O 2.82Å; S276-T297 PolarHBondContact O-N 3.47Å; S276-S336 VanDerWaalsContact CB-O 3.3Å; S276-S336 WeakPolarHBondContact CB-O 3.45Å; S276-D337 PolarHBondContact OG-OD1 2.87Å; S276-L338 PolarHBondContact OG-N 2.91Å |
| 277 | V | 98.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.7 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | Q221 A223 N236 L294 L295 Y296 W322 | Q221-V277 HydrophobicContact CB-CG1 3.92Å; Q221-V277 VanDerWaalsContact OE1-N 3.15Å; A223-V277 HydrophobicContact CB-CG2 4.42Å; N236-V277 HydrophobicContact CB-CB 4.47Å; N236-V277 HydrophobicContact CB-CG1 4.04Å; V277-L294 HydrophobicContact CG2-CB 4.39Å; V277-L294 HydrophobicContact CG2-CD2 4.1Å; V277-L295 WeakPolarHBondContact CA-O 3.16Å; V277-Y296 HydrophobicContact CB-CD2 4.27Å; V277-W322 HydrophobicContact CG2-CH2 4.47Å |
| 278 | I | 98.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 154.2 | 170.8 | 56.2 | 166.9 | 0 | 0 | 0 | 110 | H164 L294 L295 L338 F351 | H164-I278 WeakPolarHBondContact CE1-CG2 3.4Å; H164-I278 WeakPolarHBondContact NE2-CG2 3.4Å; I278-L294 WeakPolarHBondContact O-CA 3.46Å; I278-L295 HydrophobicContact CD1-CB 4.49Å; I278-L295 HydrophobicContact CD1-CD2 4.46Å; I278-L295 HydrophobicContact CG1-CB 4Å; I278-L295 PolarHBondContact N-O 3.38Å; I278-L295 PolarHBondContact O-N 3.15Å; I278-L338 HydrophobicContact CB-CB 4.47Å; I278-L338 HydrophobicContact CD1-CB 3.95Å; I278-L338 HydrophobicContact CG1-CB 3.95Å; I278-L338 HydrophobicContact CG1-CD1 4.09Å; I278-L338 HydrophobicContact CG2-CB 3.75Å; I278-F351 HydrophobicContact CD1-CD1 3.86Å; I278-F351 HydrophobicContact CD1-CE1 4.17Å |
| 279 | S | 98.6 | Very high | 90.1 | Very high | 34 Ų | 34 | 47 Ų | 47 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 152.3 | 160.6 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | E224 W293 | E224-S279 WeakPolarHBondContact O-CB 3.39Å; E224-S279 PolarHBondContact O-OG 2.83Å; S279-W293 VanDerWaalsContact CA-O 3.31Å; S279-W293 WeakPolarHBondContact CA-O 3.14Å |
| 280 | F | 98.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 155.8 | 174.6 | 66.9 | -85.5 | 0 | 0 | 0 | 110.2 | S282 Q292 W293 L295 L312 P349 F351 L370 | F280-S282 PolarHBondContact O-N 3.13Å; F280-Q292 CarbonylContact O-C 3.52Å; F280-Q292 WeakPolarHBondContact O-CA 3.49Å; F280-Q292 WeakPolarHBondContact O-CB 3.48Å; F280-W293 HydrophobicContact CE1-CB 3.83Å; F280-W293 HydrophobicContact CE2-CB 4.06Å; F280-W293 HydrophobicContact CE2-CE3 4.49Å; F280-W293 HydrophobicContact CZ-CB 3.59Å; F280-W293 HydrophobicContact CZ-CE3 4.2Å; F280-W293 PolarHBondContact N-O 3.3Å; F280-W293 PolarHBondContact O-N 3.23Å; F280-L295 HydrophobicContact CD1-CB 4.05Å; F280-L295 HydrophobicContact CE1-CB 3.78Å; F280-L312 HydrophobicContact CE1-CD1 3.95Å; F280-L312 HydrophobicContact CZ-CD1 3.64Å; F280-P349 HydrophobicContact CD2-CB 3.9Å; F280-P349 HydrophobicContact CD2-CG 3.81Å; F280-P349 HydrophobicContact CE2-CB 4.32Å; F280-P349 HydrophobicContact CE2-CG 4.03Å; F280-F351 HydrophobicContact CB-CE1 4Å; F280-F351 AromaticContact CD1-CE1 3.83Å; F280-F351 HydrophobicContact CD1-CE1 3.83Å; F280-F351 AromaticContact CD1-CZ 3.95Å; F280-F351 HydrophobicContact CD1-CZ 3.95Å; F280-F351 HydrophobicContact CD2-CE1 4.14Å; F280-F351 AromaticContact CD2-CZ 3.86Å; F280-F351 HydrophobicContact CD2-CZ 3.86Å; F280-F351 HydrophobicContact CE1-CE1 4.34Å; F280-F351 HydrophobicContact CE1-CZ 4.04Å; F280-F351 AromaticContact CE2-CZ 3.96Å; F280-F351 HydrophobicContact CE2-CZ 3.96Å; F280-F351 AromaticContact CG-CE1 3.71Å; F280-F351 HydrophobicContact CG-CE1 3.71Å; F280-F351 AromaticContact CG-CZ 3.85Å; F280-F351 HydrophobicContact CG-CZ 3.85Å; F280-F351 HydrophobicContact CZ-CZ 4.02Å; F280-L370 HydrophobicContact CE2-CD1 4.11Å; F280-L370 HydrophobicContact CE2-CD2 3.81Å; F280-L370 HydrophobicContact CZ-CD1 3.75Å; F280-L370 HydrophobicContact CZ-CD2 4.17Å |
| 281 | P | 95.8 | Very high | 89.3 | Confident | 88 Ų | 88 | 43.8 Ų | 43.8 | 57% | 0.571 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 130.8 | -179.9 | -25.5 | 34.9 | 0 | 0 | 0 | 112.1 | ||
| 282 | S | 93.5 | Very high | 89.3 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | trans | -57.5 | 136.2 | 175.2 | 168 | 0 | 0 | 0 | 0 | 110.4 | F280 H284 P290 A291 W293 | F280-S282 PolarHBondContact O-N 3.13Å; S282-H284 PolarHBondContact O-N 2.86Å; S282-H284 PolarHBondContact OG-N 3.39Å; S282-H284 VanDerWaalsContact OG-N 3.08Å; S282-H284 PolarHBondContact OG-O 2.79Å; S282-P290 WeakPolarHBondContact CB-O 3.25Å; S282-A291 PolarHBondContact N-O 3.38Å; S282-W293 PolarHBondContact OG-NE1 2.66Å | ||
| 283 | P | 90.6 | Very high | 89.3 | Confident | 45 Ų | 45 | 41 Ų | 41 | 29% | 0.292 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -70.3 | -14.2 | 173.4 | 31.7 | -36.1 | 0 | 0 | 0 | 112.3 | W293 L370 | P283-W293 HydrophobicContact CG-CE3 3.99Å; P283-W293 HydrophobicContact CG-CH2 3.95Å; P283-W293 HydrophobicContact CG-CZ2 4.43Å; P283-W293 HydrophobicContact CG-CZ3 3.67Å; P283-L370 HydrophobicContact CB-CD2 4.24Å; P283-L370 HydrophobicContact CG-CD2 3.75Å |
| 284 | H | 84.3 | Confident | 89.3 | Confident | 75 Ų | 75 | 41 Ų | 41 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | trans | -104 | 124.9 | 179.4 | -59.1 | 104.6 | 0 | 0 | 0 | 110.4 | S282 W293 E377 | S282-H284 PolarHBondContact O-N 2.86Å; S282-H284 PolarHBondContact OG-N 3.39Å; S282-H284 VanDerWaalsContact OG-N 3.08Å; S282-H284 PolarHBondContact OG-O 2.79Å; H284-W293 AromaticContact CE1-CH2 3.55Å; H284-W293 AromaticContact CE1-CZ2 3.96Å; H284-W293 AromaticContact ND1-CH2 3.33Å; H284-W293 VanDerWaalsContact ND1-CH2 3.33Å; H284-W293 WeakPolarHBondContact ND1-CH2 3.43Å; H284-W293 AromaticContact ND1-CZ2 3.3Å; H284-W293 VanDerWaalsContact ND1-CZ2 3.3Å; H284-W293 WeakPolarHBondContact ND1-CZ2 3.29Å; H284-E377 IonicContact CE1-OE2 3.18Å | ||
| 285 | S | 69.5 | Low | 89.3 | Confident | 125 Ų | 125 | 40.8 Ų | 40.8 | 87% | 0.874 | 29% | 0.285 | S | S | * | . | trans | -109.5 | 119.8 | 171.9 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 286 | G | 66.6 | Low | 89.3 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 179.5 | 163.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G288 S289 | G286-G288 PolarHBondContact O-N 3.23Å; G286-S289 WeakPolarHBondContact O-CB 3.23Å; G286-S289 PolarHBondContact O-N 3.24Å; G286-S289 VanDerWaalsContact O-N 3.08Å |
| 287 | P | 66.7 | Low | 89.3 | Confident | 144 Ų | 144 | 40.8 Ų | 40.8 | 94% | 0.935 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 123.7 | 177.7 | -22.4 | 32.7 | 0 | 0 | 0 | 111.3 | S289 | P287-S289 VanDerWaalsContact C-N 3.34Å; P287-S289 PolarHBondContact O-N 3.2Å |
| 288 | G | 71.2 | Confident | 89.3 | Confident | 88 Ų | 88 | 40.7 Ų | 40.7 | 91% | 0.907 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 1.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G286 | G286-G288 PolarHBondContact O-N 3.23Š|
| 289 | S | 77.8 | Confident | 89.3 | Confident | 55 Ų | 55 | 40.3 Ų | 40.3 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | trans | -80.6 | 137.7 | 169.2 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | G286 P287 | G286-S289 WeakPolarHBondContact O-CB 3.23Å; G286-S289 PolarHBondContact O-N 3.24Å; G286-S289 VanDerWaalsContact O-N 3.08Å; P287-S289 VanDerWaalsContact C-N 3.34Å; P287-S289 PolarHBondContact O-N 3.2Å | ||
| 290 | P | 85.1 | Confident | 89.3 | Confident | 33 Ų | 33 | 40.5 Ų | 40.5 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | trans | -65.8 | 142.5 | 175.9 | 28 | -33.1 | 0 | 0 | 0 | 110.2 | S282 Q292 P314 | S282-P290 WeakPolarHBondContact CB-O 3.25Å; P290-Q292 VanDerWaalsContact C-N 3.29Å; P290-Q292 PolarHBondContact O-N 2.82Å; P290-P314 VanDerWaalsContact CG-O 3.23Å; P290-P314 WeakPolarHBondContact CG-O 3.2Å | ||
| 291 | A | 90.8 | Very high | 89.3 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -66.9 | -32.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E226 S282 | E226-A291 HydrophobicContact CB-CB 4.3Å; E226-A291 VanDerWaalsContact OE2-CB 3.3Å; E226-A291 WeakPolarHBondContact OE2-CB 3.24Å; S282-A291 PolarHBondContact N-O 3.38Å |
| 292 | Q | 95.5 | Very high | 89.4 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 20% | 0.201 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.8 | 177.1 | -53.9 | 81.5 | 11.1 | 0 | 0 | 111.4 | V225 F280 P290 P316 | V225-Q292 HydrophobicContact CG1-CB 4.34Å; F280-Q292 CarbonylContact O-C 3.52Å; F280-Q292 WeakPolarHBondContact O-CA 3.49Å; F280-Q292 WeakPolarHBondContact O-CB 3.48Å; P290-Q292 VanDerWaalsContact C-N 3.29Å; P290-Q292 PolarHBondContact O-N 2.82Å; Q292-P316 WeakPolarHBondContact O-CG 3.06Å |
| 293 | W | 97.5 | Very high | 89.6 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 163.7 | 164.2 | -73.1 | 3.7 | 0 | 0 | 0 | 109.4 | S279 F280 S282 P283 H284 L312 P314 L370 E377 | S279-W293 VanDerWaalsContact CA-O 3.31Å; S279-W293 WeakPolarHBondContact CA-O 3.14Å; F280-W293 HydrophobicContact CE1-CB 3.83Å; F280-W293 HydrophobicContact CE2-CB 4.06Å; F280-W293 HydrophobicContact CE2-CE3 4.49Å; F280-W293 HydrophobicContact CZ-CB 3.59Å; F280-W293 HydrophobicContact CZ-CE3 4.2Å; F280-W293 PolarHBondContact N-O 3.3Å; F280-W293 PolarHBondContact O-N 3.23Å; S282-W293 PolarHBondContact OG-NE1 2.66Å; P283-W293 HydrophobicContact CG-CE3 3.99Å; P283-W293 HydrophobicContact CG-CH2 3.95Å; P283-W293 HydrophobicContact CG-CZ2 4.43Å; P283-W293 HydrophobicContact CG-CZ3 3.67Å; H284-W293 AromaticContact CE1-CH2 3.55Å; H284-W293 AromaticContact CE1-CZ2 3.96Å; H284-W293 AromaticContact ND1-CH2 3.33Å; H284-W293 VanDerWaalsContact ND1-CH2 3.33Å; H284-W293 WeakPolarHBondContact ND1-CH2 3.43Å; H284-W293 AromaticContact ND1-CZ2 3.3Å; H284-W293 VanDerWaalsContact ND1-CZ2 3.3Å; H284-W293 WeakPolarHBondContact ND1-CZ2 3.29Å; W293-L312 HydrophobicContact CB-CD1 4.42Å; W293-L312 HydrophobicContact CE3-CD1 3.86Å; W293-L312 HydrophobicContact CE3-CD2 3.86Å; W293-L312 HydrophobicContact CE3-CG 4.17Å; W293-L312 HydrophobicContact CZ3-CD2 3.71Å; W293-L312 HydrophobicContact CZ3-CG 4.48Å; W293-P314 HydrophobicContact CD2-CB 3.86Å; W293-P314 VanDerWaalsContact CE2-CB 3.46Å; W293-P314 HydrophobicContact CE3-CB 4.24Å; W293-P314 HydrophobicContact CG-CB 4.44Å; W293-P314 HydrophobicContact CH2-CB 3.81Å; W293-P314 HydrophobicContact CZ2-CB 3.44Å; W293-P314 VanDerWaalsContact CZ2-CB 3.44Å; W293-P314 HydrophobicContact CZ3-CB 4.22Å; W293-P314 PolarHBondContact NE1-O 3.15Å; W293-P314 VanDerWaalsContact NE1-O 3.09Å; W293-L370 HydrophobicContact CE3-CD2 4.37Å; W293-L370 HydrophobicContact CZ3-CD2 4.38Å; W293-E377 HydrophobicContact CH2-CG 4.42Å; W293-E377 WeakPolarHBondContact CH2-OE2 3.49Å; W293-E377 HydrophobicContact CZ3-CG 4.13Å |
| 294 | L | 98.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.6 | 171.7 | -62.3 | 167.9 | 0 | 0 | 0 | 111 | A223 V225 T234 V277 I278 N313 P316 W322 | A223-L294 HydrophobicContact CB-CD2 3.73Å; V225-L294 HydrophobicContact CG1-CD1 4.49Å; V225-L294 HydrophobicContact CG1-CD2 3.51Å; V225-L294 HydrophobicContact CG1-CG 3.95Å; T234-L294 HydrophobicContact CG2-CD1 3.83Å; T234-L294 HydrophobicContact CG2-CD2 4.08Å; V277-L294 HydrophobicContact CG2-CB 4.39Å; V277-L294 HydrophobicContact CG2-CD2 4.1Å; I278-L294 WeakPolarHBondContact O-CA 3.46Å; L294-N313 HydrophobicContact CB-CB 4.06Å; L294-N313 PolarHBondContact N-O 2.76Å; L294-N313 VanDerWaalsContact N-O 3.1Å; L294-N313 PolarHBondContact O-N 2.97Å; L294-P316 HydrophobicContact CD1-CB 3.5Å; L294-P316 VanDerWaalsContact CD1-CB 3.5Å; L294-P316 HydrophobicContact CG-CB 3.64Å; L294-P316 HydrophobicContact CG-CG 4.35Å; L294-W322 HydrophobicContact CB-CH2 3.77Å; L294-W322 HydrophobicContact CB-CZ2 4.41Å; L294-W322 HydrophobicContact CB-CZ3 4.4Å; L294-W322 HydrophobicContact CD1-CH2 4.29Å; L294-W322 HydrophobicContact CD1-CZ2 4.12Å |
| 295 | L | 98.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.6 | 166.3 | -171.9 | 67.8 | 0 | 0 | 0 | 108.5 | V277 I278 F280 A310 L338 F351 F368 F374 | V277-L295 WeakPolarHBondContact CA-O 3.16Å; I278-L295 HydrophobicContact CD1-CB 4.49Å; I278-L295 HydrophobicContact CD1-CD2 4.46Å; I278-L295 HydrophobicContact CG1-CB 4Å; I278-L295 PolarHBondContact N-O 3.38Å; I278-L295 PolarHBondContact O-N 3.15Å; F280-L295 HydrophobicContact CD1-CB 4.05Å; F280-L295 HydrophobicContact CE1-CB 3.78Å; L295-A310 HydrophobicContact CD1-CB 4.23Å; L295-L338 HydrophobicContact CB-CD1 4.41Å; L295-L338 HydrophobicContact CD2-CD1 4.22Å; L295-L338 HydrophobicContact CD2-CD2 4.14Å; L295-L338 HydrophobicContact CG-CD1 4.06Å; L295-F351 HydrophobicContact CD2-CB 4.32Å; L295-F351 HydrophobicContact CD2-CD1 3.72Å; L295-F351 HydrophobicContact CD2-CD2 3.84Å; L295-F351 HydrophobicContact CD2-CE1 3.88Å; L295-F351 HydrophobicContact CD2-CE2 3.99Å; L295-F351 HydrophobicContact CD2-CG 3.68Å; L295-F351 HydrophobicContact CD2-CZ 4Å; L295-F368 HydrophobicContact CD2-CE2 4.37Å; L295-F368 HydrophobicContact CD2-CZ 4.05Å; L295-F374 HydrophobicContact CD1-CE2 3.92Å |
| 296 | Y | 98.9 | Very high | 92 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.5 | 179 | 168.2 | -104.6 | 0 | 0 | 0 | 111.1 | R244 L265 S276 V277 H298 A310 Y311 W322 | R244-Y296 WeakPolarHBondContact CD-OH 3.35Å; R244-Y296 WeakPolarHBondContact CG-OH 3.2Å; R244-Y296 PolarHBondContact NE-OH 3.25Å; R244-Y296 VanDerWaalsContact NE-OH 3.14Å; L265-Y296 HydrophobicContact CB-CE1 4.41Å; L265-Y296 HydrophobicContact CD1-CD1 4.15Å; L265-Y296 HydrophobicContact CD1-CE1 4.12Å; L265-Y296 HydrophobicContact CD2-CD1 3.96Å; L265-Y296 HydrophobicContact CD2-CE1 4.08Å; L265-Y296 HydrophobicContact CG-CE1 4.44Å; S276-Y296 CarbonylContact O-C 3.58Å; S276-Y296 VanDerWaalsContact O-CA 3.22Å; S276-Y296 WeakPolarHBondContact O-CA 3.43Å; S276-Y296 WeakPolarHBondContact O-CD2 3.48Å; V277-Y296 HydrophobicContact CB-CD2 4.27Å; Y296-H298 HydrophobicContact CD1-CB 4.32Å; Y296-H298 HydrophobicContact CE1-CB 3.36Å; Y296-H298 HydrophobicContact CE2-CB 4.15Å; Y296-H298 AromaticContact CZ-CG 3.78Å; Y296-H298 WeakPolarHBondContact OH-CB 3.44Å; Y296-H298 PolarHBondContact OH-CD2 2.92Å; Y296-A310 CarbonylContact O-C 3.55Å; Y296-A310 WeakPolarHBondContact O-CA 3.38Å; Y296-Y311 AromaticContact CD1-CD2 3.56Å; Y296-Y311 HydrophobicContact CD1-CD2 3.56Å; Y296-Y311 HydrophobicContact CD1-CE2 4.21Å; Y296-Y311 HydrophobicContact CD1-CG 4.03Å; Y296-Y311 HydrophobicContact CE1-CD2 4.01Å; Y296-Y311 HydrophobicContact CE1-CE2 4.19Å; Y296-Y311 PolarHBondContact N-O 2.64Å; Y296-Y311 PolarHBondContact O-N 3.35Å; Y296-W322 HydrophobicContact CG-CH2 4.44Å |
| 297 | T | 98.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.2 | 173.5 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | G275 S276 G309 A310 L328 S336 L338 | G275-T297 VanDerWaalsContact CA-O 3.29Å; G275-T297 WeakPolarHBondContact CA-O 3.05Å; S276-T297 PolarHBondContact N-O 2.82Å; S276-T297 PolarHBondContact O-N 3.47Å; T297-G309 VanDerWaalsContact CA-O 3.27Å; T297-G309 WeakPolarHBondContact CA-O 3.42Å; T297-A310 HydrophobicContact CG2-CB 4.39Å; T297-L328 HydrophobicContact CG2-CD1 3.66Å; T297-S336 PolarHBondContact O-OG 3.3Å; T297-S336 PolarHBondContact OG1-OG 3.08Å; T297-L338 HydrophobicContact CG2-CD1 3.91Å; T297-L338 HydrophobicContact CG2-CD2 3.9Å; T297-L338 HydrophobicContact CG2-CG 4.1Å; T297-L338 WeakPolarHBondContact OG1-CG 3.43Å |
| 298 | H | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 156.6 | -179.5 | -178.1 | -91.9 | 0 | 0 | 0 | 111.4 | V266 E267 C273 Q274 Y296 T300 G309 | V266-H298 PolarHBondContact O-CE1 3.09Å; V266-H298 PolarHBondContact O-ND1 3.19Å; E267-H298 IonicContact OE1-NE2 3.11Å; E267-H298 IonicContact OE2-CE1 3.61Å; E267-H298 IonicContact OE2-NE2 3.4Å; E267-H298 PolarHBondContact OE2-NE2 3.29Å; C273-H298 PolarHBondContact O-NE2 2.84Å; Q274-H298 PolarHBondContact O-CD2 3.12Å; Y296-H298 HydrophobicContact CD1-CB 4.32Å; Y296-H298 HydrophobicContact CE1-CB 3.36Å; Y296-H298 HydrophobicContact CE2-CB 4.15Å; Y296-H298 AromaticContact CZ-CG 3.78Å; Y296-H298 WeakPolarHBondContact OH-CB 3.44Å; Y296-H298 PolarHBondContact OH-CD2 2.92Å; H298-T300 PolarHBondContact O-N 3.18Å; H298-G309 PolarHBondContact N-O 3.05Å; H298-G309 PolarHBondContact O-N 3.41Å |
| 299 | P | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 135 | 168.2 | -30.8 | 39 | 0 | 0 | 0 | 113.5 | C273 A306 C333 | C273-P299 HydrophobicContact CB-CG 4.35Å; P299-A306 WeakPolarHBondContact CA-O 3.28Å; P299-A306 WeakPolarHBondContact CB-O 3.28Å; P299-C333 VanDerWaalsContact CG-O 3.3Å; P299-C333 WeakPolarHBondContact CG-O 3.47Å |
| 300 | T | 98.7 | Very high | 97.3 | Very high | 37 Ų | 37 | 32.1 Ų | 32.1 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | trans | -99.6 | -9.8 | -176.5 | 61.1 | 0 | 0 | 0 | 0 | 113 | V266 H298 A306 D307 Y311 P325 | V266-T300 WeakPolarHBondContact CG1-O 2.77Å; H298-T300 PolarHBondContact O-N 3.18Å; T300-A306 PolarHBondContact N-O 3.13Å; T300-A306 VanDerWaalsContact N-O 3.16Å; T300-D307 WeakPolarHBondContact CB-O 3.29Å; T300-D307 WeakPolarHBondContact CG2-O 3.32Å; T300-D307 PolarHBondContact N-O 3.45Å; T300-D307 WeakPolarHBondContact OG1-CB 3.34Å; T300-D307 PolarHBondContact OG1-O 3.49Å; T300-Y311 HydrophobicContact CG2-CE2 4.03Å; T300-P325 HydrophobicContact CG2-CB 3.58Å; T300-P325 HydrophobicContact CG2-CG 3.7Å | ||
| 301 | H | 98.4 | Very high | 98 | Very high | 62 Ų | 62 | 30.8 Ų | 30.8 | 29% | 0.287 | 15% | 0.154 | S | C | . | . | trans | -75.8 | 135.6 | -177.8 | -167.2 | -85.2 | 0 | 0 | 0 | 112.1 | W303 Q304 A306 | H301-W303 VanDerWaalsContact C-N 3.27Å; H301-W303 PolarHBondContact ND1-N 3.33Å; H301-W303 VanDerWaalsContact ND1-N 3.19Å; H301-W303 PolarHBondContact O-N 2.8Å; H301-Q304 PolarHBondContact ND1-N 3.12Å; H301-A306 HydrophobicContact CB-CB 4.07Å; H301-A306 PolarHBondContact N-O 3.19Å | ||
| 302 | S | 97 | Very high | 98.4 | Very high | 55 Ų | 55 | 28.9 Ų | 28.9 | 39% | 0.385 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -74.1 | -11.1 | -172.6 | 52.9 | 0 | 0 | 0 | 0 | 115.6 | P269 | P269-S302 WeakPolarHBondContact CD-O 3.13Š|
| 303 | W | 97.8 | Very high | 98.5 | Very high | 147 Ų | 147 | 26.8 Ų | 26.8 | 56% | 0.557 | 13% | 0.128 | S | C | * | . | S | Bend | trans | -131.2 | -10.9 | -175.2 | -59.7 | 98.8 | 0 | 0 | 0 | 115.1 | P269 H301 | P269-W303 HydrophobicContact CG-CE3 3.62Å; P269-W303 HydrophobicContact CG-CZ3 3.97Å; H301-W303 VanDerWaalsContact C-N 3.27Å; H301-W303 PolarHBondContact ND1-N 3.33Å; H301-W303 VanDerWaalsContact ND1-N 3.19Å; H301-W303 PolarHBondContact O-N 2.8Å |
| 304 | Q | 97.9 | Very high | 98.4 | Very high | 126 Ų | 126 | 27.4 Ų | 27.4 | 59% | 0.589 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -146.3 | 158.2 | -169.4 | -61.3 | -176.2 | 28.6 | 0 | 0 | 109.9 | H301 A306 | H301-Q304 PolarHBondContact ND1-N 3.12Å; Q304-A306 VanDerWaalsContact C-N 3.27Å; Q304-A306 PolarHBondContact O-N 2.96Å |
| 305 | R | 98.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -79.2 | 81.8 | 169.8 | -66.7 | -177.4 | -179.1 | 176.7 | -4 | 109 | P268 G272 C273 C333 A334 Y360 | P268-R305 HydrophobicContact CG-CG 4.25Å; G272-R305 PolarHBondContact O-NE 3.08Å; G272-R305 PolarHBondContact O-NH2 3.4Å; C273-R305 HydrophobicContact CB-CG 4.05Å; R305-C333 CarbonylContact C-O 3.59Å; R305-C333 WeakPolarHBondContact CB-O 3.38Å; R305-C333 PolarHBondContact O-N 3.36Å; R305-A334 HydrophobicContact CB-CB 4.41Å; R305-Y360 PolarHBondContact NH1-OH 3.35Å |
| 306 | A | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 35 Ų | 35 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P299 T300 H301 Q304 G331 | P299-A306 WeakPolarHBondContact CA-O 3.28Å; P299-A306 WeakPolarHBondContact CB-O 3.28Å; T300-A306 PolarHBondContact N-O 3.13Å; T300-A306 VanDerWaalsContact N-O 3.16Å; H301-A306 HydrophobicContact CB-CB 4.07Å; H301-A306 PolarHBondContact N-O 3.19Å; Q304-A306 VanDerWaalsContact C-N 3.27Å; Q304-A306 PolarHBondContact O-N 2.96Å; A306-G331 CarbonylContact C-O 3.39Å; A306-G331 WeakPolarHBondContact CA-O 3.31Å; A306-G331 WeakPolarHBondContact CB-O 3.04Å |
| 307 | D | 98.4 | Very high | 97.7 | Very high | 45 Ų | 45 | 35.5 Ų | 35.5 | 24% | 0.241 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.6 | 78.3 | 173.7 | -63.3 | -34.2 | 0 | 0 | 0 | 112 | T300 G309 L327 A329 K330 G331 | T300-D307 WeakPolarHBondContact CB-O 3.29Å; T300-D307 WeakPolarHBondContact CG2-O 3.32Å; T300-D307 PolarHBondContact N-O 3.45Å; T300-D307 WeakPolarHBondContact OG1-CB 3.34Å; T300-D307 PolarHBondContact OG1-O 3.49Å; D307-G309 PolarHBondContact O-N 2.98Å; D307-L327 HydrophobicContact CB-CD1 3.64Å; D307-A329 CarbonylContact C-O 3.6Å; D307-A329 VanDerWaalsContact CA-O 3.3Å; D307-A329 WeakPolarHBondContact CA-O 3.34Å; D307-K330 WeakPolarHBondContact OD1-CA 3.44Å; D307-G331 PolarHBondContact N-O 3.16Å; D307-G331 PolarHBondContact OD1-N 3.35Å |
| 308 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 121.4 | 178.4 | -172 | 71.6 | 0 | 0 | 0 | 110.1 | L328 A329 C333 Y355 | L308-L328 HydrophobicContact CD2-CB 4.35Å; L308-L328 HydrophobicContact CD2-CD1 4.27Å; L308-L328 HydrophobicContact CG-CB 4.49Å; L308-L328 PolarHBondContact O-N 3.37Å; L308-A329 HydrophobicContact CB-CB 4.13Å; L308-A329 PolarHBondContact N-O 2.79Å; L308-A329 PolarHBondContact O-N 3.09Å; L308-C333 HydrophobicContact CB-CB 3.79Å; L308-Y355 HydrophobicContact CD2-CD1 3.81Å; L308-Y355 HydrophobicContact CD2-CD2 3.84Å; L308-Y355 HydrophobicContact CD2-CE1 4.34Å; L308-Y355 HydrophobicContact CD2-CE2 4.38Å; L308-Y355 HydrophobicContact CD2-CG 3.55Å |
| 309 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 149.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T297 H298 D307 V326 | T297-G309 VanDerWaalsContact CA-O 3.27Å; T297-G309 WeakPolarHBondContact CA-O 3.42Å; H298-G309 PolarHBondContact N-O 3.05Å; H298-G309 PolarHBondContact O-N 3.41Å; D307-G309 PolarHBondContact O-N 2.98Å; G309-V326 CarbonylContact C-O 3.56Å; G309-V326 VanDerWaalsContact CA-O 3.24Å; G309-V326 WeakPolarHBondContact CA-O 3.3Å |
| 310 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L295 Y296 T297 P325 V326 L328 F374 | L295-A310 HydrophobicContact CD1-CB 4.23Å; Y296-A310 CarbonylContact O-C 3.55Å; Y296-A310 WeakPolarHBondContact O-CA 3.38Å; T297-A310 HydrophobicContact CG2-CB 4.39Å; A310-P325 CarbonylContact O-C 3.56Å; A310-P325 WeakPolarHBondContact O-CA 3.32Å; A310-V326 PolarHBondContact N-O 2.92Å; A310-V326 PolarHBondContact O-N 3.42Å; A310-L328 HydrophobicContact CB-CD1 3.96Å; A310-L328 HydrophobicContact CB-CD2 4.07Å; A310-L328 HydrophobicContact CB-CG 3.93Å; A310-F374 HydrophobicContact CB-CE2 4.35Å; A310-F374 HydrophobicContact CB-CZ 4.2Å; A310-F374 WeakPolarHBondContact O-CZ 3.41Å |
| 311 | Y | 98.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.7 | 173.6 | -61.9 | -104.8 | 0 | 0 | 0 | 109.3 | L265 Y296 T300 S323 P325 | L265-Y311 HydrophobicContact CD2-CD1 3.4Å; L265-Y311 VanDerWaalsContact CD2-CD1 3.4Å; L265-Y311 HydrophobicContact CD2-CD2 4.22Å; L265-Y311 HydrophobicContact CD2-CE1 3.7Å; L265-Y311 HydrophobicContact CD2-CE2 4.48Å; L265-Y311 HydrophobicContact CD2-CG 3.67Å; Y296-Y311 AromaticContact CD1-CD2 3.56Å; Y296-Y311 HydrophobicContact CD1-CD2 3.56Å; Y296-Y311 HydrophobicContact CD1-CE2 4.21Å; Y296-Y311 HydrophobicContact CD1-CG 4.03Å; Y296-Y311 HydrophobicContact CE1-CD2 4.01Å; Y296-Y311 HydrophobicContact CE1-CE2 4.19Å; Y296-Y311 PolarHBondContact N-O 2.64Å; Y296-Y311 PolarHBondContact O-N 3.35Å; T300-Y311 HydrophobicContact CG2-CE2 4.03Å; Y311-S323 WeakPolarHBondContact CD1-O 3.37Å; Y311-P325 HydrophobicContact CD1-CB 3.97Å; Y311-P325 HydrophobicContact CD1-CG 4.47Å; Y311-P325 HydrophobicContact CD2-CB 4.1Å; Y311-P325 HydrophobicContact CE1-CB 3.61Å; Y311-P325 HydrophobicContact CE1-CG 3.73Å; Y311-P325 HydrophobicContact CE2-CB 3.73Å; Y311-P325 HydrophobicContact CE2-CG 4.44Å; Y311-P325 HydrophobicContact CG-CB 4.23Å; Y311-P325 VanDerWaalsContact CZ-CB 3.48Å |
| 312 | L | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138 | 178.4 | -174.3 | 65.7 | 0 | 0 | 0 | 110.2 | F280 W293 S323 L370 F374 E377 | F280-L312 HydrophobicContact CE1-CD1 3.95Å; F280-L312 HydrophobicContact CZ-CD1 3.64Å; W293-L312 HydrophobicContact CB-CD1 4.42Å; W293-L312 HydrophobicContact CE3-CD1 3.86Å; W293-L312 HydrophobicContact CE3-CD2 3.86Å; W293-L312 HydrophobicContact CE3-CG 4.17Å; W293-L312 HydrophobicContact CZ3-CD2 3.71Å; W293-L312 HydrophobicContact CZ3-CG 4.48Å; L312-S323 PolarHBondContact N-OG 2.76Å; L312-S323 WeakPolarHBondContact O-CB 3.25Å; L312-S323 PolarHBondContact O-N 3.49Å; L312-S323 PolarHBondContact O-OG 3.44Å; L312-L370 HydrophobicContact CD1-CD1 4.08Å; L312-L370 HydrophobicContact CD2-CD1 4.5Å; L312-F374 HydrophobicContact CB-CD1 4.2Å; L312-F374 HydrophobicContact CB-CD2 4.35Å; L312-F374 HydrophobicContact CB-CE1 3.77Å; L312-F374 HydrophobicContact CB-CE2 3.94Å; L312-F374 HydrophobicContact CB-CG 4.48Å; L312-F374 HydrophobicContact CB-CZ 3.64Å; L312-F374 HydrophobicContact CD2-CB 4.37Å; L312-F374 HydrophobicContact CD2-CD1 4.24Å; L312-F374 HydrophobicContact CD2-CD2 4.18Å; L312-F374 HydrophobicContact CD2-CG 4Å; L312-E377 HydrophobicContact CD2-CG 4.19Å |
| 313 | N | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 103.4 | 165.7 | -164.4 | -34.6 | 0 | 0 | 0 | 109.9 | L294 R315 A318 A321 W322 | L294-N313 HydrophobicContact CB-CB 4.06Å; L294-N313 PolarHBondContact N-O 2.76Å; L294-N313 VanDerWaalsContact N-O 3.1Å; L294-N313 PolarHBondContact O-N 2.97Å; N313-R315 VanDerWaalsContact C-N 3.3Å; N313-R315 PolarHBondContact OD1-N 3.24Å; N313-R315 PolarHBondContact OD1-O 2.84Å; N313-A318 PolarHBondContact ND2-O 3.25Å; N313-A321 VanDerWaalsContact OD1-CB 3.27Å; N313-A321 WeakPolarHBondContact OD1-CB 3.43Å; N313-W322 HydrophobicContact CB-CD2 3.83Å; N313-W322 HydrophobicContact CB-CE3 3.7Å; N313-W322 HydrophobicContact CB-CH2 3.99Å; N313-W322 HydrophobicContact CB-CZ2 4.11Å; N313-W322 HydrophobicContact CB-CZ3 3.77Å |
| 314 | P | 95.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 40 Ų | 40 | 16% | 0.156 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -83.6 | -1.4 | 179.6 | 34.4 | -35.6 | 0 | 0 | 0 | 113.8 | P290 W293 A321 | P290-P314 VanDerWaalsContact CG-O 3.23Å; P290-P314 WeakPolarHBondContact CG-O 3.2Å; W293-P314 HydrophobicContact CD2-CB 3.86Å; W293-P314 VanDerWaalsContact CE2-CB 3.46Å; W293-P314 HydrophobicContact CE3-CB 4.24Å; W293-P314 HydrophobicContact CG-CB 4.44Å; W293-P314 HydrophobicContact CH2-CB 3.81Å; W293-P314 HydrophobicContact CZ2-CB 3.44Å; W293-P314 VanDerWaalsContact CZ2-CB 3.44Å; W293-P314 HydrophobicContact CZ3-CB 4.22Å; W293-P314 PolarHBondContact NE1-O 3.15Å; W293-P314 VanDerWaalsContact NE1-O 3.09Å; P314-A321 WeakPolarHBondContact CD-O 3.35Å |
| 315 | R | 94.8 | Very high | 97.4 | Very high | 149 Ų | 149 | 36.6 Ų | 36.6 | 56% | 0.562 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -136.8 | 61.1 | 176.9 | -62.9 | -176.7 | -60.8 | -76.2 | -2.1 | 110.4 | N313 A318 A321 | N313-R315 VanDerWaalsContact C-N 3.3Å; N313-R315 PolarHBondContact OD1-N 3.24Å; N313-R315 PolarHBondContact OD1-O 2.84Å; R315-A318 VanDerWaalsContact O-CB 3.24Å; R315-A318 WeakPolarHBondContact O-CB 3.5Å; R315-A318 PolarHBondContact O-N 3.03Å; R315-A321 HydrophobicContact CB-CB 3.91Å |
| 316 | P | 95 | Very high | 97.4 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 151.9 | -171.9 | 31.1 | -36.1 | 0 | 0 | 0 | 112.6 | V225 Q292 L294 | V225-P316 HydrophobicContact CB-CB 4.43Å; V225-P316 HydrophobicContact CB-CG 4.25Å; V225-P316 HydrophobicContact CG1-CB 4.09Å; V225-P316 HydrophobicContact CG1-CG 4.04Å; V225-P316 HydrophobicContact CG2-CB 4.34Å; Q292-P316 WeakPolarHBondContact O-CG 3.06Å; L294-P316 HydrophobicContact CD1-CB 3.5Å; L294-P316 VanDerWaalsContact CD1-CB 3.5Å; L294-P316 HydrophobicContact CG-CB 3.64Å; L294-P316 HydrophobicContact CG-CG 4.35Å |
| 317 | P | 92.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.071 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.9 | 26 | -4.4 | 37.6 | -35.8 | 0 | 0 | 0 | 113.5 | V232 Q246 P319 | V232-P317 HydrophobicContact CG1-CG 4.49Å; Q246-P317 PolarHBondContact NE2-O 2.9Å; P317-P319 WeakPolarHBondContact O-CD 3.32Å; P317-P319 VanDerWaalsContact O-N 3.15Å |
| 318 | A | 95 | Very high | 97.4 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 22% | 0.223 | 18% | 0.182 | C | C | . | . | trans | -56.9 | 119.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N313 R315 E320 A321 | N313-A318 PolarHBondContact ND2-O 3.25Å; R315-A318 VanDerWaalsContact O-CB 3.24Å; R315-A318 WeakPolarHBondContact O-CB 3.5Å; R315-A318 PolarHBondContact O-N 3.03Å; A318-E320 VanDerWaalsContact C-N 3.31Å; A318-E320 PolarHBondContact O-N 2.93Å; A318-A321 HydrophobicContact CB-CB 3.97Å; A318-A321 WeakPolarHBondContact O-CB 3.44Å; A318-A321 PolarHBondContact O-N 3.42Å; A318-A321 VanDerWaalsContact O-N 3.08Å | ||
| 319 | P | 96.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -63 | -31.7 | -174.4 | -15.4 | 20.5 | 0 | 0 | 0 | 114.6 | V262 P317 A321 W322 | V262-P319 HydrophobicContact CG1-CB 4.17Å; V262-P319 HydrophobicContact CG2-CB 4.11Å; P317-P319 WeakPolarHBondContact O-CD 3.32Å; P317-P319 VanDerWaalsContact O-N 3.15Å; P319-A321 PolarHBondContact O-N 2.94Å; P319-W322 VanDerWaalsContact O-CD1 3.29Å |
| 320 | E | 97.1 | Very high | 97.3 | Very high | 130 Ų | 130 | 40.5 Ų | 40.5 | 61% | 0.607 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -74.8 | -16.6 | 177.9 | 69.7 | -77.7 | -178.9 | 0 | 0 | 112.9 | K264 A318 W322 | K264-E320 WeakPolarHBondContact CE-O 3.5Å; A318-E320 VanDerWaalsContact C-N 3.31Å; A318-E320 PolarHBondContact O-N 2.93Å; E320-W322 VanDerWaalsContact C-N 3.32Å |
| 321 | A | 97.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -82 | -7.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N313 P314 R315 A318 P319 S323 | N313-A321 VanDerWaalsContact OD1-CB 3.27Å; N313-A321 WeakPolarHBondContact OD1-CB 3.43Å; P314-A321 WeakPolarHBondContact CD-O 3.35Å; R315-A321 HydrophobicContact CB-CB 3.91Å; A318-A321 HydrophobicContact CB-CB 3.97Å; A318-A321 WeakPolarHBondContact O-CB 3.44Å; A318-A321 PolarHBondContact O-N 3.42Å; A318-A321 VanDerWaalsContact O-N 3.08Å; P319-A321 PolarHBondContact O-N 2.94Å; A321-S323 PolarHBondContact O-N 2.69Å |
| 322 | W | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 129.9 | 171.5 | -73.2 | 107.4 | 0 | 0 | 0 | 111.4 | V262 K264 L265 V277 L294 Y296 N313 P319 E320 | V262-W322 HydrophobicContact CG1-CG 4.4Å; K264-W322 HydrophobicContact CB-CB 4.2Å; K264-W322 HydrophobicContact CD-CB 4.33Å; K264-W322 WeakPolarHBondContact CD-O 3.28Å; K264-W322 PolarHBondContact NZ-O 3.06Å; L265-W322 HydrophobicContact CD1-CD2 3.97Å; L265-W322 HydrophobicContact CD1-CG 4.15Å; L265-W322 HydrophobicContact CD1-CZ2 4.29Å; L265-W322 HydrophobicContact CD2-CB 4.18Å; L265-W322 HydrophobicContact CD2-CD2 4.06Å; L265-W322 HydrophobicContact CD2-CE3 4.25Å; L265-W322 HydrophobicContact CD2-CG 4.05Å; L265-W322 HydrophobicContact CG-CD2 4.35Å; L265-W322 HydrophobicContact CG-CG 4.15Å; V277-W322 HydrophobicContact CG2-CH2 4.47Å; L294-W322 HydrophobicContact CB-CH2 3.77Å; L294-W322 HydrophobicContact CB-CZ2 4.41Å; L294-W322 HydrophobicContact CB-CZ3 4.4Å; L294-W322 HydrophobicContact CD1-CH2 4.29Å; L294-W322 HydrophobicContact CD1-CZ2 4.12Å; Y296-W322 HydrophobicContact CG-CH2 4.44Å; N313-W322 HydrophobicContact CB-CD2 3.83Å; N313-W322 HydrophobicContact CB-CE3 3.7Å; N313-W322 HydrophobicContact CB-CH2 3.99Å; N313-W322 HydrophobicContact CB-CZ2 4.11Å; N313-W322 HydrophobicContact CB-CZ3 3.77Å; P319-W322 VanDerWaalsContact O-CD1 3.29Å; E320-W322 VanDerWaalsContact C-N 3.32Å |
| 323 | S | 98.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 44 Ų | 44 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 173.1 | 176.2 | 74.6 | 0 | 0 | 0 | 0 | 112.1 | Y311 L312 A321 | Y311-S323 WeakPolarHBondContact CD1-O 3.37Å; L312-S323 PolarHBondContact N-OG 2.76Å; L312-S323 WeakPolarHBondContact O-CB 3.25Å; L312-S323 PolarHBondContact O-N 3.49Å; L312-S323 PolarHBondContact O-OG 3.44Å; A321-S323 PolarHBondContact O-N 2.69Å |
| 324 | E | 98.4 | Very high | 97.3 | Very high | 170 Ų | 170 | 44 Ų | 44 | 79% | 0.794 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -69 | 153.8 | 155.8 | -66 | -172.8 | 168.9 | 0 | 0 | 109.9 | ||
| 325 | P | 98.3 | Very high | 97.4 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -75.7 | 146 | -179 | 27.2 | -30.2 | 0 | 0 | 0 | 112.7 | T300 A310 Y311 | T300-P325 HydrophobicContact CG2-CB 3.58Å; T300-P325 HydrophobicContact CG2-CG 3.7Å; A310-P325 CarbonylContact O-C 3.56Å; A310-P325 WeakPolarHBondContact O-CA 3.32Å; Y311-P325 HydrophobicContact CD1-CB 3.97Å; Y311-P325 HydrophobicContact CD1-CG 4.47Å; Y311-P325 HydrophobicContact CD2-CB 4.1Å; Y311-P325 HydrophobicContact CE1-CB 3.61Å; Y311-P325 HydrophobicContact CE1-CG 3.73Å; Y311-P325 HydrophobicContact CE2-CB 3.73Å; Y311-P325 HydrophobicContact CE2-CG 4.44Å; Y311-P325 HydrophobicContact CG-CB 4.23Å; Y311-P325 VanDerWaalsContact CZ-CB 3.48Å |
| 326 | V | 98.3 | Very high | 97.6 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.3 | 163.7 | 174.6 | 0 | 0 | 0 | 0 | 108.8 | L4 G309 A310 L328 A373 F374 | L4-V326 HydrophobicContact CD1-CG1 4.15Å; G309-V326 CarbonylContact C-O 3.56Å; G309-V326 VanDerWaalsContact CA-O 3.24Å; G309-V326 WeakPolarHBondContact CA-O 3.3Å; A310-V326 PolarHBondContact N-O 2.92Å; A310-V326 PolarHBondContact O-N 3.42Å; V326-L328 PolarHBondContact O-N 3.12Å; V326-A373 WeakPolarHBondContact CG1-O 3.39Å; V326-A373 VanDerWaalsContact CG2-O 3.29Å; V326-A373 WeakPolarHBondContact CG2-O 3.37Å; V326-F374 HydrophobicContact CB-CE1 4.31Å; V326-F374 HydrophobicContact CB-CZ 4.41Å; V326-F374 HydrophobicContact CG2-CD1 3.8Å; V326-F374 HydrophobicContact CG2-CE1 3.49Å; V326-F374 VanDerWaalsContact CG2-CE1 3.49Å; V326-F374 HydrophobicContact CG2-CZ 4.06Å |
| 327 | L | 98.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 109.6 | -174.9 | -169.8 | 66.4 | 0 | 0 | 0 | 112 | L4 D307 A329 K330 | L4-L327 PolarHBondContact N-O 2.81Å; L4-L327 VanDerWaalsContact N-O 3.11Å; D307-L327 HydrophobicContact CB-CD1 3.64Å; L327-A329 WeakPolarHBondContact CD1-O 3.36Å; L327-K330 HydrophobicContact CD2-CG 3.75Å; L327-K330 HydrophobicContact CG-CG 4.49Å |
| 328 | L | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -44.7 | 176.2 | -64.8 | -175 | 0 | 0 | 0 | 112.1 | S3 L4 T297 L308 A310 V326 L366 F368 | S3-L328 WeakPolarHBondContact CB-O 3.1Å; L4-L328 HydrophobicContact CD2-CD2 3.85Å; T297-L328 HydrophobicContact CG2-CD1 3.66Å; L308-L328 HydrophobicContact CD2-CB 4.35Å; L308-L328 HydrophobicContact CD2-CD1 4.27Å; L308-L328 HydrophobicContact CG-CB 4.49Å; L308-L328 PolarHBondContact O-N 3.37Å; A310-L328 HydrophobicContact CB-CD1 3.96Å; A310-L328 HydrophobicContact CB-CD2 4.07Å; A310-L328 HydrophobicContact CB-CG 3.93Å; V326-L328 PolarHBondContact O-N 3.12Å; L328-L366 HydrophobicContact CB-CD1 4.21Å; L328-F368 HydrophobicContact CD1-CE1 4.23Å; L328-F368 HydrophobicContact CD1-CZ 4.13Å; L328-F368 HydrophobicContact CD2-CD2 4.5Å; L328-F368 HydrophobicContact CD2-CE1 4.43Å; L328-F368 HydrophobicContact CD2-CE2 4.24Å; L328-F368 HydrophobicContact CD2-CZ 4.17Å |
| 329 | A | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 143.8 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | D307 L308 L327 Y355 | D307-A329 CarbonylContact C-O 3.6Å; D307-A329 VanDerWaalsContact CA-O 3.3Å; D307-A329 WeakPolarHBondContact CA-O 3.34Å; L308-A329 HydrophobicContact CB-CB 4.13Å; L308-A329 PolarHBondContact N-O 2.79Å; L308-A329 PolarHBondContact O-N 3.09Å; L327-A329 WeakPolarHBondContact CD1-O 3.36Å; A329-Y355 HydrophobicContact CB-CE1 4.49Å; A329-Y355 HydrophobicContact CB-CE2 3.84Å; A329-Y355 WeakPolarHBondContact CB-OH 3.47Å |
| 330 | K | 97.9 | Very high | 98.4 | Very high | 110 Ų | 110 | 35.7 Ų | 35.7 | 48% | 0.478 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 157.3 | 178.2 | -73.2 | 178.4 | 178.5 | -175.6 | 0 | 111.8 | M1 D307 L327 | M1-K330 WeakPolarHBondContact O-CE 3.34Å; M1-K330 PolarHBondContact O-NZ 2.86Å; D307-K330 WeakPolarHBondContact OD1-CA 3.44Å; L327-K330 HydrophobicContact CD2-CG 3.75Å; L327-K330 HydrophobicContact CG-CG 4.49Å |
| 331 | G | 97.6 | Very high | 98.4 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 36% | 0.361 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.9 | -153.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A306 D307 C333 | A306-G331 CarbonylContact C-O 3.39Å; A306-G331 WeakPolarHBondContact CA-O 3.31Å; A306-G331 WeakPolarHBondContact CB-O 3.04Å; D307-G331 PolarHBondContact N-O 3.16Å; D307-G331 PolarHBondContact OD1-N 3.35Å; G331-C333 PolarHBondContact O-N 3.02Å; G331-C333 VanDerWaalsContact O-N 3.15Å |
| 332 | S | 98.5 | Very high | 98.4 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 30% | 0.301 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 118.1 | -175 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | A357 N358 D359 | S332-A357 WeakPolarHBondContact O-CA 3.16Å; S332-N358 PolarHBondContact O-N 2.93Å; S332-N358 VanDerWaalsContact O-N 3.13Å; S332-D359 PolarHBondContact OG-N 3.22Å |
| 333 | C | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 134.5 | 178.2 | -68 | 0 | 0 | 0 | 0 | 108.2 | P299 R305 L308 G331 E356 | P299-C333 VanDerWaalsContact CG-O 3.3Å; P299-C333 WeakPolarHBondContact CG-O 3.47Å; R305-C333 CarbonylContact C-O 3.59Å; R305-C333 WeakPolarHBondContact CB-O 3.38Å; R305-C333 PolarHBondContact O-N 3.36Å; L308-C333 HydrophobicContact CB-CB 3.79Å; G331-C333 PolarHBondContact O-N 3.02Å; G331-C333 VanDerWaalsContact O-N 3.15Å; C333-E356 VanDerWaalsContact CA-O 3.3Å; C333-E356 WeakPolarHBondContact CA-O 3.31Å |
| 334 | A | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | -114 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R305 E356 Y360 | R305-A334 HydrophobicContact CB-CB 4.41Å; A334-E356 HydrophobicContact CB-CB 4.09Å; A334-E356 WeakPolarHBondContact CB-OE2 3.45Å; A334-E356 PolarHBondContact N-O 3.4Å; A334-Y360 HydrophobicContact CB-CD1 4.26Å; A334-Y360 HydrophobicContact CB-CE1 3.54Å |
| 335 | Y | 98.9 | Very high | 98 | Very high | 16 Ų | 16 | 29 Ų | 29 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 148.3 | -172.7 | -73.1 | 34.6 | 0 | 0 | 0 | 109.3 | I23 P162 E219 R238 Q274 Y355 E356 | I23-Y335 HydrophobicContact CD1-CD2 3.59Å; I23-Y335 HydrophobicContact CD1-CE2 3.62Å; I23-Y335 HydrophobicContact CD1-CG 4.36Å; P162-Y335 HydrophobicContact CG-CD2 3.88Å; P162-Y335 HydrophobicContact CG-CE2 3.97Å; E219-Y335 PolarHBondContact OE1-OH 2.9Å; R238-Y335 PolarHBondContact NH1-OH 2.79Å; Q274-Y335 HydrophobicContact CB-CD1 3.84Å; Q274-Y335 HydrophobicContact CB-CD2 3.5Å; Q274-Y335 VanDerWaalsContact CB-CD2 3.5Å; Q274-Y335 HydrophobicContact CB-CE1 3.85Å; Q274-Y335 HydrophobicContact CB-CE2 3.49Å; Q274-Y335 VanDerWaalsContact CB-CE2 3.49Å; Q274-Y335 HydrophobicContact CB-CG 3.67Å; Q274-Y335 HydrophobicContact CG-CD2 3.88Å; Q274-Y335 HydrophobicContact CG-CE2 4.1Å; Q274-Y335 HydrophobicContact CG-CG 4.3Å; Q274-Y335 VanDerWaalsContact OE1-CA 3.29Å; Y335-Y355 CarbonylContact O-C 3.02Å; Y335-Y355 VanDerWaalsContact O-CA 3.24Å; Y335-Y355 WeakPolarHBondContact O-CA 3.46Å; Y335-E356 PolarHBondContact N-OE2 2.85Å; Y335-E356 PolarHBondContact O-N 2.89Å |
| 336 | S | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 158.3 | 176.5 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | Q274 S276 T297 L354 | Q274-S336 PolarHBondContact NE2-O 3.28Å; Q274-S336 PolarHBondContact OE1-O 3.5Å; Q274-S336 VanDerWaalsContact OE1-O 3.14Å; S276-S336 VanDerWaalsContact CB-O 3.3Å; S276-S336 WeakPolarHBondContact CB-O 3.45Å; T297-S336 PolarHBondContact O-OG 3.3Å; T297-S336 PolarHBondContact OG1-OG 3.08Å; S336-L354 CarbonylContact C-O 3.56Å; S336-L354 WeakPolarHBondContact CA-O 3.38Å |
| 337 | D | 99 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 127.5 | 173.1 | -158.5 | 26.2 | 0 | 0 | 0 | 111.5 | A25 L26 G163 H164 Q221 S276 C353 L354 | A25-D337 VanDerWaalsContact CA-OD2 3.28Å; A25-D337 WeakPolarHBondContact CA-OD2 3.38Å; L26-D337 HydrophobicContact CB-CB 4.4Å; L26-D337 PolarHBondContact N-OD2 3.46Å; G163-D337 VanDerWaalsContact CA-OD2 3.24Å; G163-D337 WeakPolarHBondContact CA-OD2 3.39Å; H164-D337 IonicContact CE1-OD1 3.33Å; H164-D337 IonicContact CG-OD1 3.08Å; H164-D337 PolarHBondContact N-OD1 3Å; H164-D337 PolarHBondContact N-OD2 2.52Å; H164-D337 IonicContact ND1-OD1 2.8Å; H164-D337 PolarHBondContact ND1-OD1 3.42Å; H164-D337 IonicContact ND1-OD2 3.5Å; Q221-D337 PolarHBondContact NE2-OD1 2.97Å; S276-D337 PolarHBondContact OG-OD1 2.87Å; D337-C353 WeakPolarHBondContact O-CA 3.25Å; D337-L354 PolarHBondContact N-O 2.73Å; D337-L354 PolarHBondContact O-N 3.39Å |
| 338 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 150.6 | -177 | -75.8 | 168 | 0 | 0 | 0 | 111.8 | H164 S276 I278 L295 T297 G352 C353 | H164-L338 PolarHBondContact CE1-O 3.48Å; H164-L338 PolarHBondContact ND1-O 2.99Å; S276-L338 PolarHBondContact OG-N 2.91Å; I278-L338 HydrophobicContact CB-CB 4.47Å; I278-L338 HydrophobicContact CD1-CB 3.95Å; I278-L338 HydrophobicContact CG1-CB 3.95Å; I278-L338 HydrophobicContact CG1-CD1 4.09Å; I278-L338 HydrophobicContact CG2-CB 3.75Å; L295-L338 HydrophobicContact CB-CD1 4.41Å; L295-L338 HydrophobicContact CD2-CD1 4.22Å; L295-L338 HydrophobicContact CD2-CD2 4.14Å; L295-L338 HydrophobicContact CG-CD1 4.06Å; T297-L338 HydrophobicContact CG2-CD1 3.91Å; T297-L338 HydrophobicContact CG2-CD2 3.9Å; T297-L338 HydrophobicContact CG2-CG 4.1Å; T297-L338 WeakPolarHBondContact OG1-CG 3.43Å; L338-G352 CarbonylContact C-O 3.52Å; L338-G352 WeakPolarHBondContact CA-O 3.48Å; L338-C353 HydrophobicContact CD2-CB 3.78Å |
| 339 | Q | 98.9 | Very high | 97.5 | Very high | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.5 | 165.7 | -75.3 | -66.2 | -70.6 | 0 | 0 | 110.6 | L26 L35 H164 F351 G352 | L26-Q339 HydrophobicContact CB-CG 4.05Å; L26-Q339 HydrophobicContact CD2-CB 4.07Å; L26-Q339 HydrophobicContact CD2-CG 4Å; L26-Q339 HydrophobicContact CG-CB 4.37Å; L26-Q339 HydrophobicContact CG-CG 3.8Å; L26-Q339 VanDerWaalsContact O-CD 3.26Å; L26-Q339 WeakPolarHBondContact O-CG 3.47Å; L26-Q339 PolarHBondContact O-NE2 3.3Å; L35-Q339 HydrophobicContact CD2-CB 4.49Å; H164-Q339 PolarHBondContact CD2-NE2 3.19Å; Q339-F351 WeakPolarHBondContact O-CA 3.35Å; Q339-G352 PolarHBondContact N-O 3.25Å; Q339-G352 PolarHBondContact O-N 3.49Å |
| 340 | S | 98.5 | Very high | 97.5 | Very high | 35 Ų | 35 | 29 Ų | 29 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.7 | 164.9 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | Y28 | Y28-S340 WeakPolarHBondContact CD1-O 3.4Å |
| 341 | M | 98 | Very high | 97.6 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 12.1 | -176.5 | -62.2 | 176.1 | 64.7 | 0 | 0 | 112.7 | Y28 L35 Y60 V67 L350 G352 M367 | Y28-M341 HydrophobicContact CD1-CB 4.46Å; Y28-M341 HydrophobicContact CD2-CG 4.27Å; Y28-M341 HydrophobicContact CE1-CB 4.31Å; Y28-M341 HydrophobicContact CE2-CE 4.37Å; Y28-M341 HydrophobicContact CG-CG 4.26Å; L35-M341 HydrophobicContact CD1-CE 3.68Å; L35-M341 HydrophobicContact CD1-SD 3.98Å; L35-M341 HydrophobicContact CD2-CG 4.48Å; L35-M341 HydrophobicContact CD2-SD 4.4Å; L35-M341 HydrophobicContact CG-CE 4.2Å; Y60-M341 HydrophobicContact CD2-CE 4.13Å; Y60-M341 HydrophobicContact CG-CE 4.37Å; V67-M341 HydrophobicContact CG2-CE 4.21Å; M341-L350 HydrophobicContact CB-CB 4.09Å; M341-L350 HydrophobicContact CB-CD2 3.81Å; M341-L350 HydrophobicContact CB-CG 3.85Å; M341-L350 HydrophobicContact CE-CD2 4.2Å; M341-L350 PolarHBondContact N-O 3.46Å; M341-L350 HydrophobicContact SD-CD2 4.42Å; M341-L350 HydrophobicContact SD-CG 4.36Å; M341-G352 PolarHBondContact SD-N 3.27Å; M341-G352 VanDerWaalsContact SD-N 3.42Å; M341-M367 HydrophobicContact CE-SD 3.83Å; M341-M367 HydrophobicContact SD-CG 4.29Å; M341-M367 HydrophobicContact SD-SD 4.15Å |
| 342 | G | 96 | Very high | 97.6 | Very high | 37 Ų | 37 | 22 Ų | 22 | 38% | 0.381 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.4 | -142.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P349 L350 | G342-P349 WeakPolarHBondContact O-CA 3.38Å; G342-L350 PolarHBondContact O-N 2.78Å |
| 343 | T | 95.9 | Very high | 97.6 | Very high | 110 Ų | 110 | 20 Ų | 20 | 68% | 0.675 | 14% | 0.14 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128 | -177.6 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | G347 | T343-G347 WeakPolarHBondContact CG2-O 3.41Å |
| 344 | G | 95.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 20 Ų | 20 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | trans | -82.3 | 175.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | D346 G347 S348 | G344-D346 PolarHBondContact O-N 2.8Å; G344-D346 VanDerWaalsContact O-N 3.1Å; G344-G347 PolarHBondContact O-N 3.33Å; G344-S348 WeakPolarHBondContact CA-O 3.5Å; G344-S348 PolarHBondContact N-O 2.83Å | ||
| 345 | P | 95.3 | Very high | 97.7 | Very high | 39 Ų | 39 | 20.1 Ų | 20.1 | 25% | 0.253 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.7 | -174.1 | -19.8 | 31.8 | 0 | 0 | 0 | 115.5 | L7 R65 | L7-P345 HydrophobicContact CD1-CG 4.12Å; R65-P345 HydrophobicContact CB-CG 3.95Å; R65-P345 HydrophobicContact CG-CB 4.11Å; R65-P345 HydrophobicContact CG-CG 3.77Å |
| 346 | D | 94.8 | Very high | 97.7 | Very high | 65 Ų | 65 | 19.4 Ų | 19.4 | 35% | 0.348 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 7.4 | 176.4 | 62.3 | 12.3 | 0 | 0 | 0 | 113.1 | G344 S348 T369 K371 | G344-D346 PolarHBondContact O-N 2.8Å; G344-D346 VanDerWaalsContact O-N 3.1Å; D346-S348 VanDerWaalsContact C-N 3.27Å; D346-S348 VanDerWaalsContact CG-OG 3.27Å; D346-S348 PolarHBondContact O-N 3.41Å; D346-S348 WeakPolarHBondContact OD1-CB 3.39Å; D346-S348 PolarHBondContact OD1-N 3.14Å; D346-S348 PolarHBondContact OD1-OG 2.93Å; D346-S348 PolarHBondContact OD2-OG 2.73Å; D346-T369 WeakPolarHBondContact OD2-CB 3.17Å; D346-T369 PolarHBondContact OD2-OG1 3.02Å; D346-K371 HydrophobicContact CB-CD 4.45Å |
| 347 | G | 94.5 | Very high | 97.7 | Very high | 58 Ų | 58 | 19.5 Ų | 19.5 | 60% | 0.598 | 14% | 0.138 | S | C | * | . | S | Bend | trans | 82.7 | -7.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T343 G344 | T343-G347 WeakPolarHBondContact CG2-O 3.41Å; G344-G347 PolarHBondContact O-N 3.33Å |
| 348 | S | 96.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -89.7 | 163.5 | 175.9 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | G344 D346 L350 T369 K371 Y378 | G344-S348 WeakPolarHBondContact CA-O 3.5Å; G344-S348 PolarHBondContact N-O 2.83Å; D346-S348 VanDerWaalsContact C-N 3.27Å; D346-S348 VanDerWaalsContact CG-OG 3.27Å; D346-S348 PolarHBondContact O-N 3.41Å; D346-S348 WeakPolarHBondContact OD1-CB 3.39Å; D346-S348 PolarHBondContact OD1-N 3.14Å; D346-S348 PolarHBondContact OD1-OG 2.93Å; D346-S348 PolarHBondContact OD2-OG 2.73Å; S348-L350 PolarHBondContact O-N 3.32Å; S348-T369 VanDerWaalsContact OG-CB 3.23Å; S348-T369 WeakPolarHBondContact OG-CB 3.19Å; S348-T369 PolarHBondContact OG-OG1 3.4Å; S348-K371 VanDerWaalsContact OG-CB 3.32Å; S348-K371 WeakPolarHBondContact OG-CB 3.42Å; S348-K371 PolarHBondContact OG-N 2.7Å; S348-Y378 WeakPolarHBondContact CB-OH 3.41Å |
| 349 | P | 98.2 | Very high | 97.5 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 135.1 | 176.2 | -29.4 | 36.6 | 0 | 0 | 0 | 113.1 | F280 G342 F351 T369 L370 | F280-P349 HydrophobicContact CD2-CB 3.9Å; F280-P349 HydrophobicContact CD2-CG 3.81Å; F280-P349 HydrophobicContact CE2-CB 4.32Å; F280-P349 HydrophobicContact CE2-CG 4.03Å; G342-P349 WeakPolarHBondContact O-CA 3.38Å; P349-F351 HydrophobicContact CB-CE1 4.12Å; P349-F351 HydrophobicContact CB-CE2 4.11Å; P349-F351 HydrophobicContact CB-CZ 3.6Å; P349-T369 CarbonylContact O-C 3.56Å; P349-T369 WeakPolarHBondContact O-CA 3.23Å; P349-T369 WeakPolarHBondContact O-CB 3.14Å; P349-L370 HydrophobicContact CB-CB 4.3Å; P349-L370 HydrophobicContact CG-CB 4.32Å; P349-L370 HydrophobicContact CG-CD2 4.32Å; P349-L370 PolarHBondContact O-N 2.89Å |
| 350 | L | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 137.1 | 177.1 | -175.5 | 64.6 | 0 | 0 | 0 | 110.3 | L7 Y60 M341 G342 S348 M367 T369 | L7-L350 HydrophobicContact CD1-CD1 3.5Å; L7-L350 VanDerWaalsContact CD1-CD1 3.5Å; Y60-L350 HydrophobicContact CE2-CD2 4.12Å; M341-L350 HydrophobicContact CB-CB 4.09Å; M341-L350 HydrophobicContact CB-CD2 3.81Å; M341-L350 HydrophobicContact CB-CG 3.85Å; M341-L350 HydrophobicContact CE-CD2 4.2Å; M341-L350 PolarHBondContact N-O 3.46Å; M341-L350 HydrophobicContact SD-CD2 4.42Å; M341-L350 HydrophobicContact SD-CG 4.36Å; G342-L350 PolarHBondContact O-N 2.78Å; S348-L350 PolarHBondContact O-N 3.32Å; L350-M367 HydrophobicContact CD1-CG 3.76Å; L350-M367 HydrophobicContact CD1-SD 4.19Å; L350-M367 HydrophobicContact CD2-SD 4.22Å; L350-M367 HydrophobicContact CG-CG 4.34Å; L350-M367 HydrophobicContact CG-SD 4.49Å; L350-T369 HydrophobicContact CD1-CG2 3.98Å |
| 351 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.1 | -179 | -52.5 | -67.6 | 0 | 0 | 0 | 111.1 | I278 F280 L295 Q339 P349 M367 F368 L370 | I278-F351 HydrophobicContact CD1-CD1 3.86Å; I278-F351 HydrophobicContact CD1-CE1 4.17Å; F280-F351 HydrophobicContact CB-CE1 4Å; F280-F351 AromaticContact CD1-CE1 3.83Å; F280-F351 HydrophobicContact CD1-CE1 3.83Å; F280-F351 AromaticContact CD1-CZ 3.95Å; F280-F351 HydrophobicContact CD1-CZ 3.95Å; F280-F351 HydrophobicContact CD2-CE1 4.14Å; F280-F351 AromaticContact CD2-CZ 3.86Å; F280-F351 HydrophobicContact CD2-CZ 3.86Å; F280-F351 HydrophobicContact CE1-CE1 4.34Å; F280-F351 HydrophobicContact CE1-CZ 4.04Å; F280-F351 AromaticContact CE2-CZ 3.96Å; F280-F351 HydrophobicContact CE2-CZ 3.96Å; F280-F351 AromaticContact CG-CE1 3.71Å; F280-F351 HydrophobicContact CG-CE1 3.71Å; F280-F351 AromaticContact CG-CZ 3.85Å; F280-F351 HydrophobicContact CG-CZ 3.85Å; F280-F351 HydrophobicContact CZ-CZ 4.02Å; L295-F351 HydrophobicContact CD2-CB 4.32Å; L295-F351 HydrophobicContact CD2-CD1 3.72Å; L295-F351 HydrophobicContact CD2-CD2 3.84Å; L295-F351 HydrophobicContact CD2-CE1 3.88Å; L295-F351 HydrophobicContact CD2-CE2 3.99Å; L295-F351 HydrophobicContact CD2-CG 3.68Å; L295-F351 HydrophobicContact CD2-CZ 4Å; Q339-F351 WeakPolarHBondContact O-CA 3.35Å; P349-F351 HydrophobicContact CB-CE1 4.12Å; P349-F351 HydrophobicContact CB-CE2 4.11Å; P349-F351 HydrophobicContact CB-CZ 3.6Å; F351-M367 VanDerWaalsContact O-CA 3.31Å; F351-M367 WeakPolarHBondContact O-CA 3.41Å; F351-F368 HydrophobicContact CB-CD1 4.19Å; F351-F368 HydrophobicContact CB-CE1 3.89Å; F351-F368 HydrophobicContact CB-CE2 4.33Å; F351-F368 HydrophobicContact CB-CZ 3.97Å; F351-F368 HydrophobicContact CD2-CD2 4.13Å; F351-F368 AromaticContact CD2-CE2 3.82Å; F351-F368 HydrophobicContact CD2-CE2 3.82Å; F351-F368 HydrophobicContact CD2-CZ 4.23Å; F351-F368 HydrophobicContact CG-CE2 4.43Å; F351-F368 HydrophobicContact CG-CZ 4.4Å; F351-F368 PolarHBondContact N-O 3.3Å; F351-F368 PolarHBondContact O-N 3.09Å; F351-L370 HydrophobicContact CE2-CB 3.83Å; F351-L370 HydrophobicContact CE2-CD1 4.02Å; F351-L370 HydrophobicContact CZ-CB 4.35Å; F351-L370 HydrophobicContact CZ-CD1 4.24Å |
| 352 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L338 Q339 M341 | L338-G352 CarbonylContact C-O 3.52Å; L338-G352 WeakPolarHBondContact CA-O 3.48Å; Q339-G352 PolarHBondContact N-O 3.25Å; Q339-G352 PolarHBondContact O-N 3.49Å; M341-G352 PolarHBondContact SD-N 3.27Å; M341-G352 VanDerWaalsContact SD-N 3.42Å |
| 353 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 129.3 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | D337 L338 F365 L366 F368 | D337-C353 WeakPolarHBondContact O-CA 3.25Å; L338-C353 HydrophobicContact CD2-CB 3.78Å; C353-F365 CarbonylContact O-C 3.55Å; C353-F365 WeakPolarHBondContact O-CA 3.4Å; C353-L366 HydrophobicContact CB-CB 4.49Å; C353-L366 PolarHBondContact N-O 3.38Å; C353-L366 PolarHBondContact O-N 3.32Å; C353-F368 HydrophobicContact CB-CE1 4.12Å |
| 354 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.6 | 173 | -158.9 | 70 | 0 | 0 | 0 | 108.6 | V12 P24 L26 A37 S336 D337 I363 V364 F365 | V12-L354 HydrophobicContact CG2-CD1 3.5Å; P24-L354 HydrophobicContact CB-CB 4.05Å; P24-L354 HydrophobicContact CB-CD2 3.54Å; P24-L354 HydrophobicContact CB-CG 3.7Å; L26-L354 HydrophobicContact CB-CB 4.1Å; L26-L354 HydrophobicContact CD2-CB 4.35Å; A37-L354 HydrophobicContact CB-CD1 4.45Å; A37-L354 HydrophobicContact CB-CD2 3.9Å; S336-L354 CarbonylContact C-O 3.56Å; S336-L354 WeakPolarHBondContact CA-O 3.38Å; D337-L354 PolarHBondContact N-O 2.73Å; D337-L354 PolarHBondContact O-N 3.39Å; L354-I363 HydrophobicContact CD1-CG2 3.75Å; L354-I363 HydrophobicContact CD2-CG2 3.88Å; L354-I363 HydrophobicContact CG-CG2 3.44Å; L354-I363 VanDerWaalsContact CG-CG2 3.44Å; L354-V364 WeakPolarHBondContact CA-O 3.44Å; L354-F365 HydrophobicContact CD1-CB 3.98Å; L354-F365 HydrophobicContact CD1-CD2 4.48Å |
| 355 | Y | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.02 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 148.5 | -177.3 | 74.9 | -84.1 | 0 | 0 | 0 | 114.3 | K9 L308 A329 Y335 A357 I363 V364 L366 | K9-Y355 WeakPolarHBondContact CE-OH 3.33Å; K9-Y355 PolarHBondContact NZ-OH 3.44Å; L308-Y355 HydrophobicContact CD2-CD1 3.81Å; L308-Y355 HydrophobicContact CD2-CD2 3.84Å; L308-Y355 HydrophobicContact CD2-CE1 4.34Å; L308-Y355 HydrophobicContact CD2-CE2 4.38Å; L308-Y355 HydrophobicContact CD2-CG 3.55Å; A329-Y355 HydrophobicContact CB-CE1 4.49Å; A329-Y355 HydrophobicContact CB-CE2 3.84Å; A329-Y355 WeakPolarHBondContact CB-OH 3.47Å; Y335-Y355 CarbonylContact O-C 3.02Å; Y335-Y355 VanDerWaalsContact O-CA 3.24Å; Y335-Y355 WeakPolarHBondContact O-CA 3.46Å; Y355-A357 HydrophobicContact CD2-CB 4.13Å; Y355-A357 HydrophobicContact CE2-CB 3.58Å; Y355-I363 CarbonylContact O-C 3.55Å; Y355-I363 WeakPolarHBondContact O-CA 3.09Å; Y355-V364 HydrophobicContact CD1-CB 4.04Å; Y355-V364 HydrophobicContact CD1-CG1 4.41Å; Y355-V364 WeakPolarHBondContact CD1-O 3.33Å; Y355-V364 HydrophobicContact CE1-CB 3.5Å; Y355-V364 VanDerWaalsContact CE1-CB 3.5Å; Y355-V364 HydrophobicContact CE1-CG1 3.54Å; Y355-V364 HydrophobicContact CE1-CG2 4.46Å; Y355-V364 HydrophobicContact CE2-CB 4.33Å; Y355-V364 PolarHBondContact N-O 3.37Å; Y355-V364 PolarHBondContact O-N 2.96Å; Y355-L366 HydrophobicContact CE1-CB 4.24Å; Y355-L366 HydrophobicContact CE1-CD1 4.17Å |
| 356 | E | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 129.8 | 172.9 | -61.6 | -176.3 | 141.4 | 0 | 0 | 110.3 | R22 I23 P24 C333 A334 Y335 Y360 | R22-E356 VanDerWaalsContact CA-OE1 3.26Å; R22-E356 WeakPolarHBondContact CA-OE1 3.35Å; R22-E356 WeakPolarHBondContact CB-OE1 3.24Å; R22-E356 WeakPolarHBondContact CG-OE1 3.1Å; R22-E356 IonicContact CZ-OE1 3.37Å; R22-E356 IonicContact CZ-OE2 2.76Å; R22-E356 IonicContact NE-OE1 3.69Å; R22-E356 PolarHBondContact NE-OE1 2.69Å; R22-E356 IonicContact NE-OE2 3.58Å; R22-E356 IonicContact NH2-OE1 3.96Å; R22-E356 PolarHBondContact NH2-OE1 2.86Å; R22-E356 IonicContact NH2-OE2 3.71Å; R22-E356 PolarHBondContact NH2-OE2 2.83Å; R22-E356 VanDerWaalsContact NH2-OE2 3.09Å; I23-E356 PolarHBondContact N-OE1 3.31Å; P24-E356 HydrophobicContact CG-CG 4.27Å; C333-E356 VanDerWaalsContact CA-O 3.3Å; C333-E356 WeakPolarHBondContact CA-O 3.31Å; A334-E356 HydrophobicContact CB-CB 4.09Å; A334-E356 WeakPolarHBondContact CB-OE2 3.45Å; A334-E356 PolarHBondContact N-O 3.4Å; Y335-E356 PolarHBondContact N-OE2 2.85Å; Y335-E356 PolarHBondContact O-N 2.89Å; E356-Y360 HydrophobicContact CB-CD1 4.35Å; E356-Y360 WeakPolarHBondContact OE2-CD1 3.42Å; E356-Y360 WeakPolarHBondContact OE2-CE1 3.43Å |
| 357 | A | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 165.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S332 Y355 D359 Y360 E361 E362 V364 | S332-A357 WeakPolarHBondContact O-CA 3.16Å; Y355-A357 HydrophobicContact CD2-CB 4.13Å; Y355-A357 HydrophobicContact CE2-CB 3.58Å; A357-D359 PolarHBondContact O-N 3.19Å; A357-Y360 PolarHBondContact O-N 2.75Å; A357-Y360 VanDerWaalsContact O-N 3.08Å; A357-E361 PolarHBondContact O-N 3.34Å; A357-E362 HydrophobicContact CB-CG 3.99Å; A357-E362 PolarHBondContact N-O 2.98Å; A357-V364 HydrophobicContact CB-CG2 3.92Å |
| 358 | N | 97.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 18.4 Ų | 18.4 | 46% | 0.46 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 56.5 | 168 | -68.6 | -14.9 | 0 | 0 | 0 | 113.4 | S332 Y360 E361 E362 | S332-N358 PolarHBondContact O-N 2.93Å; S332-N358 VanDerWaalsContact O-N 3.13Å; N358-Y360 VanDerWaalsContact C-N 3.3Å; N358-Y360 PolarHBondContact O-N 2.81Å; N358-E361 VanDerWaalsContact O-CB 3.29Å; N358-E361 WeakPolarHBondContact O-CB 3.46Å; N358-E361 VanDerWaalsContact O-CG 3.28Å; N358-E361 WeakPolarHBondContact O-CG 3.32Å; N358-E361 PolarHBondContact O-N 2.86Å; N358-E362 HydrophobicContact CB-CG 4.47Å; N358-E362 PolarHBondContact ND2-OE1 3.24Å |
| 359 | D | 97.3 | Very high | 98.5 | Very high | 86 Ų | 86 | 18.3 Ų | 18.3 | 46% | 0.46 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 43.8 | -177.1 | -170.1 | 51.9 | 0 | 0 | 0 | 112.8 | K45 S332 A357 E361 | K45-D359 VanDerWaalsContact CE-O 3.31Å; K45-D359 WeakPolarHBondContact CE-O 3.44Å; K45-D359 PolarHBondContact NZ-O 3Å; K45-D359 IonicContact NZ-OD2 3.32Å; K45-D359 PolarHBondContact NZ-OD2 3.29Å; S332-D359 PolarHBondContact OG-N 3.22Å; A357-D359 PolarHBondContact O-N 3.19Å; D359-E361 PolarHBondContact O-N 2.59Å |
| 360 | Y | 97.6 | Very high | 98.5 | Very high | 45 Ų | 45 | 17.5 Ų | 17.5 | 18% | 0.176 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 23.4 | 178.8 | -36.8 | -80.7 | 0 | 0 | 0 | 113.8 | S15 R305 A334 E356 A357 N358 | S15-Y360 PolarHBondContact OG-O 2.94Å; R305-Y360 PolarHBondContact NH1-OH 3.35Å; A334-Y360 HydrophobicContact CB-CD1 4.26Å; A334-Y360 HydrophobicContact CB-CE1 3.54Å; E356-Y360 HydrophobicContact CB-CD1 4.35Å; E356-Y360 WeakPolarHBondContact OE2-CD1 3.42Å; E356-Y360 WeakPolarHBondContact OE2-CE1 3.43Å; A357-Y360 PolarHBondContact O-N 2.75Å; A357-Y360 VanDerWaalsContact O-N 3.08Å; N358-Y360 VanDerWaalsContact C-N 3.3Å; N358-Y360 PolarHBondContact O-N 2.81Å |
| 361 | E | 98 | Very high | 98.4 | Very high | 108 Ų | 108 | 22 Ų | 22 | 51% | 0.505 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -17.6 | 176.7 | -67.5 | -176.3 | -176.9 | 0 | 0 | 112.2 | S15 K45 A357 N358 D359 | S15-E361 WeakPolarHBondContact CB-O 3.38Å; S15-E361 PolarHBondContact N-O 2.83Å; S15-E361 PolarHBondContact OG-O 3.33Å; K45-E361 IonicContact NZ-OE1 2.86Å; K45-E361 PolarHBondContact NZ-OE1 2.77Å; A357-E361 PolarHBondContact O-N 3.34Å; N358-E361 VanDerWaalsContact O-CB 3.29Å; N358-E361 WeakPolarHBondContact O-CB 3.46Å; N358-E361 VanDerWaalsContact O-CG 3.28Å; N358-E361 WeakPolarHBondContact O-CG 3.32Å; N358-E361 PolarHBondContact O-N 2.86Å; D359-E361 PolarHBondContact O-N 2.59Å |
| 362 | E | 98.4 | Very high | 98.3 | Very high | 29 Ų | 29 | 24.2 Ų | 24.2 | 14% | 0.136 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.3 | 177 | 63.5 | -174.2 | 164.5 | 0 | 0 | 112.5 | S11 F13 Q14 A357 N358 V364 | S11-E362 VanDerWaalsContact CB-OE2 3.25Å; S11-E362 WeakPolarHBondContact CB-OE2 3.39Å; S11-E362 PolarHBondContact OG-OE2 3.42Å; F13-E362 CarbonylContact O-C 3.6Å; F13-E362 VanDerWaalsContact O-CA 3.26Å; F13-E362 WeakPolarHBondContact O-CA 3.22Å; F13-E362 WeakPolarHBondContact O-CB 3.49Å; Q14-E362 HydrophobicContact CG-CB 4.22Å; A357-E362 HydrophobicContact CB-CG 3.99Å; A357-E362 PolarHBondContact N-O 2.98Å; N358-E362 HydrophobicContact CB-CG 4.47Å; N358-E362 PolarHBondContact ND2-OE1 3.24Å; E362-V364 HydrophobicContact CG-CG2 3.93Å |
| 363 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.4 | 166.7 | -61 | 174.5 | 0 | 0 | 0 | 107.2 | V12 F13 P24 A39 L354 Y355 | V12-I363 HydrophobicContact CG2-CG2 4.42Å; V12-I363 WeakPolarHBondContact CG2-O 3.33Å; V12-I363 PolarHBondContact N-O 2.7Å; F13-I363 HydrophobicContact CB-CB 4.05Å; F13-I363 HydrophobicContact CB-CD1 4.36Å; F13-I363 HydrophobicContact CB-CG1 4.42Å; F13-I363 HydrophobicContact CD2-CB 3.95Å; F13-I363 HydrophobicContact CD2-CD1 4Å; F13-I363 HydrophobicContact CD2-CG2 4.11Å; F13-I363 HydrophobicContact CG-CB 4.49Å; F13-I363 HydrophobicContact CG-CD1 4.48Å; F13-I363 PolarHBondContact N-O 3.41Å; F13-I363 PolarHBondContact O-N 3.07Å; P24-I363 HydrophobicContact CB-CD1 4.44Å; P24-I363 HydrophobicContact CB-CG2 3.91Å; A39-I363 HydrophobicContact CB-CD1 3.54Å; L354-I363 HydrophobicContact CD1-CG2 3.75Å; L354-I363 HydrophobicContact CD2-CG2 3.88Å; L354-I363 HydrophobicContact CG-CG2 3.44Å; L354-I363 VanDerWaalsContact CG-CG2 3.44Å; Y355-I363 CarbonylContact O-C 3.55Å; Y355-I363 WeakPolarHBondContact O-CA 3.09Å |
| 364 | V | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.4 | -174.4 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | K9 E10 L354 Y355 A357 E362 | K9-V364 HydrophobicContact CG-CG1 3.82Å; E10-V364 CarbonylContact O-C 3.56Å; E10-V364 WeakPolarHBondContact O-CA 3.5Å; E10-V364 WeakPolarHBondContact O-CG1 3.45Å; L354-V364 WeakPolarHBondContact CA-O 3.44Å; Y355-V364 HydrophobicContact CD1-CB 4.04Å; Y355-V364 HydrophobicContact CD1-CG1 4.41Å; Y355-V364 WeakPolarHBondContact CD1-O 3.33Å; Y355-V364 HydrophobicContact CE1-CB 3.5Å; Y355-V364 VanDerWaalsContact CE1-CB 3.5Å; Y355-V364 HydrophobicContact CE1-CG1 3.54Å; Y355-V364 HydrophobicContact CE1-CG2 4.46Å; Y355-V364 HydrophobicContact CE2-CB 4.33Å; Y355-V364 PolarHBondContact N-O 3.37Å; Y355-V364 PolarHBondContact O-N 2.96Å; A357-V364 HydrophobicContact CB-CG2 3.92Å; E362-V364 HydrophobicContact CG-CG2 3.93Å |
| 365 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.4 | 164.2 | 176 | -111.3 | 0 | 0 | 0 | 110 | K9 E10 V12 L26 L35 V67 W69 C353 L354 M367 | K9-F365 WeakPolarHBondContact CA-O 3.13Å; E10-F365 HydrophobicContact CG-CB 4.39Å; E10-F365 HydrophobicContact CG-CD1 4.37Å; E10-F365 PolarHBondContact N-O 3.19Å; E10-F365 PolarHBondContact O-N 2.77Å; V12-F365 HydrophobicContact CG1-CB 3.58Å; V12-F365 HydrophobicContact CG2-CB 4.37Å; L26-F365 HydrophobicContact CD2-CE2 4.31Å; L35-F365 HydrophobicContact CD1-CE2 3.62Å; L35-F365 HydrophobicContact CD1-CZ 3.59Å; V67-F365 HydrophobicContact CB-CE1 3.87Å; V67-F365 HydrophobicContact CB-CZ 4.33Å; V67-F365 HydrophobicContact CG2-CE1 3.68Å; V67-F365 HydrophobicContact CG2-CZ 3.73Å; W69-F365 HydrophobicContact CZ2-CB 4.19Å; W69-F365 AromaticContact CZ2-CD1 3.92Å; W69-F365 HydrophobicContact CZ2-CD1 3.92Å; W69-F365 AromaticContact CZ2-CD2 3.75Å; W69-F365 HydrophobicContact CZ2-CD2 3.75Å; W69-F365 HydrophobicContact CZ2-CE1 4.22Å; W69-F365 HydrophobicContact CZ2-CE2 4.06Å; W69-F365 AromaticContact CZ2-CG 3.66Å; W69-F365 HydrophobicContact CZ2-CG 3.66Å; W69-F365 HydrophobicContact CZ2-CZ 4.29Å; W69-F365 AromaticContact NE1-CD1 3.7Å; C353-F365 CarbonylContact O-C 3.55Å; C353-F365 WeakPolarHBondContact O-CA 3.4Å; L354-F365 HydrophobicContact CD1-CB 3.98Å; L354-F365 HydrophobicContact CD1-CD2 4.48Å; F365-M367 HydrophobicContact CE1-CB 3.84Å; F365-M367 HydrophobicContact CZ-CB 3.78Å; F365-M367 HydrophobicContact CZ-CG 4.35Å; F365-M367 HydrophobicContact CZ-SD 4.4Å |
| 366 | L | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 125.6 | 178.8 | -170.7 | 163.7 | 0 | 0 | 0 | 108.7 | V6 Q8 L328 C353 Y355 F368 | V6-L366 HydrophobicContact CB-CD2 4.11Å; V6-L366 HydrophobicContact CB-CG 4.4Å; V6-L366 HydrophobicContact CG1-CD1 4.35Å; V6-L366 HydrophobicContact CG1-CD2 3.62Å; V6-L366 HydrophobicContact CG1-CG 4.07Å; V6-L366 HydrophobicContact CG2-CG 4.31Å; Q8-L366 WeakPolarHBondContact O-CA 2.84Å; L328-L366 HydrophobicContact CB-CD1 4.21Å; C353-L366 HydrophobicContact CB-CB 4.49Å; C353-L366 PolarHBondContact N-O 3.38Å; C353-L366 PolarHBondContact O-N 3.32Å; Y355-L366 HydrophobicContact CE1-CB 4.24Å; Y355-L366 HydrophobicContact CE1-CD1 4.17Å; L366-F368 HydrophobicContact CD2-CB 4.03Å; L366-F368 HydrophobicContact CD2-CD1 3.15Å; L366-F368 HydrophobicContact CD2-CE1 3.8Å; L366-F368 HydrophobicContact CD2-CG 3.88Å |
| 367 | M | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.1 | 178.4 | -170.9 | 172.4 | 60.6 | 0 | 0 | 110.7 | V6 L7 Q8 Y60 R65 V67 M341 L350 F351 F365 | V6-M367 WeakPolarHBondContact CB-O 3.38Å; L7-M367 WeakPolarHBondContact CA-O 3.31Å; L7-M367 HydrophobicContact CB-CE 4.05Å; L7-M367 WeakPolarHBondContact CB-O 3.26Å; L7-M367 HydrophobicContact CD1-CE 4.47Å; L7-M367 PolarHBondContact N-O 3.01Å; Q8-M367 HydrophobicContact CB-CB 4.04Å; Q8-M367 HydrophobicContact CB-CE 4.04Å; Q8-M367 PolarHBondContact N-O 2.84Å; Q8-M367 PolarHBondContact O-N 3.49Å; Y60-M367 HydrophobicContact CD2-CE 4.34Å; Y60-M367 HydrophobicContact CD2-SD 4Å; Y60-M367 HydrophobicContact CE2-CE 3.89Å; Y60-M367 HydrophobicContact CE2-SD 3.79Å; R65-M367 WeakPolarHBondContact O-CE 3.46Å; V67-M367 HydrophobicContact CG2-CE 4.38Å; V67-M367 HydrophobicContact CG2-SD 3.9Å; M341-M367 HydrophobicContact CE-SD 3.83Å; M341-M367 HydrophobicContact SD-CG 4.29Å; M341-M367 HydrophobicContact SD-SD 4.15Å; L350-M367 HydrophobicContact CD1-CG 3.76Å; L350-M367 HydrophobicContact CD1-SD 4.19Å; L350-M367 HydrophobicContact CD2-SD 4.22Å; L350-M367 HydrophobicContact CG-CG 4.34Å; L350-M367 HydrophobicContact CG-SD 4.49Å; F351-M367 VanDerWaalsContact O-CA 3.31Å; F351-M367 WeakPolarHBondContact O-CA 3.41Å; F365-M367 HydrophobicContact CE1-CB 3.84Å; F365-M367 HydrophobicContact CZ-CB 3.78Å; F365-M367 HydrophobicContact CZ-CG 4.35Å; F365-M367 HydrophobicContact CZ-SD 4.4Å |
| 368 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 165.1 | -173.9 | 67.1 | -75.7 | 0 | 0 | 0 | 111.7 | L4 V6 L295 L328 F351 C353 L366 Q372 A373 | L4-F368 HydrophobicContact CD2-CD2 4.31Å; V6-F368 HydrophobicContact CB-CB 4.18Å; V6-F368 HydrophobicContact CG1-CB 3.94Å; L295-F368 HydrophobicContact CD2-CE2 4.37Å; L295-F368 HydrophobicContact CD2-CZ 4.05Å; L328-F368 HydrophobicContact CD1-CE1 4.23Å; L328-F368 HydrophobicContact CD1-CZ 4.13Å; L328-F368 HydrophobicContact CD2-CD2 4.5Å; L328-F368 HydrophobicContact CD2-CE1 4.43Å; L328-F368 HydrophobicContact CD2-CE2 4.24Å; L328-F368 HydrophobicContact CD2-CZ 4.17Å; F351-F368 HydrophobicContact CB-CD1 4.19Å; F351-F368 HydrophobicContact CB-CE1 3.89Å; F351-F368 HydrophobicContact CB-CE2 4.33Å; F351-F368 HydrophobicContact CB-CZ 3.97Å; F351-F368 HydrophobicContact CD2-CD2 4.13Å; F351-F368 AromaticContact CD2-CE2 3.82Å; F351-F368 HydrophobicContact CD2-CE2 3.82Å; F351-F368 HydrophobicContact CD2-CZ 4.23Å; F351-F368 HydrophobicContact CG-CE2 4.43Å; F351-F368 HydrophobicContact CG-CZ 4.4Å; F351-F368 PolarHBondContact N-O 3.3Å; F351-F368 PolarHBondContact O-N 3.09Å; C353-F368 HydrophobicContact CB-CE1 4.12Å; L366-F368 HydrophobicContact CD2-CB 4.03Å; L366-F368 HydrophobicContact CD2-CD1 3.15Å; L366-F368 HydrophobicContact CD2-CE1 3.8Å; L366-F368 HydrophobicContact CD2-CG 3.88Å; F368-Q372 VanDerWaalsContact CA-OE1 3.24Å; F368-A373 HydrophobicContact CD2-CB 3.89Å; F368-A373 HydrophobicContact CE2-CB 3.87Å |
| 369 | T | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 162.9 | 177.7 | 71.6 | 0 | 0 | 0 | 0 | 112.5 | L7 D346 S348 P349 L350 K371 Q372 A373 | L7-T369 HydrophobicContact CD1-CG2 3.81Å; D346-T369 WeakPolarHBondContact OD2-CB 3.17Å; D346-T369 PolarHBondContact OD2-OG1 3.02Å; S348-T369 VanDerWaalsContact OG-CB 3.23Å; S348-T369 WeakPolarHBondContact OG-CB 3.19Å; S348-T369 PolarHBondContact OG-OG1 3.4Å; P349-T369 CarbonylContact O-C 3.56Å; P349-T369 WeakPolarHBondContact O-CA 3.23Å; P349-T369 WeakPolarHBondContact O-CB 3.14Å; L350-T369 HydrophobicContact CD1-CG2 3.98Å; T369-K371 VanDerWaalsContact C-N 3.26Å; T369-K371 PolarHBondContact O-N 3.07Å; T369-Q372 PolarHBondContact O-N 3.4Å; T369-Q372 WeakPolarHBondContact OG1-CG 3.33Å; T369-Q372 PolarHBondContact OG1-N 2.82Å; T369-A373 PolarHBondContact O-N 2.96Å; T369-A373 VanDerWaalsContact O-N 3.07Å |
| 370 | L | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -40 | 174.6 | -168.4 | 69.4 | 0 | 0 | 0 | 111.4 | F280 P283 W293 L312 P349 F351 Q372 A373 F374 Y378 | F280-L370 HydrophobicContact CE2-CD1 4.11Å; F280-L370 HydrophobicContact CE2-CD2 3.81Å; F280-L370 HydrophobicContact CZ-CD1 3.75Å; F280-L370 HydrophobicContact CZ-CD2 4.17Å; P283-L370 HydrophobicContact CB-CD2 4.24Å; P283-L370 HydrophobicContact CG-CD2 3.75Å; W293-L370 HydrophobicContact CE3-CD2 4.37Å; W293-L370 HydrophobicContact CZ3-CD2 4.38Å; L312-L370 HydrophobicContact CD1-CD1 4.08Å; L312-L370 HydrophobicContact CD2-CD1 4.5Å; P349-L370 HydrophobicContact CB-CB 4.3Å; P349-L370 HydrophobicContact CG-CB 4.32Å; P349-L370 HydrophobicContact CG-CD2 4.32Å; P349-L370 PolarHBondContact O-N 2.89Å; F351-L370 HydrophobicContact CE2-CB 3.83Å; F351-L370 HydrophobicContact CE2-CD1 4.02Å; F351-L370 HydrophobicContact CZ-CB 4.35Å; F351-L370 HydrophobicContact CZ-CD1 4.24Å; L370-Q372 VanDerWaalsContact C-N 3.32Å; L370-Q372 PolarHBondContact O-N 2.73Å; L370-A373 PolarHBondContact O-N 3.3Å; L370-F374 HydrophobicContact CD1-CD2 3.79Å; L370-F374 HydrophobicContact CD1-CE2 4.47Å; L370-F374 PolarHBondContact O-N 3.31Å; L370-Y378 HydrophobicContact CB-CE2 4.34Å; L370-Y378 HydrophobicContact CD2-CE2 4.17Å; L370-Y378 WeakPolarHBondContact CD2-OH 3.31Å; L370-Y378 HydrophobicContact CG-CE2 4.16Å |
| 371 | K | 96.9 | Very high | 93 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 179.3 | -174.8 | 175.2 | -175.3 | 174.4 | 0 | 112.7 | D346 S348 T369 P375 Y378 | D346-K371 HydrophobicContact CB-CD 4.45Å; S348-K371 VanDerWaalsContact OG-CB 3.32Å; S348-K371 WeakPolarHBondContact OG-CB 3.42Å; S348-K371 PolarHBondContact OG-N 2.7Å; T369-K371 VanDerWaalsContact C-N 3.26Å; T369-K371 PolarHBondContact O-N 3.07Å; K371-P375 VanDerWaalsContact O-CA 3.31Å; K371-P375 WeakPolarHBondContact O-CA 3.31Å; K371-P375 WeakPolarHBondContact O-CB 3.38Å; K371-Y378 HydrophobicContact CB-CD2 3.81Å; K371-Y378 HydrophobicContact CB-CE2 3.77Å; K371-Y378 HydrophobicContact CB-CG 4.25Å; K371-Y378 HydrophobicContact CD-CD1 4.39Å; K371-Y378 HydrophobicContact CD-CG 4.26Å; K371-Y378 HydrophobicContact CG-CD1 4.47Å; K371-Y378 HydrophobicContact CG-CD2 3.86Å; K371-Y378 HydrophobicContact CG-CE2 4.34Å; K371-Y378 HydrophobicContact CG-CG 3.95Å |
| 372 | Q | 97.1 | Very high | 92.7 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -52.5 | 171.5 | -73.7 | 173.5 | -36.2 | 0 | 0 | 110.5 | L4 F368 T369 L370 | L4-Q372 WeakPolarHBondContact CD1-O 3.49Å; L4-Q372 HydrophobicContact CD2-CB 4.37Å; F368-Q372 VanDerWaalsContact CA-OE1 3.24Å; T369-Q372 PolarHBondContact O-N 3.4Å; T369-Q372 WeakPolarHBondContact OG1-CG 3.33Å; T369-Q372 PolarHBondContact OG1-N 2.82Å; L370-Q372 VanDerWaalsContact C-N 3.32Å; L370-Q372 PolarHBondContact O-N 2.73Å |
| 373 | A | 97.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.4 | -46.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L4 V326 F368 T369 L370 P375 | L4-A373 HydrophobicContact CD2-CB 3.88Å; V326-A373 WeakPolarHBondContact CG1-O 3.39Å; V326-A373 VanDerWaalsContact CG2-O 3.29Å; V326-A373 WeakPolarHBondContact CG2-O 3.37Å; F368-A373 HydrophobicContact CD2-CB 3.89Å; F368-A373 HydrophobicContact CE2-CB 3.87Å; T369-A373 PolarHBondContact O-N 2.96Å; T369-A373 VanDerWaalsContact O-N 3.07Å; L370-A373 PolarHBondContact O-N 3.3Å; A373-P375 VanDerWaalsContact C-CD 3.48Å; A373-P375 WeakPolarHBondContact O-CD 3.25Å |
| 374 | F | 97.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | trans | -126 | 68.8 | -174 | -57 | -85.4 | 0 | 0 | 0 | 110.5 | L295 A310 L312 V326 L370 A376 E377 | L295-F374 HydrophobicContact CD1-CE2 3.92Å; A310-F374 HydrophobicContact CB-CE2 4.35Å; A310-F374 HydrophobicContact CB-CZ 4.2Å; A310-F374 WeakPolarHBondContact O-CZ 3.41Å; L312-F374 HydrophobicContact CB-CD1 4.2Å; L312-F374 HydrophobicContact CB-CD2 4.35Å; L312-F374 HydrophobicContact CB-CE1 3.77Å; L312-F374 HydrophobicContact CB-CE2 3.94Å; L312-F374 HydrophobicContact CB-CG 4.48Å; L312-F374 HydrophobicContact CB-CZ 3.64Å; L312-F374 HydrophobicContact CD2-CB 4.37Å; L312-F374 HydrophobicContact CD2-CD1 4.24Å; L312-F374 HydrophobicContact CD2-CD2 4.18Å; L312-F374 HydrophobicContact CD2-CG 4Å; V326-F374 HydrophobicContact CB-CE1 4.31Å; V326-F374 HydrophobicContact CB-CZ 4.41Å; V326-F374 HydrophobicContact CG2-CD1 3.8Å; V326-F374 HydrophobicContact CG2-CE1 3.49Å; V326-F374 VanDerWaalsContact CG2-CE1 3.49Å; V326-F374 HydrophobicContact CG2-CZ 4.06Å; L370-F374 HydrophobicContact CD1-CD2 3.79Å; L370-F374 HydrophobicContact CD1-CE2 4.47Å; L370-F374 PolarHBondContact O-N 3.31Å; F374-A376 PolarHBondContact O-N 3.08Å; F374-A376 VanDerWaalsContact O-N 3.16Å; F374-E377 HydrophobicContact CB-CG 3.89Å; F374-E377 WeakPolarHBondContact O-CB 3.23Å; F374-E377 PolarHBondContact O-N 3.19Å; F374-E377 VanDerWaalsContact O-N 3.13Å | ||
| 375 | P | 95.6 | Very high | 91.7 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -63.6 | -24.3 | -175.4 | 25.5 | -35 | 0 | 0 | 0 | 113.2 | K371 A373 E377 Y378 | K371-P375 VanDerWaalsContact O-CA 3.31Å; K371-P375 WeakPolarHBondContact O-CA 3.31Å; K371-P375 WeakPolarHBondContact O-CB 3.38Å; A373-P375 VanDerWaalsContact C-CD 3.48Å; A373-P375 WeakPolarHBondContact O-CD 3.25Å; P375-E377 PolarHBondContact O-N 3.4Å; P375-Y378 PolarHBondContact O-N 3.15Å |
| 376 | A | 93.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 59 Ų | 59 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -60.7 | -27.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F374 Y378 L379 | F374-A376 PolarHBondContact O-N 3.08Å; F374-A376 VanDerWaalsContact O-N 3.16Å; A376-Y378 PolarHBondContact O-N 3.03Å; A376-L379 PolarHBondContact O-N 2.74Å |
| 377 | E | 92.6 | Very high | 90.7 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 29% | 0.29 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -70.6 | -8.6 | 176.7 | -57.8 | -58.6 | 151.6 | 0 | 0 | 113.2 | H284 W293 L312 F374 P375 | H284-E377 IonicContact CE1-OE2 3.18Å; W293-E377 HydrophobicContact CH2-CG 4.42Å; W293-E377 WeakPolarHBondContact CH2-OE2 3.49Å; W293-E377 HydrophobicContact CZ3-CG 4.13Å; L312-E377 HydrophobicContact CD2-CG 4.19Å; F374-E377 HydrophobicContact CB-CG 3.89Å; F374-E377 WeakPolarHBondContact O-CB 3.23Å; F374-E377 PolarHBondContact O-N 3.19Å; F374-E377 VanDerWaalsContact O-N 3.13Å; P375-E377 PolarHBondContact O-N 3.4Å |
| 378 | Y | 88.6 | Confident | 90.2 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -118.9 | 3.4 | -177.4 | -65.5 | -91.5 | 0 | 0 | 0 | 113.1 | S348 L370 K371 P375 A376 | S348-Y378 WeakPolarHBondContact CB-OH 3.41Å; L370-Y378 HydrophobicContact CB-CE2 4.34Å; L370-Y378 HydrophobicContact CD2-CE2 4.17Å; L370-Y378 WeakPolarHBondContact CD2-OH 3.31Å; L370-Y378 HydrophobicContact CG-CE2 4.16Å; K371-Y378 HydrophobicContact CB-CD2 3.81Å; K371-Y378 HydrophobicContact CB-CE2 3.77Å; K371-Y378 HydrophobicContact CB-CG 4.25Å; K371-Y378 HydrophobicContact CD-CD1 4.39Å; K371-Y378 HydrophobicContact CD-CG 4.26Å; K371-Y378 HydrophobicContact CG-CD1 4.47Å; K371-Y378 HydrophobicContact CG-CD2 3.86Å; K371-Y378 HydrophobicContact CG-CE2 4.34Å; K371-Y378 HydrophobicContact CG-CG 3.95Å; P375-Y378 PolarHBondContact O-N 3.15Å; A376-Y378 PolarHBondContact O-N 3.03Å |
| 379 | L | 82.6 | Confident | 89.5 | Confident | 120 Ų | 120 | 72.5 Ų | 72.5 | 63% | 0.628 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -80.7 | 142.9 | 173.3 | -66.1 | 175.9 | 0 | 0 | 0 | 109.6 | A376 Q381 | A376-L379 PolarHBondContact O-N 2.74Å; L379-Q381 PolarHBondContact O-N 3.39Å |
| 380 | P | 67.9 | Low | 88.8 | Confident | 126 Ų | 126 | 78.6 Ų | 78.6 | 82% | 0.818 | 42% | 0.417 | S | S | * | . | trans | -57.3 | 126.4 | 169.6 | -16.6 | 28.4 | 0 | 0 | 0 | 109.1 | ||||
| 381 | Q | 57.1 | Low | 87.9 | Confident | 251 Ų | 251 | 85.7 Ų | 85.7 | 100% | 1.173 | 46% | 0.455 | S | S | * | . | trans | -72.9 | 0 | 174.8 | -69.7 | -169.4 | 5.1 | 0 | 0 | 112.1 | L379 | L379-Q381 PolarHBondContact O-N 3.39Š|
Retrieved 381 of 381 residues in 2328.8 ms
(Link to these results)