| 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 | 31.1 | Very low | 50.1 | Low | 233 Ų | 233 | 130.5 Ų | 130.5 | 100% | 1.148 | 67% | 0.665 | S | S | * | * | 0 | 114 | 0 | -169.4 | -176.8 | -159.1 | 0 | 0 | 110 | |||||
| 2 | R | 30.7 | Very low | 52.7 | Low | 250 Ų | 250 | 127.5 Ų | 127.5 | 94% | 0.943 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 122.1 | 168.6 | -79.5 | -179.3 | 175 | 160.6 | -1.9 | 108.3 | S4 | R2-S4 PolarHBondContact O-N 2.76Š|
| 3 | L | 38.4 | Very low | 55.2 | Low | 151 Ų | 151 | 117.8 Ų | 117.8 | 79% | 0.791 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 121.1 | 166.1 | -80.7 | 166.4 | 0 | 0 | 0 | 108 | M5 | L3-M5 PolarHBondContact O-N 2.87Å; L3-M5 VanDerWaalsContact O-N 3.17Å |
| 4 | S | 35.8 | Very low | 57.3 | Low | 85 Ų | 85 | 113.6 Ų | 113.6 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117 | 174.7 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | R2 S6 K7 | R2-S4 PolarHBondContact O-N 2.76Å; S4-S6 PolarHBondContact O-N 3.16Å; S4-S6 PolarHBondContact OG-OG 3.38Å; S4-K7 PolarHBondContact O-N 3.26Å |
| 5 | M | 46.4 | Very low | 59.3 | Low | 115 Ų | 115 | 106.3 Ų | 106.3 | 57% | 0.567 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -73.6 | -12.4 | -167.8 | -70.3 | 173.9 | 62.9 | 0 | 0 | 113.8 | L3 K7 L8 K35 | L3-M5 PolarHBondContact O-N 2.87Å; L3-M5 VanDerWaalsContact O-N 3.17Å; M5-K7 VanDerWaalsContact C-N 3.3Å; M5-K7 PolarHBondContact O-N 3.09Å; M5-L8 WeakPolarHBondContact O-CB 3.3Å; M5-L8 PolarHBondContact O-N 3.45Å; M5-K35 HydrophobicContact CE-CD 4.42Å; M5-K35 HydrophobicContact CE-CG 4.32Å; M5-K35 PolarHBondContact O-NZ 3.17Å |
| 6 | S | 49.7 | Very low | 60.7 | Low | 80 Ų | 80 | 100.8 Ų | 100.8 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -66.8 | -26.8 | 177 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | S4 L8 D9 | S4-S6 PolarHBondContact O-N 3.16Å; S4-S6 PolarHBondContact OG-OG 3.38Å; S6-L8 PolarHBondContact O-N 3.34Å; S6-D9 WeakPolarHBondContact CA-OD2 3.14Å; S6-D9 PolarHBondContact O-N 3.41Å |
| 7 | K | 53.7 | Low | 61.8 | Low | 166 Ų | 166 | 95.8 Ų | 95.8 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -68.8 | -12.3 | 174.1 | -75.2 | -167.4 | 174.5 | -175.2 | 0 | 113.5 | S4 M5 S10 F11 | S4-K7 PolarHBondContact O-N 3.26Å; M5-K7 VanDerWaalsContact C-N 3.3Å; M5-K7 PolarHBondContact O-N 3.09Å; K7-S10 PolarHBondContact O-OG 2.64Å; K7-F11 VanDerWaalsContact O-CD2 3.29Å; K7-F11 WeakPolarHBondContact O-CD2 3.4Å; K7-F11 WeakPolarHBondContact O-CE2 3.49Å |
| 8 | L | 56.5 | Low | 62.4 | Low | 75 Ų | 75 | 93.2 Ų | 93.2 | 39% | 0.393 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -84.1 | -14 | 178.2 | -68.2 | 170 | 0 | 0 | 0 | 113.2 | M5 S6 S10 F11 K35 | M5-L8 WeakPolarHBondContact O-CB 3.3Å; M5-L8 PolarHBondContact O-N 3.45Å; S6-L8 PolarHBondContact O-N 3.34Å; L8-S10 PolarHBondContact O-N 2.83Å; L8-F11 HydrophobicContact CD2-CD2 4.27Å; L8-F11 HydrophobicContact CD2-CE2 4.3Å; L8-F11 WeakPolarHBondContact O-CB 3.27Å; L8-F11 PolarHBondContact O-N 3.3Å; L8-K35 HydrophobicContact CB-CD 4.19Å; L8-K35 HydrophobicContact CD1-CD 4.05Å |
| 9 | D | 59.6 | Low | 62.6 | Low | 109 Ų | 109 | 93.1 Ų | 93.1 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -6.9 | -173.7 | -53.5 | -41.3 | 0 | 0 | 0 | 112.6 | S6 K35 | S6-D9 WeakPolarHBondContact CA-OD2 3.14Å; S6-D9 PolarHBondContact O-N 3.41Å; D9-K35 IonicContact OD1-NZ 2.6Å; D9-K35 PolarHBondContact OD1-NZ 3.24Å; D9-K35 IonicContact OD2-NZ 3.54Å |
| 10 | S | 72.2 | Confident | 62.9 | Low | 101 Ų | 101 | 92.6 Ų | 92.6 | 71% | 0.706 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 7.7 | 168.2 | 71 | 0 | 0 | 0 | 0 | 113.7 | K7 L8 | K7-S10 PolarHBondContact O-OG 2.64Å; L8-S10 PolarHBondContact O-N 2.83Å |
| 11 | F | 76.6 | Confident | 63.2 | Low | 71 Ų | 71 | 89.1 Ų | 89.1 | 31% | 0.311 | 46% | 0.456 | S | S | . | . | trans | -95.8 | 134.5 | -178.6 | -78.6 | -108.2 | 0 | 0 | 0 | 111.9 | K7 L8 I32 | K7-F11 VanDerWaalsContact O-CD2 3.29Å; K7-F11 WeakPolarHBondContact O-CD2 3.4Å; K7-F11 WeakPolarHBondContact O-CE2 3.49Å; L8-F11 HydrophobicContact CD2-CD2 4.27Å; L8-F11 HydrophobicContact CD2-CE2 4.3Å; L8-F11 WeakPolarHBondContact O-CB 3.27Å; L8-F11 PolarHBondContact O-N 3.3Å; F11-I32 HydrophobicContact CB-CD1 3.93Å | ||
| 12 | Q | 82.2 | Confident | 65 | Low | 94 Ų | 94 | 87.2 Ų | 87.2 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 157 | 171.2 | -70.1 | 179.2 | -19.1 | 0 | 0 | 110.7 | A29 Y30 | Q12-A29 HydrophobicContact CB-CB 4.49Å; Q12-Y30 WeakPolarHBondContact CA-O 3.47Å |
| 13 | V | 84.5 | Confident | 67.2 | Low | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.006 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.9 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 108.3 | V15 A29 Y30 I32 L54 L56 I298 | V13-V15 HydrophobicContact CG1-CG2 3.74Å; V13-A29 CarbonylContact O-C 3.47Å; V13-Y30 PolarHBondContact N-O 3.02Å; V13-Y30 PolarHBondContact O-N 2.97Å; V13-I32 HydrophobicContact CG2-CD1 4.41Å; V13-I32 HydrophobicContact CG2-CG1 4.1Å; V13-L54 HydrophobicContact CG2-CD1 4.09Å; V13-L56 HydrophobicContact CB-CD2 4.03Å; V13-L56 HydrophobicContact CG1-CD1 4.37Å; V13-L56 HydrophobicContact CG2-CD2 3.97Å; V13-I298 HydrophobicContact CG1-CD1 3.42Å; V13-I298 VanDerWaalsContact CG1-CD1 3.42Å; V13-I298 HydrophobicContact CG1-CG1 4.1Å |
| 14 | L | 85.5 | Confident | 68.9 | Low | 59 Ų | 59 | 77 Ų | 77 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.7 | 179.6 | -77.4 | 167.4 | 0 | 0 | 0 | 110.1 | F17 A29 T288 | L14-F17 HydrophobicContact CB-CD1 4.04Å; L14-F17 HydrophobicContact CB-CE1 4.28Å; L14-A29 HydrophobicContact CD2-CB 3.86Å; L14-T288 WeakPolarHBondContact O-CB 3.47Å; L14-T288 WeakPolarHBondContact O-CG2 3.21Å |
| 15 | V | 86.1 | Confident | 70.7 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.03 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.4 | -173.1 | -166.9 | 0 | 0 | 0 | 0 | 112 | V13 G27 K28 Y30 I60 V66 I286 T288 I298 | V13-V15 HydrophobicContact CG1-CG2 3.74Å; V15-G27 CarbonylContact O-C 3.43Å; V15-G27 WeakPolarHBondContact O-CA 3.39Å; V15-K28 PolarHBondContact N-O 3.4Å; V15-K28 PolarHBondContact O-N 3.44Å; V15-Y30 HydrophobicContact CB-CD2 4.39Å; V15-Y30 HydrophobicContact CB-CE2 4.31Å; V15-Y30 HydrophobicContact CG2-CD2 4Å; V15-Y30 HydrophobicContact CG2-CE2 4.39Å; V15-I60 HydrophobicContact CB-CD1 3.82Å; V15-I60 HydrophobicContact CG1-CD1 3.82Å; V15-I60 HydrophobicContact CG2-CD1 3.44Å; V15-I60 VanDerWaalsContact CG2-CD1 3.44Å; V15-V66 HydrophobicContact CG1-CG1 3.74Å; V15-V66 HydrophobicContact CG1-CG2 4.28Å; V15-I286 HydrophobicContact CG1-CD1 4.49Å; V15-I286 HydrophobicContact CG1-CG2 3.88Å; V15-T288 HydrophobicContact CB-CG2 4.13Å; V15-T288 HydrophobicContact CG1-CG2 3.88Å; V15-T288 HydrophobicContact CG2-CG2 3.81Å; V15-I298 HydrophobicContact CG2-CD1 4.27Å |
| 16 | G | 82.6 | Confident | 71.9 | Confident | 17 Ų | 17 | 77.7 Ų | 77.7 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | S | Bend | trans | 78.9 | 14.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V25 V66 | G16-V25 VanDerWaalsContact O-CG1 3.27Å; G16-V25 WeakPolarHBondContact O-CG1 3.49Å; G16-V66 VanDerWaalsContact CA-CG2 3.46Å |
| 17 | F | 79.1 | Confident | 73.3 | Confident | 16 Ų | 16 | 74.5 Ų | 74.5 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | trans | -77.7 | 133.9 | 176.4 | 70.9 | -88.2 | 0 | 0 | 0 | 111.2 | L14 Y19 V25 Y89 L96 | L14-F17 HydrophobicContact CB-CD1 4.04Å; L14-F17 HydrophobicContact CB-CE1 4.28Å; F17-Y19 HydrophobicContact CB-CE2 4.37Å; F17-Y19 AromaticContact CD2-CD2 3.69Å; F17-Y19 HydrophobicContact CD2-CD2 3.69Å; F17-Y19 AromaticContact CD2-CE2 3.56Å; F17-Y19 HydrophobicContact CD2-CE2 3.56Å; F17-Y19 HydrophobicContact CE2-CD2 4.29Å; F17-Y19 HydrophobicContact CE2-CE2 4.22Å; F17-Y19 HydrophobicContact CG-CE2 4.32Å; F17-V25 VanDerWaalsContact CA-O 3.29Å; F17-V25 WeakPolarHBondContact CA-O 3.2Å; F17-Y89 HydrophobicContact CE2-CD2 4.32Å; F17-Y89 HydrophobicContact CE2-CE2 4.43Å; F17-L96 HydrophobicContact CE1-CD1 4.47Å; F17-L96 HydrophobicContact CE2-CD1 3.91Å; F17-L96 HydrophobicContact CE2-CD2 4.3Å; F17-L96 HydrophobicContact CE2-CG 3.7Å; F17-L96 HydrophobicContact CZ-CD1 3.87Å; F17-L96 HydrophobicContact CZ-CD2 4.04Å; F17-L96 HydrophobicContact CZ-CG 3.85Å | ||
| 18 | D | 73.5 | Confident | 74.8 | Confident | 50 Ų | 50 | 72 Ų | 72 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -141.4 | 101.8 | 173 | -176.2 | 7.4 | 0 | 0 | 0 | 110.1 | N20 A21 V25 | D18-N20 VanDerWaalsContact C-N 3.28Å; D18-N20 WeakPolarHBondContact OD1-CA 3.43Å; D18-N20 WeakPolarHBondContact OD1-CB 3.09Å; D18-N20 PolarHBondContact OD1-N 3.22Å; D18-N20 PolarHBondContact OD1-ND2 2.85Å; D18-A21 HydrophobicContact CB-CB 4.15Å; D18-A21 WeakPolarHBondContact O-CB 3.35Å; D18-A21 PolarHBondContact OD1-N 3.43Å; D18-V25 HydrophobicContact CB-CB 4.32Å; D18-V25 PolarHBondContact N-O 3.49Å; D18-V25 PolarHBondContact O-N 3.22Å |
| 19 | Y | 65.4 | Low | 76.3 | Confident | 91 Ų | 91 | 70 Ų | 70 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 0.7 | 176.7 | -64.3 | -74.5 | 0 | 0 | 0 | 113.6 | F17 P24 K94 | F17-Y19 HydrophobicContact CB-CE2 4.37Å; F17-Y19 AromaticContact CD2-CD2 3.69Å; F17-Y19 HydrophobicContact CD2-CD2 3.69Å; F17-Y19 AromaticContact CD2-CE2 3.56Å; F17-Y19 HydrophobicContact CD2-CE2 3.56Å; F17-Y19 HydrophobicContact CE2-CD2 4.29Å; F17-Y19 HydrophobicContact CE2-CE2 4.22Å; F17-Y19 HydrophobicContact CG-CE2 4.32Å; Y19-P24 HydrophobicContact CD1-CB 4.09Å; Y19-K94 WeakPolarHBondContact CB-O 3.44Å; Y19-K94 WeakPolarHBondContact CD2-O 3.12Å; Y19-K94 VanDerWaalsContact CG-O 3.25Å |
| 20 | N | 68.9 | Low | 77.5 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -17.7 | 169.4 | -47.8 | -81.4 | 0 | 0 | 0 | 111.7 | D18 | D18-N20 VanDerWaalsContact C-N 3.28Å; D18-N20 WeakPolarHBondContact OD1-CA 3.43Å; D18-N20 WeakPolarHBondContact OD1-CB 3.09Å; D18-N20 PolarHBondContact OD1-N 3.22Å; D18-N20 PolarHBondContact OD1-ND2 2.85Å |
| 21 | A | 68.3 | Low | 78.1 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -63.5 | 155.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D18 P23 P24 V25 | D18-A21 HydrophobicContact CB-CB 4.15Å; D18-A21 WeakPolarHBondContact O-CB 3.35Å; D18-A21 PolarHBondContact OD1-N 3.43Å; A21-P23 VanDerWaalsContact C-C 3.49Å; A21-P23 CarbonylContact C-O 3.41Å; A21-P23 VanDerWaalsContact C-O 3.27Å; A21-P23 WeakPolarHBondContact CB-O 3.41Å; A21-P23 CarbonylContact O-C 3.55Å; A21-P23 VanDerWaalsContact O-C 3.23Å; A21-P24 WeakPolarHBondContact O-CA 3.5Å; A21-P24 VanDerWaalsContact O-N 3.15Å; A21-V25 HydrophobicContact CB-CG2 3.94Å |
| 22 | Q | 70.3 | Confident | 78.4 | Confident | 192 Ų | 192 | 62.8 Ų | 62.8 | 90% | 0.897 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -127.9 | 109 | 176.7 | -65.3 | -178.5 | -2.8 | 0 | 0 | 108.8 | ||
| 23 | P | 75.9 | Confident | 78.5 | Confident | 111 Ų | 111 | 64 Ų | 64 | 72% | 0.721 | 34% | 0.337 | S | S | * | . | S | Bend | cis | -65 | 159.6 | -6.8 | 31 | -36.7 | 0 | 0 | 0 | 112.7 | A21 V25 | A21-P23 VanDerWaalsContact C-C 3.49Å; A21-P23 CarbonylContact C-O 3.41Å; A21-P23 VanDerWaalsContact C-O 3.27Å; A21-P23 WeakPolarHBondContact CB-O 3.41Å; A21-P23 CarbonylContact O-C 3.55Å; A21-P23 VanDerWaalsContact O-C 3.23Å; P23-V25 PolarHBondContact O-N 3.23Å |
| 24 | P | 73.3 | Confident | 78.4 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 49% | 0.494 | 35% | 0.353 | S | S | . | . | trans | -56.3 | 131.8 | 173.5 | -27.8 | 36.9 | 0 | 0 | 0 | 112.1 | Y19 A21 E26 | Y19-P24 HydrophobicContact CD1-CB 4.09Å; A21-P24 WeakPolarHBondContact O-CA 3.5Å; A21-P24 VanDerWaalsContact O-N 3.15Å; P24-E26 PolarHBondContact O-N 3.2Å | ||
| 25 | V | 73.8 | Confident | 78.2 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 28% | 0.279 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -85.3 | 110.8 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | G16 F17 D18 A21 P23 G27 | G16-V25 VanDerWaalsContact O-CG1 3.27Å; G16-V25 WeakPolarHBondContact O-CG1 3.49Å; F17-V25 VanDerWaalsContact CA-O 3.29Å; F17-V25 WeakPolarHBondContact CA-O 3.2Å; D18-V25 HydrophobicContact CB-CB 4.32Å; D18-V25 PolarHBondContact N-O 3.49Å; D18-V25 PolarHBondContact O-N 3.22Å; A21-V25 HydrophobicContact CB-CG2 3.94Å; P23-V25 PolarHBondContact O-N 3.23Å; V25-G27 PolarHBondContact O-N 3.18Å |
| 26 | E | 73.1 | Confident | 77.9 | Confident | 168 Ų | 168 | 67.5 Ų | 67.5 | 79% | 0.785 | 36% | 0.357 | S | S | * | . | trans | -73.6 | 115 | 168.8 | -62.7 | -160.1 | 147.4 | 0 | 0 | 109.8 | P24 | P24-E26 PolarHBondContact O-N 3.2Š| ||
| 27 | G | 79.1 | Confident | 77.9 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 148.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V15 V25 | V15-G27 CarbonylContact O-C 3.43Å; V15-G27 WeakPolarHBondContact O-CA 3.39Å; V25-G27 PolarHBondContact O-N 3.18Å |
| 28 | K | 85.1 | Confident | 78 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 136.2 | 179.4 | 178.7 | 172.9 | 161.5 | -159.5 | 0 | 110.7 | V15 Y30 | V15-K28 PolarHBondContact N-O 3.4Å; V15-K28 PolarHBondContact O-N 3.44Å; K28-Y30 HydrophobicContact CB-CE2 3.79Å; K28-Y30 HydrophobicContact CD-CE2 3.99Å; K28-Y30 VanDerWaalsContact CD-OH 3.3Å; K28-Y30 WeakPolarHBondContact CD-OH 3.5Å; K28-Y30 WeakPolarHBondContact CE-OH 3.17Å; K28-Y30 HydrophobicContact CG-CD2 4.34Å; K28-Y30 HydrophobicContact CG-CE2 3.61Å; K28-Y30 PolarHBondContact NZ-OH 3.06Å; K28-Y30 VanDerWaalsContact O-CD2 3.28Å; K28-Y30 WeakPolarHBondContact O-CD2 3.21Å; K28-Y30 WeakPolarHBondContact O-CE2 3.42Å |
| 29 | A | 86.5 | Confident | 78.4 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 142.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q12 V13 L14 | Q12-A29 HydrophobicContact CB-CB 4.49Å; V13-A29 CarbonylContact O-C 3.47Å; L14-A29 HydrophobicContact CD2-CB 3.86Å |
| 30 | Y | 85.8 | Confident | 79 | Confident | 11 Ų | 11 | 75.4 Ų | 75.4 | 4% | 0.043 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.8 | 178 | -69 | -98.8 | 0 | 0 | 0 | 110.5 | Q12 V13 V15 K28 L56 Q58 I60 | Q12-Y30 WeakPolarHBondContact CA-O 3.47Å; V13-Y30 PolarHBondContact N-O 3.02Å; V13-Y30 PolarHBondContact O-N 2.97Å; V15-Y30 HydrophobicContact CB-CD2 4.39Å; V15-Y30 HydrophobicContact CB-CE2 4.31Å; V15-Y30 HydrophobicContact CG2-CD2 4Å; V15-Y30 HydrophobicContact CG2-CE2 4.39Å; K28-Y30 HydrophobicContact CB-CE2 3.79Å; K28-Y30 HydrophobicContact CD-CE2 3.99Å; K28-Y30 VanDerWaalsContact CD-OH 3.3Å; K28-Y30 WeakPolarHBondContact CD-OH 3.5Å; K28-Y30 WeakPolarHBondContact CE-OH 3.17Å; K28-Y30 HydrophobicContact CG-CD2 4.34Å; K28-Y30 HydrophobicContact CG-CE2 3.61Å; K28-Y30 PolarHBondContact NZ-OH 3.06Å; K28-Y30 VanDerWaalsContact O-CD2 3.28Å; K28-Y30 WeakPolarHBondContact O-CD2 3.21Å; K28-Y30 WeakPolarHBondContact O-CE2 3.42Å; Y30-L56 HydrophobicContact CD1-CD1 4.33Å; Y30-L56 HydrophobicContact CG-CD1 4.11Å; Y30-Q58 HydrophobicContact CD1-CG 3.42Å; Y30-Q58 VanDerWaalsContact CD1-CG 3.42Å; Y30-Q58 HydrophobicContact CE1-CG 3.65Å; Y30-Q58 VanDerWaalsContact CE1-NE2 3.27Å; Y30-I60 HydrophobicContact CD1-CD1 4.3Å; Y30-I60 HydrophobicContact CD1-CG1 3.75Å; Y30-I60 HydrophobicContact CD2-CD1 3.96Å; Y30-I60 HydrophobicContact CD2-CG1 4.15Å; Y30-I60 HydrophobicContact CE1-CB 4.44Å; Y30-I60 HydrophobicContact CE1-CD1 4.28Å; Y30-I60 HydrophobicContact CE1-CG1 3.42Å; Y30-I60 VanDerWaalsContact CE1-CG1 3.42Å; Y30-I60 HydrophobicContact CE2-CD1 3.88Å; Y30-I60 HydrophobicContact CE2-CG1 3.8Å; Y30-I60 HydrophobicContact CG-CD1 4.21Å; Y30-I60 HydrophobicContact CG-CG1 4.15Å; Y30-I60 VanDerWaalsContact CZ-CG1 3.46Å |
| 31 | Q | 84.8 | Confident | 79.3 | Confident | 87 Ų | 87 | 78.5 Ų | 78.5 | 41% | 0.407 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 138.5 | 176.8 | -65.9 | -70.8 | 10.2 | 0 | 0 | 110.4 | L56 K57 | Q31-L56 WeakPolarHBondContact O-CA 3.24Å; Q31-K57 HydrophobicContact CB-CB 4.42Å; Q31-K57 HydrophobicContact CB-CD 4.01Å; Q31-K57 HydrophobicContact CB-CG 4.24Å; Q31-K57 PolarHBondContact O-N 3.44Å |
| 32 | I | 83.5 | Confident | 79.8 | Confident | 30 Ų | 30 | 82.4 Ų | 82.4 | 15% | 0.154 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.1 | 176.3 | -58.2 | 164.2 | 0 | 0 | 0 | 109.3 | F11 V13 L54 E55 L56 K57 | F11-I32 HydrophobicContact CB-CD1 3.93Å; V13-I32 HydrophobicContact CG2-CD1 4.41Å; V13-I32 HydrophobicContact CG2-CG1 4.1Å; I32-L54 HydrophobicContact CD1-CD1 3.84Å; I32-L54 HydrophobicContact CG1-CD1 4.21Å; I32-L54 HydrophobicContact CG2-CD2 4.32Å; I32-E55 WeakPolarHBondContact CA-O 3.23Å; I32-L56 HydrophobicContact CG1-CD2 4.24Å; I32-K57 WeakPolarHBondContact O-CE 3.47Å |
| 33 | E | 83.5 | Confident | 80.2 | Confident | 120 Ų | 120 | 74.2 Ų | 74.2 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -65.4 | 173.6 | -167.3 | 162.5 | -168.7 | 0 | 0 | 110.9 | E55 K57 | E33-E55 PolarHBondContact N-O 2.88Å; E33-K57 HydrophobicContact CB-CB 4.44Å; E33-K57 HydrophobicContact CB-CG 3.61Å; E33-K57 HydrophobicContact CG-CG 4.04Å; E33-K57 WeakPolarHBondContact OE2-CA 3.07Å |
| 34 | T | 82.4 | Confident | 80.3 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 157 | 177.8 | 88.7 | 0 | 0 | 0 | 0 | 111.7 | E55 | T34-E55 WeakPolarHBondContact CB-OE2 3.41Å; T34-E55 WeakPolarHBondContact CG2-OE2 3.46Å; T34-E55 PolarHBondContact O-N 2.77Å; T34-E55 WeakPolarHBondContact OG1-CB 3.17Å; T34-E55 PolarHBondContact OG1-OE2 3.19Å |
| 35 | K | 80.6 | Confident | 80.5 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 27% | 0.265 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 94.7 | -173.8 | 51.3 | -161.9 | 170.2 | -171.5 | 0 | 109.8 | M5 L8 D9 L54 | M5-K35 HydrophobicContact CE-CD 4.42Å; M5-K35 HydrophobicContact CE-CG 4.32Å; M5-K35 PolarHBondContact O-NZ 3.17Å; L8-K35 HydrophobicContact CB-CD 4.19Å; L8-K35 HydrophobicContact CD1-CD 4.05Å; D9-K35 IonicContact OD1-NZ 2.6Å; D9-K35 PolarHBondContact OD1-NZ 3.24Å; D9-K35 IonicContact OD2-NZ 3.54Å; K35-L54 HydrophobicContact CB-CD2 4.04Å |
| 36 | S | 80.7 | Confident | 80.4 | Confident | 22 Ų | 22 | 80.5 Ų | 80.5 | 15% | 0.154 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135 | 178.3 | -70.5 | 0 | 0 | 0 | 0 | 110.8 | A52 V53 K186 | S36-A52 CarbonylContact O-C 3.56Å; S36-A52 VanDerWaalsContact O-CA 3.23Å; S36-A52 WeakPolarHBondContact O-CA 3.29Å; S36-A52 WeakPolarHBondContact O-CB 3.42Å; S36-V53 PolarHBondContact N-O 3.35Å; S36-V53 PolarHBondContact O-N 2.99Å; S36-K186 PolarHBondContact OG-NZ 2.96Å; S36-K186 VanDerWaalsContact OG-NZ 3.14Å |
| 37 | V | 81.7 | Confident | 80.6 | Confident | 80 Ų | 80 | 72.6 Ų | 72.6 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114.9 | 177.6 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | A52 | V37-A52 HydrophobicContact CG2-CB 4.07Å |
| 38 | Y | 82.2 | Confident | 80.7 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 17% | 0.165 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 103.4 | 177.4 | -58.3 | -75 | 0 | 0 | 0 | 108.8 | G50 V51 V53 M179 I182 K186 | Y38-G50 CarbonylContact O-C 3.56Å; Y38-G50 WeakPolarHBondContact O-CA 3.23Å; Y38-V51 PolarHBondContact N-O 2.87Å; Y38-V51 PolarHBondContact O-N 3.23Å; Y38-V53 HydrophobicContact CD2-CB 4.47Å; Y38-V53 HydrophobicContact CD2-CG2 4.15Å; Y38-V53 HydrophobicContact CE2-CB 3.88Å; Y38-V53 HydrophobicContact CE2-CG2 3.74Å; Y38-M179 HydrophobicContact CD2-CE 3.37Å; Y38-M179 HydrophobicContact CE2-CE 4.22Å; Y38-M179 HydrophobicContact CG-CE 3.73Å; Y38-I182 HydrophobicContact CD1-CG2 4.22Å; Y38-I182 HydrophobicContact CE1-CG2 3.51Å; Y38-K186 WeakPolarHBondContact OH-CD 3.5Å; Y38-K186 WeakPolarHBondContact OH-CE 3.43Å |
| 39 | R | 82.3 | Confident | 80.1 | Confident | 184 Ų | 184 | 73.5 Ų | 73.5 | 69% | 0.694 | 36% | 0.364 | S | S | * | . | trans | -72.6 | 150.2 | 176.3 | -68.4 | 176.6 | 178.3 | -91 | 1.8 | 110.2 | K48 | R39-K48 WeakPolarHBondContact CA-O 3.35Å; R39-K48 VanDerWaalsContact CB-O 3.26Å; R39-K48 WeakPolarHBondContact CB-O 3.22Å; R39-K48 WeakPolarHBondContact CG-O 3.49Å | ||
| 40 | Q | 77.9 | Confident | 79.9 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 16% | 0.159 | 35% | 0.351 | C | S | . | . | trans | -81.8 | 141.4 | 162.7 | -76 | -169.2 | -15.4 | 0 | 0 | 110.1 | H42 I47 K48 N120 Y172 N174 | Q40-H42 VanDerWaalsContact C-N 3.32Å; Q40-I47 VanDerWaalsContact OE1-CG2 3.24Å; Q40-K48 PolarHBondContact N-O 2.82Å; Q40-N120 PolarHBondContact NE2-O 3.09Å; Q40-Y172 PolarHBondContact OE1-OH 2.86Å; Q40-N174 PolarHBondContact NE2-ND2 2.92Å; Q40-N174 PolarHBondContact OE1-ND2 3.07Å | ||
| 41 | L | 75 | Confident | 79.9 | Confident | 147 Ų | 147 | 71.5 Ų | 71.5 | 77% | 0.77 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -68.2 | -34.7 | 179.5 | -56.6 | 178 | 0 | 0 | 0 | 111.6 | K48 | L41-K48 VanDerWaalsContact O-CE 3.23Å; L41-K48 WeakPolarHBondContact O-CE 3.4Å |
| 42 | H | 79.5 | Confident | 79.8 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -114.5 | 163.1 | -171.4 | -56.6 | -60.6 | 0 | 0 | 0 | 113.1 | Q40 K48 A118 | Q40-H42 VanDerWaalsContact C-N 3.32Å; H42-K48 WeakPolarHBondContact O-CG 3.38Å; H42-A118 HydrophobicContact CB-CB 3.97Å; H42-A118 WeakPolarHBondContact CB-O 2.9Å |
| 43 | G | 78.7 | Confident | 79.8 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 93.5 | -169.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | K48 L116 | G43-K48 WeakPolarHBondContact O-CD 3.22Å; G43-K48 WeakPolarHBondContact O-CE 3.36Å; G43-K48 WeakPolarHBondContact O-CG 3.48Å; G43-K48 PolarHBondContact O-NZ 2.85Å; G43-L116 WeakPolarHBondContact CA-O 3.23Å |
| 44 | T | 77.1 | Confident | 79.9 | Confident | 59 Ų | 59 | 61.7 Ų | 61.7 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | trans | -77.1 | 159.4 | -176.3 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | K46 I47 K48 E115 | T44-K46 PolarHBondContact O-N 3.31Å; T44-K46 VanDerWaalsContact O-N 3.16Å; T44-I47 PolarHBondContact O-N 2.6Å; T44-K48 PolarHBondContact O-N 2.96Å; T44-E115 WeakPolarHBondContact CG2-O 3.4Å; T44-E115 PolarHBondContact OG1-O 2.8Å | ||
| 45 | E | 77.1 | Confident | 79.9 | Confident | 174 Ų | 174 | 62.2 Ų | 62.2 | 81% | 0.813 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -54.4 | -38.7 | -174.9 | -66.6 | -156.2 | 124.4 | 0 | 0 | 113.8 | I47 V49 | E45-I47 PolarHBondContact O-N 3.33Å; E45-I47 VanDerWaalsContact O-N 3.13Å; E45-V49 WeakPolarHBondContact O-CG2 3.3Å |
| 46 | K | 72.4 | Confident | 80.1 | Confident | 133 Ų | 133 | 59.9 Ų | 59.9 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -54.7 | -30.1 | 177.3 | -62.6 | 175 | -175 | 168.8 | 0 | 112.5 | T44 | T44-K46 PolarHBondContact O-N 3.31Å; T44-K46 VanDerWaalsContact O-N 3.16Å |
| 47 | I | 77.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -106 | -37.6 | -170.3 | -69.6 | 174.6 | 0 | 0 | 0 | 111.5 | Q40 T44 E45 V49 G50 L116 A119 T155 Y172 N174 | Q40-I47 VanDerWaalsContact OE1-CG2 3.24Å; T44-I47 PolarHBondContact O-N 2.6Å; E45-I47 PolarHBondContact O-N 3.33Å; E45-I47 VanDerWaalsContact O-N 3.13Å; I47-V49 PolarHBondContact O-N 3.26Å; I47-G50 PolarHBondContact O-N 2.62Å; I47-L116 HydrophobicContact CD1-CD2 3.27Å; I47-A119 HydrophobicContact CG2-CB 3.75Å; I47-T155 HydrophobicContact CD1-CG2 4.24Å; I47-T155 HydrophobicContact CG1-CG2 3.95Å; I47-Y172 HydrophobicContact CB-CE1 4.39Å; I47-Y172 HydrophobicContact CD1-CD1 4.07Å; I47-Y172 HydrophobicContact CD1-CE1 4.16Å; I47-Y172 HydrophobicContact CD1-CG 4.26Å; I47-Y172 HydrophobicContact CG1-CD1 4.02Å; I47-Y172 HydrophobicContact CG1-CE1 4.08Å; I47-Y172 HydrophobicContact CG2-CD1 4.35Å; I47-Y172 HydrophobicContact CG2-CE1 3.55Å; I47-N174 PolarHBondContact O-ND2 3.05Å |
| 48 | K | 80.6 | Confident | 80.4 | Confident | 84 Ų | 84 | 65.8 Ų | 65.8 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.8 | -19.3 | 173.7 | -81.1 | -177 | 163.5 | 161.6 | 0 | 114.3 | R39 Q40 L41 H42 G43 T44 G50 | R39-K48 WeakPolarHBondContact CA-O 3.35Å; R39-K48 VanDerWaalsContact CB-O 3.26Å; R39-K48 WeakPolarHBondContact CB-O 3.22Å; R39-K48 WeakPolarHBondContact CG-O 3.49Å; Q40-K48 PolarHBondContact N-O 2.82Å; L41-K48 VanDerWaalsContact O-CE 3.23Å; L41-K48 WeakPolarHBondContact O-CE 3.4Å; H42-K48 WeakPolarHBondContact O-CG 3.38Å; G43-K48 WeakPolarHBondContact O-CD 3.22Å; G43-K48 WeakPolarHBondContact O-CE 3.36Å; G43-K48 WeakPolarHBondContact O-CG 3.48Å; G43-K48 PolarHBondContact O-NZ 2.85Å; T44-K48 PolarHBondContact O-N 2.96Å; K48-G50 PolarHBondContact O-N 3.14Å |
| 49 | V | 72.7 | Confident | 80.5 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.9 | 170 | -150.8 | 0 | 0 | 0 | 0 | 111.5 | E45 I47 R295 | E45-V49 WeakPolarHBondContact O-CG2 3.3Å; I47-V49 PolarHBondContact O-N 3.26Å; V49-R295 VanDerWaalsContact CG1-NH2 3.3Å; V49-R295 PolarHBondContact O-NH1 3.19Å; V49-R295 PolarHBondContact O-NH2 3.25Å |
| 50 | G | 82.3 | Confident | 80.5 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | trans | 66 | -142 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y38 I47 K48 R295 | Y38-G50 CarbonylContact O-C 3.56Å; Y38-G50 WeakPolarHBondContact O-CA 3.23Å; I47-G50 PolarHBondContact O-N 2.62Å; K48-G50 PolarHBondContact O-N 3.14Å; G50-R295 VanDerWaalsContact C-NH1 3.29Å; G50-R295 PolarHBondContact O-NH1 3.49Å; G50-R295 PolarHBondContact O-NH2 3.42Å | ||
| 51 | V | 85.6 | Confident | 80.6 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 155.7 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | Y38 V152 N174 L176 M179 R295 | Y38-V51 PolarHBondContact N-O 2.87Å; Y38-V51 PolarHBondContact O-N 3.23Å; V51-V152 HydrophobicContact CG1-CG2 4.07Å; V51-V152 HydrophobicContact CG2-CB 4.26Å; V51-V152 HydrophobicContact CG2-CG2 4.29Å; V51-N174 HydrophobicContact CG2-CB 3.71Å; V51-L176 HydrophobicContact CG1-CD2 4.08Å; V51-L176 HydrophobicContact CG2-CD2 4.13Å; V51-M179 HydrophobicContact CB-CE 3.81Å; V51-M179 HydrophobicContact CB-SD 3.69Å; V51-M179 HydrophobicContact CG1-CE 3.83Å; V51-M179 HydrophobicContact CG1-SD 4.19Å; V51-M179 HydrophobicContact CG2-CE 4.49Å; V51-M179 HydrophobicContact CG2-SD 3.78Å; V51-R295 PolarHBondContact O-NH1 3.31Å; V51-R295 VanDerWaalsContact O-NH1 3.14Å |
| 52 | A | 83.2 | Confident | 81 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S36 V37 R295 L297 | S36-A52 CarbonylContact O-C 3.56Å; S36-A52 VanDerWaalsContact O-CA 3.23Å; S36-A52 WeakPolarHBondContact O-CA 3.29Å; S36-A52 WeakPolarHBondContact O-CB 3.42Å; V37-A52 HydrophobicContact CG2-CB 4.07Å; A52-R295 HydrophobicContact CB-CB 3.87Å; A52-R295 HydrophobicContact CB-CG 4.11Å; A52-L297 PolarHBondContact O-N 3.42Å |
| 53 | V | 83.5 | Confident | 81.1 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.7 | 175.6 | 152.7 | 0 | 0 | 0 | 0 | 107.5 | S36 Y38 I183 L297 I299 | S36-V53 PolarHBondContact N-O 3.35Å; S36-V53 PolarHBondContact O-N 2.99Å; Y38-V53 HydrophobicContact CD2-CB 4.47Å; Y38-V53 HydrophobicContact CD2-CG2 4.15Å; Y38-V53 HydrophobicContact CE2-CB 3.88Å; Y38-V53 HydrophobicContact CE2-CG2 3.74Å; V53-I183 HydrophobicContact CG2-CD1 4.21Å; V53-I183 HydrophobicContact CG2-CG1 4.33Å; V53-L297 WeakPolarHBondContact CA-O 3.3Å; V53-L297 HydrophobicContact CG2-CD2 4.34Å; V53-I299 HydrophobicContact CB-CD1 4.17Å; V53-I299 HydrophobicContact CG1-CD1 3.35Å; V53-I299 HydrophobicContact CG1-CG1 3.79Å; V53-I299 HydrophobicContact CG2-CD1 3.74Å; V53-I299 HydrophobicContact CG2-CG1 4.27Å |
| 54 | L | 83.7 | Confident | 81.1 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.2 | 172.7 | -56.5 | -174.9 | 0 | 0 | 0 | 109.6 | V13 I32 K35 V296 L297 I299 | V13-L54 HydrophobicContact CG2-CD1 4.09Å; I32-L54 HydrophobicContact CD1-CD1 3.84Å; I32-L54 HydrophobicContact CG1-CD1 4.21Å; I32-L54 HydrophobicContact CG2-CD2 4.32Å; K35-L54 HydrophobicContact CB-CD2 4.04Å; L54-V296 HydrophobicContact CD1-CB 4.46Å; L54-V296 HydrophobicContact CD1-CG1 4.14Å; L54-V296 HydrophobicContact CD1-CG2 4.07Å; L54-L297 PolarHBondContact N-O 3.38Å; L54-I299 PolarHBondContact O-N 3.46Å |
| 55 | E | 82.8 | Confident | 81.2 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 145.8 | 168.4 | -171.3 | 162.7 | -139 | 0 | 0 | 108.1 | I32 E33 T34 | I32-E55 WeakPolarHBondContact CA-O 3.23Å; E33-E55 PolarHBondContact N-O 2.88Å; T34-E55 WeakPolarHBondContact CB-OE2 3.41Å; T34-E55 WeakPolarHBondContact CG2-OE2 3.46Å; T34-E55 PolarHBondContact O-N 2.77Å; T34-E55 WeakPolarHBondContact OG1-CB 3.17Å; T34-E55 PolarHBondContact OG1-OE2 3.19Å |
| 56 | L | 84.8 | Confident | 81.5 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.3 | -174 | -63.9 | 179.9 | 0 | 0 | 0 | 110.8 | V13 Y30 Q31 I32 Q58 I60 I298 F300 | V13-L56 HydrophobicContact CB-CD2 4.03Å; V13-L56 HydrophobicContact CG1-CD1 4.37Å; V13-L56 HydrophobicContact CG2-CD2 3.97Å; Y30-L56 HydrophobicContact CD1-CD1 4.33Å; Y30-L56 HydrophobicContact CG-CD1 4.11Å; Q31-L56 WeakPolarHBondContact O-CA 3.24Å; I32-L56 HydrophobicContact CG1-CD2 4.24Å; L56-Q58 PolarHBondContact O-N 3.41Å; L56-I60 HydrophobicContact CD1-CD1 4.09Å; L56-I60 HydrophobicContact CD1-CG1 4.46Å; L56-I298 HydrophobicContact CD1-CG2 3.62Å; L56-I298 HydrophobicContact CG-CG2 3.8Å; L56-F300 HydrophobicContact CD1-CE1 3.86Å; L56-F300 HydrophobicContact CD1-CZ 3.9Å |
| 57 | K | 85.4 | Confident | 82 | Confident | 138 Ų | 138 | 58 Ų | 58 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -60.7 | -4.8 | -176.9 | -62.6 | -169.5 | -179.2 | -165 | 0 | 115.4 | Q31 I32 E33 | Q31-K57 HydrophobicContact CB-CB 4.42Å; Q31-K57 HydrophobicContact CB-CD 4.01Å; Q31-K57 HydrophobicContact CB-CG 4.24Å; Q31-K57 PolarHBondContact O-N 3.44Å; I32-K57 WeakPolarHBondContact O-CE 3.47Å; E33-K57 HydrophobicContact CB-CB 4.44Å; E33-K57 HydrophobicContact CB-CG 3.61Å; E33-K57 HydrophobicContact CG-CG 4.04Å; E33-K57 WeakPolarHBondContact OE2-CA 3.07Å |
| 58 | Q | 84.2 | Confident | 82.4 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 41% | 0.407 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -152.9 | 141.6 | 178.7 | 68.1 | -174.6 | 0.2 | 0 | 0 | 109.1 | Y30 L56 | Y30-Q58 HydrophobicContact CD1-CG 3.42Å; Y30-Q58 VanDerWaalsContact CD1-CG 3.42Å; Y30-Q58 HydrophobicContact CE1-CG 3.65Å; Y30-Q58 VanDerWaalsContact CE1-NE2 3.27Å; L56-Q58 PolarHBondContact O-N 3.41Å |
| 59 | S | 83.7 | Confident | 82.7 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 51% | 0.51 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 145.1 | 173.8 | -45.4 | 0 | 0 | 0 | 0 | 111.8 | P301 | S59-P301 VanDerWaalsContact OG-CG 3.24Å; S59-P301 WeakPolarHBondContact OG-CG 3.48Å |
| 60 | I | 82.7 | Confident | 83.5 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 132.2 | 164.8 | -74.4 | -174.5 | 0 | 0 | 0 | 109.5 | V15 Y30 L56 F62 V66 I286 F300 | V15-I60 HydrophobicContact CB-CD1 3.82Å; V15-I60 HydrophobicContact CG1-CD1 3.82Å; V15-I60 HydrophobicContact CG2-CD1 3.44Å; V15-I60 VanDerWaalsContact CG2-CD1 3.44Å; Y30-I60 HydrophobicContact CD1-CD1 4.3Å; Y30-I60 HydrophobicContact CD1-CG1 3.75Å; Y30-I60 HydrophobicContact CD2-CD1 3.96Å; Y30-I60 HydrophobicContact CD2-CG1 4.15Å; Y30-I60 HydrophobicContact CE1-CB 4.44Å; Y30-I60 HydrophobicContact CE1-CD1 4.28Å; Y30-I60 HydrophobicContact CE1-CG1 3.42Å; Y30-I60 VanDerWaalsContact CE1-CG1 3.42Å; Y30-I60 HydrophobicContact CE2-CD1 3.88Å; Y30-I60 HydrophobicContact CE2-CG1 3.8Å; Y30-I60 HydrophobicContact CG-CD1 4.21Å; Y30-I60 HydrophobicContact CG-CG1 4.15Å; Y30-I60 VanDerWaalsContact CZ-CG1 3.46Å; L56-I60 HydrophobicContact CD1-CD1 4.09Å; L56-I60 HydrophobicContact CD1-CG1 4.46Å; I60-F62 HydrophobicContact CG2-CD1 4.33Å; I60-V66 HydrophobicContact CG2-CG1 3.37Å; I60-I286 HydrophobicContact CB-CD1 4.18Å; I60-I286 HydrophobicContact CD1-CD1 4.16Å; I60-I286 HydrophobicContact CG2-CD1 3.64Å; I60-F300 HydrophobicContact CB-CD1 3.76Å; I60-F300 HydrophobicContact CB-CE1 3.46Å; I60-F300 VanDerWaalsContact CB-CE1 3.46Å; I60-F300 HydrophobicContact CB-CZ 4.18Å; I60-F300 HydrophobicContact CD1-CE1 3.41Å; I60-F300 VanDerWaalsContact CD1-CE1 3.41Å; I60-F300 HydrophobicContact CD1-CZ 3.4Å; I60-F300 VanDerWaalsContact CD1-CZ 3.4Å; I60-F300 HydrophobicContact CG1-CD1 4.13Å; I60-F300 HydrophobicContact CG1-CE1 3.33Å; I60-F300 HydrophobicContact CG1-CZ 3.91Å |
| 61 | V | 80.2 | Confident | 83.7 | Confident | 107 Ų | 107 | 53.1 Ų | 53.1 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 123.4 | 166.5 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | ||
| 62 | F | 83.1 | Confident | 84 | Confident | 111 Ų | 111 | 53 Ų | 53 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 145.4 | 175.1 | -56.5 | -25.7 | 0 | 0 | 0 | 110.9 | I60 V66 P68 I286 F300 | I60-F62 HydrophobicContact CG2-CD1 4.33Å; F62-V66 CarbonylContact C-O 3.43Å; F62-V66 VanDerWaalsContact CA-O 3.22Å; F62-V66 WeakPolarHBondContact CA-O 3.26Å; F62-V66 WeakPolarHBondContact CB-O 3.39Å; F62-P68 HydrophobicContact CE1-CG 4.33Å; F62-P68 HydrophobicContact CE2-CG 4.08Å; F62-P68 HydrophobicContact CZ-CG 3.98Å; F62-I286 HydrophobicContact CD1-CD1 4.12Å; F62-I286 HydrophobicContact CE1-CD1 3.91Å; F62-F300 HydrophobicContact CE1-CG 4.43Å |
| 63 | T | 81 | Confident | 84.3 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 37% | 0.368 | 29% | 0.291 | S | S | . | . | trans | -138.5 | -165 | -180 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | K65 V66 R67 | T63-K65 PolarHBondContact OG1-N 3.17Å; T63-K65 VanDerWaalsContact OG1-N 3.16Å; T63-V66 PolarHBondContact N-O 3.23Å; T63-V66 WeakPolarHBondContact OG1-CB 3.33Å; T63-V66 PolarHBondContact OG1-N 3.26Å; T63-R67 WeakPolarHBondContact O-CG 3.44Å; T63-R67 PolarHBondContact O-NE 3.48Å | ||
| 64 | D | 79.4 | Confident | 84.5 | Confident | 112 Ų | 112 | 67 Ų | 67 | 60% | 0.599 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -66.3 | -44.5 | 163.8 | 68.5 | -47.6 | 0 | 0 | 0 | 111.6 | ||
| 65 | K | 79.2 | Confident | 84.7 | Confident | 108 Ų | 108 | 71.9 Ų | 71.9 | 47% | 0.47 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -79.6 | -23.6 | 179.2 | -54.7 | -52.6 | -178.7 | 178.4 | 0 | 114.1 | T63 | T63-K65 PolarHBondContact OG1-N 3.17Å; T63-K65 VanDerWaalsContact OG1-N 3.16Å |
| 66 | V | 83.5 | Confident | 85 | Confident | 16 Ų | 16 | 71 Ų | 71 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | trans | -118.3 | 89 | -173.7 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | V15 G16 I60 F62 T63 I286 | V15-V66 HydrophobicContact CG1-CG1 3.74Å; V15-V66 HydrophobicContact CG1-CG2 4.28Å; G16-V66 VanDerWaalsContact CA-CG2 3.46Å; I60-V66 HydrophobicContact CG2-CG1 3.37Å; F62-V66 CarbonylContact C-O 3.43Å; F62-V66 VanDerWaalsContact CA-O 3.22Å; F62-V66 WeakPolarHBondContact CA-O 3.26Å; F62-V66 WeakPolarHBondContact CB-O 3.39Å; T63-V66 PolarHBondContact N-O 3.23Å; T63-V66 WeakPolarHBondContact OG1-CB 3.33Å; T63-V66 PolarHBondContact OG1-N 3.26Å; V66-I286 HydrophobicContact CG1-CD1 3.73Å | ||
| 67 | R | 83.4 | Confident | 85.2 | Confident | 133 Ų | 133 | 79 Ų | 79 | 50% | 0.502 | 38% | 0.376 | S | S | . | . | trans | -127.1 | 148.7 | 178.2 | -66.3 | -169.4 | 173.9 | -156.4 | -0.1 | 112 | T63 L355 | T63-R67 WeakPolarHBondContact O-CG 3.44Å; T63-R67 PolarHBondContact O-NE 3.48Å; R67-L355 HydrophobicContact CB-CD1 4.16Å; R67-L355 HydrophobicContact CB-CD2 3.71Å; R67-L355 HydrophobicContact CB-CG 3.67Å; R67-L355 HydrophobicContact CG-CD2 4.36Å | ||
| 68 | P | 85.3 | Confident | 85.4 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 5% | 0.045 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 145.8 | 178.8 | 36.8 | -37.4 | 0 | 0 | 0 | 113.2 | F62 C284 F285 I286 C354 L355 | F62-P68 HydrophobicContact CE1-CG 4.33Å; F62-P68 HydrophobicContact CE2-CG 4.08Å; F62-P68 HydrophobicContact CZ-CG 3.98Å; P68-C284 HydrophobicContact CB-CB 3.41Å; P68-C284 VanDerWaalsContact CB-CB 3.41Å; P68-C284 HydrophobicContact CG-CB 3.42Å; P68-C284 VanDerWaalsContact CG-CB 3.42Å; P68-F285 CarbonylContact C-O 3.56Å; P68-F285 WeakPolarHBondContact CA-O 3.34Å; P68-F285 WeakPolarHBondContact CB-O 3.36Å; P68-I286 HydrophobicContact CB-CG1 4.01Å; P68-C354 CarbonylContact O-C 3.53Å; P68-C354 WeakPolarHBondContact O-CA 3.49Å; P68-L355 PolarHBondContact O-N 3.2Å |
| 69 | I | 86.4 | Confident | 85.6 | Confident | 7 Ų | 7 | 71.2 Ų | 71.2 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 153.6 | 173.4 | -163.4 | 162.8 | 0 | 0 | 0 | 111.4 | I140 L147 Q149 C284 F285 | I69-I140 HydrophobicContact CD1-CB 3.99Å; I69-I140 HydrophobicContact CD1-CD1 3.61Å; I69-I140 HydrophobicContact CD1-CG1 3.48Å; I69-I140 VanDerWaalsContact CD1-CG1 3.48Å; I69-I140 HydrophobicContact CD1-CG2 3.56Å; I69-L147 HydrophobicContact CD1-CB 4.06Å; I69-L147 HydrophobicContact CG1-CB 3.98Å; I69-L147 WeakPolarHBondContact CG1-O 3.39Å; I69-Q149 HydrophobicContact CD1-CB 3.97Å; I69-Q149 HydrophobicContact CG1-CB 4.35Å; I69-Q149 HydrophobicContact CG2-CB 3.82Å; I69-C284 CarbonylContact O-C 3.46Å; I69-C284 WeakPolarHBondContact O-CA 3.5Å; I69-C284 WeakPolarHBondContact O-CB 3.34Å; I69-F285 HydrophobicContact CG2-CB 4.42Å; I69-F285 WeakPolarHBondContact CG2-O 3.25Å; I69-F285 PolarHBondContact N-O 3.45Å; I69-F285 PolarHBondContact O-N 2.6Å |
| 70 | C | 90.2 | Very high | 85.5 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 8% | 0.081 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 144.6 | 172.4 | -45.4 | 0 | 0 | 0 | 0 | 110.9 | L147 V148 Q149 C354 | C70-L147 WeakPolarHBondContact CB-O 3.16Å; C70-L147 PolarHBondContact N-O 2.96Å; C70-L147 PolarHBondContact SG-O 3.01Å; C70-V148 HydrophobicContact CB-CB 4.28Å; C70-V148 HydrophobicContact CB-CG1 4.25Å; C70-V148 HydrophobicContact CB-CG2 3.96Å; C70-V148 WeakPolarHBondContact O-CA 3.2Å; C70-Q149 PolarHBondContact O-N 2.76Å; C70-C354 HydrophobicContact CB-CB 4.35Å; C70-C354 WeakPolarHBondContact SG-CB 3.47Å |
| 71 | M | 87.2 | Confident | 85.4 | Confident | 19 Ų | 19 | 80.2 Ų | 80.2 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 150.9 | 150.7 | -85.9 | -81.5 | -73 | 0 | 0 | 110.3 | L176 I183 I283 F285 | M71-L176 HydrophobicContact CE-CB 3.93Å; M71-L176 HydrophobicContact SD-CB 3.96Å; M71-L176 HydrophobicContact SD-CD1 3.87Å; M71-L176 HydrophobicContact SD-CG 4.36Å; M71-I183 HydrophobicContact CE-CD1 3.75Å; M71-I283 PolarHBondContact N-O 2.68Å; M71-F285 HydrophobicContact CB-CD2 3.85Å; M71-F285 HydrophobicContact CB-CE2 3.67Å; M71-F285 HydrophobicContact CG-CD1 4.43Å; M71-F285 HydrophobicContact CG-CD2 3.12Å; M71-F285 HydrophobicContact CG-CE1 4.45Å; M71-F285 HydrophobicContact CG-CE2 3.18Å; M71-F285 HydrophobicContact CG-CG 3.84Å; M71-F285 HydrophobicContact CG-CZ 3.9Å |
| 72 | P | 90.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 153.7 | 172.8 | 30.1 | -37 | 0 | 0 | 0 | 111.2 | Q76 V148 Q149 F150 T177 T180 | P72-Q76 HydrophobicContact CB-CB 4.09Å; P72-V148 HydrophobicContact CB-CG1 3.9Å; P72-Q149 WeakPolarHBondContact CD-O 3.27Å; P72-F150 HydrophobicContact CB-CD1 3.87Å; P72-F150 HydrophobicContact CB-CE1 3.78Å; P72-F150 HydrophobicContact CB-CZ 4.46Å; P72-F150 HydrophobicContact CG-CD1 4.25Å; P72-T177 HydrophobicContact CB-CG2 3.91Å; P72-T177 HydrophobicContact CG-CG2 3.74Å; P72-T180 VanDerWaalsContact O-CG2 3.25Å; P72-T180 WeakPolarHBondContact O-CG2 3.36Å; P72-T180 PolarHBondContact O-OG1 3.2Å |
| 73 | K | 89.7 | Confident | 85.9 | Confident | 138 Ų | 138 | 75.5 Ų | 75.5 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 157.2 | 166.4 | -58.7 | -177.4 | 179 | -175.8 | 0 | 109.8 | L75 Q76 | K73-L75 PolarHBondContact O-N 3.17Å; K73-Q76 HydrophobicContact CB-CB 4.12Å; K73-Q76 WeakPolarHBondContact O-CB 3.4Å; K73-Q76 PolarHBondContact O-N 3.34Å |
| 74 | R | 88.9 | Confident | 86.5 | Confident | 172 Ų | 172 | 72.7 Ų | 72.7 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 129.9 | 177.1 | -175.9 | 177.2 | 176.7 | -160.8 | -1.9 | 109.9 | Q76 T177 | R74-Q76 PolarHBondContact O-N 2.99Å; R74-T177 WeakPolarHBondContact CA-O 3.24Å |
| 75 | L | 87.1 | Confident | 87.1 | Confident | 117 Ų | 117 | 70 Ų | 70 | 61% | 0.613 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 18.6 | -175.4 | -61.5 | 168.2 | 0 | 0 | 0 | 115.6 | K73 K77 L178 | K73-L75 PolarHBondContact O-N 3.17Å; L75-K77 PolarHBondContact O-N 3.41Å; L75-L178 HydrophobicContact CD2-CD2 3.61Å; L75-L178 HydrophobicContact CG-CD2 4.41Å |
| 76 | Q | 89.8 | Confident | 87.7 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 118.8 | 176.9 | -175.7 | 178.6 | -11.9 | 0 | 0 | 111 | P72 K73 R74 F150 T177 | P72-Q76 HydrophobicContact CB-CB 4.09Å; K73-Q76 HydrophobicContact CB-CB 4.12Å; K73-Q76 WeakPolarHBondContact O-CB 3.4Å; K73-Q76 PolarHBondContact O-N 3.34Å; R74-Q76 PolarHBondContact O-N 2.99Å; Q76-F150 HydrophobicContact CB-CE1 4.32Å; Q76-F150 HydrophobicContact CG-CE1 3.99Å; Q76-F150 HydrophobicContact CG-CZ 4.28Å; Q76-F150 WeakPolarHBondContact O-CE1 3.13Å; Q76-T177 VanDerWaalsContact O-CG2 3.25Å; Q76-T177 WeakPolarHBondContact O-CG2 3.43Å |
| 77 | K | 88.7 | Confident | 87.9 | Confident | 181 Ų | 181 | 65 Ų | 65 | 79% | 0.787 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -70 | 148.1 | 169.4 | -63.7 | 178.6 | -177.8 | 175.2 | 0 | 110.1 | L75 | L75-K77 PolarHBondContact O-N 3.41Š|
| 78 | I | 90 | Very high | 88 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 136.9 | 165.8 | -52.8 | -179.8 | 0 | 0 | 0 | 107 | P82 V103 Y122 C141 F150 | I78-P82 HydrophobicContact CG2-CB 3.44Å; I78-P82 VanDerWaalsContact CG2-CB 3.44Å; I78-P82 HydrophobicContact CG2-CG 3.49Å; I78-P82 VanDerWaalsContact CG2-CG 3.49Å; I78-V103 HydrophobicContact CD1-CG1 4.33Å; I78-V103 HydrophobicContact CD1-CG2 4.15Å; I78-Y122 HydrophobicContact CD1-CD1 3.41Å; I78-Y122 VanDerWaalsContact CD1-CD1 3.41Å; I78-Y122 HydrophobicContact CD1-CE1 3.39Å; I78-Y122 HydrophobicContact CD1-CG 4.03Å; I78-Y122 HydrophobicContact CG1-CD1 4.17Å; I78-Y122 HydrophobicContact CG1-CE1 3.61Å; I78-C141 HydrophobicContact CG2-CB 4.26Å; I78-F150 HydrophobicContact CB-CZ 4.45Å; I78-F150 HydrophobicContact CD1-CB 3.93Å; I78-F150 HydrophobicContact CD1-CD1 4.34Å; I78-F150 HydrophobicContact CD1-CD2 4.23Å; I78-F150 HydrophobicContact CD1-CG 3.92Å; I78-F150 HydrophobicContact CG1-CB 4.09Å; I78-F150 HydrophobicContact CG1-CD1 3.55Å; I78-F150 HydrophobicContact CG1-CD2 3.83Å; I78-F150 HydrophobicContact CG1-CE1 3.82Å; I78-F150 HydrophobicContact CG1-CE2 4.07Å; I78-F150 HydrophobicContact CG1-CG 3.55Å; I78-F150 HydrophobicContact CG1-CZ 4.06Å; I78-F150 HydrophobicContact CG2-CE2 4.38Å |
| 79 | P | 87.3 | Confident | 87.9 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 164.3 | 175.1 | -24 | 34.1 | 0 | 0 | 0 | 113.3 | P82 V143 | P79-P82 WeakPolarHBondContact O-CB 3.28Å; P79-P82 VanDerWaalsContact O-CD 3.25Å; P79-P82 WeakPolarHBondContact O-CD 3.21Å; P79-P82 WeakPolarHBondContact O-CG 3.37Å; P79-V143 HydrophobicContact CG-CB 4.49Å; P79-V143 HydrophobicContact CG-CG1 3.95Å; P79-V143 HydrophobicContact CG-CG2 4.06Å |
| 80 | D | 82.8 | Confident | 87.7 | Confident | 114 Ų | 114 | 58.5 Ų | 58.5 | 61% | 0.61 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -68.9 | 145.5 | 174.2 | -63.4 | -42.3 | 0 | 0 | 0 | 111.9 | H106 | D80-H106 IonicContact OD1-CE1 3.32Å; D80-H106 PolarHBondContact OD1-CE1 2.87Å; D80-H106 IonicContact OD1-CG 3.85Å; D80-H106 IonicContact OD1-ND1 2.68Å; D80-H106 PolarHBondContact OD1-ND1 3.34Å |
| 81 | N | 79.2 | Confident | 87.2 | Confident | 162 Ų | 162 | 64.5 Ų | 64.5 | 87% | 0.866 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 44.2 | 52.4 | -173.3 | -62.2 | -33.7 | 0 | 0 | 0 | 114.5 | ||
| 82 | P | 83.5 | Confident | 86.9 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 20% | 0.201 | 33% | 0.329 | C | S | . | . | trans | -78.5 | 136 | -168.9 | 34.8 | -35.4 | 0 | 0 | 0 | 111.6 | I78 P79 C84 | I78-P82 HydrophobicContact CG2-CB 3.44Å; I78-P82 VanDerWaalsContact CG2-CB 3.44Å; I78-P82 HydrophobicContact CG2-CG 3.49Å; I78-P82 VanDerWaalsContact CG2-CG 3.49Å; P79-P82 WeakPolarHBondContact O-CB 3.28Å; P79-P82 VanDerWaalsContact O-CD 3.25Å; P79-P82 WeakPolarHBondContact O-CD 3.21Å; P79-P82 WeakPolarHBondContact O-CG 3.37Å; P82-C84 PolarHBondContact O-N 2.96Å | ||
| 83 | L | 91.5 | Very high | 86.5 | Confident | 88 Ų | 88 | 74.2 Ų | 74.2 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | trans | -77.6 | 94.7 | 171.1 | -175.9 | 56.9 | 0 | 0 | 0 | 109.3 | F85 L142 | L83-F85 HydrophobicContact CD1-CE1 4.24Å; L83-F85 HydrophobicContact CD1-CE2 4.45Å; L83-F85 HydrophobicContact CD1-CZ 3.88Å; L83-F85 HydrophobicContact CD2-CE2 4.24Å; L83-F85 HydrophobicContact CD2-CZ 3.81Å; L83-F85 HydrophobicContact CG-CE1 4.39Å; L83-F85 HydrophobicContact CG-CE2 3.78Å; L83-F85 HydrophobicContact CG-CZ 3.56Å; L83-L142 PolarHBondContact O-N 2.86Å | ||
| 84 | C | 93.5 | Very high | 86 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 146.2 | -178.5 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | P82 A101 V103 L139 I140 C141 | P82-C84 PolarHBondContact O-N 2.96Å; C84-A101 PolarHBondContact O-N 2.91Å; C84-V103 HydrophobicContact CB-CG2 4.02Å; C84-V103 VanDerWaalsContact SG-CG2 3.54Å; C84-L139 HydrophobicContact CB-CD1 4.13Å; C84-I140 CarbonylContact C-O 3.56Å; C84-I140 WeakPolarHBondContact CA-O 3.46Å; C84-I140 WeakPolarHBondContact CB-O 3.3Å; C84-C141 HydrophobicContact CB-CB 4.09Å; C84-C141 WeakPolarHBondContact CB-SG 3.25Å; C84-C141 WeakPolarHBondContact SG-CB 3.47Å; C84-C141 CovalentContact SG-SG 2.04Å; C84-C141 PolarHBondContact SG-SG 3.21Å |
| 85 | F | 91.9 | Very high | 85.5 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153.2 | -177.1 | -51.9 | -85 | 0 | 0 | 0 | 111 | L83 F99 I100 I140 | L83-F85 HydrophobicContact CD1-CE1 4.24Å; L83-F85 HydrophobicContact CD1-CE2 4.45Å; L83-F85 HydrophobicContact CD1-CZ 3.88Å; L83-F85 HydrophobicContact CD2-CE2 4.24Å; L83-F85 HydrophobicContact CD2-CZ 3.81Å; L83-F85 HydrophobicContact CG-CE1 4.39Å; L83-F85 HydrophobicContact CG-CE2 3.78Å; L83-F85 HydrophobicContact CG-CZ 3.56Å; F85-F99 CarbonylContact C-O 3.23Å; F85-F99 VanDerWaalsContact CA-O 3.29Å; F85-F99 WeakPolarHBondContact CA-O 3.11Å; F85-I100 HydrophobicContact CD1-CG1 4.41Å; F85-I100 HydrophobicContact CE1-CG1 4.35Å; F85-I140 PolarHBondContact N-O 2.82Å; F85-I140 PolarHBondContact O-N 3.14Å |
| 86 | M | 90.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 96 | 168 | -176.2 | 179.7 | 50.8 | 0 | 0 | 108.9 | V88 F99 A101 I124 Y126 K134 A137 P138 Y153 | M86-V88 HydrophobicContact CE-CG1 4.07Å; M86-V88 HydrophobicContact CG-CG1 3.84Å; M86-V88 PolarHBondContact O-N 3.43Å; M86-V88 HydrophobicContact SD-CG1 4.2Å; M86-F99 HydrophobicContact CE-CD2 4.48Å; M86-F99 PolarHBondContact N-O 2.88Å; M86-F99 PolarHBondContact O-N 3.26Å; M86-A101 HydrophobicContact CB-CB 3.94Å; M86-I124 HydrophobicContact CE-CD1 4.29Å; M86-I124 HydrophobicContact SD-CD1 3.86Å; M86-Y126 HydrophobicContact CE-CD1 4.23Å; M86-Y126 HydrophobicContact CE-CG 4.23Å; M86-K134 HydrophobicContact CE-CB 4.49Å; M86-K134 HydrophobicContact CE-CD 4.24Å; M86-A137 HydrophobicContact CG-CB 3.63Å; M86-A137 HydrophobicContact SD-CB 4.02Å; M86-P138 WeakPolarHBondContact CA-O 3.22Å; M86-Y153 HydrophobicContact CE-CD2 4.33Å; M86-Y153 HydrophobicContact SD-CD2 3.54Å; M86-Y153 VanDerWaalsContact SD-CD2 3.54Å; M86-Y153 HydrophobicContact SD-CE2 4.28Å; M86-Y153 HydrophobicContact SD-CG 3.93Å |
| 87 | P | 88 | Confident | 84.7 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 121.6 | 166.4 | -22.9 | 27.9 | 0 | 0 | 0 | 111.6 | D98 A137 P138 I140 V289 | P87-D98 VanDerWaalsContact CA-OD1 3.25Å; P87-D98 WeakPolarHBondContact CA-OD1 3.17Å; P87-D98 WeakPolarHBondContact CB-OD1 3.42Å; P87-D98 VanDerWaalsContact CG-OD1 3.24Å; P87-D98 WeakPolarHBondContact CG-OD1 3.43Å; P87-A137 WeakPolarHBondContact O-CB 3.1Å; P87-P138 HydrophobicContact CB-CG 4.45Å; P87-P138 HydrophobicContact CG-CG 4.08Å; P87-I140 HydrophobicContact CG-CD1 3.58Å; P87-V289 WeakPolarHBondContact O-CG2 3.46Å |
| 88 | V | 86.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 153.2 | 179.6 | -63.7 | 0 | 0 | 0 | 0 | 112 | M86 L96 T97 F99 A132 K134 A137 | M86-V88 HydrophobicContact CE-CG1 4.07Å; M86-V88 HydrophobicContact CG-CG1 3.84Å; M86-V88 PolarHBondContact O-N 3.43Å; M86-V88 HydrophobicContact SD-CG1 4.2Å; V88-L96 WeakPolarHBondContact O-CA 3.41Å; V88-T97 WeakPolarHBondContact CG2-O 3.34Å; V88-T97 PolarHBondContact N-O 3.34Å; V88-T97 PolarHBondContact O-N 3.03Å; V88-F99 HydrophobicContact CG2-CD1 3.96Å; V88-F99 HydrophobicContact CG2-CD2 3.81Å; V88-F99 HydrophobicContact CG2-CE1 3.71Å; V88-F99 HydrophobicContact CG2-CE2 3.58Å; V88-F99 HydrophobicContact CG2-CG 3.99Å; V88-F99 HydrophobicContact CG2-CZ 3.49Å; V88-F99 VanDerWaalsContact CG2-CZ 3.49Å; V88-A132 HydrophobicContact CB-CB 3.86Å; V88-A132 HydrophobicContact CG2-CB 3.46Å; V88-A132 VanDerWaalsContact CG2-CB 3.46Å; V88-K134 HydrophobicContact CG1-CB 4.27Å; V88-K134 HydrophobicContact CG1-CG 4.18Å; V88-A137 HydrophobicContact CG1-CB 4.05Å |
| 89 | Y | 82.3 | Confident | 84.2 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.9 | -177.7 | 179.2 | -103.3 | 0 | 0 | 0 | 112.6 | F17 K91 K94 R95 L96 A132 R133 F291 | F17-Y89 HydrophobicContact CE2-CD2 4.32Å; F17-Y89 HydrophobicContact CE2-CE2 4.43Å; Y89-K91 HydrophobicContact CD1-CB 4.38Å; Y89-K91 VanDerWaalsContact CE1-CA 3.45Å; Y89-K91 HydrophobicContact CE1-CB 3.84Å; Y89-K91 HydrophobicContact CE1-CG 4.19Å; Y89-K94 WeakPolarHBondContact OH-CA 3.45Å; Y89-R95 VanDerWaalsContact CD2-O 3.31Å; Y89-R95 WeakPolarHBondContact CD2-O 3.07Å; Y89-L96 HydrophobicContact CD2-CD2 4.43Å; Y89-A132 CarbonylContact O-C 3.38Å; Y89-A132 WeakPolarHBondContact O-CA 3.29Å; Y89-R133 HydrophobicContact CD1-CG 4.49Å; Y89-R133 PolarHBondContact N-O 2.73Å; Y89-R133 PolarHBondContact O-N 2.94Å; Y89-F291 HydrophobicContact CD1-CD1 4.43Å; Y89-F291 HydrophobicContact CD1-CD2 4.44Å; Y89-F291 HydrophobicContact CD1-CE1 4.32Å; Y89-F291 HydrophobicContact CD1-CE2 4.31Å; Y89-F291 HydrophobicContact CD1-CZ 4.28Å; Y89-F291 HydrophobicContact CD2-CE2 4.37Å; Y89-F291 HydrophobicContact CD2-CZ 4.39Å; Y89-F291 AromaticContact CE1-CD1 3.72Å; Y89-F291 HydrophobicContact CE1-CD1 3.72Å; Y89-F291 HydrophobicContact CE1-CD2 4.32Å; Y89-F291 AromaticContact CE1-CE1 3.34Å; Y89-F291 HydrophobicContact CE1-CE1 3.34Å; Y89-F291 AromaticContact CE1-CE2 3.97Å; Y89-F291 HydrophobicContact CE1-CE2 3.97Å; Y89-F291 HydrophobicContact CE1-CG 4.22Å; Y89-F291 AromaticContact CE1-CZ 3.5Å; Y89-F291 HydrophobicContact CE1-CZ 3.5Å; Y89-F291 VanDerWaalsContact CE1-CZ 3.5Å; Y89-F291 HydrophobicContact CE2-CE1 4.29Å; Y89-F291 HydrophobicContact CE2-CE2 4.05Å; Y89-F291 AromaticContact CE2-CZ 3.64Å; Y89-F291 HydrophobicContact CE2-CZ 3.64Å; Y89-F291 AromaticContact CZ-CE1 3.33Å; Y89-F291 AromaticContact CZ-CE2 3.85Å; Y89-F291 AromaticContact CZ-CZ 3.14Å; Y89-F291 WeakPolarHBondContact OH-CE1 3.46Å; Y89-F291 WeakPolarHBondContact OH-CZ 3.22Å |
| 90 | Q | 83.5 | Confident | 84.2 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 105.4 | 173.7 | -76.1 | 163.6 | 26.3 | 0 | 0 | 109 | D92 K93 K94 R95 T97 I130 A132 | Q90-D92 WeakPolarHBondContact CB-OD1 3.25Å; Q90-K93 HydrophobicContact CB-CB 4.26Å; Q90-K94 WeakPolarHBondContact O-CA 3.36Å; Q90-K94 PolarHBondContact O-N 3.25Å; Q90-R95 HydrophobicContact CB-CG 4.25Å; Q90-R95 PolarHBondContact N-O 3.47Å; Q90-R95 PolarHBondContact O-N 3.11Å; Q90-R95 VanDerWaalsContact O-N 3.14Å; Q90-T97 PolarHBondContact NE2-OG1 3.18Å; Q90-T97 PolarHBondContact OE1-OG1 2.93Å; Q90-I130 HydrophobicContact CG-CG2 4.18Å; Q90-A132 HydrophobicContact CG-CB 4.11Å |
| 91 | K | 78.3 | Confident | 84.5 | Confident | 138 Ų | 138 | 59.5 Ų | 59.5 | 60% | 0.6 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -34.5 | -175.1 | -172.7 | -173 | 175.1 | -168.7 | 0 | 112.6 | Y89 | Y89-K91 HydrophobicContact CD1-CB 4.38Å; Y89-K91 VanDerWaalsContact CE1-CA 3.45Å; Y89-K91 HydrophobicContact CE1-CB 3.84Å; Y89-K91 HydrophobicContact CE1-CG 4.19Å |
| 92 | D | 82.4 | Confident | 85 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 51% | 0.508 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -51.9 | 173.7 | 58.5 | -35.2 | 0 | 0 | 0 | 111.4 | Q90 K94 | Q90-D92 WeakPolarHBondContact CB-OD1 3.25Å; D92-K94 VanDerWaalsContact C-N 3.31Å; D92-K94 PolarHBondContact O-N 3.49Å |
| 93 | K | 81.6 | Confident | 85.2 | Confident | 129 Ų | 129 | 54.3 Ų | 54.3 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.2 | -177 | -62.9 | 178.5 | -169.8 | -173.8 | 0 | 114 | Q90 R95 | Q90-K93 HydrophobicContact CB-CB 4.26Å; K93-R95 VanDerWaalsContact C-N 3.26Å; K93-R95 HydrophobicContact CB-CG 3.93Å; K93-R95 PolarHBondContact O-N 2.89Å; K93-R95 VanDerWaalsContact O-N 3.15Å |
| 94 | K | 77.7 | Confident | 84.7 | Confident | 141 Ų | 141 | 50.2 Ų | 50.2 | 61% | 0.613 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.9 | 39.9 | -175.8 | -62.3 | -176.2 | -179.7 | 177.6 | 0 | 115.3 | Y19 Y89 Q90 D92 | Y19-K94 WeakPolarHBondContact CB-O 3.44Å; Y19-K94 WeakPolarHBondContact CD2-O 3.12Å; Y19-K94 VanDerWaalsContact CG-O 3.25Å; Y89-K94 WeakPolarHBondContact OH-CA 3.45Å; Q90-K94 WeakPolarHBondContact O-CA 3.36Å; Q90-K94 PolarHBondContact O-N 3.25Å; D92-K94 VanDerWaalsContact C-N 3.31Å; D92-K94 PolarHBondContact O-N 3.49Å |
| 95 | R | 79.3 | Confident | 83.8 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 28% | 0.279 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 159.5 | -172 | 68.4 | -177.8 | -166.9 | 142.3 | 7.5 | 114.2 | Y89 Q90 K93 T97 | Y89-R95 VanDerWaalsContact CD2-O 3.31Å; Y89-R95 WeakPolarHBondContact CD2-O 3.07Å; Q90-R95 HydrophobicContact CB-CG 4.25Å; Q90-R95 PolarHBondContact N-O 3.47Å; Q90-R95 PolarHBondContact O-N 3.11Å; Q90-R95 VanDerWaalsContact O-N 3.14Å; K93-R95 VanDerWaalsContact C-N 3.26Å; K93-R95 HydrophobicContact CB-CG 3.93Å; K93-R95 PolarHBondContact O-N 2.89Å; K93-R95 VanDerWaalsContact O-N 3.15Å; R95-T97 PolarHBondContact NE-OG1 3.03Å; R95-T97 PolarHBondContact NH2-OG1 3.5Å |
| 96 | L | 79.9 | Confident | 82.6 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 152.1 | 160.5 | -68.5 | 172.3 | 0 | 0 | 0 | 110.1 | F17 V88 Y89 V289 | F17-L96 HydrophobicContact CE1-CD1 4.47Å; F17-L96 HydrophobicContact CE2-CD1 3.91Å; F17-L96 HydrophobicContact CE2-CD2 4.3Å; F17-L96 HydrophobicContact CE2-CG 3.7Å; F17-L96 HydrophobicContact CZ-CD1 3.87Å; F17-L96 HydrophobicContact CZ-CD2 4.04Å; F17-L96 HydrophobicContact CZ-CG 3.85Å; V88-L96 WeakPolarHBondContact O-CA 3.41Å; Y89-L96 HydrophobicContact CD2-CD2 4.43Å; L96-V289 HydrophobicContact CD2-CB 3.94Å; L96-V289 HydrophobicContact CD2-CG2 3.78Å |
| 97 | T | 80.7 | Confident | 81.5 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 133.6 | 168.9 | -60.3 | 0 | 0 | 0 | 0 | 108.2 | V88 Q90 R95 F99 | V88-T97 WeakPolarHBondContact CG2-O 3.34Å; V88-T97 PolarHBondContact N-O 3.34Å; V88-T97 PolarHBondContact O-N 3.03Å; Q90-T97 PolarHBondContact NE2-OG1 3.18Å; Q90-T97 PolarHBondContact OE1-OG1 2.93Å; R95-T97 PolarHBondContact NE-OG1 3.03Å; R95-T97 PolarHBondContact NH2-OG1 3.5Å; T97-F99 HydrophobicContact CG2-CD1 4.29Å; T97-F99 HydrophobicContact CG2-CE1 4.13Å |
| 98 | D | 82.6 | Confident | 80.6 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.7 | 178.2 | -53.5 | -44.8 | 0 | 0 | 0 | 109.9 | P87 | P87-D98 VanDerWaalsContact CA-OD1 3.25Å; P87-D98 WeakPolarHBondContact CA-OD1 3.17Å; P87-D98 WeakPolarHBondContact CB-OD1 3.42Å; P87-D98 VanDerWaalsContact CG-OD1 3.24Å; P87-D98 WeakPolarHBondContact CG-OD1 3.43Å |
| 99 | F | 85.7 | Confident | 80.3 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.3 | 167.7 | -66.1 | -6.1 | 0 | 0 | 0 | 108.2 | F85 M86 V88 T97 A101 I130 A132 | F85-F99 CarbonylContact C-O 3.23Å; F85-F99 VanDerWaalsContact CA-O 3.29Å; F85-F99 WeakPolarHBondContact CA-O 3.11Å; M86-F99 HydrophobicContact CE-CD2 4.48Å; M86-F99 PolarHBondContact N-O 2.88Å; M86-F99 PolarHBondContact O-N 3.26Å; V88-F99 HydrophobicContact CG2-CD1 3.96Å; V88-F99 HydrophobicContact CG2-CD2 3.81Å; V88-F99 HydrophobicContact CG2-CE1 3.71Å; V88-F99 HydrophobicContact CG2-CE2 3.58Å; V88-F99 HydrophobicContact CG2-CG 3.99Å; V88-F99 HydrophobicContact CG2-CZ 3.49Å; V88-F99 VanDerWaalsContact CG2-CZ 3.49Å; T97-F99 HydrophobicContact CG2-CD1 4.29Å; T97-F99 HydrophobicContact CG2-CE1 4.13Å; F99-A101 PolarHBondContact O-N 3.24Å; F99-I130 HydrophobicContact CE1-CB 4.21Å; F99-I130 HydrophobicContact CE1-CD1 3.81Å; F99-I130 HydrophobicContact CE1-CG2 4.03Å; F99-I130 HydrophobicContact CE2-CB 4.39Å; F99-I130 HydrophobicContact CZ-CB 3.59Å; F99-I130 HydrophobicContact CZ-CD1 4.05Å; F99-I130 HydrophobicContact CZ-CG1 4.38Å; F99-I130 HydrophobicContact CZ-CG2 3.6Å; F99-A132 HydrophobicContact CE2-CB 4.22Å; F99-A132 HydrophobicContact CZ-CB 3.93Å |
| 100 | I | 87.7 | Confident | 79.8 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 57% | 0.569 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 127.6 | 161.8 | -57.4 | 172.4 | 0 | 0 | 0 | 106.5 | F85 P102 | F85-I100 HydrophobicContact CD1-CG1 4.41Å; F85-I100 HydrophobicContact CE1-CG1 4.35Å; I100-P102 HydrophobicContact CG2-CG 4.22Å; I100-P102 WeakPolarHBondContact O-CD 3.45Å |
| 101 | A | 88.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -126.3 | 73.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | C84 M86 F99 V103 I124 L139 | C84-A101 PolarHBondContact O-N 2.91Å; M86-A101 HydrophobicContact CB-CB 3.94Å; F99-A101 PolarHBondContact O-N 3.24Å; A101-V103 PolarHBondContact O-N 2.77Å; A101-I124 HydrophobicContact CB-CB 4.45Å; A101-I124 HydrophobicContact CB-CD1 4.23Å; A101-L139 HydrophobicContact CB-CD1 4.27Å | ||
| 102 | P | 88 | Confident | 79.3 | Confident | 65 Ų | 65 | 62 Ų | 62 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 125.1 | -176.5 | -21.8 | 34.3 | 0 | 0 | 0 | 110.7 | I100 Y125 | I100-P102 HydrophobicContact CG2-CG 4.22Å; I100-P102 WeakPolarHBondContact O-CD 3.45Å; P102-Y125 WeakPolarHBondContact CD-O 3.44Å; P102-Y125 WeakPolarHBondContact O-CD2 3.16Å; P102-Y125 PolarHBondContact O-N 2.77Å |
| 103 | V | 88.1 | Confident | 78.8 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -79.7 | 124.7 | -178 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | I78 C84 A101 K105 G107 Y122 I124 L139 | I78-V103 HydrophobicContact CD1-CG1 4.33Å; I78-V103 HydrophobicContact CD1-CG2 4.15Å; C84-V103 HydrophobicContact CB-CG2 4.02Å; C84-V103 VanDerWaalsContact SG-CG2 3.54Å; A101-V103 PolarHBondContact O-N 2.77Å; V103-K105 PolarHBondContact O-N 3.21Å; V103-G107 VanDerWaalsContact CG1-CA 3.44Å; V103-Y122 HydrophobicContact CG1-CD1 4.37Å; V103-I124 HydrophobicContact CG1-CG2 4.49Å; V103-I124 HydrophobicContact CG2-CG2 4.16Å; V103-L139 HydrophobicContact CG2-CD2 4.49Å |
| 104 | A | 82.5 | Confident | 78.6 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -66 | 128.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H106 G107 N108 W112 C123 Y125 I170 | A104-H106 PolarHBondContact O-N 3.14Å; A104-G107 CarbonylContact O-C 3.49Å; A104-G107 WeakPolarHBondContact O-CA 3.12Å; A104-G107 PolarHBondContact O-N 3Å; A104-N108 PolarHBondContact O-N 2.97Å; A104-W112 HydrophobicContact CB-CZ3 4.14Å; A104-C123 HydrophobicContact CB-CB 4.08Å; A104-C123 PolarHBondContact N-O 3.47Å; A104-Y125 HydrophobicContact CB-CD2 4.37Å; A104-Y125 HydrophobicContact CB-CE2 3.6Å; A104-I170 HydrophobicContact CB-CD1 4.3Å |
| 105 | K | 73.4 | Confident | 78.5 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 52% | 0.522 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | 42.7 | 58.6 | 170.9 | -59.7 | -174 | 177.1 | -171.7 | 0 | 114 | V103 G107 N108 | V103-K105 PolarHBondContact O-N 3.21Å; K105-G107 PolarHBondContact O-N 3.32Å; K105-G107 VanDerWaalsContact O-N 3.14Å; K105-N108 WeakPolarHBondContact O-CB 3.2Å; K105-N108 PolarHBondContact O-N 2.96Å |
| 106 | H | 67.5 | Low | 78.4 | Confident | 128 Ų | 128 | 54.6 Ų | 54.6 | 59% | 0.593 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | 60.2 | 23.7 | 177.1 | -41.9 | -101.5 | 0 | 0 | 0 | 113.7 | D80 A104 | D80-H106 IonicContact OD1-CE1 3.32Å; D80-H106 PolarHBondContact OD1-CE1 2.87Å; D80-H106 IonicContact OD1-CG 3.85Å; D80-H106 IonicContact OD1-ND1 2.68Å; D80-H106 PolarHBondContact OD1-ND1 3.34Å; A104-H106 PolarHBondContact O-N 3.14Å |
| 107 | G | 67.7 | Low | 78.3 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | 99.7 | -22.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V103 A104 K105 C109 | V103-G107 VanDerWaalsContact CG1-CA 3.44Å; A104-G107 CarbonylContact O-C 3.49Å; A104-G107 WeakPolarHBondContact O-CA 3.12Å; A104-G107 PolarHBondContact O-N 3Å; K105-G107 PolarHBondContact O-N 3.32Å; K105-G107 VanDerWaalsContact O-N 3.14Å; G107-C109 PolarHBondContact O-N 2.9Å; G107-C109 VanDerWaalsContact O-N 3.14Å |
| 108 | N | 69.4 | Low | 78.1 | Confident | 96 Ų | 96 | 55 Ų | 55 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | trans | -75.3 | 107.3 | -171.7 | -169.8 | -14.8 | 0 | 0 | 0 | 112.3 | A104 K105 A110 | A104-N108 PolarHBondContact O-N 2.97Å; K105-N108 WeakPolarHBondContact O-CB 3.2Å; K105-N108 PolarHBondContact O-N 2.96Å; N108-A110 PolarHBondContact O-N 3.36Å; N108-A110 VanDerWaalsContact O-N 3.12Å; N108-A110 WeakPolarHBondContact OD1-CB 3.4Å; N108-A110 PolarHBondContact OD1-N 2.72Å | ||
| 109 | C | 80.2 | Confident | 78.1 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | -71.1 | 10.4 | 176.2 | -66.3 | 0 | 0 | 0 | 0 | 116.3 | G107 I111 W112 L116 C123 | G107-C109 PolarHBondContact O-N 2.9Å; G107-C109 VanDerWaalsContact O-N 3.14Å; C109-I111 PolarHBondContact O-N 3.15Å; C109-W112 HydrophobicContact CB-CE3 4.33Å; C109-W112 WeakPolarHBondContact O-CA 3.13Å; C109-W112 PolarHBondContact O-N 3.3Å; C109-L116 HydrophobicContact CB-CD1 3.09Å; C109-C123 HydrophobicContact CB-CB 4.04Å; C109-C123 WeakPolarHBondContact CB-SG 2.98Å; C109-C123 WeakPolarHBondContact SG-CB 3.31Å; C109-C123 PolarHBondContact SG-N 3.36Å; C109-C123 CovalentContact SG-SG 2.03Å; C109-C123 PolarHBondContact SG-SG 3.01Å | ||
| 110 | A | 71.6 | Confident | 77.9 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -42.9 | -31.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | N108 W112 Q113 | N108-A110 PolarHBondContact O-N 3.36Å; N108-A110 VanDerWaalsContact O-N 3.12Å; N108-A110 WeakPolarHBondContact OD1-CB 3.4Å; N108-A110 PolarHBondContact OD1-N 2.72Å; A110-W112 VanDerWaalsContact C-N 3.29Å; A110-W112 PolarHBondContact O-N 2.94Å; A110-Q113 VanDerWaalsContact O-CB 3.28Å; A110-Q113 WeakPolarHBondContact O-CB 3.11Å; A110-Q113 PolarHBondContact O-N 3.16Å |
| 111 | I | 73.4 | Confident | 78 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 33% | 0.328 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -70.7 | -22.4 | 175.8 | 28.6 | 172.6 | 0 | 0 | 0 | 113.6 | C109 Y161 | C109-I111 PolarHBondContact O-N 3.15Å; I111-Y161 WeakPolarHBondContact O-CE1 2.9Å; I111-Y161 PolarHBondContact O-OH 3.49Å |
| 112 | W | 77 | Confident | 78 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -98.1 | 11.3 | 171.9 | -57.6 | -80.9 | 0 | 0 | 0 | 113.3 | A104 C109 A110 N114 E115 L116 C123 Y125 F157 Y161 I170 | A104-W112 HydrophobicContact CB-CZ3 4.14Å; C109-W112 HydrophobicContact CB-CE3 4.33Å; C109-W112 WeakPolarHBondContact O-CA 3.13Å; C109-W112 PolarHBondContact O-N 3.3Å; A110-W112 VanDerWaalsContact C-N 3.29Å; A110-W112 PolarHBondContact O-N 2.94Å; W112-N114 PolarHBondContact O-N 2.74Å; W112-E115 PolarHBondContact O-N 3.39Å; W112-L116 HydrophobicContact CB-CD1 4.12Å; W112-L116 HydrophobicContact CB-CG 4.3Å; W112-L116 WeakPolarHBondContact O-CB 3.01Å; W112-L116 WeakPolarHBondContact O-CG 3.14Å; W112-L116 PolarHBondContact O-N 2.89Å; W112-C123 HydrophobicContact CE3-CB 4.14Å; W112-C123 HydrophobicContact CZ3-CB 4.18Å; W112-Y125 HydrophobicContact CH2-CE1 4.5Å; W112-F157 HydrophobicContact CB-CE1 4.16Å; W112-F157 HydrophobicContact CB-CZ 4.27Å; W112-F157 HydrophobicContact CG-CD1 4.43Å; W112-F157 HydrophobicContact CG-CE1 4.44Å; W112-F157 HydrophobicContact CG-CG 4.49Å; W112-F157 HydrophobicContact CG-CZ 4.48Å; W112-Y161 AromaticContact CD1-CD1 3.4Å; W112-Y161 AromaticContact CD1-CE1 3.51Å; W112-Y161 AromaticContact CD1-CG 3.96Å; W112-Y161 HydrophobicContact CG-CD1 4.44Å; W112-Y161 HydrophobicContact CG-CE1 4.23Å; W112-Y161 AromaticContact NE1-CD1 3.2Å; W112-Y161 AromaticContact NE1-CE1 3.7Å; W112-Y161 AromaticContact NE1-CG 3.89Å; W112-I170 HydrophobicContact CD2-CD1 4.22Å; W112-I170 HydrophobicContact CE3-CD1 3.92Å; W112-I170 HydrophobicContact CH2-CD1 3.06Å; W112-I170 HydrophobicContact CZ2-CD1 3.37Å; W112-I170 HydrophobicContact CZ2-CG2 3.95Å; W112-I170 HydrophobicContact CZ3-CD1 3.34Å |
| 113 | Q | 72.9 | Confident | 78.1 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.5 | -31 | -177.2 | -163.1 | 71.2 | 5.2 | 0 | 0 | 112.8 | A110 L116 G117 | A110-Q113 VanDerWaalsContact O-CB 3.28Å; A110-Q113 WeakPolarHBondContact O-CB 3.11Å; A110-Q113 PolarHBondContact O-N 3.16Å; Q113-L116 PolarHBondContact O-N 2.87Å; Q113-G117 PolarHBondContact NE2-O 3.2Å; Q113-G117 WeakPolarHBondContact O-CA 3.48Å; Q113-G117 PolarHBondContact O-N 3.3Å |
| 114 | N | 77 | Confident | 78.2 | Confident | 147 Ų | 147 | 46.7 Ų | 46.7 | 79% | 0.786 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -68.9 | -36.7 | 176.6 | -63.7 | -3.8 | 0 | 0 | 0 | 113.3 | W112 | W112-N114 PolarHBondContact O-N 2.74Å |
| 115 | E | 75.5 | Confident | 78.5 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -81 | -22.6 | 174 | -74 | -161.7 | -113.8 | 0 | 0 | 112.8 | T44 W112 F157 Y161 | T44-E115 WeakPolarHBondContact CG2-O 3.4Å; T44-E115 PolarHBondContact OG1-O 2.8Å; W112-E115 PolarHBondContact O-N 3.39Å; E115-F157 HydrophobicContact CB-CD1 4.22Å; E115-F157 HydrophobicContact CB-CE1 4.06Å; E115-Y161 HydrophobicContact CG-CE2 4.33Å; E115-Y161 VanDerWaalsContact OE1-CD2 3.29Å; E115-Y161 WeakPolarHBondContact OE1-CD2 3.31Å |
| 116 | L | 77.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -90 | -29.6 | -178.3 | -71.9 | 177 | 0 | 0 | 0 | 114 | G43 I47 C109 W112 Q113 A119 F157 Y172 | G43-L116 WeakPolarHBondContact CA-O 3.23Å; I47-L116 HydrophobicContact CD1-CD2 3.27Å; C109-L116 HydrophobicContact CB-CD1 3.09Å; W112-L116 HydrophobicContact CB-CD1 4.12Å; W112-L116 HydrophobicContact CB-CG 4.3Å; W112-L116 WeakPolarHBondContact O-CB 3.01Å; W112-L116 WeakPolarHBondContact O-CG 3.14Å; W112-L116 PolarHBondContact O-N 2.89Å; Q113-L116 PolarHBondContact O-N 2.87Å; L116-A119 HydrophobicContact CB-CB 4.48Å; L116-A119 VanDerWaalsContact O-CB 3.23Å; L116-A119 WeakPolarHBondContact O-CB 3.18Å; L116-A119 PolarHBondContact O-N 3.19Å; L116-F157 HydrophobicContact CD2-CE1 4.07Å; L116-F157 HydrophobicContact CD2-CZ 3.72Å; L116-F157 HydrophobicContact CG-CE1 4.32Å; L116-F157 HydrophobicContact CG-CZ 4.16Å; L116-Y172 HydrophobicContact CD1-CE2 4.46Å; L116-Y172 HydrophobicContact CD2-CD2 3.59Å; L116-Y172 HydrophobicContact CD2-CE2 3.55Å; L116-Y172 HydrophobicContact CD2-CG 4.3Å |
| 117 | G | 76 | Confident | 79.8 | Confident | 31 Ų | 31 | 39.2 Ų | 39.2 | 32% | 0.32 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 53.3 | -147 | -156.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q113 A119 | Q113-G117 PolarHBondContact NE2-O 3.2Å; Q113-G117 WeakPolarHBondContact O-CA 3.48Å; Q113-G117 PolarHBondContact O-N 3.3Å; G117-A119 PolarHBondContact O-N 3.01Å |
| 118 | A | 78.3 | Confident | 80.3 | Confident | 57 Ų | 57 | 42 Ų | 42 | 47% | 0.471 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -80.3 | 35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H42 | H42-A118 HydrophobicContact CB-CB 3.97Å; H42-A118 WeakPolarHBondContact CB-O 2.9Å |
| 119 | A | 81.7 | Confident | 80.8 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | trans | -84.8 | 116.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I47 L116 G117 G121 Y172 | I47-A119 HydrophobicContact CG2-CB 3.75Å; L116-A119 HydrophobicContact CB-CB 4.48Å; L116-A119 VanDerWaalsContact O-CB 3.23Å; L116-A119 WeakPolarHBondContact O-CB 3.18Å; L116-A119 PolarHBondContact O-N 3.19Å; G117-A119 PolarHBondContact O-N 3.01Å; A119-G121 PolarHBondContact O-N 2.04Å; A119-Y172 PolarHBondContact O-OH 2.85Å | ||
| 120 | N | 82.4 | Confident | 80.7 | Confident | 93 Ų | 93 | 48.4 Ų | 48.4 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | trans | -74.6 | 120.2 | 177.8 | -64.9 | -18.5 | 0 | 0 | 0 | 111.7 | Q40 Y172 D175 L178 | Q40-N120 PolarHBondContact NE2-O 3.09Å; N120-Y172 VanDerWaalsContact C-OH 3.25Å; N120-Y172 PolarHBondContact O-OH 3.5Å; N120-D175 WeakPolarHBondContact O-CB 3.39Å; N120-L178 HydrophobicContact CB-CD1 4.4Å | ||
| 121 | G | 88.5 | Confident | 81.2 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A119 Y172 A173 | A119-G121 PolarHBondContact O-N 2.04Å; G121-Y172 WeakPolarHBondContact CA-OH 3.25Å; G121-Y172 PolarHBondContact N-OH 2.87Å; G121-A173 CarbonylContact C-O 3.34Å; G121-A173 VanDerWaalsContact CA-O 3.32Å; G121-A173 WeakPolarHBondContact CA-O 3.48Å |
| 122 | Y | 90.4 | Very high | 81.8 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.8 | -173.3 | -57.6 | -78.1 | 0 | 0 | 0 | 110.5 | I78 V103 L139 F150 A173 D175 T177 | I78-Y122 HydrophobicContact CD1-CD1 3.41Å; I78-Y122 VanDerWaalsContact CD1-CD1 3.41Å; I78-Y122 HydrophobicContact CD1-CE1 3.39Å; I78-Y122 HydrophobicContact CD1-CG 4.03Å; I78-Y122 HydrophobicContact CG1-CD1 4.17Å; I78-Y122 HydrophobicContact CG1-CE1 3.61Å; V103-Y122 HydrophobicContact CG1-CD1 4.37Å; Y122-L139 HydrophobicContact CD2-CD2 4.25Å; Y122-L139 HydrophobicContact CG-CD2 4.03Å; Y122-F150 HydrophobicContact CD2-CB 4.37Å; Y122-F150 HydrophobicContact CE2-CB 3.87Å; Y122-F150 VanDerWaalsContact CE2-O 3.3Å; Y122-F150 WeakPolarHBondContact CE2-O 3.09Å; Y122-A173 PolarHBondContact N-O 3.26Å; Y122-A173 PolarHBondContact O-N 2.86Å; Y122-D175 HydrophobicContact CE2-CB 4.04Å; Y122-T177 WeakPolarHBondContact OH-CG2 3.11Å |
| 123 | C | 90 | Very high | 82.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.1 | 171.9 | -72.6 | 0 | 0 | 0 | 0 | 109.9 | A104 C109 W112 I170 G171 | A104-C123 HydrophobicContact CB-CB 4.08Å; A104-C123 PolarHBondContact N-O 3.47Å; C109-C123 HydrophobicContact CB-CB 4.04Å; C109-C123 WeakPolarHBondContact CB-SG 2.98Å; C109-C123 WeakPolarHBondContact SG-CB 3.31Å; C109-C123 PolarHBondContact SG-N 3.36Å; C109-C123 CovalentContact SG-SG 2.03Å; C109-C123 PolarHBondContact SG-SG 3.01Å; W112-C123 HydrophobicContact CE3-CB 4.14Å; W112-C123 HydrophobicContact CZ3-CB 4.18Å; C123-I170 HydrophobicContact CB-CD1 3.89Å; C123-I170 HydrophobicContact CB-CG1 4.41Å; C123-G171 CarbonylContact C-O 3.27Å; C123-G171 WeakPolarHBondContact CA-O 3.41Å |
| 124 | I | 89.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.8 | -174.2 | 65.4 | -179.9 | 0 | 0 | 0 | 111.5 | M86 A101 V103 L139 Y153 I170 G171 | M86-I124 HydrophobicContact CE-CD1 4.29Å; M86-I124 HydrophobicContact SD-CD1 3.86Å; A101-I124 HydrophobicContact CB-CB 4.45Å; A101-I124 HydrophobicContact CB-CD1 4.23Å; V103-I124 HydrophobicContact CG1-CG2 4.49Å; V103-I124 HydrophobicContact CG2-CG2 4.16Å; I124-L139 HydrophobicContact CD1-CD1 4.25Å; I124-L139 HydrophobicContact CG2-CD1 3.89Å; I124-L139 HydrophobicContact CG2-CD2 3.66Å; I124-L139 HydrophobicContact CG2-CG 4.41Å; I124-Y153 HydrophobicContact CD1-CD2 4.12Å; I124-I170 WeakPolarHBondContact O-CA 3.23Å; I124-I170 VanDerWaalsContact O-CG1 3.3Å; I124-I170 WeakPolarHBondContact O-CG1 3.5Å; I124-G171 PolarHBondContact N-O 2.91Å; I124-G171 PolarHBondContact O-N 3.43Å |
| 125 | Y | 87.3 | Confident | 83.3 | Confident | 40 Ų | 40 | 47 Ų | 47 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 143.6 | 172.3 | -59.2 | -75.1 | 0 | 0 | 0 | 110.3 | P102 A104 W112 S169 I170 | P102-Y125 WeakPolarHBondContact CD-O 3.44Å; P102-Y125 WeakPolarHBondContact O-CD2 3.16Å; P102-Y125 PolarHBondContact O-N 2.77Å; A104-Y125 HydrophobicContact CB-CD2 4.37Å; A104-Y125 HydrophobicContact CB-CE2 3.6Å; W112-Y125 HydrophobicContact CH2-CE1 4.5Å; Y125-S169 WeakPolarHBondContact CA-O 3.49Å; Y125-I170 HydrophobicContact CD1-CB 4.07Å; Y125-I170 HydrophobicContact CD1-CD1 4.05Å; Y125-I170 HydrophobicContact CD1-CG1 4.01Å; Y125-I170 HydrophobicContact CE1-CB 4.32Å; Y125-I170 HydrophobicContact CE1-CD1 3.69Å; Y125-I170 HydrophobicContact CE1-CG1 4.17Å |
| 126 | Y | 86.2 | Confident | 83.9 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 158.6 | 172.5 | 62.7 | -94.3 | 0 | 0 | 0 | 111.3 | M86 D128 K134 Y153 R156 S169 | M86-Y126 HydrophobicContact CE-CD1 4.23Å; M86-Y126 HydrophobicContact CE-CG 4.23Å; Y126-D128 HydrophobicContact CE2-CB 4.27Å; Y126-D128 WeakPolarHBondContact CE2-OD1 3.21Å; Y126-D128 PolarHBondContact O-N 3.13Å; Y126-D128 PolarHBondContact OH-OD2 3.23Å; Y126-K134 HydrophobicContact CD2-CD 3.9Å; Y126-K134 VanDerWaalsContact CD2-CE 3.4Å; Y126-K134 HydrophobicContact CE1-CD 4.45Å; Y126-K134 HydrophobicContact CE2-CD 3.58Å; Y126-K134 HydrophobicContact CG-CD 4.49Å; Y126-Y153 HydrophobicContact CD1-CE2 4.37Å; Y126-Y153 AromaticContact CE1-CE2 3.77Å; Y126-Y153 HydrophobicContact CE1-CE2 3.77Å; Y126-Y153 PolarHBondContact OH-OH 3.15Å; Y126-R156 WeakPolarHBondContact OH-CB 3.36Å; Y126-S169 PolarHBondContact N-O 2.95Å; Y126-S169 PolarHBondContact O-N 3.48Å; Y126-S169 WeakPolarHBondContact OH-CB 3.47Å |
| 127 | S | 81.9 | Confident | 84.5 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 33% | 0.329 | 25% | 0.249 | S | C | . | . | trans | -77.3 | 119.1 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | K129 | S127-K129 PolarHBondContact O-N 3.43Å; S127-K129 WeakPolarHBondContact OG-CB 3.44Å; S127-K129 PolarHBondContact OG-N 2.93Å | ||
| 128 | D | 78.8 | Confident | 85.3 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.1 | 172.5 | -116 | -24 | 0 | 0 | 0 | 113 | Y126 I130 K134 S169 | Y126-D128 HydrophobicContact CE2-CB 4.27Å; Y126-D128 WeakPolarHBondContact CE2-OD1 3.21Å; Y126-D128 PolarHBondContact O-N 3.13Å; Y126-D128 PolarHBondContact OH-OD2 3.23Å; D128-I130 PolarHBondContact O-N 3.4Å; D128-I130 VanDerWaalsContact O-N 3.08Å; D128-K134 IonicContact OD1-NZ 2.66Å; D128-K134 PolarHBondContact OD1-NZ 3.08Å; D128-S169 WeakPolarHBondContact CB-OG 3.32Å; D128-S169 WeakPolarHBondContact OD2-CB 3.44Å; D128-S169 PolarHBondContact OD2-OG 3.05Å |
| 129 | K | 79.6 | Confident | 86 | Confident | 175 Ų | 175 | 40.8 Ų | 40.8 | 76% | 0.761 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.5 | 176.4 | -58.5 | -177.6 | -179.2 | -178.9 | 0 | 113.8 | S127 | S127-K129 PolarHBondContact O-N 3.43Å; S127-K129 WeakPolarHBondContact OG-CB 3.44Å; S127-K129 PolarHBondContact OG-N 2.93Å |
| 130 | I | 77.7 | Confident | 86.6 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -113.5 | 116.4 | -177.2 | -54.6 | 175.8 | 0 | 0 | 0 | 109.5 | Q90 F99 D128 A132 | Q90-I130 HydrophobicContact CG-CG2 4.18Å; F99-I130 HydrophobicContact CE1-CB 4.21Å; F99-I130 HydrophobicContact CE1-CD1 3.81Å; F99-I130 HydrophobicContact CE1-CG2 4.03Å; F99-I130 HydrophobicContact CE2-CB 4.39Å; F99-I130 HydrophobicContact CZ-CB 3.59Å; F99-I130 HydrophobicContact CZ-CD1 4.05Å; F99-I130 HydrophobicContact CZ-CG1 4.38Å; F99-I130 HydrophobicContact CZ-CG2 3.6Å; D128-I130 PolarHBondContact O-N 3.4Å; D128-I130 VanDerWaalsContact O-N 3.08Å; I130-A132 PolarHBondContact O-N 3.43Å |
| 131 | P | 83.8 | Confident | 87.1 | Confident | 97 Ų | 97 | 36.9 Ų | 36.9 | 63% | 0.63 | 19% | 0.19 | S | C | * | . | trans | -76.7 | 80.9 | -175.1 | 31.3 | -36 | 0 | 0 | 0 | 112.3 | ||||
| 132 | A | 84.7 | Confident | 87.3 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | trans | -113.3 | 153.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | V88 Y89 Q90 F99 I130 K134 | V88-A132 HydrophobicContact CB-CB 3.86Å; V88-A132 HydrophobicContact CG2-CB 3.46Å; V88-A132 VanDerWaalsContact CG2-CB 3.46Å; Y89-A132 CarbonylContact O-C 3.38Å; Y89-A132 WeakPolarHBondContact O-CA 3.29Å; Q90-A132 HydrophobicContact CG-CB 4.11Å; F99-A132 HydrophobicContact CE2-CB 4.22Å; F99-A132 HydrophobicContact CZ-CB 3.93Å; I130-A132 PolarHBondContact O-N 3.43Å; A132-K134 PolarHBondContact O-N 2.84Å | ||
| 133 | R | 85 | Confident | 87.3 | Confident | 122 Ų | 122 | 39.5 Ų | 39.5 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -78.1 | 96.6 | 168.6 | -63.8 | -67 | 173.1 | -167.8 | -6.5 | 109 | Y89 | Y89-R133 HydrophobicContact CD1-CG 4.49Å; Y89-R133 PolarHBondContact N-O 2.73Å; Y89-R133 PolarHBondContact O-N 2.94Å |
| 134 | K | 86.7 | Confident | 87.3 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.078 | 24% | 0.236 | C | C | . | . | trans | -84.6 | -16.6 | 177.3 | -45.3 | -170.8 | 170.8 | 86.8 | 0 | 113.2 | M86 V88 Y126 D128 A132 G136 A137 Y153 | M86-K134 HydrophobicContact CE-CB 4.49Å; M86-K134 HydrophobicContact CE-CD 4.24Å; V88-K134 HydrophobicContact CG1-CB 4.27Å; V88-K134 HydrophobicContact CG1-CG 4.18Å; Y126-K134 HydrophobicContact CD2-CD 3.9Å; Y126-K134 VanDerWaalsContact CD2-CE 3.4Å; Y126-K134 HydrophobicContact CE1-CD 4.45Å; Y126-K134 HydrophobicContact CE2-CD 3.58Å; Y126-K134 HydrophobicContact CG-CD 4.49Å; D128-K134 IonicContact OD1-NZ 2.66Å; D128-K134 PolarHBondContact OD1-NZ 3.08Å; A132-K134 PolarHBondContact O-N 2.84Å; K134-G136 PolarHBondContact O-N 3.25Å; K134-A137 WeakPolarHBondContact O-CB 3.27Å; K134-A137 PolarHBondContact O-N 3.36Å; K134-Y153 HydrophobicContact CB-CD1 4Å; K134-Y153 HydrophobicContact CB-CE1 3.81Å; K134-Y153 HydrophobicContact CB-CE2 4.45Å; K134-Y153 HydrophobicContact CB-CG 4.42Å; K134-Y153 WeakPolarHBondContact O-CB 3.48Å; K134-Y153 WeakPolarHBondContact O-CD1 3.35Å | ||
| 135 | L | 87.2 | Confident | 87.2 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 105.8 | -160.3 | -174 | 49.5 | 0 | 0 | 0 | 112.3 | T154 V294 | L135-T154 WeakPolarHBondContact CD1-O 3.17Å; L135-V294 HydrophobicContact CD1-CB 4.35Å; L135-V294 HydrophobicContact CD1-CG1 3.74Å; L135-V294 HydrophobicContact CD1-CG2 3.89Å; L135-V294 HydrophobicContact CD2-CG2 3.87Å; L135-V294 HydrophobicContact CG-CB 4.02Å; L135-V294 HydrophobicContact CG-CG1 3.82Å; L135-V294 HydrophobicContact CG-CG2 3.68Å |
| 136 | G | 88.4 | Confident | 87.4 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 9.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K134 Y153 | K134-G136 PolarHBondContact O-N 3.25Å; G136-Y153 WeakPolarHBondContact CA-O 3.26Å; G136-Y153 PolarHBondContact N-O 3Å |
| 137 | A | 89.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -69.1 | 148 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M86 P87 V88 K134 Y153 | M86-A137 HydrophobicContact CG-CB 3.63Å; M86-A137 HydrophobicContact SD-CB 4.02Å; P87-A137 WeakPolarHBondContact O-CB 3.1Å; V88-A137 HydrophobicContact CG1-CB 4.05Å; K134-A137 WeakPolarHBondContact O-CB 3.27Å; K134-A137 PolarHBondContact O-N 3.36Å; A137-Y153 PolarHBondContact O-N 2.88Å | ||
| 138 | P | 92.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 141 | 175.9 | 33.5 | -36.1 | 0 | 0 | 0 | 110.6 | M86 P87 I140 Q149 S287 | M86-P138 WeakPolarHBondContact CA-O 3.22Å; P87-P138 HydrophobicContact CB-CG 4.45Å; P87-P138 HydrophobicContact CG-CG 4.08Å; P138-I140 HydrophobicContact CB-CD1 4.27Å; P138-I140 HydrophobicContact CB-CG1 3.89Å; P138-I140 HydrophobicContact CG-CD1 3.9Å; P138-I140 HydrophobicContact CG-CG1 4.01Å; P138-Q149 VanDerWaalsContact CB-CD 3.4Å; P138-Q149 HydrophobicContact CB-CG 3.8Å; P138-S287 WeakPolarHBondContact CB-OG 3.44Å; P138-S287 WeakPolarHBondContact CD-OG 3.14Å; P138-S287 WeakPolarHBondContact CG-OG 3.38Å |
| 139 | L | 93.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.7 | 159.3 | 175.5 | 58 | 0 | 0 | 0 | 107.8 | C84 A101 V103 Y122 I124 Q149 F150 G151 A173 | C84-L139 HydrophobicContact CB-CD1 4.13Å; A101-L139 HydrophobicContact CB-CD1 4.27Å; V103-L139 HydrophobicContact CG2-CD2 4.49Å; Y122-L139 HydrophobicContact CD2-CD2 4.25Å; Y122-L139 HydrophobicContact CG-CD2 4.03Å; I124-L139 HydrophobicContact CD1-CD1 4.25Å; I124-L139 HydrophobicContact CG2-CD1 3.89Å; I124-L139 HydrophobicContact CG2-CD2 3.66Å; I124-L139 HydrophobicContact CG2-CG 4.41Å; L139-Q149 CarbonylContact O-C 3.59Å; L139-Q149 WeakPolarHBondContact O-CA 3.45Å; L139-F150 PolarHBondContact O-N 3.44Å; L139-G151 PolarHBondContact N-O 3.44Å; L139-G151 PolarHBondContact O-N 3.05Å; L139-A173 HydrophobicContact CB-CB 4.07Å; L139-A173 HydrophobicContact CD2-CB 4.08Å |
| 140 | I | 93.7 | Very high | 89.5 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.6 | -177.5 | -59.6 | -178.7 | 0 | 0 | 0 | 108.4 | I69 C84 F85 P87 P138 L147 V148 | I69-I140 HydrophobicContact CD1-CB 3.99Å; I69-I140 HydrophobicContact CD1-CD1 3.61Å; I69-I140 HydrophobicContact CD1-CG1 3.48Å; I69-I140 VanDerWaalsContact CD1-CG1 3.48Å; I69-I140 HydrophobicContact CD1-CG2 3.56Å; C84-I140 CarbonylContact C-O 3.56Å; C84-I140 WeakPolarHBondContact CA-O 3.46Å; C84-I140 WeakPolarHBondContact CB-O 3.3Å; F85-I140 PolarHBondContact N-O 2.82Å; F85-I140 PolarHBondContact O-N 3.14Å; P87-I140 HydrophobicContact CG-CD1 3.58Å; P138-I140 HydrophobicContact CB-CD1 4.27Å; P138-I140 HydrophobicContact CB-CG1 3.89Å; P138-I140 HydrophobicContact CG-CD1 3.9Å; P138-I140 HydrophobicContact CG-CG1 4.01Å; I140-L147 HydrophobicContact CG2-CB 4.12Å; I140-L147 HydrophobicContact CG2-CD2 4.03Å; I140-L147 HydrophobicContact CG2-CG 4.48Å; I140-V148 CarbonylContact C-O 3.52Å; I140-V148 WeakPolarHBondContact CA-O 3.45Å |
| 141 | C | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.6 | 169.8 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | I78 C84 V148 F150 | I78-C141 HydrophobicContact CG2-CB 4.26Å; C84-C141 HydrophobicContact CB-CB 4.09Å; C84-C141 WeakPolarHBondContact CB-SG 3.25Å; C84-C141 WeakPolarHBondContact SG-CB 3.47Å; C84-C141 CovalentContact SG-SG 2.04Å; C84-C141 PolarHBondContact SG-SG 3.21Å; C141-V148 PolarHBondContact N-O 2.82Å; C141-V148 PolarHBondContact O-N 2.99Å; C141-F150 HydrophobicContact CB-CD2 3.88Å; C141-F150 HydrophobicContact CB-CE2 3.96Å |
| 142 | L | 92.4 | Very high | 90.5 | Very high | 56 Ų | 56 | 31 Ų | 31 | 29% | 0.293 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.5 | 169.8 | -175.6 | 62.8 | 0 | 0 | 0 | 109.4 | L83 G144 L147 | L83-L142 PolarHBondContact O-N 2.86Å; L142-G144 WeakPolarHBondContact CD1-O 3.48Å; L142-G144 WeakPolarHBondContact CG-O 3.16Å; L142-L147 HydrophobicContact CB-CD2 4.2Å; L142-L147 HydrophobicContact CD1-CD2 3.97Å |
| 143 | V | 91.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 21% | 0.206 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 105.4 | -178.8 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | P79 E145 K146 V148 F150 | P79-V143 HydrophobicContact CG-CB 4.49Å; P79-V143 HydrophobicContact CG-CG1 3.95Å; P79-V143 HydrophobicContact CG-CG2 4.06Å; V143-E145 PolarHBondContact O-N 2.76Å; V143-K146 PolarHBondContact N-O 3.16Å; V143-K146 PolarHBondContact O-N 3.02Å; V143-K146 VanDerWaalsContact O-N 3.11Å; V143-V148 HydrophobicContact CB-CG2 3.85Å; V143-V148 HydrophobicContact CG2-CB 4.21Å; V143-V148 HydrophobicContact CG2-CG2 3.82Å; V143-F150 HydrophobicContact CG2-CE2 3.66Å; V143-F150 HydrophobicContact CG2-CZ 3.96Å |
| 144 | G | 89 | Confident | 90.9 | Very high | 68 Ų | 68 | 25.7 Ų | 25.7 | 70% | 0.701 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -130.4 | -159.9 | 0 | 0 | 0 | 0 | 0 | 109 | L142 | L142-G144 WeakPolarHBondContact CD1-O 3.48Å; L142-G144 WeakPolarHBondContact CG-O 3.16Å |
| 145 | E | 88.9 | Confident | 90.9 | Very high | 144 Ų | 144 | 26 Ų | 26 | 67% | 0.673 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.1 | 177.4 | -53.6 | 178.5 | 146.6 | 0 | 0 | 113.9 | V143 F356 G357 | V143-E145 PolarHBondContact O-N 2.76Å; E145-F356 HydrophobicContact CB-CD1 3.82Å; E145-F356 HydrophobicContact CB-CE1 4.4Å; E145-F356 CarbonylContact O-C 3.6Å; E145-F356 WeakPolarHBondContact O-CA 3.44Å; E145-G357 PolarHBondContact O-N 2.9Å |
| 146 | K | 89.9 | Confident | 90.9 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 22% | 0.222 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139.5 | -169.4 | -63.1 | -159 | -178.2 | -163.6 | 0 | 113.7 | V143 S352 F356 | V143-K146 PolarHBondContact N-O 3.16Å; V143-K146 PolarHBondContact O-N 3.02Å; V143-K146 VanDerWaalsContact O-N 3.11Å; K146-S352 PolarHBondContact NZ-O 2.69Å; K146-F356 HydrophobicContact CG-CD1 4.38Å; K146-F356 HydrophobicContact CG-CE1 4.32Å |
| 147 | L | 91.6 | Very high | 90.5 | Very high | 34 Ų | 34 | 28.8 Ų | 28.8 | 18% | 0.178 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 126.7 | 167.6 | -63.6 | -179.6 | 0 | 0 | 0 | 110.1 | I69 C70 I140 L142 L355 | I69-L147 HydrophobicContact CD1-CB 4.06Å; I69-L147 HydrophobicContact CG1-CB 3.98Å; I69-L147 WeakPolarHBondContact CG1-O 3.39Å; C70-L147 WeakPolarHBondContact CB-O 3.16Å; C70-L147 PolarHBondContact N-O 2.96Å; C70-L147 PolarHBondContact SG-O 3.01Å; I140-L147 HydrophobicContact CG2-CB 4.12Å; I140-L147 HydrophobicContact CG2-CD2 4.03Å; I140-L147 HydrophobicContact CG2-CG 4.48Å; L142-L147 HydrophobicContact CB-CD2 4.2Å; L142-L147 HydrophobicContact CD1-CD2 3.97Å; L147-L355 HydrophobicContact CB-CB 4.3Å; L147-L355 HydrophobicContact CD1-CB 4.23Å; L147-L355 PolarHBondContact N-O 3.46Å |
| 148 | V | 92.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.8 | -176.8 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | C70 P72 I140 C141 V143 F150 | C70-V148 HydrophobicContact CB-CB 4.28Å; C70-V148 HydrophobicContact CB-CG1 4.25Å; C70-V148 HydrophobicContact CB-CG2 3.96Å; C70-V148 WeakPolarHBondContact O-CA 3.2Å; P72-V148 HydrophobicContact CB-CG1 3.9Å; I140-V148 CarbonylContact C-O 3.52Å; I140-V148 WeakPolarHBondContact CA-O 3.45Å; C141-V148 PolarHBondContact N-O 2.82Å; C141-V148 PolarHBondContact O-N 2.99Å; V143-V148 HydrophobicContact CB-CG2 3.85Å; V143-V148 HydrophobicContact CG2-CB 4.21Å; V143-V148 HydrophobicContact CG2-CG2 3.82Å; V148-F150 HydrophobicContact CB-CD2 4.17Å; V148-F150 HydrophobicContact CB-CE2 3.73Å; V148-F150 HydrophobicContact CB-CZ 4.38Å; V148-F150 HydrophobicContact CG1-CD2 4.04Å; V148-F150 HydrophobicContact CG1-CE2 3.72Å; V148-F150 HydrophobicContact CG1-CZ 4Å; V148-F150 PolarHBondContact O-N 2.91Å |
| 149 | Q | 93.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 96.9 | 176.7 | -171.7 | -177.6 | -21.4 | 0 | 0 | 111.2 | I69 C70 P72 P138 L139 G151 L176 | I69-Q149 HydrophobicContact CD1-CB 3.97Å; I69-Q149 HydrophobicContact CG1-CB 4.35Å; I69-Q149 HydrophobicContact CG2-CB 3.82Å; C70-Q149 PolarHBondContact O-N 2.76Å; P72-Q149 WeakPolarHBondContact CD-O 3.27Å; P138-Q149 VanDerWaalsContact CB-CD 3.4Å; P138-Q149 HydrophobicContact CB-CG 3.8Å; L139-Q149 CarbonylContact O-C 3.59Å; L139-Q149 WeakPolarHBondContact O-CA 3.45Å; Q149-G151 WeakPolarHBondContact CG-O 3.08Å; Q149-G151 PolarHBondContact NE2-O 3.42Å; Q149-L176 HydrophobicContact CG-CD1 3.86Å; Q149-L176 WeakPolarHBondContact O-CD1 3.34Å |
| 150 | F | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -23.6 | 179.4 | -76.6 | -86.6 | 0 | 0 | 0 | 114.2 | P72 Q76 I78 Y122 L139 C141 V143 V148 L176 T177 | P72-F150 HydrophobicContact CB-CD1 3.87Å; P72-F150 HydrophobicContact CB-CE1 3.78Å; P72-F150 HydrophobicContact CB-CZ 4.46Å; P72-F150 HydrophobicContact CG-CD1 4.25Å; Q76-F150 HydrophobicContact CB-CE1 4.32Å; Q76-F150 HydrophobicContact CG-CE1 3.99Å; Q76-F150 HydrophobicContact CG-CZ 4.28Å; Q76-F150 WeakPolarHBondContact O-CE1 3.13Å; I78-F150 HydrophobicContact CB-CZ 4.45Å; I78-F150 HydrophobicContact CD1-CB 3.93Å; I78-F150 HydrophobicContact CD1-CD1 4.34Å; I78-F150 HydrophobicContact CD1-CD2 4.23Å; I78-F150 HydrophobicContact CD1-CG 3.92Å; I78-F150 HydrophobicContact CG1-CB 4.09Å; I78-F150 HydrophobicContact CG1-CD1 3.55Å; I78-F150 HydrophobicContact CG1-CD2 3.83Å; I78-F150 HydrophobicContact CG1-CE1 3.82Å; I78-F150 HydrophobicContact CG1-CE2 4.07Å; I78-F150 HydrophobicContact CG1-CG 3.55Å; I78-F150 HydrophobicContact CG1-CZ 4.06Å; I78-F150 HydrophobicContact CG2-CE2 4.38Å; Y122-F150 HydrophobicContact CD2-CB 4.37Å; Y122-F150 HydrophobicContact CE2-CB 3.87Å; Y122-F150 VanDerWaalsContact CE2-O 3.3Å; Y122-F150 WeakPolarHBondContact CE2-O 3.09Å; L139-F150 PolarHBondContact O-N 3.44Å; C141-F150 HydrophobicContact CB-CD2 3.88Å; C141-F150 HydrophobicContact CB-CE2 3.96Å; V143-F150 HydrophobicContact CG2-CE2 3.66Å; V143-F150 HydrophobicContact CG2-CZ 3.96Å; V148-F150 HydrophobicContact CB-CD2 4.17Å; V148-F150 HydrophobicContact CB-CE2 3.73Å; V148-F150 HydrophobicContact CB-CZ 4.38Å; V148-F150 HydrophobicContact CG1-CD2 4.04Å; V148-F150 HydrophobicContact CG1-CE2 3.72Å; V148-F150 HydrophobicContact CG1-CZ 4Å; V148-F150 PolarHBondContact O-N 2.91Å; F150-L176 WeakPolarHBondContact O-CB 3.42Å; F150-L176 PolarHBondContact O-N 2.94Å; F150-T177 HydrophobicContact CD1-CG2 4.16Å |
| 151 | G | 92 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | L139 Q149 N174 | L139-G151 PolarHBondContact N-O 3.44Å; L139-G151 PolarHBondContact O-N 3.05Å; Q149-G151 WeakPolarHBondContact CG-O 3.08Å; Q149-G151 PolarHBondContact NE2-O 3.42Å; G151-N174 WeakPolarHBondContact CA-O 3.41Å |
| 152 | V | 91.9 | Very high | 84.5 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.2 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | V51 T154 A173 N174 L176 | V51-V152 HydrophobicContact CG1-CG2 4.07Å; V51-V152 HydrophobicContact CG2-CB 4.26Å; V51-V152 HydrophobicContact CG2-CG2 4.29Å; V152-T154 PolarHBondContact O-N 3.2Å; V152-A173 CarbonylContact O-C 3.6Å; V152-A173 VanDerWaalsContact O-CA 3.23Å; V152-A173 WeakPolarHBondContact O-CA 3.41Å; V152-N174 PolarHBondContact N-O 2.88Å; V152-N174 VanDerWaalsContact N-O 3.16Å; V152-N174 PolarHBondContact O-N 2.88Å; V152-L176 HydrophobicContact CG2-CD1 4.03Å; V152-L176 HydrophobicContact CG2-CD2 4.2Å; V152-L176 HydrophobicContact CG2-CG 4.36Å |
| 153 | Y | 91.1 | Very high | 83 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 129.4 | 179 | -177.7 | -76.4 | 0 | 0 | 0 | 112.1 | M86 I124 Y126 K134 G136 A137 T155 R156 Y172 | M86-Y153 HydrophobicContact CE-CD2 4.33Å; M86-Y153 HydrophobicContact SD-CD2 3.54Å; M86-Y153 VanDerWaalsContact SD-CD2 3.54Å; M86-Y153 HydrophobicContact SD-CE2 4.28Å; M86-Y153 HydrophobicContact SD-CG 3.93Å; I124-Y153 HydrophobicContact CD1-CD2 4.12Å; Y126-Y153 HydrophobicContact CD1-CE2 4.37Å; Y126-Y153 AromaticContact CE1-CE2 3.77Å; Y126-Y153 HydrophobicContact CE1-CE2 3.77Å; Y126-Y153 PolarHBondContact OH-OH 3.15Å; K134-Y153 HydrophobicContact CB-CD1 4Å; K134-Y153 HydrophobicContact CB-CE1 3.81Å; K134-Y153 HydrophobicContact CB-CE2 4.45Å; K134-Y153 HydrophobicContact CB-CG 4.42Å; K134-Y153 WeakPolarHBondContact O-CB 3.48Å; K134-Y153 WeakPolarHBondContact O-CD1 3.35Å; G136-Y153 WeakPolarHBondContact CA-O 3.26Å; G136-Y153 PolarHBondContact N-O 3Å; A137-Y153 PolarHBondContact O-N 2.88Å; Y153-T155 PolarHBondContact OH-O 3.16Å; Y153-R156 WeakPolarHBondContact OH-CB 3.08Å; Y153-Y172 WeakPolarHBondContact CA-O 3.18Å |
| 154 | T | 87.7 | Confident | 81.7 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | -27.4 | -179.6 | 50.4 | 0 | 0 | 0 | 0 | 116.4 | L135 V152 Y172 N174 | L135-T154 WeakPolarHBondContact CD1-O 3.17Å; V152-T154 PolarHBondContact O-N 3.2Å; T154-Y172 PolarHBondContact N-O 2.92Å; T154-N174 WeakPolarHBondContact CB-OD1 3.34Å; T154-N174 WeakPolarHBondContact CG2-OD1 3.23Å; T154-N174 PolarHBondContact OG1-OD1 3.13Å |
| 155 | T | 86.5 | Confident | 80.7 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 158.4 | 178.3 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | I47 Y153 G171 Y172 | I47-T155 HydrophobicContact CD1-CG2 4.24Å; I47-T155 HydrophobicContact CG1-CG2 3.95Å; Y153-T155 PolarHBondContact OH-O 3.16Å; T155-G171 CarbonylContact O-C 3.52Å; T155-G171 VanDerWaalsContact O-CA 3.24Å; T155-G171 WeakPolarHBondContact O-CA 3.36Å; T155-Y172 PolarHBondContact O-N 2.81Å |
| 156 | R | 86.4 | Confident | 79.5 | Confident | 120 Ų | 120 | 57.3 Ų | 57.3 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 154.5 | 162.3 | 70.5 | 170.4 | -173.2 | 81.1 | -6.7 | 109.7 | Y126 Y153 | Y126-R156 WeakPolarHBondContact OH-CB 3.36Å; Y153-R156 WeakPolarHBondContact OH-CB 3.08Å |
| 157 | F | 81 | Confident | 78.4 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | trans | -88.2 | -177.6 | 163.7 | -61.2 | -77 | 0 | 0 | 0 | 110.4 | W112 E115 L116 I170 Y172 | W112-F157 HydrophobicContact CB-CE1 4.16Å; W112-F157 HydrophobicContact CB-CZ 4.27Å; W112-F157 HydrophobicContact CG-CD1 4.43Å; W112-F157 HydrophobicContact CG-CE1 4.44Å; W112-F157 HydrophobicContact CG-CG 4.49Å; W112-F157 HydrophobicContact CG-CZ 4.48Å; E115-F157 HydrophobicContact CB-CD1 4.22Å; E115-F157 HydrophobicContact CB-CE1 4.06Å; L116-F157 HydrophobicContact CD2-CE1 4.07Å; L116-F157 HydrophobicContact CD2-CZ 3.72Å; L116-F157 HydrophobicContact CG-CE1 4.32Å; L116-F157 HydrophobicContact CG-CZ 4.16Å; F157-I170 HydrophobicContact CB-CG2 4Å; F157-I170 HydrophobicContact CD2-CG2 3.93Å; F157-I170 HydrophobicContact CG-CG2 4.37Å; F157-I170 PolarHBondContact N-O 3.44Å; F157-Y172 HydrophobicContact CZ-CD2 4.3Å; F157-Y172 HydrophobicContact CZ-CG 4.41Å | ||
| 158 | D | 73.5 | Confident | 77.7 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | trans | -79.2 | 132.3 | 172.5 | -158.9 | -84.9 | 0 | 0 | 0 | 111.5 | N160 Y161 | D158-N160 PolarHBondContact O-N 2.95Å; D158-N160 VanDerWaalsContact O-N 3.15Å; D158-N160 VanDerWaalsContact OD1-CB 3.3Å; D158-N160 WeakPolarHBondContact OD1-CB 3.41Å; D158-N160 PolarHBondContact OD1-N 2.67Å; D158-N160 PolarHBondContact OD1-ND2 3.48Å; D158-Y161 WeakPolarHBondContact O-CB 3.14Å; D158-Y161 PolarHBondContact O-N 2.92Å; D158-Y161 VanDerWaalsContact O-N 3.14Å | ||
| 159 | P | 66 | Low | 77.4 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18 | 178.3 | 26.7 | -36.2 | 0 | 0 | 0 | 113.6 | T164 | P159-T164 WeakPolarHBondContact O-CB 3.42Å; P159-T164 PolarHBondContact O-OG1 3.06Å |
| 160 | N | 66.1 | Low | 77 | Confident | 143 Ų | 143 | 57.4 Ų | 57.4 | 77% | 0.765 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.2 | 178.5 | -53.3 | -73 | 0 | 0 | 0 | 113.6 | D158 | D158-N160 PolarHBondContact O-N 2.95Å; D158-N160 VanDerWaalsContact O-N 3.15Å; D158-N160 VanDerWaalsContact OD1-CB 3.3Å; D158-N160 WeakPolarHBondContact OD1-CB 3.41Å; D158-N160 PolarHBondContact OD1-N 2.67Å; D158-N160 PolarHBondContact OD1-ND2 3.48Å |
| 161 | Y | 66.2 | Low | 76.9 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -73.2 | 142.6 | -178.5 | -165.9 | -80.3 | 0 | 0 | 0 | 112.1 | I111 W112 E115 D158 G163 T164 | I111-Y161 WeakPolarHBondContact O-CE1 2.9Å; I111-Y161 PolarHBondContact O-OH 3.49Å; W112-Y161 AromaticContact CD1-CD1 3.4Å; W112-Y161 AromaticContact CD1-CE1 3.51Å; W112-Y161 AromaticContact CD1-CG 3.96Å; W112-Y161 HydrophobicContact CG-CD1 4.44Å; W112-Y161 HydrophobicContact CG-CE1 4.23Å; W112-Y161 AromaticContact NE1-CD1 3.2Å; W112-Y161 AromaticContact NE1-CE1 3.7Å; W112-Y161 AromaticContact NE1-CG 3.89Å; E115-Y161 HydrophobicContact CG-CE2 4.33Å; E115-Y161 VanDerWaalsContact OE1-CD2 3.29Å; E115-Y161 WeakPolarHBondContact OE1-CD2 3.31Å; D158-Y161 WeakPolarHBondContact O-CB 3.14Å; D158-Y161 PolarHBondContact O-N 2.92Å; D158-Y161 VanDerWaalsContact O-N 3.14Å; Y161-G163 PolarHBondContact O-N 2.86Å; Y161-G163 VanDerWaalsContact O-N 3.12Å; Y161-T164 PolarHBondContact O-N 3.03Å; Y161-T164 PolarHBondContact O-OG1 3.28Å; Y161-T164 VanDerWaalsContact O-OG1 3.13Å |
| 162 | K | 63.6 | Low | 76.8 | Confident | 185 Ų | 185 | 57.4 Ų | 57.4 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 116.7 | -178.2 | -68.5 | -175 | 178.7 | -178.9 | 0 | 111.9 | ||
| 163 | G | 62 | Low | 76.8 | Confident | 38 Ų | 38 | 57.1 Ų | 57.1 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.3 | -4.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y161 | Y161-G163 PolarHBondContact O-N 2.86Å; Y161-G163 VanDerWaalsContact O-N 3.12Å |
| 164 | T | 64.2 | Low | 76.7 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | trans | -68.2 | 139.6 | 166.3 | 54 | 0 | 0 | 0 | 0 | 110.7 | P159 Y161 I170 | P159-T164 WeakPolarHBondContact O-CB 3.42Å; P159-T164 PolarHBondContact O-OG1 3.06Å; Y161-T164 PolarHBondContact O-N 3.03Å; Y161-T164 PolarHBondContact O-OG1 3.28Å; Y161-T164 VanDerWaalsContact O-OG1 3.13Å; T164-I170 HydrophobicContact CG2-CG2 3.88Å | ||
| 165 | Q | 66.7 | Low | 76.8 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | trans | -85 | 140.4 | 171.4 | -65.1 | -178 | -2.1 | 0 | 0 | 109.4 | G167 S168 | Q165-G167 PolarHBondContact O-N 3.2Å; Q165-S168 PolarHBondContact O-N 3.49Å; Q165-S168 VanDerWaalsContact O-O 3.13Å | ||
| 166 | K | 65.4 | Low | 77 | Confident | 223 Ų | 223 | 55.5 Ų | 55.5 | 97% | 0.97 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 108.9 | -176.4 | -173.6 | 175.6 | -178.8 | 176.5 | 0 | 111.7 | ||
| 167 | G | 66.8 | Low | 77.1 | Confident | 51 Ų | 51 | 50 Ų | 50 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 0.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q165 | Q165-G167 PolarHBondContact O-N 3.2Š|
| 168 | S | 76.6 | Confident | 77.2 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | trans | -111.8 | 133.8 | 170.1 | -62.5 | 0 | 0 | 0 | 0 | 109.9 | Q165 | Q165-S168 PolarHBondContact O-N 3.49Å; Q165-S168 VanDerWaalsContact O-O 3.13Å | ||
| 169 | S | 84.9 | Confident | 77.5 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 162.1 | 166.2 | -76.9 | 0 | 0 | 0 | 0 | 109.8 | Y125 Y126 D128 | Y125-S169 WeakPolarHBondContact CA-O 3.49Å; Y126-S169 PolarHBondContact N-O 2.95Å; Y126-S169 PolarHBondContact O-N 3.48Å; Y126-S169 WeakPolarHBondContact OH-CB 3.47Å; D128-S169 WeakPolarHBondContact CB-OG 3.32Å; D128-S169 WeakPolarHBondContact OD2-CB 3.44Å; D128-S169 PolarHBondContact OD2-OG 3.05Å |
| 170 | I | 86.8 | Confident | 78.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.9 | 169.5 | -162.8 | 179.9 | 0 | 0 | 0 | 110.2 | A104 W112 C123 I124 Y125 F157 T164 | A104-I170 HydrophobicContact CB-CD1 4.3Å; W112-I170 HydrophobicContact CD2-CD1 4.22Å; W112-I170 HydrophobicContact CE3-CD1 3.92Å; W112-I170 HydrophobicContact CH2-CD1 3.06Å; W112-I170 HydrophobicContact CZ2-CD1 3.37Å; W112-I170 HydrophobicContact CZ2-CG2 3.95Å; W112-I170 HydrophobicContact CZ3-CD1 3.34Å; C123-I170 HydrophobicContact CB-CD1 3.89Å; C123-I170 HydrophobicContact CB-CG1 4.41Å; I124-I170 WeakPolarHBondContact O-CA 3.23Å; I124-I170 VanDerWaalsContact O-CG1 3.3Å; I124-I170 WeakPolarHBondContact O-CG1 3.5Å; Y125-I170 HydrophobicContact CD1-CB 4.07Å; Y125-I170 HydrophobicContact CD1-CD1 4.05Å; Y125-I170 HydrophobicContact CD1-CG1 4.01Å; Y125-I170 HydrophobicContact CE1-CB 4.32Å; Y125-I170 HydrophobicContact CE1-CD1 3.69Å; Y125-I170 HydrophobicContact CE1-CG1 4.17Å; F157-I170 HydrophobicContact CB-CG2 4Å; F157-I170 HydrophobicContact CD2-CG2 3.93Å; F157-I170 HydrophobicContact CG-CG2 4.37Å; F157-I170 PolarHBondContact N-O 3.44Å; T164-I170 HydrophobicContact CG2-CG2 3.88Å |
| 171 | G | 89 | Confident | 78.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 178 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C123 I124 T155 | C123-G171 CarbonylContact C-O 3.27Å; C123-G171 WeakPolarHBondContact CA-O 3.41Å; I124-G171 PolarHBondContact N-O 2.91Å; I124-G171 PolarHBondContact O-N 3.43Å; T155-G171 CarbonylContact O-C 3.52Å; T155-G171 VanDerWaalsContact O-CA 3.24Å; T155-G171 WeakPolarHBondContact O-CA 3.36Å |
| 172 | Y | 90 | Very high | 78.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.7 | -169.5 | 178.3 | -94.4 | 0 | 0 | 0 | 110.8 | Q40 I47 L116 A119 N120 G121 Y153 T154 T155 F157 N174 | Q40-Y172 PolarHBondContact OE1-OH 2.86Å; I47-Y172 HydrophobicContact CB-CE1 4.39Å; I47-Y172 HydrophobicContact CD1-CD1 4.07Å; I47-Y172 HydrophobicContact CD1-CE1 4.16Å; I47-Y172 HydrophobicContact CD1-CG 4.26Å; I47-Y172 HydrophobicContact CG1-CD1 4.02Å; I47-Y172 HydrophobicContact CG1-CE1 4.08Å; I47-Y172 HydrophobicContact CG2-CD1 4.35Å; I47-Y172 HydrophobicContact CG2-CE1 3.55Å; L116-Y172 HydrophobicContact CD1-CE2 4.46Å; L116-Y172 HydrophobicContact CD2-CD2 3.59Å; L116-Y172 HydrophobicContact CD2-CE2 3.55Å; L116-Y172 HydrophobicContact CD2-CG 4.3Å; A119-Y172 PolarHBondContact O-OH 2.85Å; N120-Y172 VanDerWaalsContact C-OH 3.25Å; N120-Y172 PolarHBondContact O-OH 3.5Å; G121-Y172 WeakPolarHBondContact CA-OH 3.25Å; G121-Y172 PolarHBondContact N-OH 2.87Å; Y153-Y172 WeakPolarHBondContact CA-O 3.18Å; T154-Y172 PolarHBondContact N-O 2.92Å; T155-Y172 PolarHBondContact O-N 2.81Å; F157-Y172 HydrophobicContact CZ-CD2 4.3Å; F157-Y172 HydrophobicContact CZ-CG 4.41Å; Y172-N174 HydrophobicContact CE1-CB 4.42Å |
| 173 | A | 91.4 | Very high | 79.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | G121 Y122 L139 V152 D175 | G121-A173 CarbonylContact C-O 3.34Å; G121-A173 VanDerWaalsContact CA-O 3.32Å; G121-A173 WeakPolarHBondContact CA-O 3.48Å; Y122-A173 PolarHBondContact N-O 3.26Å; Y122-A173 PolarHBondContact O-N 2.86Å; L139-A173 HydrophobicContact CB-CB 4.07Å; L139-A173 HydrophobicContact CD2-CB 4.08Å; V152-A173 CarbonylContact O-C 3.6Å; V152-A173 VanDerWaalsContact O-CA 3.23Å; V152-A173 WeakPolarHBondContact O-CA 3.41Å; A173-D175 PolarHBondContact O-N 3.37Å |
| 174 | N | 90 | Very high | 79.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 135.1 | 173.1 | -69.9 | 93.8 | 0 | 0 | 0 | 110 | Q40 I47 V51 G151 V152 T154 Y172 | Q40-N174 PolarHBondContact NE2-ND2 2.92Å; Q40-N174 PolarHBondContact OE1-ND2 3.07Å; I47-N174 PolarHBondContact O-ND2 3.05Å; V51-N174 HydrophobicContact CG2-CB 3.71Å; G151-N174 WeakPolarHBondContact CA-O 3.41Å; V152-N174 PolarHBondContact N-O 2.88Å; V152-N174 VanDerWaalsContact N-O 3.16Å; V152-N174 PolarHBondContact O-N 2.88Å; T154-N174 WeakPolarHBondContact CB-OD1 3.34Å; T154-N174 WeakPolarHBondContact CG2-OD1 3.23Å; T154-N174 PolarHBondContact OG1-OD1 3.13Å; Y172-N174 HydrophobicContact CE1-CB 4.42Å |
| 175 | D | 89.6 | Confident | 80 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 130.5 | 177.4 | 172.9 | 24.7 | 0 | 0 | 0 | 112.2 | N120 Y122 A173 T177 | N120-D175 WeakPolarHBondContact O-CB 3.39Å; Y122-D175 HydrophobicContact CE2-CB 4.04Å; A173-D175 PolarHBondContact O-N 3.37Å; D175-T177 VanDerWaalsContact CG-OG1 3.3Å; D175-T177 VanDerWaalsContact OD1-CB 3.26Å; D175-T177 WeakPolarHBondContact OD1-CB 3.49Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.44Å; D175-T177 PolarHBondContact OD1-N 2.88Å; D175-T177 PolarHBondContact OD1-OG1 3.4Å; D175-T177 PolarHBondContact OD2-OG1 2.91Å |
| 176 | L | 90.3 | Very high | 80 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -97.3 | -14.2 | 175.4 | -72.1 | 173.7 | 0 | 0 | 0 | 114 | V51 M71 Q149 F150 V152 L178 M179 T180 L297 | V51-L176 HydrophobicContact CG1-CD2 4.08Å; V51-L176 HydrophobicContact CG2-CD2 4.13Å; M71-L176 HydrophobicContact CE-CB 3.93Å; M71-L176 HydrophobicContact SD-CB 3.96Å; M71-L176 HydrophobicContact SD-CD1 3.87Å; M71-L176 HydrophobicContact SD-CG 4.36Å; Q149-L176 HydrophobicContact CG-CD1 3.86Å; Q149-L176 WeakPolarHBondContact O-CD1 3.34Å; F150-L176 WeakPolarHBondContact O-CB 3.42Å; F150-L176 PolarHBondContact O-N 2.94Å; V152-L176 HydrophobicContact CG2-CD1 4.03Å; V152-L176 HydrophobicContact CG2-CD2 4.2Å; V152-L176 HydrophobicContact CG2-CG 4.36Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 2.04Å; L176-M179 HydrophobicContact CD2-CE 4.33Å; L176-M179 HydrophobicContact CD2-SD 3.95Å; L176-M179 WeakPolarHBondContact O-CA 3.07Å; L176-M179 WeakPolarHBondContact O-CB 3.33Å; L176-M179 PolarHBondContact O-N 2.78Å; L176-T180 PolarHBondContact O-N 2.86Å; L176-T180 VanDerWaalsContact O-N 3.15Å; L176-T180 PolarHBondContact O-OG1 2.84Å; L176-L297 HydrophobicContact CD1-CD2 4.41Å; L176-L297 HydrophobicContact CD2-CD2 3.91Å | ||
| 177 | T | 88.8 | Confident | 79.7 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -34.2 | -176.7 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | P72 R74 Q76 Y122 F150 D175 M179 | P72-T177 HydrophobicContact CB-CG2 3.91Å; P72-T177 HydrophobicContact CG-CG2 3.74Å; R74-T177 WeakPolarHBondContact CA-O 3.24Å; Q76-T177 VanDerWaalsContact O-CG2 3.25Å; Q76-T177 WeakPolarHBondContact O-CG2 3.43Å; Y122-T177 WeakPolarHBondContact OH-CG2 3.11Å; F150-T177 HydrophobicContact CD1-CG2 4.16Å; D175-T177 VanDerWaalsContact CG-OG1 3.3Å; D175-T177 VanDerWaalsContact OD1-CB 3.26Å; D175-T177 WeakPolarHBondContact OD1-CB 3.49Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.44Å; D175-T177 PolarHBondContact OD1-N 2.88Å; D175-T177 PolarHBondContact OD1-OG1 3.4Å; D175-T177 PolarHBondContact OD2-OG1 2.91Å; T177-M179 VanDerWaalsContact C-N 3.3Å |
| 178 | L | 83.3 | Confident | 78.9 | Confident | 69 Ų | 69 | 28.6 Ų | 28.6 | 36% | 0.361 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -20.8 | 173.3 | -67 | 175.4 | 0 | 0 | 0 | 113 | L75 N120 L176 | L75-L178 HydrophobicContact CD2-CD2 3.61Å; L75-L178 HydrophobicContact CG-CD2 4.41Å; N120-L178 HydrophobicContact CB-CD1 4.4Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 2.04Å |
| 179 | M | 80 | Confident | 77.9 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -18.3 | -179.1 | -65.2 | -176 | 49.9 | 0 | 0 | 113.3 | Y38 V51 L176 T177 S181 I182 I183 | Y38-M179 HydrophobicContact CD2-CE 3.37Å; Y38-M179 HydrophobicContact CE2-CE 4.22Å; Y38-M179 HydrophobicContact CG-CE 3.73Å; V51-M179 HydrophobicContact CB-CE 3.81Å; V51-M179 HydrophobicContact CB-SD 3.69Å; V51-M179 HydrophobicContact CG1-CE 3.83Å; V51-M179 HydrophobicContact CG1-SD 4.19Å; V51-M179 HydrophobicContact CG2-CE 4.49Å; V51-M179 HydrophobicContact CG2-SD 3.78Å; L176-M179 HydrophobicContact CD2-CE 4.33Å; L176-M179 HydrophobicContact CD2-SD 3.95Å; L176-M179 WeakPolarHBondContact O-CA 3.07Å; L176-M179 WeakPolarHBondContact O-CB 3.33Å; L176-M179 PolarHBondContact O-N 2.78Å; T177-M179 VanDerWaalsContact C-N 3.3Å; M179-S181 VanDerWaalsContact C-N 3.26Å; M179-S181 PolarHBondContact O-N 3.11Å; M179-I182 PolarHBondContact O-N 3.14Å; M179-I182 VanDerWaalsContact O-N 3.11Å; M179-I183 HydrophobicContact CB-CD1 4.05Å; M179-I183 HydrophobicContact CE-CD1 4.09Å; M179-I183 WeakPolarHBondContact O-CB 3.12Å; M179-I183 PolarHBondContact O-N 3.37Å |
| 180 | T | 80.9 | Confident | 76.3 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -50.9 | -41.5 | -178 | -54.4 | 0 | 0 | 0 | 0 | 113.1 | P72 L176 A184 | P72-T180 VanDerWaalsContact O-CG2 3.25Å; P72-T180 WeakPolarHBondContact O-CG2 3.36Å; P72-T180 PolarHBondContact O-OG1 3.2Å; L176-T180 PolarHBondContact O-N 2.86Å; L176-T180 VanDerWaalsContact O-N 3.15Å; L176-T180 PolarHBondContact O-OG1 2.84Å; T180-A184 WeakPolarHBondContact O-CB 3.37Å; T180-A184 PolarHBondContact O-N 3.46Å |
| 181 | S | 73.2 | Confident | 74.5 | Confident | 57 Ų | 57 | 35.4 Ų | 35.4 | 40% | 0.399 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.4 | -42.9 | 178.9 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | M179 I183 A184 G185 | M179-S181 VanDerWaalsContact C-N 3.26Å; M179-S181 PolarHBondContact O-N 3.11Å; S181-I183 VanDerWaalsContact C-N 3.32Å; S181-I183 PolarHBondContact O-N 2.99Å; S181-A184 PolarHBondContact O-N 2.8Å; S181-G185 PolarHBondContact O-N 2.9Å |
| 182 | I | 74 | Confident | 72.3 | Confident | 80 Ų | 80 | 38.4 Ų | 38.4 | 41% | 0.41 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 178.4 | -57.2 | 167.1 | 0 | 0 | 0 | 110.1 | Y38 M179 K186 | Y38-I182 HydrophobicContact CD1-CG2 4.22Å; Y38-I182 HydrophobicContact CE1-CG2 3.51Å; M179-I182 PolarHBondContact O-N 3.14Å; M179-I182 VanDerWaalsContact O-N 3.11Å; I182-K186 PolarHBondContact O-N 3.4Å |
| 183 | I | 70.4 | Confident | 70.4 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 177.2 | -80.6 | 173.3 | 0 | 0 | 0 | 111.5 | V53 M71 M179 S181 L187 F285 L297 I299 | V53-I183 HydrophobicContact CG2-CD1 4.21Å; V53-I183 HydrophobicContact CG2-CG1 4.33Å; M71-I183 HydrophobicContact CE-CD1 3.75Å; M179-I183 HydrophobicContact CB-CD1 4.05Å; M179-I183 HydrophobicContact CE-CD1 4.09Å; M179-I183 WeakPolarHBondContact O-CB 3.12Å; M179-I183 PolarHBondContact O-N 3.37Å; S181-I183 VanDerWaalsContact C-N 3.32Å; S181-I183 PolarHBondContact O-N 2.99Å; I183-L187 HydrophobicContact CG2-CD1 4.48Å; I183-L187 WeakPolarHBondContact O-CG 3.46Å; I183-L187 PolarHBondContact O-N 2.86Å; I183-F285 HydrophobicContact CG2-CE1 3.37Å; I183-F285 HydrophobicContact CG2-CE2 4.36Å; I183-F285 HydrophobicContact CG2-CZ 3.23Å; I183-L297 HydrophobicContact CD1-CD2 3.95Å; I183-I299 HydrophobicContact CB-CD1 4.44Å; I183-I299 HydrophobicContact CD1-CD1 4.49Å; I183-I299 HydrophobicContact CG1-CD1 3.99Å; I183-I299 HydrophobicContact CG2-CD1 4Å |
| 184 | A | 72.7 | Confident | 68.4 | Low | 17 Ų | 17 | 47.3 Ų | 47.3 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T180 S181 L187 Y188 I283 | T180-A184 WeakPolarHBondContact O-CB 3.37Å; T180-A184 PolarHBondContact O-N 3.46Å; S181-A184 PolarHBondContact O-N 2.8Å; A184-L187 WeakPolarHBondContact O-CB 3.24Å; A184-L187 PolarHBondContact O-N 3.41Å; A184-Y188 HydrophobicContact CB-CE2 4.37Å; A184-Y188 WeakPolarHBondContact O-CD2 3.28Å; A184-Y188 PolarHBondContact O-N 2.96Å; A184-I283 HydrophobicContact CB-CD1 3.7Å |
| 185 | G | 69 | Low | 66.2 | Low | 27 Ų | 27 | 52.4 Ų | 52.4 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56 | -53.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S181 L187 Y188 E189 | S181-G185 PolarHBondContact O-N 2.9Å; G185-L187 VanDerWaalsContact C-N 3.26Å; G185-L187 PolarHBondContact O-N 3.21Å; G185-Y188 PolarHBondContact O-N 2.84Å; G185-E189 WeakPolarHBondContact O-CG 3.35Å; G185-E189 PolarHBondContact O-N 3.15Å |
| 186 | K | 66.3 | Low | 63.5 | Low | 88 Ų | 88 | 54.4 Ų | 54.4 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.3 | -36.6 | 175.8 | -73.7 | -155.2 | 173.7 | -163 | 0 | 113.7 | S36 Y38 I182 E189 T190 | S36-K186 PolarHBondContact OG-NZ 2.96Å; S36-K186 VanDerWaalsContact OG-NZ 3.14Å; Y38-K186 WeakPolarHBondContact OH-CD 3.5Å; Y38-K186 WeakPolarHBondContact OH-CE 3.43Å; I182-K186 PolarHBondContact O-N 3.4Å; K186-E189 PolarHBondContact O-N 2.98Å; K186-T190 PolarHBondContact O-N 2.91Å; K186-T190 PolarHBondContact O-OG1 3.01Å |
| 187 | L | 59.4 | Low | 60.7 | Low | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 174.5 | -80.9 | 166.6 | 0 | 0 | 0 | 111.6 | I183 A184 G185 T190 A191 I283 F285 I299 F300 N302 | I183-L187 HydrophobicContact CG2-CD1 4.48Å; I183-L187 WeakPolarHBondContact O-CG 3.46Å; I183-L187 PolarHBondContact O-N 2.86Å; A184-L187 WeakPolarHBondContact O-CB 3.24Å; A184-L187 PolarHBondContact O-N 3.41Å; G185-L187 VanDerWaalsContact C-N 3.26Å; G185-L187 PolarHBondContact O-N 3.21Å; L187-T190 PolarHBondContact O-N 3.21Å; L187-A191 PolarHBondContact O-N 2.81Å; L187-I283 HydrophobicContact CD1-CD1 4.08Å; L187-I283 HydrophobicContact CD1-CG2 3.54Å; L187-F285 HydrophobicContact CD1-CE1 4.44Å; L187-F285 HydrophobicContact CD1-CZ 4.08Å; L187-I299 HydrophobicContact CD1-CG2 4.04Å; L187-I299 HydrophobicContact CD2-CG2 3.56Å; L187-I299 HydrophobicContact CG-CG2 3.86Å; L187-F300 WeakPolarHBondContact CD2-O 3.48Å; L187-N302 WeakPolarHBondContact O-CB 3.38Å; L187-N302 PolarHBondContact O-ND2 2.96Å |
| 188 | Y | 50.8 | Low | 58 | Low | 132 Ų | 132 | 69 Ų | 69 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 178 | -70.1 | -63.5 | 0 | 0 | 0 | 112.9 | A184 G185 T190 A191 A192 | A184-Y188 HydrophobicContact CB-CE2 4.37Å; A184-Y188 WeakPolarHBondContact O-CD2 3.28Å; A184-Y188 PolarHBondContact O-N 2.96Å; G185-Y188 PolarHBondContact O-N 2.84Å; Y188-T190 PolarHBondContact O-N 2.76Å; Y188-A191 WeakPolarHBondContact O-CB 2.98Å; Y188-A191 PolarHBondContact O-N 2.89Å; Y188-A192 PolarHBondContact O-N 3.06Å |
| 189 | E | 54.7 | Low | 55.6 | Low | 115 Ų | 115 | 70.9 Ų | 70.9 | 54% | 0.537 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.4 | -46.2 | 172.6 | -70.6 | 163.5 | -167.2 | 0 | 0 | 111.7 | G185 K186 A191 A192 N193 | G185-E189 WeakPolarHBondContact O-CG 3.35Å; G185-E189 PolarHBondContact O-N 3.15Å; K186-E189 PolarHBondContact O-N 2.98Å; E189-A191 VanDerWaalsContact C-N 3.3Å; E189-A191 PolarHBondContact O-N 3.27Å; E189-A192 PolarHBondContact O-N 2.03Å; E189-N193 PolarHBondContact O-N 3.33Å; E189-N193 VanDerWaalsContact O-N 3.09Å |
| 190 | T | 52.8 | Low | 53.3 | Low | 48 Ų | 48 | 75.4 Ų | 75.4 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.9 | -27.6 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | K186 L187 Y188 S194 | K186-T190 PolarHBondContact O-N 2.91Å; K186-T190 PolarHBondContact O-OG1 3.01Å; L187-T190 PolarHBondContact O-N 3.21Å; Y188-T190 PolarHBondContact O-N 2.76Å; T190-S194 VanDerWaalsContact O-CB 3.27Å; T190-S194 WeakPolarHBondContact O-CB 3.02Å; T190-S194 PolarHBondContact O-N 2.8Å; T190-S194 PolarHBondContact O-OG 2.8Å |
| 191 | A | 47.3 | Very low | 51 | Low | 26 Ų | 26 | 82 Ų | 82 | 22% | 0.215 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -68.3 | -47.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L187 Y188 E189 N193 S194 T195 N302 | L187-A191 PolarHBondContact O-N 2.81Å; Y188-A191 WeakPolarHBondContact O-CB 2.98Å; Y188-A191 PolarHBondContact O-N 2.89Å; E189-A191 VanDerWaalsContact C-N 3.3Å; E189-A191 PolarHBondContact O-N 3.27Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 2.94Å; A191-S194 PolarHBondContact O-N 3.22Å; A191-S194 PolarHBondContact O-OG 3.25Å; A191-T195 PolarHBondContact O-N 3.01Å; A191-T195 PolarHBondContact O-OG1 2.88Å; A191-N302 HydrophobicContact CB-CB 4.03Å; A191-N302 VanDerWaalsContact CB-CG 3.41Å; A191-N302 WeakPolarHBondContact CB-ND2 3.3Å |
| 192 | A | 44.5 | Very low | 49.2 | Very low | 62 Ų | 62 | 85.4 Ų | 85.4 | 51% | 0.512 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y188 E189 T195 | Y188-A192 PolarHBondContact O-N 3.06Å; E189-A192 PolarHBondContact O-N 2.03Å; A192-T195 PolarHBondContact O-N 2.98Å; A192-T195 PolarHBondContact O-OG1 2.89Å |
| 193 | N | 49.1 | Very low | 47.1 | Very low | 130 Ų | 130 | 91.1 Ų | 91.1 | 70% | 0.695 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.1 | -37.6 | -178.8 | -67.1 | -19.4 | 0 | 0 | 0 | 112.7 | E189 A191 T195 G196 | E189-N193 PolarHBondContact O-N 3.33Å; E189-N193 VanDerWaalsContact O-N 3.09Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 2.94Å; N193-T195 VanDerWaalsContact C-N 3.28Å; N193-T195 PolarHBondContact O-N 3.12Å; N193-G196 PolarHBondContact O-N 3.14Å |
| 194 | S | 49.1 | Very low | 45.3 | Very low | 58 Ų | 58 | 97.3 Ų | 97.3 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -79.7 | -3.9 | -179.5 | 61.5 | 0 | 0 | 0 | 0 | 114.9 | T190 A191 N303 | T190-S194 VanDerWaalsContact O-CB 3.27Å; T190-S194 WeakPolarHBondContact O-CB 3.02Å; T190-S194 PolarHBondContact O-N 2.8Å; T190-S194 PolarHBondContact O-OG 2.8Å; A191-S194 PolarHBondContact O-N 3.22Å; A191-S194 PolarHBondContact O-OG 3.25Å; S194-N303 VanDerWaalsContact CB-ND2 3.3Å; S194-N303 WeakPolarHBondContact CB-ND2 3.49Å; S194-N303 PolarHBondContact OG-ND2 2.76Å |
| 195 | T | 43.2 | Very low | 43.4 | Very low | 107 Ų | 107 | 104.4 Ų | 104.4 | 66% | 0.656 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 2.1 | 168.8 | 45 | 0 | 0 | 0 | 0 | 113.2 | A191 A192 N193 | A191-T195 PolarHBondContact O-N 3.01Å; A191-T195 PolarHBondContact O-OG1 2.88Å; A192-T195 PolarHBondContact O-N 2.98Å; A192-T195 PolarHBondContact O-OG1 2.89Å; N193-T195 VanDerWaalsContact C-N 3.28Å; N193-T195 PolarHBondContact O-N 3.12Å |
| 196 | G | 34 | Very low | 41.5 | Very low | 58 Ų | 58 | 114.1 Ų | 114.1 | 60% | 0.598 | 60% | 0.604 | S | S | * | * | trans | -82.6 | -4.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | N193 | N193-G196 PolarHBondContact O-N 3.14Š| ||
| 197 | Q | 32.1 | Very low | 39.6 | Very low | 203 Ų | 203 | 117.9 Ų | 117.9 | 95% | 0.949 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -114.1 | 60.4 | 178.2 | -76.1 | -169.6 | -24.1 | 0 | 0 | 113.1 | ||
| 198 | S | 32.1 | Very low | 38.2 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -145.8 | 154.3 | 152.8 | -167.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 199 | S | 32.9 | Very low | 37.2 | Very low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | trans | -84.3 | 123 | -159.5 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 200 | S | 30.9 | Very low | 36 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | 71 | 150.4 | 134 | -152.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 201 | R | 32.8 | Very low | 35 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | trans | 73.3 | 94.6 | 167 | -66.5 | -175.5 | 171.8 | -157.7 | -4.3 | 120.4 | N322 | R201-N322 PolarHBondContact NH1-OD1 3.15Š| ||
| 202 | K | 34.7 | Very low | 34.3 | Very low | 128 Ų | 128 | 135 Ų | 135 | 56% | 0.557 | 74% | 0.742 | S | S | * | * | 69.2 | 120 | 127.7 | -70.7 | -162.9 | 161.8 | -156.3 | 0 | 120.9 | W323 T324 | K202-W323 WeakPolarHBondContact CD-O 3.44Å; K202-W323 WeakPolarHBondContact CE-O 3.49Å; K202-W323 PolarHBondContact NZ-O 3.14Å; K202-T324 PolarHBondContact NZ-O 3.08Å; K202-T324 VanDerWaalsContact NZ-O 3.16Å | |||
| 203 | K | 30.7 | Very low | 33.6 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | trans | -75.8 | 154.2 | 148 | -62.1 | 172.5 | 177.7 | 173.8 | 0 | 110.4 | ||||
| 204 | T | 33 | Very low | 32.9 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -136.8 | 153.1 | 150.8 | -47.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 205 | H | 32.6 | Very low | 31.9 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -76.5 | 150.6 | -174.2 | -73.7 | -146.6 | 0 | 0 | 0 | 113.4 | ||||
| 206 | Y | 28.8 | Very low | 31.3 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 91% | 0.91 | 80% | 0.796 | S | S | * | * | trans | -143.6 | 121.7 | 133.5 | -92.9 | -74.1 | 0 | 0 | 0 | 109.3 | ||||
| 207 | L | 26.9 | Very low | 31.4 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -157.5 | 80.1 | 179.2 | -146.2 | -177 | 0 | 0 | 0 | 110.7 | ||||
| 208 | S | 29 | Very low | 31.6 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -164.9 | 145.1 | 173.9 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 209 | A | 29.7 | Very low | 31.7 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | 62.9 | 141.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 210 | F | 29.8 | Very low | 31.6 | Very low | 202 Ų | 202 | 151 Ų | 151 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | cis | -123.6 | 154.2 | 22.4 | -111.9 | -103.2 | 0 | 0 | 0 | 114.6 | ||||
| 211 | Q | 31.9 | Very low | 31.7 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -104.6 | 171.4 | 165.5 | -70.9 | -179.9 | -21.1 | 0 | 0 | 110.3 | ||||
| 212 | S | 33.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 70.2 | 159.2 | 178.4 | 81.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 213 | G | 29.5 | Very low | 31.1 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | 145.7 | 10 | 171.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 214 | Q | 33.2 | Very low | 30.9 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | trans | 64.1 | 161.3 | 164.8 | -60.2 | 178.2 | -15.6 | 0 | 0 | 119.3 | ||||
| 215 | R | 28.3 | Very low | 30.5 | Very low | 238 Ų | 238 | 159.2 Ų | 159.2 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -112.4 | 151.5 | 171.1 | -81 | -178.6 | 172.9 | 173.5 | -3.2 | 110 | ||||
| 216 | P | 32 | Very low | 30.1 | Very low | 129 Ų | 129 | 160.4 Ų | 160.4 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 167.6 | 142.4 | -15.1 | 33 | 0 | 0 | 0 | 114 | ||
| 217 | S | 34.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 156.3 Ų | 156.3 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82 | 156.3 | -171.3 | 47.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 218 | S | 35.8 | Very low | 29.9 | Very low | 107 Ų | 107 | 153.6 Ų | 153.6 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68 | 172.9 | 159.8 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 219 | P | 36.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | -151.5 | -178.4 | 96.2 | 40.1 | -22.8 | 0 | 0 | 0 | 117.3 | |||||
| 220 | F | 30.3 | Very low | 29.5 | Very low | 199 Ų | 199 | 153.8 Ų | 153.8 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | trans | 90.5 | 137.2 | 162.4 | -93.6 | -88 | 0 | 0 | 0 | 121.9 | ||||
| 221 | V | 31.8 | Very low | 29.3 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 70% | 0.697 | 81% | 0.813 | S | S | * | * | trans | -152.3 | 153.2 | -176.9 | -151 | 0 | 0 | 0 | 0 | 107 | ||||
| 222 | P | 29.6 | Very low | 28.9 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | -141.3 | 135.9 | 103.8 | 34.4 | -19.8 | 0 | 0 | 0 | 112.1 | |||||
| 223 | R | 25.1 | Very low | 28.4 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | 62.8 | 100.6 | 61 | -173.6 | -175.9 | -81.9 | -173 | -4.4 | 113.5 | |||||
| 224 | W | 26.8 | Very low | 28 | Very low | 253 Ų | 253 | 146.7 Ų | 146.7 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -122.3 | 158.1 | 149.7 | -82.6 | 96.7 | 0 | 0 | 0 | 109.4 | ||||
| 225 | R | 25.6 | Very low | 27.5 | Very low | 226 Ų | 226 | 148 Ų | 148 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -99.6 | 159.1 | -169.9 | -62.5 | -172 | -172.2 | -165.4 | 3.6 | 112.8 | ||||
| 226 | E | 24.4 | Very low | 27.1 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -70.1 | 149.7 | 161.1 | -57.7 | 162.6 | 119.8 | 0 | 0 | 111.4 | ||||
| 227 | T | 27.2 | Very low | 26.5 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -141.6 | 136.6 | 151.9 | 24.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 228 | A | 23.7 | Very low | 25.8 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -98.4 | 132.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 229 | A | 27.1 | Very low | 25.1 | Very low | 92 Ų | 92 | 156 Ų | 156 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -150.2 | 107.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 230 | S | 24.1 | Very low | 24.4 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | 61.9 | 110.3 | 81.7 | -161.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 231 | S | 23.9 | Very low | 24 | Very low | 88 Ų | 88 | 150 Ų | 150 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | trans | 44 | 102 | 147.1 | 60.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 232 | N | 24.4 | Very low | 23.6 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | 178.2 | 171.1 | 102.9 | -89.6 | -35.9 | 0 | 0 | 0 | 113.2 | |||||
| 233 | S | 22.9 | Very low | 23.4 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 125.4 | -177.8 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 234 | G | 21 | Very low | 23.5 | Very low | 60 Ų | 60 | 148.3 Ų | 148.3 | 62% | 0.619 | 81% | 0.809 | S | S | * | * | trans | -128.1 | 107.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 235 | Y | 21.7 | Very low | 23.2 | Very low | 228 Ų | 228 | 148.1 Ų | 148.1 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | -81.8 | 112.7 | 167.2 | -86.2 | -92.8 | 0 | 0 | 0 | 109.7 | ||||
| 236 | F | 21 | Very low | 23 | Very low | 202 Ų | 202 | 141 Ų | 141 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | trans | -85.4 | 115.7 | 169.4 | -77.6 | -87.1 | 0 | 0 | 0 | 111 | ||||
| 237 | R | 19 | Very low | 22.8 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | trans | -83.6 | 134 | 157.8 | -76.2 | -172.9 | -179.6 | 169 | 5.4 | 108.5 | Y239 | R237-Y239 HydrophobicContact CB-CD2 4.42Å; R237-Y239 HydrophobicContact CB-CE2 4.2Å; R237-Y239 PolarHBondContact NH1-OH 3.05Å | ||
| 238 | L | 21 | Very low | 22.5 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -109.9 | 132.1 | 155 | -77.5 | 169.4 | 0 | 0 | 0 | 108.5 | ||||
| 239 | Y | 19.4 | Very low | 22.3 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | trans | -99 | 139.3 | 171.7 | -77.3 | -101.6 | 0 | 0 | 0 | 108.8 | R237 | R237-Y239 HydrophobicContact CB-CD2 4.42Å; R237-Y239 HydrophobicContact CB-CE2 4.2Å; R237-Y239 PolarHBondContact NH1-OH 3.05Å | ||
| 240 | A | 23 | Very low | 21.9 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -123.9 | 138.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 241 | A | 20.7 | Very low | 21.6 | Very low | 82 Ų | 82 | 149.8 Ų | 149.8 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -114.7 | 170.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 242 | N | 24.9 | Very low | 21.3 | Very low | 156 Ų | 156 | 153.7 Ų | 153.7 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | 73.4 | 144.1 | 170.9 | -49.5 | -25.5 | 0 | 0 | 0 | 114.6 | ||||
| 243 | S | 24 | Very low | 21.1 | Very low | 101 Ų | 101 | 157.9 Ų | 157.9 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | cis | -157.4 | 160.1 | -6.6 | -135.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 244 | V | 27 | Very low | 20.9 | Very low | 138 Ų | 138 | 159 Ų | 159 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | 67.2 | 148.4 | 152.9 | 170.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 245 | R | 20.9 | Very low | 21.1 | Very low | 249 Ų | 249 | 163.2 Ų | 163.2 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | trans | -95.2 | 150.3 | 178.7 | -58.3 | 165.8 | 175.2 | 159.1 | -4.4 | 110.4 | ||||
| 246 | G | 22.4 | Very low | 21.1 | Very low | 78 Ų | 78 | 157.8 Ų | 157.8 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -160.7 | 122.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 247 | I | 19.9 | Very low | 21.2 | Very low | 170 Ų | 170 | 157.1 Ų | 157.1 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -116.4 | 116.6 | 175 | -59.5 | 170.5 | 0 | 0 | 0 | 107.4 | ||||
| 248 | I | 20.5 | Very low | 21.6 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -140 | 142.5 | 164.3 | -63.3 | -173.3 | 0 | 0 | 0 | 108.5 | ||||
| 249 | D | 18.8 | Very low | 21.8 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -104.7 | -169.3 | -178.5 | 176.4 | 37 | 0 | 0 | 0 | 110.9 | ||||
| 250 | V | 19.2 | Very low | 22.3 | Very low | 109 Ų | 109 | 154 Ų | 154 | 66% | 0.661 | 82% | 0.817 | S | S | * | * | trans | 106.6 | 94.7 | 151.7 | -170.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 251 | R | 17.9 | Very low | 22.4 | Very low | 236 Ų | 236 | 156.1 Ų | 156.1 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | 53.8 | 139 | 132.5 | -64.3 | -179.8 | 170.6 | 169.3 | -3.7 | 122.7 | ||||
| 252 | L | 18.1 | Very low | 22.8 | Very low | 171 Ų | 171 | 159.6 Ų | 159.6 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -66.4 | 152.8 | 168.3 | -63.6 | 151.5 | 0 | 0 | 0 | 114.2 | ||||
| 253 | R | 19.9 | Very low | 22.9 | Very low | 249 Ų | 249 | 160 Ų | 160 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | trans | -156.5 | 152.5 | 140.1 | -107.8 | 172.5 | -162.9 | -109.2 | 2.3 | 111.2 | ||||
| 254 | T | 19.6 | Very low | 22.9 | Very low | 138 Ų | 138 | 163.2 Ų | 163.2 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | -115 | 139.2 | -179.2 | 35.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 255 | V | 24 | Very low | 23.1 | Very low | 149 Ų | 149 | 161.6 Ų | 161.6 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -140.7 | 161.7 | 172 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 256 | V | 21.7 | Very low | 23.4 | Very low | 115 Ų | 115 | 159.7 Ų | 159.7 | 70% | 0.697 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 128.4 | -152.3 | 167.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 257 | K | 24 | Very low | 23.5 | Very low | 188 Ų | 188 | 161.5 Ų | 161.5 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | trans | 68.1 | 148.9 | 151.6 | -83.6 | 176.7 | 174.1 | 176.3 | 0 | 123.8 | ||||
| 258 | K | 26 | Very low | 23.8 | Very low | 199 Ų | 199 | 158 Ų | 158 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | 71.2 | 145.5 | 161.7 | -68.7 | 174.2 | 175.9 | -174.4 | 0 | 116.7 | ||||
| 259 | G | 25.7 | Very low | 24 | Very low | 59 Ų | 59 | 157.1 Ų | 157.1 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | cis | 162.3 | 171.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 260 | W | 29.2 | Very low | 24.4 | Very low | 230 Ų | 230 | 154.2 Ų | 154.2 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | 72.3 | 155.2 | 172.9 | -53.9 | 94.2 | 0 | 0 | 0 | 117.1 | ||||
| 261 | H | 26.5 | Very low | 24.6 | Very low | 150 Ų | 150 | 154.4 Ų | 154.4 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | cis | -166.7 | 177.5 | -38.9 | -133.7 | -106.9 | 0 | 0 | 0 | 109.9 | ||||
| 262 | E | 28.1 | Very low | 24.9 | Very low | 156 Ų | 156 | 146.7 Ų | 146.7 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | 70.4 | 155.5 | 164.3 | -67.7 | 169.6 | -173.2 | 0 | 0 | 118.3 | ||||
| 263 | M | 26.6 | Very low | 25.1 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | cis | -147.9 | -171.7 | -4.8 | -124.3 | 175.6 | -151.7 | 0 | 0 | 111.8 | ||||
| 264 | L | 24.1 | Very low | 25.2 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -111.4 | -148.1 | -166.8 | -65.1 | 167.6 | 0 | 0 | 0 | 115.6 | ||||
| 265 | P | 31.8 | Very low | 25.4 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | -130.4 | 175.4 | -108.3 | 42.5 | -24.7 | 0 | 0 | 0 | 116.6 | |||||
| 266 | F | 27.4 | Very low | 25.3 | Very low | 209 Ų | 209 | 140.5 Ų | 140.5 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | trans | -158.6 | -178.6 | 158.9 | -93.5 | -60.4 | 0 | 0 | 0 | 114.1 | ||||
| 267 | T | 25.5 | Very low | 25.4 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -148.4 | 165.1 | -149.6 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 268 | T | 25.4 | Very low | 25.3 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | cis | -170.1 | -175.4 | 3.9 | 13.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 269 | W | 24.6 | Very low | 25.2 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 57% | 0.572 | 75% | 0.754 | S | S | * | * | trans | 82.5 | 152 | 163.4 | -55.9 | 105.3 | 0 | 0 | 0 | 118.4 | Q313 | W269-Q313 HydrophobicContact CH2-CB 3.52Å; W269-Q313 HydrophobicContact CH2-CG 3.41Å; W269-Q313 VanDerWaalsContact CH2-CG 3.41Å; W269-Q313 HydrophobicContact CZ2-CB 4.3Å; W269-Q313 HydrophobicContact CZ2-CG 3.67Å; W269-Q313 HydrophobicContact CZ3-CB 4.08Å; W269-Q313 HydrophobicContact CZ3-CG 4.31Å | ||
| 270 | A | 26.7 | Very low | 25.3 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | cis | -153.5 | 153 | -3.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 271 | V | 24.5 | Very low | 25.1 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 3.1 | 138 | 160.1 | -168.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 272 | G | 23.2 | Very low | 25 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 72% | 0.721 | S | S | * | * | trans | -150.7 | 153.5 | 155 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 273 | N | 22.9 | Very low | 25 | Very low | 150 Ų | 150 | 123.1 Ų | 123.1 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | trans | -110.1 | 148.4 | -154.6 | -109.8 | -23.3 | 0 | 0 | 0 | 118.4 | ||||
| 274 | V | 22.4 | Very low | 24.8 | Very low | 133 Ų | 133 | 116.4 Ų | 116.4 | 81% | 0.806 | 67% | 0.668 | S | S | * | * | trans | 42.8 | 116.2 | 150.6 | -175.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 275 | A | 22.9 | Very low | 25.1 | Very low | 105 Ų | 105 | 108.5 Ų | 108.5 | 87% | 0.868 | 63% | 0.627 | S | S | * | * | trans | -149.3 | 147.8 | 144 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 276 | Q | 22 | Very low | 25 | Very low | 188 Ų | 188 | 104 Ų | 104 | 88% | 0.879 | 60% | 0.597 | S | S | * | * | trans | -112.1 | 124.1 | -170.5 | 174.3 | -179.4 | -15.9 | 0 | 0 | 111.1 | ||||
| 277 | A | 23.5 | Very low | 25.2 | Very low | 103 Ų | 103 | 95.5 Ų | 95.5 | 85% | 0.851 | 56% | 0.564 | S | S | * | * | trans | -143.8 | 141.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 278 | R | 22.3 | Very low | 25.5 | Very low | 209 Ų | 209 | 90.6 Ų | 90.6 | 79% | 0.789 | 53% | 0.534 | S | S | * | . | trans | -107.7 | 168.7 | 175.7 | -73.6 | -173.9 | 174.9 | 170 | -3.5 | 111.4 | ||||
| 279 | E | 24.7 | Very low | 25.7 | Very low | 143 Ų | 143 | 86.3 Ų | 86.3 | 67% | 0.668 | 51% | 0.508 | S | S | * | . | trans | 73.5 | 156.7 | 153.9 | -69.6 | 139.7 | -135.3 | 0 | 0 | 118.8 | ||||
| 280 | N | 26.5 | Very low | 25.9 | Very low | 71 Ų | 71 | 80.7 Ų | 80.7 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | trans | 84 | 90.3 | 167.6 | -47.9 | -68.3 | 0 | 0 | 0 | 118.5 | I349 | N280-I349 VanDerWaalsContact CG-CG2 3.46Å; N280-I349 VanDerWaalsContact ND2-CG2 3.3Å; N280-I349 WeakPolarHBondContact ND2-CG2 3.37Å; N280-I349 VanDerWaalsContact OD1-CG2 3.23Å; N280-I349 WeakPolarHBondContact OD1-CG2 3.47Å | ||
| 281 | T | 25.9 | Very low | 26.1 | Very low | 111 Ų | 111 | 81.5 Ų | 81.5 | 68% | 0.681 | 48% | 0.48 | S | S | * | . | trans | -104.1 | 84.9 | 168 | 41.8 | 0 | 0 | 0 | 0 | 112 | I283 | T281-I283 PolarHBondContact O-N 3.32Š| ||
| 282 | G | 25 | Very low | 26.2 | Very low | 40 Ų | 40 | 77 Ų | 77 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | trans | -74.6 | 119.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S352 | G282-S352 WeakPolarHBondContact CA-OG 3.37Å; G282-S352 PolarHBondContact O-OG 2.99Å | ||
| 283 | I | 26.2 | Very low | 26.3 | Very low | 55 Ų | 55 | 84.3 Ų | 84.3 | 28% | 0.282 | 46% | 0.461 | S | S | . | . | trans | -83.8 | 131.4 | -171.2 | -43.1 | 178.3 | 0 | 0 | 0 | 111.8 | M71 A184 L187 T281 F285 | M71-I283 PolarHBondContact N-O 2.68Å; A184-I283 HydrophobicContact CB-CD1 3.7Å; L187-I283 HydrophobicContact CD1-CD1 4.08Å; L187-I283 HydrophobicContact CD1-CG2 3.54Å; T281-I283 PolarHBondContact O-N 3.32Å; I283-F285 HydrophobicContact CB-CE2 3.88Å; I283-F285 HydrophobicContact CB-CZ 4.28Å; I283-F285 HydrophobicContact CG2-CD2 4.44Å; I283-F285 HydrophobicContact CG2-CE2 3.4Å; I283-F285 HydrophobicContact CG2-CZ 3.47Å; I283-F285 VanDerWaalsContact CG2-CZ 3.47Å | ||
| 284 | C | 23.8 | Very low | 26.4 | Very low | 23 Ų | 23 | 79.3 Ų | 79.3 | 16% | 0.155 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 150.5 | -179.9 | -36.4 | 0 | 0 | 0 | 0 | 111.8 | P68 I69 C354 | P68-C284 HydrophobicContact CB-CB 3.41Å; P68-C284 VanDerWaalsContact CB-CB 3.41Å; P68-C284 HydrophobicContact CG-CB 3.42Å; P68-C284 VanDerWaalsContact CG-CB 3.42Å; I69-C284 CarbonylContact O-C 3.46Å; I69-C284 WeakPolarHBondContact O-CA 3.5Å; I69-C284 WeakPolarHBondContact O-CB 3.34Å; C284-C354 HydrophobicContact CB-CB 3.89Å; C284-C354 WeakPolarHBondContact CB-SG 3.29Å; C284-C354 WeakPolarHBondContact SG-CA 3.42Å; C284-C354 WeakPolarHBondContact SG-CB 3.3Å; C284-C354 PolarHBondContact SG-N 2.89Å; C284-C354 CovalentContact SG-SG 2.04Å; C284-C354 PolarHBondContact SG-SG 3.43Å |
| 285 | F | 29.2 | Very low | 26.8 | Very low | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.009 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 150.7 | -170.8 | -65.4 | -97.3 | 0 | 0 | 0 | 111.5 | P68 I69 M71 I183 L187 I283 L297 I299 | P68-F285 CarbonylContact C-O 3.56Å; P68-F285 WeakPolarHBondContact CA-O 3.34Å; P68-F285 WeakPolarHBondContact CB-O 3.36Å; I69-F285 HydrophobicContact CG2-CB 4.42Å; I69-F285 WeakPolarHBondContact CG2-O 3.25Å; I69-F285 PolarHBondContact N-O 3.45Å; I69-F285 PolarHBondContact O-N 2.6Å; M71-F285 HydrophobicContact CB-CD2 3.85Å; M71-F285 HydrophobicContact CB-CE2 3.67Å; M71-F285 HydrophobicContact CG-CD1 4.43Å; M71-F285 HydrophobicContact CG-CD2 3.12Å; M71-F285 HydrophobicContact CG-CE1 4.45Å; M71-F285 HydrophobicContact CG-CE2 3.18Å; M71-F285 HydrophobicContact CG-CG 3.84Å; M71-F285 HydrophobicContact CG-CZ 3.9Å; I183-F285 HydrophobicContact CG2-CE1 3.37Å; I183-F285 HydrophobicContact CG2-CE2 4.36Å; I183-F285 HydrophobicContact CG2-CZ 3.23Å; L187-F285 HydrophobicContact CD1-CE1 4.44Å; L187-F285 HydrophobicContact CD1-CZ 4.08Å; I283-F285 HydrophobicContact CB-CE2 3.88Å; I283-F285 HydrophobicContact CB-CZ 4.28Å; I283-F285 HydrophobicContact CG2-CD2 4.44Å; I283-F285 HydrophobicContact CG2-CE2 3.4Å; I283-F285 HydrophobicContact CG2-CZ 3.47Å; I283-F285 VanDerWaalsContact CG2-CZ 3.47Å; F285-L297 HydrophobicContact CB-CD1 4.26Å; F285-I299 HydrophobicContact CD1-CB 4.32Å; F285-I299 HydrophobicContact CD1-CG1 3.85Å; F285-I299 HydrophobicContact CD1-CG2 4.46Å; F285-I299 HydrophobicContact CE1-CB 4.16Å; F285-I299 HydrophobicContact CE1-CD1 4.02Å; F285-I299 HydrophobicContact CE1-CG1 3.7Å; F285-I299 HydrophobicContact CE1-CG2 3.91Å |
| 286 | I | 30.2 | Very low | 27.2 | Very low | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.046 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -100.6 | 126.7 | 170.9 | -50.1 | 172.8 | 0 | 0 | 0 | 108.5 | V15 I60 F62 V66 P68 T288 I298 F300 | V15-I286 HydrophobicContact CG1-CD1 4.49Å; V15-I286 HydrophobicContact CG1-CG2 3.88Å; I60-I286 HydrophobicContact CB-CD1 4.18Å; I60-I286 HydrophobicContact CD1-CD1 4.16Å; I60-I286 HydrophobicContact CG2-CD1 3.64Å; F62-I286 HydrophobicContact CD1-CD1 4.12Å; F62-I286 HydrophobicContact CE1-CD1 3.91Å; V66-I286 HydrophobicContact CG1-CD1 3.73Å; P68-I286 HydrophobicContact CB-CG1 4.01Å; I286-T288 HydrophobicContact CG2-CG2 4.03Å; I286-I298 HydrophobicContact CB-CD1 4.35Å; I286-I298 HydrophobicContact CG2-CD1 4.5Å; I286-I298 PolarHBondContact N-O 3.39Å; I286-I298 WeakPolarHBondContact O-CB 3.29Å; I286-I298 WeakPolarHBondContact O-CD1 3.47Å; I286-I298 WeakPolarHBondContact O-CG1 3.43Å; I286-I298 PolarHBondContact O-N 3.02Å; I286-F300 HydrophobicContact CB-CD2 4.16Å; I286-F300 HydrophobicContact CB-CE2 3.45Å; I286-F300 VanDerWaalsContact CB-CE2 3.45Å; I286-F300 HydrophobicContact CB-CZ 4.17Å; I286-F300 HydrophobicContact CD1-CD2 3.91Å; I286-F300 HydrophobicContact CD1-CE1 4.48Å; I286-F300 HydrophobicContact CD1-CE2 3.62Å; I286-F300 HydrophobicContact CD1-CG 4.47Å; I286-F300 HydrophobicContact CD1-CZ 3.93Å; I286-F300 HydrophobicContact CG1-CD2 3.74Å; I286-F300 HydrophobicContact CG1-CE2 3.48Å; I286-F300 VanDerWaalsContact CG1-CE2 3.48Å; I286-F300 HydrophobicContact CG1-CZ 4.25Å |
| 287 | S | 32.4 | Very low | 27.7 | Very low | 31 Ų | 31 | 61.9 Ų | 61.9 | 22% | 0.217 | 33% | 0.326 | C | S | . | . | trans | -102.6 | 130.3 | 169.2 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | P138 | P138-S287 WeakPolarHBondContact CB-OG 3.44Å; P138-S287 WeakPolarHBondContact CD-OG 3.14Å; P138-S287 WeakPolarHBondContact CG-OG 3.38Å | ||
| 288 | T | 31.9 | Very low | 28.2 | Very low | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | trans | -136 | 133.5 | 172.6 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | L14 V15 I286 S290 I298 | L14-T288 WeakPolarHBondContact O-CB 3.47Å; L14-T288 WeakPolarHBondContact O-CG2 3.21Å; V15-T288 HydrophobicContact CB-CG2 4.13Å; V15-T288 HydrophobicContact CG1-CG2 3.88Å; V15-T288 HydrophobicContact CG2-CG2 3.81Å; I286-T288 HydrophobicContact CG2-CG2 4.03Å; T288-S290 PolarHBondContact O-N 2.66Å; T288-I298 HydrophobicContact CG2-CD1 3.97Å | ||
| 289 | V | 29.9 | Very low | 28.7 | Very low | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | trans | -77.4 | 110.2 | -179.6 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | P87 L96 | P87-V289 WeakPolarHBondContact O-CG2 3.46Å; L96-V289 HydrophobicContact CD2-CB 3.94Å; L96-V289 HydrophobicContact CD2-CG2 3.78Å | ||
| 290 | S | 28.6 | Very low | 28.9 | Very low | 32 Ų | 32 | 42.4 Ų | 42.4 | 22% | 0.224 | 23% | 0.227 | C | C | . | . | trans | -90.3 | 156 | 178.2 | -171.2 | 0 | 0 | 0 | 0 | 113.2 | T288 G292 | T288-S290 PolarHBondContact O-N 2.66Å; S290-G292 PolarHBondContact O-N 2.77Å; S290-G292 VanDerWaalsContact O-N 3.08Å | ||
| 291 | F | 29.1 | Very low | 28.9 | Very low | 97 Ų | 97 | 41.9 Ų | 41.9 | 43% | 0.425 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -86.8 | 70 | -168.2 | -71.9 | -132.7 | 0 | 0 | 0 | 111.6 | Y89 | Y89-F291 HydrophobicContact CD1-CD1 4.43Å; Y89-F291 HydrophobicContact CD1-CD2 4.44Å; Y89-F291 HydrophobicContact CD1-CE1 4.32Å; Y89-F291 HydrophobicContact CD1-CE2 4.31Å; Y89-F291 HydrophobicContact CD1-CZ 4.28Å; Y89-F291 HydrophobicContact CD2-CE2 4.37Å; Y89-F291 HydrophobicContact CD2-CZ 4.39Å; Y89-F291 AromaticContact CE1-CD1 3.72Å; Y89-F291 HydrophobicContact CE1-CD1 3.72Å; Y89-F291 HydrophobicContact CE1-CD2 4.32Å; Y89-F291 AromaticContact CE1-CE1 3.34Å; Y89-F291 HydrophobicContact CE1-CE1 3.34Å; Y89-F291 AromaticContact CE1-CE2 3.97Å; Y89-F291 HydrophobicContact CE1-CE2 3.97Å; Y89-F291 HydrophobicContact CE1-CG 4.22Å; Y89-F291 AromaticContact CE1-CZ 3.5Å; Y89-F291 HydrophobicContact CE1-CZ 3.5Å; Y89-F291 VanDerWaalsContact CE1-CZ 3.5Å; Y89-F291 HydrophobicContact CE2-CE1 4.29Å; Y89-F291 HydrophobicContact CE2-CE2 4.05Å; Y89-F291 AromaticContact CE2-CZ 3.64Å; Y89-F291 HydrophobicContact CE2-CZ 3.64Å; Y89-F291 AromaticContact CZ-CE1 3.33Å; Y89-F291 AromaticContact CZ-CE2 3.85Å; Y89-F291 AromaticContact CZ-CZ 3.14Å; Y89-F291 WeakPolarHBondContact OH-CE1 3.46Å; Y89-F291 WeakPolarHBondContact OH-CZ 3.22Å |
| 292 | G | 27.7 | Very low | 28.9 | Very low | 20 Ų | 20 | 38.8 Ų | 38.8 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -159.7 | -174 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S290 V294 | S290-G292 PolarHBondContact O-N 2.77Å; S290-G292 VanDerWaalsContact O-N 3.08Å; G292-V294 PolarHBondContact O-N 3.14Å |
| 293 | R | 24.9 | Very low | 29 | Very low | 226 Ų | 226 | 40.9 Ų | 40.9 | 85% | 0.853 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -88.9 | 83.2 | 165.6 | -70.4 | -178.6 | 177.4 | 172.3 | -1 | 107.7 | ||
| 294 | V | 25.9 | Very low | 29 | Very low | 46 Ų | 46 | 47.2 Ų | 47.2 | 28% | 0.279 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 60.5 | 163.6 | -173.4 | -117.8 | 0 | 0 | 0 | 0 | 112.7 | L135 G292 | L135-V294 HydrophobicContact CD1-CB 4.35Å; L135-V294 HydrophobicContact CD1-CG1 3.74Å; L135-V294 HydrophobicContact CD1-CG2 3.89Å; L135-V294 HydrophobicContact CD2-CG2 3.87Å; L135-V294 HydrophobicContact CG-CB 4.02Å; L135-V294 HydrophobicContact CG-CG1 3.82Å; L135-V294 HydrophobicContact CG-CG2 3.68Å; G292-V294 PolarHBondContact O-N 3.14Å |
| 295 | R | 30.8 | Very low | 29.1 | Very low | 53 Ų | 53 | 54.9 Ų | 54.9 | 20% | 0.2 | 26% | 0.261 | C | S | . | . | cis | -141.8 | 147.8 | 1.6 | -57 | -176 | 159.3 | -127.9 | -35.9 | 110.2 | V49 G50 V51 A52 | V49-R295 VanDerWaalsContact CG1-NH2 3.3Å; V49-R295 PolarHBondContact O-NH1 3.19Å; V49-R295 PolarHBondContact O-NH2 3.25Å; G50-R295 VanDerWaalsContact C-NH1 3.29Å; G50-R295 PolarHBondContact O-NH1 3.49Å; G50-R295 PolarHBondContact O-NH2 3.42Å; V51-R295 PolarHBondContact O-NH1 3.31Å; V51-R295 VanDerWaalsContact O-NH1 3.14Å; A52-R295 HydrophobicContact CB-CB 3.87Å; A52-R295 HydrophobicContact CB-CG 4.11Å | ||
| 296 | V | 30.7 | Very low | 29 | Very low | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | trans | -151.6 | 125.4 | 158.7 | -169.9 | 0 | 0 | 0 | 0 | 112.4 | L54 I298 | L54-V296 HydrophobicContact CD1-CB 4.46Å; L54-V296 HydrophobicContact CD1-CG1 4.14Å; L54-V296 HydrophobicContact CD1-CG2 4.07Å; V296-I298 HydrophobicContact CG1-CB 4.41Å; V296-I298 HydrophobicContact CG1-CD1 4.19Å; V296-I298 HydrophobicContact CG1-CG1 3.25Å | ||
| 297 | L | 33 | Very low | 28.7 | Very low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -123.2 | 126.2 | 142.4 | 171.7 | 65.5 | 0 | 0 | 0 | 105.4 | A52 V53 L54 L176 I183 F285 | A52-L297 PolarHBondContact O-N 3.42Å; V53-L297 WeakPolarHBondContact CA-O 3.3Å; V53-L297 HydrophobicContact CG2-CD2 4.34Å; L54-L297 PolarHBondContact N-O 3.38Å; L176-L297 HydrophobicContact CD1-CD2 4.41Å; L176-L297 HydrophobicContact CD2-CD2 3.91Å; I183-L297 HydrophobicContact CD1-CD2 3.95Å; F285-L297 HydrophobicContact CB-CD1 4.26Å | ||
| 298 | I | 34 | Very low | 28.4 | Very low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -104 | 131.6 | -176.8 | -29 | 159.2 | 0 | 0 | 0 | 110.8 | V13 V15 L56 I286 T288 V296 F300 | V13-I298 HydrophobicContact CG1-CD1 3.42Å; V13-I298 VanDerWaalsContact CG1-CD1 3.42Å; V13-I298 HydrophobicContact CG1-CG1 4.1Å; V15-I298 HydrophobicContact CG2-CD1 4.27Å; L56-I298 HydrophobicContact CD1-CG2 3.62Å; L56-I298 HydrophobicContact CG-CG2 3.8Å; I286-I298 HydrophobicContact CB-CD1 4.35Å; I286-I298 HydrophobicContact CG2-CD1 4.5Å; I286-I298 PolarHBondContact N-O 3.39Å; I286-I298 WeakPolarHBondContact O-CB 3.29Å; I286-I298 WeakPolarHBondContact O-CD1 3.47Å; I286-I298 WeakPolarHBondContact O-CG1 3.43Å; I286-I298 PolarHBondContact O-N 3.02Å; T288-I298 HydrophobicContact CG2-CD1 3.97Å; V296-I298 HydrophobicContact CG1-CB 4.41Å; V296-I298 HydrophobicContact CG1-CD1 4.19Å; V296-I298 HydrophobicContact CG1-CG1 3.25Å; I298-F300 HydrophobicContact CB-CE2 3.7Å; I298-F300 HydrophobicContact CB-CZ 3.84Å; I298-F300 HydrophobicContact CD1-CE2 4.5Å; I298-F300 HydrophobicContact CD1-CZ 4.27Å; I298-F300 HydrophobicContact CG2-CE1 4.26Å; I298-F300 HydrophobicContact CG2-CE2 3.7Å; I298-F300 HydrophobicContact CG2-CZ 3.37Å |
| 299 | I | 32.1 | Very low | 28 | Very low | 26 Ų | 26 | 82.6 Ų | 82.6 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | trans | -105.2 | 143.9 | 176.4 | -52.9 | -167.3 | 0 | 0 | 0 | 108.8 | V53 L54 I183 L187 F285 | V53-I299 HydrophobicContact CB-CD1 4.17Å; V53-I299 HydrophobicContact CG1-CD1 3.35Å; V53-I299 HydrophobicContact CG1-CG1 3.79Å; V53-I299 HydrophobicContact CG2-CD1 3.74Å; V53-I299 HydrophobicContact CG2-CG1 4.27Å; L54-I299 PolarHBondContact O-N 3.46Å; I183-I299 HydrophobicContact CB-CD1 4.44Å; I183-I299 HydrophobicContact CD1-CD1 4.49Å; I183-I299 HydrophobicContact CG1-CD1 3.99Å; I183-I299 HydrophobicContact CG2-CD1 4Å; L187-I299 HydrophobicContact CD1-CG2 4.04Å; L187-I299 HydrophobicContact CD2-CG2 3.56Å; L187-I299 HydrophobicContact CG-CG2 3.86Å; F285-I299 HydrophobicContact CD1-CB 4.32Å; F285-I299 HydrophobicContact CD1-CG1 3.85Å; F285-I299 HydrophobicContact CD1-CG2 4.46Å; F285-I299 HydrophobicContact CE1-CB 4.16Å; F285-I299 HydrophobicContact CE1-CD1 4.02Å; F285-I299 HydrophobicContact CE1-CG1 3.7Å; F285-I299 HydrophobicContact CE1-CG2 3.91Å | ||
| 300 | F | 28.2 | Very low | 27.8 | Very low | 21 Ų | 21 | 89.5 Ų | 89.5 | 9% | 0.092 | 42% | 0.418 | C | S | . | . | trans | -109.4 | 144.3 | -178.9 | -75 | -72.2 | 0 | 0 | 0 | 113.3 | L56 I60 F62 L187 I286 I298 | L56-F300 HydrophobicContact CD1-CE1 3.86Å; L56-F300 HydrophobicContact CD1-CZ 3.9Å; I60-F300 HydrophobicContact CB-CD1 3.76Å; I60-F300 HydrophobicContact CB-CE1 3.46Å; I60-F300 VanDerWaalsContact CB-CE1 3.46Å; I60-F300 HydrophobicContact CB-CZ 4.18Å; I60-F300 HydrophobicContact CD1-CE1 3.41Å; I60-F300 VanDerWaalsContact CD1-CE1 3.41Å; I60-F300 HydrophobicContact CD1-CZ 3.4Å; I60-F300 VanDerWaalsContact CD1-CZ 3.4Å; I60-F300 HydrophobicContact CG1-CD1 4.13Å; I60-F300 HydrophobicContact CG1-CE1 3.33Å; I60-F300 HydrophobicContact CG1-CZ 3.91Å; F62-F300 HydrophobicContact CE1-CG 4.43Å; L187-F300 WeakPolarHBondContact CD2-O 3.48Å; I286-F300 HydrophobicContact CB-CD2 4.16Å; I286-F300 HydrophobicContact CB-CE2 3.45Å; I286-F300 VanDerWaalsContact CB-CE2 3.45Å; I286-F300 HydrophobicContact CB-CZ 4.17Å; I286-F300 HydrophobicContact CD1-CD2 3.91Å; I286-F300 HydrophobicContact CD1-CE1 4.48Å; I286-F300 HydrophobicContact CD1-CE2 3.62Å; I286-F300 HydrophobicContact CD1-CG 4.47Å; I286-F300 HydrophobicContact CD1-CZ 3.93Å; I286-F300 HydrophobicContact CG1-CD2 3.74Å; I286-F300 HydrophobicContact CG1-CE2 3.48Å; I286-F300 VanDerWaalsContact CG1-CE2 3.48Å; I286-F300 HydrophobicContact CG1-CZ 4.25Å; I298-F300 HydrophobicContact CB-CE2 3.7Å; I298-F300 HydrophobicContact CB-CZ 3.84Å; I298-F300 HydrophobicContact CD1-CE2 4.5Å; I298-F300 HydrophobicContact CD1-CZ 4.27Å; I298-F300 HydrophobicContact CG2-CE1 4.26Å; I298-F300 HydrophobicContact CG2-CE2 3.7Å; I298-F300 HydrophobicContact CG2-CZ 3.37Å | ||
| 301 | P | 27.3 | Very low | 27.6 | Very low | 60 Ų | 60 | 91.2 Ų | 91.2 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | trans | -73.4 | 146.9 | -158 | 27.6 | -34.5 | 0 | 0 | 0 | 111.8 | S59 N303 | S59-P301 VanDerWaalsContact OG-CG 3.24Å; S59-P301 WeakPolarHBondContact OG-CG 3.48Å; P301-N303 PolarHBondContact O-N 3Å | ||
| 302 | N | 25.1 | Very low | 27.4 | Very low | 46 Ų | 46 | 91.7 Ų | 91.7 | 25% | 0.246 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -80 | 87.8 | 177.3 | -157 | -15.8 | 0 | 0 | 0 | 110.5 | L187 A191 | L187-N302 WeakPolarHBondContact O-CB 3.38Å; L187-N302 PolarHBondContact O-ND2 2.96Å; A191-N302 HydrophobicContact CB-CB 4.03Å; A191-N302 VanDerWaalsContact CB-CG 3.41Å; A191-N302 WeakPolarHBondContact CB-ND2 3.3Å |
| 303 | N | 27.9 | Very low | 27.5 | Very low | 84 Ų | 84 | 98 Ų | 98 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | trans | -157.4 | 88.6 | 163.4 | -117.3 | -71.2 | 0 | 0 | 0 | 110.2 | S194 P301 K305 | S194-N303 VanDerWaalsContact CB-ND2 3.3Å; S194-N303 WeakPolarHBondContact CB-ND2 3.49Å; S194-N303 PolarHBondContact OG-ND2 2.76Å; P301-N303 PolarHBondContact O-N 3Å; N303-K305 PolarHBondContact O-N 2.94Å | ||
| 304 | Y | 27 | Very low | 27.6 | Very low | 188 Ų | 188 | 91.7 Ų | 91.7 | 74% | 0.737 | 46% | 0.461 | S | S | * | . | trans | -77.8 | 61.1 | 178.1 | -163.5 | -98.9 | 0 | 0 | 0 | 111.6 | R306 | Y304-R306 HydrophobicContact CD1-CB 4.14Å; Y304-R306 HydrophobicContact CE1-CB 3.73Å; Y304-R306 HydrophobicContact CE1-CG 4.1Å; Y304-R306 PolarHBondContact O-N 3.27Å | ||
| 305 | K | 24.7 | Very low | 27.8 | Very low | 184 Ų | 184 | 96.7 Ų | 96.7 | 80% | 0.8 | 49% | 0.491 | S | S | * | . | trans | -73.4 | 80.3 | 160.3 | -76.5 | -160.3 | 176.9 | -172.9 | 0 | 108.8 | N303 K307 | N303-K305 PolarHBondContact O-N 2.94Å; K305-K307 PolarHBondContact O-N 3.34Å; K305-K307 VanDerWaalsContact O-N 3.09Å | ||
| 306 | R | 27.5 | Very low | 27.8 | Very low | 186 Ų | 186 | 99.9 Ų | 99.9 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | trans | -52.8 | 114.7 | 160.8 | -160.2 | -176.1 | -147.4 | -172.3 | 5.7 | 106.4 | Y304 S308 | Y304-R306 HydrophobicContact CD1-CB 4.14Å; Y304-R306 HydrophobicContact CE1-CB 3.73Å; Y304-R306 HydrophobicContact CE1-CG 4.1Å; Y304-R306 PolarHBondContact O-N 3.27Å; R306-S308 PolarHBondContact O-N 3.42Å | ||
| 307 | K | 25 | Very low | 27.8 | Very low | 205 Ų | 205 | 108.1 Ų | 108.1 | 89% | 0.891 | 55% | 0.548 | S | S | * | . | trans | -69 | 85.8 | 158.9 | -93 | -166 | 169.3 | -169 | 0 | 106.7 | K305 | K305-K307 PolarHBondContact O-N 3.34Å; K305-K307 VanDerWaalsContact O-N 3.09Å | ||
| 308 | S | 25 | Very low | 27.8 | Very low | 73 Ų | 73 | 113.2 Ų | 113.2 | 51% | 0.51 | 58% | 0.579 | S | S | . | * | trans | -51.7 | 135.3 | 152.1 | 34.8 | 0 | 0 | 0 | 0 | 107.8 | R306 E310 | R306-S308 PolarHBondContact O-N 3.42Å; S308-E310 VanDerWaalsContact C-N 3.33Å; S308-E310 PolarHBondContact O-N 2.76Å | ||
| 309 | I | 24.2 | Very low | 27.5 | Very low | 173 Ų | 173 | 120.6 Ų | 120.6 | 89% | 0.887 | 62% | 0.618 | S | S | * | * | trans | -72.3 | 99.9 | 164 | -64 | 171.2 | 0 | 0 | 0 | 104.8 | S311 | I309-S311 PolarHBondContact O-N 2.93Š| ||
| 310 | E | 25.4 | Very low | 27.6 | Very low | 154 Ų | 154 | 125 Ų | 125 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | trans | -72.5 | 116.3 | -179.1 | -69.2 | 178.1 | 154.5 | 0 | 0 | 109.5 | S308 | S308-E310 VanDerWaalsContact C-N 3.33Å; S308-E310 PolarHBondContact O-N 2.76Å | ||
| 311 | S | 23.6 | Very low | 27.6 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 48% | 0.476 | 68% | 0.683 | S | S | . | * | trans | -101.8 | 85.5 | 156.2 | 54.9 | 0 | 0 | 0 | 0 | 107.7 | I309 | I309-S311 PolarHBondContact O-N 2.93Š| ||
| 312 | T | 26.3 | Very low | 27.4 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | trans | -77.5 | 133.6 | -177.8 | -19.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 313 | Q | 29.3 | Very low | 27.4 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | -152.4 | 162.3 | 131.7 | -91.9 | -149.8 | -3.1 | 0 | 0 | 109.8 | W269 | W269-Q313 HydrophobicContact CH2-CB 3.52Å; W269-Q313 HydrophobicContact CH2-CG 3.41Å; W269-Q313 VanDerWaalsContact CH2-CG 3.41Å; W269-Q313 HydrophobicContact CZ2-CB 4.3Å; W269-Q313 HydrophobicContact CZ2-CG 3.67Å; W269-Q313 HydrophobicContact CZ3-CB 4.08Å; W269-Q313 HydrophobicContact CZ3-CG 4.31Å | ||
| 314 | A | 27.8 | Very low | 27.1 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | trans | -128.1 | 158.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 315 | V | 30 | Very low | 27 | Very low | 151 Ų | 151 | 137 Ų | 137 | 92% | 0.915 | 71% | 0.711 | S | S | * | * | trans | -128.7 | 135.9 | 160.5 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 316 | D | 29.2 | Very low | 27 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | trans | -85 | 150.2 | -176.6 | 163.9 | 54.2 | 0 | 0 | 0 | 112.6 | ||||
| 317 | K | 32.3 | Very low | 26.7 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 78% | 0.778 | 71% | 0.705 | S | S | * | * | 179.7 | 111.5 | 126.9 | -94.8 | 154.1 | -169.3 | 177.6 | 0 | 116.2 | |||||
| 318 | T | 31.6 | Very low | 26.8 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | trans | 63.9 | 124.1 | 134.2 | 60.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 319 | N | 27.9 | Very low | 26.6 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | 73.1 | 112.8 | 142.3 | -66.3 | -2.4 | 0 | 0 | 0 | 122.9 | ||||
| 320 | P | 34 | Very low | 26.7 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -102 | 178.7 | 162 | 40.7 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 321 | P | 28.3 | Very low | 26.7 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | -145.8 | 172.3 | 122.9 | 37.2 | -21.7 | 0 | 0 | 0 | 118 | |||||
| 322 | N | 24 | Very low | 26.6 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 54% | 0.535 | 74% | 0.74 | S | S | . | * | trans | -35.7 | 162.8 | 176.3 | -66 | -64.2 | 0 | 0 | 0 | 120.3 | R201 | R201-N322 PolarHBondContact NH1-OD1 3.15Š| ||
| 323 | W | 24.7 | Very low | 26.7 | Very low | 214 Ų | 214 | 142 Ų | 142 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | -159.5 | 140.7 | 115 | -86.2 | 111.1 | 0 | 0 | 0 | 113.3 | K202 | K202-W323 WeakPolarHBondContact CD-O 3.44Å; K202-W323 WeakPolarHBondContact CE-O 3.49Å; K202-W323 PolarHBondContact NZ-O 3.14Å | |||
| 324 | T | 22.4 | Very low | 26.5 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 42% | 0.423 | 75% | 0.748 | S | S | . | * | trans | -75.9 | 177.7 | 168.4 | 36.3 | 0 | 0 | 0 | 0 | 110.6 | K202 | K202-T324 PolarHBondContact NZ-O 3.08Å; K202-T324 VanDerWaalsContact NZ-O 3.16Å | ||
| 325 | F | 24.6 | Very low | 26.4 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -140.3 | 164.6 | 32.8 | -82 | -88.1 | 0 | 0 | 0 | 110.3 | ||||
| 326 | R | 23.3 | Very low | 26.5 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | 60.4 | 145.1 | 79.3 | -58 | -169 | 173.8 | -131.4 | 13.6 | 116.9 | |||||
| 327 | D | 22.6 | Very low | 26.3 | Very low | 116 Ų | 116 | 148 Ų | 148 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | cis | -161.4 | -163.4 | -17 | -92.5 | -18.3 | 0 | 0 | 0 | 108.5 | ||||
| 328 | E | 25.6 | Very low | 26.1 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | 77.6 | 121.1 | 176.2 | -53.7 | 177.9 | 162.4 | 0 | 0 | 115 | ||||
| 329 | E | 22.3 | Very low | 25.8 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | 70.9 | 137.1 | 54.7 | -58.3 | -154.6 | 137.2 | 0 | 0 | 112.9 | |||||
| 330 | V | 26 | Very low | 25.8 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | cis | -156.6 | 144.3 | 48.7 | 163.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 331 | A | 24.3 | Very low | 25.5 | Very low | 98 Ų | 98 | 149 Ų | 149 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | 54.1 | 166.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 332 | F | 22.1 | Very low | 25.4 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 89% | 0.886 | 76% | 0.757 | S | S | * | * | trans | -96.6 | 159 | -177.1 | -94.7 | -119.6 | 0 | 0 | 0 | 113.4 | ||||
| 333 | D | 27.7 | Very low | 25.6 | Very low | 134 Ų | 134 | 152.9 Ų | 152.9 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | -156.2 | -173.8 | 115.6 | -140.3 | -28.3 | 0 | 0 | 0 | 113 | |||||
| 334 | R | 26.2 | Very low | 25.7 | Very low | 220 Ų | 220 | 151.2 Ų | 151.2 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -77.2 | 161.4 | -158.7 | -75.3 | 162.6 | -139.9 | -150 | -0.5 | 117.4 | ||||
| 335 | P | 26.3 | Very low | 26 | Very low | 125 Ų | 125 | 159.3 Ų | 159.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -83.1 | 151.6 | -178.6 | 34.6 | -36.8 | 0 | 0 | 0 | 114.1 | ||||
| 336 | T | 30.7 | Very low | 26.2 | Very low | 132 Ų | 132 | 161.9 Ų | 161.9 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -120.2 | 151.7 | 166.9 | 38 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 337 | D | 24.7 | Very low | 26.3 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 130.8 | 178.4 | -67.4 | -77.6 | 0 | 0 | 0 | 112.3 | ||||
| 338 | L | 28.7 | Very low | 26.5 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -129.5 | 108.6 | 163.7 | -86.7 | 172.8 | 0 | 0 | 0 | 111.1 | L340 | L338-L340 PolarHBondContact O-N 3.12Š| ||
| 339 | L | 24.7 | Very low | 26.7 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -58.9 | 123.5 | 152.9 | -78 | 154 | 0 | 0 | 0 | 108 | ||||
| 340 | L | 29.7 | Very low | 27 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -120.1 | 107.3 | 163.6 | -128.9 | 76.3 | 0 | 0 | 0 | 109.5 | L338 | L338-L340 PolarHBondContact O-N 3.12Š| ||
| 341 | T | 25.9 | Very low | 27.1 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 66% | 0.663 | 79% | 0.786 | S | S | * | * | trans | -63.1 | -178.2 | 146.5 | 44.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 342 | D | 27.3 | Very low | 27.7 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | 65.6 | 96.3 | 163.9 | -47 | -53.6 | 0 | 0 | 0 | 116.1 | ||||
| 343 | L | 28.7 | Very low | 28.7 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | -166.9 | 104.8 | 103.4 | -98.4 | 166.1 | 0 | 0 | 0 | 110.3 | R345 | L343-R345 PolarHBondContact O-N 3.25Š| |||
| 344 | L | 26.2 | Very low | 29.5 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 94% | 0.937 | 72% | 0.721 | S | S | * | * | trans | -78 | 115.8 | 167.1 | -73.9 | 169.2 | 0 | 0 | 0 | 109.4 | ||||
| 345 | R | 28.4 | Very low | 30.2 | Very low | 239 Ų | 239 | 122.5 Ų | 122.5 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | trans | -150.6 | 117.4 | 155.1 | -170.3 | 163.5 | 175.4 | 162.2 | -3.5 | 110.7 | L343 | L343-R345 PolarHBondContact O-N 3.25Š| ||
| 346 | E | 28.3 | Very low | 30.6 | Very low | 199 Ų | 199 | 120.9 Ų | 120.9 | 93% | 0.93 | 68% | 0.675 | S | S | * | * | trans | -73.3 | 139.6 | 177.3 | -61 | -171.7 | 131.9 | 0 | 0 | 110.9 | ||||
| 347 | G | 27 | Very low | 30.9 | Very low | 53 Ų | 53 | 116.1 Ų | 116.1 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | trans | -151.8 | 104.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I349 | G347-I349 PolarHBondContact O-N 3.13Š| ||
| 348 | S | 26.5 | Very low | 31.2 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 92% | 0.923 | 67% | 0.668 | S | S | * | * | trans | -83.9 | 108.4 | 176.8 | -167 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 349 | I | 29.6 | Very low | 31.3 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 54% | 0.544 | 66% | 0.662 | S | S | . | * | trans | -139.1 | 137.4 | 179.9 | -36.2 | 178.8 | 0 | 0 | 0 | 108.8 | N280 G347 | N280-I349 VanDerWaalsContact CG-CG2 3.46Å; N280-I349 VanDerWaalsContact ND2-CG2 3.3Å; N280-I349 WeakPolarHBondContact ND2-CG2 3.37Å; N280-I349 VanDerWaalsContact OD1-CG2 3.23Å; N280-I349 WeakPolarHBondContact OD1-CG2 3.47Å; G347-I349 PolarHBondContact O-N 3.13Å | ||
| 350 | G | 28.5 | Very low | 31.7 | Very low | 57 Ų | 57 | 119.6 Ų | 119.6 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | trans | -113 | -160.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 351 | G | 28.4 | Very low | 31.8 | Very low | 62 Ų | 62 | 118 Ų | 118 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | trans | 81.1 | 85 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 352 | S | 35.7 | Very low | 32.1 | Very low | 30 Ų | 30 | 118.6 Ų | 118.6 | 21% | 0.21 | 64% | 0.641 | C | S | . | * | trans | -165.8 | 145.4 | 153.7 | 72.8 | 0 | 0 | 0 | 0 | 111.9 | K146 G282 C354 | K146-S352 PolarHBondContact NZ-O 2.69Å; G282-S352 WeakPolarHBondContact CA-OG 3.37Å; G282-S352 PolarHBondContact O-OG 2.99Å; S352-C354 VanDerWaalsContact C-N 3.35Å; S352-C354 PolarHBondContact O-N 2.88Å | ||
| 353 | D | 43.4 | Very low | 32.4 | Very low | 145 Ų | 145 | 117.9 Ų | 117.9 | 78% | 0.775 | 64% | 0.638 | S | S | * | * | trans | -81 | 66.4 | -171.5 | -64.1 | -42.8 | 0 | 0 | 0 | 114 | ||||
| 354 | C | 45.4 | Very low | 32.7 | Very low | 7 Ų | 7 | 114.1 Ų | 114.1 | 5% | 0.047 | 62% | 0.619 | C | S | . | * | S | Bend | trans | -84.1 | 172 | 157.8 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | P68 C70 C284 S352 F356 | P68-C354 CarbonylContact O-C 3.53Å; P68-C354 WeakPolarHBondContact O-CA 3.49Å; C70-C354 HydrophobicContact CB-CB 4.35Å; C70-C354 WeakPolarHBondContact SG-CB 3.47Å; C284-C354 HydrophobicContact CB-CB 3.89Å; C284-C354 WeakPolarHBondContact CB-SG 3.29Å; C284-C354 WeakPolarHBondContact SG-CA 3.42Å; C284-C354 WeakPolarHBondContact SG-CB 3.3Å; C284-C354 PolarHBondContact SG-N 2.89Å; C284-C354 CovalentContact SG-SG 2.04Å; C284-C354 PolarHBondContact SG-SG 3.43Å; S352-C354 VanDerWaalsContact C-N 3.35Å; S352-C354 PolarHBondContact O-N 2.88Å; C354-F356 VanDerWaalsContact O-CD2 3.27Å; C354-F356 WeakPolarHBondContact O-CD2 3.41Å; C354-F356 PolarHBondContact O-N 2.98Å; C354-F356 VanDerWaalsContact O-N 3.13Å |
| 355 | L | 40.2 | Very low | 33.1 | Very low | 55 Ų | 55 | 109.4 Ų | 109.4 | 29% | 0.288 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 116.6 | 174.6 | -85.7 | 165.9 | 0 | 0 | 0 | 113 | R67 P68 L147 | R67-L355 HydrophobicContact CB-CD1 4.16Å; R67-L355 HydrophobicContact CB-CD2 3.71Å; R67-L355 HydrophobicContact CB-CG 3.67Å; R67-L355 HydrophobicContact CG-CD2 4.36Å; P68-L355 PolarHBondContact O-N 3.2Å; L147-L355 HydrophobicContact CB-CB 4.3Å; L147-L355 HydrophobicContact CD1-CB 4.23Å; L147-L355 PolarHBondContact N-O 3.46Å |
| 356 | F | 34.5 | Very low | 33.5 | Very low | 90 Ų | 90 | 99.5 Ų | 99.5 | 40% | 0.395 | 57% | 0.573 | S | S | . | * | B | Isolated β-bridge | trans | -82.6 | 144.4 | 163.8 | -67.3 | -97.4 | 0 | 0 | 0 | 110 | E145 K146 C354 | E145-F356 HydrophobicContact CB-CD1 3.82Å; E145-F356 HydrophobicContact CB-CE1 4.4Å; E145-F356 CarbonylContact O-C 3.6Å; E145-F356 WeakPolarHBondContact O-CA 3.44Å; K146-F356 HydrophobicContact CG-CD1 4.38Å; K146-F356 HydrophobicContact CG-CE1 4.32Å; C354-F356 VanDerWaalsContact O-CD2 3.27Å; C354-F356 WeakPolarHBondContact O-CD2 3.41Å; C354-F356 PolarHBondContact O-N 2.98Å; C354-F356 VanDerWaalsContact O-N 3.13Å |
| 357 | G | 36.3 | Very low | 33.9 | Very low | 33 Ų | 33 | 91.2 Ų | 91.2 | 34% | 0.34 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 151.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E145 | E145-G357 PolarHBondContact O-N 2.9Š|
| 358 | R | 31.8 | Very low | 34.6 | Very low | 324 Ų | 324 | 94.6 Ų | 94.6 | 100% | 1.223 | 54% | 0.543 | S | S | * | . | trans | -127.5 | 0 | 166.4 | -78.7 | -171.8 | 173.4 | -166.6 | -1.8 | 108.4 |
Retrieved 358 of 358 residues in 305.1 ms
(Link to these results)