| 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 | 61.7 | Low | 85.7 | Confident | 165 Ų | 165 | 59.8 Ų | 59.8 | 81% | 0.813 | 30% | 0.303 | S | S | * | . | 0 | 106.1 | 0 | -67.9 | -149.3 | 173 | 0 | 0 | 109.1 | |||||
| 2 | S | 81.7 | Confident | 85.8 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | trans | -122.6 | -12.3 | -175.5 | 62.1 | 0 | 0 | 0 | 0 | 115 | F4 K5 C7 G406 D408 | S2-F4 PolarHBondContact O-N 2.98Å; S2-K5 WeakPolarHBondContact O-CB 3.49Å; S2-K5 PolarHBondContact O-N 2.91Å; S2-C7 VanDerWaalsContact CB-SG 3.53Å; S2-G406 CarbonylContact O-C 3.55Å; S2-G406 VanDerWaalsContact O-CA 3.3Å; S2-G406 WeakPolarHBondContact O-CA 3.2Å; S2-D408 WeakPolarHBondContact OG-CB 3.28Å | ||
| 3 | L | 87.1 | Confident | 85.4 | Confident | 56 Ų | 56 | 59.8 Ų | 59.8 | 29% | 0.293 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 131.1 | 178.7 | -166.1 | 72.4 | 0 | 0 | 0 | 112 | K5 W351 G406 T407 D408 P409 | L3-K5 PolarHBondContact O-N 2.95Å; L3-W351 HydrophobicContact CD1-CH2 3.91Å; L3-W351 HydrophobicContact CD1-CZ2 4.01Å; L3-G406 WeakPolarHBondContact CA-O 3.46Å; L3-T407 WeakPolarHBondContact CD1-O 3.24Å; L3-D408 WeakPolarHBondContact CB-O 3.17Å; L3-D408 PolarHBondContact N-O 2.77Å; L3-D408 VanDerWaalsContact N-O 3.17Å; L3-P409 HydrophobicContact CD2-CB 4.02Å |
| 4 | F | 88.7 | Confident | 84.1 | Confident | 105 Ų | 105 | 56.9 Ų | 56.9 | 46% | 0.461 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 28.9 | -178.6 | -49.7 | -55.2 | 0 | 0 | 0 | 113.6 | S2 W351 S352 A353 L354 G406 | S2-F4 PolarHBondContact O-N 2.98Å; F4-W351 HydrophobicContact CD1-CD2 4.33Å; F4-W351 AromaticContact CD1-CE2 3.72Å; F4-W351 HydrophobicContact CD1-CH2 4.18Å; F4-W351 AromaticContact CD1-CZ2 3.65Å; F4-W351 HydrophobicContact CD1-CZ2 3.65Å; F4-W351 HydrophobicContact CE1-CD2 4.25Å; F4-W351 AromaticContact CE1-CE2 3.94Å; F4-W351 HydrophobicContact CE1-CE3 4.26Å; F4-W351 AromaticContact CE1-CH2 3.69Å; F4-W351 HydrophobicContact CE1-CH2 3.69Å; F4-W351 AromaticContact CE1-CZ2 3.66Å; F4-W351 HydrophobicContact CE1-CZ2 3.66Å; F4-W351 AromaticContact CE1-CZ3 4Å; F4-W351 HydrophobicContact CE1-CZ3 4Å; F4-W351 HydrophobicContact CZ-CH2 4.48Å; F4-S352 WeakPolarHBondContact CB-O 3.08Å; F4-S352 VanDerWaalsContact CD1-O 3.3Å; F4-S352 WeakPolarHBondContact CD1-O 3.08Å; F4-A353 CarbonylContact O-C 3.56Å; F4-A353 VanDerWaalsContact O-CA 3.28Å; F4-A353 WeakPolarHBondContact O-CA 3.12Å; F4-L354 PolarHBondContact O-N 2.88Å; F4-G406 PolarHBondContact N-O 3.15Å |
| 5 | K | 89.7 | Confident | 82.5 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -123.1 | 149.9 | 168.6 | -61 | -177.1 | -179.2 | 179.8 | 0 | 109.6 | S2 L3 G406 | S2-K5 WeakPolarHBondContact O-CB 3.49Å; S2-K5 PolarHBondContact O-N 2.91Å; L3-K5 PolarHBondContact O-N 2.95Å; K5-G406 WeakPolarHBondContact O-CA 3.44Å; K5-G406 PolarHBondContact O-N 3.45Å |
| 6 | I | 89.6 | Confident | 80.7 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.3 | 168.1 | -75.6 | 161.6 | 0 | 0 | 0 | 108.5 | L341 A353 L354 L355 L405 | I6-L341 HydrophobicContact CD1-CB 3.62Å; I6-L341 HydrophobicContact CD1-CD2 3.56Å; I6-L341 HydrophobicContact CD1-CG 4.17Å; I6-L341 HydrophobicContact CG1-CD2 4.31Å; I6-A353 HydrophobicContact CD1-CB 4.24Å; I6-A353 HydrophobicContact CG1-CB 3.81Å; I6-L354 PolarHBondContact N-O 3.26Å; I6-L354 VanDerWaalsContact N-O 3.14Å; I6-L355 HydrophobicContact CB-CD2 4.5Å; I6-L355 HydrophobicContact CD1-CD2 3.19Å; I6-L355 HydrophobicContact CD1-CG 3.66Å; I6-L355 HydrophobicContact CG1-CD2 4.41Å; I6-L405 HydrophobicContact CG1-CD2 4.19Å |
| 7 | C | 89.3 | Confident | 79.1 | Confident | 24 Ų | 24 | 65 Ų | 65 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.7 | -179.6 | -63.4 | 0 | 0 | 0 | 0 | 109.1 | S2 S403 Y404 | S2-C7 VanDerWaalsContact CB-SG 3.53Å; C7-S403 CarbonylContact O-C 3.5Å; C7-S403 WeakPolarHBondContact O-CA 3.32Å; C7-S403 VanDerWaalsContact O-CB 3.32Å; C7-S403 WeakPolarHBondContact O-CB 3.49Å; C7-Y404 HydrophobicContact CB-CD1 4.13Å; C7-Y404 HydrophobicContact CB-CD2 4.02Å; C7-Y404 HydrophobicContact CB-CE1 3.61Å; C7-Y404 HydrophobicContact CB-CE2 3.49Å; C7-Y404 VanDerWaalsContact CB-CE2 3.49Å; C7-Y404 HydrophobicContact CB-CG 4.32Å; C7-Y404 WeakPolarHBondContact CB-OH 3.32Å; C7-Y404 PolarHBondContact N-O 2.84Å; C7-Y404 VanDerWaalsContact O-CD1 3.26Å; C7-Y404 WeakPolarHBondContact O-CD1 3.38Å; C7-Y404 PolarHBondContact O-N 2.81Å |
| 8 | D | 88.8 | Confident | 77.6 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.4 | -178.7 | -57.7 | -25.2 | 0 | 0 | 0 | 109.5 | L402 S403 | D8-L402 WeakPolarHBondContact CA-O 3.43Å; D8-S403 WeakPolarHBondContact OD1-CB 3.46Å; D8-S403 PolarHBondContact OD1-OG 3.2Å |
| 9 | I | 88.2 | Confident | 76.3 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 35% | 0.354 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -28.4 | 173.4 | -164.4 | 169.7 | 0 | 0 | 0 | 112 | F386 L390 L402 Y404 | I9-F386 HydrophobicContact CD1-CD1 4.18Å; I9-F386 HydrophobicContact CD1-CE1 4.06Å; I9-F386 HydrophobicContact CG1-CE1 4.09Å; I9-F386 HydrophobicContact CG2-CD1 4.22Å; I9-F386 HydrophobicContact CG2-CE1 3.84Å; I9-L390 HydrophobicContact CG2-CD1 4.09Å; I9-L390 HydrophobicContact CG2-CD2 4.19Å; I9-L402 HydrophobicContact CG2-CB 3.87Å; I9-L402 WeakPolarHBondContact CG2-O 3.29Å; I9-L402 PolarHBondContact N-O 2.72Å; I9-Y404 HydrophobicContact CB-CD1 4.19Å; I9-Y404 HydrophobicContact CB-CE1 4.2Å |
| 10 | W | 90 | Very high | 75.1 | Confident | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.015 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.8 | 175.3 | 175.1 | 91.4 | 0 | 0 | 0 | 108.9 | I40 F52 P54 D74 F386 I400 T401 L402 | W10-I40 HydrophobicContact CZ3-CD1 4.34Å; W10-F52 HydrophobicContact CH2-CB 4.45Å; W10-F52 HydrophobicContact CH2-CD1 4.08Å; W10-F52 HydrophobicContact CH2-CG 4.23Å; W10-F52 HydrophobicContact CZ2-CD1 4.22Å; W10-P54 HydrophobicContact CD2-CB 3.81Å; W10-P54 HydrophobicContact CE3-CB 4.4Å; W10-P54 HydrophobicContact CG-CB 4.06Å; W10-P54 HydrophobicContact CZ2-CB 3.96Å; W10-D74 HydrophobicContact CZ2-CB 4.08Å; W10-D74 PolarHBondContact NE1-OD2 3.39Å; W10-F386 HydrophobicContact CB-CE1 4.5Å; W10-F386 HydrophobicContact CB-CZ 4.01Å; W10-I400 HydrophobicContact CZ3-CB 4.4Å; W10-I400 HydrophobicContact CZ3-CG2 4.09Å; W10-T401 CarbonylContact O-C 3.6Å; W10-T401 VanDerWaalsContact O-CA 3.29Å; W10-T401 WeakPolarHBondContact O-CA 3.44Å; W10-L402 HydrophobicContact CB-CB 4.04Å; W10-L402 HydrophobicContact CB-CD1 4.07Å; W10-L402 HydrophobicContact CB-CG 4.29Å; W10-L402 HydrophobicContact CD2-CD1 4.45Å; W10-L402 HydrophobicContact CD2-CG 4.49Å; W10-L402 HydrophobicContact CE3-CB 4.46Å; W10-L402 HydrophobicContact CE3-CD1 4.27Å; W10-L402 HydrophobicContact CE3-CG 3.88Å; W10-L402 HydrophobicContact CG-CD1 4.41Å; W10-L402 PolarHBondContact N-O 3.37Å; W10-L402 PolarHBondContact O-N 2.89Å |
| 11 | S | 87.6 | Confident | 74.3 | Confident | 29 Ų | 29 | 77.8 Ų | 77.8 | 20% | 0.203 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 143.6 | 171.5 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | R399 I400 | S11-R399 VanDerWaalsContact CB-NH2 3.32Å; S11-R399 PolarHBondContact OG-NH2 2.83Å; S11-I400 CarbonylContact C-O 3.57Å; S11-I400 VanDerWaalsContact CA-O 3.23Å; S11-I400 WeakPolarHBondContact CA-O 3.38Å |
| 12 | S | 86.9 | Confident | 74.9 | Confident | 27 Ų | 27 | 72.2 Ų | 72.2 | 19% | 0.189 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.4 | 169.2 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | I400 | S12-I400 PolarHBondContact N-O 3.12Å; S12-I400 PolarHBondContact O-N 2.75Å |
| 13 | Q | 80.9 | Confident | 75.2 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.4 | 175.7 | 179.6 | 69.9 | 43.2 | 0 | 0 | 107.9 | N397 | Q13-N397 PolarHBondContact NE2-O 2.76Å |
| 14 | L | 66.9 | Low | 75.2 | Confident | 19 Ų | 19 | 70.9 Ų | 70.9 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | trans | -92.4 | 141.7 | 172.5 | -73.1 | 148 | 0 | 0 | 0 | 108.9 | F42 F52 I400 | L14-F42 HydrophobicContact CB-CE1 4.08Å; L14-F42 HydrophobicContact CD1-CD1 3.35Å; L14-F42 HydrophobicContact CD1-CE1 3.55Å; L14-F42 HydrophobicContact CD1-CG 4.04Å; L14-F42 HydrophobicContact CD1-CZ 4.39Å; L14-F42 HydrophobicContact CG-CD1 4.49Å; L14-F42 HydrophobicContact CG-CE1 4.38Å; L14-F52 HydrophobicContact CD1-CE2 3.45Å; L14-F52 VanDerWaalsContact CD1-CE2 3.45Å; L14-F52 HydrophobicContact CD1-CZ 3.37Å; L14-F52 HydrophobicContact CD2-CZ 3.87Å; L14-F52 HydrophobicContact CG-CE2 4.44Å; L14-F52 HydrophobicContact CG-CZ 3.88Å; L14-I400 HydrophobicContact CD1-CD1 3.73Å | ||
| 15 | H | 60.2 | Low | 75.4 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 47% | 0.468 | 36% | 0.355 | S | S | . | . | trans | 16.6 | 128.5 | 177.6 | -71.2 | -62.1 | 0 | 0 | 0 | 119 | T17 | H15-T17 HydrophobicContact CB-CG2 4.1Å; H15-T17 PolarHBondContact O-N 3.28Å | ||
| 16 | T | 54 | Low | 75.5 | Confident | 141 Ų | 141 | 65 Ų | 65 | 87% | 0.865 | 35% | 0.348 | S | S | * | . | trans | -70.7 | 74.6 | 168.5 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 17 | T | 53.5 | Low | 75.7 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | trans | -106.1 | 152.1 | 172.1 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | H15 D21 | H15-T17 HydrophobicContact CB-CG2 4.1Å; H15-T17 PolarHBondContact O-N 3.28Å; T17-D21 WeakPolarHBondContact CB-OD2 3.42Å; T17-D21 PolarHBondContact OG1-OD2 2.77Å | ||
| 18 | N | 52.2 | Low | 75.8 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 75% | 0.749 | 34% | 0.34 | S | S | * | . | trans | -55.1 | 147.1 | -173.1 | -69.3 | -34.2 | 0 | 0 | 0 | 111 | E20 D21 | N18-E20 PolarHBondContact O-N 3.31Å; N18-D21 PolarHBondContact O-N 3.08Å | ||
| 19 | F | 52 | Low | 75.7 | Confident | 156 Ų | 156 | 62.1 Ų | 62.1 | 68% | 0.684 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 13.3 | -167.8 | -69.1 | -83.6 | 0 | 0 | 0 | 118.1 | ||
| 20 | E | 52.2 | Low | 75.7 | Confident | 182 Ų | 182 | 58.8 Ų | 58.8 | 85% | 0.85 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | 5.8 | -172.8 | -60.2 | -162 | 154.4 | 0 | 0 | 114.4 | N18 | N18-E20 PolarHBondContact O-N 3.31Š|
| 21 | D | 59.9 | Low | 75.3 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | trans | -72.6 | 132.4 | -179.9 | -75.7 | -28.7 | 0 | 0 | 0 | 112.8 | T17 N18 F23 S45 | T17-D21 WeakPolarHBondContact CB-OD2 3.42Å; T17-D21 PolarHBondContact OG1-OD2 2.77Å; N18-D21 PolarHBondContact O-N 3.08Å; D21-F23 HydrophobicContact CB-CE1 3.97Å; D21-F23 HydrophobicContact CB-CE2 4.22Å; D21-F23 HydrophobicContact CB-CZ 3.72Å; D21-F23 VanDerWaalsContact O-CD2 3.22Å; D21-F23 WeakPolarHBondContact O-CD2 3.31Å; D21-F23 VanDerWaalsContact O-CE2 3.3Å; D21-F23 WeakPolarHBondContact O-CE2 3.49Å; D21-F23 PolarHBondContact O-N 3.29Å; D21-S45 WeakPolarHBondContact CB-OG 3.22Å; D21-S45 PolarHBondContact OD1-OG 3.28Å | ||
| 22 | G | 74.2 | Confident | 74.6 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | trans | -72.5 | 121.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | S45 | G22-S45 WeakPolarHBondContact O-CB 3.35Å; G22-S45 PolarHBondContact O-N 3.34Å | ||
| 23 | F | 86.7 | Confident | 73.7 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 145.2 | 178.1 | -57.3 | -67 | 0 | 0 | 0 | 110.4 | D21 F42 G43 T44 I360 L394 | D21-F23 HydrophobicContact CB-CE1 3.97Å; D21-F23 HydrophobicContact CB-CE2 4.22Å; D21-F23 HydrophobicContact CB-CZ 3.72Å; D21-F23 VanDerWaalsContact O-CD2 3.22Å; D21-F23 WeakPolarHBondContact O-CD2 3.31Å; D21-F23 VanDerWaalsContact O-CE2 3.3Å; D21-F23 WeakPolarHBondContact O-CE2 3.49Å; D21-F23 PolarHBondContact O-N 3.29Å; F23-F42 HydrophobicContact CB-CE2 3.87Å; F23-F42 HydrophobicContact CB-CZ 4.25Å; F23-F42 HydrophobicContact CD1-CE1 4.29Å; F23-F42 AromaticContact CD1-CE2 3.9Å; F23-F42 HydrophobicContact CD1-CE2 3.9Å; F23-F42 AromaticContact CD1-CZ 3.37Å; F23-F42 HydrophobicContact CD1-CZ 3.37Å; F23-F42 AromaticContact CE1-CZ 3.91Å; F23-F42 HydrophobicContact CE1-CZ 3.91Å; F23-F42 HydrophobicContact CG-CE2 4.07Å; F23-F42 AromaticContact CG-CZ 3.98Å; F23-F42 HydrophobicContact CG-CZ 3.98Å; F23-G43 WeakPolarHBondContact CA-O 3.44Å; F23-T44 HydrophobicContact CD1-CG2 4.14Å; F23-T44 HydrophobicContact CE1-CG2 4.22Å; F23-I360 HydrophobicContact CD2-CD1 3.59Å; F23-I360 HydrophobicContact CE2-CD1 4.19Å; F23-L394 HydrophobicContact CB-CD2 3.7Å |
| 24 | C | 88.3 | Confident | 73.3 | Confident | 19 Ų | 19 | 66.3 Ų | 66.3 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.3 | 169.3 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | G43 I88 | C24-G43 PolarHBondContact N-O 3.15Å; C24-G43 PolarHBondContact O-N 2.76Å; C24-I88 VanDerWaalsContact SG-CD1 3.56Å |
| 25 | L | 92.3 | Very high | 73.5 | Confident | 16 Ų | 16 | 72.2 Ų | 72.2 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 128.7 | -176.6 | 179.3 | 83.7 | 0 | 0 | 0 | 108.4 | I40 L41 R361 V392 L394 | L25-I40 HydrophobicContact CD1-CG2 3.5Å; L25-L41 WeakPolarHBondContact CA-O 3.41Å; L25-R361 HydrophobicContact CB-CB 4.25Å; L25-R361 HydrophobicContact CB-CG 4.16Å; L25-R361 HydrophobicContact CD2-CB 4.21Å; L25-R361 HydrophobicContact CD2-CG 4.15Å; L25-V392 HydrophobicContact CD1-CG1 4.22Å; L25-V392 HydrophobicContact CD2-CG1 3.74Å; L25-L394 HydrophobicContact CB-CD2 4.26Å; L25-L394 HydrophobicContact CD2-CB 4.31Å |
| 26 | K | 92.7 | Very high | 74.3 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.7 | 174.5 | -174.8 | 71.2 | 175.2 | -157.2 | 0 | 109.7 | L41 I88 D89 | K26-L41 HydrophobicContact CB-CB 4.41Å; K26-L41 PolarHBondContact N-O 2.9Å; K26-L41 PolarHBondContact O-N 3.11Å; K26-I88 HydrophobicContact CB-CB 4.41Å; K26-I88 HydrophobicContact CB-CG2 4.4Å; K26-D89 WeakPolarHBondContact CE-OD1 3.49Å; K26-D89 IonicContact NZ-OD1 2.66Å; K26-D89 PolarHBondContact NZ-OD1 2.92Å |
| 27 | L | 93.2 | Very high | 75.8 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.9 | 166 | -59.8 | -176.9 | 0 | 0 | 0 | 108.3 | Y38 F39 I40 S363 I382 V392 | L27-Y38 HydrophobicContact CB-CD1 3.92Å; L27-F39 WeakPolarHBondContact CA-O 3.29Å; L27-I40 HydrophobicContact CD2-CB 4.1Å; L27-I40 HydrophobicContact CD2-CG1 3.76Å; L27-I40 HydrophobicContact CD2-CG2 4.09Å; L27-S363 VanDerWaalsContact CD1-OG 3.32Å; L27-S363 WeakPolarHBondContact CD1-OG 3.5Å; L27-S363 WeakPolarHBondContact CG-OG 3.45Å; L27-I382 HydrophobicContact CD1-CD1 4.03Å; L27-V392 HydrophobicContact CD1-CB 4.41Å; L27-V392 HydrophobicContact CD1-CG2 3.93Å; L27-V392 HydrophobicContact CD2-CG2 3.9Å; L27-V392 HydrophobicContact CG-CG2 4.48Å |
| 28 | S | 90.5 | Very high | 77.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 139.4 | 176.5 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | L30 F39 C90 Q101 | S28-L30 PolarHBondContact O-N 3.33Å; S28-F39 PolarHBondContact N-O 2.81Å; S28-F39 PolarHBondContact O-N 3.29Å; S28-C90 WeakPolarHBondContact OG-CB 3.3Å; S28-Q101 PolarHBondContact OG-OE1 3.19Å; S28-Q101 VanDerWaalsContact OG-OE1 3.13Å |
| 29 | P | 88.3 | Confident | 79.5 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 14% | 0.143 | 28% | 0.277 | C | S | . | . | trans | -77.4 | 80.1 | 163.8 | 33.7 | -29 | 0 | 0 | 0 | 108.4 | H31 K35 Q37 Y38 | P29-H31 PolarHBondContact O-N 2.88Å; P29-H31 VanDerWaalsContact O-N 3.13Å; P29-K35 WeakPolarHBondContact CB-O 2.8Å; P29-Q37 WeakPolarHBondContact CA-O 3.05Å; P29-Y38 HydrophobicContact CB-CE2 4.32Å; P29-Y38 HydrophobicContact CG-CE1 4.23Å; P29-Y38 HydrophobicContact CG-CE2 4.46Å | ||
| 30 | L | 86.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -55.5 | -33.5 | -177.4 | -70.1 | 177.6 | 0 | 0 | 0 | 111.6 | S28 F39 L41 I51 C90 Y100 Q101 I103 F116 | S28-L30 PolarHBondContact O-N 3.33Å; L30-F39 HydrophobicContact CB-CD2 3.97Å; L30-F39 HydrophobicContact CB-CE2 4.32Å; L30-F39 HydrophobicContact CB-CG 4.45Å; L30-F39 HydrophobicContact CD1-CB 3.9Å; L30-F39 HydrophobicContact CD1-CD1 4.28Å; L30-F39 HydrophobicContact CD1-CD2 4.26Å; L30-F39 HydrophobicContact CD1-CG 3.89Å; L30-F39 HydrophobicContact CG-CB 4.2Å; L30-F39 HydrophobicContact CG-CD2 4.23Å; L30-F39 HydrophobicContact CG-CG 4.27Å; L30-L41 HydrophobicContact CD1-CD1 4.18Å; L30-L41 HydrophobicContact CD2-CD1 4.35Å; L30-L41 HydrophobicContact CD2-CD2 4.42Å; L30-L41 HydrophobicContact CG-CD1 4.29Å; L30-I51 HydrophobicContact CD1-CG2 4.29Å; L30-C90 HydrophobicContact CD2-CB 4.17Å; L30-Y100 HydrophobicContact CB-CD1 4.38Å; L30-Y100 CarbonylContact O-C 3.59Å; L30-Y100 WeakPolarHBondContact O-CA 3.31Å; L30-Q101 PolarHBondContact O-N 3.3Å; L30-I103 HydrophobicContact CD1-CD1 4.29Å; L30-I103 HydrophobicContact CD2-CD1 4.25Å; L30-I103 HydrophobicContact CD2-CG1 3.92Å; L30-F116 HydrophobicContact CB-CD1 4.48Å; L30-F116 HydrophobicContact CD1-CD1 3.78Å; L30-F116 HydrophobicContact CD1-CE1 3.88Å; L30-F116 HydrophobicContact CD1-CG 4.43Å | ||
| 31 | H | 82.6 | Confident | 83.5 | Confident | 26 Ų | 26 | 39 Ų | 39 | 12% | 0.12 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -81.2 | 119 | 179.2 | -164.5 | -52.1 | 0 | 0 | 0 | 111.3 | P29 L33 H34 Y100 | P29-H31 PolarHBondContact O-N 2.88Å; P29-H31 VanDerWaalsContact O-N 3.13Å; H31-L33 VanDerWaalsContact C-N 3.33Å; H31-L33 PolarHBondContact ND1-N 3.16Å; H31-L33 VanDerWaalsContact ND1-N 3.11Å; H31-L33 PolarHBondContact O-N 3.18Å; H31-H34 HydrophobicContact CB-CB 4.23Å; H31-H34 AromaticContact CE1-CD2 3.92Å; H31-H34 AromaticContact ND1-CD2 3.94Å; H31-H34 PolarHBondContact ND1-N 3.33Å; H31-H34 AromaticContact NE2-CD2 4Å; H31-H34 CarbonylContact O-C 3.55Å; H31-H34 PolarHBondContact O-N 2.77Å; H31-Y100 HydrophobicContact CB-CD1 4.16Å; H31-Y100 HydrophobicContact CB-CE1 4Å; H31-Y100 AromaticContact CD2-CE1 3.55Å; H31-Y100 AromaticContact CD2-CZ 3.61Å |
| 32 | N | 73.1 | Confident | 85 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 20% | 0.198 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -64 | -32.9 | -175.5 | -80.4 | -36.6 | 0 | 0 | 0 | 113.7 | K35 S98 Q99 Q101 | N32-K35 WeakPolarHBondContact O-CE 3.45Å; N32-K35 WeakPolarHBondContact O-CG 3.22Å; N32-S98 PolarHBondContact ND2-O 2.91Å; N32-Q99 WeakPolarHBondContact CB-O 3.4Å; N32-Q99 PolarHBondContact N-O 3.25Å; N32-Q101 VanDerWaalsContact OD1-CG 3.29Å; N32-Q101 WeakPolarHBondContact OD1-CG 3.24Å |
| 33 | L | 66.8 | Low | 85.9 | Confident | 142 Ų | 142 | 34.4 Ų | 34.4 | 74% | 0.743 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -77.9 | -47 | 173.9 | -56.3 | 174.5 | 0 | 0 | 0 | 113.5 | H31 K35 | H31-L33 VanDerWaalsContact C-N 3.33Å; H31-L33 PolarHBondContact ND1-N 3.16Å; H31-L33 VanDerWaalsContact ND1-N 3.11Å; H31-L33 PolarHBondContact O-N 3.18Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.07Å; L33-K35 VanDerWaalsContact O-N 3.14Å |
| 34 | H | 72.2 | Confident | 86 | Confident | 104 Ų | 104 | 33.2 Ų | 33.2 | 48% | 0.481 | 16% | 0.164 | S | C | . | . | trans | -90.2 | 62.1 | -177.9 | -67.9 | -73.9 | 0 | 0 | 0 | 112.4 | H31 S36 Q37 | H31-H34 HydrophobicContact CB-CB 4.23Å; H31-H34 AromaticContact CE1-CD2 3.92Å; H31-H34 AromaticContact ND1-CD2 3.94Å; H31-H34 PolarHBondContact ND1-N 3.33Å; H31-H34 AromaticContact NE2-CD2 4Å; H31-H34 CarbonylContact O-C 3.55Å; H31-H34 PolarHBondContact O-N 2.77Å; H34-S36 PolarHBondContact O-N 2.9Å; H34-Q37 PolarHBondContact O-N 3.37Å | ||
| 35 | K | 72.7 | Confident | 86 | Confident | 143 Ų | 143 | 33.9 Ų | 33.9 | 62% | 0.622 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15 | -176.7 | -65.8 | -171.7 | 178.6 | -179.2 | 0 | 115.1 | P29 N32 L33 | P29-K35 WeakPolarHBondContact CB-O 2.8Å; N32-K35 WeakPolarHBondContact O-CE 3.45Å; N32-K35 WeakPolarHBondContact O-CG 3.22Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.07Å; L33-K35 VanDerWaalsContact O-N 3.14Å |
| 36 | S | 76.9 | Confident | 85.7 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -18.7 | 177.2 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | H34 P380 F381 | H34-S36 PolarHBondContact O-N 2.9Å; S36-P380 CarbonylContact O-C 3.59Å; S36-P380 VanDerWaalsContact O-CA 3.27Å; S36-P380 WeakPolarHBondContact O-CA 3.38Å; S36-F381 PolarHBondContact O-N 2.99Å; S36-F381 VanDerWaalsContact O-O 3.12Å |
| 37 | Q | 85.1 | Confident | 85.6 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 114.5 | -175.5 | -177.7 | 176.8 | -5.8 | 0 | 0 | 110.7 | P29 H34 L53 F381 G383 L384 | P29-Q37 WeakPolarHBondContact CA-O 3.05Å; H34-Q37 PolarHBondContact O-N 3.37Å; Q37-L53 HydrophobicContact CG-CD1 4.17Å; Q37-F381 HydrophobicContact CB-CE2 4.02Å; Q37-F381 HydrophobicContact CB-CZ 4.03Å; Q37-F381 HydrophobicContact CG-CE2 3.92Å; Q37-F381 HydrophobicContact CG-CZ 4.39Å; Q37-G383 WeakPolarHBondContact CG-O 3.46Å; Q37-L384 VanDerWaalsContact NE2-CD2 3.26Å |
| 38 | Y | 90.8 | Very high | 85.5 | Confident | 41 Ų | 41 | 33.4 Ų | 33.4 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.7 | -178 | -77.5 | -109.1 | 0 | 0 | 0 | 111.9 | L27 P29 P365 P380 F381 G383 | L27-Y38 HydrophobicContact CB-CD1 3.92Å; P29-Y38 HydrophobicContact CB-CE2 4.32Å; P29-Y38 HydrophobicContact CG-CE1 4.23Å; P29-Y38 HydrophobicContact CG-CE2 4.46Å; Y38-P365 HydrophobicContact CD1-CB 4.44Å; Y38-P365 HydrophobicContact CD1-CG 4.25Å; Y38-P365 HydrophobicContact CD2-CB 4.06Å; Y38-P365 HydrophobicContact CD2-CG 3.98Å; Y38-P365 HydrophobicContact CE1-CB 4.22Å; Y38-P365 HydrophobicContact CE2-CB 3.88Å; Y38-P365 HydrophobicContact CE2-CG 4.32Å; Y38-P365 HydrophobicContact CG-CB 4.35Å; Y38-P365 HydrophobicContact CG-CG 3.95Å; Y38-P380 HydrophobicContact CD2-CB 4.05Å; Y38-P380 HydrophobicContact CE2-CB 3.56Å; Y38-F381 PolarHBondContact N-O 2.93Å; Y38-G383 PolarHBondContact O-N 2.94Å; Y38-G383 VanDerWaalsContact O-N 3.1Å |
| 39 | F | 92.3 | Very high | 85.6 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.022 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 149.9 | 168.7 | -69.7 | -104.9 | 0 | 0 | 0 | 109.7 | L27 S28 L30 L41 I51 L53 F116 W135 | L27-F39 WeakPolarHBondContact CA-O 3.29Å; S28-F39 PolarHBondContact N-O 2.81Å; S28-F39 PolarHBondContact O-N 3.29Å; L30-F39 HydrophobicContact CB-CD2 3.97Å; L30-F39 HydrophobicContact CB-CE2 4.32Å; L30-F39 HydrophobicContact CB-CG 4.45Å; L30-F39 HydrophobicContact CD1-CB 3.9Å; L30-F39 HydrophobicContact CD1-CD1 4.28Å; L30-F39 HydrophobicContact CD1-CD2 4.26Å; L30-F39 HydrophobicContact CD1-CG 3.89Å; L30-F39 HydrophobicContact CG-CB 4.2Å; L30-F39 HydrophobicContact CG-CD2 4.23Å; L30-F39 HydrophobicContact CG-CG 4.27Å; F39-L41 HydrophobicContact CB-CD1 4.18Å; F39-I51 HydrophobicContact CB-CG2 4.35Å; F39-I51 HydrophobicContact CD1-CG2 3.98Å; F39-L53 HydrophobicContact CD1-CB 4.04Å; F39-L53 HydrophobicContact CD1-CD1 3.92Å; F39-L53 HydrophobicContact CD1-CG 4.46Å; F39-L53 HydrophobicContact CD2-CD1 4.4Å; F39-L53 HydrophobicContact CE1-CB 3.93Å; F39-L53 HydrophobicContact CE1-CD1 3.76Å; F39-L53 HydrophobicContact CE1-CD2 3.98Å; F39-L53 HydrophobicContact CE1-CG 4.1Å; F39-L53 HydrophobicContact CE2-CD1 4.25Å; F39-L53 HydrophobicContact CG-CD1 4.25Å; F39-L53 HydrophobicContact CZ-CD1 3.93Å; F39-L53 HydrophobicContact CZ-CD2 4.18Å; F39-F116 HydrophobicContact CE1-CE1 4.36Å; F39-W135 HydrophobicContact CE1-CH2 4.4Å; F39-W135 HydrophobicContact CE1-CZ2 4.44Å; F39-W135 HydrophobicContact CZ-CH2 4.22Å |
| 40 | I | 93.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 111.7 | 173.4 | -48.9 | 174.7 | 0 | 0 | 0 | 107.9 | W10 L25 L27 I51 F52 P54 I382 V392 I400 L402 | W10-I40 HydrophobicContact CZ3-CD1 4.34Å; L25-I40 HydrophobicContact CD1-CG2 3.5Å; L27-I40 HydrophobicContact CD2-CB 4.1Å; L27-I40 HydrophobicContact CD2-CG1 3.76Å; L27-I40 HydrophobicContact CD2-CG2 4.09Å; I40-I51 WeakPolarHBondContact O-CA 3.25Å; I40-F52 HydrophobicContact CB-CB 4.2Å; I40-F52 PolarHBondContact N-O 2.93Å; I40-F52 PolarHBondContact O-N 2.86Å; I40-P54 HydrophobicContact CD1-CG 4.09Å; I40-I382 HydrophobicContact CD1-CG2 3.91Å; I40-I382 HydrophobicContact CG1-CG2 3.73Å; I40-V392 HydrophobicContact CD1-CG1 4.45Å; I40-V392 HydrophobicContact CD1-CG2 4.13Å; I40-V392 HydrophobicContact CG1-CG2 4.42Å; I40-V392 HydrophobicContact CG2-CG1 4.37Å; I40-I400 HydrophobicContact CG2-CG2 4.49Å; I40-L402 HydrophobicContact CD1-CD2 4.07Å; I40-L402 HydrophobicContact CD1-CG 4.49Å |
| 41 | L | 94.3 | Very high | 86 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.8 | 173.4 | -65.2 | 84 | 0 | 0 | 0 | 108.9 | L25 K26 L30 F39 I51 I88 I103 | L25-L41 WeakPolarHBondContact CA-O 3.41Å; K26-L41 HydrophobicContact CB-CB 4.41Å; K26-L41 PolarHBondContact N-O 2.9Å; K26-L41 PolarHBondContact O-N 3.11Å; L30-L41 HydrophobicContact CD1-CD1 4.18Å; L30-L41 HydrophobicContact CD2-CD1 4.35Å; L30-L41 HydrophobicContact CD2-CD2 4.42Å; L30-L41 HydrophobicContact CG-CD1 4.29Å; F39-L41 HydrophobicContact CB-CD1 4.18Å; L41-I51 HydrophobicContact CG-CG1 4.34Å; L41-I88 HydrophobicContact CB-CG2 4.35Å; L41-I88 HydrophobicContact CD2-CG2 3.91Å; L41-I103 HydrophobicContact CD2-CD1 3.72Å; L41-I103 HydrophobicContact CD2-CG1 3.92Å; L41-I103 HydrophobicContact CD2-CG2 3.79Å |
| 42 | F | 92.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127 | -178.3 | 177.3 | -105.6 | 0 | 0 | 0 | 110.1 | L14 F23 T44 L49 S50 F52 L394 I400 | L14-F42 HydrophobicContact CB-CE1 4.08Å; L14-F42 HydrophobicContact CD1-CD1 3.35Å; L14-F42 HydrophobicContact CD1-CE1 3.55Å; L14-F42 HydrophobicContact CD1-CG 4.04Å; L14-F42 HydrophobicContact CD1-CZ 4.39Å; L14-F42 HydrophobicContact CG-CD1 4.49Å; L14-F42 HydrophobicContact CG-CE1 4.38Å; F23-F42 HydrophobicContact CB-CE2 3.87Å; F23-F42 HydrophobicContact CB-CZ 4.25Å; F23-F42 HydrophobicContact CD1-CE1 4.29Å; F23-F42 AromaticContact CD1-CE2 3.9Å; F23-F42 HydrophobicContact CD1-CE2 3.9Å; F23-F42 AromaticContact CD1-CZ 3.37Å; F23-F42 HydrophobicContact CD1-CZ 3.37Å; F23-F42 AromaticContact CE1-CZ 3.91Å; F23-F42 HydrophobicContact CE1-CZ 3.91Å; F23-F42 HydrophobicContact CG-CE2 4.07Å; F23-F42 AromaticContact CG-CZ 3.98Å; F23-F42 HydrophobicContact CG-CZ 3.98Å; F42-T44 HydrophobicContact CD1-CG2 4.18Å; F42-T44 HydrophobicContact CE1-CG2 3.46Å; F42-T44 VanDerWaalsContact CE1-CG2 3.46Å; F42-T44 HydrophobicContact CZ-CG2 4.04Å; F42-L49 WeakPolarHBondContact O-CA 3.46Å; F42-S50 PolarHBondContact N-O 3.42Å; F42-S50 PolarHBondContact O-N 2.76Å; F42-F52 HydrophobicContact CB-CE2 4.37Å; F42-L394 HydrophobicContact CD2-CD1 4.24Å; F42-L394 HydrophobicContact CD2-CD2 4.43Å; F42-L394 HydrophobicContact CE2-CD1 3.53Å; F42-L394 HydrophobicContact CE2-CD2 3.94Å; F42-L394 HydrophobicContact CE2-CG 4.4Å; F42-L394 HydrophobicContact CZ-CD1 4.31Å; F42-I400 HydrophobicContact CB-CD1 3.85Å; F42-I400 HydrophobicContact CD1-CD1 4.29Å; F42-I400 HydrophobicContact CD2-CD1 3.64Å; F42-I400 HydrophobicContact CD2-CG1 4.35Å; F42-I400 HydrophobicContact CE2-CD1 4.2Å; F42-I400 HydrophobicContact CG-CD1 3.66Å |
| 43 | G | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F23 C24 I48 | F23-G43 WeakPolarHBondContact CA-O 3.44Å; C24-G43 PolarHBondContact N-O 3.15Å; C24-G43 PolarHBondContact O-N 2.76Å; G43-I48 WeakPolarHBondContact CA-O 3.35Å |
| 44 | T | 89.5 | Confident | 88.2 | Confident | 10 Ų | 10 | 23 Ų | 23 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 155.3 | 177 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | F23 F42 S46 G47 I48 I85 | F23-T44 HydrophobicContact CD1-CG2 4.14Å; F23-T44 HydrophobicContact CE1-CG2 4.22Å; F42-T44 HydrophobicContact CD1-CG2 4.18Å; F42-T44 HydrophobicContact CE1-CG2 3.46Å; F42-T44 VanDerWaalsContact CE1-CG2 3.46Å; F42-T44 HydrophobicContact CZ-CG2 4.04Å; T44-S46 PolarHBondContact O-N 2.88Å; T44-S46 PolarHBondContact OG1-N 2.88Å; T44-S46 PolarHBondContact OG1-OG 3.06Å; T44-G47 PolarHBondContact O-N 3.34Å; T44-G47 PolarHBondContact OG1-N 2.72Å; T44-I48 HydrophobicContact CG2-CB 4.44Å; T44-I48 PolarHBondContact N-O 3.01Å; T44-I48 WeakPolarHBondContact OG1-CB 3.4Å; T44-I48 PolarHBondContact OG1-N 3.18Å; T44-I48 PolarHBondContact OG1-O 2.74Å; T44-I85 PolarHBondContact O-N 2.86Å |
| 45 | S | 88 | Confident | 88.7 | Confident | 32 Ų | 32 | 21.7 Ų | 21.7 | 22% | 0.224 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.6 | 167.6 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | D21 G22 G47 P84 | D21-S45 WeakPolarHBondContact CB-OG 3.22Å; D21-S45 PolarHBondContact OD1-OG 3.28Å; G22-S45 WeakPolarHBondContact O-CB 3.35Å; G22-S45 PolarHBondContact O-N 3.34Å; S45-G47 VanDerWaalsContact C-N 3.25Å; S45-G47 PolarHBondContact O-N 3.43Å; S45-P84 VanDerWaalsContact O-CA 3.23Å; S45-P84 WeakPolarHBondContact O-CA 3.48Å; S45-P84 WeakPolarHBondContact O-CB 3.49Å; S45-P84 WeakPolarHBondContact O-CG 3.38Å |
| 46 | S | 87.2 | Confident | 88.9 | Confident | 63 Ų | 63 | 16.2 Ų | 16.2 | 44% | 0.441 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.3 | 174.5 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | T44 | T44-S46 PolarHBondContact O-N 2.88Å; T44-S46 PolarHBondContact OG1-N 2.88Å; T44-S46 PolarHBondContact OG1-OG 3.06Å |
| 47 | G | 89.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 94 | 9.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | T44 S45 N80 T81 H83 | T44-G47 PolarHBondContact O-N 3.34Å; T44-G47 PolarHBondContact OG1-N 2.72Å; S45-G47 VanDerWaalsContact C-N 3.25Å; S45-G47 PolarHBondContact O-N 3.43Å; G47-N80 PolarHBondContact O-OD1 3.35Å; G47-T81 WeakPolarHBondContact O-CB 3.46Å; G47-T81 PolarHBondContact O-N 3.06Å; G47-T81 PolarHBondContact O-OG1 3.06Å; G47-H83 WeakPolarHBondContact CA-O 3.5Å |
| 48 | I | 91 | Very high | 86.7 | Confident | 26 Ų | 26 | 25.4 Ų | 25.4 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.3 | -179.4 | -55.5 | 173.6 | 0 | 0 | 0 | 109.2 | G43 T44 E78 | G43-I48 WeakPolarHBondContact CA-O 3.35Å; T44-I48 HydrophobicContact CG2-CB 4.44Å; T44-I48 PolarHBondContact N-O 3.01Å; T44-I48 WeakPolarHBondContact OG1-CB 3.4Å; T44-I48 PolarHBondContact OG1-N 3.18Å; T44-I48 PolarHBondContact OG1-O 2.74Å; I48-E78 HydrophobicContact CG2-CG 3.51Å |
| 49 | L | 93.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 114.6 | 171.4 | 176.1 | 65.9 | 0 | 0 | 0 | 109.1 | F42 E78 Y79 T81 I85 I88 I103 V105 L137 | F42-L49 WeakPolarHBondContact O-CA 3.46Å; L49-E78 CarbonylContact O-C 3.51Å; L49-E78 WeakPolarHBondContact O-CA 3.27Å; L49-Y79 PolarHBondContact N-O 3.41Å; L49-Y79 PolarHBondContact O-N 3.03Å; L49-T81 HydrophobicContact CB-CG2 4.42Å; L49-I85 HydrophobicContact CB-CD1 3.93Å; L49-I88 HydrophobicContact CD1-CD1 3.43Å; L49-I88 VanDerWaalsContact CD1-CD1 3.43Å; L49-I88 HydrophobicContact CD1-CG1 4.28Å; L49-I103 HydrophobicContact CD2-CG2 4.36Å; L49-V105 HydrophobicContact CD2-CG2 4.21Å; L49-L137 HydrophobicContact CD2-CD2 3.93Å |
| 50 | S | 91.6 | Very high | 81.2 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.8 | 176.1 | -52.2 | 0 | 0 | 0 | 0 | 110 | F42 L77 E78 | F42-S50 PolarHBondContact N-O 3.42Å; F42-S50 PolarHBondContact O-N 2.76Å; S50-L77 CarbonylContact C-O 3.55Å; S50-L77 WeakPolarHBondContact CA-O 3.44Å; S50-E78 PolarHBondContact OG-OE2 3.42Å |
| 51 | I | 92.6 | Very high | 78.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.4 | 177.8 | -55.6 | 177.6 | 0 | 0 | 0 | 108.1 | L30 F39 I40 L41 C76 L77 I103 F116 | L30-I51 HydrophobicContact CD1-CG2 4.29Å; F39-I51 HydrophobicContact CB-CG2 4.35Å; F39-I51 HydrophobicContact CD1-CG2 3.98Å; I40-I51 WeakPolarHBondContact O-CA 3.25Å; L41-I51 HydrophobicContact CG-CG1 4.34Å; I51-C76 HydrophobicContact CG2-CB 4.43Å; I51-C76 WeakPolarHBondContact O-CB 3.31Å; I51-C76 PolarHBondContact O-N 3.42Å; I51-L77 HydrophobicContact CD1-CD2 4.2Å; I51-L77 PolarHBondContact N-O 3.47Å; I51-L77 PolarHBondContact O-N 3.38Å; I51-I103 HydrophobicContact CD1-CD1 3.59Å; I51-F116 HydrophobicContact CD1-CD2 3.85Å; I51-F116 HydrophobicContact CD1-CE2 3.77Å; I51-F116 HydrophobicContact CD1-CZ 4.38Å; I51-F116 HydrophobicContact CG2-CZ 4.35Å |
| 52 | F | 90.5 | Very high | 75.3 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142.8 | 178.5 | -59.7 | -89.3 | 0 | 0 | 0 | 112 | W10 L14 I40 F42 D74 L75 I400 | W10-F52 HydrophobicContact CH2-CB 4.45Å; W10-F52 HydrophobicContact CH2-CD1 4.08Å; W10-F52 HydrophobicContact CH2-CG 4.23Å; W10-F52 HydrophobicContact CZ2-CD1 4.22Å; L14-F52 HydrophobicContact CD1-CE2 3.45Å; L14-F52 VanDerWaalsContact CD1-CE2 3.45Å; L14-F52 HydrophobicContact CD1-CZ 3.37Å; L14-F52 HydrophobicContact CD2-CZ 3.87Å; L14-F52 HydrophobicContact CG-CE2 4.44Å; L14-F52 HydrophobicContact CG-CZ 3.88Å; I40-F52 HydrophobicContact CB-CB 4.2Å; I40-F52 PolarHBondContact N-O 2.93Å; I40-F52 PolarHBondContact O-N 2.86Å; F42-F52 HydrophobicContact CB-CE2 4.37Å; F52-D74 WeakPolarHBondContact CA-O 3.36Å; F52-L75 HydrophobicContact CD1-CB 4.13Å; F52-L75 HydrophobicContact CD1-CD1 3.94Å; F52-L75 HydrophobicContact CE1-CB 3.94Å; F52-L75 HydrophobicContact CE1-CD1 3.51Å; F52-L75 HydrophobicContact CE1-CG 4.28Å; F52-L75 HydrophobicContact CE2-CD1 4.25Å; F52-L75 HydrophobicContact CG-CD1 4.47Å; F52-L75 HydrophobicContact CZ-CD1 3.67Å; F52-I400 HydrophobicContact CE2-CD1 4.15Å |
| 53 | L | 89.1 | Confident | 72.4 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | trans | -129.5 | 81.2 | 164.9 | -173 | 71.6 | 0 | 0 | 0 | 108.2 | Q37 F39 D74 C76 L384 | Q37-L53 HydrophobicContact CG-CD1 4.17Å; F39-L53 HydrophobicContact CD1-CB 4.04Å; F39-L53 HydrophobicContact CD1-CD1 3.92Å; F39-L53 HydrophobicContact CD1-CG 4.46Å; F39-L53 HydrophobicContact CD2-CD1 4.4Å; F39-L53 HydrophobicContact CE1-CB 3.93Å; F39-L53 HydrophobicContact CE1-CD1 3.76Å; F39-L53 HydrophobicContact CE1-CD2 3.98Å; F39-L53 HydrophobicContact CE1-CG 4.1Å; F39-L53 HydrophobicContact CE2-CD1 4.25Å; F39-L53 HydrophobicContact CG-CD1 4.25Å; F39-L53 HydrophobicContact CZ-CD1 3.93Å; F39-L53 HydrophobicContact CZ-CD2 4.18Å; L53-D74 PolarHBondContact N-O 3.43Å; L53-C76 WeakPolarHBondContact CB-SG 3.46Å; L53-L384 HydrophobicContact CD2-CD1 3.79Å; L53-L384 HydrophobicContact CD2-CG 4.01Å; L53-L384 HydrophobicContact CG-CD1 4.32Å; L53-L384 HydrophobicContact CG-CG 4.19Å | ||
| 54 | P | 88.2 | Confident | 69.5 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -64.6 | 142.7 | -172.9 | 26.4 | -33.5 | 0 | 0 | 0 | 111.2 | W10 I40 G383 L384 F386 L402 | W10-P54 HydrophobicContact CD2-CB 3.81Å; W10-P54 HydrophobicContact CE3-CB 4.4Å; W10-P54 HydrophobicContact CG-CB 4.06Å; W10-P54 HydrophobicContact CZ2-CB 3.96Å; I40-P54 HydrophobicContact CD1-CG 4.09Å; P54-G383 CarbonylContact O-C 3.52Å; P54-G383 WeakPolarHBondContact O-CA 3.49Å; P54-L384 PolarHBondContact O-N 3.44Å; P54-F386 HydrophobicContact CB-CE2 3.92Å; P54-F386 HydrophobicContact CG-CE2 4.26Å; P54-F386 WeakPolarHBondContact O-CE2 3.27Å; P54-L402 HydrophobicContact CB-CD1 4.09Å; P54-L402 HydrophobicContact CG-CD1 3.59Å | ||
| 55 | R | 82.5 | Confident | 66.7 | Low | 77 Ų | 77 | 73.5 Ų | 73.5 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -109.2 | 132.1 | 178.7 | -63.5 | 172.8 | 174.5 | -159.3 | -10.4 | 110.2 | A57 D74 F130 L132 L384 F386 | R55-A57 PolarHBondContact O-N 2.97Å; R55-D74 PolarHBondContact N-OD1 3.46Å; R55-F130 PolarHBondContact NH2-O 3.26Å; R55-L132 VanDerWaalsContact CZ-CD1 3.49Å; R55-L384 HydrophobicContact CG-CB 4.24Å; R55-L384 HydrophobicContact CG-CD1 4.02Å; R55-F386 VanDerWaalsContact C-CE2 3.48Å |
| 56 | A | 77.1 | Confident | 63.8 | Low | 27 Ų | 27 | 79.8 Ų | 79.8 | 22% | 0.223 | 42% | 0.423 | C | S | . | . | trans | -70.1 | 120.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | E58 L384 N385 F386 | A56-E58 PolarHBondContact O-N 2.77Å; A56-L384 PolarHBondContact N-O 2.74Å; A56-N385 HydrophobicContact CB-CB 4Å; A56-N385 WeakPolarHBondContact CB-O 3.37Å; A56-F386 HydrophobicContact CB-CD1 3.95Å; A56-F386 HydrophobicContact CB-CD2 4.25Å; A56-F386 HydrophobicContact CB-CE1 3.84Å; A56-F386 HydrophobicContact CB-CE2 4.15Å; A56-F386 HydrophobicContact CB-CG 4.16Å; A56-F386 HydrophobicContact CB-CZ 3.95Å; A56-F386 VanDerWaalsContact N-CE2 3.34Å | ||
| 57 | A | 64.3 | Low | 61 | Low | 82 Ų | 82 | 80.8 Ų | 80.8 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | trans | -66.8 | 123.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R55 I59 | R55-A57 PolarHBondContact O-N 2.97Å; A57-I59 PolarHBondContact O-N 3.26Å; A57-I59 VanDerWaalsContact O-N 3.12Å | ||
| 58 | E | 52.2 | Low | 58.2 | Low | 156 Ų | 156 | 88.8 Ų | 88.8 | 73% | 0.729 | 48% | 0.48 | S | S | * | . | trans | -67.2 | 109.5 | 166.7 | -68.6 | -177 | -178.5 | 0 | 0 | 107.6 | A56 L60 | A56-E58 PolarHBondContact O-N 2.77Å; E58-L60 PolarHBondContact O-N 2.79Å | ||
| 59 | I | 36.1 | Very low | 55.4 | Low | 152 Ų | 152 | 95.4 Ų | 95.4 | 78% | 0.779 | 52% | 0.515 | S | S | * | . | trans | -67.9 | 89.6 | 171.9 | -57.4 | 170 | 0 | 0 | 0 | 106.6 | A57 D61 | A57-I59 PolarHBondContact O-N 3.26Å; A57-I59 VanDerWaalsContact O-N 3.12Å; I59-D61 PolarHBondContact O-N 3.03Å | ||
| 60 | L | 31 | Very low | 53.1 | Low | 149 Ų | 149 | 100.4 Ų | 100.4 | 78% | 0.78 | 54% | 0.538 | S | S | * | . | trans | -66.4 | 115.9 | 159.8 | -83.7 | 137.6 | 0 | 0 | 0 | 106.7 | E58 N62 | E58-L60 PolarHBondContact O-N 2.79Å; L60-N62 PolarHBondContact O-N 3.4Å | ||
| 61 | D | 32.3 | Very low | 50.9 | Low | 151 Ų | 151 | 106 Ų | 106 | 81% | 0.807 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 12.4 | -166.9 | -93.8 | -33.3 | 0 | 0 | 0 | 118.7 | I59 | I59-D61 PolarHBondContact O-N 3.03Š|
| 62 | N | 31.4 | Very low | 48.9 | Very low | 152 Ų | 152 | 116.5 Ų | 116.5 | 81% | 0.813 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 8.1 | -165 | -74.2 | -34.4 | 0 | 0 | 0 | 118.4 | L60 | L60-N62 PolarHBondContact O-N 3.4Š|
| 63 | Q | 32.2 | Very low | 47.3 | Very low | 173 Ų | 173 | 120.1 Ų | 120.1 | 81% | 0.808 | 63% | 0.629 | S | S | * | * | trans | -137.6 | 85.1 | 172.2 | -65.6 | -172.2 | 8.5 | 0 | 0 | 112.2 | S65 | Q63-S65 PolarHBondContact O-N 3.3Å; Q63-S65 VanDerWaalsContact O-N 3.09Å | ||
| 64 | K | 29.5 | Very low | 46.9 | Very low | 221 Ų | 221 | 120.4 Ų | 120.4 | 96% | 0.961 | 63% | 0.63 | S | S | * | * | trans | -75.9 | 81.2 | 158.2 | -71.4 | -178.6 | -180 | 175.6 | 0 | 108.3 | ||||
| 65 | S | 30.6 | Very low | 46.8 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 49% | 0.49 | 65% | 0.645 | S | S | . | * | trans | -103 | 121.6 | 161.2 | 48.2 | 0 | 0 | 0 | 0 | 108.5 | Q63 G67 | Q63-S65 PolarHBondContact O-N 3.3Å; Q63-S65 VanDerWaalsContact O-N 3.09Å; S65-G67 PolarHBondContact O-N 3.35Å | ||
| 66 | D | 27.2 | Very low | 46.9 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | 131.2 | 178.1 | -72.8 | -43.8 | 0 | 0 | 0 | 113.1 | Q68 | D66-Q68 PolarHBondContact O-N 3Å; D66-Q68 VanDerWaalsContact O-N 3.14Å |
| 67 | G | 29.4 | Very low | 47.5 | Very low | 84 Ų | 84 | 120 Ų | 120 | 87% | 0.866 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.1 | 9.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | S65 L69 | S65-G67 PolarHBondContact O-N 3.35Å; G67-L69 PolarHBondContact O-N 3.33Å |
| 68 | Q | 31 | Very low | 48.7 | Very low | 167 Ų | 167 | 120.5 Ų | 120.5 | 78% | 0.78 | 62% | 0.619 | S | S | * | * | trans | -83.5 | 119.4 | -178.8 | -76 | -179.3 | -4.9 | 0 | 0 | 112.7 | D66 | D66-Q68 PolarHBondContact O-N 3Å; D66-Q68 VanDerWaalsContact O-N 3.14Å | ||
| 69 | L | 31.5 | Very low | 50.5 | Low | 165 Ų | 165 | 117.2 Ų | 117.2 | 86% | 0.864 | 60% | 0.601 | S | S | * | * | trans | -35.6 | 133.4 | 174.5 | -68 | 146.1 | 0 | 0 | 0 | 113.7 | G67 | G67-L69 PolarHBondContact O-N 3.33Š| ||
| 70 | H | 44.2 | Very low | 53.2 | Low | 105 Ų | 105 | 114.6 Ų | 114.6 | 49% | 0.486 | 59% | 0.588 | S | S | . | * | trans | -52.2 | 136.8 | 172 | -69.8 | -76.3 | 0 | 0 | 0 | 111.6 | ||||
| 71 | D | 45.3 | Very low | 56 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | trans | -51.1 | 139.1 | -179.5 | -93.3 | -29.6 | 0 | 0 | 0 | 112.5 | N73 | D71-N73 HydrophobicContact CB-CB 4.3Å; D71-N73 PolarHBondContact O-N 3.49Å | ||
| 72 | Y | 50.8 | Low | 58.7 | Low | 221 Ų | 221 | 108 Ų | 108 | 87% | 0.867 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -58.6 | 0.4 | 173.2 | -73 | -89.1 | 0 | 0 | 0 | 114.6 | D74 | Y72-D74 VanDerWaalsContact C-N 3.3Å; Y72-D74 PolarHBondContact O-N 2.85Å |
| 73 | N | 58.2 | Low | 61.6 | Low | 79 Ų | 79 | 104.8 Ų | 104.8 | 42% | 0.422 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -80.3 | -1.7 | -172 | -67 | -25.3 | 0 | 0 | 0 | 114.7 | D71 L132 | D71-N73 HydrophobicContact CB-CB 4.3Å; D71-N73 PolarHBondContact O-N 3.49Å; N73-L132 VanDerWaalsContact O-CD1 3.28Å; N73-L132 WeakPolarHBondContact O-CD1 3.33Å |
| 74 | D | 80.1 | Confident | 64.4 | Low | 15 Ų | 15 | 100 Ų | 100 | 8% | 0.08 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -88.9 | -15.5 | -177.2 | -68.3 | -35.2 | 0 | 0 | 0 | 114.3 | W10 F52 L53 R55 Y72 | W10-D74 HydrophobicContact CZ2-CB 4.08Å; W10-D74 PolarHBondContact NE1-OD2 3.39Å; F52-D74 WeakPolarHBondContact CA-O 3.36Å; L53-D74 PolarHBondContact N-O 3.43Å; R55-D74 PolarHBondContact N-OD1 3.46Å; Y72-D74 VanDerWaalsContact C-N 3.3Å; Y72-D74 PolarHBondContact O-N 2.85Å |
| 75 | L | 85.6 | Confident | 67.4 | Low | 57 Ų | 57 | 89.7 Ų | 89.7 | 30% | 0.298 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 112.6 | 176.9 | 178.6 | 68.7 | 0 | 0 | 0 | 109.4 | F52 E78 | F52-L75 HydrophobicContact CD1-CB 4.13Å; F52-L75 HydrophobicContact CD1-CD1 3.94Å; F52-L75 HydrophobicContact CE1-CB 3.94Å; F52-L75 HydrophobicContact CE1-CD1 3.51Å; F52-L75 HydrophobicContact CE1-CG 4.28Å; F52-L75 HydrophobicContact CE2-CD1 4.25Å; F52-L75 HydrophobicContact CG-CD1 4.47Å; F52-L75 HydrophobicContact CZ-CD1 3.67Å; L75-E78 HydrophobicContact CD2-CB 4.17Å |
| 76 | C | 85.5 | Confident | 70.4 | Confident | 18 Ų | 18 | 89.9 Ų | 89.9 | 12% | 0.122 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -43.4 | 177.8 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | I51 L53 W135 | I51-C76 HydrophobicContact CG2-CB 4.43Å; I51-C76 WeakPolarHBondContact O-CB 3.31Å; I51-C76 PolarHBondContact O-N 3.42Å; L53-C76 WeakPolarHBondContact CB-SG 3.46Å; C76-W135 HydrophobicContact CB-CG 4.06Å |
| 77 | L | 88.6 | Confident | 73.5 | Confident | 21 Ų | 21 | 83.2 Ų | 83.2 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 138.6 | -173 | -178.2 | 135.4 | 0 | 0 | 0 | 110.4 | S50 I51 F116 W135 L137 | S50-L77 CarbonylContact C-O 3.55Å; S50-L77 WeakPolarHBondContact CA-O 3.44Å; I51-L77 HydrophobicContact CD1-CD2 4.2Å; I51-L77 PolarHBondContact N-O 3.47Å; I51-L77 PolarHBondContact O-N 3.38Å; L77-F116 HydrophobicContact CB-CE2 4.44Å; L77-W135 HydrophobicContact CB-CB 4.46Å; L77-W135 HydrophobicContact CD1-CB 4.42Å; L77-L137 HydrophobicContact CD1-CB 3.7Å; L77-L137 HydrophobicContact CD2-CB 3.92Å; L77-L137 HydrophobicContact CD2-CD2 4.1Å; L77-L137 HydrophobicContact CD2-CG 4.46Å; L77-L137 HydrophobicContact CG-CB 4.49Å |
| 78 | E | 89.5 | Confident | 76.7 | Confident | 91 Ų | 91 | 79.5 Ų | 79.5 | 43% | 0.425 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.2 | 166.8 | -175.8 | 171.3 | 111.7 | 0 | 0 | 108.5 | I48 L49 S50 L75 | I48-E78 HydrophobicContact CG2-CG 3.51Å; L49-E78 CarbonylContact O-C 3.51Å; L49-E78 WeakPolarHBondContact O-CA 3.27Å; S50-E78 PolarHBondContact OG-OE2 3.42Å; L75-E78 HydrophobicContact CD2-CB 4.17Å |
| 79 | Y | 91.2 | Very high | 79.7 | Confident | 87 Ų | 87 | 72.1 Ų | 72.1 | 34% | 0.341 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 127.7 | -173.8 | -173 | -89.4 | 0 | 0 | 0 | 111.1 | L49 T81 Y114 L137 | L49-Y79 PolarHBondContact N-O 3.41Å; L49-Y79 PolarHBondContact O-N 3.03Å; Y79-T81 HydrophobicContact CD1-CG2 3.96Å; Y79-T81 HydrophobicContact CE1-CG2 4.3Å; Y79-Y114 AromaticContact CE1-CE1 3.85Å; Y79-Y114 HydrophobicContact CE1-CE1 3.85Å; Y79-L137 HydrophobicContact CD1-CD2 3.82Å; Y79-L137 HydrophobicContact CD2-CB 4.43Å; Y79-L137 HydrophobicContact CD2-CD2 4.25Å; Y79-L137 HydrophobicContact CE1-CD2 4.45Å; Y79-L137 HydrophobicContact CG-CD2 3.72Å |
| 80 | N | 92.3 | Very high | 82.6 | Confident | 97 Ų | 97 | 64.9 Ų | 64.9 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 117 | 175.1 | -172.6 | -2.1 | 0 | 0 | 0 | 110 | G47 E82 | G47-N80 PolarHBondContact O-OD1 3.35Å; N80-E82 VanDerWaalsContact C-N 3.3Å; N80-E82 WeakPolarHBondContact OD1-CA 3.3Å; N80-E82 PolarHBondContact OD1-N 3.5Å |
| 81 | T | 90.5 | Very high | 84.8 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | trans | -86.3 | 1.8 | 178.5 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | G47 L49 Y79 H83 I85 H107 Y114 | G47-T81 WeakPolarHBondContact O-CB 3.46Å; G47-T81 PolarHBondContact O-N 3.06Å; G47-T81 PolarHBondContact O-OG1 3.06Å; L49-T81 HydrophobicContact CB-CG2 4.42Å; Y79-T81 HydrophobicContact CD1-CG2 3.96Å; Y79-T81 HydrophobicContact CE1-CG2 4.3Å; T81-H83 PolarHBondContact O-N 2.92Å; T81-H83 PolarHBondContact OG1-O 3.44Å; T81-H83 VanDerWaalsContact OG1-O 3.1Å; T81-I85 HydrophobicContact CG2-CD1 4.24Å; T81-H107 PolarHBondContact OG1-CE1 2.84Å; T81-Y114 HydrophobicContact CG2-CE2 4.25Å | ||
| 82 | E | 89 | Confident | 87 | Confident | 156 Ų | 156 | 56.8 Ų | 56.8 | 73% | 0.729 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 66.1 | -17.2 | -179.2 | -55.1 | 177.6 | 163.3 | 0 | 0 | 115.5 | N80 | N80-E82 VanDerWaalsContact C-N 3.3Å; N80-E82 WeakPolarHBondContact OD1-CA 3.3Å; N80-E82 PolarHBondContact OD1-N 3.5Å |
| 83 | H | 91.1 | Very high | 88.8 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 39% | 0.394 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -126.9 | 149.1 | -177.3 | -64.7 | -86.9 | 0 | 0 | 0 | 111.4 | G47 T81 I85 H107 M110 | G47-H83 WeakPolarHBondContact CA-O 3.5Å; T81-H83 PolarHBondContact O-N 2.92Å; T81-H83 PolarHBondContact OG1-O 3.44Å; T81-H83 VanDerWaalsContact OG1-O 3.1Å; H83-I85 PolarHBondContact O-N 3.04Å; H83-H107 HydrophobicContact CB-CB 4.38Å; H83-H107 PolarHBondContact O-ND1 2.89Å; H83-M110 HydrophobicContact CB-CE 3.67Å; H83-M110 WeakPolarHBondContact CD2-CE 3.08Å; H83-M110 VanDerWaalsContact CG-CE 3.48Å |
| 84 | P | 91.5 | Very high | 90.1 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | trans | -52.4 | 135.8 | 178.8 | -27.8 | 34.9 | 0 | 0 | 0 | 113.2 | S45 H107 | S45-P84 VanDerWaalsContact O-CA 3.23Å; S45-P84 WeakPolarHBondContact O-CA 3.48Å; S45-P84 WeakPolarHBondContact O-CB 3.49Å; S45-P84 WeakPolarHBondContact O-CG 3.38Å; P84-H107 PolarHBondContact O-ND1 3.44Å | ||
| 85 | I | 93 | Very high | 89.8 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | trans | -94.6 | 116.8 | 177.1 | -59.1 | 171.5 | 0 | 0 | 0 | 108.8 | T44 L49 T81 H83 I88 V105 | T44-I85 PolarHBondContact O-N 2.86Å; L49-I85 HydrophobicContact CB-CD1 3.93Å; T81-I85 HydrophobicContact CG2-CD1 4.24Å; H83-I85 PolarHBondContact O-N 3.04Å; I85-I88 HydrophobicContact CG2-CD1 4.15Å; I85-I88 HydrophobicContact CG2-CG1 3.73Å; I85-V105 HydrophobicContact CB-CG1 4.25Å; I85-V105 HydrophobicContact CD1-CG1 4.19Å; I85-V105 HydrophobicContact CG1-CG1 3.73Å; I85-V105 HydrophobicContact CG2-CG1 3.74Å | ||
| 86 | L | 92.3 | Very high | 89.1 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | trans | -89 | -45 | 178.1 | -63.2 | 179.3 | 0 | 0 | 0 | 112.1 | L106 S149 | L86-L106 HydrophobicContact CB-CD2 4.3Å; L86-L106 HydrophobicContact CB-CG 4.39Å; L86-L106 PolarHBondContact N-O 2.89Å; L86-S149 WeakPolarHBondContact CD1-O 3.2Å | ||
| 87 | C | 93.6 | Very high | 87.9 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 149.6 | -178.5 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | L106 L152 | C87-L106 HydrophobicContact CB-CB 4.14Å; C87-L106 HydrophobicContact CB-CD2 4.3Å; C87-L106 PolarHBondContact O-N 3.39Å; C87-L152 HydrophobicContact CB-CB 4.29Å |
| 88 | I | 95 | Very high | 87 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132 | 172.4 | -59.5 | 161.8 | 0 | 0 | 0 | 107.5 | C24 K26 L41 L49 I85 I103 A104 | C24-I88 VanDerWaalsContact SG-CD1 3.56Å; K26-I88 HydrophobicContact CB-CB 4.41Å; K26-I88 HydrophobicContact CB-CG2 4.4Å; L41-I88 HydrophobicContact CB-CG2 4.35Å; L41-I88 HydrophobicContact CD2-CG2 3.91Å; L49-I88 HydrophobicContact CD1-CD1 3.43Å; L49-I88 VanDerWaalsContact CD1-CD1 3.43Å; L49-I88 HydrophobicContact CD1-CG1 4.28Å; I85-I88 HydrophobicContact CG2-CD1 4.15Å; I85-I88 HydrophobicContact CG2-CG1 3.73Å; I88-I103 HydrophobicContact CG2-CG2 3.81Å; I88-A104 WeakPolarHBondContact CA-O 3.48Å |
| 89 | D | 94.4 | Very high | 86.5 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.059 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 161.1 | 168.6 | -155.4 | 2.5 | 0 | 0 | 0 | 110.1 | K26 A104 L152 L154 | K26-D89 WeakPolarHBondContact CE-OD1 3.49Å; K26-D89 IonicContact NZ-OD1 2.66Å; K26-D89 PolarHBondContact NZ-OD1 2.92Å; D89-A104 PolarHBondContact N-O 3.3Å; D89-A104 PolarHBondContact O-N 3.02Å; D89-L152 HydrophobicContact CB-CD2 3.38Å; D89-L154 HydrophobicContact CB-CD1 3.84Å; D89-L154 HydrophobicContact CB-CG 3.86Å; D89-L154 WeakPolarHBondContact OD2-CB 3.36Å; D89-L154 PolarHBondContact OD2-N 3.37Å |
| 90 | C | 93.6 | Very high | 86.1 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 9% | 0.088 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.8 | -176.5 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | S28 L30 Q102 L154 | S28-C90 WeakPolarHBondContact OG-CB 3.3Å; L30-C90 HydrophobicContact CD2-CB 4.17Å; C90-Q102 WeakPolarHBondContact CA-O 3.35Å; C90-L154 VanDerWaalsContact C-CD1 3.44Å |
| 91 | G | 90.5 | Very high | 86 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 179.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L93 Q102 D164 | G91-L93 PolarHBondContact O-N 3.5Å; G91-Q102 PolarHBondContact N-O 3.38Å; G91-Q102 VanDerWaalsContact N-O 3.1Å; G91-Q102 PolarHBondContact O-N 3.5Å; G91-Q102 PolarHBondContact O-OE1 3.18Å; G91-Q102 VanDerWaalsContact O-OE1 3.06Å; G91-D164 VanDerWaalsContact CA-OD2 3.28Å; G91-D164 WeakPolarHBondContact CA-OD2 3.02Å |
| 92 | N | 90 | Very high | 86.1 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | trans | -95.5 | 86.3 | 179.1 | -68.1 | -34.9 | 0 | 0 | 0 | 109.7 | T163 D164 | N92-T163 CarbonylContact O-C 3.6Å; N92-T163 WeakPolarHBondContact O-CA 3.49Å; N92-T163 WeakPolarHBondContact O-CB 3.21Å; N92-D164 PolarHBondContact N-OD2 3.09Å; N92-D164 PolarHBondContact O-N 3.25Å | ||
| 93 | L | 89.1 | Confident | 86.3 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -92.4 | -23.5 | -174.1 | -65.3 | 172.6 | 0 | 0 | 0 | 113.4 | G91 Q102 A104 V113 F141 L154 D164 I166 | G91-L93 PolarHBondContact O-N 3.5Å; L93-Q102 HydrophobicContact CB-CB 4.32Å; L93-Q102 HydrophobicContact CD1-CB 4.19Å; L93-Q102 HydrophobicContact CG-CB 4.49Å; L93-A104 HydrophobicContact CD1-CB 4.05Å; L93-V113 HydrophobicContact CB-CG1 4.44Å; L93-V113 HydrophobicContact CD1-CB 4.4Å; L93-V113 HydrophobicContact CD1-CG1 3.58Å; L93-V113 HydrophobicContact CD1-CG2 3.86Å; L93-F141 HydrophobicContact CB-CZ 4.46Å; L93-L154 HydrophobicContact CD1-CD1 4.4Å; L93-L154 HydrophobicContact CD1-CD2 4.48Å; L93-L154 HydrophobicContact CD2-CD2 3.9Å; L93-D164 HydrophobicContact CD2-CB 4.1Å; L93-D164 WeakPolarHBondContact CD2-O 3.49Å; L93-I166 HydrophobicContact CD1-CD1 4.03Å; L93-I166 HydrophobicContact CD1-CG1 4.46Å; L93-I166 HydrophobicContact CD2-CD1 4.09Å; L93-I166 HydrophobicContact CD2-CG1 3.69Å | ||
| 94 | V | 85.1 | Confident | 86.6 | Confident | 31 Ų | 31 | 45 Ų | 45 | 19% | 0.188 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -115.1 | 136.5 | -179.8 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | E96 Q102 F141 | V94-E96 VanDerWaalsContact C-N 3.26Å; V94-E96 HydrophobicContact CG1-CB 4.06Å; V94-E96 HydrophobicContact CG1-CG 4.11Å; V94-E96 PolarHBondContact O-N 3.41Å; V94-Q102 HydrophobicContact CG2-CG 4.29Å; V94-F141 HydrophobicContact CG2-CE1 3.98Å |
| 95 | M | 74.8 | Confident | 86.8 | Confident | 117 Ų | 117 | 41.6 Ų | 41.6 | 58% | 0.576 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -69 | -22.5 | -179.2 | -82.6 | -115.2 | 48.9 | 0 | 0 | 113.9 | M97 Q162 T163 | M95-M97 PolarHBondContact O-N 3.27Å; M95-Q162 HydrophobicContact SD-CB 4.23Å; M95-T163 HydrophobicContact CG-CG2 3.52Å |
| 96 | E | 70.9 | Confident | 86.9 | Confident | 150 Ų | 150 | 41.3 Ų | 41.3 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -59.3 | 130.8 | 176.9 | -65.7 | -178.6 | 178.7 | 0 | 0 | 109.9 | V94 S98 | V94-E96 VanDerWaalsContact C-N 3.26Å; V94-E96 HydrophobicContact CG1-CB 4.06Å; V94-E96 HydrophobicContact CG1-CG 4.11Å; V94-E96 PolarHBondContact O-N 3.41Å; E96-S98 PolarHBondContact O-N 3.17Å; E96-S98 PolarHBondContact O-OG 2.75Å; E96-S98 VanDerWaalsContact O-OG 3.08Å |
| 97 | M | 61 | Low | 87.1 | Confident | 193 Ų | 193 | 37.9 Ų | 37.9 | 95% | 0.951 | 19% | 0.193 | S | C | * | . | trans | -64.3 | 78.9 | -177.4 | -70.9 | -71 | -179.2 | 0 | 0 | 110.5 | M95 | M95-M97 PolarHBondContact O-N 3.27Š| ||
| 98 | S | 68.9 | Low | 87 | Confident | 39 Ų | 39 | 39.5 Ų | 39.5 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | trans | -85.9 | 129.8 | 174.8 | 36.3 | 0 | 0 | 0 | 0 | 107.9 | N32 E96 Y100 Q102 | N32-S98 PolarHBondContact ND2-O 2.91Å; E96-S98 PolarHBondContact O-N 3.17Å; E96-S98 PolarHBondContact O-OG 2.75Å; E96-S98 VanDerWaalsContact O-OG 3.08Å; S98-Y100 WeakPolarHBondContact CB-O 3.3Å; S98-Y100 PolarHBondContact O-N 2.98Å; S98-Y100 PolarHBondContact OG-O 3.49Å; S98-Q102 PolarHBondContact OG-NE2 2.89Å | ||
| 99 | Q | 78.2 | Confident | 87 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -64.1 | -20.5 | 175.7 | -69 | 175.4 | -16.7 | 0 | 0 | 111.8 | N32 D121 | N32-Q99 WeakPolarHBondContact CB-O 3.4Å; N32-Q99 PolarHBondContact N-O 3.25Å; Q99-D121 PolarHBondContact OE1-OD2 3.22Å; Q99-D121 VanDerWaalsContact OE1-OD2 3.14Å |
| 100 | Y | 83.5 | Confident | 87 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 7% | 0.071 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -119.2 | 148.2 | -179.3 | -60.7 | -91.7 | 0 | 0 | 0 | 111.6 | L30 H31 S98 F116 W135 | L30-Y100 HydrophobicContact CB-CD1 4.38Å; L30-Y100 CarbonylContact O-C 3.59Å; L30-Y100 WeakPolarHBondContact O-CA 3.31Å; H31-Y100 HydrophobicContact CB-CD1 4.16Å; H31-Y100 HydrophobicContact CB-CE1 4Å; H31-Y100 AromaticContact CD2-CE1 3.55Å; H31-Y100 AromaticContact CD2-CZ 3.61Å; S98-Y100 WeakPolarHBondContact CB-O 3.3Å; S98-Y100 PolarHBondContact O-N 2.98Å; S98-Y100 PolarHBondContact OG-O 3.49Å; Y100-F116 WeakPolarHBondContact CB-O 3.08Å; Y100-F116 AromaticContact CD1-CD1 3.98Å; Y100-F116 HydrophobicContact CD1-CD1 3.98Å; Y100-F116 HydrophobicContact CD1-CE1 4.41Å; Y100-F116 WeakPolarHBondContact CD2-O 3.25Å; Y100-F116 HydrophobicContact CE1-CD1 4.47Å; Y100-F116 HydrophobicContact CG-CD1 4.38Å; Y100-W135 HydrophobicContact CE1-CH2 4.13Å; Y100-W135 AromaticContact CE1-CZ3 3.75Å; Y100-W135 HydrophobicContact CE1-CZ3 3.75Å; Y100-W135 AromaticContact CZ-CZ3 3.78Å |
| 101 | Q | 89.2 | Confident | 87.1 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -66.5 | 148.3 | 170.2 | -63.1 | -173.9 | -14.9 | 0 | 0 | 111 | S28 L30 N32 | S28-Q101 PolarHBondContact OG-OE1 3.19Å; S28-Q101 VanDerWaalsContact OG-OE1 3.13Å; L30-Q101 PolarHBondContact O-N 3.3Å; N32-Q101 VanDerWaalsContact OD1-CG 3.29Å; N32-Q101 WeakPolarHBondContact OD1-CG 3.24Å | ||
| 102 | Q | 92.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 146 | 171.8 | -66.1 | 82.5 | 23.2 | 0 | 0 | 110.8 | C90 G91 L93 V94 S98 V113 Y114 N115 | C90-Q102 WeakPolarHBondContact CA-O 3.35Å; G91-Q102 PolarHBondContact N-O 3.38Å; G91-Q102 VanDerWaalsContact N-O 3.1Å; G91-Q102 PolarHBondContact O-N 3.5Å; G91-Q102 PolarHBondContact O-OE1 3.18Å; G91-Q102 VanDerWaalsContact O-OE1 3.06Å; L93-Q102 HydrophobicContact CB-CB 4.32Å; L93-Q102 HydrophobicContact CD1-CB 4.19Å; L93-Q102 HydrophobicContact CG-CB 4.49Å; V94-Q102 HydrophobicContact CG2-CG 4.29Å; S98-Q102 PolarHBondContact OG-NE2 2.89Å; Q102-V113 HydrophobicContact CB-CG1 3.78Å; Q102-V113 HydrophobicContact CG-CG1 4.25Å; Q102-Y114 WeakPolarHBondContact CA-O 3.31Å; Q102-N115 WeakPolarHBondContact CG-OD1 3.38Å |
| 103 | I | 95.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.3 | 176.9 | -57 | 171.5 | 0 | 0 | 0 | 107.6 | L30 L41 L49 I51 I88 V105 V113 Y114 F116 L137 | L30-I103 HydrophobicContact CD1-CD1 4.29Å; L30-I103 HydrophobicContact CD2-CD1 4.25Å; L30-I103 HydrophobicContact CD2-CG1 3.92Å; L41-I103 HydrophobicContact CD2-CD1 3.72Å; L41-I103 HydrophobicContact CD2-CG1 3.92Å; L41-I103 HydrophobicContact CD2-CG2 3.79Å; L49-I103 HydrophobicContact CD2-CG2 4.36Å; I51-I103 HydrophobicContact CD1-CD1 3.59Å; I88-I103 HydrophobicContact CG2-CG2 3.81Å; I103-V105 HydrophobicContact CG2-CG2 4.09Å; I103-V113 WeakPolarHBondContact O-CA 3.17Å; I103-Y114 PolarHBondContact N-O 2.89Å; I103-Y114 PolarHBondContact O-N 2.93Å; I103-F116 HydrophobicContact CD1-CB 4.04Å; I103-F116 HydrophobicContact CD1-CG 4.4Å; I103-L137 HydrophobicContact CD1-CD1 4.05Å |
| 104 | A | 95.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I88 D89 L93 V113 L152 L154 | I88-A104 WeakPolarHBondContact CA-O 3.48Å; D89-A104 PolarHBondContact N-O 3.3Å; D89-A104 PolarHBondContact O-N 3.02Å; L93-A104 HydrophobicContact CD1-CB 4.05Å; A104-V113 HydrophobicContact CB-CG2 4.32Å; A104-L152 HydrophobicContact CB-CD1 4.25Å; A104-L152 HydrophobicContact CB-CD2 4.2Å; A104-L154 HydrophobicContact CB-CD1 4.05Å; A104-L154 HydrophobicContact CB-CD2 4.43Å |
| 105 | V | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.2 | 178.4 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | L49 I85 I103 I111 S112 Y114 | L49-V105 HydrophobicContact CD2-CG2 4.21Å; I85-V105 HydrophobicContact CB-CG1 4.25Å; I85-V105 HydrophobicContact CD1-CG1 4.19Å; I85-V105 HydrophobicContact CG1-CG1 3.73Å; I85-V105 HydrophobicContact CG2-CG1 3.74Å; I103-V105 HydrophobicContact CG2-CG2 4.09Å; V105-I111 WeakPolarHBondContact O-CA 3.22Å; V105-S112 PolarHBondContact N-O 2.82Å; V105-S112 PolarHBondContact O-N 2.96Å; V105-Y114 HydrophobicContact CB-CD2 4.49Å; V105-Y114 HydrophobicContact CB-CE2 4.06Å; V105-Y114 HydrophobicContact CG2-CD2 3.8Å; V105-Y114 HydrophobicContact CG2-CE2 3.72Å |
| 106 | L | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.3 | 174.9 | -177 | 67.6 | 0 | 0 | 0 | 110.2 | L86 C87 I111 T151 L152 V168 | L86-L106 HydrophobicContact CB-CD2 4.3Å; L86-L106 HydrophobicContact CB-CG 4.39Å; L86-L106 PolarHBondContact N-O 2.89Å; C87-L106 HydrophobicContact CB-CB 4.14Å; C87-L106 HydrophobicContact CB-CD2 4.3Å; C87-L106 PolarHBondContact O-N 3.39Å; L106-I111 HydrophobicContact CD1-CG1 4.01Å; L106-T151 VanDerWaalsContact CD2-C 3.49Å; L106-L152 HydrophobicContact CB-CB 3.86Å; L106-L152 HydrophobicContact CB-CD1 3.94Å; L106-L152 HydrophobicContact CD1-CB 4.5Å; L106-L152 HydrophobicContact CD1-CD1 4.32Å; L106-L152 HydrophobicContact CD2-CB 3.85Å; L106-L152 HydrophobicContact CG-CB 4.27Å; L106-V168 HydrophobicContact CD1-CG1 4.01Å; L106-V168 HydrophobicContact CD1-CG2 4.07Å |
| 107 | H | 94.7 | Very high | 89.5 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | trans | -111.1 | 177.9 | 167.3 | -50.3 | -84.8 | 0 | 0 | 0 | 109.4 | T81 H83 P84 R109 M110 S112 | T81-H107 PolarHBondContact OG1-CE1 2.84Å; H83-H107 HydrophobicContact CB-CB 4.38Å; H83-H107 PolarHBondContact O-ND1 2.89Å; P84-H107 PolarHBondContact O-ND1 3.44Å; H107-R109 VanDerWaalsContact C-N 3.31Å; H107-R109 PolarHBondContact O-N 3.43Å; H107-M110 HydrophobicContact CB-CE 4.04Å; H107-M110 HydrophobicContact CB-CG 3.63Å; H107-M110 WeakPolarHBondContact CB-O 3.18Å; H107-M110 WeakPolarHBondContact CD2-CE 3.49Å; H107-M110 VanDerWaalsContact CG-CE 3.47Å; H107-M110 PolarHBondContact N-O 3.36Å; H107-S112 PolarHBondContact CD2-OG 2.94Å; H107-S112 PolarHBondContact NE2-OG 3.44Å; H107-S112 VanDerWaalsContact NE2-OG 3.08Å | ||
| 108 | S | 93 | Very high | 90.4 | Very high | 57 Ų | 57 | 26.3 Ų | 26.3 | 40% | 0.399 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -51.8 | -45.9 | -176.8 | -159.1 | 0 | 0 | 0 | 0 | 113.5 | D148 S149 | S108-D148 CarbonylContact O-C 3.52Å; S108-D148 WeakPolarHBondContact O-CA 3.37Å; S108-D148 PolarHBondContact OG-OD1 3.17Å; S108-S149 WeakPolarHBondContact O-CB 3.17Å; S108-S149 PolarHBondContact O-N 3.34Å; S108-S149 PolarHBondContact O-OG 2.8Å |
| 109 | R | 93.8 | Very high | 90.4 | Very high | 138 Ų | 138 | 27 Ų | 27 | 52% | 0.521 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -134 | 18.7 | -175.2 | -64 | -169.6 | -179.5 | -166.9 | -4.3 | 113.9 | H107 V145 D148 | H107-R109 VanDerWaalsContact C-N 3.31Å; H107-R109 PolarHBondContact O-N 3.43Å; R109-V145 PolarHBondContact O-N 3.5Å; R109-D148 VanDerWaalsContact CG-OD1 3.29Å; R109-D148 WeakPolarHBondContact CG-OD1 3.33Å; R109-D148 IonicContact CZ-OD1 3.62Å; R109-D148 IonicContact CZ-OD2 3.61Å; R109-D148 IonicContact NE-OD1 2.78Å; R109-D148 PolarHBondContact NE-OD1 2.88Å; R109-D148 IonicContact NE-OD2 3.53Å; R109-D148 IonicContact NH2-OD1 3.57Å; R109-D148 IonicContact NH2-OD2 2.81Å; R109-D148 PolarHBondContact NH2-OD2 3.07Å |
| 110 | M | 94 | Very high | 89.4 | Confident | 23 Ų | 23 | 26.4 Ų | 26.4 | 11% | 0.113 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 153.4 | 178.8 | 66.5 | 174.3 | -162 | 0 | 0 | 111.4 | H83 H107 L143 | H83-M110 HydrophobicContact CB-CE 3.67Å; H83-M110 WeakPolarHBondContact CD2-CE 3.08Å; H83-M110 VanDerWaalsContact CG-CE 3.48Å; H107-M110 HydrophobicContact CB-CE 4.04Å; H107-M110 HydrophobicContact CB-CG 3.63Å; H107-M110 WeakPolarHBondContact CB-O 3.18Å; H107-M110 WeakPolarHBondContact CD2-CE 3.49Å; H107-M110 VanDerWaalsContact CG-CE 3.47Å; H107-M110 PolarHBondContact N-O 3.36Å; M110-L143 CarbonylContact C-O 3.55Å; M110-L143 VanDerWaalsContact CA-O 3.23Å; M110-L143 WeakPolarHBondContact CA-O 3.33Å |
| 111 | I | 95.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.9 | 172.7 | -50.5 | 163.6 | 0 | 0 | 0 | 106.4 | V105 L106 V113 K142 L143 V145 L152 I166 V168 F178 | V105-I111 WeakPolarHBondContact O-CA 3.22Å; L106-I111 HydrophobicContact CD1-CG1 4.01Å; I111-V113 HydrophobicContact CG2-CG2 4.21Å; I111-K142 CarbonylContact O-C 3.57Å; I111-K142 VanDerWaalsContact O-CA 3.3Å; I111-K142 WeakPolarHBondContact O-CA 3.26Å; I111-L143 HydrophobicContact CB-CB 4.23Å; I111-L143 HydrophobicContact CD1-CB 4.3Å; I111-L143 HydrophobicContact CD1-CD1 4.24Å; I111-L143 PolarHBondContact N-O 3.24Å; I111-L143 PolarHBondContact O-N 2.85Å; I111-V145 HydrophobicContact CD1-CG2 3.99Å; I111-V145 HydrophobicContact CG1-CG2 3.82Å; I111-L152 HydrophobicContact CG2-CD1 3.9Å; I111-I166 HydrophobicContact CD1-CG2 4.11Å; I111-I166 HydrophobicContact CG2-CD1 4.02Å; I111-V168 HydrophobicContact CD1-CG2 3.5Å; I111-V168 HydrophobicContact CG1-CG2 4.07Å; I111-F178 HydrophobicContact CD1-CD2 3.69Å; I111-F178 HydrophobicContact CD1-CE2 3.92Å; I111-F178 HydrophobicContact CD1-CG 4.16Å |
| 112 | S | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.3 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | V105 H107 Y114 | V105-S112 PolarHBondContact N-O 2.82Å; V105-S112 PolarHBondContact O-N 2.96Å; H107-S112 PolarHBondContact CD2-OG 2.94Å; H107-S112 PolarHBondContact NE2-OG 3.44Å; H107-S112 VanDerWaalsContact NE2-OG 3.08Å; S112-Y114 VanDerWaalsContact CB-CE2 3.44Å |
| 113 | V | 95.2 | Very high | 82 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.7 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | L93 Q102 I103 A104 I111 S140 F141 I166 | L93-V113 HydrophobicContact CB-CG1 4.44Å; L93-V113 HydrophobicContact CD1-CB 4.4Å; L93-V113 HydrophobicContact CD1-CG1 3.58Å; L93-V113 HydrophobicContact CD1-CG2 3.86Å; Q102-V113 HydrophobicContact CB-CG1 3.78Å; Q102-V113 HydrophobicContact CG-CG1 4.25Å; I103-V113 WeakPolarHBondContact O-CA 3.17Å; A104-V113 HydrophobicContact CB-CG2 4.32Å; I111-V113 HydrophobicContact CG2-CG2 4.21Å; V113-S140 WeakPolarHBondContact O-CB 3.4Å; V113-S140 PolarHBondContact O-N 3.39Å; V113-F141 HydrophobicContact CB-CD1 4.21Å; V113-F141 HydrophobicContact CB-CD2 4.28Å; V113-F141 HydrophobicContact CB-CE1 3.87Å; V113-F141 HydrophobicContact CB-CE2 3.95Å; V113-F141 HydrophobicContact CB-CG 4.4Å; V113-F141 HydrophobicContact CB-CZ 3.74Å; V113-F141 HydrophobicContact CG1-CD1 4.42Å; V113-F141 HydrophobicContact CG1-CE1 3.79Å; V113-F141 HydrophobicContact CG1-CZ 3.89Å; V113-F141 HydrophobicContact CG2-CD2 4.19Å; V113-F141 HydrophobicContact CG2-CE1 4.21Å; V113-F141 HydrophobicContact CG2-CE2 3.52Å; V113-F141 HydrophobicContact CG2-CZ 3.54Å; V113-F141 PolarHBondContact N-O 3.41Å; V113-F141 PolarHBondContact O-N 2.88Å; V113-I166 HydrophobicContact CG2-CD1 3.98Å |
| 114 | Y | 93.8 | Very high | 78.9 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.5 | -176.3 | -60.7 | -87 | 0 | 0 | 0 | 111.7 | Y79 T81 Q102 I103 V105 S112 L137 T138 L139 | Y79-Y114 AromaticContact CE1-CE1 3.85Å; Y79-Y114 HydrophobicContact CE1-CE1 3.85Å; T81-Y114 HydrophobicContact CG2-CE2 4.25Å; Q102-Y114 WeakPolarHBondContact CA-O 3.31Å; I103-Y114 PolarHBondContact N-O 2.89Å; I103-Y114 PolarHBondContact O-N 2.93Å; V105-Y114 HydrophobicContact CB-CD2 4.49Å; V105-Y114 HydrophobicContact CB-CE2 4.06Å; V105-Y114 HydrophobicContact CG2-CD2 3.8Å; V105-Y114 HydrophobicContact CG2-CE2 3.72Å; S112-Y114 VanDerWaalsContact CB-CE2 3.44Å; Y114-L137 HydrophobicContact CD1-CD2 3.81Å; Y114-L137 HydrophobicContact CD1-CG 3.89Å; Y114-L137 HydrophobicContact CD2-CD2 4.44Å; Y114-L137 HydrophobicContact CE1-CD2 4.34Å; Y114-L137 HydrophobicContact CG-CD1 4.29Å; Y114-L137 HydrophobicContact CG-CD2 3.88Å; Y114-L137 HydrophobicContact CG-CG 3.97Å; Y114-T138 CarbonylContact C-O 3.59Å; Y114-T138 WeakPolarHBondContact CA-O 3.49Å; Y114-L139 HydrophobicContact CD1-CB 4.06Å; Y114-L139 HydrophobicContact CD1-CD1 4.06Å; Y114-L139 HydrophobicContact CE1-CB 3.98Å; Y114-L139 HydrophobicContact CE1-CD1 3.67Å; Y114-L139 HydrophobicContact CE1-CG 4.45Å |
| 115 | N | 91.9 | Very high | 75.7 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.3 | 165.5 | -63.3 | -24.5 | 0 | 0 | 0 | 108.7 | Q102 L137 T138 | Q102-N115 WeakPolarHBondContact CG-OD1 3.38Å; N115-L137 WeakPolarHBondContact O-CA 3.29Å; N115-T138 PolarHBondContact N-O 2.97Å; N115-T138 PolarHBondContact O-N 3.41Å; N115-T138 PolarHBondContact O-OG1 3.46Å |
| 116 | F | 89.6 | Confident | 72.4 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.9 | 175.6 | -178.4 | -112.9 | 0 | 0 | 0 | 108.9 | L30 F39 I51 L77 Y100 I103 W135 L137 | L30-F116 HydrophobicContact CB-CD1 4.48Å; L30-F116 HydrophobicContact CD1-CD1 3.78Å; L30-F116 HydrophobicContact CD1-CE1 3.88Å; L30-F116 HydrophobicContact CD1-CG 4.43Å; F39-F116 HydrophobicContact CE1-CE1 4.36Å; I51-F116 HydrophobicContact CD1-CD2 3.85Å; I51-F116 HydrophobicContact CD1-CE2 3.77Å; I51-F116 HydrophobicContact CD1-CZ 4.38Å; I51-F116 HydrophobicContact CG2-CZ 4.35Å; L77-F116 HydrophobicContact CB-CE2 4.44Å; Y100-F116 WeakPolarHBondContact CB-O 3.08Å; Y100-F116 AromaticContact CD1-CD1 3.98Å; Y100-F116 HydrophobicContact CD1-CD1 3.98Å; Y100-F116 HydrophobicContact CD1-CE1 4.41Å; Y100-F116 WeakPolarHBondContact CD2-O 3.25Å; Y100-F116 HydrophobicContact CE1-CD1 4.47Å; Y100-F116 HydrophobicContact CG-CD1 4.38Å; I103-F116 HydrophobicContact CD1-CB 4.04Å; I103-F116 HydrophobicContact CD1-CG 4.4Å; F116-W135 HydrophobicContact CD1-CE3 4.19Å; F116-W135 HydrophobicContact CD1-CZ3 4.19Å; F116-W135 HydrophobicContact CE1-CD2 4.16Å; F116-W135 AromaticContact CE1-CE3 3.33Å; F116-W135 HydrophobicContact CE1-CE3 3.33Å; F116-W135 HydrophobicContact CE1-CH2 4.21Å; F116-W135 AromaticContact CE1-CZ3 3.35Å; F116-W135 HydrophobicContact CE1-CZ3 3.35Å; F116-W135 HydrophobicContact CE2-CB 3.95Å; F116-W135 HydrophobicContact CE2-CD2 4.2Å; F116-W135 AromaticContact CE2-CE3 3.83Å; F116-W135 HydrophobicContact CE2-CE3 3.83Å; F116-W135 HydrophobicContact CE2-CG 4.28Å; F116-W135 HydrophobicContact CZ-CB 4.19Å; F116-W135 AromaticContact CZ-CD2 3.54Å; F116-W135 HydrophobicContact CZ-CD2 3.54Å; F116-W135 AromaticContact CZ-CE3 3.11Å; F116-W135 HydrophobicContact CZ-CE3 3.11Å; F116-W135 HydrophobicContact CZ-CG 4.01Å; F116-W135 HydrophobicContact CZ-CH2 4.48Å; F116-W135 AromaticContact CZ-CZ3 3.65Å; F116-W135 HydrophobicContact CZ-CZ3 3.65Å; F116-L137 HydrophobicContact CB-CD1 4.2Å; F116-L137 HydrophobicContact CD2-CD1 4.14Å |
| 117 | A | 85.3 | Confident | 69.2 | Low | 46 Ų | 46 | 64.1 Ų | 64.1 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 153.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K136 | A117-K136 PolarHBondContact N-O 3.04Å; A117-K136 PolarHBondContact O-N 3.44Å |
| 118 | K | 80 | Confident | 66.1 | Low | 40 Ų | 40 | 72 Ų | 72 | 17% | 0.174 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 140.6 | 171.2 | -162.3 | -179.1 | 178.5 | -168 | 0 | 109.7 | D120 W135 | K118-D120 VanDerWaalsContact C-N 3.34Å; K118-D120 PolarHBondContact O-N 2.86Å; K118-W135 HydrophobicContact CB-CD2 4.43Å; K118-W135 HydrophobicContact CB-CE3 3.84Å; K118-W135 HydrophobicContact CB-CH2 4.15Å; K118-W135 HydrophobicContact CB-CZ3 3.7Å; K118-W135 HydrophobicContact CD-CH2 4.19Å; K118-W135 HydrophobicContact CD-CZ2 4.21Å; K118-W135 HydrophobicContact CG-CD2 4.32Å; K118-W135 HydrophobicContact CG-CE3 4.22Å; K118-W135 HydrophobicContact CG-CH2 4.29Å; K118-W135 HydrophobicContact CG-CZ2 4.37Å; K118-W135 HydrophobicContact CG-CZ3 4.22Å |
| 119 | S | 69.2 | Low | 63.4 | Low | 54 Ų | 54 | 76.1 Ų | 76.1 | 38% | 0.378 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.3 | -173.1 | 49 | 0 | 0 | 0 | 0 | 116.2 | S134 | S119-S134 WeakPolarHBondContact CB-O 2.85Å; S119-S134 WeakPolarHBondContact CB-OG 3.14Å; S119-S134 PolarHBondContact N-O 3.2Å; S119-S134 PolarHBondContact OG-N 3.22Å; S119-S134 PolarHBondContact OG-O 3.4Å; S119-S134 PolarHBondContact OG-OG 2.78Å |
| 120 | D | 57.9 | Low | 60.8 | Low | 87 Ų | 87 | 75.2 Ų | 75.2 | 47% | 0.465 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 28.1 | -161.5 | -62.9 | -59.8 | 0 | 0 | 0 | 116.3 | K118 S122 | K118-D120 VanDerWaalsContact C-N 3.34Å; K118-D120 PolarHBondContact O-N 2.86Å; D120-S122 PolarHBondContact O-N 2.84Å |
| 121 | D | 49.1 | Very low | 58.3 | Low | 98 Ų | 98 | 76.9 Ų | 76.9 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | trans | -74.6 | 28.9 | 177.5 | -85.7 | -28.8 | 0 | 0 | 0 | 115.1 | Q99 | Q99-D121 PolarHBondContact OE1-OD2 3.22Å; Q99-D121 VanDerWaalsContact OE1-OD2 3.14Å | ||
| 122 | S | 31.4 | Very low | 55.7 | Low | 93 Ų | 93 | 80.7 Ų | 80.7 | 65% | 0.65 | 48% | 0.475 | S | S | * | . | trans | -111.8 | 92.7 | 159.3 | 63.2 | 0 | 0 | 0 | 0 | 109.1 | D120 | D120-S122 PolarHBondContact O-N 2.84Š| ||
| 123 | F | 28.8 | Very low | 53.6 | Low | 201 Ų | 201 | 85.9 Ų | 85.9 | 88% | 0.882 | 50% | 0.499 | S | S | * | . | 171.7 | 133.9 | 129.7 | -107.7 | -95.5 | 0 | 0 | 0 | 111.4 | |||||
| 124 | Q | 29.5 | Very low | 52.3 | Low | 197 Ų | 197 | 89.7 Ų | 89.7 | 92% | 0.921 | 53% | 0.526 | S | S | * | . | trans | -58.8 | 131 | 168.5 | -63.8 | 166.9 | -8.3 | 0 | 0 | 110.3 | ||||
| 125 | G | 30 | Very low | 51.8 | Low | 73 Ų | 73 | 91 Ų | 91 | 75% | 0.753 | 53% | 0.531 | S | S | * | . | trans | 152.4 | 108.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S127 | G125-S127 PolarHBondContact O-N 3.23Š| ||
| 126 | G | 25 | Very low | 51.5 | Low | 87 Ų | 87 | 95.2 Ų | 95.2 | 90% | 0.897 | 55% | 0.547 | S | S | * | . | trans | -63.8 | 122.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 127 | S | 29.4 | Very low | 51.6 | Low | 93 Ų | 93 | 95.6 Ų | 95.6 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | trans | -161 | 125.8 | 146.7 | 58.2 | 0 | 0 | 0 | 0 | 107.2 | G125 N129 | G125-S127 PolarHBondContact O-N 3.23Å; S127-N129 PolarHBondContact O-N 3.27Å | ||
| 128 | D | 30.8 | Very low | 51.9 | Low | 169 Ų | 169 | 95.9 Ų | 95.9 | 90% | 0.904 | 55% | 0.547 | S | S | * | . | trans | -68.6 | 37.4 | -170.8 | -65.6 | -40.7 | 0 | 0 | 0 | 115.3 | ||||
| 129 | N | 36.1 | Very low | 52.5 | Low | 143 Ų | 143 | 97.7 Ų | 97.7 | 77% | 0.765 | 56% | 0.558 | S | S | * | * | trans | -103.8 | 90.8 | 174.4 | -72.4 | -10.5 | 0 | 0 | 0 | 109.5 | S127 S131 | S127-N129 PolarHBondContact O-N 3.27Å; N129-S131 VanDerWaalsContact C-N 3.34Å; N129-S131 PolarHBondContact O-N 2.75Å | ||
| 130 | F | 38.2 | Very low | 53.5 | Low | 118 Ų | 118 | 97.4 Ų | 97.4 | 52% | 0.518 | 56% | 0.556 | S | S | . | * | trans | -65.3 | 87.3 | 171.4 | -114.2 | -94.2 | 0 | 0 | 0 | 110.1 | R55 L132 | R55-F130 PolarHBondContact NH2-O 3.26Å; F130-L132 PolarHBondContact O-N 2.95Å | ||
| 131 | S | 41.2 | Very low | 55.2 | Low | 59 Ų | 59 | 94.9 Ų | 94.9 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | trans | -62.9 | 134.5 | 168.1 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | N129 E133 | N129-S131 VanDerWaalsContact C-N 3.34Å; N129-S131 PolarHBondContact O-N 2.75Å; S131-E133 WeakPolarHBondContact CB-OE2 3.25Å; S131-E133 PolarHBondContact O-N 2.9Å; S131-E133 VanDerWaalsContact O-N 3.08Å; S131-E133 PolarHBondContact OG-OE2 3.2Å | ||
| 132 | L | 42.3 | Very low | 57.3 | Low | 79 Ų | 79 | 95 Ų | 95 | 41% | 0.414 | 54% | 0.537 | S | S | . | . | trans | -84.5 | 68.8 | 178.1 | -155.3 | 106 | 0 | 0 | 0 | 107.9 | R55 N73 F130 | R55-L132 VanDerWaalsContact CZ-CD1 3.49Å; N73-L132 VanDerWaalsContact O-CD1 3.28Å; N73-L132 WeakPolarHBondContact O-CD1 3.33Å; F130-L132 PolarHBondContact O-N 2.95Å | ||
| 133 | E | 51.8 | Low | 60.3 | Low | 109 Ų | 109 | 91.4 Ų | 91.4 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | trans | -112.4 | 142.9 | 179.1 | -72.2 | 168.6 | 150.7 | 0 | 0 | 110 | S131 | S131-E133 WeakPolarHBondContact CB-OE2 3.25Å; S131-E133 PolarHBondContact O-N 2.9Å; S131-E133 VanDerWaalsContact O-N 3.08Å; S131-E133 PolarHBondContact OG-OE2 3.2Å | ||
| 134 | S | 66.7 | Low | 63.4 | Low | 81 Ų | 81 | 88.1 Ų | 88.1 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | trans | -41 | 117.3 | -144.7 | 44.6 | 0 | 0 | 0 | 0 | 120 | S119 | S119-S134 WeakPolarHBondContact CB-O 2.85Å; S119-S134 WeakPolarHBondContact CB-OG 3.14Å; S119-S134 PolarHBondContact N-O 3.2Å; S119-S134 PolarHBondContact OG-N 3.22Å; S119-S134 PolarHBondContact OG-O 3.4Å; S119-S134 PolarHBondContact OG-OG 2.78Å | ||
| 135 | W | 83 | Confident | 66.3 | Low | 33 Ų | 33 | 79 Ų | 79 | 13% | 0.125 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 143 | 160.2 | -63.2 | 95 | 0 | 0 | 0 | 110.8 | F39 C76 L77 Y100 F116 K118 | F39-W135 HydrophobicContact CE1-CH2 4.4Å; F39-W135 HydrophobicContact CE1-CZ2 4.44Å; F39-W135 HydrophobicContact CZ-CH2 4.22Å; C76-W135 HydrophobicContact CB-CG 4.06Å; L77-W135 HydrophobicContact CB-CB 4.46Å; L77-W135 HydrophobicContact CD1-CB 4.42Å; Y100-W135 HydrophobicContact CE1-CH2 4.13Å; Y100-W135 AromaticContact CE1-CZ3 3.75Å; Y100-W135 HydrophobicContact CE1-CZ3 3.75Å; Y100-W135 AromaticContact CZ-CZ3 3.78Å; F116-W135 HydrophobicContact CD1-CE3 4.19Å; F116-W135 HydrophobicContact CD1-CZ3 4.19Å; F116-W135 HydrophobicContact CE1-CD2 4.16Å; F116-W135 AromaticContact CE1-CE3 3.33Å; F116-W135 HydrophobicContact CE1-CE3 3.33Å; F116-W135 HydrophobicContact CE1-CH2 4.21Å; F116-W135 AromaticContact CE1-CZ3 3.35Å; F116-W135 HydrophobicContact CE1-CZ3 3.35Å; F116-W135 HydrophobicContact CE2-CB 3.95Å; F116-W135 HydrophobicContact CE2-CD2 4.2Å; F116-W135 AromaticContact CE2-CE3 3.83Å; F116-W135 HydrophobicContact CE2-CE3 3.83Å; F116-W135 HydrophobicContact CE2-CG 4.28Å; F116-W135 HydrophobicContact CZ-CB 4.19Å; F116-W135 AromaticContact CZ-CD2 3.54Å; F116-W135 HydrophobicContact CZ-CD2 3.54Å; F116-W135 AromaticContact CZ-CE3 3.11Å; F116-W135 HydrophobicContact CZ-CE3 3.11Å; F116-W135 HydrophobicContact CZ-CG 4.01Å; F116-W135 HydrophobicContact CZ-CH2 4.48Å; F116-W135 AromaticContact CZ-CZ3 3.65Å; F116-W135 HydrophobicContact CZ-CZ3 3.65Å; K118-W135 HydrophobicContact CB-CD2 4.43Å; K118-W135 HydrophobicContact CB-CE3 3.84Å; K118-W135 HydrophobicContact CB-CH2 4.15Å; K118-W135 HydrophobicContact CB-CZ3 3.7Å; K118-W135 HydrophobicContact CD-CH2 4.19Å; K118-W135 HydrophobicContact CD-CZ2 4.21Å; K118-W135 HydrophobicContact CG-CD2 4.32Å; K118-W135 HydrophobicContact CG-CE3 4.22Å; K118-W135 HydrophobicContact CG-CH2 4.29Å; K118-W135 HydrophobicContact CG-CZ2 4.37Å; K118-W135 HydrophobicContact CG-CZ3 4.22Å |
| 136 | K | 87 | Confident | 69 | Low | 134 Ų | 134 | 82.1 Ų | 82.1 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.6 | 178.9 | -168.6 | -178.9 | -178.3 | -177.4 | 0 | 110.7 | A117 T138 | A117-K136 PolarHBondContact N-O 3.04Å; A117-K136 PolarHBondContact O-N 3.44Å; K136-T138 HydrophobicContact CD-CG2 3.96Å; K136-T138 HydrophobicContact CG-CG2 4.07Å |
| 137 | L | 90.4 | Very high | 72.1 | Confident | 13 Ų | 13 | 81.2 Ų | 81.2 | 7% | 0.068 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.3 | 170.6 | -164.3 | 75.9 | 0 | 0 | 0 | 108.8 | L49 L77 Y79 I103 Y114 N115 F116 | L49-L137 HydrophobicContact CD2-CD2 3.93Å; L77-L137 HydrophobicContact CD1-CB 3.7Å; L77-L137 HydrophobicContact CD2-CB 3.92Å; L77-L137 HydrophobicContact CD2-CD2 4.1Å; L77-L137 HydrophobicContact CD2-CG 4.46Å; L77-L137 HydrophobicContact CG-CB 4.49Å; Y79-L137 HydrophobicContact CD1-CD2 3.82Å; Y79-L137 HydrophobicContact CD2-CB 4.43Å; Y79-L137 HydrophobicContact CD2-CD2 4.25Å; Y79-L137 HydrophobicContact CE1-CD2 4.45Å; Y79-L137 HydrophobicContact CG-CD2 3.72Å; I103-L137 HydrophobicContact CD1-CD1 4.05Å; Y114-L137 HydrophobicContact CD1-CD2 3.81Å; Y114-L137 HydrophobicContact CD1-CG 3.89Å; Y114-L137 HydrophobicContact CD2-CD2 4.44Å; Y114-L137 HydrophobicContact CE1-CD2 4.34Å; Y114-L137 HydrophobicContact CG-CD1 4.29Å; Y114-L137 HydrophobicContact CG-CD2 3.88Å; Y114-L137 HydrophobicContact CG-CG 3.97Å; N115-L137 WeakPolarHBondContact O-CA 3.29Å; F116-L137 HydrophobicContact CB-CD1 4.2Å; F116-L137 HydrophobicContact CD2-CD1 4.14Å |
| 138 | T | 91.2 | Very high | 75.1 | Confident | 53 Ų | 53 | 79.4 Ų | 79.4 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.7 | 177.6 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | Y114 N115 K136 S140 | Y114-T138 CarbonylContact C-O 3.59Å; Y114-T138 WeakPolarHBondContact CA-O 3.49Å; N115-T138 PolarHBondContact N-O 2.97Å; N115-T138 PolarHBondContact O-N 3.41Å; N115-T138 PolarHBondContact O-OG1 3.46Å; K136-T138 HydrophobicContact CD-CG2 3.96Å; K136-T138 HydrophobicContact CG-CG2 4.07Å; T138-S140 PolarHBondContact O-N 2.85Å |
| 139 | L | 92.6 | Very high | 78.1 | Confident | 78 Ų | 78 | 71.7 Ų | 71.7 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 123.2 | 174 | -179.1 | 74.5 | 0 | 0 | 0 | 110.2 | Y114 K142 | Y114-L139 HydrophobicContact CD1-CB 4.06Å; Y114-L139 HydrophobicContact CD1-CD1 4.06Å; Y114-L139 HydrophobicContact CE1-CB 3.98Å; Y114-L139 HydrophobicContact CE1-CD1 3.67Å; Y114-L139 HydrophobicContact CE1-CG 4.45Å; L139-K142 HydrophobicContact CD1-CG 3.89Å; L139-K142 HydrophobicContact CD2-CD 4.08Å; L139-K142 HydrophobicContact CD2-CG 3.99Å; L139-K142 HydrophobicContact CG-CG 4.41Å |
| 140 | S | 91.3 | Very high | 80.7 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -52.2 | 176.8 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | V113 T138 | V113-S140 WeakPolarHBondContact O-CB 3.4Å; V113-S140 PolarHBondContact O-N 3.39Å; T138-S140 PolarHBondContact O-N 2.85Å |
| 141 | F | 93.1 | Very high | 83.3 | Confident | 35 Ų | 35 | 66 Ų | 66 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 162 | 176.5 | 58.8 | -90.4 | 0 | 0 | 0 | 110.9 | L93 V94 V113 L143 A180 | L93-F141 HydrophobicContact CB-CZ 4.46Å; V94-F141 HydrophobicContact CG2-CE1 3.98Å; V113-F141 HydrophobicContact CB-CD1 4.21Å; V113-F141 HydrophobicContact CB-CD2 4.28Å; V113-F141 HydrophobicContact CB-CE1 3.87Å; V113-F141 HydrophobicContact CB-CE2 3.95Å; V113-F141 HydrophobicContact CB-CG 4.4Å; V113-F141 HydrophobicContact CB-CZ 3.74Å; V113-F141 HydrophobicContact CG1-CD1 4.42Å; V113-F141 HydrophobicContact CG1-CE1 3.79Å; V113-F141 HydrophobicContact CG1-CZ 3.89Å; V113-F141 HydrophobicContact CG2-CD2 4.19Å; V113-F141 HydrophobicContact CG2-CE1 4.21Å; V113-F141 HydrophobicContact CG2-CE2 3.52Å; V113-F141 HydrophobicContact CG2-CZ 3.54Å; V113-F141 PolarHBondContact N-O 3.41Å; V113-F141 PolarHBondContact O-N 2.88Å; F141-L143 HydrophobicContact CD2-CD1 4.3Å; F141-L143 HydrophobicContact CD2-CD2 4.1Å; F141-L143 HydrophobicContact CD2-CG 3.87Å; F141-L143 HydrophobicContact CE2-CD1 3.82Å; F141-L143 HydrophobicContact CE2-CD2 4.36Å; F141-L143 HydrophobicContact CE2-CG 3.92Å; F141-A180 HydrophobicContact CD1-CB 4.44Å; F141-A180 HydrophobicContact CE1-CB 3.87Å; F141-A180 HydrophobicContact CE2-CB 4.47Å; F141-A180 HydrophobicContact CZ-CB 3.88Å |
| 142 | K | 93.9 | Very high | 85.8 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.8 | 173.1 | -72.5 | -178.1 | 173.7 | -177.1 | 0 | 109.5 | I111 L139 | I111-K142 CarbonylContact O-C 3.57Å; I111-K142 VanDerWaalsContact O-CA 3.3Å; I111-K142 WeakPolarHBondContact O-CA 3.26Å; L139-K142 HydrophobicContact CD1-CG 3.89Å; L139-K142 HydrophobicContact CD2-CD 4.08Å; L139-K142 HydrophobicContact CD2-CG 3.99Å; L139-K142 HydrophobicContact CG-CG 4.41Å |
| 143 | L | 94.1 | Very high | 88.3 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.9 | 174.2 | -57.2 | 171.6 | 0 | 0 | 0 | 109.4 | M110 I111 F141 I166 F178 | M110-L143 CarbonylContact C-O 3.55Å; M110-L143 VanDerWaalsContact CA-O 3.23Å; M110-L143 WeakPolarHBondContact CA-O 3.33Å; I111-L143 HydrophobicContact CB-CB 4.23Å; I111-L143 HydrophobicContact CD1-CB 4.3Å; I111-L143 HydrophobicContact CD1-CD1 4.24Å; I111-L143 PolarHBondContact N-O 3.24Å; I111-L143 PolarHBondContact O-N 2.85Å; F141-L143 HydrophobicContact CD2-CD1 4.3Å; F141-L143 HydrophobicContact CD2-CD2 4.1Å; F141-L143 HydrophobicContact CD2-CG 3.87Å; F141-L143 HydrophobicContact CE2-CD1 3.82Å; F141-L143 HydrophobicContact CE2-CD2 4.36Å; F141-L143 HydrophobicContact CE2-CG 3.92Å; L143-I166 HydrophobicContact CD1-CD1 4.34Å; L143-F178 HydrophobicContact CB-CD1 4.44Å; L143-F178 HydrophobicContact CD1-CB 3.63Å; L143-F178 HydrophobicContact CD1-CD1 4.07Å; L143-F178 HydrophobicContact CD1-CG 4.03Å |
| 144 | N | 92.9 | Very high | 90.2 | Very high | 133 Ų | 133 | 56.7 Ų | 56.7 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.4 | 175.9 | -71.4 | -17.1 | 0 | 0 | 0 | 110.3 | ||
| 145 | V | 90.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | trans | -107.1 | 125.8 | 172.8 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | R109 I111 K147 V168 T170 F178 | R109-V145 PolarHBondContact O-N 3.5Å; I111-V145 HydrophobicContact CD1-CG2 3.99Å; I111-V145 HydrophobicContact CG1-CG2 3.82Å; V145-K147 VanDerWaalsContact C-N 3.27Å; V145-K147 WeakPolarHBondContact CG1-O 3.26Å; V145-K147 PolarHBondContact O-N 3.48Å; V145-V168 HydrophobicContact CG1-CG1 4.34Å; V145-T170 HydrophobicContact CG1-CG2 4.17Å; V145-F178 HydrophobicContact CG2-CE2 4.25Å; V145-F178 HydrophobicContact CG2-CZ 4.15Å | ||
| 146 | Q | 87.9 | Confident | 91.4 | Very high | 139 Ų | 139 | 56.1 Ų | 56.1 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -66.8 | -28.8 | -172 | -63.3 | -178.3 | 3.4 | 0 | 0 | 113.3 | ||
| 147 | K | 89.5 | Confident | 91.2 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 30% | 0.296 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -119.3 | 165.2 | -177.2 | -60.8 | 179.8 | -177.5 | 173.7 | 0 | 110.7 | V145 S149 T170 D172 S174 Y176 | V145-K147 VanDerWaalsContact C-N 3.27Å; V145-K147 WeakPolarHBondContact CG1-O 3.26Å; V145-K147 PolarHBondContact O-N 3.48Å; K147-S149 PolarHBondContact O-N 2.92Å; K147-T170 HydrophobicContact CB-CG2 3.89Å; K147-D172 VanDerWaalsContact CD-OD2 3.27Å; K147-D172 WeakPolarHBondContact CD-OD2 3.36Å; K147-D172 WeakPolarHBondContact CE-OD2 3.33Å; K147-D172 IonicContact NZ-OD2 2.67Å; K147-D172 PolarHBondContact NZ-OD2 3.21Å; K147-S174 PolarHBondContact NZ-OG 2.87Å; K147-Y176 HydrophobicContact CD-CE2 4.39Å; K147-Y176 WeakPolarHBondContact CE-OH 3.27Å |
| 148 | D | 92.4 | Very high | 90.8 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | trans | -66.8 | 129.2 | 176 | -66.4 | -53.2 | 0 | 0 | 0 | 111.1 | S108 R109 T170 V171 | S108-D148 CarbonylContact O-C 3.52Å; S108-D148 WeakPolarHBondContact O-CA 3.37Å; S108-D148 PolarHBondContact OG-OD1 3.17Å; R109-D148 VanDerWaalsContact CG-OD1 3.29Å; R109-D148 WeakPolarHBondContact CG-OD1 3.33Å; R109-D148 IonicContact CZ-OD1 3.62Å; R109-D148 IonicContact CZ-OD2 3.61Å; R109-D148 IonicContact NE-OD1 2.78Å; R109-D148 PolarHBondContact NE-OD1 2.88Å; R109-D148 IonicContact NE-OD2 3.53Å; R109-D148 IonicContact NH2-OD1 3.57Å; R109-D148 IonicContact NH2-OD2 2.81Å; R109-D148 PolarHBondContact NH2-OD2 3.07Å; D148-T170 CarbonylContact O-C 3.59Å; D148-T170 VanDerWaalsContact O-CA 3.28Å; D148-T170 WeakPolarHBondContact O-CA 3.32Å; D148-T170 VanDerWaalsContact O-CB 3.26Å; D148-T170 WeakPolarHBondContact O-CB 3.4Å; D148-V171 HydrophobicContact CB-CG2 4.17Å; D148-V171 PolarHBondContact O-N 3Å | ||
| 149 | S | 93.7 | Very high | 90 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 149.1 | -172.4 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | L86 S108 K147 | L86-S149 WeakPolarHBondContact CD1-O 3.2Å; S108-S149 WeakPolarHBondContact O-CB 3.17Å; S108-S149 PolarHBondContact O-N 3.34Å; S108-S149 PolarHBondContact O-OG 2.8Å; K147-S149 PolarHBondContact O-N 2.92Å |
| 150 | Y | 91 | Very high | 89.1 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 43% | 0.431 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -51.9 | 178.5 | 176.5 | -107.2 | 0 | 0 | 0 | 111.6 | Q169 P195 | Y150-Q169 WeakPolarHBondContact CA-O 3.5Å; Y150-Q169 WeakPolarHBondContact CB-O 3.22Å; Y150-Q169 PolarHBondContact N-O 3.18Å; Y150-P195 HydrophobicContact CD1-CB 3.65Å; Y150-P195 HydrophobicContact CD1-CG 3.85Å; Y150-P195 HydrophobicContact CD2-CB 4.41Å; Y150-P195 HydrophobicContact CD2-CG 3.69Å; Y150-P195 HydrophobicContact CE1-CB 4.02Å; Y150-P195 HydrophobicContact CE1-CG 4.16Å; Y150-P195 HydrophobicContact CE2-CG 4.01Å; Y150-P195 HydrophobicContact CG-CB 3.86Å; Y150-P195 HydrophobicContact CG-CG 3.6Å |
| 151 | T | 93 | Very high | 88.6 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 160.6 | 177.9 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | L106 V168 Q169 I198 | L106-T151 VanDerWaalsContact CD2-C 3.49Å; T151-V168 WeakPolarHBondContact O-CA 3.27Å; T151-Q169 HydrophobicContact CG2-CB 3.94Å; T151-Q169 PolarHBondContact N-O 2.89Å; T151-Q169 PolarHBondContact O-N 3.39Å; T151-I198 HydrophobicContact CG2-CG2 3.45Å; T151-I198 VanDerWaalsContact CG2-CG2 3.45Å |
| 152 | L | 94.2 | Very high | 88.1 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.7 | 179 | 178.4 | 151.5 | 0 | 0 | 0 | 109.3 | C87 D89 A104 L106 I111 L154 I166 C167 V168 | C87-L152 HydrophobicContact CB-CB 4.29Å; D89-L152 HydrophobicContact CB-CD2 3.38Å; A104-L152 HydrophobicContact CB-CD1 4.25Å; A104-L152 HydrophobicContact CB-CD2 4.2Å; L106-L152 HydrophobicContact CB-CB 3.86Å; L106-L152 HydrophobicContact CB-CD1 3.94Å; L106-L152 HydrophobicContact CD1-CB 4.5Å; L106-L152 HydrophobicContact CD1-CD1 4.32Å; L106-L152 HydrophobicContact CD2-CB 3.85Å; L106-L152 HydrophobicContact CG-CB 4.27Å; I111-L152 HydrophobicContact CG2-CD1 3.9Å; L152-L154 HydrophobicContact CD2-CD2 4.11Å; L152-L154 HydrophobicContact CD2-CG 3.98Å; L152-I166 HydrophobicContact CD1-CG2 3.46Å; L152-I166 VanDerWaalsContact CD1-CG2 3.46Å; L152-I166 HydrophobicContact CD2-CG2 4.25Å; L152-I166 HydrophobicContact CG-CG2 3.66Å; L152-C167 CarbonylContact C-O 3.54Å; L152-C167 WeakPolarHBondContact CA-O 3.25Å; L152-V168 HydrophobicContact CD1-CG2 4.33Å |
| 153 | L | 93.4 | Very high | 87.7 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.2 | 178.1 | 174 | 69.1 | 0 | 0 | 0 | 109.5 | F157 C167 I198 F200 L207 | L153-F157 HydrophobicContact CD2-CZ 4.1Å; L153-F157 HydrophobicContact CG-CZ 4.31Å; L153-C167 HydrophobicContact CB-CB 4.42Å; L153-C167 PolarHBondContact N-O 3.32Å; L153-C167 PolarHBondContact O-N 3.47Å; L153-I198 HydrophobicContact CD2-CG1 4.17Å; L153-F200 HydrophobicContact CD2-CB 3.67Å; L153-F200 HydrophobicContact CG-CB 4.29Å; L153-L207 HydrophobicContact CD2-CD1 3.91Å |
| 154 | L | 92.8 | Very high | 87.5 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.6 | 174.1 | -61.5 | 179.1 | 0 | 0 | 0 | 111.5 | D89 C90 L93 A104 L152 I166 | D89-L154 HydrophobicContact CB-CD1 3.84Å; D89-L154 HydrophobicContact CB-CG 3.86Å; D89-L154 WeakPolarHBondContact OD2-CB 3.36Å; D89-L154 PolarHBondContact OD2-N 3.37Å; C90-L154 VanDerWaalsContact C-CD1 3.44Å; L93-L154 HydrophobicContact CD1-CD1 4.4Å; L93-L154 HydrophobicContact CD1-CD2 4.48Å; L93-L154 HydrophobicContact CD2-CD2 3.9Å; A104-L154 HydrophobicContact CB-CD1 4.05Å; A104-L154 HydrophobicContact CB-CD2 4.43Å; L152-L154 HydrophobicContact CD2-CD2 4.11Å; L152-L154 HydrophobicContact CD2-CG 3.98Å; L154-I166 HydrophobicContact CD2-CB 3.84Å; L154-I166 HydrophobicContact CD2-CD1 4.3Å; L154-I166 HydrophobicContact CD2-CG1 3.53Å; L154-I166 HydrophobicContact CD2-CG2 3.83Å |
| 155 | G | 88.3 | Confident | 87.5 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | 164.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F157 V165 | G155-F157 WeakPolarHBondContact O-CD2 3.39Å; G155-F157 PolarHBondContact O-N 2.86Å; G155-V165 PolarHBondContact N-O 3.28Å; G155-V165 PolarHBondContact O-N 3.39Å |
| 156 | K | 86.3 | Confident | 87.7 | Confident | 99 Ų | 99 | 47 Ų | 47 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | trans | -83.8 | 71.2 | 170.2 | -61.1 | -164.3 | 179.6 | -158.2 | 0 | 110 | F158 Q162 D164 F200 | K156-F158 PolarHBondContact O-N 3.16Å; K156-Q162 WeakPolarHBondContact CE-O 3.26Å; K156-Q162 PolarHBondContact NZ-O 3.12Å; K156-D164 VanDerWaalsContact CE-OD1 3.31Å; K156-D164 WeakPolarHBondContact CE-OD1 3.43Å; K156-D164 WeakPolarHBondContact CG-OD1 3.19Å; K156-F200 WeakPolarHBondContact O-CZ 3.45Å | ||
| 157 | F | 83.6 | Confident | 88 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -59.2 | -33 | 179.3 | -67.7 | -82.7 | 0 | 0 | 0 | 112.4 | L153 G155 V165 C167 F177 F200 L207 F220 | L153-F157 HydrophobicContact CD2-CZ 4.1Å; L153-F157 HydrophobicContact CG-CZ 4.31Å; G155-F157 WeakPolarHBondContact O-CD2 3.39Å; G155-F157 PolarHBondContact O-N 2.86Å; F157-V165 HydrophobicContact CD2-CB 3.88Å; F157-V165 HydrophobicContact CD2-CG1 3.99Å; F157-V165 WeakPolarHBondContact CE2-O 3.48Å; F157-C167 HydrophobicContact CE1-CB 4.42Å; F157-C167 HydrophobicContact CE2-CB 3.83Å; F157-C167 HydrophobicContact CZ-CB 3.56Å; F157-F177 AromaticContact CD1-CE1 3.77Å; F157-F177 HydrophobicContact CD1-CE1 3.77Å; F157-F177 HydrophobicContact CD2-CD1 4.3Å; F157-F177 HydrophobicContact CD2-CE1 4.26Å; F157-F177 AromaticContact CE1-CE1 3.87Å; F157-F177 HydrophobicContact CE1-CE1 3.87Å; F157-F177 HydrophobicContact CE2-CE1 4.33Å; F157-F177 HydrophobicContact CG-CD1 4.3Å; F157-F177 AromaticContact CG-CE1 3.98Å; F157-F177 HydrophobicContact CG-CE1 3.98Å; F157-F177 HydrophobicContact CZ-CE1 4.14Å; F157-F200 HydrophobicContact CB-CE2 4.49Å; F157-F200 AromaticContact CD1-CD2 3.33Å; F157-F200 HydrophobicContact CD1-CD2 3.33Å; F157-F200 AromaticContact CD1-CE2 3.48Å; F157-F200 HydrophobicContact CD1-CE2 3.48Å; F157-F200 VanDerWaalsContact CD1-CE2 3.48Å; F157-F200 AromaticContact CD1-CG 3.91Å; F157-F200 HydrophobicContact CD1-CG 3.91Å; F157-F200 HydrophobicContact CD1-CZ 4.17Å; F157-F200 HydrophobicContact CE1-CB 3.72Å; F157-F200 HydrophobicContact CE1-CD1 4.38Å; F157-F200 AromaticContact CE1-CD2 3.27Å; F157-F200 HydrophobicContact CE1-CD2 3.27Å; F157-F200 AromaticContact CE1-CE2 3.94Å; F157-F200 HydrophobicContact CE1-CE2 3.94Å; F157-F200 AromaticContact CE1-CG 3.52Å; F157-F200 HydrophobicContact CE1-CG 3.52Å; F157-F200 HydrophobicContact CG-CD2 4.31Å; F157-F200 HydrophobicContact CG-CE2 4.2Å; F157-F200 HydrophobicContact CG-CZ 4.48Å; F157-F200 HydrophobicContact CZ-CB 3.97Å; F157-F200 HydrophobicContact CZ-CD2 4.22Å; F157-F200 HydrophobicContact CZ-CG 4.03Å; F157-L207 HydrophobicContact CE1-CD1 3.66Å; F157-L207 HydrophobicContact CZ-CD1 4.28Å; F157-F220 WeakPolarHBondContact O-CB 3.36Å | ||
| 158 | F | 81 | Confident | 88.2 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | trans | -120.7 | 127.4 | -176.1 | -52.5 | -70.1 | 0 | 0 | 0 | 110 | K156 Q160 I161 V165 L184 F185 F220 I225 | K156-F158 PolarHBondContact O-N 3.16Å; F158-Q160 PolarHBondContact O-N 3.16Å; F158-I161 HydrophobicContact CB-CB 4.37Å; F158-I161 HydrophobicContact CB-CD1 4.33Å; F158-I161 HydrophobicContact CB-CG1 4.12Å; F158-I161 HydrophobicContact CD2-CD1 3.86Å; F158-I161 HydrophobicContact CG-CD1 4.39Å; F158-I161 PolarHBondContact O-N 3.32Å; F158-V165 HydrophobicContact CD2-CG2 4.16Å; F158-V165 HydrophobicContact CE2-CG1 4.28Å; F158-V165 HydrophobicContact CE2-CG2 4.49Å; F158-L184 HydrophobicContact CE2-CD1 4.31Å; F158-F185 HydrophobicContact CE1-CE1 4.23Å; F158-F185 HydrophobicContact CE1-CZ 4.39Å; F158-F185 AromaticContact CE2-CE1 3.8Å; F158-F185 HydrophobicContact CE2-CE1 3.8Å; F158-F185 HydrophobicContact CE2-CZ 4.32Å; F158-F185 HydrophobicContact CZ-CD1 4.5Å; F158-F185 AromaticContact CZ-CE1 3.28Å; F158-F185 HydrophobicContact CZ-CE1 3.28Å; F158-F185 AromaticContact CZ-CZ 3.52Å; F158-F185 HydrophobicContact CZ-CZ 3.52Å; F158-F220 AromaticContact CE1-CD1 3.75Å; F158-F220 HydrophobicContact CE1-CD1 3.75Å; F158-F220 HydrophobicContact CE1-CE1 4.43Å; F158-F220 AromaticContact CZ-CD1 3.99Å; F158-F220 HydrophobicContact CZ-CD1 3.99Å; F158-F220 HydrophobicContact CZ-CE1 4.3Å; F158-I225 HydrophobicContact CD1-CD1 3.84Å; F158-I225 HydrophobicContact CE1-CD1 3.49Å; F158-I225 VanDerWaalsContact CE1-CD1 3.49Å | ||
| 159 | E | 73.8 | Confident | 88.2 | Confident | 121 Ų | 121 | 34.6 Ų | 34.6 | 57% | 0.565 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.5 | 174.8 | -65.2 | 179 | 142.7 | 0 | 0 | 112.2 | I161 S222 | E159-I161 VanDerWaalsContact C-N 3.33Å; E159-S222 WeakPolarHBondContact OE2-CB 3.36Å; E159-S222 PolarHBondContact OE2-OG 3.46Å |
| 160 | Q | 75.2 | Confident | 88.1 | Confident | 72 Ų | 72 | 34.3 Ų | 34.3 | 34% | 0.336 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -24 | -178.2 | -53.4 | 89.2 | -11.4 | 0 | 0 | 113 | F158 H227 | F158-Q160 PolarHBondContact O-N 3.16Å; Q160-H227 PolarHBondContact NE2-CE1 3.11Å; Q160-H227 VanDerWaalsContact NE2-CE1 3.34Å |
| 161 | I | 79.9 | Confident | 88.1 | Confident | 38 Ų | 38 | 32.8 Ų | 32.8 | 20% | 0.195 | 16% | 0.164 | C | C | . | . | trans | -96.9 | 116.4 | -179.2 | -57.5 | -176.9 | 0 | 0 | 0 | 107.9 | F158 E159 T163 V165 L184 | F158-I161 HydrophobicContact CB-CB 4.37Å; F158-I161 HydrophobicContact CB-CD1 4.33Å; F158-I161 HydrophobicContact CB-CG1 4.12Å; F158-I161 HydrophobicContact CD2-CD1 3.86Å; F158-I161 HydrophobicContact CG-CD1 4.39Å; F158-I161 PolarHBondContact O-N 3.32Å; E159-I161 VanDerWaalsContact C-N 3.33Å; I161-T163 VanDerWaalsContact C-N 3.31Å; I161-T163 WeakPolarHBondContact CG2-O 3.33Å; I161-T163 WeakPolarHBondContact CG2-OG1 3.47Å; I161-T163 PolarHBondContact O-N 3.47Å; I161-V165 HydrophobicContact CB-CG2 4.49Å; I161-V165 HydrophobicContact CD1-CG2 3.91Å; I161-V165 HydrophobicContact CG2-CG2 4.09Å; I161-L184 HydrophobicContact CD1-CD1 3.91Å | ||
| 162 | Q | 81.6 | Confident | 87.7 | Confident | 136 Ų | 136 | 34.8 Ų | 34.8 | 64% | 0.636 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -71.5 | -28.1 | -176.8 | -67 | -168 | -11.3 | 0 | 0 | 113.1 | M95 K156 | M95-Q162 HydrophobicContact SD-CB 4.23Å; K156-Q162 WeakPolarHBondContact CE-O 3.26Å; K156-Q162 PolarHBondContact NZ-O 3.12Å |
| 163 | T | 87.4 | Confident | 87.2 | Confident | 21 Ų | 21 | 34.6 Ų | 34.6 | 13% | 0.129 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -83.9 | 160 | 175.5 | 60 | 0 | 0 | 0 | 0 | 111.5 | N92 M95 I161 | N92-T163 CarbonylContact O-C 3.6Å; N92-T163 WeakPolarHBondContact O-CA 3.49Å; N92-T163 WeakPolarHBondContact O-CB 3.21Å; M95-T163 HydrophobicContact CG-CG2 3.52Å; I161-T163 VanDerWaalsContact C-N 3.31Å; I161-T163 WeakPolarHBondContact CG2-O 3.33Å; I161-T163 WeakPolarHBondContact CG2-OG1 3.47Å; I161-T163 PolarHBondContact O-N 3.47Å |
| 164 | D | 89.9 | Confident | 86.9 | Confident | 23 Ų | 23 | 33.2 Ų | 33.2 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | trans | -67.4 | 147 | 168.5 | -60.7 | -26.5 | 0 | 0 | 0 | 109.7 | G91 N92 L93 K156 | G91-D164 VanDerWaalsContact CA-OD2 3.28Å; G91-D164 WeakPolarHBondContact CA-OD2 3.02Å; N92-D164 PolarHBondContact N-OD2 3.09Å; N92-D164 PolarHBondContact O-N 3.25Å; L93-D164 HydrophobicContact CD2-CB 4.1Å; L93-D164 WeakPolarHBondContact CD2-O 3.49Å; K156-D164 VanDerWaalsContact CE-OD1 3.31Å; K156-D164 WeakPolarHBondContact CE-OD1 3.43Å; K156-D164 WeakPolarHBondContact CG-OD1 3.19Å | ||
| 165 | V | 92.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.1 | 174.8 | 164.1 | 0 | 0 | 0 | 0 | 108.2 | G155 F157 F158 I161 F177 F178 L184 | G155-V165 PolarHBondContact N-O 3.28Å; G155-V165 PolarHBondContact O-N 3.39Å; F157-V165 HydrophobicContact CD2-CB 3.88Å; F157-V165 HydrophobicContact CD2-CG1 3.99Å; F157-V165 WeakPolarHBondContact CE2-O 3.48Å; F158-V165 HydrophobicContact CD2-CG2 4.16Å; F158-V165 HydrophobicContact CE2-CG1 4.28Å; F158-V165 HydrophobicContact CE2-CG2 4.49Å; I161-V165 HydrophobicContact CB-CG2 4.49Å; I161-V165 HydrophobicContact CD1-CG2 3.91Å; I161-V165 HydrophobicContact CG2-CG2 4.09Å; V165-F177 HydrophobicContact CG1-CB 4.14Å; V165-F177 HydrophobicContact CG1-CD1 4.08Å; V165-F178 WeakPolarHBondContact CG1-O 3.42Å; V165-L184 HydrophobicContact CG1-CD1 3.86Å; V165-L184 HydrophobicContact CG2-CD1 3.88Å |
| 166 | I | 94.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.1 | -179.8 | -42.3 | -171.4 | 0 | 0 | 0 | 108.9 | L93 I111 V113 L143 L152 L154 V168 F177 F178 | L93-I166 HydrophobicContact CD1-CD1 4.03Å; L93-I166 HydrophobicContact CD1-CG1 4.46Å; L93-I166 HydrophobicContact CD2-CD1 4.09Å; L93-I166 HydrophobicContact CD2-CG1 3.69Å; I111-I166 HydrophobicContact CD1-CG2 4.11Å; I111-I166 HydrophobicContact CG2-CD1 4.02Å; V113-I166 HydrophobicContact CG2-CD1 3.98Å; L143-I166 HydrophobicContact CD1-CD1 4.34Å; L152-I166 HydrophobicContact CD1-CG2 3.46Å; L152-I166 VanDerWaalsContact CD1-CG2 3.46Å; L152-I166 HydrophobicContact CD2-CG2 4.25Å; L152-I166 HydrophobicContact CG-CG2 3.66Å; L154-I166 HydrophobicContact CD2-CB 3.84Å; L154-I166 HydrophobicContact CD2-CD1 4.3Å; L154-I166 HydrophobicContact CD2-CG1 3.53Å; L154-I166 HydrophobicContact CD2-CG2 3.83Å; I166-V168 HydrophobicContact CG2-CG2 4.14Å; I166-F177 CarbonylContact O-C 3.52Å; I166-F177 WeakPolarHBondContact O-CA 3.36Å; I166-F178 HydrophobicContact CB-CB 4.25Å; I166-F178 PolarHBondContact N-O 3.2Å; I166-F178 PolarHBondContact O-N 3.39Å |
| 167 | C | 93.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.2 | 168.8 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | L152 L153 F157 Y176 F177 | L152-C167 CarbonylContact C-O 3.54Å; L152-C167 WeakPolarHBondContact CA-O 3.25Å; L153-C167 HydrophobicContact CB-CB 4.42Å; L153-C167 PolarHBondContact N-O 3.32Å; L153-C167 PolarHBondContact O-N 3.47Å; F157-C167 HydrophobicContact CE1-CB 4.42Å; F157-C167 HydrophobicContact CE2-CB 3.83Å; F157-C167 HydrophobicContact CZ-CB 3.56Å; C167-Y176 CarbonylContact C-O 3.58Å; C167-Y176 WeakPolarHBondContact CA-O 3.35Å; C167-F177 HydrophobicContact CB-CD1 4.09Å; C167-F177 HydrophobicContact CB-CE1 3.89Å; C167-F177 HydrophobicContact CB-CZ 4.44Å |
| 168 | V | 94.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122 | 173.7 | 177.7 | 0 | 0 | 0 | 0 | 109 | L106 I111 V145 T151 L152 I166 L175 Y176 F178 | L106-V168 HydrophobicContact CD1-CG1 4.01Å; L106-V168 HydrophobicContact CD1-CG2 4.07Å; I111-V168 HydrophobicContact CD1-CG2 3.5Å; I111-V168 HydrophobicContact CG1-CG2 4.07Å; V145-V168 HydrophobicContact CG1-CG1 4.34Å; T151-V168 WeakPolarHBondContact O-CA 3.27Å; L152-V168 HydrophobicContact CD1-CG2 4.33Å; I166-V168 HydrophobicContact CG2-CG2 4.14Å; V168-L175 CarbonylContact O-C 3.59Å; V168-L175 WeakPolarHBondContact O-CA 3.21Å; V168-Y176 PolarHBondContact N-O 2.85Å; V168-Y176 PolarHBondContact O-N 2.89Å; V168-F178 HydrophobicContact CB-CE2 4.31Å; V168-F178 HydrophobicContact CG2-CD2 4.3Å; V168-F178 HydrophobicContact CG2-CE2 4.21Å |
| 169 | Q | 92.8 | Very high | 88 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 128.2 | 168.6 | -174.6 | -177.4 | 25.4 | 0 | 0 | 108.7 | Y150 T151 S174 L175 P195 G196 | Y150-Q169 WeakPolarHBondContact CA-O 3.5Å; Y150-Q169 WeakPolarHBondContact CB-O 3.22Å; Y150-Q169 PolarHBondContact N-O 3.18Å; T151-Q169 HydrophobicContact CG2-CB 3.94Å; T151-Q169 PolarHBondContact N-O 2.89Å; T151-Q169 PolarHBondContact O-N 3.39Å; Q169-S174 CarbonylContact C-O 3.55Å; Q169-S174 WeakPolarHBondContact CA-O 3.28Å; Q169-L175 HydrophobicContact CB-CD2 3.78Å; Q169-L175 HydrophobicContact CG-CD2 3.86Å; Q169-P195 HydrophobicContact CG-CB 4.27Å; Q169-G196 PolarHBondContact NE2-O 3.37Å; Q169-G196 PolarHBondContact OE1-O 2.71Å; Q169-G196 VanDerWaalsContact OE1-O 3.05Å |
| 170 | T | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 166 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | V145 K147 D148 D172 A173 S174 Y176 | V145-T170 HydrophobicContact CG1-CG2 4.17Å; K147-T170 HydrophobicContact CB-CG2 3.89Å; D148-T170 CarbonylContact O-C 3.59Å; D148-T170 VanDerWaalsContact O-CA 3.28Å; D148-T170 WeakPolarHBondContact O-CA 3.32Å; D148-T170 VanDerWaalsContact O-CB 3.26Å; D148-T170 WeakPolarHBondContact O-CB 3.4Å; T170-D172 VanDerWaalsContact CB-OD1 3.3Å; T170-D172 WeakPolarHBondContact CB-OD1 3.36Å; T170-D172 PolarHBondContact O-N 3.15Å; T170-D172 PolarHBondContact OG1-OD1 2.88Å; T170-A173 WeakPolarHBondContact O-CA 3.29Å; T170-A173 PolarHBondContact O-N 2.92Å; T170-S174 PolarHBondContact N-O 2.93Å; T170-S174 VanDerWaalsContact OG1-CB 3.31Å; T170-S174 WeakPolarHBondContact OG1-CB 3.43Å; T170-S174 PolarHBondContact OG1-N 3.02Å; T170-S174 PolarHBondContact OG1-O 3.45Å; T170-Y176 HydrophobicContact CG2-CD2 3.64Å; T170-Y176 HydrophobicContact CG2-CE2 3.58Å |
| 171 | V | 89.6 | Confident | 89.1 | Confident | 78 Ų | 78 | 28.9 Ų | 28.9 | 47% | 0.473 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.3 | -178.1 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | D148 A173 P195 | D148-V171 HydrophobicContact CB-CG2 4.17Å; D148-V171 PolarHBondContact O-N 3Å; V171-A173 PolarHBondContact O-N 3.05Å; V171-P195 WeakPolarHBondContact O-CD 3.36Å |
| 172 | D | 85.3 | Confident | 89.5 | Confident | 76 Ų | 76 | 27.9 Ų | 27.9 | 41% | 0.406 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 14.7 | 172.6 | 70.3 | -18.7 | 0 | 0 | 0 | 113.3 | K147 T170 S174 | K147-D172 VanDerWaalsContact CD-OD2 3.27Å; K147-D172 WeakPolarHBondContact CD-OD2 3.36Å; K147-D172 WeakPolarHBondContact CE-OD2 3.33Å; K147-D172 IonicContact NZ-OD2 2.67Å; K147-D172 PolarHBondContact NZ-OD2 3.21Å; T170-D172 VanDerWaalsContact CB-OD1 3.3Å; T170-D172 WeakPolarHBondContact CB-OD1 3.36Å; T170-D172 PolarHBondContact O-N 3.15Å; T170-D172 PolarHBondContact OG1-OD1 2.88Å; D172-S174 PolarHBondContact O-N 3.48Å; D172-S174 PolarHBondContact OD1-N 3.3Å; D172-S174 PolarHBondContact OD1-OG 2.85Å; D172-S174 PolarHBondContact OD2-OG 3.33Å |
| 173 | A | 83.9 | Confident | 89.8 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 57.5 | 26.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | T170 V171 L189 I192 P195 | T170-A173 WeakPolarHBondContact O-CA 3.29Å; T170-A173 PolarHBondContact O-N 2.92Å; V171-A173 PolarHBondContact O-N 3.05Å; A173-L189 VanDerWaalsContact O-CD1 3.32Å; A173-L189 WeakPolarHBondContact O-CD1 3.32Å; A173-L189 WeakPolarHBondContact O-CG 3.4Å; A173-I192 HydrophobicContact CB-CB 3.78Å; A173-I192 HydrophobicContact CB-CD1 3.82Å; A173-I192 HydrophobicContact CB-CG1 4.45Å; A173-I192 HydrophobicContact CB-CG2 3.46Å; A173-I192 VanDerWaalsContact CB-CG2 3.46Å; A173-P195 HydrophobicContact CB-CB 4.45Å |
| 174 | S | 87.3 | Confident | 89.8 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 149.3 | 162.2 | -50.2 | 0 | 0 | 0 | 0 | 109.7 | K147 Q169 T170 D172 I187 | K147-S174 PolarHBondContact NZ-OG 2.87Å; Q169-S174 CarbonylContact C-O 3.55Å; Q169-S174 WeakPolarHBondContact CA-O 3.28Å; T170-S174 PolarHBondContact N-O 2.93Å; T170-S174 VanDerWaalsContact OG1-CB 3.31Å; T170-S174 WeakPolarHBondContact OG1-CB 3.43Å; T170-S174 PolarHBondContact OG1-N 3.02Å; T170-S174 PolarHBondContact OG1-O 3.45Å; D172-S174 PolarHBondContact O-N 3.48Å; D172-S174 PolarHBondContact OD1-N 3.3Å; D172-S174 PolarHBondContact OD1-OG 2.85Å; D172-S174 PolarHBondContact OD2-OG 3.33Å; S174-I187 CarbonylContact C-O 3.58Å; S174-I187 WeakPolarHBondContact CA-O 3.25Å |
| 175 | L | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.9 | 175 | -55.3 | 173.2 | 0 | 0 | 0 | 109.5 | V168 Q169 F177 Q186 I187 L189 I198 L207 I209 | V168-L175 CarbonylContact O-C 3.59Å; V168-L175 WeakPolarHBondContact O-CA 3.21Å; Q169-L175 HydrophobicContact CB-CD2 3.78Å; Q169-L175 HydrophobicContact CG-CD2 3.86Å; L175-F177 HydrophobicContact CB-CE2 3.89Å; L175-F177 HydrophobicContact CD1-CE2 4.47Å; L175-Q186 CarbonylContact O-C 3.58Å; L175-Q186 WeakPolarHBondContact O-CA 3.41Å; L175-I187 HydrophobicContact CB-CB 4.24Å; L175-I187 HydrophobicContact CD1-CB 4.4Å; L175-I187 HydrophobicContact CD1-CD1 4.24Å; L175-I187 PolarHBondContact N-O 3.27Å; L175-I187 PolarHBondContact O-N 3.03Å; L175-L189 HydrophobicContact CD1-CD1 4.47Å; L175-L189 HydrophobicContact CG-CD1 4.39Å; L175-I198 HydrophobicContact CD1-CD1 4.43Å; L175-I198 HydrophobicContact CD2-CD1 3.5Å; L175-I198 VanDerWaalsContact CD2-CD1 3.5Å; L175-L207 HydrophobicContact CD1-CD2 3.35Å; L175-I209 HydrophobicContact CD1-CD1 3.62Å; L175-I209 HydrophobicContact CD2-CD1 4.41Å; L175-I209 HydrophobicContact CG-CD1 4.43Å |
| 176 | Y | 91.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.5 | 174.2 | -68.8 | -95.2 | 0 | 0 | 0 | 109.1 | K147 C167 V168 T170 F178 Q186 | K147-Y176 HydrophobicContact CD-CE2 4.39Å; K147-Y176 WeakPolarHBondContact CE-OH 3.27Å; C167-Y176 CarbonylContact C-O 3.58Å; C167-Y176 WeakPolarHBondContact CA-O 3.35Å; V168-Y176 PolarHBondContact N-O 2.85Å; V168-Y176 PolarHBondContact O-N 2.89Å; T170-Y176 HydrophobicContact CG2-CD2 3.64Å; T170-Y176 HydrophobicContact CG2-CE2 3.58Å; Y176-F178 HydrophobicContact CD1-CZ 4.47Å; Y176-F178 HydrophobicContact CG-CE2 4.36Å; Y176-F178 HydrophobicContact CG-CZ 4.42Å; Y176-Q186 HydrophobicContact CD1-CB 3.96Å; Y176-Q186 HydrophobicContact CE1-CB 3.95Å; Y176-Q186 PolarHBondContact OH-OE1 2.92Å |
| 177 | F | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.7 | 177.2 | -67.9 | -99 | 0 | 0 | 0 | 109.1 | F157 V165 I166 C167 L175 L184 F185 I187 F220 | F157-F177 AromaticContact CD1-CE1 3.77Å; F157-F177 HydrophobicContact CD1-CE1 3.77Å; F157-F177 HydrophobicContact CD2-CD1 4.3Å; F157-F177 HydrophobicContact CD2-CE1 4.26Å; F157-F177 AromaticContact CE1-CE1 3.87Å; F157-F177 HydrophobicContact CE1-CE1 3.87Å; F157-F177 HydrophobicContact CE2-CE1 4.33Å; F157-F177 HydrophobicContact CG-CD1 4.3Å; F157-F177 AromaticContact CG-CE1 3.98Å; F157-F177 HydrophobicContact CG-CE1 3.98Å; F157-F177 HydrophobicContact CZ-CE1 4.14Å; V165-F177 HydrophobicContact CG1-CB 4.14Å; V165-F177 HydrophobicContact CG1-CD1 4.08Å; I166-F177 CarbonylContact O-C 3.52Å; I166-F177 WeakPolarHBondContact O-CA 3.36Å; C167-F177 HydrophobicContact CB-CD1 4.09Å; C167-F177 HydrophobicContact CB-CE1 3.89Å; C167-F177 HydrophobicContact CB-CZ 4.44Å; L175-F177 HydrophobicContact CB-CE2 3.89Å; L175-F177 HydrophobicContact CD1-CE2 4.47Å; F177-L184 HydrophobicContact CB-CB 4.34Å; F177-L184 PolarHBondContact O-N 3.44Å; F177-F185 HydrophobicContact CB-CD1 4.08Å; F177-F185 HydrophobicContact CB-CE1 3.6Å; F177-F185 HydrophobicContact CB-CE2 4.48Å; F177-F185 HydrophobicContact CB-CZ 3.82Å; F177-F185 HydrophobicContact CD1-CE1 4.28Å; F177-F185 AromaticContact CD1-CZ 3.86Å; F177-F185 HydrophobicContact CD1-CZ 3.86Å; F177-F185 HydrophobicContact CD2-CD2 4.01Å; F177-F185 AromaticContact CD2-CE1 3.94Å; F177-F185 HydrophobicContact CD2-CE1 3.94Å; F177-F185 AromaticContact CD2-CE2 3.32Å; F177-F185 HydrophobicContact CD2-CE2 3.32Å; F177-F185 AromaticContact CD2-CZ 3.23Å; F177-F185 HydrophobicContact CD2-CZ 3.23Å; F177-F185 HydrophobicContact CE1-CZ 4.22Å; F177-F185 AromaticContact CE2-CE2 3.61Å; F177-F185 HydrophobicContact CE2-CE2 3.61Å; F177-F185 AromaticContact CE2-CZ 3.68Å; F177-F185 HydrophobicContact CE2-CZ 3.68Å; F177-F185 HydrophobicContact CG-CD1 4.48Å; F177-F185 AromaticContact CG-CE1 3.68Å; F177-F185 HydrophobicContact CG-CE1 3.68Å; F177-F185 AromaticContact CG-CE2 3.94Å; F177-F185 HydrophobicContact CG-CE2 3.94Å; F177-F185 AromaticContact CG-CZ 3.34Å; F177-F185 HydrophobicContact CG-CZ 3.34Å; F177-F185 HydrophobicContact CZ-CE2 4.4Å; F177-F185 HydrophobicContact CZ-CZ 4.14Å; F177-F185 PolarHBondContact N-O 3.18Å; F177-I187 HydrophobicContact CE2-CD1 3.58Å; F177-I187 HydrophobicContact CE2-CG1 3.98Å; F177-I187 HydrophobicContact CZ-CD1 4.08Å; F177-F220 HydrophobicContact CE1-CE1 4.36Å; F177-F220 HydrophobicContact CE1-CZ 4.16Å; F177-F220 HydrophobicContact CE2-CZ 4.34Å; F177-F220 HydrophobicContact CZ-CE1 4.08Å; F177-F220 HydrophobicContact CZ-CE2 4.48Å; F177-F220 AromaticContact CZ-CZ 3.62Å; F177-F220 HydrophobicContact CZ-CZ 3.62Å |
| 178 | F | 92.1 | Very high | 87.8 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.4 | -178.2 | -59.6 | -93.7 | 0 | 0 | 0 | 111.9 | I111 L143 V145 V165 I166 V168 Y176 G182 E183 | I111-F178 HydrophobicContact CD1-CD2 3.69Å; I111-F178 HydrophobicContact CD1-CE2 3.92Å; I111-F178 HydrophobicContact CD1-CG 4.16Å; L143-F178 HydrophobicContact CB-CD1 4.44Å; L143-F178 HydrophobicContact CD1-CB 3.63Å; L143-F178 HydrophobicContact CD1-CD1 4.07Å; L143-F178 HydrophobicContact CD1-CG 4.03Å; V145-F178 HydrophobicContact CG2-CE2 4.25Å; V145-F178 HydrophobicContact CG2-CZ 4.15Å; V165-F178 WeakPolarHBondContact CG1-O 3.42Å; I166-F178 HydrophobicContact CB-CB 4.25Å; I166-F178 PolarHBondContact N-O 3.2Å; I166-F178 PolarHBondContact O-N 3.39Å; V168-F178 HydrophobicContact CB-CE2 4.31Å; V168-F178 HydrophobicContact CG2-CD2 4.3Å; V168-F178 HydrophobicContact CG2-CE2 4.21Å; Y176-F178 HydrophobicContact CD1-CZ 4.47Å; Y176-F178 HydrophobicContact CG-CE2 4.36Å; Y176-F178 HydrophobicContact CG-CZ 4.42Å; F178-G182 CarbonylContact C-O 3.47Å; F178-G182 VanDerWaalsContact CA-O 3.25Å; F178-G182 WeakPolarHBondContact CA-O 3.49Å; F178-E183 VanDerWaalsContact CD1-CA 3.5Å; F178-E183 HydrophobicContact CD1-CB 3.87Å; F178-E183 HydrophobicContact CD1-CG 4.45Å; F178-E183 HydrophobicContact CE1-CB 3.71Å; F178-E183 HydrophobicContact CE1-CG 4.13Å |
| 179 | N | 89.5 | Confident | 86.9 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -176 | 162.1 | 67 | 4 | 0 | 0 | 0 | 109.7 | N181 G182 L184 | N179-N181 PolarHBondContact O-N 2.84Å; N179-N181 VanDerWaalsContact O-N 3.1Å; N179-N181 WeakPolarHBondContact OD1-CA 3.48Å; N179-N181 WeakPolarHBondContact OD1-CB 3.46Å; N179-N181 PolarHBondContact OD1-N 2.93Å; N179-G182 PolarHBondContact N-O 3.49Å; N179-G182 PolarHBondContact O-N 2.8Å; N179-G182 PolarHBondContact OD1-N 2.72Å; N179-G182 PolarHBondContact OD1-O 3.23Å; N179-G182 VanDerWaalsContact OD1-O 3.07Å; N179-L184 HydrophobicContact CB-CD1 4.21Å; N179-L184 HydrophobicContact CB-CD2 4.31Å; N179-L184 HydrophobicContact CB-CG 4.26Å; N179-L184 WeakPolarHBondContact ND2-CD2 3.43Å |
| 180 | A | 87.5 | Confident | 85.8 | Confident | 41 Ų | 41 | 38 Ų | 38 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | F141 | F141-A180 HydrophobicContact CD1-CB 4.44Å; F141-A180 HydrophobicContact CE1-CB 3.87Å; F141-A180 HydrophobicContact CE2-CB 4.47Å; F141-A180 HydrophobicContact CZ-CB 3.88Å |
| 181 | N | 85.7 | Confident | 84.7 | Confident | 153 Ų | 153 | 45.9 Ų | 45.9 | 82% | 0.818 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -13.6 | -177.8 | -59.9 | -18.8 | 0 | 0 | 0 | 113.4 | N179 | N179-N181 PolarHBondContact O-N 2.84Å; N179-N181 VanDerWaalsContact O-N 3.1Å; N179-N181 WeakPolarHBondContact OD1-CA 3.48Å; N179-N181 WeakPolarHBondContact OD1-CB 3.46Å; N179-N181 PolarHBondContact OD1-N 2.93Å |
| 182 | G | 87.4 | Confident | 83.7 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.5 | -162.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F178 N179 | F178-G182 CarbonylContact C-O 3.47Å; F178-G182 VanDerWaalsContact CA-O 3.25Å; F178-G182 WeakPolarHBondContact CA-O 3.49Å; N179-G182 PolarHBondContact N-O 3.49Å; N179-G182 PolarHBondContact O-N 2.8Å; N179-G182 PolarHBondContact OD1-N 2.72Å; N179-G182 PolarHBondContact OD1-O 3.23Å; N179-G182 VanDerWaalsContact OD1-O 3.07Å |
| 183 | E | 88.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 47.4 Ų | 47.4 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 128.7 | 175.5 | -171.4 | -176.4 | 152.2 | 0 | 0 | 110.3 | F178 | F178-E183 VanDerWaalsContact CD1-CA 3.5Å; F178-E183 HydrophobicContact CD1-CB 3.87Å; F178-E183 HydrophobicContact CD1-CG 4.45Å; F178-E183 HydrophobicContact CE1-CB 3.71Å; F178-E183 HydrophobicContact CE1-CG 4.13Å |
| 184 | L | 86 | Confident | 83 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -54.2 | 173.2 | -67.8 | 175.1 | 0 | 0 | 0 | 110.7 | F158 I161 V165 F177 N179 | F158-L184 HydrophobicContact CE2-CD1 4.31Å; I161-L184 HydrophobicContact CD1-CD1 3.91Å; V165-L184 HydrophobicContact CG1-CD1 3.86Å; V165-L184 HydrophobicContact CG2-CD1 3.88Å; F177-L184 HydrophobicContact CB-CB 4.34Å; F177-L184 PolarHBondContact O-N 3.44Å; N179-L184 HydrophobicContact CB-CD1 4.21Å; N179-L184 HydrophobicContact CB-CD2 4.31Å; N179-L184 HydrophobicContact CB-CG 4.26Å; N179-L184 WeakPolarHBondContact ND2-CD2 3.43Å |
| 185 | F | 82.9 | Confident | 83 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 20% | 0.197 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 171.1 | 178 | 65 | -78.7 | 0 | 0 | 0 | 110.7 | F158 F177 I187 F220 V238 | F158-F185 HydrophobicContact CE1-CE1 4.23Å; F158-F185 HydrophobicContact CE1-CZ 4.39Å; F158-F185 AromaticContact CE2-CE1 3.8Å; F158-F185 HydrophobicContact CE2-CE1 3.8Å; F158-F185 HydrophobicContact CE2-CZ 4.32Å; F158-F185 HydrophobicContact CZ-CD1 4.5Å; F158-F185 AromaticContact CZ-CE1 3.28Å; F158-F185 HydrophobicContact CZ-CE1 3.28Å; F158-F185 AromaticContact CZ-CZ 3.52Å; F158-F185 HydrophobicContact CZ-CZ 3.52Å; F177-F185 HydrophobicContact CB-CD1 4.08Å; F177-F185 HydrophobicContact CB-CE1 3.6Å; F177-F185 HydrophobicContact CB-CE2 4.48Å; F177-F185 HydrophobicContact CB-CZ 3.82Å; F177-F185 HydrophobicContact CD1-CE1 4.28Å; F177-F185 AromaticContact CD1-CZ 3.86Å; F177-F185 HydrophobicContact CD1-CZ 3.86Å; F177-F185 HydrophobicContact CD2-CD2 4.01Å; F177-F185 AromaticContact CD2-CE1 3.94Å; F177-F185 HydrophobicContact CD2-CE1 3.94Å; F177-F185 AromaticContact CD2-CE2 3.32Å; F177-F185 HydrophobicContact CD2-CE2 3.32Å; F177-F185 AromaticContact CD2-CZ 3.23Å; F177-F185 HydrophobicContact CD2-CZ 3.23Å; F177-F185 HydrophobicContact CE1-CZ 4.22Å; F177-F185 AromaticContact CE2-CE2 3.61Å; F177-F185 HydrophobicContact CE2-CE2 3.61Å; F177-F185 AromaticContact CE2-CZ 3.68Å; F177-F185 HydrophobicContact CE2-CZ 3.68Å; F177-F185 HydrophobicContact CG-CD1 4.48Å; F177-F185 AromaticContact CG-CE1 3.68Å; F177-F185 HydrophobicContact CG-CE1 3.68Å; F177-F185 AromaticContact CG-CE2 3.94Å; F177-F185 HydrophobicContact CG-CE2 3.94Å; F177-F185 AromaticContact CG-CZ 3.34Å; F177-F185 HydrophobicContact CG-CZ 3.34Å; F177-F185 HydrophobicContact CZ-CE2 4.4Å; F177-F185 HydrophobicContact CZ-CZ 4.14Å; F177-F185 PolarHBondContact N-O 3.18Å; F185-I187 HydrophobicContact CD2-CG1 4.12Å; F185-I187 HydrophobicContact CE2-CD1 3.94Å; F185-I187 HydrophobicContact CE2-CG1 3.74Å; F185-F220 HydrophobicContact CE2-CE1 4.23Å; F185-F220 AromaticContact CZ-CE1 3.88Å; F185-F220 HydrophobicContact CZ-CE1 3.88Å; F185-V238 HydrophobicContact CE2-CG2 4.43Å |
| 186 | Q | 84.7 | Confident | 82.9 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.7 | 175.1 | 70.1 | 178 | -15.2 | 0 | 0 | 112.4 | L175 Y176 | L175-Q186 CarbonylContact O-C 3.58Å; L175-Q186 WeakPolarHBondContact O-CA 3.41Å; Y176-Q186 HydrophobicContact CD1-CB 3.96Å; Y176-Q186 HydrophobicContact CE1-CB 3.95Å; Y176-Q186 PolarHBondContact OH-OE1 2.92Å |
| 187 | I | 83.3 | Confident | 82.9 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.7 | 170.6 | -51.2 | 173.7 | 0 | 0 | 0 | 108.2 | S174 L175 F177 F185 L189 F220 V238 | S174-I187 CarbonylContact C-O 3.58Å; S174-I187 WeakPolarHBondContact CA-O 3.25Å; L175-I187 HydrophobicContact CB-CB 4.24Å; L175-I187 HydrophobicContact CD1-CB 4.4Å; L175-I187 HydrophobicContact CD1-CD1 4.24Å; L175-I187 PolarHBondContact N-O 3.27Å; L175-I187 PolarHBondContact O-N 3.03Å; F177-I187 HydrophobicContact CE2-CD1 3.58Å; F177-I187 HydrophobicContact CE2-CG1 3.98Å; F177-I187 HydrophobicContact CZ-CD1 4.08Å; F185-I187 HydrophobicContact CD2-CG1 4.12Å; F185-I187 HydrophobicContact CE2-CD1 3.94Å; F185-I187 HydrophobicContact CE2-CG1 3.74Å; I187-L189 HydrophobicContact CG2-CD2 4.33Å; I187-F220 HydrophobicContact CD1-CE1 4.24Å; I187-F220 HydrophobicContact CD1-CZ 3.77Å; I187-V238 HydrophobicContact CD1-CB 3.96Å; I187-V238 HydrophobicContact CD1-CG2 3.36Å; I187-V238 HydrophobicContact CG1-CG2 3.83Å |
| 188 | T | 78.7 | Confident | 82.9 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 55% | 0.546 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.1 | 169.1 | -52.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 189 | L | 76.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 132.7 | 179.3 | -62.5 | 171.8 | 0 | 0 | 0 | 110.3 | A173 L175 I187 I192 I209 F218 | A173-L189 VanDerWaalsContact O-CD1 3.32Å; A173-L189 WeakPolarHBondContact O-CD1 3.32Å; A173-L189 WeakPolarHBondContact O-CG 3.4Å; L175-L189 HydrophobicContact CD1-CD1 4.47Å; L175-L189 HydrophobicContact CG-CD1 4.39Å; I187-L189 HydrophobicContact CG2-CD2 4.33Å; L189-I192 HydrophobicContact CB-CD1 3.22Å; L189-I192 HydrophobicContact CB-CG1 4.07Å; L189-I192 HydrophobicContact CD1-CD1 3.33Å; L189-I192 HydrophobicContact CG-CD1 3.88Å; L189-I209 HydrophobicContact CD1-CD1 3.5Å; L189-I209 VanDerWaalsContact CD1-CD1 3.5Å; L189-I209 HydrophobicContact CD1-CG2 4.22Å; L189-I209 HydrophobicContact CD2-CD1 3.97Å; L189-I209 HydrophobicContact CG-CD1 4.36Å; L189-F218 HydrophobicContact CD2-CD2 4.35Å; L189-F218 HydrophobicContact CD2-CE1 4.21Å; L189-F218 HydrophobicContact CD2-CE2 3.39Å; L189-F218 HydrophobicContact CD2-CZ 3.31Å |
| 190 | P | 68.8 | Low | 83 | Confident | 88 Ų | 88 | 55.1 Ų | 55.1 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 140.6 | -178 | 28.9 | -33.4 | 0 | 0 | 0 | 112.2 | I192 | P190-I192 PolarHBondContact O-N 3.37Š|
| 191 | N | 67.8 | Low | 82.9 | Confident | 167 Ų | 167 | 53.2 Ų | 53.2 | 89% | 0.893 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 33.7 | 169.4 | -62.5 | -14.2 | 0 | 0 | 0 | 116.5 | ||
| 192 | I | 69.7 | Low | 82.7 | Confident | 25 Ų | 25 | 52 Ų | 52 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | trans | -101.3 | 128 | 172.8 | -54.1 | 177.9 | 0 | 0 | 0 | 110 | A173 L189 P190 I194 T211 | A173-I192 HydrophobicContact CB-CB 3.78Å; A173-I192 HydrophobicContact CB-CD1 3.82Å; A173-I192 HydrophobicContact CB-CG1 4.45Å; A173-I192 HydrophobicContact CB-CG2 3.46Å; A173-I192 VanDerWaalsContact CB-CG2 3.46Å; L189-I192 HydrophobicContact CB-CD1 3.22Å; L189-I192 HydrophobicContact CB-CG1 4.07Å; L189-I192 HydrophobicContact CD1-CD1 3.33Å; L189-I192 HydrophobicContact CG-CD1 3.88Å; P190-I192 PolarHBondContact O-N 3.37Å; I192-I194 WeakPolarHBondContact CG2-O 3.25Å; I192-T211 HydrophobicContact CD1-CG2 3.19Å; I192-T211 HydrophobicContact CG1-CG2 3.69Å; I192-T211 HydrophobicContact CG2-CG2 4.42Å | ||
| 193 | L | 71.8 | Confident | 82.2 | Confident | 161 Ų | 161 | 53.3 Ų | 53.3 | 84% | 0.843 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -94.2 | -30.3 | 174.8 | -70.4 | 165.8 | 0 | 0 | 0 | 112.9 | ||
| 194 | I | 81.9 | Confident | 81.7 | Confident | 113 Ų | 113 | 51.1 Ų | 51.1 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -138.3 | 129.6 | -172.4 | -56 | 175.6 | 0 | 0 | 0 | 108 | I192 G196 | I192-I194 WeakPolarHBondContact CG2-O 3.25Å; I194-G196 PolarHBondContact O-N 2.79Å |
| 195 | P | 87 | Confident | 81.6 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 8% | 0.078 | 28% | 0.277 | C | S | . | . | trans | -67.6 | 133.8 | 176.7 | 31.2 | -35.1 | 0 | 0 | 0 | 109.2 | Y150 Q169 V171 A173 | Y150-P195 HydrophobicContact CD1-CB 3.65Å; Y150-P195 HydrophobicContact CD1-CG 3.85Å; Y150-P195 HydrophobicContact CD2-CB 4.41Å; Y150-P195 HydrophobicContact CD2-CG 3.69Å; Y150-P195 HydrophobicContact CE1-CB 4.02Å; Y150-P195 HydrophobicContact CE1-CG 4.16Å; Y150-P195 HydrophobicContact CE2-CG 4.01Å; Y150-P195 HydrophobicContact CG-CB 3.86Å; Y150-P195 HydrophobicContact CG-CG 3.6Å; Q169-P195 HydrophobicContact CG-CB 4.27Å; V171-P195 WeakPolarHBondContact O-CD 3.36Å; A173-P195 HydrophobicContact CB-CB 4.45Å | ||
| 196 | G | 88.1 | Confident | 81.8 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | trans | -113 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q169 I194 A210 | Q169-G196 PolarHBondContact NE2-O 3.37Å; Q169-G196 PolarHBondContact OE1-O 2.71Å; Q169-G196 VanDerWaalsContact OE1-O 3.05Å; I194-G196 PolarHBondContact O-N 2.79Å; G196-A210 CarbonylContact C-O 3.56Å; G196-A210 WeakPolarHBondContact CA-O 3.35Å; G196-A210 PolarHBondContact N-O 3.16Å | ||
| 197 | P | 91 | Very high | 82 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | trans | -58.4 | 146.7 | -179.6 | 23.3 | -33.1 | 0 | 0 | 0 | 112 | A210 I250 I253 | P197-A210 HydrophobicContact CG-CB 3.85Å; P197-A210 PolarHBondContact O-N 2.89Å; P197-I250 WeakPolarHBondContact CD-O 3.22Å; P197-I250 HydrophobicContact CG-CG2 4.08Å; P197-I253 HydrophobicContact CB-CB 4.49Å; P197-I253 HydrophobicContact CB-CD1 4.19Å; P197-I253 HydrophobicContact CB-CG1 4.16Å; P197-I253 HydrophobicContact CG-CD1 3.91Å; P197-I253 HydrophobicContact CG-CG1 3.84Å; P197-I253 WeakPolarHBondContact O-CD1 3.49Å | ||
| 198 | I | 92.4 | Very high | 82.4 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137.2 | -175.7 | -176.9 | 163.3 | 0 | 0 | 0 | 108.9 | T151 L153 L175 L207 I208 I209 | T151-I198 HydrophobicContact CG2-CG2 3.45Å; T151-I198 VanDerWaalsContact CG2-CG2 3.45Å; L153-I198 HydrophobicContact CD2-CG1 4.17Å; L175-I198 HydrophobicContact CD1-CD1 4.43Å; L175-I198 HydrophobicContact CD2-CD1 3.5Å; L175-I198 VanDerWaalsContact CD2-CD1 3.5Å; I198-L207 HydrophobicContact CD1-CD1 3.77Å; I198-L207 HydrophobicContact CD1-CD2 3.82Å; I198-L207 HydrophobicContact CD1-CG 4Å; I198-L207 HydrophobicContact CG1-CD1 3.74Å; I198-L207 HydrophobicContact CG1-CD2 4.4Å; I198-L207 HydrophobicContact CG1-CG 4.04Å; I198-I208 WeakPolarHBondContact CA-O 3.02Å; I198-I209 HydrophobicContact CD1-CD1 4.16Å; I198-I209 HydrophobicContact CD1-CG1 3.99Å; I198-I209 HydrophobicContact CG1-CG1 4.02Å |
| 199 | I | 92.3 | Very high | 83 | Confident | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 155.5 | 174.3 | 57.6 | 157.1 | 0 | 0 | 0 | 109.6 | I208 I253 E255 V271 | I199-I208 HydrophobicContact CD1-CB 4.29Å; I199-I208 HydrophobicContact CD1-CD1 4.43Å; I199-I208 HydrophobicContact CG1-CB 3.91Å; I199-I208 PolarHBondContact N-O 3.1Å; I199-I208 PolarHBondContact O-N 2.8Å; I199-I253 HydrophobicContact CD1-CG2 3.57Å; I199-I253 HydrophobicContact CG1-CG2 3.88Å; I199-I253 HydrophobicContact CG2-CB 4.23Å; I199-I253 HydrophobicContact CG2-CG2 4.3Å; I199-I253 WeakPolarHBondContact CG2-O 3.45Å; I199-E255 HydrophobicContact CD1-CB 3.91Å; I199-V271 HydrophobicContact CD1-CG1 3.99Å; I199-V271 HydrophobicContact CD1-CG2 4.29Å |
| 200 | F | 90.6 | Very high | 83.7 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 114.6 | 173.2 | 173 | -112.1 | 0 | 0 | 0 | 108.3 | L153 K156 F157 K202 S206 L207 | L153-F200 HydrophobicContact CD2-CB 3.67Å; L153-F200 HydrophobicContact CG-CB 4.29Å; K156-F200 WeakPolarHBondContact O-CZ 3.45Å; F157-F200 HydrophobicContact CB-CE2 4.49Å; F157-F200 AromaticContact CD1-CD2 3.33Å; F157-F200 HydrophobicContact CD1-CD2 3.33Å; F157-F200 AromaticContact CD1-CE2 3.48Å; F157-F200 HydrophobicContact CD1-CE2 3.48Å; F157-F200 VanDerWaalsContact CD1-CE2 3.48Å; F157-F200 AromaticContact CD1-CG 3.91Å; F157-F200 HydrophobicContact CD1-CG 3.91Å; F157-F200 HydrophobicContact CD1-CZ 4.17Å; F157-F200 HydrophobicContact CE1-CB 3.72Å; F157-F200 HydrophobicContact CE1-CD1 4.38Å; F157-F200 AromaticContact CE1-CD2 3.27Å; F157-F200 HydrophobicContact CE1-CD2 3.27Å; F157-F200 AromaticContact CE1-CE2 3.94Å; F157-F200 HydrophobicContact CE1-CE2 3.94Å; F157-F200 AromaticContact CE1-CG 3.52Å; F157-F200 HydrophobicContact CE1-CG 3.52Å; F157-F200 HydrophobicContact CG-CD2 4.31Å; F157-F200 HydrophobicContact CG-CE2 4.2Å; F157-F200 HydrophobicContact CG-CZ 4.48Å; F157-F200 HydrophobicContact CZ-CB 3.97Å; F157-F200 HydrophobicContact CZ-CD2 4.22Å; F157-F200 HydrophobicContact CZ-CG 4.03Å; F200-K202 HydrophobicContact CD1-CG 3.95Å; F200-K202 HydrophobicContact CE1-CB 4.43Å; F200-K202 HydrophobicContact CE1-CG 3.94Å; F200-K202 PolarHBondContact O-N 2.83Å; F200-S206 WeakPolarHBondContact CD2-O 3.47Å; F200-L207 HydrophobicContact CB-CD1 4.4Å |
| 201 | A | 86.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 101.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I204 H205 S206 I208 E255 | A201-I204 HydrophobicContact CB-CD1 3.76Å; A201-I204 HydrophobicContact CB-CG1 3.45Å; A201-I204 VanDerWaalsContact CB-CG1 3.45Å; A201-H205 WeakPolarHBondContact O-CA 3.39Å; A201-H205 PolarHBondContact O-N 3.4Å; A201-S206 WeakPolarHBondContact CA-O 3.19Å; A201-S206 WeakPolarHBondContact CB-O 3.23Å; A201-S206 PolarHBondContact N-O 3Å; A201-S206 PolarHBondContact O-N 3.31Å; A201-S206 VanDerWaalsContact O-N 3.13Å; A201-I208 HydrophobicContact CB-CD1 4.42Å; A201-E255 WeakPolarHBondContact CA-OE1 3.39Å; A201-E255 WeakPolarHBondContact CA-OE2 3.02Å; A201-E255 WeakPolarHBondContact CB-OE1 3.49Å |
| 202 | K | 81.8 | Confident | 84.9 | Confident | 129 Ų | 129 | 33.7 Ų | 33.7 | 56% | 0.561 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -38.6 | -168.7 | -61.3 | 176.8 | -178.2 | 171.9 | 0 | 111.8 | F200 I204 H205 D257 | F200-K202 HydrophobicContact CD1-CG 3.95Å; F200-K202 HydrophobicContact CE1-CB 4.43Å; F200-K202 HydrophobicContact CE1-CG 3.94Å; F200-K202 PolarHBondContact O-N 2.83Å; K202-I204 VanDerWaalsContact C-N 3.31Å; K202-I204 PolarHBondContact O-N 2.85Å; K202-H205 PolarHBondContact O-N 3.27Å; K202-D257 WeakPolarHBondContact CB-OD2 3.22Å |
| 203 | S | 76.7 | Confident | 85.8 | Confident | 44 Ų | 44 | 35.9 Ų | 35.9 | 31% | 0.308 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -35 | -176.8 | 71.1 | 0 | 0 | 0 | 0 | 113.4 | S269 | S203-S269 VanDerWaalsContact CB-OG 3.25Å; S203-S269 WeakPolarHBondContact CB-OG 3.47Å; S203-S269 WeakPolarHBondContact OG-CB 3.49Å; S203-S269 PolarHBondContact OG-OG 3.41Å |
| 204 | I | 78.1 | Confident | 86.5 | Confident | 30 Ų | 30 | 31.9 Ų | 31.9 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 1.4 | -178.9 | 57.3 | 169.5 | 0 | 0 | 0 | 113.1 | A201 K202 S206 L221 E284 | A201-I204 HydrophobicContact CB-CD1 3.76Å; A201-I204 HydrophobicContact CB-CG1 3.45Å; A201-I204 VanDerWaalsContact CB-CG1 3.45Å; K202-I204 VanDerWaalsContact C-N 3.31Å; K202-I204 PolarHBondContact O-N 2.85Å; I204-S206 PolarHBondContact O-N 3.03Å; I204-S206 PolarHBondContact O-OG 3.49Å; I204-L221 WeakPolarHBondContact O-CD1 3.47Å; I204-E284 HydrophobicContact CD1-CB 4.37Å; I204-E284 HydrophobicContact CG2-CB 4.04Å |
| 205 | H | 83.4 | Confident | 86.9 | Confident | 46 Ų | 46 | 26.5 Ų | 26.5 | 21% | 0.213 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 45.8 | -174.3 | -67.4 | -85 | 0 | 0 | 0 | 113 | A201 K202 F220 L221 | A201-H205 WeakPolarHBondContact O-CA 3.39Å; A201-H205 PolarHBondContact O-N 3.4Å; K202-H205 PolarHBondContact O-N 3.27Å; H205-F220 WeakPolarHBondContact O-CA 3.29Å; H205-F220 WeakPolarHBondContact O-CB 3.43Å; H205-F220 PolarHBondContact O-N 2.91Å; H205-L221 HydrophobicContact CB-CD1 4.46Å; H205-L221 HydrophobicContact CB-CG 4.48Å |
| 206 | S | 87.2 | Confident | 86.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.1 | -177.2 | -66.1 | 0 | 0 | 0 | 0 | 112 | F200 A201 I204 C217 F218 | F200-S206 WeakPolarHBondContact CD2-O 3.47Å; A201-S206 WeakPolarHBondContact CA-O 3.19Å; A201-S206 WeakPolarHBondContact CB-O 3.23Å; A201-S206 PolarHBondContact N-O 3Å; A201-S206 PolarHBondContact O-N 3.31Å; A201-S206 VanDerWaalsContact O-N 3.13Å; I204-S206 PolarHBondContact O-N 3.03Å; I204-S206 PolarHBondContact O-OG 3.49Å; S206-C217 VanDerWaalsContact CB-SG 3.53Å; S206-F218 CarbonylContact C-O 3.58Å; S206-F218 VanDerWaalsContact CA-O 3.23Å; S206-F218 WeakPolarHBondContact CA-O 3.49Å; S206-F218 WeakPolarHBondContact CB-O 3.39Å |
| 207 | L | 89.7 | Confident | 87 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.6 | 174.2 | -174.3 | 87.6 | 0 | 0 | 0 | 109.4 | L153 F157 L175 I198 F200 I209 C217 F218 F220 | L153-L207 HydrophobicContact CD2-CD1 3.91Å; F157-L207 HydrophobicContact CE1-CD1 3.66Å; F157-L207 HydrophobicContact CZ-CD1 4.28Å; L175-L207 HydrophobicContact CD1-CD2 3.35Å; I198-L207 HydrophobicContact CD1-CD1 3.77Å; I198-L207 HydrophobicContact CD1-CD2 3.82Å; I198-L207 HydrophobicContact CD1-CG 4Å; I198-L207 HydrophobicContact CG1-CD1 3.74Å; I198-L207 HydrophobicContact CG1-CD2 4.4Å; I198-L207 HydrophobicContact CG1-CG 4.04Å; F200-L207 HydrophobicContact CB-CD1 4.4Å; L207-I209 HydrophobicContact CD2-CD1 3.6Å; L207-I209 HydrophobicContact CD2-CG1 3.87Å; L207-I209 HydrophobicContact CG-CD1 4.36Å; L207-I209 HydrophobicContact CG-CG1 4.08Å; L207-C217 CarbonylContact O-C 3.5Å; L207-C217 WeakPolarHBondContact O-CA 3.27Å; L207-F218 HydrophobicContact CB-CB 4.48Å; L207-F218 PolarHBondContact N-O 2.93Å; L207-F218 PolarHBondContact O-N 3.32Å; L207-F220 HydrophobicContact CB-CD2 4.23Å; L207-F220 HydrophobicContact CB-CE2 3.57Å; L207-F220 HydrophobicContact CD2-CE2 4.4Å |
| 208 | I | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.7 | 179.7 | -56.1 | 174.1 | 0 | 0 | 0 | 109.4 | I198 I199 A201 L215 Y216 C217 W242 V271 | I198-I208 WeakPolarHBondContact CA-O 3.02Å; I199-I208 HydrophobicContact CD1-CB 4.29Å; I199-I208 HydrophobicContact CD1-CD1 4.43Å; I199-I208 HydrophobicContact CG1-CB 3.91Å; I199-I208 PolarHBondContact N-O 3.1Å; I199-I208 PolarHBondContact O-N 2.8Å; A201-I208 HydrophobicContact CB-CD1 4.42Å; I208-L215 HydrophobicContact CG2-CD2 4.24Å; I208-Y216 CarbonylContact C-O 3.49Å; I208-Y216 VanDerWaalsContact CA-O 3.27Å; I208-Y216 WeakPolarHBondContact CA-O 3.38Å; I208-C217 HydrophobicContact CG1-CB 4.24Å; I208-W242 HydrophobicContact CD1-CH2 4.2Å; I208-W242 HydrophobicContact CD1-CZ2 3.99Å; I208-W242 HydrophobicContact CG1-CZ2 4.47Å; I208-W242 HydrophobicContact CG2-CH2 4.29Å; I208-V271 HydrophobicContact CD1-CG1 4.5Å; I208-V271 HydrophobicContact CD1-CG2 3.47Å; I208-V271 VanDerWaalsContact CD1-CG2 3.47Å |
| 209 | I | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.8 | -172.3 | -43.5 | 176.1 | 0 | 0 | 0 | 109.6 | L175 L189 I198 L207 T211 L215 Y216 F218 | L175-I209 HydrophobicContact CD1-CD1 3.62Å; L175-I209 HydrophobicContact CD2-CD1 4.41Å; L175-I209 HydrophobicContact CG-CD1 4.43Å; L189-I209 HydrophobicContact CD1-CD1 3.5Å; L189-I209 VanDerWaalsContact CD1-CD1 3.5Å; L189-I209 HydrophobicContact CD1-CG2 4.22Å; L189-I209 HydrophobicContact CD2-CD1 3.97Å; L189-I209 HydrophobicContact CG-CD1 4.36Å; I198-I209 HydrophobicContact CD1-CD1 4.16Å; I198-I209 HydrophobicContact CD1-CG1 3.99Å; I198-I209 HydrophobicContact CG1-CG1 4.02Å; L207-I209 HydrophobicContact CD2-CD1 3.6Å; L207-I209 HydrophobicContact CD2-CG1 3.87Å; L207-I209 HydrophobicContact CG-CD1 4.36Å; L207-I209 HydrophobicContact CG-CG1 4.08Å; I209-T211 HydrophobicContact CG2-CG2 4.15Å; I209-L215 CarbonylContact O-C 3.54Å; I209-L215 WeakPolarHBondContact O-CA 3.4Å; I209-Y216 PolarHBondContact N-O 3.38Å; I209-Y216 PolarHBondContact O-N 2.97Å; I209-F218 HydrophobicContact CD1-CD2 3.94Å; I209-F218 HydrophobicContact CD1-CE2 3.81Å; I209-F218 HydrophobicContact CG1-CD2 4.41Å; I209-F218 HydrophobicContact CG1-CE2 4.44Å |
| 210 | A | 90 | Very high | 85.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 138.9 | 166 | 0 | 0 | 0 | 0 | 0 | 111.7 | G196 P197 K214 L215 I250 I253 | G196-A210 CarbonylContact C-O 3.56Å; G196-A210 WeakPolarHBondContact CA-O 3.35Å; G196-A210 PolarHBondContact N-O 3.16Å; P197-A210 HydrophobicContact CG-CB 3.85Å; P197-A210 PolarHBondContact O-N 2.89Å; A210-K214 WeakPolarHBondContact CA-O 3.45Å; A210-L215 HydrophobicContact CB-CD2 3.68Å; A210-I250 HydrophobicContact CB-CB 3.73Å; A210-I250 HydrophobicContact CB-CG1 4.28Å; A210-I250 HydrophobicContact CB-CG2 4.11Å; A210-I253 HydrophobicContact CB-CD1 3.72Å |
| 211 | T | 84 | Confident | 84.8 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.055 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 104.7 | 177.2 | 81.5 | 0 | 0 | 0 | 0 | 107.2 | I192 I209 I213 K214 Y216 | I192-T211 HydrophobicContact CD1-CG2 3.19Å; I192-T211 HydrophobicContact CG1-CG2 3.69Å; I192-T211 HydrophobicContact CG2-CG2 4.42Å; I209-T211 HydrophobicContact CG2-CG2 4.15Å; T211-I213 PolarHBondContact O-N 3.3Å; T211-K214 PolarHBondContact N-O 2.79Å; T211-K214 PolarHBondContact O-N 3.43Å; T211-Y216 HydrophobicContact CG2-CD2 3.78Å; T211-Y216 HydrophobicContact CG2-CE2 4.05Å; T211-Y216 WeakPolarHBondContact OG1-CE2 3.29Å |
| 212 | S | 79.2 | Confident | 83.4 | Confident | 62 Ų | 62 | 31.6 Ų | 31.6 | 43% | 0.434 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | -109.8 | -170.8 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | P249 I250 | S212-P249 VanDerWaalsContact O-CA 3.25Å; S212-P249 WeakPolarHBondContact O-CA 3.28Å; S212-I250 PolarHBondContact O-N 3.04Å |
| 213 | I | 87.1 | Confident | 82.2 | Confident | 71 Ų | 71 | 30.2 Ų | 30.2 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0.8 | -175.1 | 63.6 | 171 | 0 | 0 | 0 | 114.9 | T211 V245 L246 | T211-I213 PolarHBondContact O-N 3.3Å; I213-V245 HydrophobicContact CD1-CG1 3.93Å; I213-V245 HydrophobicContact CG1-CG1 4.22Å; I213-L246 PolarHBondContact O-N 3.41Å |
| 214 | K | 87.1 | Confident | 81.2 | Confident | 78 Ų | 78 | 31.7 Ų | 31.7 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143.1 | -174.7 | -61.2 | -165.6 | 179.9 | 177.5 | 0 | 111.3 | A210 T211 Y216 I244 V245 | A210-K214 WeakPolarHBondContact CA-O 3.45Å; T211-K214 PolarHBondContact N-O 2.79Å; T211-K214 PolarHBondContact O-N 3.43Å; K214-Y216 HydrophobicContact CB-CD2 4.34Å; K214-Y216 HydrophobicContact CB-CE2 3.68Å; K214-Y216 HydrophobicContact CD-CE2 4.38Å; K214-I244 WeakPolarHBondContact CA-O 3.24Å; K214-V245 HydrophobicContact CD-CG2 4.06Å; K214-V245 HydrophobicContact CG-CB 4.46Å; K214-V245 HydrophobicContact CG-CG1 4.33Å; K214-V245 HydrophobicContact CG-CG2 3.97Å |
| 215 | L | 89.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.9 | 165.3 | -71.5 | 169.5 | 0 | 0 | 0 | 109.4 | I208 I209 A210 W242 S243 I244 L246 I253 A273 I282 | I208-L215 HydrophobicContact CG2-CD2 4.24Å; I209-L215 CarbonylContact O-C 3.54Å; I209-L215 WeakPolarHBondContact O-CA 3.4Å; A210-L215 HydrophobicContact CB-CD2 3.68Å; L215-W242 HydrophobicContact CB-CZ3 4.28Å; L215-S243 CarbonylContact O-C 3.58Å; L215-S243 WeakPolarHBondContact O-CA 3.18Å; L215-S243 WeakPolarHBondContact O-CB 3.5Å; L215-I244 HydrophobicContact CB-CG2 3.88Å; L215-I244 HydrophobicContact CD1-CG2 4.12Å; L215-I244 PolarHBondContact N-O 3.4Å; L215-I244 PolarHBondContact O-N 2.87Å; L215-L246 HydrophobicContact CD1-CD1 3.47Å; L215-L246 VanDerWaalsContact CD1-CD1 3.47Å; L215-L246 HydrophobicContact CD1-CG 4.35Å; L215-L246 HydrophobicContact CG-CD1 3.99Å; L215-I253 HydrophobicContact CD2-CD1 3.29Å; L215-I253 HydrophobicContact CD2-CG1 4.08Å; L215-A273 HydrophobicContact CD1-CB 4.07Å; L215-I282 HydrophobicContact CD1-CD1 3.16Å |
| 216 | Y | 88.6 | Confident | 78.4 | Confident | 44 Ų | 44 | 35.5 Ų | 35.5 | 17% | 0.173 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.4 | 175.3 | -69 | -97.5 | 0 | 0 | 0 | 109.2 | I208 I209 T211 K214 F218 F240 | I208-Y216 CarbonylContact C-O 3.49Å; I208-Y216 VanDerWaalsContact CA-O 3.27Å; I208-Y216 WeakPolarHBondContact CA-O 3.38Å; I209-Y216 PolarHBondContact N-O 3.38Å; I209-Y216 PolarHBondContact O-N 2.97Å; T211-Y216 HydrophobicContact CG2-CD2 3.78Å; T211-Y216 HydrophobicContact CG2-CE2 4.05Å; T211-Y216 WeakPolarHBondContact OG1-CE2 3.29Å; K214-Y216 HydrophobicContact CB-CD2 4.34Å; K214-Y216 HydrophobicContact CB-CE2 3.68Å; K214-Y216 HydrophobicContact CD-CE2 4.38Å; Y216-F218 HydrophobicContact CD1-CZ 4.35Å; Y216-F218 HydrophobicContact CG-CE2 4.43Å; Y216-F218 HydrophobicContact CG-CZ 4.45Å; Y216-F240 HydrophobicContact CD1-CD2 4.11Å; Y216-F240 AromaticContact CD1-CE2 3.65Å; Y216-F240 HydrophobicContact CD1-CE2 3.65Å; Y216-F240 HydrophobicContact CE1-CE2 4.22Å |
| 217 | C | 89.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.8 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | S206 L207 I208 D241 W242 | S206-C217 VanDerWaalsContact CB-SG 3.53Å; L207-C217 CarbonylContact O-C 3.5Å; L207-C217 WeakPolarHBondContact O-CA 3.27Å; I208-C217 HydrophobicContact CG1-CB 4.24Å; C217-D241 HydrophobicContact CB-CB 4.25Å; C217-D241 PolarHBondContact O-N 3.07Å; C217-W242 HydrophobicContact CB-CD2 3.47Å; C217-W242 VanDerWaalsContact CB-CD2 3.47Å; C217-W242 HydrophobicContact CB-CE3 3.97Å; C217-W242 HydrophobicContact CB-CG 3.9Å; C217-W242 HydrophobicContact CB-CH2 4.07Å; C217-W242 HydrophobicContact CB-CZ2 3.6Å; C217-W242 HydrophobicContact CB-CZ3 4.23Å; C217-W242 PolarHBondContact N-O 2.94Å |
| 218 | F | 86.5 | Confident | 73.9 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.6 | 178.1 | -63.2 | -81.5 | 0 | 0 | 0 | 109.5 | L189 S206 L207 I209 Y216 F220 V238 F240 | L189-F218 HydrophobicContact CD2-CD2 4.35Å; L189-F218 HydrophobicContact CD2-CE1 4.21Å; L189-F218 HydrophobicContact CD2-CE2 3.39Å; L189-F218 HydrophobicContact CD2-CZ 3.31Å; S206-F218 CarbonylContact C-O 3.58Å; S206-F218 VanDerWaalsContact CA-O 3.23Å; S206-F218 WeakPolarHBondContact CA-O 3.49Å; S206-F218 WeakPolarHBondContact CB-O 3.39Å; L207-F218 HydrophobicContact CB-CB 4.48Å; L207-F218 PolarHBondContact N-O 2.93Å; L207-F218 PolarHBondContact O-N 3.32Å; I209-F218 HydrophobicContact CD1-CD2 3.94Å; I209-F218 HydrophobicContact CD1-CE2 3.81Å; I209-F218 HydrophobicContact CG1-CD2 4.41Å; I209-F218 HydrophobicContact CG1-CE2 4.44Å; Y216-F218 HydrophobicContact CD1-CZ 4.35Å; Y216-F218 HydrophobicContact CG-CE2 4.43Å; Y216-F218 HydrophobicContact CG-CZ 4.45Å; F218-F220 HydrophobicContact CB-CE2 4.24Å; F218-F220 WeakPolarHBondContact O-CD2 3.21Å; F218-V238 HydrophobicContact CB-CG1 3.91Å; F218-V238 HydrophobicContact CD1-CG1 4.49Å; F218-F240 HydrophobicContact CE1-CD2 4.43Å |
| 219 | S | 83.7 | Confident | 71.5 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.4 | -175.7 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | L221 P239 | S219-L221 WeakPolarHBondContact OG-CD1 3.08Å; S219-P239 PolarHBondContact N-O 3.3Å |
| 220 | F | 78 | Confident | 69.4 | Low | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.022 | 29% | 0.293 | C | S | . | . | trans | -110 | 16.8 | 176.8 | -68.4 | -90.6 | 0 | 0 | 0 | 113.1 | F157 F158 F177 F185 I187 H205 L207 F218 S222 I225 V238 | F157-F220 WeakPolarHBondContact O-CB 3.36Å; F158-F220 AromaticContact CE1-CD1 3.75Å; F158-F220 HydrophobicContact CE1-CD1 3.75Å; F158-F220 HydrophobicContact CE1-CE1 4.43Å; F158-F220 AromaticContact CZ-CD1 3.99Å; F158-F220 HydrophobicContact CZ-CD1 3.99Å; F158-F220 HydrophobicContact CZ-CE1 4.3Å; F177-F220 HydrophobicContact CE1-CE1 4.36Å; F177-F220 HydrophobicContact CE1-CZ 4.16Å; F177-F220 HydrophobicContact CE2-CZ 4.34Å; F177-F220 HydrophobicContact CZ-CE1 4.08Å; F177-F220 HydrophobicContact CZ-CE2 4.48Å; F177-F220 AromaticContact CZ-CZ 3.62Å; F177-F220 HydrophobicContact CZ-CZ 3.62Å; F185-F220 HydrophobicContact CE2-CE1 4.23Å; F185-F220 AromaticContact CZ-CE1 3.88Å; F185-F220 HydrophobicContact CZ-CE1 3.88Å; I187-F220 HydrophobicContact CD1-CE1 4.24Å; I187-F220 HydrophobicContact CD1-CZ 3.77Å; H205-F220 WeakPolarHBondContact O-CA 3.29Å; H205-F220 WeakPolarHBondContact O-CB 3.43Å; H205-F220 PolarHBondContact O-N 2.91Å; L207-F220 HydrophobicContact CB-CD2 4.23Å; L207-F220 HydrophobicContact CB-CE2 3.57Å; L207-F220 HydrophobicContact CD2-CE2 4.4Å; F218-F220 HydrophobicContact CB-CE2 4.24Å; F218-F220 WeakPolarHBondContact O-CD2 3.21Å; F220-S222 PolarHBondContact O-N 3.1Å; F220-I225 HydrophobicContact CD1-CD1 4.15Å; F220-V238 HydrophobicContact CD1-CG1 4.41Å; F220-V238 HydrophobicContact CE1-CG1 4Å; F220-V238 HydrophobicContact CE1-CG2 3.94Å; F220-V238 HydrophobicContact CE2-CG1 4.18Å; F220-V238 HydrophobicContact CZ-CG1 3.88Å; F220-V238 HydrophobicContact CZ-CG2 4.24Å | ||
| 221 | L | 71.4 | Confident | 66.6 | Low | 76 Ų | 76 | 57.9 Ų | 57.9 | 40% | 0.398 | 32% | 0.319 | S | S | . | . | trans | -54.2 | 139.6 | 175.5 | -84.6 | 99.8 | 0 | 0 | 0 | 111.3 | I204 H205 S219 S223 N224 | I204-L221 WeakPolarHBondContact O-CD1 3.47Å; H205-L221 HydrophobicContact CB-CD1 4.46Å; H205-L221 HydrophobicContact CB-CG 4.48Å; S219-L221 WeakPolarHBondContact OG-CD1 3.08Å; L221-S223 PolarHBondContact O-N 2.95Å; L221-N224 WeakPolarHBondContact O-CB 3.35Å; L221-N224 PolarHBondContact O-N 3.46Å | ||
| 222 | S | 58.9 | Low | 64.1 | Low | 41 Ų | 41 | 68.4 Ų | 68.4 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -57.2 | -22 | -173.9 | 38.6 | 0 | 0 | 0 | 0 | 114 | E159 F220 N224 | E159-S222 WeakPolarHBondContact OE2-CB 3.36Å; E159-S222 PolarHBondContact OE2-OG 3.46Å; F220-S222 PolarHBondContact O-N 3.1Å; S222-N224 PolarHBondContact O-N 2.87Å |
| 223 | S | 55.7 | Low | 61.8 | Low | 100 Ų | 100 | 68 Ų | 68 | 70% | 0.699 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -63.1 | -24.2 | 172.6 | 60.3 | 0 | 0 | 0 | 0 | 114 | L221 | L221-S223 PolarHBondContact O-N 2.95Š|
| 224 | N | 54.7 | Low | 59.3 | Low | 76 Ų | 76 | 70.9 Ų | 70.9 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -99.3 | -7.8 | -169.4 | -63.3 | -15.5 | 0 | 0 | 0 | 113.5 | L221 S222 P239 | L221-N224 WeakPolarHBondContact O-CB 3.35Å; L221-N224 PolarHBondContact O-N 3.46Å; S222-N224 PolarHBondContact O-N 2.87Å; N224-P239 HydrophobicContact CB-CG 3.73Å; N224-P239 WeakPolarHBondContact ND2-CG 3.44Å |
| 225 | I | 57.9 | Low | 57.2 | Low | 28 Ų | 28 | 74.2 Ų | 74.2 | 14% | 0.144 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -120.5 | 95.1 | -173.8 | -53.5 | -179.4 | 0 | 0 | 0 | 107.8 | F158 F220 H227 I230 | F158-I225 HydrophobicContact CD1-CD1 3.84Å; F158-I225 HydrophobicContact CE1-CD1 3.49Å; F158-I225 VanDerWaalsContact CE1-CD1 3.49Å; F220-I225 HydrophobicContact CD1-CD1 4.15Å; I225-H227 PolarHBondContact O-N 3.49Å; I225-H227 VanDerWaalsContact O-N 3.14Å; I225-I230 HydrophobicContact CG2-CG1 4.4Å |
| 226 | E | 45.3 | Very low | 55.3 | Low | 127 Ų | 127 | 77.3 Ų | 77.3 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | trans | -57 | 120 | 178.6 | -70.4 | -175 | 164.7 | 0 | 0 | 111.1 | S228 Q229 | E226-S228 PolarHBondContact O-N 3.42Å; E226-Q229 PolarHBondContact O-N 2.8Å; E226-Q229 PolarHBondContact OE2-NE2 3.34Å | ||
| 227 | H | 43.1 | Very low | 53.8 | Low | 144 Ų | 144 | 83.2 Ų | 83.2 | 67% | 0.667 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -18.4 | -171.6 | -83 | -66.3 | 0 | 0 | 0 | 116.3 | Q160 I225 | Q160-H227 PolarHBondContact NE2-CE1 3.11Å; Q160-H227 VanDerWaalsContact NE2-CE1 3.34Å; I225-H227 PolarHBondContact O-N 3.49Å; I225-H227 VanDerWaalsContact O-N 3.14Å |
| 228 | S | 39.5 | Very low | 52.6 | Low | 94 Ų | 94 | 84.2 Ų | 84.2 | 66% | 0.657 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.4 | -173.3 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | E226 | E226-S228 PolarHBondContact O-N 3.42Š|
| 229 | Q | 40.9 | Very low | 51.7 | Low | 79 Ų | 79 | 85.9 Ų | 85.9 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | trans | -128.9 | 22.2 | -165.8 | -64.2 | 173 | 9.5 | 0 | 0 | 114.1 | E226 S231 K236 | E226-Q229 PolarHBondContact O-N 2.8Å; E226-Q229 PolarHBondContact OE2-NE2 3.34Å; Q229-S231 VanDerWaalsContact C-N 3.27Å; Q229-K236 PolarHBondContact O-NZ 2.95Å; Q229-K236 VanDerWaalsContact O-NZ 3.13Å | ||
| 230 | I | 46.2 | Very low | 51.1 | Low | 76 Ų | 76 | 90.3 Ų | 90.3 | 39% | 0.39 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -80 | -16 | 173 | -61.9 | 169.4 | 0 | 0 | 0 | 110.6 | I225 | I225-I230 HydrophobicContact CG2-CG1 4.4Š|
| 231 | S | 31.9 | Very low | 51.1 | Low | 79 Ų | 79 | 94.1 Ų | 94.1 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -102.6 | 112.9 | 172.9 | 54 | 0 | 0 | 0 | 0 | 110.1 | Q229 | Q229-S231 VanDerWaalsContact C-N 3.27Š|
| 232 | Y | 31.6 | Very low | 52 | Low | 231 Ų | 231 | 91.6 Ų | 91.6 | 91% | 0.906 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 69.1 | 72.5 | 170.2 | -50.3 | -81.4 | 0 | 0 | 0 | 117.2 | ||
| 233 | A | 30.9 | Very low | 53.4 | Low | 54 Ų | 54 | 92.4 Ų | 92.4 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | trans | -152.3 | 106.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H235 | A233-H235 PolarHBondContact O-N 3.29Š| ||
| 234 | N | 34 | Very low | 55 | Low | 131 Ų | 131 | 89.1 Ų | 89.1 | 70% | 0.701 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -62.1 | 129.8 | 166.5 | -72.2 | -25.2 | 0 | 0 | 0 | 108.8 | ||
| 235 | H | 43.4 | Very low | 56.8 | Low | 147 Ų | 147 | 89.6 Ų | 89.6 | 68% | 0.681 | 47% | 0.468 | S | S | * | . | trans | 77.8 | 84 | 173.8 | -41.4 | -69.5 | 0 | 0 | 0 | 115.8 | A233 | A233-H235 PolarHBondContact O-N 3.29Š| ||
| 236 | K | 50.5 | Low | 58.3 | Low | 66 Ų | 66 | 88.9 Ų | 88.9 | 29% | 0.287 | 46% | 0.464 | S | S | . | . | trans | -113.2 | 129.7 | 161.9 | -75.9 | -176.6 | 169.3 | -170.5 | 0 | 110.7 | Q229 V238 | Q229-K236 PolarHBondContact O-NZ 2.95Å; Q229-K236 VanDerWaalsContact O-NZ 3.13Å; K236-V238 PolarHBondContact O-N 3.09Å | ||
| 237 | N | 56.8 | Low | 60.3 | Low | 167 Ų | 167 | 85.7 Ų | 85.7 | 89% | 0.893 | 47% | 0.466 | S | S | * | . | trans | -76.5 | 103.3 | 169.7 | -68.3 | -14.8 | 0 | 0 | 0 | 108 | ||||
| 238 | V | 64.5 | Low | 62.5 | Low | 21 Ų | 21 | 80 Ų | 80 | 13% | 0.127 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 134.1 | 167.3 | 174.4 | 0 | 0 | 0 | 0 | 108.1 | F185 I187 F218 F220 K236 F240 | F185-V238 HydrophobicContact CE2-CG2 4.43Å; I187-V238 HydrophobicContact CD1-CB 3.96Å; I187-V238 HydrophobicContact CD1-CG2 3.36Å; I187-V238 HydrophobicContact CG1-CG2 3.83Å; F218-V238 HydrophobicContact CB-CG1 3.91Å; F218-V238 HydrophobicContact CD1-CG1 4.49Å; F220-V238 HydrophobicContact CD1-CG1 4.41Å; F220-V238 HydrophobicContact CE1-CG1 4Å; F220-V238 HydrophobicContact CE1-CG2 3.94Å; F220-V238 HydrophobicContact CE2-CG1 4.18Å; F220-V238 HydrophobicContact CZ-CG1 3.88Å; F220-V238 HydrophobicContact CZ-CG2 4.24Å; K236-V238 PolarHBondContact O-N 3.09Å; V238-F240 PolarHBondContact O-N 2.85Å |
| 239 | P | 65.9 | Low | 64.9 | Low | 49 Ų | 49 | 77.7 Ų | 77.7 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 124.9 | -176.8 | 26.4 | -35.6 | 0 | 0 | 0 | 110.4 | S219 N224 | S219-P239 PolarHBondContact N-O 3.3Å; N224-P239 HydrophobicContact CB-CG 3.73Å; N224-P239 WeakPolarHBondContact ND2-CG 3.44Å |
| 240 | F | 71.8 | Confident | 67.3 | Low | 105 Ų | 105 | 74.5 Ų | 74.5 | 46% | 0.461 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 125.3 | 169.2 | 169.7 | -96.4 | 0 | 0 | 0 | 109 | Y216 F218 V238 W242 S243 | Y216-F240 HydrophobicContact CD1-CD2 4.11Å; Y216-F240 AromaticContact CD1-CE2 3.65Å; Y216-F240 HydrophobicContact CD1-CE2 3.65Å; Y216-F240 HydrophobicContact CE1-CE2 4.22Å; F218-F240 HydrophobicContact CE1-CD2 4.43Å; V238-F240 PolarHBondContact O-N 2.85Å; F240-W242 VanDerWaalsContact CE2-C 3.45Å; F240-W242 VanDerWaalsContact CE2-O 3.26Å; F240-W242 WeakPolarHBondContact CE2-O 3.47Å; F240-S243 VanDerWaalsContact CZ-N 3.28Å |
| 241 | D | 78.8 | Confident | 69.4 | Low | 86 Ų | 86 | 73.7 Ų | 73.7 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -61.9 | 179.5 | -172.9 | 20.9 | 0 | 0 | 0 | 110.1 | C217 | C217-D241 HydrophobicContact CB-CB 4.25Å; C217-D241 PolarHBondContact O-N 3.07Å |
| 242 | W | 89.2 | Confident | 72.3 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 9% | 0.087 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 163 | 177.7 | 54.3 | -100.5 | 0 | 0 | 0 | 112.9 | I208 L215 C217 F240 I244 I282 E284 | I208-W242 HydrophobicContact CD1-CH2 4.2Å; I208-W242 HydrophobicContact CD1-CZ2 3.99Å; I208-W242 HydrophobicContact CG1-CZ2 4.47Å; I208-W242 HydrophobicContact CG2-CH2 4.29Å; L215-W242 HydrophobicContact CB-CZ3 4.28Å; C217-W242 HydrophobicContact CB-CD2 3.47Å; C217-W242 VanDerWaalsContact CB-CD2 3.47Å; C217-W242 HydrophobicContact CB-CE3 3.97Å; C217-W242 HydrophobicContact CB-CG 3.9Å; C217-W242 HydrophobicContact CB-CH2 4.07Å; C217-W242 HydrophobicContact CB-CZ2 3.6Å; C217-W242 HydrophobicContact CB-CZ3 4.23Å; C217-W242 PolarHBondContact N-O 2.94Å; F240-W242 VanDerWaalsContact CE2-C 3.45Å; F240-W242 VanDerWaalsContact CE2-O 3.26Å; F240-W242 WeakPolarHBondContact CE2-O 3.47Å; W242-I244 HydrophobicContact CE3-CG2 4.41Å; W242-I244 HydrophobicContact CZ3-CG2 3.9Å; W242-I282 HydrophobicContact CH2-CG2 4.13Å; W242-E284 PolarHBondContact NE1-O 2.93Å |
| 243 | S | 88.8 | Confident | 75.2 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.6 | 167.8 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | L215 F240 | L215-S243 CarbonylContact O-C 3.58Å; L215-S243 WeakPolarHBondContact O-CA 3.18Å; L215-S243 WeakPolarHBondContact O-CB 3.5Å; F240-S243 VanDerWaalsContact CZ-N 3.28Å |
| 244 | I | 90.2 | Very high | 78.1 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.159 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.6 | 174 | -171.8 | 169.6 | 0 | 0 | 0 | 110.7 | K214 L215 W242 L246 I282 L288 | K214-I244 WeakPolarHBondContact CA-O 3.24Å; L215-I244 HydrophobicContact CB-CG2 3.88Å; L215-I244 HydrophobicContact CD1-CG2 4.12Å; L215-I244 PolarHBondContact N-O 3.4Å; L215-I244 PolarHBondContact O-N 2.87Å; W242-I244 HydrophobicContact CE3-CG2 4.41Å; W242-I244 HydrophobicContact CZ3-CG2 3.9Å; I244-L246 HydrophobicContact CD1-CD2 4.12Å; I244-L246 HydrophobicContact CG1-CD2 4.11Å; I244-L246 HydrophobicContact CG2-CD2 4.2Å; I244-L246 HydrophobicContact CG2-CG 4.47Å; I244-I282 HydrophobicContact CG2-CD1 4.25Å; I244-L288 HydrophobicContact CD1-CB 3.92Å |
| 245 | V | 91 | Very high | 80.6 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.9 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 108.8 | I213 K214 | I213-V245 HydrophobicContact CD1-CG1 3.93Å; I213-V245 HydrophobicContact CG1-CG1 4.22Å; K214-V245 HydrophobicContact CD-CG2 4.06Å; K214-V245 HydrophobicContact CG-CB 4.46Å; K214-V245 HydrophobicContact CG-CG1 4.33Å; K214-V245 HydrophobicContact CG-CG2 3.97Å |
| 246 | L | 90.5 | Very high | 82.4 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | trans | -96.6 | -11.8 | -176.3 | -62.5 | -179 | 0 | 0 | 0 | 113.5 | I213 L215 I244 E248 I250 A273 F280 I282 | I213-L246 PolarHBondContact O-N 3.41Å; L215-L246 HydrophobicContact CD1-CD1 3.47Å; L215-L246 VanDerWaalsContact CD1-CD1 3.47Å; L215-L246 HydrophobicContact CD1-CG 4.35Å; L215-L246 HydrophobicContact CG-CD1 3.99Å; I244-L246 HydrophobicContact CD1-CD2 4.12Å; I244-L246 HydrophobicContact CG1-CD2 4.11Å; I244-L246 HydrophobicContact CG2-CD2 4.2Å; I244-L246 HydrophobicContact CG2-CG 4.47Å; L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 PolarHBondContact O-N 2.9Å; L246-I250 HydrophobicContact CB-CD1 4.14Å; L246-I250 HydrophobicContact CD1-CD1 3.38Å; L246-I250 HydrophobicContact CD1-CG1 3.86Å; L246-I250 HydrophobicContact CG-CD1 4.39Å; L246-A273 HydrophobicContact CD1-CB 4.17Å; L246-F280 HydrophobicContact CB-CD2 4.38Å; L246-F280 HydrophobicContact CB-CE1 4.17Å; L246-F280 HydrophobicContact CB-CE2 4Å; L246-F280 HydrophobicContact CB-CZ 3.87Å; L246-F280 HydrophobicContact CD1-CB 4.33Å; L246-F280 HydrophobicContact CD1-CD2 3.84Å; L246-F280 HydrophobicContact CD1-CE2 4.24Å; L246-F280 HydrophobicContact CD1-CG 4.02Å; L246-F280 HydrophobicContact CD2-CB 4.34Å; L246-F280 HydrophobicContact CD2-CD1 3.79Å; L246-F280 HydrophobicContact CD2-CD2 4.47Å; L246-F280 HydrophobicContact CD2-CE1 4.13Å; L246-F280 HydrophobicContact CD2-CG 3.96Å; L246-F280 HydrophobicContact CG-CD2 4.47Å; L246-F280 HydrophobicContact CG-CG 4.43Å; L246-F280 WeakPolarHBondContact O-CZ 3.32Å; L246-I282 HydrophobicContact CD1-CD1 4.22Å; L246-I282 HydrophobicContact CD2-CD1 4.35Å | ||
| 247 | G | 87.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 47 Ų | 47 | 63% | 0.629 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 81.2 | -4.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 248 | E | 89.5 | Confident | 83.8 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -142.3 | 157.6 | 172.1 | 66.6 | 172.4 | -163.9 | 0 | 0 | 111 | L246 G275 R276 K277 R278 F280 | L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 PolarHBondContact O-N 2.9Å; E248-G275 WeakPolarHBondContact OE1-CA 3.45Å; E248-R276 PolarHBondContact OE1-N 3.45Å; E248-K277 PolarHBondContact OE1-N 2.83Å; E248-K277 PolarHBondContact OE2-N 2.99Å; E248-K277 VanDerWaalsContact OE2-N 3.16Å; E248-R278 WeakPolarHBondContact OE1-CA 3.14Å; E248-R278 VanDerWaalsContact OE1-CB 3.28Å; E248-R278 WeakPolarHBondContact OE1-CB 3.4Å; E248-R278 PolarHBondContact OE1-N 3.11Å; E248-F280 HydrophobicContact CG-CE2 4.06Å; E248-F280 HydrophobicContact CG-CZ 4.18Å |
| 249 | P | 89.4 | Confident | 83.4 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | trans | -67.2 | 135.8 | 178.9 | 26 | -33 | 0 | 0 | 0 | 112.1 | S212 G275 | S212-P249 VanDerWaalsContact O-CA 3.25Å; S212-P249 WeakPolarHBondContact O-CA 3.28Å; P249-G275 WeakPolarHBondContact O-CA 3.31Å | ||
| 250 | I | 91.7 | Very high | 82.7 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.1 | 179.8 | -53.7 | -54.4 | 0 | 0 | 0 | 109.8 | P197 A210 S212 L246 C252 I253 A273 F280 | P197-I250 WeakPolarHBondContact CD-O 3.22Å; P197-I250 HydrophobicContact CG-CG2 4.08Å; A210-I250 HydrophobicContact CB-CB 3.73Å; A210-I250 HydrophobicContact CB-CG1 4.28Å; A210-I250 HydrophobicContact CB-CG2 4.11Å; S212-I250 PolarHBondContact O-N 3.04Å; L246-I250 HydrophobicContact CB-CD1 4.14Å; L246-I250 HydrophobicContact CD1-CD1 3.38Å; L246-I250 HydrophobicContact CD1-CG1 3.86Å; L246-I250 HydrophobicContact CG-CD1 4.39Å; I250-C252 WeakPolarHBondContact CG2-O 3.44Å; I250-I253 HydrophobicContact CG2-CD1 4.3Å; I250-I253 HydrophobicContact CG2-CG1 3.59Å; I250-A273 HydrophobicContact CD1-CB 4.44Å; I250-A273 HydrophobicContact CG2-CB 4.1Å; I250-F280 HydrophobicContact CD1-CD2 4.17Å; I250-F280 HydrophobicContact CD1-CE2 4.09Å |
| 251 | L | 90.2 | Very high | 81.4 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -43.2 | -177.9 | -59.7 | 176.9 | 0 | 0 | 0 | 111.3 | L274 R276 S298 | L251-L274 PolarHBondContact N-O 3.12Å; L251-R276 HydrophobicContact CD1-CG 4.12Å; L251-R276 HydrophobicContact CD2-CG 4.25Å; L251-R276 HydrophobicContact CG-CG 4.34Å; L251-S298 VanDerWaalsContact CD1-O 3.22Å; L251-S298 WeakPolarHBondContact CD1-O 3.42Å |
| 252 | C | 91.4 | Very high | 79.7 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 12% | 0.122 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 147.1 | -179.2 | -68.1 | 0 | 0 | 0 | 0 | 109.8 | I250 L274 L301 | I250-C252 WeakPolarHBondContact CG2-O 3.44Å; C252-L274 HydrophobicContact CB-CB 4.42Å; C252-L274 PolarHBondContact N-O 2.63Å; C252-L274 PolarHBondContact O-N 3.03Å; C252-L301 HydrophobicContact CB-CB 3.8Å |
| 253 | I | 93.2 | Very high | 77.6 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.7 | 168.4 | -53 | 161.2 | 0 | 0 | 0 | 106.1 | P197 I199 A210 L215 I250 V271 V272 A273 | P197-I253 HydrophobicContact CB-CB 4.49Å; P197-I253 HydrophobicContact CB-CD1 4.19Å; P197-I253 HydrophobicContact CB-CG1 4.16Å; P197-I253 HydrophobicContact CG-CD1 3.91Å; P197-I253 HydrophobicContact CG-CG1 3.84Å; P197-I253 WeakPolarHBondContact O-CD1 3.49Å; I199-I253 HydrophobicContact CD1-CG2 3.57Å; I199-I253 HydrophobicContact CG1-CG2 3.88Å; I199-I253 HydrophobicContact CG2-CB 4.23Å; I199-I253 HydrophobicContact CG2-CG2 4.3Å; I199-I253 WeakPolarHBondContact CG2-O 3.45Å; A210-I253 HydrophobicContact CB-CD1 3.72Å; L215-I253 HydrophobicContact CD2-CD1 3.29Å; L215-I253 HydrophobicContact CD2-CG1 4.08Å; I250-I253 HydrophobicContact CG2-CD1 4.3Å; I250-I253 HydrophobicContact CG2-CG1 3.59Å; I253-V271 HydrophobicContact CG2-CG1 3.37Å; I253-V272 WeakPolarHBondContact CA-O 3.33Å; I253-A273 HydrophobicContact CG1-CB 4.35Å |
| 254 | D | 91.1 | Very high | 75.4 | Confident | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.3 | 172.3 | -154.8 | -0.7 | 0 | 0 | 0 | 109 | V272 L301 V303 | D254-V272 PolarHBondContact N-O 2.8Å; D254-V272 PolarHBondContact O-N 2.87Å; D254-L301 HydrophobicContact CB-CD2 3.75Å; D254-L301 HydrophobicContact CB-CG 4.28Å; D254-V303 HydrophobicContact CB-CB 4.21Å; D254-V303 HydrophobicContact CB-CG2 3.69Å; D254-V303 WeakPolarHBondContact OD2-CB 3.36Å; D254-V303 PolarHBondContact OD2-N 2.86Å; D254-V303 VanDerWaalsContact OD2-N 3.15Å |
| 255 | E | 88.4 | Confident | 73.2 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 145.6 | -178.5 | -179.6 | 179.4 | -142.1 | 0 | 0 | 111 | I199 A201 D257 | I199-E255 HydrophobicContact CD1-CB 3.91Å; A201-E255 WeakPolarHBondContact CA-OE1 3.39Å; A201-E255 WeakPolarHBondContact CA-OE2 3.02Å; A201-E255 WeakPolarHBondContact CB-OE1 3.49Å; E255-D257 VanDerWaalsContact CD-CG 3.41Å |
| 256 | I | 79.5 | Confident | 71.4 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 100.8 | 164 | -63.8 | 163.1 | 0 | 0 | 0 | 107.6 | S269 Y270 V272 V303 P330 | I256-S269 VanDerWaalsContact O-CA 3.3Å; I256-S269 WeakPolarHBondContact O-CA 3.32Å; I256-S269 WeakPolarHBondContact O-CB 3.14Å; I256-Y270 PolarHBondContact N-O 3.36Å; I256-Y270 PolarHBondContact O-N 2.79Å; I256-V272 HydrophobicContact CD1-CG2 3.92Å; I256-V303 HydrophobicContact CB-CG1 4.43Å; I256-V303 HydrophobicContact CD1-CG1 3.73Å; I256-V303 HydrophobicContact CD1-CG2 4.09Å; I256-V303 HydrophobicContact CG1-CB 4.19Å; I256-V303 HydrophobicContact CG1-CG1 3.14Å; I256-V303 HydrophobicContact CG1-CG2 4Å; I256-P330 HydrophobicContact CD1-CB 3.08Å; I256-P330 HydrophobicContact CD1-CG 4.42Å |
| 257 | D | 73.9 | Confident | 69.6 | Low | 39 Ų | 39 | 62.5 Ų | 62.5 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 136.6 | 171.7 | -88.3 | -28.1 | 0 | 0 | 0 | 111 | K202 E255 S269 | K202-D257 WeakPolarHBondContact CB-OD2 3.22Å; E255-D257 VanDerWaalsContact CD-CG 3.41Å; D257-S269 PolarHBondContact OD1-OG 2.97Å |
| 258 | S | 63.5 | Low | 68.5 | Low | 33 Ų | 33 | 62.9 Ų | 62.9 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | trans | -85.6 | 118.3 | 163.5 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | S260 L268 | S258-S260 PolarHBondContact O-N 2.89Å; S258-S260 PolarHBondContact OG-OG 3.35Å; S258-L268 WeakPolarHBondContact CB-O 3.3Å; S258-L268 PolarHBondContact N-O 3.41Å; S258-L268 VanDerWaalsContact N-O 3.08Å | ||
| 259 | E | 55.7 | Low | 67.9 | Low | 126 Ų | 126 | 61.8 Ų | 61.8 | 59% | 0.589 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -67.5 | -16 | 178.4 | -69.3 | -178.7 | 143.8 | 0 | 0 | 113 | A261 T368 | E259-A261 PolarHBondContact O-N 3.04Å; E259-T368 HydrophobicContact CG-CG2 4.28Å; E259-T368 PolarHBondContact OE2-OG1 3.18Å |
| 260 | S | 51.4 | Low | 67.7 | Low | 32 Ų | 32 | 61.6 Ų | 61.6 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | trans | -99 | 88.6 | -176.9 | 70.4 | 0 | 0 | 0 | 0 | 112.4 | S258 T262 | S258-S260 PolarHBondContact O-N 2.89Å; S258-S260 PolarHBondContact OG-OG 3.35Å; S260-T262 PolarHBondContact O-N 3.5Å | ||
| 261 | A | 44.9 | Very low | 67.6 | Low | 86 Ų | 86 | 61.1 Ų | 61.1 | 71% | 0.711 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -4.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E259 | E259-A261 PolarHBondContact O-N 3.04Š|
| 262 | T | 43.7 | Very low | 67.7 | Low | 137 Ų | 137 | 58.3 Ų | 58.3 | 84% | 0.84 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.3 | -167.6 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | S260 | S260-T262 PolarHBondContact O-N 3.5Š|
| 263 | S | 43.2 | Very low | 67.8 | Low | 33 Ų | 33 | 57.4 Ų | 57.4 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | trans | -114.5 | 113 | 176 | 168.8 | 0 | 0 | 0 | 0 | 111 | H265 Y266 | S263-H265 PolarHBondContact O-N 3.31Å; S263-Y266 VanDerWaalsContact CB-CD2 3.48Å; S263-Y266 WeakPolarHBondContact OG-CD2 3.36Å; S263-Y266 WeakPolarHBondContact OG-CE2 3.29Å | ||
| 264 | K | 42.7 | Very low | 67.9 | Low | 210 Ų | 210 | 56.8 Ų | 56.8 | 91% | 0.913 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 4.2 | 178.6 | -70.6 | -176.8 | 175.4 | -179 | 0 | 115.1 | ||
| 265 | H | 44.6 | Very low | 68 | Low | 165 Ų | 165 | 54.5 Ų | 54.5 | 76% | 0.764 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 7.9 | -168.7 | -74.7 | -63.5 | 0 | 0 | 0 | 115.2 | S263 | S263-H265 PolarHBondContact O-N 3.31Š|
| 266 | Y | 53.7 | Low | 68.1 | Low | 85 Ų | 85 | 60.3 Ų | 60.3 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -122.9 | 136.8 | -179.1 | -51.1 | -59.2 | 0 | 0 | 0 | 110.8 | S263 L268 W328 | S263-Y266 VanDerWaalsContact CB-CD2 3.48Å; S263-Y266 WeakPolarHBondContact OG-CD2 3.36Å; S263-Y266 WeakPolarHBondContact OG-CE2 3.29Å; Y266-L268 PolarHBondContact O-N 2.95Å; Y266-W328 AromaticContact CD1-CD1 3.97Å; Y266-W328 AromaticContact CD1-NE1 3.76Å; Y266-W328 AromaticContact CE1-NE1 3.82Å |
| 267 | P | 52.1 | Low | 68.7 | Low | 58 Ų | 58 | 64.9 Ų | 64.9 | 38% | 0.377 | 33% | 0.331 | S | S | . | . | trans | -59.5 | 130.2 | 165.6 | 26.8 | -32.8 | 0 | 0 | 0 | 108.2 | Y270 | P267-Y270 HydrophobicContact CB-CE1 4.49Å; P267-Y270 HydrophobicContact CG-CE1 4.18Å; P267-Y270 WeakPolarHBondContact CG-OH 3.31Å | ||
| 268 | L | 64.3 | Low | 69.6 | Low | 68 Ų | 68 | 68.1 Ų | 68.1 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | trans | -78.9 | -31.3 | -159 | -67.9 | 132.2 | 0 | 0 | 0 | 112.2 | S258 Y266 E284 | S258-L268 WeakPolarHBondContact CB-O 3.3Å; S258-L268 PolarHBondContact N-O 3.41Å; S258-L268 VanDerWaalsContact N-O 3.08Å; Y266-L268 PolarHBondContact O-N 2.95Å; L268-E284 WeakPolarHBondContact CA-OE2 3.36Å; L268-E284 WeakPolarHBondContact CB-OE2 3.41Å; L268-E284 PolarHBondContact N-OE2 3.36Å | ||
| 269 | S | 76.6 | Confident | 71.1 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.8 | 174.4 | -65 | 0 | 0 | 0 | 0 | 114 | S203 I256 D257 E284 | S203-S269 VanDerWaalsContact CB-OG 3.25Å; S203-S269 WeakPolarHBondContact CB-OG 3.47Å; S203-S269 WeakPolarHBondContact OG-CB 3.49Å; S203-S269 PolarHBondContact OG-OG 3.41Å; I256-S269 VanDerWaalsContact O-CA 3.3Å; I256-S269 WeakPolarHBondContact O-CA 3.32Å; I256-S269 WeakPolarHBondContact O-CB 3.14Å; D257-S269 PolarHBondContact OD1-OG 2.97Å; S269-E284 PolarHBondContact N-OE2 2.79Å; S269-E284 PolarHBondContact O-N 3.07Å |
| 270 | Y | 85.4 | Confident | 72.9 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.7 | 170.8 | -61.5 | -70 | 0 | 0 | 0 | 111.5 | I256 P267 L281 L289 | I256-Y270 PolarHBondContact N-O 3.36Å; I256-Y270 PolarHBondContact O-N 2.79Å; P267-Y270 HydrophobicContact CB-CE1 4.49Å; P267-Y270 HydrophobicContact CG-CE1 4.18Å; P267-Y270 WeakPolarHBondContact CG-OH 3.31Å; Y270-L281 HydrophobicContact CD1-CD2 4.28Å; Y270-L281 HydrophobicContact CD1-CG 4.5Å; Y270-L281 HydrophobicContact CG-CD1 4.37Å; Y270-L289 HydrophobicContact CD1-CD1 3.4Å; Y270-L289 HydrophobicContact CE1-CD1 3.32Å |
| 271 | V | 90.4 | Very high | 74.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119 | 176.8 | 180 | 0 | 0 | 0 | 0 | 108.7 | I199 I208 I253 I282 | I199-V271 HydrophobicContact CD1-CG1 3.99Å; I199-V271 HydrophobicContact CD1-CG2 4.29Å; I208-V271 HydrophobicContact CD1-CG1 4.5Å; I208-V271 HydrophobicContact CD1-CG2 3.47Å; I208-V271 VanDerWaalsContact CD1-CG2 3.47Å; I253-V271 HydrophobicContact CG2-CG1 3.37Å; V271-I282 HydrophobicContact CB-CB 4.31Å; V271-I282 PolarHBondContact N-O 3.49Å; V271-I282 PolarHBondContact O-N 3.33Å |
| 272 | V | 92.7 | Very high | 77 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.7 | 174.4 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | I253 D254 I256 I279 F280 L281 L301 V303 F332 | I253-V272 WeakPolarHBondContact CA-O 3.33Å; D254-V272 PolarHBondContact N-O 2.8Å; D254-V272 PolarHBondContact O-N 2.87Å; I256-V272 HydrophobicContact CD1-CG2 3.92Å; V272-I279 HydrophobicContact CG1-CG2 3.88Å; V272-F280 WeakPolarHBondContact CA-O 3.14Å; V272-L281 HydrophobicContact CG2-CD1 3.7Å; V272-L301 HydrophobicContact CB-CD2 3.96Å; V272-L301 HydrophobicContact CG1-CD1 3.81Å; V272-L301 HydrophobicContact CG1-CD2 3.76Å; V272-L301 HydrophobicContact CG1-CG 4.43Å; V272-L301 WeakPolarHBondContact O-CD2 3.39Å; V272-V303 HydrophobicContact CB-CG2 4.28Å; V272-V303 HydrophobicContact CG2-CG2 4.12Å; V272-F332 HydrophobicContact CG1-CD1 4.22Å; V272-F332 HydrophobicContact CG1-CE1 4.35Å; V272-F332 HydrophobicContact CG1-CG 4.35Å; V272-F332 HydrophobicContact CG2-CD1 4.15Å; V272-F332 HydrophobicContact CG2-CE1 4.49Å |
| 273 | A | 93.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L215 L246 I250 I253 F280 I282 | L215-A273 HydrophobicContact CD1-CB 4.07Å; L246-A273 HydrophobicContact CD1-CB 4.17Å; I250-A273 HydrophobicContact CD1-CB 4.44Å; I250-A273 HydrophobicContact CG2-CB 4.1Å; I253-A273 HydrophobicContact CG1-CB 4.35Å; A273-F280 HydrophobicContact CB-CB 4.29Å; A273-F280 PolarHBondContact N-O 3.1Å; A273-F280 PolarHBondContact O-N 3.16Å; A273-I282 HydrophobicContact CB-CD1 4.27Å |
| 274 | L | 94.5 | Very high | 81 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112.3 | 178.3 | -177.3 | 69 | 0 | 0 | 0 | 109.3 | L251 C252 I279 I294 S298 Q300 L301 V334 | L251-L274 PolarHBondContact N-O 3.12Å; C252-L274 HydrophobicContact CB-CB 4.42Å; C252-L274 PolarHBondContact N-O 2.63Å; C252-L274 PolarHBondContact O-N 3.03Å; L274-I279 HydrophobicContact CD1-CG1 3.87Å; L274-I294 HydrophobicContact CD1-CD1 4.4Å; L274-S298 WeakPolarHBondContact CD1-OG 3.39Å; L274-S298 WeakPolarHBondContact CD2-OG 3.5Å; L274-S298 VanDerWaalsContact CG-OG 3.27Å; L274-S298 WeakPolarHBondContact CG-OG 3.43Å; L274-Q300 WeakPolarHBondContact CD2-O 2.8Å; L274-L301 HydrophobicContact CB-CB 4.09Å; L274-L301 HydrophobicContact CB-CD2 4.34Å; L274-L301 HydrophobicContact CD2-CB 3.9Å; L274-V334 HydrophobicContact CD1-CG1 3.97Å; L274-V334 HydrophobicContact CD1-CG2 4.16Å; L274-V334 HydrophobicContact CD2-CG1 4.11Å |
| 275 | G | 93.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -178.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E248 P249 K277 R278 S298 | E248-G275 WeakPolarHBondContact OE1-CA 3.45Å; P249-G275 WeakPolarHBondContact O-CA 3.31Å; G275-K277 VanDerWaalsContact C-N 3.34Å; G275-K277 PolarHBondContact O-N 2.92Å; G275-R278 PolarHBondContact N-O 3.37Å; G275-S298 PolarHBondContact O-OG 2.83Å |
| 276 | R | 91.3 | Very high | 84.9 | Confident | 139 Ų | 139 | 37.2 Ų | 37.2 | 53% | 0.525 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -58.1 | -41.7 | -176.4 | -78.5 | -175.2 | 165.4 | 130.4 | 0.8 | 113.4 | E248 L251 P297 S298 | E248-R276 PolarHBondContact OE1-N 3.45Å; L251-R276 HydrophobicContact CD1-CG 4.12Å; L251-R276 HydrophobicContact CD2-CG 4.25Å; L251-R276 HydrophobicContact CG-CG 4.34Å; R276-P297 VanDerWaalsContact O-CA 3.25Å; R276-P297 WeakPolarHBondContact O-CA 3.44Å; R276-S298 PolarHBondContact O-N 2.8Å |
| 277 | K | 92.1 | Very high | 86.6 | Confident | 107 Ų | 107 | 35.8 Ų | 35.8 | 47% | 0.465 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -126 | 0.2 | -176 | -65.6 | -174 | 179.5 | -177.9 | 0 | 113.2 | E248 G275 R293 I294 | E248-K277 PolarHBondContact OE1-N 2.83Å; E248-K277 PolarHBondContact OE2-N 2.99Å; E248-K277 VanDerWaalsContact OE2-N 3.16Å; G275-K277 VanDerWaalsContact C-N 3.34Å; G275-K277 PolarHBondContact O-N 2.92Å; K277-R293 CarbonylContact O-C 3.56Å; K277-R293 WeakPolarHBondContact O-CA 3.37Å; K277-I294 PolarHBondContact O-N 3.4Å |
| 278 | R | 92.8 | Very high | 88.4 | Confident | 108 Ų | 108 | 36.8 Ų | 36.8 | 41% | 0.408 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 146.9 | -178.5 | -57 | -177 | -177.8 | -170.1 | 0.7 | 112 | E248 G275 F280 R292 | E248-R278 WeakPolarHBondContact OE1-CA 3.14Å; E248-R278 VanDerWaalsContact OE1-CB 3.28Å; E248-R278 WeakPolarHBondContact OE1-CB 3.4Å; E248-R278 PolarHBondContact OE1-N 3.11Å; G275-R278 PolarHBondContact N-O 3.37Å; R278-F280 HydrophobicContact CB-CD2 4.39Å; R278-F280 HydrophobicContact CB-CE1 4.2Å; R278-F280 HydrophobicContact CB-CE2 3.68Å; R278-F280 HydrophobicContact CB-CZ 3.58Å; R278-F280 HydrophobicContact CG-CZ 4.29Å; R278-R292 CarbonylContact C-O 3.57Å; R278-R292 VanDerWaalsContact CA-O 3.25Å; R278-R292 WeakPolarHBondContact CA-O 3.28Å |
| 279 | I | 93.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.9 | 165.7 | -42.6 | -177.9 | 0 | 0 | 0 | 106.7 | V272 L274 T291 R292 I294 F332 V334 F344 | V272-I279 HydrophobicContact CG1-CG2 3.88Å; L274-I279 HydrophobicContact CD1-CG1 3.87Å; I279-T291 CarbonylContact O-C 3.58Å; I279-T291 VanDerWaalsContact O-CA 3.25Å; I279-T291 WeakPolarHBondContact O-CA 3.49Å; I279-T291 PolarHBondContact O-OG1 3.2Å; I279-R292 HydrophobicContact CB-CB 4.35Å; I279-R292 PolarHBondContact N-O 2.96Å; I279-R292 PolarHBondContact O-N 3.45Å; I279-I294 HydrophobicContact CD1-CD1 3.78Å; I279-I294 HydrophobicContact CD1-CG1 4.25Å; I279-I294 HydrophobicContact CG1-CD1 3.64Å; I279-I294 HydrophobicContact CG1-CG1 4.06Å; I279-F332 HydrophobicContact CD1-CE2 3.66Å; I279-F332 HydrophobicContact CD1-CZ 4.3Å; I279-F332 HydrophobicContact CG2-CE2 3.96Å; I279-F332 HydrophobicContact CG2-CZ 3.98Å; I279-V334 HydrophobicContact CD1-CG2 3.88Å; I279-F344 HydrophobicContact CD1-CD2 4.1Å; I279-F344 HydrophobicContact CD1-CE1 4.3Å; I279-F344 HydrophobicContact CD1-CE2 3.74Å; I279-F344 HydrophobicContact CD1-CZ 3.86Å |
| 280 | F | 93.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.3 | 176.4 | -55 | -87.2 | 0 | 0 | 0 | 108.5 | L246 E248 I250 V272 A273 R278 I282 L288 | L246-F280 HydrophobicContact CB-CD2 4.38Å; L246-F280 HydrophobicContact CB-CE1 4.17Å; L246-F280 HydrophobicContact CB-CE2 4Å; L246-F280 HydrophobicContact CB-CZ 3.87Å; L246-F280 HydrophobicContact CD1-CB 4.33Å; L246-F280 HydrophobicContact CD1-CD2 3.84Å; L246-F280 HydrophobicContact CD1-CE2 4.24Å; L246-F280 HydrophobicContact CD1-CG 4.02Å; L246-F280 HydrophobicContact CD2-CB 4.34Å; L246-F280 HydrophobicContact CD2-CD1 3.79Å; L246-F280 HydrophobicContact CD2-CD2 4.47Å; L246-F280 HydrophobicContact CD2-CE1 4.13Å; L246-F280 HydrophobicContact CD2-CG 3.96Å; L246-F280 HydrophobicContact CG-CD2 4.47Å; L246-F280 HydrophobicContact CG-CG 4.43Å; L246-F280 WeakPolarHBondContact O-CZ 3.32Å; E248-F280 HydrophobicContact CG-CE2 4.06Å; E248-F280 HydrophobicContact CG-CZ 4.18Å; I250-F280 HydrophobicContact CD1-CD2 4.17Å; I250-F280 HydrophobicContact CD1-CE2 4.09Å; V272-F280 WeakPolarHBondContact CA-O 3.14Å; A273-F280 HydrophobicContact CB-CB 4.29Å; A273-F280 PolarHBondContact N-O 3.1Å; A273-F280 PolarHBondContact O-N 3.16Å; R278-F280 HydrophobicContact CB-CD2 4.39Å; R278-F280 HydrophobicContact CB-CE1 4.2Å; R278-F280 HydrophobicContact CB-CE2 3.68Å; R278-F280 HydrophobicContact CB-CZ 3.58Å; R278-F280 HydrophobicContact CG-CZ 4.29Å; F280-I282 HydrophobicContact CB-CD1 4.5Å; F280-I282 HydrophobicContact CB-CG1 4.38Å; F280-L288 HydrophobicContact CB-CD1 3.86Å; F280-L288 HydrophobicContact CD1-CD1 3.8Å; F280-L288 HydrophobicContact CG-CD1 4.33Å |
| 281 | L | 92.5 | Very high | 90.5 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.5 | 165.8 | -174 | 74.4 | 0 | 0 | 0 | 108.2 | Y270 V272 L289 F290 P330 | Y270-L281 HydrophobicContact CD1-CD2 4.28Å; Y270-L281 HydrophobicContact CD1-CG 4.5Å; Y270-L281 HydrophobicContact CG-CD1 4.37Å; V272-L281 HydrophobicContact CG2-CD1 3.7Å; L281-L289 HydrophobicContact CB-CB 4.36Å; L281-L289 HydrophobicContact CD2-CB 3.99Å; L281-L289 HydrophobicContact CD2-CD1 3.78Å; L281-L289 HydrophobicContact CG-CB 4.23Å; L281-L289 HydrophobicContact CG-CD1 4.07Å; L281-L289 WeakPolarHBondContact O-CB 3.27Å; L281-L289 PolarHBondContact O-N 2.86Å; L281-F290 HydrophobicContact CB-CD1 3.46Å; L281-F290 VanDerWaalsContact CB-CD1 3.46Å; L281-F290 HydrophobicContact CB-CD2 4.38Å; L281-F290 HydrophobicContact CB-CE1 3.33Å; L281-F290 HydrophobicContact CB-CE2 4.23Å; L281-F290 HydrophobicContact CB-CG 4Å; L281-F290 HydrophobicContact CB-CZ 3.71Å; L281-F290 HydrophobicContact CD1-CE1 4.48Å; L281-F290 HydrophobicContact CD2-CD1 3.61Å; L281-F290 HydrophobicContact CD2-CE1 3.41Å; L281-F290 VanDerWaalsContact CD2-CE1 3.41Å; L281-F290 HydrophobicContact CD2-CZ 4.44Å; L281-F290 HydrophobicContact CG-CD1 4.15Å; L281-F290 HydrophobicContact CG-CE1 3.88Å; L281-F290 PolarHBondContact N-O 3.44Å; L281-F290 PolarHBondContact O-N 3.39Å; L281-P330 HydrophobicContact CD1-CB 4.4Å; L281-P330 HydrophobicContact CD1-CG 3.76Å; L281-P330 HydrophobicContact CD2-CG 3.94Å; L281-P330 HydrophobicContact CG-CG 4.49Å |
| 282 | I | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.1 | -174.8 | -53.1 | 167.2 | 0 | 0 | 0 | 107.4 | L215 W242 I244 L246 V271 A273 F280 S287 L288 | L215-I282 HydrophobicContact CD1-CD1 3.16Å; W242-I282 HydrophobicContact CH2-CG2 4.13Å; I244-I282 HydrophobicContact CG2-CD1 4.25Å; L246-I282 HydrophobicContact CD1-CD1 4.22Å; L246-I282 HydrophobicContact CD2-CD1 4.35Å; V271-I282 HydrophobicContact CB-CB 4.31Å; V271-I282 PolarHBondContact N-O 3.49Å; V271-I282 PolarHBondContact O-N 3.33Å; A273-I282 HydrophobicContact CB-CD1 4.27Å; F280-I282 HydrophobicContact CB-CD1 4.5Å; F280-I282 HydrophobicContact CB-CG1 4.38Å; I282-S287 WeakPolarHBondContact CA-O 3.49Å; I282-L288 HydrophobicContact CG1-CD1 4.25Å |
| 283 | S | 87.4 | Confident | 90.6 | Very high | 8 Ų | 8 | 54 Ų | 54 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 163.9 | 172 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | T285 G286 S287 | S283-T285 PolarHBondContact O-N 2.99Å; S283-T285 VanDerWaalsContact O-N 3.17Å; S283-T285 PolarHBondContact OG-N 2.88Å; S283-T285 PolarHBondContact OG-OG1 3.08Å; S283-G286 PolarHBondContact O-N 2.95Å; S283-S287 WeakPolarHBondContact CB-OG 2.89Å; S283-S287 PolarHBondContact N-O 2.88Å; S283-S287 WeakPolarHBondContact OG-CB 3.29Å; S283-S287 PolarHBondContact OG-N 3.09Å; S283-S287 PolarHBondContact OG-O 3.22Å; S283-S287 PolarHBondContact OG-OG 3.49Å |
| 284 | E | 81.9 | Confident | 90.4 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -32.9 | 168.4 | 66.7 | -162.3 | 177.4 | 0 | 0 | 114.2 | I204 W242 L268 S269 G286 | I204-E284 HydrophobicContact CD1-CB 4.37Å; I204-E284 HydrophobicContact CG2-CB 4.04Å; W242-E284 PolarHBondContact NE1-O 2.93Å; L268-E284 WeakPolarHBondContact CA-OE2 3.36Å; L268-E284 WeakPolarHBondContact CB-OE2 3.41Å; L268-E284 PolarHBondContact N-OE2 3.36Å; S269-E284 PolarHBondContact N-OE2 2.79Å; S269-E284 PolarHBondContact O-N 3.07Å; E284-G286 VanDerWaalsContact C-N 3.29Å; E284-G286 PolarHBondContact O-N 3.11Å |
| 285 | T | 84.5 | Confident | 90 | Very high | 98 Ų | 98 | 61.1 Ų | 61.1 | 60% | 0.601 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 2.7 | 178.6 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | S283 | S283-T285 PolarHBondContact O-N 2.99Å; S283-T285 VanDerWaalsContact O-N 3.17Å; S283-T285 PolarHBondContact OG-N 2.88Å; S283-T285 PolarHBondContact OG-OG1 3.08Å |
| 286 | G | 86.6 | Confident | 89.7 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 81.9 | 8.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S283 E284 | S283-G286 PolarHBondContact O-N 2.95Å; E284-G286 VanDerWaalsContact C-N 3.29Å; E284-G286 PolarHBondContact O-N 3.11Å |
| 287 | S | 88.7 | Confident | 89.7 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | trans | -80.6 | 136.4 | 174.3 | 78.1 | 0 | 0 | 0 | 0 | 111.3 | I282 S283 L289 | I282-S287 WeakPolarHBondContact CA-O 3.49Å; S283-S287 WeakPolarHBondContact CB-OG 2.89Å; S283-S287 PolarHBondContact N-O 2.88Å; S283-S287 WeakPolarHBondContact OG-CB 3.29Å; S283-S287 PolarHBondContact OG-N 3.09Å; S283-S287 PolarHBondContact OG-O 3.22Å; S283-S287 PolarHBondContact OG-OG 3.49Å; S287-L289 PolarHBondContact O-N 2.91Å | ||
| 288 | L | 90.6 | Very high | 89.7 | Confident | 78 Ų | 78 | 52.8 Ų | 52.8 | 41% | 0.408 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 111.2 | 174.8 | -177.8 | 69.9 | 0 | 0 | 0 | 110.3 | I244 F280 I282 F290 | I244-L288 HydrophobicContact CD1-CB 3.92Å; F280-L288 HydrophobicContact CB-CD1 3.86Å; F280-L288 HydrophobicContact CD1-CD1 3.8Å; F280-L288 HydrophobicContact CG-CD1 4.33Å; I282-L288 HydrophobicContact CG1-CD1 4.25Å; L288-F290 WeakPolarHBondContact CD1-O 3.29Å |
| 289 | L | 88.5 | Confident | 89.5 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 44% | 0.44 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -45.1 | -179.8 | -63.5 | 174.7 | 0 | 0 | 0 | 112.2 | Y270 L281 S287 | Y270-L289 HydrophobicContact CD1-CD1 3.4Å; Y270-L289 HydrophobicContact CE1-CD1 3.32Å; L281-L289 HydrophobicContact CB-CB 4.36Å; L281-L289 HydrophobicContact CD2-CB 3.99Å; L281-L289 HydrophobicContact CD2-CD1 3.78Å; L281-L289 HydrophobicContact CG-CB 4.23Å; L281-L289 HydrophobicContact CG-CD1 4.07Å; L281-L289 WeakPolarHBondContact O-CB 3.27Å; L281-L289 PolarHBondContact O-N 2.86Å; S287-L289 PolarHBondContact O-N 2.91Å |
| 290 | F | 89.5 | Confident | 89.4 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 161 | 169.6 | 75.2 | -104.7 | 0 | 0 | 0 | 111.9 | L281 L288 R292 F332 G346 A347 | L281-F290 HydrophobicContact CB-CD1 3.46Å; L281-F290 VanDerWaalsContact CB-CD1 3.46Å; L281-F290 HydrophobicContact CB-CD2 4.38Å; L281-F290 HydrophobicContact CB-CE1 3.33Å; L281-F290 HydrophobicContact CB-CE2 4.23Å; L281-F290 HydrophobicContact CB-CG 4Å; L281-F290 HydrophobicContact CB-CZ 3.71Å; L281-F290 HydrophobicContact CD1-CE1 4.48Å; L281-F290 HydrophobicContact CD2-CD1 3.61Å; L281-F290 HydrophobicContact CD2-CE1 3.41Å; L281-F290 VanDerWaalsContact CD2-CE1 3.41Å; L281-F290 HydrophobicContact CD2-CZ 4.44Å; L281-F290 HydrophobicContact CG-CD1 4.15Å; L281-F290 HydrophobicContact CG-CE1 3.88Å; L281-F290 PolarHBondContact N-O 3.44Å; L281-F290 PolarHBondContact O-N 3.39Å; L288-F290 WeakPolarHBondContact CD1-O 3.29Å; F290-R292 HydrophobicContact CD2-CB 4.45Å; F290-R292 HydrophobicContact CE2-CB 4.27Å; F290-F332 HydrophobicContact CZ-CE1 4.34Å; F290-F332 HydrophobicContact CZ-CZ 4.26Å; F290-G346 WeakPolarHBondContact CZ-O 3.48Å; F290-A347 HydrophobicContact CD2-CB 3.89Å; F290-A347 HydrophobicContact CE2-CB 3.99Å; F290-A347 HydrophobicContact CG-CB 4.26Å; F290-A347 HydrophobicContact CZ-CB 4.38Å |
| 291 | T | 92 | Very high | 89.3 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.6 | 165.9 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | I279 | I279-T291 CarbonylContact O-C 3.58Å; I279-T291 VanDerWaalsContact O-CA 3.25Å; I279-T291 WeakPolarHBondContact O-CA 3.49Å; I279-T291 PolarHBondContact O-OG1 3.2Å |
| 292 | R | 92.3 | Very high | 89.4 | Confident | 117 Ų | 117 | 51.6 Ų | 51.6 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119 | 175.7 | -178.6 | 67.1 | -179.6 | -175.2 | -0.1 | 109.1 | R278 I279 F290 F344 | R278-R292 CarbonylContact C-O 3.57Å; R278-R292 VanDerWaalsContact CA-O 3.25Å; R278-R292 WeakPolarHBondContact CA-O 3.28Å; I279-R292 HydrophobicContact CB-CB 4.35Å; I279-R292 PolarHBondContact N-O 2.96Å; I279-R292 PolarHBondContact O-N 3.45Å; F290-R292 HydrophobicContact CD2-CB 4.45Å; F290-R292 HydrophobicContact CE2-CB 4.27Å; R292-F344 HydrophobicContact CG-CE1 4.33Å |
| 293 | R | 92.3 | Very high | 89.4 | Confident | 165 Ų | 165 | 51.7 Ų | 51.7 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 137.9 | 171.7 | -175.7 | 176.5 | 171.4 | 168.5 | -2.3 | 110.2 | K277 | K277-R293 CarbonylContact O-C 3.56Å; K277-R293 WeakPolarHBondContact O-CA 3.37Å |
| 294 | I | 89 | Confident | 89.4 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | trans | -116.6 | 130.9 | 171.4 | -44.5 | 173.1 | 0 | 0 | 0 | 107 | L274 K277 I279 I296 V334 L342 | L274-I294 HydrophobicContact CD1-CD1 4.4Å; K277-I294 PolarHBondContact O-N 3.4Å; I279-I294 HydrophobicContact CD1-CD1 3.78Å; I279-I294 HydrophobicContact CD1-CG1 4.25Å; I279-I294 HydrophobicContact CG1-CD1 3.64Å; I279-I294 HydrophobicContact CG1-CG1 4.06Å; I294-I296 WeakPolarHBondContact CG2-O 3.35Å; I294-V334 HydrophobicContact CD1-CG1 4.1Å; I294-L342 HydrophobicContact CG2-CD1 4.1Å | ||
| 295 | D | 86.9 | Confident | 89.5 | Confident | 134 Ų | 134 | 50.8 Ų | 50.8 | 72% | 0.717 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -74.9 | -32 | -178.9 | -63.2 | -41 | 0 | 0 | 0 | 112.6 | ||
| 296 | I | 87.5 | Confident | 89.3 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -91.5 | 129.7 | 175.7 | -51.6 | 169.1 | 0 | 0 | 0 | 108.2 | I294 S298 T336 K338 | I294-I296 WeakPolarHBondContact CG2-O 3.35Å; I296-S298 PolarHBondContact O-N 3.47Å; I296-T336 HydrophobicContact CB-CG2 4.22Å; I296-T336 HydrophobicContact CG2-CG2 4.23Å; I296-K338 HydrophobicContact CD1-CD 4.13Å; I296-K338 HydrophobicContact CG1-CD 4.31Å; I296-K338 HydrophobicContact CG2-CB 4.01Å; I296-K338 HydrophobicContact CG2-CD 4Å; I296-K338 HydrophobicContact CG2-CG 3.76Å |
| 297 | P | 90.9 | Very high | 88.6 | Confident | 36 Ų | 36 | 47.2 Ų | 47.2 | 23% | 0.234 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 136.6 | 178.1 | -23.6 | 32.7 | 0 | 0 | 0 | 112.2 | R276 T336 E337 | R276-P297 VanDerWaalsContact O-CA 3.25Å; R276-P297 WeakPolarHBondContact O-CA 3.44Å; P297-T336 CarbonylContact O-C 3.6Å; P297-T336 WeakPolarHBondContact O-CA 2.93Å; P297-T336 WeakPolarHBondContact O-CB 3.26Å; P297-E337 HydrophobicContact CB-CG 3.92Å; P297-E337 PolarHBondContact O-N 3.09Å |
| 298 | S | 92 | Very high | 87.7 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 154 | 179.8 | 77.1 | 0 | 0 | 0 | 0 | 111 | L251 L274 G275 R276 I296 T335 | L251-S298 VanDerWaalsContact CD1-O 3.22Å; L251-S298 WeakPolarHBondContact CD1-O 3.42Å; L274-S298 WeakPolarHBondContact CD1-OG 3.39Å; L274-S298 WeakPolarHBondContact CD2-OG 3.5Å; L274-S298 VanDerWaalsContact CG-OG 3.27Å; L274-S298 WeakPolarHBondContact CG-OG 3.43Å; G275-S298 PolarHBondContact O-OG 2.83Å; R276-S298 PolarHBondContact O-N 2.8Å; I296-S298 PolarHBondContact O-N 3.47Å; S298-T335 CarbonylContact C-O 3.6Å; S298-T335 WeakPolarHBondContact CA-O 3.45Å |
| 299 | K | 88.3 | Confident | 86.1 | Confident | 84 Ų | 84 | 51.3 Ų | 51.3 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -44.2 | 176.8 | -82.4 | -177.1 | 167.8 | 169.7 | 0 | 112.3 | T335 E337 | K299-T335 PolarHBondContact N-O 3.28Å; K299-E337 HydrophobicContact CD-CG 4.31Å; K299-E337 HydrophobicContact CG-CG 3.88Å |
| 300 | Q | 91 | Very high | 84.5 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.8 | -171.5 | -157.6 | -156.3 | -24.1 | 0 | 0 | 112.7 | L274 V334 T335 I360 I362 | L274-Q300 WeakPolarHBondContact CD2-O 2.8Å; Q300-V334 VanDerWaalsContact O-CA 3.31Å; Q300-V334 WeakPolarHBondContact O-CA 3.45Å; Q300-T335 WeakPolarHBondContact CB-OG1 3.43Å; Q300-T335 PolarHBondContact N-OG1 3.34Å; Q300-T335 PolarHBondContact O-N 3.36Å; Q300-I360 PolarHBondContact OE1-O 3.22Å; Q300-I362 VanDerWaalsContact CD-N 3.25Å; Q300-I362 VanDerWaalsContact NE2-N 3.11Å; Q300-I362 PolarHBondContact NE2-O 3.03Å |
| 301 | L | 93.2 | Very high | 82.7 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.4 | 173.9 | -179.6 | 65.4 | 0 | 0 | 0 | 110.3 | C252 D254 V272 L274 F332 L333 V334 | C252-L301 HydrophobicContact CB-CB 3.8Å; D254-L301 HydrophobicContact CB-CD2 3.75Å; D254-L301 HydrophobicContact CB-CG 4.28Å; V272-L301 HydrophobicContact CB-CD2 3.96Å; V272-L301 HydrophobicContact CG1-CD1 3.81Å; V272-L301 HydrophobicContact CG1-CD2 3.76Å; V272-L301 HydrophobicContact CG1-CG 4.43Å; V272-L301 WeakPolarHBondContact O-CD2 3.39Å; L274-L301 HydrophobicContact CB-CB 4.09Å; L274-L301 HydrophobicContact CB-CD2 4.34Å; L274-L301 HydrophobicContact CD2-CB 3.9Å; L301-F332 HydrophobicContact CD1-CB 3.96Å; L301-F332 HydrophobicContact CD1-CD2 3.98Å; L301-F332 HydrophobicContact CD1-CG 4.15Å; L301-L333 WeakPolarHBondContact CA-O 3.22Å; L301-V334 HydrophobicContact CD1-CG2 4.19Å |
| 302 | C | 93 | Very high | 80.2 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 112.1 | 163.5 | 180 | 0 | 0 | 0 | 0 | 108.9 | F332 L333 I362 M364 | C302-F332 CarbonylContact O-C 3.47Å; C302-F332 WeakPolarHBondContact O-CA 3.47Å; C302-L333 HydrophobicContact CB-CB 4.29Å; C302-L333 PolarHBondContact N-O 2.92Å; C302-L333 PolarHBondContact O-N 3.33Å; C302-I362 HydrophobicContact CB-CD1 3.63Å; C302-I362 HydrophobicContact CB-CG1 3.86Å; C302-M364 PolarHBondContact SG-N 3.1Å; C302-M364 VanDerWaalsContact SG-N 3.42Å |
| 303 | V | 91.4 | Very high | 77.7 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 143.5 | 170.4 | 162.5 | 0 | 0 | 0 | 0 | 109.6 | D254 I256 V272 F332 | D254-V303 HydrophobicContact CB-CB 4.21Å; D254-V303 HydrophobicContact CB-CG2 3.69Å; D254-V303 WeakPolarHBondContact OD2-CB 3.36Å; D254-V303 PolarHBondContact OD2-N 2.86Å; D254-V303 VanDerWaalsContact OD2-N 3.15Å; I256-V303 HydrophobicContact CB-CG1 4.43Å; I256-V303 HydrophobicContact CD1-CG1 3.73Å; I256-V303 HydrophobicContact CD1-CG2 4.09Å; I256-V303 HydrophobicContact CG1-CB 4.19Å; I256-V303 HydrophobicContact CG1-CG1 3.14Å; I256-V303 HydrophobicContact CG1-CG2 4Å; V272-V303 HydrophobicContact CB-CG2 4.28Å; V272-V303 HydrophobicContact CG2-CG2 4.12Å; V303-F332 HydrophobicContact CG2-CB 4.06Å |
| 304 | Y | 88.6 | Confident | 75.3 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 11% | 0.106 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 7.1 | 177.7 | 69.9 | -91 | 0 | 0 | 0 | 115 | R331 L333 V343 M364 F367 | Y304-R331 HydrophobicContact CD1-CB 4.35Å; Y304-R331 HydrophobicContact CD2-CB 4.18Å; Y304-R331 HydrophobicContact CE1-CB 3.86Å; Y304-R331 HydrophobicContact CE2-CB 3.65Å; Y304-R331 HydrophobicContact CE2-CG 4.32Å; Y304-R331 VanDerWaalsContact CZ-CB 3.48Å; Y304-R331 PolarHBondContact N-O 2.81Å; Y304-L333 HydrophobicContact CD1-CD1 4.45Å; Y304-L333 HydrophobicContact CD1-CD2 4.29Å; Y304-L333 HydrophobicContact CD1-CG 3.82Å; Y304-L333 HydrophobicContact CE1-CD2 3.83Å; Y304-L333 HydrophobicContact CE1-CG 3.86Å; Y304-V343 HydrophobicContact CE1-CG1 4.35Å; Y304-V343 VanDerWaalsContact OH-CG1 3.29Å; Y304-V343 WeakPolarHBondContact OH-CG1 3.3Å; Y304-M364 VanDerWaalsContact CB-SD 3.53Å; Y304-M364 HydrophobicContact CD1-SD 4.23Å; Y304-M364 HydrophobicContact CD2-CE 4.42Å; Y304-M364 HydrophobicContact CD2-SD 4.05Å; Y304-M364 HydrophobicContact CG-SD 3.69Å; Y304-F367 HydrophobicContact CD2-CD2 4.47Å; Y304-F367 PolarHBondContact O-N 2.7Å |
| 305 | G | 83.5 | Confident | 73 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.3 | -158 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R331 F367 | G305-R331 PolarHBondContact N-O 3.29Å; G305-R331 PolarHBondContact O-N 2.9Å; G305-F367 VanDerWaalsContact CA-O 3.23Å; G305-F367 WeakPolarHBondContact CA-O 3.43Å |
| 306 | Y | 79.4 | Confident | 70.5 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 160 | 179.6 | 54.7 | -104.5 | 0 | 0 | 0 | 112.4 | W328 V329 T368 M369 E370 | Y306-W328 HydrophobicContact CD2-CD2 4.16Å; Y306-W328 AromaticContact CD2-CE3 3.23Å; Y306-W328 HydrophobicContact CD2-CE3 3.23Å; Y306-W328 HydrophobicContact CD2-CH2 4.1Å; Y306-W328 AromaticContact CD2-CZ3 3.2Å; Y306-W328 HydrophobicContact CD2-CZ3 3.2Å; Y306-W328 HydrophobicContact CE2-CD2 4.49Å; Y306-W328 AromaticContact CE2-CE3 3.71Å; Y306-W328 HydrophobicContact CE2-CE3 3.71Å; Y306-W328 AromaticContact CE2-CH2 3.7Å; Y306-W328 HydrophobicContact CE2-CH2 3.7Å; Y306-W328 AromaticContact CE2-CZ3 3.27Å; Y306-W328 HydrophobicContact CE2-CZ3 3.27Å; Y306-W328 HydrophobicContact CG-CE3 4.09Å; Y306-W328 HydrophobicContact CG-CZ3 4.41Å; Y306-V329 CarbonylContact C-O 3.58Å; Y306-V329 WeakPolarHBondContact CA-O 3.3Å; Y306-T368 HydrophobicContact CD1-CG2 4.45Å; Y306-T368 HydrophobicContact CE1-CG2 3.69Å; Y306-M369 HydrophobicContact CE2-CB 4.47Å; Y306-M369 VanDerWaalsContact CE2-O 3.29Å; Y306-M369 WeakPolarHBondContact CE2-O 3.21Å; Y306-M369 VanDerWaalsContact OH-C 3.31Å; Y306-M369 PolarHBondContact OH-N 2.87Å; Y306-M369 PolarHBondContact OH-O 2.86Å; Y306-E370 PolarHBondContact OH-N 2.79Å |
| 307 | S | 72.7 | Confident | 68.1 | Low | 9 Ų | 9 | 65.3 Ų | 65.3 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.4 | 171.9 | -168.7 | 0 | 0 | 0 | 0 | 110.1 | V329 R331 K345 | S307-V329 PolarHBondContact N-O 2.85Å; S307-V329 PolarHBondContact O-N 3.43Å; S307-R331 VanDerWaalsContact CB-NH2 3.3Å; S307-R331 PolarHBondContact OG-NH2 3.45Å; S307-K345 VanDerWaalsContact CB-CE 3.49Å; S307-K345 WeakPolarHBondContact OG-CE 3.34Å; S307-K345 PolarHBondContact OG-NZ 3.4Å |
| 308 | E | 68.5 | Low | 65.4 | Low | 62 Ų | 62 | 68.9 Ų | 68.9 | 29% | 0.29 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 141.8 | 165.4 | -157.3 | -179 | -177.5 | 0 | 0 | 110.4 | V326 W328 L371 | E308-V326 HydrophobicContact CG-CG1 3.25Å; E308-V326 VanDerWaalsContact OE1-CG1 3.24Å; E308-V326 WeakPolarHBondContact OE1-CG1 3.48Å; E308-V326 VanDerWaalsContact OE1-CG2 3.28Å; E308-V326 WeakPolarHBondContact OE1-CG2 3.19Å; E308-W328 HydrophobicContact CB-CE3 4.14Å; E308-W328 HydrophobicContact CB-CH2 4.23Å; E308-W328 HydrophobicContact CB-CZ3 3.72Å; E308-W328 HydrophobicContact CG-CH2 4.31Å; E308-W328 HydrophobicContact CG-CZ3 4.2Å; E308-L371 VanDerWaalsContact CD-CD1 3.49Å; E308-L371 HydrophobicContact CG-CD1 4.38Å; E308-L371 VanDerWaalsContact OE2-CD1 3.32Å; E308-L371 WeakPolarHBondContact OE2-CD1 3.35Å |
| 309 | R | 58.5 | Low | 62.7 | Low | 158 Ų | 158 | 78.1 Ų | 78.1 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 108.7 | 165.9 | -173.8 | -176 | -161.8 | -178 | 4.6 | 107.9 | V311 S327 V329 | R309-V311 PolarHBondContact O-N 3.4Å; R309-S327 WeakPolarHBondContact CB-O 3.09Å; R309-S327 WeakPolarHBondContact CB-OG 3.47Å; R309-S327 PolarHBondContact N-O 3.47Å; R309-S327 PolarHBondContact O-N 2.89Å; R309-S327 PolarHBondContact O-OG 3.1Å; R309-V329 HydrophobicContact CB-CG2 4.11Å |
| 310 | N | 54.4 | Low | 60.3 | Low | 110 Ų | 110 | 80.8 Ų | 80.8 | 59% | 0.588 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 117 | 168.5 | -77.7 | -20.7 | 0 | 0 | 0 | 108.6 | N312 | N310-N312 PolarHBondContact O-N 2.83Å |
| 311 | V | 51.9 | Low | 57.8 | Low | 72 Ų | 72 | 88.2 Ų | 88.2 | 44% | 0.436 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -71.8 | -7.8 | 178.7 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | R309 S313 Q325 | R309-V311 PolarHBondContact O-N 3.4Å; V311-S313 VanDerWaalsContact C-N 3.3Å; V311-S313 PolarHBondContact O-N 2.86Å; V311-S313 VanDerWaalsContact O-N 3.08Å; V311-Q325 VanDerWaalsContact CB-O 3.28Å; V311-Q325 WeakPolarHBondContact CB-O 3.48Å; V311-Q325 WeakPolarHBondContact CG2-O 3.2Å |
| 312 | N | 38.4 | Very low | 54.9 | Low | 107 Ų | 107 | 94.9 Ų | 94.9 | 57% | 0.572 | 51% | 0.511 | S | S | * | . | trans | -86.5 | 62.1 | 174.1 | -60 | -8.3 | 0 | 0 | 0 | 111.6 | N310 | N310-N312 PolarHBondContact O-N 2.83Š| ||
| 313 | S | 41.3 | Very low | 52.4 | Low | 77 Ų | 77 | 103 Ų | 103 | 54% | 0.538 | 55% | 0.548 | S | S | . | . | trans | -81.6 | 134.3 | 159.2 | 54.8 | 0 | 0 | 0 | 0 | 109 | V311 E315 | V311-S313 VanDerWaalsContact C-N 3.3Å; V311-S313 PolarHBondContact O-N 2.86Å; V311-S313 VanDerWaalsContact O-N 3.08Å; S313-E315 PolarHBondContact O-N 2.87Å | ||
| 314 | P | 41 | Very low | 49.9 | Very low | 120 Ų | 120 | 107.3 Ų | 107.3 | 78% | 0.779 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 10 | -164.5 | 26.2 | -34.7 | 0 | 0 | 0 | 116.7 | ||
| 315 | E | 41.6 | Very low | 47.8 | Very low | 171 Ų | 171 | 113.2 Ų | 113.2 | 80% | 0.799 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 1.1 | -169.4 | -69.3 | -176.3 | 165.3 | 0 | 0 | 115.8 | S313 | S313-E315 PolarHBondContact O-N 2.87Š|
| 316 | N | 34.8 | Very low | 46.3 | Very low | 157 Ų | 157 | 114.9 Ų | 114.9 | 84% | 0.84 | 62% | 0.616 | S | S | * | * | trans | -148.3 | 52.7 | 177.6 | -80 | -44 | 0 | 0 | 0 | 114.3 | ||||
| 317 | L | 36.4 | Very low | 45.5 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 70% | 0.702 | 63% | 0.626 | S | S | * | * | trans | -100.5 | 92.5 | 175.9 | -79.9 | 158.2 | 0 | 0 | 0 | 111.6 | ||||
| 318 | S | 34.5 | Very low | 45.4 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 78% | 0.783 | 63% | 0.633 | S | S | * | * | trans | -89 | 108.7 | 152.6 | 57.4 | 0 | 0 | 0 | 0 | 108.8 | T320 | S318-T320 PolarHBondContact O-N 3.33Š| ||
| 319 | F | 34.3 | Very low | 45.9 | Very low | 196 Ų | 196 | 116 Ų | 116 | 86% | 0.86 | 63% | 0.626 | S | S | * | * | trans | -10.5 | 113.8 | 166.2 | -65.3 | -93.8 | 0 | 0 | 0 | 116.9 | ||||
| 320 | T | 38.6 | Very low | 47.2 | Very low | 141 Ų | 141 | 108.7 Ų | 108.7 | 87% | 0.865 | 60% | 0.599 | S | S | * | * | -176.7 | 128.6 | 125.4 | 38.8 | 0 | 0 | 0 | 0 | 110.8 | S318 | S318-T320 PolarHBondContact O-N 3.33Š| |||
| 321 | N | 37.2 | Very low | 48.9 | Very low | 160 Ų | 160 | 107 Ų | 107 | 86% | 0.856 | 58% | 0.584 | S | S | * | * | trans | 26.3 | 107.5 | 166.8 | -72.3 | -9.3 | 0 | 0 | 0 | 121.1 | Q323 | N321-Q323 PolarHBondContact O-N 2.83Š| ||
| 322 | T | 32.4 | Very low | 50.9 | Low | 143 Ų | 143 | 103.6 Ų | 103.6 | 88% | 0.877 | 56% | 0.563 | S | S | * | * | trans | -43.9 | 106.7 | 170.2 | 53.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 323 | Q | 40.3 | Very low | 53.6 | Low | 179 Ų | 179 | 98.7 Ų | 98.7 | 84% | 0.836 | 54% | 0.537 | S | S | * | . | trans | -127 | 125.3 | 138.7 | -73.5 | -177.2 | -8 | 0 | 0 | 106.7 | N321 Q325 | N321-Q323 PolarHBondContact O-N 2.83Å; Q323-Q325 PolarHBondContact O-N 3.21Å | ||
| 324 | S | 40.6 | Very low | 56.1 | Low | 92 Ų | 92 | 95 Ų | 95 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | trans | -67.4 | 97.7 | -179.8 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | V326 | S324-V326 PolarHBondContact O-N 3.42Š| ||
| 325 | Q | 44.5 | Very low | 58.6 | Low | 151 Ų | 151 | 89.4 Ų | 89.4 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | trans | -71.6 | 113.8 | 167.8 | -82.2 | -176.6 | -19.4 | 0 | 0 | 108.6 | V311 Q323 | V311-Q325 VanDerWaalsContact CB-O 3.28Å; V311-Q325 WeakPolarHBondContact CB-O 3.48Å; V311-Q325 WeakPolarHBondContact CG2-O 3.2Å; Q323-Q325 PolarHBondContact O-N 3.21Å | ||
| 326 | V | 51.3 | Low | 61.1 | Low | 36 Ų | 36 | 81.3 Ų | 81.3 | 22% | 0.218 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.7 | 171.3 | 171.5 | 0 | 0 | 0 | 0 | 107.6 | E308 S324 W328 | E308-V326 HydrophobicContact CG-CG1 3.25Å; E308-V326 VanDerWaalsContact OE1-CG1 3.24Å; E308-V326 WeakPolarHBondContact OE1-CG1 3.48Å; E308-V326 VanDerWaalsContact OE1-CG2 3.28Å; E308-V326 WeakPolarHBondContact OE1-CG2 3.19Å; S324-V326 PolarHBondContact O-N 3.42Å; V326-W328 HydrophobicContact CG1-CZ2 4.46Å |
| 327 | S | 62.9 | Low | 63.7 | Low | 43 Ų | 43 | 79.1 Ų | 79.1 | 30% | 0.301 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.8 | 174.1 | 62.7 | 0 | 0 | 0 | 0 | 110 | R309 | R309-S327 WeakPolarHBondContact CB-O 3.09Å; R309-S327 WeakPolarHBondContact CB-OG 3.47Å; R309-S327 PolarHBondContact N-O 3.47Å; R309-S327 PolarHBondContact O-N 2.89Å; R309-S327 PolarHBondContact O-OG 3.1Å |
| 328 | W | 69.4 | Low | 66.2 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 20% | 0.201 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 136.1 | 177 | -65 | 103 | 0 | 0 | 0 | 110.3 | Y266 Y306 E308 V326 L371 | Y266-W328 AromaticContact CD1-CD1 3.97Å; Y266-W328 AromaticContact CD1-NE1 3.76Å; Y266-W328 AromaticContact CE1-NE1 3.82Å; Y306-W328 HydrophobicContact CD2-CD2 4.16Å; Y306-W328 AromaticContact CD2-CE3 3.23Å; Y306-W328 HydrophobicContact CD2-CE3 3.23Å; Y306-W328 HydrophobicContact CD2-CH2 4.1Å; Y306-W328 AromaticContact CD2-CZ3 3.2Å; Y306-W328 HydrophobicContact CD2-CZ3 3.2Å; Y306-W328 HydrophobicContact CE2-CD2 4.49Å; Y306-W328 AromaticContact CE2-CE3 3.71Å; Y306-W328 HydrophobicContact CE2-CE3 3.71Å; Y306-W328 AromaticContact CE2-CH2 3.7Å; Y306-W328 HydrophobicContact CE2-CH2 3.7Å; Y306-W328 AromaticContact CE2-CZ3 3.27Å; Y306-W328 HydrophobicContact CE2-CZ3 3.27Å; Y306-W328 HydrophobicContact CG-CE3 4.09Å; Y306-W328 HydrophobicContact CG-CZ3 4.41Å; E308-W328 HydrophobicContact CB-CE3 4.14Å; E308-W328 HydrophobicContact CB-CH2 4.23Å; E308-W328 HydrophobicContact CB-CZ3 3.72Å; E308-W328 HydrophobicContact CG-CH2 4.31Å; E308-W328 HydrophobicContact CG-CZ3 4.2Å; V326-W328 HydrophobicContact CG1-CZ2 4.46Å; W328-L371 HydrophobicContact CH2-CD1 3.45Å; W328-L371 VanDerWaalsContact CH2-CD1 3.45Å; W328-L371 HydrophobicContact CH2-CG 4.49Å; W328-L371 HydrophobicContact CZ2-CD1 3.77Å |
| 329 | V | 79.4 | Confident | 68.8 | Low | 25 Ų | 25 | 76.3 Ų | 76.3 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125.7 | -177.5 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | Y306 S307 R309 K345 | Y306-V329 CarbonylContact C-O 3.58Å; Y306-V329 WeakPolarHBondContact CA-O 3.3Å; S307-V329 PolarHBondContact N-O 2.85Å; S307-V329 PolarHBondContact O-N 3.43Å; R309-V329 HydrophobicContact CB-CG2 4.11Å; V329-K345 HydrophobicContact CB-CG 4.34Å; V329-K345 HydrophobicContact CG1-CG 3.88Å |
| 330 | P | 86.9 | Confident | 71.6 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 147.9 | -177.9 | 29.8 | -39.1 | 0 | 0 | 0 | 112 | I256 L281 F332 K345 G346 | I256-P330 HydrophobicContact CD1-CB 3.08Å; I256-P330 HydrophobicContact CD1-CG 4.42Å; L281-P330 HydrophobicContact CD1-CB 4.4Å; L281-P330 HydrophobicContact CD1-CG 3.76Å; L281-P330 HydrophobicContact CD2-CG 3.94Å; L281-P330 HydrophobicContact CG-CG 4.49Å; P330-F332 HydrophobicContact CB-CD1 4.3Å; P330-F332 HydrophobicContact CB-CE1 4.49Å; P330-F332 HydrophobicContact CG-CE1 4.26Å; P330-K345 CarbonylContact O-C 3.59Å; P330-K345 WeakPolarHBondContact O-CA 3.19Å; P330-G346 PolarHBondContact O-N 2.9Å |
| 331 | R | 90.3 | Very high | 74.2 | Confident | 74 Ų | 74 | 63 Ų | 63 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128 | 173.4 | -68.1 | -173.4 | -178 | 152.2 | 6.5 | 110.3 | Y304 G305 S307 F344 K345 | Y304-R331 HydrophobicContact CD1-CB 4.35Å; Y304-R331 HydrophobicContact CD2-CB 4.18Å; Y304-R331 HydrophobicContact CE1-CB 3.86Å; Y304-R331 HydrophobicContact CE2-CB 3.65Å; Y304-R331 HydrophobicContact CE2-CG 4.32Å; Y304-R331 VanDerWaalsContact CZ-CB 3.48Å; Y304-R331 PolarHBondContact N-O 2.81Å; G305-R331 PolarHBondContact N-O 3.29Å; G305-R331 PolarHBondContact O-N 2.9Å; S307-R331 VanDerWaalsContact CB-NH2 3.3Å; S307-R331 PolarHBondContact OG-NH2 3.45Å; R331-F344 WeakPolarHBondContact CA-O 3.38Å; R331-K345 HydrophobicContact CG-CB 4.45Å |
| 332 | F | 93.1 | Very high | 77 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.5 | -176.6 | 53.2 | -95.2 | 0 | 0 | 0 | 111.7 | V272 I279 F290 L301 C302 V303 P330 V334 F344 G346 | V272-F332 HydrophobicContact CG1-CD1 4.22Å; V272-F332 HydrophobicContact CG1-CE1 4.35Å; V272-F332 HydrophobicContact CG1-CG 4.35Å; V272-F332 HydrophobicContact CG2-CD1 4.15Å; V272-F332 HydrophobicContact CG2-CE1 4.49Å; I279-F332 HydrophobicContact CD1-CE2 3.66Å; I279-F332 HydrophobicContact CD1-CZ 4.3Å; I279-F332 HydrophobicContact CG2-CE2 3.96Å; I279-F332 HydrophobicContact CG2-CZ 3.98Å; F290-F332 HydrophobicContact CZ-CE1 4.34Å; F290-F332 HydrophobicContact CZ-CZ 4.26Å; L301-F332 HydrophobicContact CD1-CB 3.96Å; L301-F332 HydrophobicContact CD1-CD2 3.98Å; L301-F332 HydrophobicContact CD1-CG 4.15Å; C302-F332 CarbonylContact O-C 3.47Å; C302-F332 WeakPolarHBondContact O-CA 3.47Å; V303-F332 HydrophobicContact CG2-CB 4.06Å; P330-F332 HydrophobicContact CB-CD1 4.3Å; P330-F332 HydrophobicContact CB-CE1 4.49Å; P330-F332 HydrophobicContact CG-CE1 4.26Å; F332-V334 HydrophobicContact CD2-CG2 4.01Å; F332-V334 HydrophobicContact CE2-CG2 4.26Å; F332-F344 HydrophobicContact CD2-CB 3.69Å; F332-F344 HydrophobicContact CD2-CD2 4.04Å; F332-F344 HydrophobicContact CD2-CG 4.17Å; F332-F344 HydrophobicContact CE1-CB 4.2Å; F332-F344 HydrophobicContact CE2-CB 3.24Å; F332-F344 HydrophobicContact CE2-CD1 4.32Å; F332-F344 AromaticContact CE2-CD2 3.59Å; F332-F344 HydrophobicContact CE2-CD2 3.59Å; F332-F344 HydrophobicContact CE2-CE2 4.5Å; F332-F344 AromaticContact CE2-CG 3.48Å; F332-F344 HydrophobicContact CE2-CG 3.48Å; F332-F344 VanDerWaalsContact CE2-CG 3.48Å; F332-F344 HydrophobicContact CG-CB 4.32Å; F332-F344 HydrophobicContact CZ-CB 3.54Å; F332-F344 HydrophobicContact CZ-CG 4.01Å; F332-F344 PolarHBondContact N-O 3.05Å; F332-F344 PolarHBondContact O-N 3.49Å; F332-G346 VanDerWaalsContact CZ-O 3.22Å; F332-G346 WeakPolarHBondContact CZ-O 3.19Å |
| 333 | L | 94.5 | Very high | 79.9 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 140.3 | 176.9 | -58.2 | 176 | 0 | 0 | 0 | 109.1 | L301 C302 Y304 L341 L342 V343 I362 M364 I391 | L301-L333 WeakPolarHBondContact CA-O 3.22Å; C302-L333 HydrophobicContact CB-CB 4.29Å; C302-L333 PolarHBondContact N-O 2.92Å; C302-L333 PolarHBondContact O-N 3.33Å; Y304-L333 HydrophobicContact CD1-CD1 4.45Å; Y304-L333 HydrophobicContact CD1-CD2 4.29Å; Y304-L333 HydrophobicContact CD1-CG 3.82Å; Y304-L333 HydrophobicContact CE1-CD2 3.83Å; Y304-L333 HydrophobicContact CE1-CG 3.86Å; L333-L341 HydrophobicContact CB-CD1 4.07Å; L333-L341 HydrophobicContact CD1-CD1 4.5Å; L333-L341 HydrophobicContact CD2-CD2 4.45Å; L333-L342 CarbonylContact C-O 3.57Å; L333-L342 WeakPolarHBondContact CA-O 3.22Å; L333-V343 HydrophobicContact CD2-CB 3.97Å; L333-V343 HydrophobicContact CD2-CG1 3.85Å; L333-V343 HydrophobicContact CD2-CG2 3.58Å; L333-I362 HydrophobicContact CB-CD1 3.6Å; L333-I362 HydrophobicContact CD1-CD1 4.31Å; L333-M364 HydrophobicContact CD1-SD 4.22Å; L333-I391 HydrophobicContact CD1-CD1 4.02Å; L333-I391 HydrophobicContact CD1-CG1 4.16Å; L333-I391 HydrophobicContact CD1-CG2 4.35Å |
| 334 | V | 94.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.2 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | L274 I279 I294 Q300 L301 F332 L342 F344 | L274-V334 HydrophobicContact CD1-CG1 3.97Å; L274-V334 HydrophobicContact CD1-CG2 4.16Å; L274-V334 HydrophobicContact CD2-CG1 4.11Å; I279-V334 HydrophobicContact CD1-CG2 3.88Å; I294-V334 HydrophobicContact CD1-CG1 4.1Å; Q300-V334 VanDerWaalsContact O-CA 3.31Å; Q300-V334 WeakPolarHBondContact O-CA 3.45Å; L301-V334 HydrophobicContact CD1-CG2 4.19Å; F332-V334 HydrophobicContact CD2-CG2 4.01Å; F332-V334 HydrophobicContact CE2-CG2 4.26Å; V334-L342 HydrophobicContact CB-CB 4.39Å; V334-L342 PolarHBondContact N-O 3.35Å; V334-L342 WeakPolarHBondContact O-CB 3.43Å; V334-L342 PolarHBondContact O-N 3.07Å; V334-F344 HydrophobicContact CB-CD2 4.49Å; V334-F344 HydrophobicContact CB-CE2 4.17Å; V334-F344 HydrophobicContact CG2-CD2 4.14Å; V334-F344 HydrophobicContact CG2-CE2 4.12Å |
| 335 | T | 93.8 | Very high | 84.8 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 146.6 | 168.7 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | S298 K299 Q300 Q340 L341 L355 I362 | S298-T335 CarbonylContact C-O 3.6Å; S298-T335 WeakPolarHBondContact CA-O 3.45Å; K299-T335 PolarHBondContact N-O 3.28Å; Q300-T335 WeakPolarHBondContact CB-OG1 3.43Å; Q300-T335 PolarHBondContact N-OG1 3.34Å; Q300-T335 PolarHBondContact O-N 3.36Å; T335-Q340 CarbonylContact C-O 3.56Å; T335-Q340 VanDerWaalsContact CA-O 3.31Å; T335-Q340 WeakPolarHBondContact CA-O 3.23Å; T335-L341 HydrophobicContact CG2-CD1 3.8Å; T335-L355 HydrophobicContact CG2-CD1 4.02Å; T335-I362 HydrophobicContact CG2-CD1 3.84Å; T335-I362 HydrophobicContact CG2-CG1 4.06Å; T335-I362 HydrophobicContact CG2-CG2 3.66Å |
| 336 | T | 92.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 164 | 178.1 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | I296 P297 K338 N339 Q340 L342 | I296-T336 HydrophobicContact CB-CG2 4.22Å; I296-T336 HydrophobicContact CG2-CG2 4.23Å; P297-T336 CarbonylContact O-C 3.6Å; P297-T336 WeakPolarHBondContact O-CA 2.93Å; P297-T336 WeakPolarHBondContact O-CB 3.26Å; T336-K338 PolarHBondContact O-N 3.33Å; T336-K338 PolarHBondContact OG1-N 2.84Å; T336-N339 PolarHBondContact O-N 3.39Å; T336-N339 VanDerWaalsContact O-N 3.14Å; T336-Q340 HydrophobicContact CG2-CB 4.5Å; T336-Q340 PolarHBondContact N-O 3.49Å; T336-Q340 WeakPolarHBondContact OG1-CB 3.4Å; T336-Q340 PolarHBondContact OG1-N 3.45Å; T336-L342 HydrophobicContact CG2-CD1 3.69Å; T336-L342 HydrophobicContact CG2-CG 4.12Å |
| 337 | E | 89.1 | Confident | 88.5 | Confident | 110 Ų | 110 | 32.7 Ų | 32.7 | 51% | 0.514 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.4 | 174.6 | -67.4 | -173.4 | 162.4 | 0 | 0 | 113.4 | P297 K299 N339 | P297-E337 HydrophobicContact CB-CG 3.92Å; P297-E337 PolarHBondContact O-N 3.09Å; K299-E337 HydrophobicContact CD-CG 4.31Å; K299-E337 HydrophobicContact CG-CG 3.88Å; E337-N339 PolarHBondContact O-N 3.31Å |
| 338 | K | 90 | Very high | 89.8 | Confident | 147 Ų | 147 | 36.5 Ų | 36.5 | 64% | 0.639 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 22.2 | 176 | -66.4 | -172.7 | 176.7 | -176.5 | 0 | 113.4 | I296 T336 Q340 | I296-K338 HydrophobicContact CD1-CD 4.13Å; I296-K338 HydrophobicContact CG1-CD 4.31Å; I296-K338 HydrophobicContact CG2-CB 4.01Å; I296-K338 HydrophobicContact CG2-CD 4Å; I296-K338 HydrophobicContact CG2-CG 3.76Å; T336-K338 PolarHBondContact O-N 3.33Å; T336-K338 PolarHBondContact OG1-N 2.84Å; K338-Q340 VanDerWaalsContact C-N 3.31Å; K338-Q340 PolarHBondContact O-N 2.84Å |
| 339 | N | 89.9 | Confident | 90.9 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 22% | 0.219 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 54.1 | 45.5 | 178.8 | -60.7 | -16.1 | 0 | 0 | 0 | 112.4 | T336 E337 L355 G358 | T336-N339 PolarHBondContact O-N 3.39Å; T336-N339 VanDerWaalsContact O-N 3.14Å; E337-N339 PolarHBondContact O-N 3.31Å; N339-L355 HydrophobicContact CB-CB 4.05Å; N339-L355 VanDerWaalsContact O-CB 3.32Å; N339-L355 WeakPolarHBondContact O-CB 3.31Å; N339-L355 PolarHBondContact O-N 3.37Å; N339-G358 PolarHBondContact ND2-N 2.65Å; N339-G358 WeakPolarHBondContact OD1-CA 3.25Å |
| 340 | Q | 92.2 | Very high | 91.6 | Very high | 57 Ų | 57 | 40 Ų | 40 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.9 | 170 | -60.9 | 178.6 | -21.9 | 0 | 0 | 109.5 | T335 T336 K338 A353 L354 | T335-Q340 CarbonylContact C-O 3.56Å; T335-Q340 VanDerWaalsContact CA-O 3.31Å; T335-Q340 WeakPolarHBondContact CA-O 3.23Å; T336-Q340 HydrophobicContact CG2-CB 4.5Å; T336-Q340 PolarHBondContact N-O 3.49Å; T336-Q340 WeakPolarHBondContact OG1-CB 3.4Å; T336-Q340 PolarHBondContact OG1-N 3.45Å; K338-Q340 VanDerWaalsContact C-N 3.31Å; K338-Q340 PolarHBondContact O-N 2.84Å; Q340-A353 CarbonylContact C-O 3.52Å; Q340-A353 WeakPolarHBondContact CA-O 3.19Å; Q340-L354 HydrophobicContact CG-CD1 4.44Å |
| 341 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.3 | 167.5 | -177.1 | 77.4 | 0 | 0 | 0 | 108.8 | I6 L333 T335 S352 A353 L355 I362 I391 L405 | I6-L341 HydrophobicContact CD1-CB 3.62Å; I6-L341 HydrophobicContact CD1-CD2 3.56Å; I6-L341 HydrophobicContact CD1-CG 4.17Å; I6-L341 HydrophobicContact CG1-CD2 4.31Å; L333-L341 HydrophobicContact CB-CD1 4.07Å; L333-L341 HydrophobicContact CD1-CD1 4.5Å; L333-L341 HydrophobicContact CD2-CD2 4.45Å; T335-L341 HydrophobicContact CG2-CD1 3.8Å; L341-S352 CarbonylContact O-C 3.56Å; L341-S352 VanDerWaalsContact O-CA 3.3Å; L341-S352 WeakPolarHBondContact O-CA 3.31Å; L341-A353 PolarHBondContact N-O 3.27Å; L341-A353 PolarHBondContact O-N 2.87Å; L341-L355 HydrophobicContact CB-CD1 4.19Å; L341-L355 HydrophobicContact CB-CG 4.35Å; L341-I362 HydrophobicContact CD1-CD1 3.8Å; L341-I391 HydrophobicContact CD2-CD1 3.6Å; L341-L405 HydrophobicContact CD2-CD2 3.87Å |
| 342 | L | 94.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.7 | 178.1 | -57.2 | 179.4 | 0 | 0 | 0 | 109.2 | I294 L333 V334 T336 F344 L349 S352 | I294-L342 HydrophobicContact CG2-CD1 4.1Å; L333-L342 CarbonylContact C-O 3.57Å; L333-L342 WeakPolarHBondContact CA-O 3.22Å; V334-L342 HydrophobicContact CB-CB 4.39Å; V334-L342 PolarHBondContact N-O 3.35Å; V334-L342 WeakPolarHBondContact O-CB 3.43Å; V334-L342 PolarHBondContact O-N 3.07Å; T336-L342 HydrophobicContact CG2-CD1 3.69Å; T336-L342 HydrophobicContact CG2-CG 4.12Å; L342-F344 HydrophobicContact CB-CD2 4.13Å; L342-F344 HydrophobicContact CB-CE2 3.49Å; L342-F344 VanDerWaalsContact CB-CE2 3.49Å; L342-F344 HydrophobicContact CB-CZ 4.23Å; L342-F344 HydrophobicContact CD1-CE2 4.06Å; L342-F344 HydrophobicContact CD1-CZ 4.22Å; L342-F344 HydrophobicContact CG-CE2 4.44Å; L342-L349 HydrophobicContact CB-CD1 3.69Å; L342-L349 HydrophobicContact CD2-CD1 4Å; L342-L349 HydrophobicContact CD2-CD2 4.48Å; L342-L349 HydrophobicContact CG-CD1 4.33Å; L342-S352 WeakPolarHBondContact CD2-OG 3.35Å |
| 343 | V | 94.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.4 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | Y304 L333 L350 W351 L405 | Y304-V343 HydrophobicContact CE1-CG1 4.35Å; Y304-V343 VanDerWaalsContact OH-CG1 3.29Å; Y304-V343 WeakPolarHBondContact OH-CG1 3.3Å; L333-V343 HydrophobicContact CD2-CB 3.97Å; L333-V343 HydrophobicContact CD2-CG1 3.85Å; L333-V343 HydrophobicContact CD2-CG2 3.58Å; V343-L350 HydrophobicContact CG1-CB 4.47Å; V343-L350 PolarHBondContact O-N 3.42Å; V343-W351 HydrophobicContact CB-CB 3.85Å; V343-W351 HydrophobicContact CG2-CB 3.75Å; V343-W351 PolarHBondContact N-O 3.16Å; V343-W351 PolarHBondContact O-N 2.94Å; V343-L405 HydrophobicContact CG2-CD1 4Å |
| 344 | F | 92.8 | Very high | 92 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 147.3 | -178 | -73 | -87.9 | 0 | 0 | 0 | 112.7 | I279 R292 R331 F332 V334 L342 Q348 L349 | I279-F344 HydrophobicContact CD1-CD2 4.1Å; I279-F344 HydrophobicContact CD1-CE1 4.3Å; I279-F344 HydrophobicContact CD1-CE2 3.74Å; I279-F344 HydrophobicContact CD1-CZ 3.86Å; R292-F344 HydrophobicContact CG-CE1 4.33Å; R331-F344 WeakPolarHBondContact CA-O 3.38Å; F332-F344 HydrophobicContact CD2-CB 3.69Å; F332-F344 HydrophobicContact CD2-CD2 4.04Å; F332-F344 HydrophobicContact CD2-CG 4.17Å; F332-F344 HydrophobicContact CE1-CB 4.2Å; F332-F344 HydrophobicContact CE2-CB 3.24Å; F332-F344 HydrophobicContact CE2-CD1 4.32Å; F332-F344 AromaticContact CE2-CD2 3.59Å; F332-F344 HydrophobicContact CE2-CD2 3.59Å; F332-F344 HydrophobicContact CE2-CE2 4.5Å; F332-F344 AromaticContact CE2-CG 3.48Å; F332-F344 HydrophobicContact CE2-CG 3.48Å; F332-F344 VanDerWaalsContact CE2-CG 3.48Å; F332-F344 HydrophobicContact CG-CB 4.32Å; F332-F344 HydrophobicContact CZ-CB 3.54Å; F332-F344 HydrophobicContact CZ-CG 4.01Å; F332-F344 PolarHBondContact N-O 3.05Å; F332-F344 PolarHBondContact O-N 3.49Å; V334-F344 HydrophobicContact CB-CD2 4.49Å; V334-F344 HydrophobicContact CB-CE2 4.17Å; V334-F344 HydrophobicContact CG2-CD2 4.14Å; V334-F344 HydrophobicContact CG2-CE2 4.12Å; L342-F344 HydrophobicContact CB-CD2 4.13Å; L342-F344 HydrophobicContact CB-CE2 3.49Å; L342-F344 VanDerWaalsContact CB-CE2 3.49Å; L342-F344 HydrophobicContact CB-CZ 4.23Å; L342-F344 HydrophobicContact CD1-CE2 4.06Å; L342-F344 HydrophobicContact CD1-CZ 4.22Å; L342-F344 HydrophobicContact CG-CE2 4.44Å; F344-Q348 WeakPolarHBondContact CA-O 3.43Å; F344-L349 HydrophobicContact CD1-CB 4.27Å; F344-L349 HydrophobicContact CD1-CD1 4.36Å; F344-L349 HydrophobicContact CD2-CD1 4.35Å; F344-L349 HydrophobicContact CE1-CB 3.95Å; F344-L349 HydrophobicContact CE1-CD1 4Å; F344-L349 HydrophobicContact CE2-CD1 4.01Å; F344-L349 HydrophobicContact CZ-CD1 3.81Å |
| 345 | K | 89.7 | Confident | 91.7 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 24% | 0.235 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 99.6 | 161.3 | 172 | 177.3 | 168.3 | 170.5 | 0 | 107.2 | S307 V329 P330 R331 A347 Q348 L350 | S307-K345 VanDerWaalsContact CB-CE 3.49Å; S307-K345 WeakPolarHBondContact OG-CE 3.34Å; S307-K345 PolarHBondContact OG-NZ 3.4Å; V329-K345 HydrophobicContact CB-CG 4.34Å; V329-K345 HydrophobicContact CG1-CG 3.88Å; P330-K345 CarbonylContact O-C 3.59Å; P330-K345 WeakPolarHBondContact O-CA 3.19Å; R331-K345 HydrophobicContact CG-CB 4.45Å; K345-A347 PolarHBondContact O-N 3.25Å; K345-Q348 PolarHBondContact N-O 2.79Å; K345-Q348 WeakPolarHBondContact O-CB 3.27Å; K345-Q348 PolarHBondContact O-N 3.27Å; K345-Q348 VanDerWaalsContact O-N 3.13Å; K345-L350 HydrophobicContact CB-CD1 3.5Å; K345-L350 VanDerWaalsContact CB-CD1 3.5Å; K345-L350 HydrophobicContact CB-CD2 4.09Å; K345-L350 HydrophobicContact CB-CG 3.75Å; K345-L350 HydrophobicContact CD-CD1 4.34Å |
| 346 | G | 86.3 | Confident | 90.9 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -129.1 | -171 | 0 | 0 | 0 | 0 | 0 | 110.2 | F290 P330 F332 Q348 | F290-G346 WeakPolarHBondContact CZ-O 3.48Å; P330-G346 PolarHBondContact O-N 2.9Å; F332-G346 VanDerWaalsContact CZ-O 3.22Å; F332-G346 WeakPolarHBondContact CZ-O 3.19Å; G346-Q348 VanDerWaalsContact C-N 3.31Å |
| 347 | A | 87.2 | Confident | 90.1 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F290 K345 | F290-A347 HydrophobicContact CD2-CB 3.89Å; F290-A347 HydrophobicContact CE2-CB 3.99Å; F290-A347 HydrophobicContact CG-CB 4.26Å; F290-A347 HydrophobicContact CZ-CB 4.38Å; K345-A347 PolarHBondContact O-N 3.25Å |
| 348 | Q | 90.6 | Very high | 89.6 | Confident | 122 Ų | 122 | 47.7 Ų | 47.7 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.4 | -176.3 | -175 | 180 | -0.1 | 0 | 0 | 110.8 | F344 K345 G346 L350 | F344-Q348 WeakPolarHBondContact CA-O 3.43Å; K345-Q348 PolarHBondContact N-O 2.79Å; K345-Q348 WeakPolarHBondContact O-CB 3.27Å; K345-Q348 PolarHBondContact O-N 3.27Å; K345-Q348 VanDerWaalsContact O-N 3.13Å; G346-Q348 VanDerWaalsContact C-N 3.31Å; Q348-L350 HydrophobicContact CG-CD2 4.37Å; Q348-L350 PolarHBondContact O-N 3.08Å |
| 349 | L | 92.9 | Very high | 89.3 | Confident | 74 Ų | 74 | 41.3 Ų | 41.3 | 39% | 0.387 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 120.1 | 167.5 | -177.4 | 71.1 | 0 | 0 | 0 | 108.8 | L342 F344 W351 | L342-L349 HydrophobicContact CB-CD1 3.69Å; L342-L349 HydrophobicContact CD2-CD1 4Å; L342-L349 HydrophobicContact CD2-CD2 4.48Å; L342-L349 HydrophobicContact CG-CD1 4.33Å; F344-L349 HydrophobicContact CD1-CB 4.27Å; F344-L349 HydrophobicContact CD1-CD1 4.36Å; F344-L349 HydrophobicContact CD2-CD1 4.35Å; F344-L349 HydrophobicContact CE1-CB 3.95Å; F344-L349 HydrophobicContact CE1-CD1 4Å; F344-L349 HydrophobicContact CE2-CD1 4.01Å; F344-L349 HydrophobicContact CZ-CD1 3.81Å; L349-W351 WeakPolarHBondContact CD1-O 3.29Å |
| 350 | L | 92.9 | Very high | 89 | Confident | 79 Ų | 79 | 42.5 Ų | 42.5 | 41% | 0.414 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -40.2 | 177.6 | -66.8 | -174.4 | 0 | 0 | 0 | 112.6 | V343 K345 Q348 | V343-L350 HydrophobicContact CG1-CB 4.47Å; V343-L350 PolarHBondContact O-N 3.42Å; K345-L350 HydrophobicContact CB-CD1 3.5Å; K345-L350 VanDerWaalsContact CB-CD1 3.5Å; K345-L350 HydrophobicContact CB-CD2 4.09Å; K345-L350 HydrophobicContact CB-CG 3.75Å; K345-L350 HydrophobicContact CD-CD1 4.34Å; Q348-L350 HydrophobicContact CG-CD2 4.37Å; Q348-L350 PolarHBondContact O-N 3.08Å |
| 351 | W | 94.1 | Very high | 88.8 | Confident | 65 Ų | 65 | 44.9 Ų | 44.9 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 153.2 | -175.4 | -158.8 | -101.1 | 0 | 0 | 0 | 110.8 | L3 F4 V343 L349 L405 T407 | L3-W351 HydrophobicContact CD1-CH2 3.91Å; L3-W351 HydrophobicContact CD1-CZ2 4.01Å; F4-W351 HydrophobicContact CD1-CD2 4.33Å; F4-W351 AromaticContact CD1-CE2 3.72Å; F4-W351 HydrophobicContact CD1-CH2 4.18Å; F4-W351 AromaticContact CD1-CZ2 3.65Å; F4-W351 HydrophobicContact CD1-CZ2 3.65Å; F4-W351 HydrophobicContact CE1-CD2 4.25Å; F4-W351 AromaticContact CE1-CE2 3.94Å; F4-W351 HydrophobicContact CE1-CE3 4.26Å; F4-W351 AromaticContact CE1-CH2 3.69Å; F4-W351 HydrophobicContact CE1-CH2 3.69Å; F4-W351 AromaticContact CE1-CZ2 3.66Å; F4-W351 HydrophobicContact CE1-CZ2 3.66Å; F4-W351 AromaticContact CE1-CZ3 4Å; F4-W351 HydrophobicContact CE1-CZ3 4Å; F4-W351 HydrophobicContact CZ-CH2 4.48Å; V343-W351 HydrophobicContact CB-CB 3.85Å; V343-W351 HydrophobicContact CG2-CB 3.75Å; V343-W351 PolarHBondContact N-O 3.16Å; V343-W351 PolarHBondContact O-N 2.94Å; L349-W351 WeakPolarHBondContact CD1-O 3.29Å; W351-L405 HydrophobicContact CG-CD1 4.37Å; W351-T407 HydrophobicContact CH2-CG2 4.34Å; W351-T407 HydrophobicContact CZ2-CG2 4.16Å |
| 352 | S | 93.8 | Very high | 88.7 | Confident | 35 Ų | 35 | 45 Ų | 45 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 133.5 | 170.9 | -178 | 0 | 0 | 0 | 0 | 108.2 | F4 L341 L342 | F4-S352 WeakPolarHBondContact CB-O 3.08Å; F4-S352 VanDerWaalsContact CD1-O 3.3Å; F4-S352 WeakPolarHBondContact CD1-O 3.08Å; L341-S352 CarbonylContact O-C 3.56Å; L341-S352 VanDerWaalsContact O-CA 3.3Å; L341-S352 WeakPolarHBondContact O-CA 3.31Å; L342-S352 WeakPolarHBondContact CD2-OG 3.35Å |
| 353 | A | 93.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 140.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F4 I6 Q340 L341 L405 | F4-A353 CarbonylContact O-C 3.56Å; F4-A353 VanDerWaalsContact O-CA 3.28Å; F4-A353 WeakPolarHBondContact O-CA 3.12Å; I6-A353 HydrophobicContact CD1-CB 4.24Å; I6-A353 HydrophobicContact CG1-CB 3.81Å; Q340-A353 CarbonylContact C-O 3.52Å; Q340-A353 WeakPolarHBondContact CA-O 3.19Å; L341-A353 PolarHBondContact N-O 3.27Å; L341-A353 PolarHBondContact O-N 2.87Å; A353-L405 HydrophobicContact CB-CD2 4.02Å |
| 354 | L | 92 | Very high | 88.5 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 130.8 | 175.5 | -168.3 | 73.1 | 0 | 0 | 0 | 110.2 | F4 I6 Q340 | F4-L354 PolarHBondContact O-N 2.88Å; I6-L354 PolarHBondContact N-O 3.26Å; I6-L354 VanDerWaalsContact N-O 3.14Å; Q340-L354 HydrophobicContact CG-CD1 4.44Å |
| 355 | L | 87.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | trans | -90.2 | 134.1 | 168.2 | -67.9 | 153 | 0 | 0 | 0 | 108.4 | I6 T335 N339 L341 V359 V393 | I6-L355 HydrophobicContact CB-CD2 4.5Å; I6-L355 HydrophobicContact CD1-CD2 3.19Å; I6-L355 HydrophobicContact CD1-CG 3.66Å; I6-L355 HydrophobicContact CG1-CD2 4.41Å; T335-L355 HydrophobicContact CG2-CD1 4.02Å; N339-L355 HydrophobicContact CB-CB 4.05Å; N339-L355 VanDerWaalsContact O-CB 3.32Å; N339-L355 WeakPolarHBondContact O-CB 3.31Å; N339-L355 PolarHBondContact O-N 3.37Å; L341-L355 HydrophobicContact CB-CD1 4.19Å; L341-L355 HydrophobicContact CB-CG 4.35Å; L355-V359 HydrophobicContact CB-CG2 4.16Å; L355-V359 HydrophobicContact CD1-CB 4.38Å; L355-V359 HydrophobicContact CD1-CG2 3.63Å; L355-V359 HydrophobicContact CD2-CG2 3.73Å; L355-V359 HydrophobicContact CG-CG2 4.04Å; L355-V393 HydrophobicContact CD2-CG1 4.19Å; L355-V393 HydrophobicContact CD2-CG2 4.46Å | ||
| 356 | S | 77.4 | Confident | 87.7 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 59% | 0.587 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -69.1 | -38 | -175.9 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 357 | I | 76 | Confident | 86.9 | Confident | 59 Ų | 59 | 48.3 Ų | 48.3 | 30% | 0.303 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -129.7 | 156.6 | -172.9 | -61.3 | 164.3 | 0 | 0 | 0 | 108.2 | V359 H395 | I357-V359 PolarHBondContact O-N 3.35Å; I357-H395 HydrophobicContact CB-CB 4.5Å; I357-H395 HydrophobicContact CG2-CB 4.09Å |
| 358 | G | 79.3 | Confident | 85.7 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | trans | -56.6 | 129 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N339 H395 R396 | N339-G358 PolarHBondContact ND2-N 2.65Å; N339-G358 WeakPolarHBondContact OD1-CA 3.25Å; G358-H395 CarbonylContact O-C 3.58Å; G358-H395 WeakPolarHBondContact O-CA 3.33Å; G358-R396 WeakPolarHBondContact O-CB 3.49Å; G358-R396 PolarHBondContact O-N 2.97Å | ||
| 359 | V | 84 | Confident | 83.8 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 140.4 | -178.2 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | L355 I357 I362 V393 | L355-V359 HydrophobicContact CB-CG2 4.16Å; L355-V359 HydrophobicContact CD1-CB 4.38Å; L355-V359 HydrophobicContact CD1-CG2 3.63Å; L355-V359 HydrophobicContact CD2-CG2 3.73Å; L355-V359 HydrophobicContact CG-CG2 4.04Å; I357-V359 PolarHBondContact O-N 3.35Å; V359-I362 HydrophobicContact CG1-CG2 3.75Å; V359-V393 HydrophobicContact CB-CG1 4.25Å; V359-V393 HydrophobicContact CG1-CG1 3.76Å; V359-V393 HydrophobicContact CG2-CG1 3.45Å; V359-V393 VanDerWaalsContact CG2-CG1 3.45Å |
| 360 | I | 82.4 | Confident | 81.7 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 34% | 0.338 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -52.6 | 172.7 | -63.2 | 179.9 | 0 | 0 | 0 | 110.4 | F23 Q300 L394 R396 | F23-I360 HydrophobicContact CD2-CD1 3.59Å; F23-I360 HydrophobicContact CE2-CD1 4.19Å; Q300-I360 PolarHBondContact OE1-O 3.22Å; I360-L394 HydrophobicContact CB-CD2 4.31Å; I360-L394 HydrophobicContact CB-CG 4.29Å; I360-L394 HydrophobicContact CG2-CD2 4.26Å; I360-L394 PolarHBondContact N-O 2.84Å; I360-R396 HydrophobicContact CD1-CB 4.37Å; I360-R396 HydrophobicContact CD1-CG 4.44Å; I360-R396 HydrophobicContact CG1-CB 4.26Å |
| 361 | R | 88.5 | Confident | 79.3 | Confident | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.7 | -177 | -160.6 | 82.2 | -179.2 | 167.7 | 0.2 | 111.2 | L25 L394 | L25-R361 HydrophobicContact CB-CB 4.25Å; L25-R361 HydrophobicContact CB-CG 4.16Å; L25-R361 HydrophobicContact CD2-CB 4.21Å; L25-R361 HydrophobicContact CD2-CG 4.15Å; R361-L394 HydrophobicContact CB-CB 4.17Å; R361-L394 HydrophobicContact CB-CD2 4.26Å; R361-L394 PolarHBondContact N-O 2.91Å; R361-L394 PolarHBondContact O-N 3.06Å |
| 362 | I | 92.4 | Very high | 76.6 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144 | 162.6 | 58.3 | 159.3 | 0 | 0 | 0 | 109.7 | Q300 C302 L333 T335 L341 V359 I391 V392 V393 | Q300-I362 VanDerWaalsContact CD-N 3.25Å; Q300-I362 VanDerWaalsContact NE2-N 3.11Å; Q300-I362 PolarHBondContact NE2-O 3.03Å; C302-I362 HydrophobicContact CB-CD1 3.63Å; C302-I362 HydrophobicContact CB-CG1 3.86Å; L333-I362 HydrophobicContact CB-CD1 3.6Å; L333-I362 HydrophobicContact CD1-CD1 4.31Å; T335-I362 HydrophobicContact CG2-CD1 3.84Å; T335-I362 HydrophobicContact CG2-CG1 4.06Å; T335-I362 HydrophobicContact CG2-CG2 3.66Å; L341-I362 HydrophobicContact CD1-CD1 3.8Å; V359-I362 HydrophobicContact CG1-CG2 3.75Å; I362-I391 HydrophobicContact CB-CG2 4.45Å; I362-V392 CarbonylContact C-O 3.51Å; I362-V392 VanDerWaalsContact CA-O 3.27Å; I362-V392 WeakPolarHBondContact CA-O 3.2Å; I362-V393 HydrophobicContact CG2-CG1 4.46Å; I362-V393 HydrophobicContact CG2-CG2 4.29Å |
| 363 | S | 92.6 | Very high | 73.9 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 16% | 0.161 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 149.8 | 173.5 | -165.8 | 0 | 0 | 0 | 0 | 110.4 | L27 V392 | L27-S363 VanDerWaalsContact CD1-OG 3.32Å; L27-S363 WeakPolarHBondContact CD1-OG 3.5Å; L27-S363 WeakPolarHBondContact CG-OG 3.45Å; S363-V392 PolarHBondContact N-O 3.18Å; S363-V392 PolarHBondContact O-N 3.12Å |
| 364 | M | 91.3 | Very high | 71.1 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | trans | -149.4 | 140.9 | -179.4 | -172 | 177.6 | -166.5 | 0 | 0 | 107.7 | C302 Y304 L333 F367 G389 | C302-M364 PolarHBondContact SG-N 3.1Å; C302-M364 VanDerWaalsContact SG-N 3.42Å; Y304-M364 VanDerWaalsContact CB-SD 3.53Å; Y304-M364 HydrophobicContact CD1-SD 4.23Å; Y304-M364 HydrophobicContact CD2-CE 4.42Å; Y304-M364 HydrophobicContact CD2-SD 4.05Å; Y304-M364 HydrophobicContact CG-SD 3.69Å; L333-M364 HydrophobicContact CD1-SD 4.22Å; M364-F367 HydrophobicContact CE-CD2 4.24Å; M364-F367 HydrophobicContact CE-CE2 3.54Å; M364-F367 HydrophobicContact CE-CZ 4.38Å; M364-F367 HydrophobicContact CG-CE2 4.05Å; M364-F367 HydrophobicContact SD-CE2 4.31Å; M364-G389 VanDerWaalsContact CE-C 3.49Å; M364-G389 VanDerWaalsContact CE-O 3.24Å; M364-G389 WeakPolarHBondContact CE-O 3.4Å | ||
| 365 | P | 86.4 | Confident | 68.3 | Low | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.019 | 36% | 0.355 | C | S | . | . | trans | -57.7 | 142.4 | 169.1 | -24.2 | 33.9 | 0 | 0 | 0 | 111.2 | Y38 F367 P380 I382 | Y38-P365 HydrophobicContact CD1-CB 4.44Å; Y38-P365 HydrophobicContact CD1-CG 4.25Å; Y38-P365 HydrophobicContact CD2-CB 4.06Å; Y38-P365 HydrophobicContact CD2-CG 3.98Å; Y38-P365 HydrophobicContact CE1-CB 4.22Å; Y38-P365 HydrophobicContact CE2-CB 3.88Å; Y38-P365 HydrophobicContact CE2-CG 4.32Å; Y38-P365 HydrophobicContact CG-CB 4.35Å; Y38-P365 HydrophobicContact CG-CG 3.95Å; P365-F367 WeakPolarHBondContact O-CD2 3.02Å; P365-F367 WeakPolarHBondContact O-CE2 3.48Å; P365-P380 HydrophobicContact CB-CB 3.7Å; P365-P380 HydrophobicContact CB-CG 3.88Å; P365-P380 HydrophobicContact CG-CB 4.49Å; P365-I382 HydrophobicContact CG-CD1 4.09Å; P365-I382 HydrophobicContact CG-CG1 3.73Å | ||
| 366 | I | 79.4 | Confident | 66.2 | Low | 78 Ų | 78 | 75.3 Ų | 75.3 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | trans | -77.8 | 131.4 | 177.6 | -62.6 | 173.2 | 0 | 0 | 0 | 109.2 | T368 | I366-T368 HydrophobicContact CG2-CG2 4.42Š| ||
| 367 | F | 70.9 | Confident | 65.2 | Low | 28 Ų | 28 | 78.5 Ų | 78.5 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -104.8 | 109.5 | 177.4 | -62.8 | -85.6 | 0 | 0 | 0 | 110.4 | Y304 G305 M364 P365 L379 P380 | Y304-F367 HydrophobicContact CD2-CD2 4.47Å; Y304-F367 PolarHBondContact O-N 2.7Å; G305-F367 VanDerWaalsContact CA-O 3.23Å; G305-F367 WeakPolarHBondContact CA-O 3.43Å; M364-F367 HydrophobicContact CE-CD2 4.24Å; M364-F367 HydrophobicContact CE-CE2 3.54Å; M364-F367 HydrophobicContact CE-CZ 4.38Å; M364-F367 HydrophobicContact CG-CE2 4.05Å; M364-F367 HydrophobicContact SD-CE2 4.31Å; P365-F367 WeakPolarHBondContact O-CD2 3.02Å; P365-F367 WeakPolarHBondContact O-CE2 3.48Å; F367-L379 HydrophobicContact CD1-CD2 3.78Å; F367-L379 HydrophobicContact CE1-CB 4.21Å; F367-L379 HydrophobicContact CE1-CD2 4.26Å; F367-P380 HydrophobicContact CD1-CG 3.67Å; F367-P380 VanDerWaalsContact CE1-CD 3.5Å; F367-P380 HydrophobicContact CE1-CG 3.46Å; F367-P380 VanDerWaalsContact CE1-CG 3.46Å; F367-P380 WeakPolarHBondContact CE1-O 3.36Å; F367-P380 HydrophobicContact CG-CG 4.38Å; F367-P380 HydrophobicContact CZ-CG 4.02Å; F367-P380 WeakPolarHBondContact CZ-O 3.45Å |
| 368 | T | 61 | Low | 64.8 | Low | 37 Ų | 37 | 80.4 Ų | 80.4 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | trans | -95.6 | 106.1 | 168.2 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | E259 Y306 I366 E370 | E259-T368 HydrophobicContact CG-CG2 4.28Å; E259-T368 PolarHBondContact OE2-OG1 3.18Å; Y306-T368 HydrophobicContact CD1-CG2 4.45Å; Y306-T368 HydrophobicContact CE1-CG2 3.69Å; I366-T368 HydrophobicContact CG2-CG2 4.42Å; T368-E370 PolarHBondContact O-N 3.46Å | ||
| 369 | M | 50.9 | Low | 64.7 | Low | 121 Ų | 121 | 83.9 Ų | 83.9 | 60% | 0.596 | 43% | 0.426 | S | S | * | . | trans | -83.6 | 84.8 | 171.9 | -78.9 | -138.2 | 75.7 | 0 | 0 | 109.2 | Y306 L371 | Y306-M369 HydrophobicContact CE2-CB 4.47Å; Y306-M369 VanDerWaalsContact CE2-O 3.29Å; Y306-M369 WeakPolarHBondContact CE2-O 3.21Å; Y306-M369 VanDerWaalsContact OH-C 3.31Å; Y306-M369 PolarHBondContact OH-N 2.87Å; Y306-M369 PolarHBondContact OH-O 2.86Å; M369-L371 PolarHBondContact O-N 2.89Å | ||
| 370 | E | 50 | Low | 64.7 | Low | 74 Ų | 74 | 84.2 Ų | 84.2 | 35% | 0.346 | 43% | 0.428 | S | S | . | . | trans | -66.5 | 123.4 | 169.9 | -72.9 | -179.3 | 136.8 | 0 | 0 | 110 | Y306 T368 S372 K377 | Y306-E370 PolarHBondContact OH-N 2.79Å; T368-E370 PolarHBondContact O-N 3.46Å; E370-S372 PolarHBondContact O-N 2.81Å; E370-K377 IonicContact OE2-NZ 3.82Å; E370-K377 PolarHBondContact OE2-NZ 2.87Å | ||
| 371 | L | 41.4 | Very low | 64.9 | Low | 118 Ų | 118 | 83.4 Ų | 83.4 | 62% | 0.618 | 42% | 0.422 | S | S | * | . | trans | -69.4 | 77.3 | 162 | -75.6 | 136 | 0 | 0 | 0 | 108.6 | E308 W328 M369 | E308-L371 VanDerWaalsContact CD-CD1 3.49Å; E308-L371 HydrophobicContact CG-CD1 4.38Å; E308-L371 VanDerWaalsContact OE2-CD1 3.32Å; E308-L371 WeakPolarHBondContact OE2-CD1 3.35Å; W328-L371 HydrophobicContact CH2-CD1 3.45Å; W328-L371 VanDerWaalsContact CH2-CD1 3.45Å; W328-L371 HydrophobicContact CH2-CG 4.49Å; W328-L371 HydrophobicContact CZ2-CD1 3.77Å; M369-L371 PolarHBondContact O-N 2.89Å | ||
| 372 | S | 38.3 | Very low | 65 | Low | 64 Ų | 64 | 78.4 Ų | 78.4 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | trans | -135.1 | 129.6 | 154.9 | 74.3 | 0 | 0 | 0 | 0 | 108.5 | E370 H374 | E370-S372 PolarHBondContact O-N 2.81Å; S372-H374 PolarHBondContact O-N 2.75Å | ||
| 373 | N | 36.1 | Very low | 64.6 | Low | 166 Ų | 166 | 78.3 Ų | 78.3 | 89% | 0.888 | 40% | 0.403 | S | S | * | . | trans | -65.9 | 33.9 | 177.2 | -75.3 | -29.5 | 0 | 0 | 0 | 112.8 | ||||
| 374 | H | 34.9 | Very low | 64.2 | Low | 156 Ų | 156 | 78.5 Ų | 78.5 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | trans | -95.2 | 105.6 | 175.1 | -75.6 | -61 | 0 | 0 | 0 | 109.7 | S372 | S372-H374 PolarHBondContact O-N 2.75Š| ||
| 375 | Y | 33.8 | Very low | 63.7 | Low | 222 Ų | 222 | 83.1 Ų | 83.1 | 87% | 0.871 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.1 | 134.4 | 165.4 | -70.5 | -94.8 | 0 | 0 | 0 | 112.7 | ||
| 376 | S | 42.6 | Very low | 63.6 | Low | 119 Ų | 119 | 83.7 Ų | 83.7 | 83% | 0.832 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | 24.3 | 157.1 | 79.9 | 0 | 0 | 0 | 0 | 121.5 | T378 | S376-T378 PolarHBondContact O-N 2.92Š|
| 377 | K | 57.6 | Low | 63.9 | Low | 152 Ų | 152 | 83.8 Ų | 83.8 | 66% | 0.661 | 44% | 0.435 | S | S | * | . | trans | -82.2 | 108.5 | 166 | -134.6 | 177 | -173 | -173.7 | 0 | 109.9 | E370 L379 | E370-K377 IonicContact OE2-NZ 3.82Å; E370-K377 PolarHBondContact OE2-NZ 2.87Å; K377-L379 PolarHBondContact O-N 3.08Å | ||
| 378 | T | 67.5 | Low | 64.6 | Low | 99 Ų | 99 | 84.8 Ų | 84.8 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 126.2 | 176.4 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | S376 | S376-T378 PolarHBondContact O-N 2.92Š|
| 379 | L | 77.6 | Confident | 65.8 | Low | 90 Ų | 90 | 84.6 Ų | 84.6 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 144.3 | 175.1 | -70.8 | 160.2 | 0 | 0 | 0 | 110.4 | F367 K377 F381 | F367-L379 HydrophobicContact CD1-CD2 3.78Å; F367-L379 HydrophobicContact CE1-CB 4.21Å; F367-L379 HydrophobicContact CE1-CD2 4.26Å; K377-L379 PolarHBondContact O-N 3.08Å; L379-F381 WeakPolarHBondContact O-CD1 3.1Å; L379-F381 PolarHBondContact O-N 2.87Å |
| 380 | P | 84 | Confident | 67.8 | Low | 20 Ų | 20 | 79.2 Ų | 79.2 | 13% | 0.13 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 137.4 | 178.2 | 26.7 | -33.6 | 0 | 0 | 0 | 111.3 | S36 Y38 P365 F367 S388 | S36-P380 CarbonylContact O-C 3.59Å; S36-P380 VanDerWaalsContact O-CA 3.27Å; S36-P380 WeakPolarHBondContact O-CA 3.38Å; Y38-P380 HydrophobicContact CD2-CB 4.05Å; Y38-P380 HydrophobicContact CE2-CB 3.56Å; P365-P380 HydrophobicContact CB-CB 3.7Å; P365-P380 HydrophobicContact CB-CG 3.88Å; P365-P380 HydrophobicContact CG-CB 4.49Å; F367-P380 HydrophobicContact CD1-CG 3.67Å; F367-P380 VanDerWaalsContact CE1-CD 3.5Å; F367-P380 HydrophobicContact CE1-CG 3.46Å; F367-P380 VanDerWaalsContact CE1-CG 3.46Å; F367-P380 WeakPolarHBondContact CE1-O 3.36Å; F367-P380 HydrophobicContact CG-CG 4.38Å; F367-P380 HydrophobicContact CZ-CG 4.02Å; F367-P380 WeakPolarHBondContact CZ-O 3.45Å; P380-S388 VanDerWaalsContact O-CB 3.29Å; P380-S388 WeakPolarHBondContact O-CB 3.25Å |
| 381 | F | 86.6 | Confident | 69.9 | Low | 49 Ų | 49 | 76 Ų | 76 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 161 | 179.8 | 60.6 | -91.5 | 0 | 0 | 0 | 110.1 | S36 Q37 Y38 L379 G383 | S36-F381 PolarHBondContact O-N 2.99Å; S36-F381 VanDerWaalsContact O-O 3.12Å; Q37-F381 HydrophobicContact CB-CE2 4.02Å; Q37-F381 HydrophobicContact CB-CZ 4.03Å; Q37-F381 HydrophobicContact CG-CE2 3.92Å; Q37-F381 HydrophobicContact CG-CZ 4.39Å; Y38-F381 PolarHBondContact N-O 2.93Å; L379-F381 WeakPolarHBondContact O-CD1 3.1Å; L379-F381 PolarHBondContact O-N 2.87Å; F381-G383 WeakPolarHBondContact CD2-O 3.33Å; F381-G383 VanDerWaalsContact CE2-O 3.23Å; F381-G383 WeakPolarHBondContact CE2-O 2.62Å |
| 382 | I | 88.9 | Confident | 72.3 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.6 | -176.2 | -51.2 | 174.5 | 0 | 0 | 0 | 107.8 | L27 I40 P365 F386 V392 L402 | L27-I382 HydrophobicContact CD1-CD1 4.03Å; I40-I382 HydrophobicContact CD1-CG2 3.91Å; I40-I382 HydrophobicContact CG1-CG2 3.73Å; P365-I382 HydrophobicContact CG-CD1 4.09Å; P365-I382 HydrophobicContact CG-CG1 3.73Å; I382-F386 WeakPolarHBondContact O-CB 3.36Å; I382-F386 WeakPolarHBondContact O-CD2 3.34Å; I382-V392 HydrophobicContact CD1-CG2 3.43Å; I382-V392 VanDerWaalsContact CD1-CG2 3.43Å; I382-V392 HydrophobicContact CG2-CG2 4.34Å; I382-L402 HydrophobicContact CB-CD2 4.29Å; I382-L402 HydrophobicContact CD1-CD2 4.07Å; I382-L402 HydrophobicContact CG2-CD2 3.93Å |
| 383 | G | 85.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 76.5 | -148.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q37 Y38 P54 F381 | Q37-G383 WeakPolarHBondContact CG-O 3.46Å; Y38-G383 PolarHBondContact O-N 2.94Å; Y38-G383 VanDerWaalsContact O-N 3.1Å; P54-G383 CarbonylContact O-C 3.52Å; P54-G383 WeakPolarHBondContact O-CA 3.49Å; F381-G383 WeakPolarHBondContact CD2-O 3.33Å; F381-G383 VanDerWaalsContact CE2-O 3.23Å; F381-G383 WeakPolarHBondContact CE2-O 2.62Å |
| 384 | L | 82.8 | Confident | 77.5 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 136.4 | 179 | -70.2 | 167.8 | 0 | 0 | 0 | 110 | Q37 L53 P54 R55 A56 F386 | Q37-L384 VanDerWaalsContact NE2-CD2 3.26Å; L53-L384 HydrophobicContact CD2-CD1 3.79Å; L53-L384 HydrophobicContact CD2-CG 4.01Å; L53-L384 HydrophobicContact CG-CD1 4.32Å; L53-L384 HydrophobicContact CG-CG 4.19Å; P54-L384 PolarHBondContact O-N 3.44Å; R55-L384 HydrophobicContact CG-CB 4.24Å; R55-L384 HydrophobicContact CG-CD1 4.02Å; A56-L384 PolarHBondContact N-O 2.74Å; L384-F386 WeakPolarHBondContact O-CD2 3.29Å; L384-F386 PolarHBondContact O-N 3.38Å; L384-F386 VanDerWaalsContact O-N 3.15Å |
| 385 | N | 81.3 | Confident | 80.1 | Confident | 120 Ų | 120 | 52.1 Ų | 52.1 | 64% | 0.642 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 60.6 | 16.9 | 175.9 | -59.7 | -12.8 | 0 | 0 | 0 | 115.9 | A56 | A56-N385 HydrophobicContact CB-CB 4Å; A56-N385 WeakPolarHBondContact CB-O 3.37Å |
| 386 | F | 84.8 | Confident | 82.4 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 149.4 | 170.9 | -76.8 | -72 | 0 | 0 | 0 | 112 | I9 W10 P54 R55 A56 I382 L384 L390 L402 | I9-F386 HydrophobicContact CD1-CD1 4.18Å; I9-F386 HydrophobicContact CD1-CE1 4.06Å; I9-F386 HydrophobicContact CG1-CE1 4.09Å; I9-F386 HydrophobicContact CG2-CD1 4.22Å; I9-F386 HydrophobicContact CG2-CE1 3.84Å; W10-F386 HydrophobicContact CB-CE1 4.5Å; W10-F386 HydrophobicContact CB-CZ 4.01Å; P54-F386 HydrophobicContact CB-CE2 3.92Å; P54-F386 HydrophobicContact CG-CE2 4.26Å; P54-F386 WeakPolarHBondContact O-CE2 3.27Å; R55-F386 VanDerWaalsContact C-CE2 3.48Å; A56-F386 HydrophobicContact CB-CD1 3.95Å; A56-F386 HydrophobicContact CB-CD2 4.25Å; A56-F386 HydrophobicContact CB-CE1 3.84Å; A56-F386 HydrophobicContact CB-CE2 4.15Å; A56-F386 HydrophobicContact CB-CG 4.16Å; A56-F386 HydrophobicContact CB-CZ 3.95Å; A56-F386 VanDerWaalsContact N-CE2 3.34Å; I382-F386 WeakPolarHBondContact O-CB 3.36Å; I382-F386 WeakPolarHBondContact O-CD2 3.34Å; L384-F386 WeakPolarHBondContact O-CD2 3.29Å; L384-F386 PolarHBondContact O-N 3.38Å; L384-F386 VanDerWaalsContact O-N 3.15Å; F386-L390 HydrophobicContact CB-CD1 3.67Å; F386-L390 HydrophobicContact CD1-CD1 3.62Å; F386-L390 HydrophobicContact CE1-CD1 4.5Å; F386-L390 HydrophobicContact CG-CD1 3.8Å; F386-L402 HydrophobicContact CD2-CD1 4.19Å; F386-L402 HydrophobicContact CE1-CD1 4.49Å; F386-L402 HydrophobicContact CE2-CD1 3.97Å; F386-L402 HydrophobicContact CZ-CD1 4.13Å |
| 387 | P | 84.7 | Confident | 84.2 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -66.9 | 151.5 | 170.9 | 29.5 | -34.5 | 0 | 0 | 0 | 111 | L390 | P387-L390 HydrophobicContact CG-CD2 4.5Š|
| 388 | S | 86 | Confident | 85.4 | Confident | 50 Ų | 50 | 38.1 Ų | 38.1 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 149.5 | 169.1 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | P380 | P380-S388 VanDerWaalsContact O-CB 3.29Å; P380-S388 WeakPolarHBondContact O-CB 3.25Å |
| 389 | G | 87 | Confident | 86.3 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 33% | 0.33 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | 9.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M364 | M364-G389 VanDerWaalsContact CE-C 3.49Å; M364-G389 VanDerWaalsContact CE-O 3.24Å; M364-G389 WeakPolarHBondContact CE-O 3.4Å |
| 390 | L | 92.2 | Very high | 86.9 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 145.5 | 172.9 | -64.9 | 178.2 | 0 | 0 | 0 | 111.8 | I9 F386 P387 L402 | I9-L390 HydrophobicContact CG2-CD1 4.09Å; I9-L390 HydrophobicContact CG2-CD2 4.19Å; F386-L390 HydrophobicContact CB-CD1 3.67Å; F386-L390 HydrophobicContact CD1-CD1 3.62Å; F386-L390 HydrophobicContact CE1-CD1 4.5Å; F386-L390 HydrophobicContact CG-CD1 3.8Å; P387-L390 HydrophobicContact CG-CD2 4.5Å; L390-L402 HydrophobicContact CD1-CB 4.41Å; L390-L402 HydrophobicContact CD1-CD1 4.37Å |
| 391 | I | 93.4 | Very high | 87.2 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.9 | 178.3 | -54.4 | 169.1 | 0 | 0 | 0 | 107.5 | L333 L341 I362 V393 S403 L405 | L333-I391 HydrophobicContact CD1-CD1 4.02Å; L333-I391 HydrophobicContact CD1-CG1 4.16Å; L333-I391 HydrophobicContact CD1-CG2 4.35Å; L341-I391 HydrophobicContact CD2-CD1 3.6Å; I362-I391 HydrophobicContact CB-CG2 4.45Å; I391-V393 HydrophobicContact CG2-CG2 3.92Å; I391-S403 PolarHBondContact N-O 2.97Å; I391-S403 PolarHBondContact O-N 2.88Å; I391-L405 HydrophobicContact CD1-CD2 4.19Å; I391-L405 HydrophobicContact CD1-CG 4.44Å |
| 392 | V | 93.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.3 | 170.1 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | L25 L27 I40 I362 S363 I382 I400 T401 L402 | L25-V392 HydrophobicContact CD1-CG1 4.22Å; L25-V392 HydrophobicContact CD2-CG1 3.74Å; L27-V392 HydrophobicContact CD1-CB 4.41Å; L27-V392 HydrophobicContact CD1-CG2 3.93Å; L27-V392 HydrophobicContact CD2-CG2 3.9Å; L27-V392 HydrophobicContact CG-CG2 4.48Å; I40-V392 HydrophobicContact CD1-CG1 4.45Å; I40-V392 HydrophobicContact CD1-CG2 4.13Å; I40-V392 HydrophobicContact CG1-CG2 4.42Å; I40-V392 HydrophobicContact CG2-CG1 4.37Å; I362-V392 CarbonylContact C-O 3.51Å; I362-V392 VanDerWaalsContact CA-O 3.27Å; I362-V392 WeakPolarHBondContact CA-O 3.2Å; S363-V392 PolarHBondContact N-O 3.18Å; S363-V392 PolarHBondContact O-N 3.12Å; I382-V392 HydrophobicContact CD1-CG2 3.43Å; I382-V392 VanDerWaalsContact CD1-CG2 3.43Å; I382-V392 HydrophobicContact CG2-CG2 4.34Å; V392-I400 HydrophobicContact CG1-CG2 3.9Å; V392-T401 CarbonylContact C-O 3.52Å; V392-T401 WeakPolarHBondContact CA-O 3.39Å; V392-L402 HydrophobicContact CB-CD2 4.36Å; V392-L402 HydrophobicContact CG2-CD2 3.33Å |
| 393 | V | 92.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.5 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | L355 V359 I362 I391 I400 T401 | L355-V393 HydrophobicContact CD2-CG1 4.19Å; L355-V393 HydrophobicContact CD2-CG2 4.46Å; V359-V393 HydrophobicContact CB-CG1 4.25Å; V359-V393 HydrophobicContact CG1-CG1 3.76Å; V359-V393 HydrophobicContact CG2-CG1 3.45Å; V359-V393 VanDerWaalsContact CG2-CG1 3.45Å; I362-V393 HydrophobicContact CG2-CG1 4.46Å; I362-V393 HydrophobicContact CG2-CG2 4.29Å; I391-V393 HydrophobicContact CG2-CG2 3.92Å; V393-I400 CarbonylContact O-C 3.41Å; V393-I400 WeakPolarHBondContact O-CA 3.19Å; V393-T401 PolarHBondContact N-O 3.37Å; V393-T401 PolarHBondContact O-N 2.8Å |
| 394 | L | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 113.8 | 168.6 | 174.1 | 63.4 | 0 | 0 | 0 | 109 | F23 L25 F42 I360 R361 I400 | F23-L394 HydrophobicContact CB-CD2 3.7Å; L25-L394 HydrophobicContact CB-CD2 4.26Å; L25-L394 HydrophobicContact CD2-CB 4.31Å; F42-L394 HydrophobicContact CD2-CD1 4.24Å; F42-L394 HydrophobicContact CD2-CD2 4.43Å; F42-L394 HydrophobicContact CE2-CD1 3.53Å; F42-L394 HydrophobicContact CE2-CD2 3.94Å; F42-L394 HydrophobicContact CE2-CG 4.4Å; F42-L394 HydrophobicContact CZ-CD1 4.31Å; I360-L394 HydrophobicContact CB-CD2 4.31Å; I360-L394 HydrophobicContact CB-CG 4.29Å; I360-L394 HydrophobicContact CG2-CD2 4.26Å; I360-L394 PolarHBondContact N-O 2.84Å; R361-L394 HydrophobicContact CB-CB 4.17Å; R361-L394 HydrophobicContact CB-CD2 4.26Å; R361-L394 PolarHBondContact N-O 2.91Å; R361-L394 PolarHBondContact O-N 3.06Å; L394-I400 HydrophobicContact CD1-CG1 3.84Å |
| 395 | H | 88.3 | Confident | 88.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 160.5 | 178.6 | -61.9 | -84.4 | 0 | 0 | 0 | 111.4 | I357 G358 N397 G398 R399 T401 | I357-H395 HydrophobicContact CB-CB 4.5Å; I357-H395 HydrophobicContact CG2-CB 4.09Å; G358-H395 CarbonylContact O-C 3.58Å; G358-H395 WeakPolarHBondContact O-CA 3.33Å; H395-N397 WeakPolarHBondContact CB-OD1 3.42Å; H395-N397 PolarHBondContact O-N 2.84Å; H395-G398 PolarHBondContact O-N 2.84Å; H395-R399 HydrophobicContact CB-CB 4.14Å; H395-R399 PolarHBondContact CD2-O 3Å; H395-R399 PolarHBondContact N-O 2.86Å; H395-T401 WeakPolarHBondContact NE2-CG2 3.4Å; H395-T401 PolarHBondContact NE2-OG1 2.89Å |
| 396 | R | 82.9 | Confident | 88.9 | Confident | 146 Ų | 146 | 29.6 Ų | 29.6 | 55% | 0.551 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23 | -176.8 | -172.6 | 170.3 | -179.9 | 154.3 | 1.9 | 114.2 | G358 I360 G398 | G358-R396 WeakPolarHBondContact O-CB 3.49Å; G358-R396 PolarHBondContact O-N 2.97Å; I360-R396 HydrophobicContact CD1-CB 4.37Å; I360-R396 HydrophobicContact CD1-CG 4.44Å; I360-R396 HydrophobicContact CG1-CB 4.26Å; R396-G398 VanDerWaalsContact C-N 3.26Å; R396-G398 PolarHBondContact O-N 2.8Å |
| 397 | N | 80.8 | Confident | 89.1 | Confident | 53 Ų | 53 | 33.4 Ų | 33.4 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 10.6 | 176.1 | 66.5 | -19.3 | 0 | 0 | 0 | 113.3 | Q13 H395 R399 | Q13-N397 PolarHBondContact NE2-O 2.76Å; H395-N397 WeakPolarHBondContact CB-OD1 3.42Å; H395-N397 PolarHBondContact O-N 2.84Å; N397-R399 VanDerWaalsContact C-N 3.27Å; N397-R399 PolarHBondContact O-N 2.8Å; N397-R399 VanDerWaalsContact OD1-CB 3.23Å; N397-R399 WeakPolarHBondContact OD1-CB 3.47Å; N397-R399 PolarHBondContact OD1-N 2.75Å; N397-R399 VanDerWaalsContact OD1-N 3.16Å |
| 398 | G | 81.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 78.6 | 5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H395 R396 | H395-G398 PolarHBondContact O-N 2.84Å; R396-G398 VanDerWaalsContact C-N 3.26Å; R396-G398 PolarHBondContact O-N 2.8Å |
| 399 | R | 86.5 | Confident | 88.6 | Confident | 71 Ų | 71 | 35.6 Ų | 35.6 | 27% | 0.268 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132.2 | 173 | -161.3 | 177.7 | 175.3 | -164.3 | -6.3 | 110 | S11 H395 N397 T401 | S11-R399 VanDerWaalsContact CB-NH2 3.32Å; S11-R399 PolarHBondContact OG-NH2 2.83Å; H395-R399 HydrophobicContact CB-CB 4.14Å; H395-R399 PolarHBondContact CD2-O 3Å; H395-R399 PolarHBondContact N-O 2.86Å; N397-R399 VanDerWaalsContact C-N 3.27Å; N397-R399 PolarHBondContact O-N 2.8Å; N397-R399 VanDerWaalsContact OD1-CB 3.23Å; N397-R399 WeakPolarHBondContact OD1-CB 3.47Å; N397-R399 PolarHBondContact OD1-N 2.75Å; N397-R399 VanDerWaalsContact OD1-N 3.16Å; R399-T401 HydrophobicContact CG-CG2 4.11Å |
| 400 | I | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.9 | 170.2 | -55 | 172.6 | 0 | 0 | 0 | 107.5 | W10 S11 S12 L14 I40 F42 F52 V392 V393 L394 | W10-I400 HydrophobicContact CZ3-CB 4.4Å; W10-I400 HydrophobicContact CZ3-CG2 4.09Å; S11-I400 CarbonylContact C-O 3.57Å; S11-I400 VanDerWaalsContact CA-O 3.23Å; S11-I400 WeakPolarHBondContact CA-O 3.38Å; S12-I400 PolarHBondContact N-O 3.12Å; S12-I400 PolarHBondContact O-N 2.75Å; L14-I400 HydrophobicContact CD1-CD1 3.73Å; I40-I400 HydrophobicContact CG2-CG2 4.49Å; F42-I400 HydrophobicContact CB-CD1 3.85Å; F42-I400 HydrophobicContact CD1-CD1 4.29Å; F42-I400 HydrophobicContact CD2-CD1 3.64Å; F42-I400 HydrophobicContact CD2-CG1 4.35Å; F42-I400 HydrophobicContact CE2-CD1 4.2Å; F42-I400 HydrophobicContact CG-CD1 3.66Å; F52-I400 HydrophobicContact CE2-CD1 4.15Å; V392-I400 HydrophobicContact CG1-CG2 3.9Å; V393-I400 CarbonylContact O-C 3.41Å; V393-I400 WeakPolarHBondContact O-CA 3.19Å; L394-I400 HydrophobicContact CD1-CG1 3.84Å |
| 401 | T | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.9 | 176.4 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | W10 V392 V393 H395 R399 S403 | W10-T401 CarbonylContact O-C 3.6Å; W10-T401 VanDerWaalsContact O-CA 3.29Å; W10-T401 WeakPolarHBondContact O-CA 3.44Å; V392-T401 CarbonylContact C-O 3.52Å; V392-T401 WeakPolarHBondContact CA-O 3.39Å; V393-T401 PolarHBondContact N-O 3.37Å; V393-T401 PolarHBondContact O-N 2.8Å; H395-T401 WeakPolarHBondContact NE2-CG2 3.4Å; H395-T401 PolarHBondContact NE2-OG1 2.89Å; R399-T401 HydrophobicContact CG-CG2 4.11Å; T401-S403 PolarHBondContact OG1-OG 2.82Å |
| 402 | L | 92.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.1 | 157.8 | -67 | 177.2 | 0 | 0 | 0 | 107.1 | D8 I9 W10 I40 P54 I382 F386 L390 V392 | D8-L402 WeakPolarHBondContact CA-O 3.43Å; I9-L402 HydrophobicContact CG2-CB 3.87Å; I9-L402 WeakPolarHBondContact CG2-O 3.29Å; I9-L402 PolarHBondContact N-O 2.72Å; W10-L402 HydrophobicContact CB-CB 4.04Å; W10-L402 HydrophobicContact CB-CD1 4.07Å; W10-L402 HydrophobicContact CB-CG 4.29Å; W10-L402 HydrophobicContact CD2-CD1 4.45Å; W10-L402 HydrophobicContact CD2-CG 4.49Å; W10-L402 HydrophobicContact CE3-CB 4.46Å; W10-L402 HydrophobicContact CE3-CD1 4.27Å; W10-L402 HydrophobicContact CE3-CG 3.88Å; W10-L402 HydrophobicContact CG-CD1 4.41Å; W10-L402 PolarHBondContact N-O 3.37Å; W10-L402 PolarHBondContact O-N 2.89Å; I40-L402 HydrophobicContact CD1-CD2 4.07Å; I40-L402 HydrophobicContact CD1-CG 4.49Å; P54-L402 HydrophobicContact CB-CD1 4.09Å; P54-L402 HydrophobicContact CG-CD1 3.59Å; I382-L402 HydrophobicContact CB-CD2 4.29Å; I382-L402 HydrophobicContact CD1-CD2 4.07Å; I382-L402 HydrophobicContact CG2-CD2 3.93Å; F386-L402 HydrophobicContact CD2-CD1 4.19Å; F386-L402 HydrophobicContact CE1-CD1 4.49Å; F386-L402 HydrophobicContact CE2-CD1 3.97Å; F386-L402 HydrophobicContact CZ-CD1 4.13Å; L390-L402 HydrophobicContact CD1-CB 4.41Å; L390-L402 HydrophobicContact CD1-CD1 4.37Å; V392-L402 HydrophobicContact CB-CD2 4.36Å; V392-L402 HydrophobicContact CG2-CD2 3.33Å |
| 403 | S | 91.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.5 | -171.8 | -41.9 | 0 | 0 | 0 | 0 | 112.1 | C7 D8 I391 T401 | C7-S403 CarbonylContact O-C 3.5Å; C7-S403 WeakPolarHBondContact O-CA 3.32Å; C7-S403 VanDerWaalsContact O-CB 3.32Å; C7-S403 WeakPolarHBondContact O-CB 3.49Å; D8-S403 WeakPolarHBondContact OD1-CB 3.46Å; D8-S403 PolarHBondContact OD1-OG 3.2Å; I391-S403 PolarHBondContact N-O 2.97Å; I391-S403 PolarHBondContact O-N 2.88Å; T401-S403 PolarHBondContact OG1-OG 2.82Å |
| 404 | Y | 92.1 | Very high | 79 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 164.2 | 175.7 | 63 | -87.5 | 0 | 0 | 0 | 110.7 | C7 I9 | C7-Y404 HydrophobicContact CB-CD1 4.13Å; C7-Y404 HydrophobicContact CB-CD2 4.02Å; C7-Y404 HydrophobicContact CB-CE1 3.61Å; C7-Y404 HydrophobicContact CB-CE2 3.49Å; C7-Y404 VanDerWaalsContact CB-CE2 3.49Å; C7-Y404 HydrophobicContact CB-CG 4.32Å; C7-Y404 WeakPolarHBondContact CB-OH 3.32Å; C7-Y404 PolarHBondContact N-O 2.84Å; C7-Y404 VanDerWaalsContact O-CD1 3.26Å; C7-Y404 WeakPolarHBondContact O-CD1 3.38Å; C7-Y404 PolarHBondContact O-N 2.81Å; I9-Y404 HydrophobicContact CB-CD1 4.19Å; I9-Y404 HydrophobicContact CB-CE1 4.2Å |
| 405 | L | 92.8 | Very high | 76.6 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.7 | 178.6 | -61 | 175.8 | 0 | 0 | 0 | 110 | I6 L341 V343 W351 A353 I391 T407 | I6-L405 HydrophobicContact CG1-CD2 4.19Å; L341-L405 HydrophobicContact CD2-CD2 3.87Å; V343-L405 HydrophobicContact CG2-CD1 4Å; W351-L405 HydrophobicContact CG-CD1 4.37Å; A353-L405 HydrophobicContact CB-CD2 4.02Å; I391-L405 HydrophobicContact CD1-CD2 4.19Å; I391-L405 HydrophobicContact CD1-CG 4.44Å; L405-T407 PolarHBondContact O-N 2.96Å |
| 406 | G | 89.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -72.5 | 121.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S2 L3 F4 K5 | S2-G406 CarbonylContact O-C 3.55Å; S2-G406 VanDerWaalsContact O-CA 3.3Å; S2-G406 WeakPolarHBondContact O-CA 3.2Å; L3-G406 WeakPolarHBondContact CA-O 3.46Å; F4-G406 PolarHBondContact N-O 3.15Å; K5-G406 WeakPolarHBondContact O-CA 3.44Å; K5-G406 PolarHBondContact O-N 3.45Å | ||
| 407 | T | 89 | Confident | 72.5 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | trans | -115.9 | 1.5 | -174 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | L3 W351 L405 P409 | L3-T407 WeakPolarHBondContact CD1-O 3.24Å; W351-T407 HydrophobicContact CH2-CG2 4.34Å; W351-T407 HydrophobicContact CZ2-CG2 4.16Å; L405-T407 PolarHBondContact O-N 2.96Å; T407-P409 WeakPolarHBondContact O-CD 3.44Å | ||
| 408 | D | 84 | Confident | 70.3 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | trans | -87 | 101.6 | -174.3 | -170 | 17.6 | 0 | 0 | 0 | 111 | S2 L3 S410 | S2-D408 WeakPolarHBondContact OG-CB 3.28Å; L3-D408 WeakPolarHBondContact CB-O 3.17Å; L3-D408 PolarHBondContact N-O 2.77Å; L3-D408 VanDerWaalsContact N-O 3.17Å; D408-S410 PolarHBondContact O-N 2.8Å | ||
| 409 | P | 75.8 | Confident | 68.7 | Low | 71 Ų | 71 | 85.4 Ų | 85.4 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 130.8 | 174.3 | 30.9 | -34.3 | 0 | 0 | 0 | 108.4 | L3 T407 N411 | L3-P409 HydrophobicContact CD2-CB 4.02Å; T407-P409 WeakPolarHBondContact O-CD 3.44Å; P409-N411 PolarHBondContact O-N 3.19Å |
| 410 | S | 62.9 | Low | 66.2 | Low | 54 Ų | 54 | 85.9 Ų | 85.9 | 38% | 0.378 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 117.5 | 169.5 | 51.4 | 0 | 0 | 0 | 0 | 108.9 | D408 L412 | D408-S410 PolarHBondContact O-N 2.8Å; S410-L412 PolarHBondContact O-N 2.78Å; S410-L412 VanDerWaalsContact O-N 3.13Å |
| 411 | N | 54.6 | Low | 63.3 | Low | 138 Ų | 138 | 90.8 Ų | 90.8 | 74% | 0.738 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 124.3 | 146.6 | -74.3 | -21.6 | 0 | 0 | 0 | 104.9 | P409 V413 | P409-N411 PolarHBondContact O-N 3.19Å; N411-V413 HydrophobicContact CB-CG2 3.98Å; N411-V413 PolarHBondContact O-N 3.34Å |
| 412 | L | 49.6 | Very low | 60.6 | Low | 169 Ų | 169 | 98.8 Ų | 98.8 | 89% | 0.885 | 54% | 0.538 | S | S | * | . | trans | -63.7 | 59.1 | 174.1 | -79 | 149.3 | 0 | 0 | 0 | 109.5 | S410 V414 | S410-L412 PolarHBondContact O-N 2.78Å; S410-L412 VanDerWaalsContact O-N 3.13Å; L412-V414 PolarHBondContact O-N 3.15Å | ||
| 413 | V | 47.7 | Very low | 57.7 | Low | 101 Ų | 101 | 106.9 Ų | 106.9 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | trans | -86 | 99.7 | 165 | -176.3 | 0 | 0 | 0 | 0 | 102.9 | N411 P415 | N411-V413 HydrophobicContact CB-CG2 3.98Å; N411-V413 PolarHBondContact O-N 3.34Å; V413-P415 WeakPolarHBondContact O-CD 3.47Å | ||
| 414 | V | 43.1 | Very low | 54.9 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 66% | 0.661 | 62% | 0.621 | S | S | * | * | trans | -43.8 | 116.1 | 161 | 179.6 | 0 | 0 | 0 | 0 | 105.2 | L412 N416 | L412-V414 PolarHBondContact O-N 3.15Å; V414-N416 PolarHBondContact O-N 2.93Å; V414-N416 VanDerWaalsContact O-N 3.08Å | ||
| 415 | P | 40.8 | Very low | 52.1 | Low | 82 Ų | 82 | 114.2 Ų | 114.2 | 53% | 0.532 | 64% | 0.64 | S | S | . | * | trans | -54.4 | 128.9 | 176.9 | 10.7 | -12.9 | 0 | 0 | 0 | 105.6 | V413 I417 | V413-P415 WeakPolarHBondContact O-CD 3.47Å; P415-I417 HydrophobicContact CB-CD1 4.34Å; P415-I417 HydrophobicContact CB-CG1 4.08Å; P415-I417 HydrophobicContact CG-CD1 3.93Å; P415-I417 HydrophobicContact CG-CG1 4.23Å; P415-I417 WeakPolarHBondContact O-CG1 3.47Å; P415-I417 PolarHBondContact O-N 2.85Å | ||
| 416 | N | 42.4 | Very low | 49.3 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | trans | -63.5 | 76.1 | 175.7 | -85.9 | -21.4 | 0 | 0 | 0 | 108.4 | V414 M418 | V414-N416 PolarHBondContact O-N 2.93Å; V414-N416 VanDerWaalsContact O-N 3.08Å; N416-M418 PolarHBondContact O-N 2.95Å | ||
| 417 | I | 41.4 | Very low | 46.7 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 55% | 0.554 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -74.7 | -1.4 | 176.9 | -69.2 | 169.4 | 0 | 0 | 0 | 109.8 | P415 K419 S420 | P415-I417 HydrophobicContact CB-CD1 4.34Å; P415-I417 HydrophobicContact CB-CG1 4.08Å; P415-I417 HydrophobicContact CG-CD1 3.93Å; P415-I417 HydrophobicContact CG-CG1 4.23Å; P415-I417 WeakPolarHBondContact O-CG1 3.47Å; P415-I417 PolarHBondContact O-N 2.85Å; I417-K419 PolarHBondContact O-N 3.36Å; I417-S420 CarbonylContact O-C 3.56Å; I417-S420 PolarHBondContact O-N 3.39Å |
| 418 | M | 36.2 | Very low | 44 | Very low | 179 Ų | 179 | 130 Ų | 130 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -65.5 | 8.4 | 170 | -72.5 | -165.2 | 173.7 | 0 | 0 | 115.2 | N416 | N416-M418 PolarHBondContact O-N 2.95Š|
| 419 | K | 46.6 | Very low | 41.9 | Very low | 207 Ų | 207 | 132 Ų | 132 | 90% | 0.9 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -110.4 | 0.3 | 165.1 | -70.2 | -172 | 178 | -178.7 | 0 | 114.9 | I417 | I417-K419 PolarHBondContact O-N 3.36Š|
| 420 | S | 34.3 | Very low | 40 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 57% | 0.566 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -120.3 | 77.2 | 161.8 | 62.1 | 0 | 0 | 0 | 0 | 108.5 | I417 | I417-S420 CarbonylContact O-C 3.56Å; I417-S420 PolarHBondContact O-N 3.39Å |
| 421 | S | 29.6 | Very low | 39.2 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -56.8 | 136.7 | 166.6 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 422 | Q | 34.2 | Very low | 38.6 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 103.7 | 104.7 | 166.2 | -55.4 | 178.4 | 8 | 0 | 0 | 114.9 | ||
| 423 | N | 31.8 | Very low | 38.2 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 105 | 102.7 | 161.1 | -53.8 | -21.7 | 0 | 0 | 0 | 116.4 | ||
| 424 | G | 33.2 | Very low | 37.9 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | 123.2 | 58.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 425 | H | 33.6 | Very low | 37.9 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 83% | 0.833 | 74% | 0.739 | S | S | * | * | trans | -94.1 | 120.7 | 161.1 | -86.1 | -63.9 | 0 | 0 | 0 | 109.2 | ||||
| 426 | N | 35.4 | Very low | 38.1 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | trans | 148.1 | 148.9 | 150.7 | -73.6 | -12.1 | 0 | 0 | 0 | 108.8 | ||||
| 427 | Y | 34.1 | Very low | 38.3 | Very low | 225 Ų | 225 | 138.7 Ų | 138.7 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | 88.6 | 82.1 | -177.6 | -56 | -76.9 | 0 | 0 | 0 | 115.9 | ||||
| 428 | S | 33.5 | Very low | 38.5 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | 149.4 | 108.6 | 129.3 | 50.3 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 429 | N | 38.3 | Very low | 38.9 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 178.1 | 140.7 | 144.2 | -82.9 | -18.2 | 0 | 0 | 0 | 106.4 | ||
| 430 | E | 37 | Very low | 38.9 | Very low | 192 Ų | 192 | 131.7 Ų | 131.7 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | trans | 90.2 | 65.8 | 178.9 | -50.7 | -176 | -175.4 | 0 | 0 | 115.9 | ||||
| 431 | I | 45 | Very low | 39.8 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | trans | -123.8 | 130.8 | 152.2 | -61.8 | 176.8 | 0 | 0 | 0 | 106.7 | ||||
| 432 | D | 42.1 | Very low | 40.9 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 86.3 | 124.1 | 178.2 | -54.7 | -27 | 0 | 0 | 0 | 116.8 | ||
| 433 | P | 41.3 | Very low | 41.9 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 69% | 0.686 | S | S | * | * | S | Bend | cis | -133.5 | 36.3 | 15.5 | 39.3 | -17.6 | 0 | 0 | 0 | 115.1 | ||
| 434 | N | 42 | Very low | 43.6 | Very low | 105 Ų | 105 | 127 Ų | 127 | 56% | 0.561 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -94.8 | -0.8 | 177 | -72.4 | -14.6 | 0 | 0 | 0 | 114.5 | S436 Q437 L438 | N434-S436 VanDerWaalsContact C-N 3.3Å; N434-S436 PolarHBondContact O-N 3.03Å; N434-Q437 PolarHBondContact O-N 2.94Å; N434-L438 HydrophobicContact CB-CD1 3.79Å; N434-L438 PolarHBondContact O-N 2.56Å; N434-L438 VanDerWaalsContact O-N 3.14Å |
| 435 | Q | 43.9 | Very low | 45.3 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 45% | 0.449 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.3 | -16.4 | -169.9 | -81.1 | -172.5 | -2.3 | 0 | 0 | 115.4 | K439 | Q435-K439 WeakPolarHBondContact O-CB 3.35Å; Q435-K439 WeakPolarHBondContact O-CD 3.49Å; Q435-K439 VanDerWaalsContact O-CG 3.29Å; Q435-K439 WeakPolarHBondContact O-CG 3.36Å |
| 436 | S | 44.5 | Very low | 46.9 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -86.6 | -26 | 176.9 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | N434 | N434-S436 VanDerWaalsContact C-N 3.3Å; N434-S436 PolarHBondContact O-N 3.03Å |
| 437 | Q | 47.2 | Very low | 48.6 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -90.4 | -37.8 | 176.5 | -74.6 | -178.3 | -22.1 | 0 | 0 | 112.1 | N434 K439 N440 | N434-Q437 PolarHBondContact O-N 2.94Å; Q437-K439 VanDerWaalsContact C-N 3.28Å; Q437-K439 PolarHBondContact O-N 3.42Å; Q437-N440 PolarHBondContact O-N 3.14Å |
| 438 | L | 45.7 | Very low | 50.5 | Low | 102 Ų | 102 | 120.4 Ų | 120.4 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.7 | -25.1 | 175.9 | -76.5 | 163.7 | 0 | 0 | 0 | 113.4 | N434 N440 S442 | N434-L438 HydrophobicContact CB-CD1 3.79Å; N434-L438 PolarHBondContact O-N 2.56Å; N434-L438 VanDerWaalsContact O-N 3.14Å; L438-N440 VanDerWaalsContact C-N 3.32Å; L438-N440 PolarHBondContact O-N 2.91Å; L438-S442 WeakPolarHBondContact O-CB 3.41Å; L438-S442 PolarHBondContact O-N 2.93Å; L438-S442 PolarHBondContact O-OG 3.49Å |
| 439 | K | 43 | Very low | 52.4 | Low | 126 Ų | 126 | 120 Ų | 120 | 55% | 0.548 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.3 | -24.8 | 178.9 | -91.2 | -179.1 | 178.7 | 176.4 | 0 | 114 | Q435 Q437 F443 | Q435-K439 WeakPolarHBondContact O-CB 3.35Å; Q435-K439 WeakPolarHBondContact O-CD 3.49Å; Q435-K439 VanDerWaalsContact O-CG 3.29Å; Q435-K439 WeakPolarHBondContact O-CG 3.36Å; Q437-K439 VanDerWaalsContact C-N 3.28Å; Q437-K439 PolarHBondContact O-N 3.42Å; K439-F443 WeakPolarHBondContact O-CB 3.26Å |
| 440 | N | 47.2 | Very low | 53.9 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 63% | 0.631 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -89.5 | -41.3 | 178.6 | -70.4 | -5.5 | 0 | 0 | 0 | 111.2 | Q437 L438 F443 D444 | Q437-N440 PolarHBondContact O-N 3.14Å; L438-N440 VanDerWaalsContact C-N 3.32Å; L438-N440 PolarHBondContact O-N 2.91Å; N440-F443 PolarHBondContact O-N 3.45Å; N440-D444 PolarHBondContact O-N 3.27Å |
| 441 | E | 52.3 | Low | 55.6 | Low | 138 Ų | 138 | 110.7 Ų | 110.7 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72 | -35 | 177.3 | -71 | -179.3 | 164.7 | 0 | 0 | 112.6 | F443 D444 E445 | E441-F443 VanDerWaalsContact C-N 3.33Å; E441-F443 PolarHBondContact O-N 2.87Å; E441-D444 PolarHBondContact O-N 3.39Å; E441-E445 PolarHBondContact O-N 3.01Å; E441-E445 VanDerWaalsContact O-N 3.07Å |
| 442 | S | 53 | Low | 56.9 | Low | 49 Ų | 49 | 110 Ų | 110 | 34% | 0.343 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.5 | -28.5 | 174.2 | 62.2 | 0 | 0 | 0 | 0 | 113 | L438 E446 | L438-S442 WeakPolarHBondContact O-CB 3.41Å; L438-S442 PolarHBondContact O-N 2.93Å; L438-S442 PolarHBondContact O-OG 3.49Å; S442-E446 VanDerWaalsContact O-CB 3.25Å; S442-E446 WeakPolarHBondContact O-CB 3.48Å; S442-E446 VanDerWaalsContact O-CG 3.31Å; S442-E446 WeakPolarHBondContact O-CG 3.12Å; S442-E446 PolarHBondContact O-N 2.66Å |
| 443 | F | 55.6 | Low | 57.9 | Low | 127 Ų | 127 | 110.1 Ų | 110.1 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.4 | -38.8 | 176.3 | -149.7 | -91.8 | 0 | 0 | 0 | 111.3 | K439 N440 E441 M447 | K439-F443 WeakPolarHBondContact O-CB 3.26Å; N440-F443 PolarHBondContact O-N 3.45Å; E441-F443 VanDerWaalsContact C-N 3.33Å; E441-F443 PolarHBondContact O-N 2.87Å; F443-M447 HydrophobicContact CD1-CE 4.27Å; F443-M447 HydrophobicContact CE1-CE 3.77Å; F443-M447 WeakPolarHBondContact O-CB 3.44Å; F443-M447 PolarHBondContact O-N 2.9Å |
| 444 | D | 66.9 | Low | 59.2 | Low | 112 Ų | 112 | 108.3 Ų | 108.3 | 60% | 0.599 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.7 | -39.9 | 175.2 | -75.4 | -22.2 | 0 | 0 | 0 | 111.7 | N440 E441 H448 | N440-D444 PolarHBondContact O-N 3.27Å; E441-D444 PolarHBondContact O-N 3.39Å; D444-H448 WeakPolarHBondContact O-CB 3.36Å; D444-H448 PolarHBondContact O-N 3.44Å |
| 445 | E | 69.9 | Low | 60.4 | Low | 131 Ų | 131 | 108.2 Ų | 108.2 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 173.6 | -75.9 | -170.4 | 167 | 0 | 0 | 112.8 | E441 H448 Q449 | E441-E445 PolarHBondContact O-N 3.01Å; E441-E445 VanDerWaalsContact O-N 3.07Å; E445-H448 PolarHBondContact O-N 3.03Å; E445-Q449 WeakPolarHBondContact O-CB 3.12Å; E445-Q449 WeakPolarHBondContact O-CG 3.37Å; E445-Q449 PolarHBondContact O-N 3.09Å |
| 446 | E | 66 | Low | 61.1 | Low | 122 Ų | 122 | 108.7 Ų | 108.7 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -41.3 | 174.7 | -79 | -172.3 | 174.1 | 0 | 0 | 111.3 | S442 H448 Q449 V450 | S442-E446 VanDerWaalsContact O-CB 3.25Å; S442-E446 WeakPolarHBondContact O-CB 3.48Å; S442-E446 VanDerWaalsContact O-CG 3.31Å; S442-E446 WeakPolarHBondContact O-CG 3.12Å; S442-E446 PolarHBondContact O-N 2.66Å; E446-H448 VanDerWaalsContact C-N 3.34Å; E446-Q449 PolarHBondContact O-N 3.03Å; E446-V450 WeakPolarHBondContact O-CB 3.45Å; E446-V450 VanDerWaalsContact O-CG2 3.24Å; E446-V450 WeakPolarHBondContact O-CG2 3.47Å; E446-V450 PolarHBondContact O-N 3.15Å |
| 447 | M | 71.9 | Confident | 61.3 | Low | 93 Ų | 93 | 109.6 Ų | 109.6 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.1 | -163.9 | 83.8 | 89.5 | 0 | 0 | 110.8 | F443 V450 N451 | F443-M447 HydrophobicContact CD1-CE 4.27Å; F443-M447 HydrophobicContact CE1-CE 3.77Å; F443-M447 WeakPolarHBondContact O-CB 3.44Å; F443-M447 PolarHBondContact O-N 2.9Å; M447-V450 PolarHBondContact O-N 3Å; M447-N451 WeakPolarHBondContact O-CB 3.5Å; M447-N451 VanDerWaalsContact O-CG 3.31Å; M447-N451 PolarHBondContact O-N 3.11Å; M447-N451 PolarHBondContact O-ND2 3.4Å |
| 448 | H | 74.6 | Confident | 61.4 | Low | 144 Ų | 144 | 107.5 Ų | 107.5 | 67% | 0.667 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 172.9 | -108.3 | -61.6 | 0 | 0 | 0 | 112 | D444 E445 E446 N451 E452 | D444-H448 WeakPolarHBondContact O-CB 3.36Å; D444-H448 PolarHBondContact O-N 3.44Å; E445-H448 PolarHBondContact O-N 3.03Å; E446-H448 VanDerWaalsContact C-N 3.34Å; H448-N451 PolarHBondContact O-N 3.3Å; H448-E452 WeakPolarHBondContact O-CB 3.34Å; H448-E452 PolarHBondContact O-N 3.43Å |
| 449 | Q | 72.7 | Confident | 61.5 | Low | 99 Ų | 99 | 110.4 Ų | 110.4 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 175.9 | -76.8 | -178.3 | 26.9 | 0 | 0 | 112.8 | E445 E446 R453 | E445-Q449 WeakPolarHBondContact O-CB 3.12Å; E445-Q449 WeakPolarHBondContact O-CG 3.37Å; E445-Q449 PolarHBondContact O-N 3.09Å; E446-Q449 PolarHBondContact O-N 3.03Å; Q449-R453 WeakPolarHBondContact O-CB 3.48Å; Q449-R453 WeakPolarHBondContact O-CG 3.48Å; Q449-R453 PolarHBondContact O-N 2.92Å |
| 450 | V | 70.3 | Confident | 61.5 | Low | 68 Ų | 68 | 108 Ų | 108 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 110 | E446 M447 E452 R453 I454 | E446-V450 WeakPolarHBondContact O-CB 3.45Å; E446-V450 VanDerWaalsContact O-CG2 3.24Å; E446-V450 WeakPolarHBondContact O-CG2 3.47Å; E446-V450 PolarHBondContact O-N 3.15Å; M447-V450 PolarHBondContact O-N 3Å; V450-E452 VanDerWaalsContact C-N 3.34Å; V450-E452 PolarHBondContact O-N 3.33Å; V450-R453 CarbonylContact O-C 3.54Å; V450-R453 WeakPolarHBondContact O-CB 3.43Å; V450-R453 PolarHBondContact O-N 2.77Å; V450-I454 HydrophobicContact CG1-CD1 3.84Å; V450-I454 HydrophobicContact CG1-CG1 4.41Å; V450-I454 VanDerWaalsContact O-CG1 3.29Å; V450-I454 WeakPolarHBondContact O-CG1 3.39Å; V450-I454 PolarHBondContact O-N 3.02Å |
| 451 | N | 73.1 | Confident | 61 | Low | 77 Ų | 77 | 105.6 Ų | 105.6 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.9 | -75.5 | -25.3 | 0 | 0 | 0 | 111.6 | M447 H448 R453 I454 D455 | M447-N451 WeakPolarHBondContact O-CB 3.5Å; M447-N451 VanDerWaalsContact O-CG 3.31Å; M447-N451 PolarHBondContact O-N 3.11Å; M447-N451 PolarHBondContact O-ND2 3.4Å; H448-N451 PolarHBondContact O-N 3.3Å; N451-R453 VanDerWaalsContact C-N 3.32Å; N451-R453 PolarHBondContact O-N 3.44Å; N451-I454 PolarHBondContact O-N 3.38Å; N451-D455 WeakPolarHBondContact O-CB 3.36Å; N451-D455 PolarHBondContact O-N 2.89Å |
| 452 | E | 71.7 | Confident | 60.1 | Low | 115 Ų | 115 | 101.9 Ų | 101.9 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 175 | -141.8 | -165.5 | 173.9 | 0 | 0 | 111.7 | H448 V450 D455 Q456 | H448-E452 WeakPolarHBondContact O-CB 3.34Å; H448-E452 PolarHBondContact O-N 3.43Å; V450-E452 VanDerWaalsContact C-N 3.34Å; V450-E452 PolarHBondContact O-N 3.33Å; E452-D455 PolarHBondContact O-N 3.46Å; E452-Q456 WeakPolarHBondContact O-CB 3.43Å; E452-Q456 WeakPolarHBondContact O-CG 3.21Å; E452-Q456 PolarHBondContact O-N 3Å |
| 453 | R | 63.9 | Low | 59.2 | Low | 135 Ų | 135 | 103 Ų | 103 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 172.4 | -81.9 | 178.5 | -174.9 | 154.7 | 8.8 | 112.3 | Q449 V450 N451 Q456 L457 | Q449-R453 WeakPolarHBondContact O-CB 3.48Å; Q449-R453 WeakPolarHBondContact O-CG 3.48Å; Q449-R453 PolarHBondContact O-N 2.92Å; V450-R453 CarbonylContact O-C 3.54Å; V450-R453 WeakPolarHBondContact O-CB 3.43Å; V450-R453 PolarHBondContact O-N 2.77Å; N451-R453 VanDerWaalsContact C-N 3.32Å; N451-R453 PolarHBondContact O-N 3.44Å; R453-Q456 PolarHBondContact O-N 3.49Å; R453-L457 WeakPolarHBondContact O-CB 3.34Å; R453-L457 VanDerWaalsContact O-CG 3.27Å; R453-L457 WeakPolarHBondContact O-CG 3.4Å; R453-L457 PolarHBondContact O-N 2.92Å |
| 454 | I | 67.1 | Low | 58.1 | Low | 76 Ų | 76 | 103.2 Ų | 103.2 | 39% | 0.39 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 174.8 | -70.6 | 166.5 | 0 | 0 | 0 | 109 | V450 N451 Q456 L457 I458 | V450-I454 HydrophobicContact CG1-CD1 3.84Å; V450-I454 HydrophobicContact CG1-CG1 4.41Å; V450-I454 VanDerWaalsContact O-CG1 3.29Å; V450-I454 WeakPolarHBondContact O-CG1 3.39Å; V450-I454 PolarHBondContact O-N 3.02Å; N451-I454 PolarHBondContact O-N 3.38Å; I454-Q456 PolarHBondContact O-N 3.45Å; I454-L457 CarbonylContact O-C 3.51Å; I454-L457 PolarHBondContact O-N 2.79Å; I454-L457 VanDerWaalsContact O-N 3.15Å; I454-I458 HydrophobicContact CG2-CD1 3.64Å; I454-I458 HydrophobicContact CG2-CG1 4.33Å; I454-I458 WeakPolarHBondContact O-CB 3.4Å; I454-I458 VanDerWaalsContact O-CG1 3.26Å; I454-I458 WeakPolarHBondContact O-CG1 3.46Å; I454-I458 PolarHBondContact O-N 3.48Å |
| 455 | D | 67.9 | Low | 56.5 | Low | 102 Ų | 102 | 104 Ų | 104 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.3 | -81.5 | -16.6 | 0 | 0 | 0 | 112.7 | N451 E452 I458 K459 | N451-D455 WeakPolarHBondContact O-CB 3.36Å; N451-D455 PolarHBondContact O-N 2.89Å; E452-D455 PolarHBondContact O-N 3.46Å; D455-I458 PolarHBondContact O-N 3.46Å; D455-K459 WeakPolarHBondContact O-CB 3.36Å; D455-K459 PolarHBondContact O-N 2.65Å |
| 456 | Q | 59.4 | Low | 54.5 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 50% | 0.495 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 173.2 | -75.5 | 173.3 | 17.9 | 0 | 0 | 111.5 | E452 R453 I454 K459 V460 | E452-Q456 WeakPolarHBondContact O-CB 3.43Å; E452-Q456 WeakPolarHBondContact O-CG 3.21Å; E452-Q456 PolarHBondContact O-N 3Å; R453-Q456 PolarHBondContact O-N 3.49Å; I454-Q456 PolarHBondContact O-N 3.45Å; Q456-K459 PolarHBondContact O-N 3.1Å; Q456-V460 WeakPolarHBondContact O-CB 3.47Å; Q456-V460 VanDerWaalsContact O-CG2 3.25Å; Q456-V460 WeakPolarHBondContact O-CG2 3.29Å; Q456-V460 PolarHBondContact O-N 3.48Å |
| 457 | L | 47.2 | Very low | 52.6 | Low | 114 Ų | 114 | 104.7 Ų | 104.7 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.9 | -39.7 | 175.4 | -76.1 | 166.4 | 0 | 0 | 0 | 111.7 | R453 I454 V460 C461 | R453-L457 WeakPolarHBondContact O-CB 3.34Å; R453-L457 VanDerWaalsContact O-CG 3.27Å; R453-L457 WeakPolarHBondContact O-CG 3.4Å; R453-L457 PolarHBondContact O-N 2.92Å; I454-L457 CarbonylContact O-C 3.51Å; I454-L457 PolarHBondContact O-N 2.79Å; I454-L457 VanDerWaalsContact O-N 3.15Å; L457-V460 PolarHBondContact O-N 2.98Å; L457-C461 VanDerWaalsContact O-CB 3.31Å; L457-C461 WeakPolarHBondContact O-CB 3.42Å; L457-C461 PolarHBondContact O-N 2.91Å; L457-C461 PolarHBondContact O-SG 3.25Å; L457-C461 VanDerWaalsContact O-SG 3.36Å |
| 458 | I | 49.4 | Very low | 50.5 | Low | 103 Ų | 103 | 107.2 Ų | 107.2 | 53% | 0.528 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.1 | -40.2 | 174.6 | -67.5 | 167.7 | 0 | 0 | 0 | 110.5 | I454 D455 C461 S462 | I454-I458 HydrophobicContact CG2-CD1 3.64Å; I454-I458 HydrophobicContact CG2-CG1 4.33Å; I454-I458 WeakPolarHBondContact O-CB 3.4Å; I454-I458 VanDerWaalsContact O-CG1 3.26Å; I454-I458 WeakPolarHBondContact O-CG1 3.46Å; I454-I458 PolarHBondContact O-N 3.48Å; D455-I458 PolarHBondContact O-N 3.46Å; I458-C461 PolarHBondContact O-N 3.14Å; I458-S462 WeakPolarHBondContact O-CB 3.32Å; I458-S462 PolarHBondContact O-N 2.96Å; I458-S462 PolarHBondContact O-OG 3.45Å |
| 459 | K | 49 | Very low | 48.2 | Very low | 163 Ų | 163 | 106.8 Ų | 106.8 | 71% | 0.709 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 173 | -97.5 | 177.8 | 176.3 | 169 | 0 | 113.1 | D455 Q456 S462 S463 | D455-K459 WeakPolarHBondContact O-CB 3.36Å; D455-K459 PolarHBondContact O-N 2.65Å; Q456-K459 PolarHBondContact O-N 3.1Å; K459-S462 VanDerWaalsContact CA-OG 3.29Å; K459-S462 WeakPolarHBondContact CA-OG 3.33Å; K459-S462 PolarHBondContact O-OG 3.39Å; K459-S463 PolarHBondContact O-N 3.34Å |
| 460 | V | 42.6 | Very low | 46.1 | Very low | 77 Ų | 77 | 109.1 Ų | 109.1 | 47% | 0.467 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.3 | -41.6 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | Q456 L457 S462 S463 L464 | Q456-V460 WeakPolarHBondContact O-CB 3.47Å; Q456-V460 VanDerWaalsContact O-CG2 3.25Å; Q456-V460 WeakPolarHBondContact O-CG2 3.29Å; Q456-V460 PolarHBondContact O-N 3.48Å; L457-V460 PolarHBondContact O-N 2.98Å; V460-S462 PolarHBondContact O-N 3.43Å; V460-S463 PolarHBondContact O-N 3.17Å; V460-S463 PolarHBondContact O-OG 3.3Å; V460-L464 HydrophobicContact CG1-CD1 3.92Å; V460-L464 PolarHBondContact O-N 3.41Å |
| 461 | C | 36.3 | Very low | 44.4 | Very low | 67 Ų | 67 | 114.9 Ų | 114.9 | 45% | 0.453 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.9 | -36 | 176.5 | -76.5 | 0 | 0 | 0 | 0 | 112.9 | L457 I458 S463 L464 L465 | L457-C461 VanDerWaalsContact O-CB 3.31Å; L457-C461 WeakPolarHBondContact O-CB 3.42Å; L457-C461 PolarHBondContact O-N 2.91Å; L457-C461 PolarHBondContact O-SG 3.25Å; L457-C461 VanDerWaalsContact O-SG 3.36Å; I458-C461 PolarHBondContact O-N 3.14Å; C461-S463 VanDerWaalsContact C-N 3.34Å; C461-L464 PolarHBondContact O-N 3.4Å; C461-L465 WeakPolarHBondContact O-CB 3.37Å; C461-L465 WeakPolarHBondContact O-CD1 3.45Å; C461-L465 WeakPolarHBondContact O-CG 3.47Å; C461-L465 PolarHBondContact O-N 3.29Å |
| 462 | S | 33 | Very low | 42.2 | Very low | 59 Ų | 59 | 120.3 Ų | 120.3 | 41% | 0.413 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.7 | -30.5 | 172.8 | 44.7 | 0 | 0 | 0 | 0 | 112.8 | I458 K459 V460 F466 | I458-S462 WeakPolarHBondContact O-CB 3.32Å; I458-S462 PolarHBondContact O-N 2.96Å; I458-S462 PolarHBondContact O-OG 3.45Å; K459-S462 VanDerWaalsContact CA-OG 3.29Å; K459-S462 WeakPolarHBondContact CA-OG 3.33Å; K459-S462 PolarHBondContact O-OG 3.39Å; V460-S462 PolarHBondContact O-N 3.43Å; S462-F466 PolarHBondContact O-N 3.3Å |
| 463 | S | 35.2 | Very low | 40 | Very low | 74 Ų | 74 | 121.1 Ų | 121.1 | 52% | 0.517 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.6 | -27.1 | 172.6 | 75.2 | 0 | 0 | 0 | 0 | 114.2 | K459 V460 C461 | K459-S463 PolarHBondContact O-N 3.34Å; V460-S463 PolarHBondContact O-N 3.17Å; V460-S463 PolarHBondContact O-OG 3.3Å; C461-S463 VanDerWaalsContact C-N 3.34Å |
| 464 | L | 32.3 | Very low | 38.4 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -83.9 | -28.1 | 178.2 | -76.7 | 162.5 | 0 | 0 | 0 | 113.1 | V460 C461 | V460-L464 HydrophobicContact CG1-CD1 3.92Å; V460-L464 PolarHBondContact O-N 3.41Å; C461-L464 PolarHBondContact O-N 3.4Å |
| 465 | L | 32.2 | Very low | 36.8 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -87.8 | -13.3 | -179.7 | -72.4 | 161.2 | 0 | 0 | 0 | 113.4 | C461 | C461-L465 WeakPolarHBondContact O-CB 3.37Å; C461-L465 WeakPolarHBondContact O-CD1 3.45Å; C461-L465 WeakPolarHBondContact O-CG 3.47Å; C461-L465 PolarHBondContact O-N 3.29Å |
| 466 | F | 28.8 | Very low | 35.2 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 50.1 | 175.2 | -66.5 | -78 | 0 | 0 | 0 | 112.9 | S462 | S462-F466 PolarHBondContact O-N 3.3Š|
| 467 | S | 26 | Very low | 34.7 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | trans | -107.2 | 72.5 | 161.6 | 179.4 | 0 | 0 | 0 | 0 | 110 | N469 | S467-N469 PolarHBondContact O-N 3.18Š| ||
| 468 | N | 27.1 | Very low | 34.6 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 68% | 0.684 | S | S | * | * | trans | -59.5 | 120.3 | 160.5 | -103.1 | -19.9 | 0 | 0 | 0 | 109 | ||||
| 469 | N | 27.6 | Very low | 34.7 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 35.1 | 87.9 | 153.3 | -66.1 | -26.4 | 0 | 0 | 0 | 116.3 | S467 | S467-N469 PolarHBondContact O-N 3.18Š|
| 470 | N | 27.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | trans | 172.6 | 70.4 | 141.2 | -84.9 | -25.5 | 0 | 0 | 0 | 111.8 | ||||
| 471 | H | 34 | Very low | 36.7 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 87% | 0.87 | 66% | 0.664 | S | S | * | * | trans | -144.1 | 101.5 | 152 | -90.9 | -63 | 0 | 0 | 0 | 110.8 | ||||
| 472 | K | 27.9 | Very low | 38.6 | Very low | 191 Ų | 191 | 124.2 Ų | 124.2 | 83% | 0.83 | 64% | 0.644 | S | S | * | * | trans | -60.4 | 134.7 | 158.9 | -73.4 | 172.1 | 174.2 | 173.1 | 0 | 108.5 | ||||
| 473 | N | 25.3 | Very low | 40.9 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | 68.1 | 86 | 152.7 | -57.8 | -10.8 | 0 | 0 | 0 | 118.6 | ||||
| 474 | T | 31.1 | Very low | 43.2 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 72% | 0.718 | 63% | 0.625 | S | S | * | * | trans | -127 | 94 | 133.4 | 48.4 | 0 | 0 | 0 | 0 | 108.1 | L476 | T474-L476 PolarHBondContact O-N 3.28Š| ||
| 475 | H | 32.3 | Very low | 45.6 | Very low | 178 Ų | 178 | 122.3 Ų | 122.3 | 82% | 0.824 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 12.7 | -176.8 | -115.2 | -82.5 | 0 | 0 | 0 | 114.3 | ||
| 476 | L | 35.4 | Very low | 48.1 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 81% | 0.806 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -11.6 | -167 | -96.8 | 112.2 | 0 | 0 | 0 | 116.7 | T474 | T474-L476 PolarHBondContact O-N 3.28Š|
| 477 | E | 48.8 | Very low | 50.6 | Low | 143 Ų | 143 | 112.8 Ų | 112.8 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -96 | -16.8 | -171.4 | -73.3 | -170 | 147.3 | 0 | 0 | 116.3 | S480 | E477-S480 PolarHBondContact O-OG 2.85Š|
| 478 | K | 44.6 | Very low | 53.2 | Low | 184 Ų | 184 | 111.7 Ų | 111.7 | 80% | 0.8 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -24.1 | -175.1 | -82.2 | -175.2 | 176.7 | 178.4 | 0 | 114.7 | ||
| 479 | D | 52.4 | Low | 55.7 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 66% | 0.663 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.9 | -177.6 | -74.7 | -34.5 | 0 | 0 | 0 | 114.1 | K483 | D479-K483 IonicContact OD1-NZ 3.68Š|
| 480 | S | 61 | Low | 57.8 | Low | 38 Ų | 38 | 108.9 Ų | 108.9 | 27% | 0.266 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -96.2 | -0.1 | -178.7 | 51.3 | 0 | 0 | 0 | 0 | 115.5 | E477 P512 | E477-S480 PolarHBondContact O-OG 2.85Å; S480-P512 WeakPolarHBondContact O-CG 3.43Å |
| 481 | L | 71.1 | Confident | 59.6 | Low | 66 Ų | 66 | 103.3 Ų | 103.3 | 35% | 0.346 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -102.5 | 142.4 | -175.3 | -66.7 | 161.3 | 0 | 0 | 0 | 111.5 | K483 Y602 K637 | L481-K483 PolarHBondContact O-N 3.34Å; L481-Y602 VanDerWaalsContact CD2-OH 3.25Å; L481-Y602 WeakPolarHBondContact CD2-OH 3.3Å; L481-K637 HydrophobicContact CD2-CD 4.4Å |
| 482 | P | 77.5 | Confident | 60.7 | Low | 5 Ų | 5 | 99.6 Ų | 99.6 | 3% | 0.032 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 132.1 | 168.3 | -19.8 | 31.8 | 0 | 0 | 0 | 110.4 | E510 F511 F520 L600 Y602 | P482-E510 CarbonylContact C-O 3.2Å; P482-E510 WeakPolarHBondContact CA-O 3.36Å; P482-F511 HydrophobicContact CB-CD1 4.16Å; P482-F511 HydrophobicContact CB-CE1 4.28Å; P482-F511 HydrophobicContact CG-CD1 4.06Å; P482-F511 HydrophobicContact CG-CE1 4.17Å; P482-F520 HydrophobicContact CG-CE1 4.22Å; P482-L600 HydrophobicContact CB-CD2 4.03Å; P482-Y602 VanDerWaalsContact CD-CZ 3.5Å; P482-Y602 WeakPolarHBondContact CD-OH 3.34Å; P482-Y602 HydrophobicContact CG-CD1 3.96Å; P482-Y602 HydrophobicContact CG-CD2 4.43Å; P482-Y602 HydrophobicContact CG-CE1 3.68Å; P482-Y602 HydrophobicContact CG-CE2 4.17Å; P482-Y602 HydrophobicContact CG-CG 4.32Å |
| 483 | K | 80.2 | Confident | 61.7 | Low | 98 Ų | 98 | 95.2 Ų | 95.2 | 43% | 0.426 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.4 | -179.6 | -66.3 | 178.1 | -177.7 | 172.6 | 0 | 109.5 | D479 L481 E510 | D479-K483 IonicContact OD1-NZ 3.68Å; L481-K483 PolarHBondContact O-N 3.34Å; K483-E510 HydrophobicContact CB-CB 4.39Å; K483-E510 PolarHBondContact N-O 3.09Å; K483-E510 PolarHBondContact O-N 3.44Å |
| 484 | L | 83 | Confident | 63 | Low | 20 Ų | 20 | 98.1 Ų | 98.1 | 11% | 0.105 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.9 | 173.7 | -159.1 | 104.2 | 0 | 0 | 0 | 109.3 | T486 I507 I509 L525 L598 L600 H641 | L484-T486 HydrophobicContact CD2-CG2 3.67Å; L484-T486 HydrophobicContact CG-CG2 4.29Å; L484-I507 HydrophobicContact CD1-CG2 3.87Å; L484-I507 HydrophobicContact CD2-CG2 4.46Å; L484-I507 HydrophobicContact CG-CG2 4.09Å; L484-I509 HydrophobicContact CD1-CD1 4.41Å; L484-I509 HydrophobicContact CD1-CG1 3.91Å; L484-L525 HydrophobicContact CD1-CD1 4.21Å; L484-L598 HydrophobicContact CD2-CB 4.13Å; L484-L598 HydrophobicContact CD2-CD1 3.74Å; L484-L600 HydrophobicContact CD1-CB 4.37Å; L484-L600 HydrophobicContact CD1-CD2 4.45Å; L484-H641 HydrophobicContact CD2-CB 3.38Å |
| 485 | K | 83.6 | Confident | 63.5 | Low | 105 Ų | 105 | 100.2 Ų | 100.2 | 46% | 0.457 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.6 | 173.8 | -74.4 | 169.6 | -178.3 | 157.8 | 0 | 108.4 | D508 E510 | K485-D508 HydrophobicContact CB-CB 3.87Å; K485-D508 PolarHBondContact N-O 2.84Å; K485-D508 PolarHBondContact O-N 2.9Å; K485-E510 IonicContact NZ-OE2 2.93Å; K485-E510 PolarHBondContact NZ-OE2 2.9Å |
| 486 | T | 84 | Confident | 63.9 | Low | 46 Ų | 46 | 96.9 Ų | 96.9 | 28% | 0.282 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136.9 | -173.3 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | L484 D506 I507 L598 H641 I643 | L484-T486 HydrophobicContact CD2-CG2 3.67Å; L484-T486 HydrophobicContact CG-CG2 4.29Å; T486-D506 CarbonylContact C-O 3.59Å; T486-D506 WeakPolarHBondContact CA-O 3.33Å; T486-I507 HydrophobicContact CG2-CG1 4.29Å; T486-I507 HydrophobicContact CG2-CG2 4.43Å; T486-L598 HydrophobicContact CG2-CD1 3.64Å; T486-H641 PolarHBondContact OG1-NE2 3.49Å; T486-I643 HydrophobicContact CG2-CD1 3.83Å; T486-I643 HydrophobicContact CG2-CG1 4.42Å |
| 487 | S | 82 | Confident | 64.2 | Low | 63 Ų | 63 | 96.1 Ų | 96.1 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.7 | 172.8 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | I505 D506 | S487-I505 CarbonylContact O-C 3.58Å; S487-D506 PolarHBondContact N-O 2.96Å; S487-D506 PolarHBondContact O-N 3.37Å |
| 488 | I | 80.3 | Confident | 64 | Low | 64 Ų | 64 | 96.1 Ų | 96.1 | 33% | 0.328 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.8 | 178.5 | -56.4 | 164.8 | 0 | 0 | 0 | 108.5 | C503 Y504 I643 L645 | I488-C503 HydrophobicContact CG2-CB 4.14Å; I488-Y504 CarbonylContact C-O 3.57Å; I488-Y504 WeakPolarHBondContact CA-O 3.49Å; I488-I643 HydrophobicContact CD1-CG2 3.65Å; I488-I643 HydrophobicContact CG1-CG2 4.02Å; I488-L645 HydrophobicContact CD1-CD2 4.16Å |
| 489 | R | 79 | Confident | 64.4 | Low | 116 Ų | 116 | 92.8 Ų | 92.8 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.9 | 168.9 | -67.6 | -174.7 | -71.9 | 135 | -4.7 | 109.5 | C503 Y504 D506 T566 | R489-C503 WeakPolarHBondContact O-CA 3.43Å; R489-C503 WeakPolarHBondContact O-CB 3.38Å; R489-Y504 PolarHBondContact N-O 3.41Å; R489-Y504 PolarHBondContact O-N 3.27Å; R489-D506 VanDerWaalsContact CD-OD2 3.27Å; R489-D506 WeakPolarHBondContact CD-OD2 3.12Å; R489-D506 WeakPolarHBondContact CG-OD2 3.44Å; R489-D506 IonicContact CZ-OD1 2.66Å; R489-D506 IonicContact CZ-OD2 2.93Å; R489-D506 VanDerWaalsContact NE-CG 3.33Å; R489-D506 IonicContact NE-OD1 3.1Å; R489-D506 PolarHBondContact NE-OD1 3.25Å; R489-D506 IonicContact NE-OD2 2.65Å; R489-D506 PolarHBondContact NE-OD2 2.9Å; R489-D506 IonicContact NH2-OD1 2.86Å; R489-D506 PolarHBondContact NH2-OD1 3.02Å; R489-D506 IonicContact NH2-OD2 3.09Å; R489-T566 VanDerWaalsContact NH2-CG2 3.29Å; R489-T566 PolarHBondContact NH2-OG1 3.11Å |
| 490 | L | 72.5 | Confident | 64.8 | Low | 107 Ų | 107 | 89.5 Ų | 89.5 | 56% | 0.56 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 140.1 | 175.1 | -63.3 | 172.3 | 0 | 0 | 0 | 109.7 | S492 C503 L649 | L490-S492 PolarHBondContact O-N 3.44Å; L490-C503 HydrophobicContact CD2-CB 4.24Å; L490-L649 HydrophobicContact CD2-CD2 3.82Å |
| 491 | N | 65.7 | Low | 65.3 | Low | 31 Ų | 31 | 90.2 Ų | 90.2 | 17% | 0.166 | 46% | 0.462 | C | S | . | . | trans | -67.3 | 115.2 | 174.7 | -169.5 | -7.2 | 0 | 0 | 0 | 109.6 | N493 Y504 | N491-N493 VanDerWaalsContact C-N 3.34Å; N491-N493 PolarHBondContact OD1-N 2.85Å; N491-N493 VanDerWaalsContact OD1-N 3.15Å; N491-Y504 HydrophobicContact CB-CE2 4.34Å | ||
| 492 | S | 56.2 | Low | 65.4 | Low | 109 Ų | 109 | 88.2 Ų | 88.2 | 76% | 0.762 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -77.9 | -18.1 | -178.6 | 54 | 0 | 0 | 0 | 0 | 113.2 | L490 R494 | L490-S492 PolarHBondContact O-N 3.44Å; S492-R494 PolarHBondContact O-N 2.77Å |
| 493 | N | 50.7 | Low | 65.5 | Low | 100 Ų | 100 | 88 Ų | 88 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | trans | -98.3 | 65.3 | -174 | -72.6 | -3.5 | 0 | 0 | 0 | 111.7 | N491 L495 | N491-N493 VanDerWaalsContact C-N 3.34Å; N491-N493 PolarHBondContact OD1-N 2.85Å; N491-N493 VanDerWaalsContact OD1-N 3.15Å; N493-L495 PolarHBondContact O-N 2.56Å | ||
| 494 | R | 50.7 | Low | 65.6 | Low | 192 Ų | 192 | 85.6 Ų | 85.6 | 73% | 0.725 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 9.2 | 171.4 | -73 | -171.1 | 176.2 | -167 | -4.3 | 114.4 | S492 | S492-R494 PolarHBondContact O-N 2.77Š|
| 495 | L | 42 | Very low | 65.7 | Low | 161 Ų | 161 | 84.7 Ų | 84.7 | 84% | 0.843 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -10.2 | -172.2 | -76.3 | 161.4 | 0 | 0 | 0 | 114.1 | N493 | N493-L495 PolarHBondContact O-N 2.56Š|
| 496 | N | 40.4 | Very low | 65.8 | Low | 108 Ų | 108 | 81 Ų | 81 | 58% | 0.578 | 42% | 0.42 | S | S | * | . | trans | -98.7 | 117.7 | 171.8 | -74.2 | -4 | 0 | 0 | 0 | 109.1 | D498 | N496-D498 PolarHBondContact O-N 2.82Å; N496-D498 VanDerWaalsContact O-N 3.13Å | ||
| 497 | T | 42.5 | Very low | 65.9 | Low | 139 Ų | 139 | 78.8 Ų | 78.8 | 85% | 0.853 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 0.6 | -166.9 | 41.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 498 | D | 45.8 | Very low | 66 | Low | 143 Ų | 143 | 77.7 Ų | 77.7 | 77% | 0.765 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 3.7 | -168.3 | -64.9 | -20.9 | 0 | 0 | 0 | 115.1 | N496 | N496-D498 PolarHBondContact O-N 2.82Å; N496-D498 VanDerWaalsContact O-N 3.13Å |
| 499 | E | 52.3 | Low | 66.3 | Low | 113 Ų | 113 | 74.7 Ų | 74.7 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | trans | -109.6 | 111.2 | -175.9 | -67.1 | -173.7 | -178.7 | 0 | 0 | 113.3 | E501 | E499-E501 PolarHBondContact O-N 2.72Å; E499-E501 VanDerWaalsContact O-N 3.09Å | ||
| 500 | N | 61.4 | Low | 66.5 | Low | 55 Ų | 55 | 72.1 Ų | 72.1 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -72.3 | 10 | -178 | -74 | -27.5 | 0 | 0 | 0 | 115.1 | Y570 K574 | N500-Y570 HydrophobicContact CB-CD1 4.11Å; N500-Y570 WeakPolarHBondContact O-CD1 3.47Å; N500-K574 PolarHBondContact ND2-O 2.79Å; N500-K574 VanDerWaalsContact ND2-O 3.13Å; N500-K574 PolarHBondContact OD1-O 2.8Å | ||
| 501 | E | 70.5 | Confident | 66.9 | Low | 53 Ų | 53 | 67.5 Ų | 67.5 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 116.4 | -170.9 | -65.2 | -173.3 | 171.1 | 0 | 0 | 111.8 | E499 Y504 Y570 | E499-E501 PolarHBondContact O-N 2.72Å; E499-E501 VanDerWaalsContact O-N 3.09Å; E501-Y504 WeakPolarHBondContact OE2-CE1 3.4Å; E501-Y504 VanDerWaalsContact OE2-CZ 3.27Å; E501-Y504 PolarHBondContact OE2-OH 2.95Å; E501-Y570 HydrophobicContact CB-CE1 4.46Å; E501-Y570 HydrophobicContact CG-CD1 4.06Å; E501-Y570 HydrophobicContact CG-CE1 3.36Å; E501-Y570 PolarHBondContact OE1-OH 3.2Å |
| 502 | L | 73.2 | Confident | 67.5 | Low | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -53.5 | -178.3 | -66.3 | 175 | 0 | 0 | 0 | 112.4 | C569 N571 L649 F650 | L502-C569 WeakPolarHBondContact CB-O 3.47Å; L502-C569 PolarHBondContact N-O 3.35Å; L502-N571 HydrophobicContact CD1-CB 3.85Å; L502-N571 HydrophobicContact CD2-CB 4.13Å; L502-N571 HydrophobicContact CG-CB 4.12Å; L502-L649 HydrophobicContact CB-CD2 4.44Å; L502-L649 WeakPolarHBondContact CD2-O 3.43Å; L502-F650 HydrophobicContact CD1-CD1 4.43Å; L502-F650 HydrophobicContact CD1-CE1 3.57Å; L502-F650 HydrophobicContact CD1-CE2 3.76Å; L502-F650 HydrophobicContact CD1-CZ 3.15Å |
| 503 | C | 78.7 | Confident | 68.2 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 164.9 | -177.6 | 67.7 | 0 | 0 | 0 | 0 | 111 | I488 R489 L490 C569 L649 | I488-C503 HydrophobicContact CG2-CB 4.14Å; R489-C503 WeakPolarHBondContact O-CA 3.43Å; R489-C503 WeakPolarHBondContact O-CB 3.38Å; L490-C503 HydrophobicContact CD2-CB 4.24Å; C503-C569 WeakPolarHBondContact O-CB 3.39Å; C503-C569 PolarHBondContact O-N 2.57Å; C503-C569 VanDerWaalsContact SG-CB 3.51Å; C503-L649 HydrophobicContact CB-CD1 4.27Å; C503-L649 HydrophobicContact CB-CD2 4.5Å |
| 504 | Y | 83.2 | Confident | 69.2 | Low | 47 Ų | 47 | 67.7 Ų | 67.7 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.2 | 175.2 | -52.4 | -87.6 | 0 | 0 | 0 | 109.5 | I488 R489 N491 E501 T566 L567 T568 | I488-Y504 CarbonylContact C-O 3.57Å; I488-Y504 WeakPolarHBondContact CA-O 3.49Å; R489-Y504 PolarHBondContact N-O 3.41Å; R489-Y504 PolarHBondContact O-N 3.27Å; N491-Y504 HydrophobicContact CB-CE2 4.34Å; E501-Y504 WeakPolarHBondContact OE2-CE1 3.4Å; E501-Y504 VanDerWaalsContact OE2-CZ 3.27Å; E501-Y504 PolarHBondContact OE2-OH 2.95Å; Y504-T566 HydrophobicContact CD1-CG2 4.09Å; Y504-T566 HydrophobicContact CG-CG2 4.34Å; Y504-L567 CarbonylContact C-O 3.56Å; Y504-L567 VanDerWaalsContact CA-O 3.3Å; Y504-L567 WeakPolarHBondContact CA-O 3.46Å; Y504-T568 HydrophobicContact CD1-CG2 3.56Å; Y504-T568 HydrophobicContact CE1-CG2 3.55Å |
| 505 | I | 84.9 | Confident | 70.2 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 107.2 | 174.8 | -57.8 | 174.6 | 0 | 0 | 0 | 107.5 | S487 I507 T566 L567 V596 I643 L645 | S487-I505 CarbonylContact O-C 3.58Å; I505-I507 HydrophobicContact CG2-CD1 4.34Å; I505-I507 HydrophobicContact CG2-CG1 3.95Å; I505-T566 CarbonylContact O-C 3.53Å; I505-T566 WeakPolarHBondContact O-CA 3.47Å; I505-L567 HydrophobicContact CB-CB 4.31Å; I505-L567 PolarHBondContact N-O 3.48Å; I505-L567 PolarHBondContact O-N 3.34Å; I505-V596 HydrophobicContact CD1-CB 4.45Å; I505-V596 HydrophobicContact CD1-CG1 4.05Å; I505-V596 HydrophobicContact CD1-CG2 4.32Å; I505-I643 HydrophobicContact CD1-CD1 4.47Å; I505-I643 HydrophobicContact CG2-CD1 3.44Å; I505-I643 VanDerWaalsContact CG2-CD1 3.44Å; I505-L645 HydrophobicContact CD1-CD2 4.48Å |
| 506 | D | 86 | Confident | 71.4 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.6 | 172.4 | -53 | -46.1 | 0 | 0 | 0 | 109.6 | T486 S487 R489 Y565 T566 | T486-D506 CarbonylContact C-O 3.59Å; T486-D506 WeakPolarHBondContact CA-O 3.33Å; S487-D506 PolarHBondContact N-O 2.96Å; S487-D506 PolarHBondContact O-N 3.37Å; R489-D506 VanDerWaalsContact CD-OD2 3.27Å; R489-D506 WeakPolarHBondContact CD-OD2 3.12Å; R489-D506 WeakPolarHBondContact CG-OD2 3.44Å; R489-D506 IonicContact CZ-OD1 2.66Å; R489-D506 IonicContact CZ-OD2 2.93Å; R489-D506 VanDerWaalsContact NE-CG 3.33Å; R489-D506 IonicContact NE-OD1 3.1Å; R489-D506 PolarHBondContact NE-OD1 3.25Å; R489-D506 IonicContact NE-OD2 2.65Å; R489-D506 PolarHBondContact NE-OD2 2.9Å; R489-D506 IonicContact NH2-OD1 2.86Å; R489-D506 PolarHBondContact NH2-OD1 3.02Å; R489-D506 IonicContact NH2-OD2 3.09Å; D506-Y565 CarbonylContact C-O 3.51Å; D506-Y565 WeakPolarHBondContact CA-O 3.47Å; D506-T566 WeakPolarHBondContact OD1-CG2 3.34Å; D506-T566 PolarHBondContact OD1-OG1 3.32Å |
| 507 | I | 86.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 119.6 | -174.5 | -56 | 178.3 | 0 | 0 | 0 | 108.3 | L484 T486 I505 I509 L525 S564 Y565 L567 L598 | L484-I507 HydrophobicContact CD1-CG2 3.87Å; L484-I507 HydrophobicContact CD2-CG2 4.46Å; L484-I507 HydrophobicContact CG-CG2 4.09Å; T486-I507 HydrophobicContact CG2-CG1 4.29Å; T486-I507 HydrophobicContact CG2-CG2 4.43Å; I505-I507 HydrophobicContact CG2-CD1 4.34Å; I505-I507 HydrophobicContact CG2-CG1 3.95Å; I507-I509 HydrophobicContact CG2-CG1 4.05Å; I507-L525 HydrophobicContact CD1-CD2 3.72Å; I507-L525 HydrophobicContact CG2-CD2 4.23Å; I507-S564 CarbonylContact O-C 3.52Å; I507-S564 VanDerWaalsContact O-CA 3.29Å; I507-S564 WeakPolarHBondContact O-CA 3.39Å; I507-Y565 PolarHBondContact N-O 3.4Å; I507-Y565 PolarHBondContact O-N 2.83Å; I507-L567 HydrophobicContact CD1-CD1 3.33Å; I507-L567 HydrophobicContact CD1-CD2 4.46Å; I507-L567 HydrophobicContact CD1-CG 3.66Å; I507-L598 HydrophobicContact CD1-CD1 3.57Å; I507-L598 HydrophobicContact CD1-CD2 3.76Å; I507-L598 HydrophobicContact CD1-CG 4.33Å; I507-L598 HydrophobicContact CG1-CD1 4.02Å |
| 508 | D | 84.9 | Confident | 74 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.3 | 176.6 | -84.3 | -20.4 | 0 | 0 | 0 | 109.4 | K485 K562 Y563 S564 | K485-D508 HydrophobicContact CB-CB 3.87Å; K485-D508 PolarHBondContact N-O 2.84Å; K485-D508 PolarHBondContact O-N 2.9Å; D508-K562 VanDerWaalsContact CG-NZ 3.25Å; D508-K562 VanDerWaalsContact OD1-CE 3.31Å; D508-K562 WeakPolarHBondContact OD1-CE 3.39Å; D508-K562 IonicContact OD1-NZ 2.8Å; D508-K562 PolarHBondContact OD1-NZ 3.1Å; D508-K562 WeakPolarHBondContact OD2-CE 3.14Å; D508-K562 IonicContact OD2-NZ 3.54Å; D508-K562 PolarHBondContact OD2-NZ 2.88Å; D508-Y563 CarbonylContact C-O 3.59Å; D508-Y563 WeakPolarHBondContact CA-O 3.37Å; D508-S564 WeakPolarHBondContact OD1-CB 3.45Å; D508-S564 PolarHBondContact OD1-OG 3.22Å |
| 509 | I | 84.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 113.8 | 178.3 | -52.3 | 176.7 | 0 | 0 | 0 | 108.3 | L484 I507 F511 I542 K562 Y563 Y565 L600 | L484-I509 HydrophobicContact CD1-CD1 4.41Å; L484-I509 HydrophobicContact CD1-CG1 3.91Å; I507-I509 HydrophobicContact CG2-CG1 4.05Å; I509-F511 HydrophobicContact CG2-CD2 4.36Å; I509-F511 HydrophobicContact CG2-CE2 3.8Å; I509-F511 HydrophobicContact CG2-CZ 4.04Å; I509-I542 HydrophobicContact CD1-CD1 3.36Å; I509-K562 CarbonylContact O-C 3.58Å; I509-K562 VanDerWaalsContact O-CA 3.31Å; I509-K562 WeakPolarHBondContact O-CA 3.45Å; I509-Y563 PolarHBondContact N-O 3.07Å; I509-Y563 PolarHBondContact O-N 3.08Å; I509-Y565 HydrophobicContact CD1-CD2 4.19Å; I509-Y565 HydrophobicContact CD1-CE2 4.11Å; I509-L600 HydrophobicContact CD1-CD1 4.02Å; I509-L600 HydrophobicContact CG2-CD2 3.9Å |
| 510 | E | 83.9 | Confident | 76.5 | Confident | 62 Ų | 62 | 47 Ų | 47 | 29% | 0.29 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.9 | -178 | -171.4 | 175.4 | -177.8 | 0 | 0 | 110.1 | P482 K483 K485 Y561 | P482-E510 CarbonylContact C-O 3.2Å; P482-E510 WeakPolarHBondContact CA-O 3.36Å; K483-E510 HydrophobicContact CB-CB 4.39Å; K483-E510 PolarHBondContact N-O 3.09Å; K483-E510 PolarHBondContact O-N 3.44Å; K485-E510 IonicContact NZ-OE2 2.93Å; K485-E510 PolarHBondContact NZ-OE2 2.9Å; E510-Y561 WeakPolarHBondContact CA-O 3.37Å |
| 511 | F | 80.7 | Confident | 77.1 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | trans | -83.2 | 147.6 | 177 | -70.4 | -85.7 | 0 | 0 | 0 | 111.4 | P482 I509 K513 F520 V523 Y561 Y563 | P482-F511 HydrophobicContact CB-CD1 4.16Å; P482-F511 HydrophobicContact CB-CE1 4.28Å; P482-F511 HydrophobicContact CG-CD1 4.06Å; P482-F511 HydrophobicContact CG-CE1 4.17Å; I509-F511 HydrophobicContact CG2-CD2 4.36Å; I509-F511 HydrophobicContact CG2-CE2 3.8Å; I509-F511 HydrophobicContact CG2-CZ 4.04Å; F511-K513 PolarHBondContact O-N 3.16Å; F511-F520 HydrophobicContact CD1-CB 4.4Å; F511-F520 HydrophobicContact CD1-CD1 4.31Å; F511-F520 AromaticContact CD1-CD2 3.94Å; F511-F520 HydrophobicContact CD1-CD2 3.94Å; F511-F520 HydrophobicContact CD1-CE2 4.25Å; F511-F520 AromaticContact CD1-CG 3.97Å; F511-F520 HydrophobicContact CD1-CG 3.97Å; F511-F520 HydrophobicContact CE1-CB 4.05Å; F511-F520 HydrophobicContact CE1-CD1 4.35Å; F511-F520 HydrophobicContact CE1-CD2 4.43Å; F511-F520 HydrophobicContact CE1-CG 4.04Å; F511-V523 HydrophobicContact CE1-CG2 4.34Å; F511-V523 HydrophobicContact CZ-CG1 4.03Å; F511-V523 HydrophobicContact CZ-CG2 4.28Å; F511-Y561 PolarHBondContact N-O 3.49Å; F511-Y563 HydrophobicContact CD2-CD2 4.09Å; F511-Y563 HydrophobicContact CD2-CE2 4.15Å; F511-Y563 AromaticContact CE2-CD2 3.72Å; F511-Y563 HydrophobicContact CE2-CD2 3.72Å; F511-Y563 AromaticContact CE2-CE2 3.84Å; F511-Y563 HydrophobicContact CE2-CE2 3.84Å | ||
| 512 | P | 78.4 | Confident | 77.6 | Confident | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | trans | -60.9 | 127.9 | 177 | -16.4 | 27.4 | 0 | 0 | 0 | 111.2 | S480 A514 Y515 F520 | S480-P512 WeakPolarHBondContact O-CG 3.43Å; P512-A514 PolarHBondContact O-N 3.45Å; P512-A514 VanDerWaalsContact O-N 3.09Å; P512-Y515 HydrophobicContact CB-CD2 4.09Å; P512-Y515 HydrophobicContact CG-CD2 4.45Å; P512-Y515 PolarHBondContact O-N 2.84Å; P512-F520 HydrophobicContact CG-CZ 4.33Å | ||
| 513 | K | 72.4 | Confident | 78 | Confident | 148 Ų | 148 | 48 Ų | 48 | 64% | 0.643 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.2 | 178.8 | -64.6 | -175.6 | -179.6 | 179.5 | 0 | 113.9 | F511 Y515 Y561 | F511-K513 PolarHBondContact O-N 3.16Å; K513-Y515 VanDerWaalsContact C-N 3.27Å; K513-Y515 PolarHBondContact O-N 2.93Å; K513-Y561 HydrophobicContact CG-CD1 4.39Å; K513-Y561 HydrophobicContact CG-CD2 3.92Å; K513-Y561 HydrophobicContact CG-CE2 4.28Å; K513-Y561 HydrophobicContact CG-CG 3.97Å |
| 514 | A | 69.9 | Low | 78.5 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 68% | 0.678 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P512 | P512-A514 PolarHBondContact O-N 3.45Å; P512-A514 VanDerWaalsContact O-N 3.09Å |
| 515 | Y | 72.3 | Confident | 78.6 | Confident | 82 Ų | 82 | 49 Ų | 49 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -126.3 | 133.6 | -171.4 | -60.7 | -64.6 | 0 | 0 | 0 | 111.2 | P512 K513 F520 F604 | P512-Y515 HydrophobicContact CB-CD2 4.09Å; P512-Y515 HydrophobicContact CG-CD2 4.45Å; P512-Y515 PolarHBondContact O-N 2.84Å; K513-Y515 VanDerWaalsContact C-N 3.27Å; K513-Y515 PolarHBondContact O-N 2.93Å; Y515-F520 HydrophobicContact CD2-CZ 4.27Å; Y515-F604 AromaticContact CD1-CE2 3.93Å; Y515-F604 HydrophobicContact CD1-CE2 3.93Å; Y515-F604 AromaticContact CD1-CZ 3.85Å; Y515-F604 HydrophobicContact CD1-CZ 3.85Å; Y515-F604 HydrophobicContact CD2-CE2 4.19Å; Y515-F604 HydrophobicContact CD2-CZ 4.47Å; Y515-F604 HydrophobicContact CE1-CE2 4.34Å; Y515-F604 AromaticContact CE1-CZ 3.83Å; Y515-F604 HydrophobicContact CE1-CZ 3.83Å; Y515-F604 HydrophobicContact CE2-CZ 4.47Å; Y515-F604 AromaticContact CG-CE2 3.85Å; Y515-F604 HydrophobicContact CG-CE2 3.85Å; Y515-F604 HydrophobicContact CG-CZ 4.19Å |
| 516 | P | 68.1 | Low | 78.8 | Confident | 50 Ų | 50 | 51 Ų | 51 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | trans | -68.9 | 143.4 | 176.6 | 25.6 | -30 | 0 | 0 | 0 | 110.9 | K518 Q519 L607 | P516-K518 PolarHBondContact O-N 2.83Å; P516-Q519 HydrophobicContact CG-CG 4.01Å; P516-Q519 WeakPolarHBondContact O-CB 3.22Å; P516-Q519 PolarHBondContact O-N 3.23Å; P516-L607 HydrophobicContact CG-CD1 4.09Å | ||
| 517 | K | 66.3 | Low | 78.8 | Confident | 81 Ų | 81 | 50 Ų | 50 | 35% | 0.352 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -46.3 | -38.3 | -178.7 | -67.3 | -173.2 | 179.8 | -168.2 | 0 | 114.5 | Q519 F520 S560 Y563 | K517-Q519 PolarHBondContact O-N 2.89Å; K517-Q519 VanDerWaalsContact O-N 3.08Å; K517-F520 CarbonylContact O-C 3.57Å; K517-F520 PolarHBondContact O-N 3.25Å; K517-F520 VanDerWaalsContact O-O 3.14Å; K517-S560 WeakPolarHBondContact CE-O 3.48Å; K517-S560 PolarHBondContact NZ-O 3.1Å; K517-Y563 PolarHBondContact NZ-OH 3.46Å |
| 518 | K | 70.8 | Confident | 78.6 | Confident | 188 Ų | 188 | 54.5 Ų | 54.5 | 82% | 0.817 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -59.8 | -20.4 | -178.4 | -62.9 | -172 | -179.6 | -174.6 | 0 | 113.5 | P516 F520 | P516-K518 PolarHBondContact O-N 2.83Å; K518-F520 VanDerWaalsContact C-N 3.3Å |
| 519 | Q | 74.3 | Confident | 78.4 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -73.7 | -23.3 | 173.7 | -68.3 | -174.8 | -11.5 | 0 | 0 | 112.6 | P516 K517 F604 T605 L607 | P516-Q519 HydrophobicContact CG-CG 4.01Å; P516-Q519 WeakPolarHBondContact O-CB 3.22Å; P516-Q519 PolarHBondContact O-N 3.23Å; K517-Q519 PolarHBondContact O-N 2.89Å; K517-Q519 VanDerWaalsContact O-N 3.08Å; Q519-F604 HydrophobicContact CB-CD2 4.15Å; Q519-F604 HydrophobicContact CB-CE2 4.01Å; Q519-F604 CarbonylContact O-C 3.54Å; Q519-F604 VanDerWaalsContact O-CA 3.25Å; Q519-F604 WeakPolarHBondContact O-CA 3.38Å; Q519-F604 VanDerWaalsContact OE1-CE2 3.27Å; Q519-T605 WeakPolarHBondContact CA-OG1 2.94Å; Q519-T605 WeakPolarHBondContact CB-O 3.37Å; Q519-T605 WeakPolarHBondContact CG-O 3.21Å; Q519-T605 PolarHBondContact O-N 2.75Å; Q519-T605 PolarHBondContact O-OG1 2.74Å; Q519-T605 VanDerWaalsContact O-OG1 3.06Å; Q519-L607 HydrophobicContact CG-CD1 3.99Å; Q519-L607 HydrophobicContact CG-CG 4.13Å; Q519-L607 VanDerWaalsContact NE2-CB 3.32Å |
| 520 | F | 74.9 | Confident | 78.1 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 91.7 | 175.2 | -58.4 | -84.9 | 0 | 0 | 0 | 108.6 | P482 F511 P512 Y515 K517 K518 V523 Y602 T603 F604 | P482-F520 HydrophobicContact CG-CE1 4.22Å; F511-F520 HydrophobicContact CD1-CB 4.4Å; F511-F520 HydrophobicContact CD1-CD1 4.31Å; F511-F520 AromaticContact CD1-CD2 3.94Å; F511-F520 HydrophobicContact CD1-CD2 3.94Å; F511-F520 HydrophobicContact CD1-CE2 4.25Å; F511-F520 AromaticContact CD1-CG 3.97Å; F511-F520 HydrophobicContact CD1-CG 3.97Å; F511-F520 HydrophobicContact CE1-CB 4.05Å; F511-F520 HydrophobicContact CE1-CD1 4.35Å; F511-F520 HydrophobicContact CE1-CD2 4.43Å; F511-F520 HydrophobicContact CE1-CG 4.04Å; P512-F520 HydrophobicContact CG-CZ 4.33Å; Y515-F520 HydrophobicContact CD2-CZ 4.27Å; K517-F520 CarbonylContact O-C 3.57Å; K517-F520 PolarHBondContact O-N 3.25Å; K517-F520 VanDerWaalsContact O-O 3.14Å; K518-F520 VanDerWaalsContact C-N 3.3Å; F520-V523 HydrophobicContact CB-CG2 3.82Å; F520-V523 WeakPolarHBondContact O-CG2 3.23Å; F520-Y602 AromaticContact CD1-CD2 3.69Å; F520-Y602 HydrophobicContact CD1-CD2 3.69Å; F520-Y602 HydrophobicContact CD1-CE2 4.23Å; F520-Y602 HydrophobicContact CD1-CG 4.34Å; F520-Y602 HydrophobicContact CE1-CD2 4.1Å; F520-Y602 HydrophobicContact CE1-CE2 4.16Å; F520-T603 CarbonylContact C-O 3.56Å; F520-T603 VanDerWaalsContact CA-O 3.27Å; F520-T603 WeakPolarHBondContact CA-O 3.38Å; F520-F604 HydrophobicContact CD1-CB 4.34Å; F520-F604 AromaticContact CD1-CD2 3.94Å; F520-F604 HydrophobicContact CD1-CD2 3.94Å; F520-F604 HydrophobicContact CE1-CB 4.3Å; F520-F604 AromaticContact CE1-CD2 3.49Å; F520-F604 HydrophobicContact CE1-CD2 3.49Å; F520-F604 VanDerWaalsContact CE1-CD2 3.49Å; F520-F604 HydrophobicContact CE1-CE2 4.23Å; F520-F604 HydrophobicContact CE1-CG 4.25Å; F520-F604 HydrophobicContact CE2-CD2 4.27Å; F520-F604 HydrophobicContact CE2-CE2 4.4Å; F520-F604 HydrophobicContact CG-CD2 4.5Å; F520-F604 AromaticContact CZ-CD2 3.67Å; F520-F604 HydrophobicContact CZ-CD2 3.67Å; F520-F604 AromaticContact CZ-CE2 3.94Å; F520-F604 HydrophobicContact CZ-CE2 3.94Å |
| 521 | N | 75.3 | Confident | 77.6 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 126.4 | 179.5 | -170.9 | 17.9 | 0 | 0 | 0 | 110.8 | S543 T603 | N521-S543 VanDerWaalsContact OD1-CB 3.32Å; N521-S543 WeakPolarHBondContact OD1-CB 3.39Å; N521-T603 PolarHBondContact N-O 3Å; N521-T603 WeakPolarHBondContact O-CB 3.15Å |
| 522 | P | 79.6 | Confident | 77.3 | Confident | 60 Ų | 60 | 52 Ų | 52 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -73.1 | 159.4 | -3.2 | 30.3 | -36.2 | 0 | 0 | 0 | 113.3 | Y602 T603 | P522-Y602 CarbonylContact O-C 3.58Å; P522-Y602 VanDerWaalsContact O-CA 3.29Å; P522-Y602 WeakPolarHBondContact O-CA 3.42Å; P522-T603 PolarHBondContact O-N 2.85Å |
| 523 | V | 83.3 | Confident | 77.4 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123.1 | 169.2 | -173.8 | 0 | 0 | 0 | 0 | 110 | F511 F520 I542 S543 L600 Y601 | F511-V523 HydrophobicContact CE1-CG2 4.34Å; F511-V523 HydrophobicContact CZ-CG1 4.03Å; F511-V523 HydrophobicContact CZ-CG2 4.28Å; F520-V523 HydrophobicContact CB-CG2 3.82Å; F520-V523 WeakPolarHBondContact O-CG2 3.23Å; V523-I542 HydrophobicContact CB-CB 4.17Å; V523-I542 HydrophobicContact CG1-CB 4.25Å; V523-I542 HydrophobicContact CG1-CD1 3.87Å; V523-I542 HydrophobicContact CG1-CG1 4.4Å; V523-I542 PolarHBondContact O-N 2.87Å; V523-S543 PolarHBondContact N-OG 2.92Å; V523-L600 HydrophobicContact CG1-CD1 3.7Å; V523-Y601 CarbonylContact C-O 3.6Å; V523-Y601 VanDerWaalsContact CA-O 3.28Å; V523-Y601 WeakPolarHBondContact CA-O 3.4Å; V523-Y601 WeakPolarHBondContact CG1-O 3.28Å |
| 524 | Y | 87.6 | Confident | 77.8 | Confident | 65 Ų | 65 | 47 Ų | 47 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 148.8 | 176.2 | 55.5 | -86 | 0 | 0 | 0 | 112 | Y539 I540 Y601 | Y524-Y539 HydrophobicContact CD2-CD2 4.48Å; Y524-Y539 AromaticContact CD2-CE2 3.78Å; Y524-Y539 HydrophobicContact CD2-CE2 3.78Å; Y524-Y539 AromaticContact CG-CE2 3.9Å; Y524-Y539 HydrophobicContact CG-CE2 3.9Å; Y524-I540 CarbonylContact C-O 3.58Å; Y524-I540 WeakPolarHBondContact CA-O 3.47Å; Y524-I540 WeakPolarHBondContact CB-O 3.37Å; Y524-Y601 AromaticContact CD2-CD2 3.84Å; Y524-Y601 HydrophobicContact CD2-CD2 3.84Å; Y524-Y601 HydrophobicContact CD2-CG 4.1Å; Y524-Y601 HydrophobicContact CE1-CG 4.31Å; Y524-Y601 HydrophobicContact CE2-CD1 4.21Å; Y524-Y601 AromaticContact CE2-CD2 3.25Å; Y524-Y601 HydrophobicContact CE2-CD2 3.25Å; Y524-Y601 HydrophobicContact CE2-CE2 4.09Å; Y524-Y601 AromaticContact CE2-CG 3.33Å; Y524-Y601 HydrophobicContact CE2-CG 3.33Å; Y524-Y601 AromaticContact CZ-CD2 3.9Å; Y524-Y601 AromaticContact CZ-CG 3.44Å; Y524-Y601 VanDerWaalsContact CZ-CG 3.44Å; Y524-Y601 PolarHBondContact N-O 2.87Å; Y524-Y601 PolarHBondContact O-N 2.75Å; Y524-Y601 WeakPolarHBondContact OH-CB 3.37Å; Y524-Y601 WeakPolarHBondContact OH-CD1 3.29Å |
| 525 | L | 86.6 | Confident | 78.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.6 | 176.9 | 179.5 | 73.1 | 0 | 0 | 0 | 108.9 | L484 I507 Y539 I540 L598 M599 L600 | L484-L525 HydrophobicContact CD1-CD1 4.21Å; I507-L525 HydrophobicContact CD1-CD2 3.72Å; I507-L525 HydrophobicContact CG2-CD2 4.23Å; L525-Y539 CarbonylContact O-C 3.55Å; L525-Y539 WeakPolarHBondContact O-CA 3.41Å; L525-I540 HydrophobicContact CB-CB 4.33Å; L525-I540 HydrophobicContact CD2-CD1 4.37Å; L525-I540 PolarHBondContact N-O 2.86Å; L525-I540 PolarHBondContact O-N 2.61Å; L525-L598 HydrophobicContact CD1-CB 4.27Å; L525-M599 WeakPolarHBondContact CA-O 3.3Å; L525-L600 HydrophobicContact CB-CD1 4.45Å; L525-L600 HydrophobicContact CD1-CB 4.25Å; L525-L600 HydrophobicContact CD1-CD1 4.5Å |
| 526 | L | 88.6 | Confident | 78.9 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.8 | 176.7 | -172.9 | 69 | 0 | 0 | 0 | 109.6 | H528 Y539 M599 | L526-H528 WeakPolarHBondContact CD2-NE2 3.44Å; L526-H528 WeakPolarHBondContact CG-NE2 3.39Å; L526-Y539 HydrophobicContact CD1-CD2 4.26Å; L526-M599 HydrophobicContact CB-CB 4.46Å; L526-M599 HydrophobicContact CB-CE 4.46Å; L526-M599 HydrophobicContact CD2-CE 3.65Å; L526-M599 HydrophobicContact CG-CE 4.29Å; L526-M599 PolarHBondContact N-O 3.04Å; L526-M599 PolarHBondContact O-N 2.88Å |
| 527 | T | 86.3 | Confident | 79.6 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133 | 178.7 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | I535 N538 L567 V597 L598 | T527-I535 HydrophobicContact CG2-CG2 4.48Å; T527-N538 PolarHBondContact N-O 2.83Å; T527-N538 WeakPolarHBondContact OG1-CA 3.5Å; T527-N538 PolarHBondContact OG1-O 2.94Å; T527-L567 HydrophobicContact CG2-CD1 3.49Å; T527-L567 VanDerWaalsContact CG2-CD1 3.49Å; T527-V597 CarbonylContact C-O 3.53Å; T527-V597 WeakPolarHBondContact CA-O 3.48Å; T527-L598 HydrophobicContact CG2-CD2 3.25Å |
| 528 | H | 82.7 | Confident | 80.4 | Confident | 94 Ų | 94 | 44.7 Ų | 44.7 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.8 | 173.7 | -63.3 | -76.7 | 0 | 0 | 0 | 111.2 | L526 V597 M599 | L526-H528 WeakPolarHBondContact CD2-NE2 3.44Å; L526-H528 WeakPolarHBondContact CG-NE2 3.39Å; H528-V597 PolarHBondContact N-O 3.48Å; H528-V597 PolarHBondContact O-N 2.85Å; H528-M599 WeakPolarHBondContact CD2-CE 3.38Å; H528-M599 WeakPolarHBondContact NE2-CE 3.06Å |
| 529 | S | 80.6 | Confident | 81.2 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.3 | 174.4 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | I533 | S529-I533 PolarHBondContact OG-O 3.38Å |
| 530 | C | 77.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | trans | -76.4 | 138.1 | 168.4 | -75.6 | 0 | 0 | 0 | 0 | 109.7 | I533 D593 T941 | C530-I533 WeakPolarHBondContact O-CB 3.36Å; C530-I533 PolarHBondContact O-N 2.9Å; C530-I533 VanDerWaalsContact O-N 3.08Å; C530-D593 HydrophobicContact CB-CB 4.05Å; C530-T941 VanDerWaalsContact SG-CG2 3.52Å | ||
| 531 | P | 72.8 | Confident | 82 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 141 | 165.3 | -24.2 | 34.7 | 0 | 0 | 0 | 110.7 | L944 | P531-L944 HydrophobicContact CG-CD2 4.16Š|
| 532 | P | 74.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.6 | 17.9 | 14.8 | 37.8 | -37 | 0 | 0 | 0 | 115.2 | V572 Q589 P591 F650 | P532-V572 HydrophobicContact CB-CB 4.46Å; P532-V572 HydrophobicContact CB-CG2 4.31Å; P532-V572 WeakPolarHBondContact O-CG2 3.43Å; P532-V572 PolarHBondContact O-N 3.39Å; P532-Q589 HydrophobicContact CB-CB 4.37Å; P532-P591 HydrophobicContact CG-CB 4.44Å; P532-F650 HydrophobicContact CG-CD1 3.81Å; P532-F650 HydrophobicContact CG-CE1 3.86Å |
| 533 | I | 79.8 | Confident | 81.4 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.3 | 178.8 | -60.7 | 155.6 | 0 | 0 | 0 | 109.4 | S529 C530 I535 M594 V596 L645 F650 | S529-I533 PolarHBondContact OG-O 3.38Å; C530-I533 WeakPolarHBondContact O-CB 3.36Å; C530-I533 PolarHBondContact O-N 2.9Å; C530-I533 VanDerWaalsContact O-N 3.08Å; I533-I535 HydrophobicContact CG2-CG1 4.25Å; I533-M594 HydrophobicContact CD1-CE 4.42Å; I533-M594 HydrophobicContact CD1-SD 4.41Å; I533-V596 HydrophobicContact CG2-CG2 4.18Å; I533-L645 HydrophobicContact CD1-CD1 4.11Å; I533-L645 HydrophobicContact CG1-CD1 4.31Å; I533-L645 HydrophobicContact CG2-CD1 4Å; I533-F650 HydrophobicContact CB-CZ 4.32Å; I533-F650 HydrophobicContact CD1-CE2 4.47Å; I533-F650 HydrophobicContact CD1-CZ 4.43Å; I533-F650 HydrophobicContact CG1-CE1 4.11Å; I533-F650 HydrophobicContact CG1-CE2 3.83Å; I533-F650 HydrophobicContact CG1-CZ 3.36Å |
| 534 | I | 81.7 | Confident | 79.9 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.9 | 167.7 | -74.2 | 166.8 | 0 | 0 | 0 | 109.1 | K536 C569 Y570 V572 F575 | I534-K536 HydrophobicContact CG2-CG 4.12Å; I534-C569 CarbonylContact O-C 3.53Å; I534-C569 WeakPolarHBondContact O-CA 3.2Å; I534-Y570 PolarHBondContact N-O 2.93Å; I534-Y570 VanDerWaalsContact N-O 3.09Å; I534-Y570 PolarHBondContact O-N 2.93Å; I534-V572 HydrophobicContact CB-CG2 4.43Å; I534-V572 HydrophobicContact CD1-CB 3.96Å; I534-V572 HydrophobicContact CD1-CG1 3.87Å; I534-V572 HydrophobicContact CD1-CG2 3.2Å; I534-V572 HydrophobicContact CG1-CG2 3.41Å; I534-V572 VanDerWaalsContact CG1-CG2 3.41Å; I534-F575 HydrophobicContact CD1-CD2 4.22Å; I534-F575 HydrophobicContact CD1-CE2 4.33Å |
| 535 | I | 83.4 | Confident | 78.1 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.7 | 175.7 | -57.7 | 161.1 | 0 | 0 | 0 | 108.3 | T527 I533 L567 T568 V596 | T527-I535 HydrophobicContact CG2-CG2 4.48Å; I533-I535 HydrophobicContact CG2-CG1 4.25Å; I535-L567 HydrophobicContact CG2-CB 3.79Å; I535-L567 HydrophobicContact CG2-CD1 3.73Å; I535-L567 HydrophobicContact CG2-CG 4.33Å; I535-T568 WeakPolarHBondContact CA-O 3.43Å; I535-V596 HydrophobicContact CD1-CB 4.07Å; I535-V596 HydrophobicContact CD1-CG1 3.23Å; I535-V596 HydrophobicContact CD1-CG2 3.81Å; I535-V596 HydrophobicContact CG1-CG1 4.45Å |
| 536 | K | 81.8 | Confident | 75.8 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.9 | 170.2 | -59.3 | -174.8 | 176.3 | -179.6 | 0 | 110.2 | I534 T568 Y570 | I534-K536 HydrophobicContact CG2-CG 4.12Å; K536-T568 PolarHBondContact N-O 2.97Å; K536-T568 PolarHBondContact O-N 3.06Å; K536-T568 PolarHBondContact O-OG1 3.44Å; K536-Y570 HydrophobicContact CB-CE2 3.95Å; K536-Y570 HydrophobicContact CD-CD2 4.42Å; K536-Y570 HydrophobicContact CD-CE2 4.02Å; K536-Y570 HydrophobicContact CG-CD2 4.24Å; K536-Y570 HydrophobicContact CG-CE2 4Å |
| 537 | P | 83.7 | Confident | 73.4 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | S | Bend | cis | -64.5 | 149.1 | -18.1 | 31.3 | -36.1 | 0 | 0 | 0 | 111 | I540 L567 | P537-I540 HydrophobicContact CB-CG1 4.39Å; P537-I540 HydrophobicContact CG-CD1 3.85Å; P537-I540 HydrophobicContact CG-CG1 3.7Å; P537-L567 HydrophobicContact CG-CD2 3.92Å |
| 538 | N | 83.2 | Confident | 70.9 | Confident | 103 Ų | 103 | 66.2 Ų | 66.2 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -88.3 | -9.5 | 174.6 | 62.2 | -18.4 | 0 | 0 | 0 | 113.4 | T527 | T527-N538 PolarHBondContact N-O 2.83Å; T527-N538 WeakPolarHBondContact OG1-CA 3.5Å; T527-N538 PolarHBondContact OG1-O 2.94Å |
| 539 | Y | 86.2 | Confident | 68.7 | Low | 113 Ų | 113 | 65.3 Ų | 65.3 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 134.4 | 178 | 174.4 | -93.4 | 0 | 0 | 0 | 110.2 | Y524 L525 L526 D541 | Y524-Y539 HydrophobicContact CD2-CD2 4.48Å; Y524-Y539 AromaticContact CD2-CE2 3.78Å; Y524-Y539 HydrophobicContact CD2-CE2 3.78Å; Y524-Y539 AromaticContact CG-CE2 3.9Å; Y524-Y539 HydrophobicContact CG-CE2 3.9Å; L525-Y539 CarbonylContact O-C 3.55Å; L525-Y539 WeakPolarHBondContact O-CA 3.41Å; L526-Y539 HydrophobicContact CD1-CD2 4.26Å; Y539-D541 HydrophobicContact CE1-CB 4.02Å |
| 540 | I | 83.8 | Confident | 66.6 | Low | 23 Ų | 23 | 68.9 Ų | 68.9 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 123.5 | 175 | -58 | -179.5 | 0 | 0 | 0 | 109.1 | Y524 L525 P537 I542 Y565 L567 | Y524-I540 CarbonylContact C-O 3.58Å; Y524-I540 WeakPolarHBondContact CA-O 3.47Å; Y524-I540 WeakPolarHBondContact CB-O 3.37Å; L525-I540 HydrophobicContact CB-CB 4.33Å; L525-I540 HydrophobicContact CD2-CD1 4.37Å; L525-I540 PolarHBondContact N-O 2.86Å; L525-I540 PolarHBondContact O-N 2.61Å; P537-I540 HydrophobicContact CB-CG1 4.39Å; P537-I540 HydrophobicContact CG-CD1 3.85Å; P537-I540 HydrophobicContact CG-CG1 3.7Å; I540-I542 HydrophobicContact CG2-CG1 4.39Å; I540-Y565 HydrophobicContact CD1-CD1 3.93Å; I540-Y565 HydrophobicContact CD1-CG 4Å; I540-Y565 HydrophobicContact CG2-CD1 4.09Å; I540-Y565 HydrophobicContact CG2-CE1 3.73Å; I540-L567 HydrophobicContact CD1-CD2 3.64Å |
| 541 | D | 83 | Confident | 65 | Low | 55 Ų | 55 | 74.3 Ų | 74.3 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 127.7 | 168.8 | -169.4 | -18 | 0 | 0 | 0 | 109.7 | Y539 S543 | Y539-D541 HydrophobicContact CE1-CB 4.02Å; D541-S543 PolarHBondContact OD1-N 2.95Å; D541-S543 PolarHBondContact OD1-OG 3.33Å |
| 542 | I | 77.7 | Confident | 63.9 | Low | 15 Ų | 15 | 80.4 Ų | 80.4 | 8% | 0.077 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -99.3 | -14 | -177.4 | -53.8 | 179 | 0 | 0 | 0 | 110.8 | I509 V523 I540 Y563 Y565 L600 | I509-I542 HydrophobicContact CD1-CD1 3.36Å; V523-I542 HydrophobicContact CB-CB 4.17Å; V523-I542 HydrophobicContact CG1-CB 4.25Å; V523-I542 HydrophobicContact CG1-CD1 3.87Å; V523-I542 HydrophobicContact CG1-CG1 4.4Å; V523-I542 PolarHBondContact O-N 2.87Å; I540-I542 HydrophobicContact CG2-CG1 4.39Å; I542-Y563 HydrophobicContact CG2-CD1 4.16Å; I542-Y563 HydrophobicContact CG2-CD2 4.13Å; I542-Y563 HydrophobicContact CG2-CE1 4.04Å; I542-Y563 HydrophobicContact CG2-CE2 4.02Å; I542-Y563 HydrophobicContact CG2-CG 4.19Å; I542-Y565 HydrophobicContact CD1-CE2 4.07Å; I542-Y565 HydrophobicContact CG1-CE2 4.2Å; I542-L600 HydrophobicContact CD1-CD1 4.18Å |
| 543 | S | 63.8 | Low | 62.7 | Low | 42 Ų | 42 | 84.4 Ų | 84.4 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -90.7 | -10 | -170.6 | 24.8 | 0 | 0 | 0 | 0 | 115.6 | N521 V523 D541 N545 | N521-S543 VanDerWaalsContact OD1-CB 3.32Å; N521-S543 WeakPolarHBondContact OD1-CB 3.39Å; V523-S543 PolarHBondContact N-OG 2.92Å; D541-S543 PolarHBondContact OD1-N 2.95Å; D541-S543 PolarHBondContact OD1-OG 3.33Å; S543-N545 PolarHBondContact O-N 2.86Å |
| 544 | S | 52.7 | Low | 61.1 | Low | 48 Ų | 48 | 91.4 Ų | 91.4 | 34% | 0.336 | 49% | 0.489 | S | S | . | . | trans | -85.2 | 109.4 | 175.4 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | E546 L547 | S544-E546 PolarHBondContact O-N 3.24Å; S544-L547 WeakPolarHBondContact OG-CD1 3.37Å | ||
| 545 | N | 49.3 | Very low | 59.6 | Low | 169 Ų | 169 | 92.7 Ų | 92.7 | 90% | 0.904 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -68 | 11.3 | 167.9 | -90.5 | -13.7 | 0 | 0 | 0 | 113.1 | S543 | S543-N545 PolarHBondContact O-N 2.86Š|
| 546 | E | 38.6 | Very low | 57.8 | Low | 172 Ų | 172 | 98.3 Ų | 98.3 | 80% | 0.804 | 53% | 0.53 | S | S | * | . | trans | -137.2 | 75.6 | -174.4 | -68.3 | -177.2 | 175.2 | 0 | 0 | 109.5 | S544 | S544-E546 PolarHBondContact O-N 3.24Š| ||
| 547 | L | 38.4 | Very low | 56.2 | Low | 120 Ų | 120 | 102.2 Ų | 102.2 | 63% | 0.628 | 55% | 0.549 | S | S | * | . | trans | -125.5 | 80.7 | 161.5 | -85 | 164.3 | 0 | 0 | 0 | 109 | S544 S549 | S544-L547 WeakPolarHBondContact OG-CD1 3.37Å; L547-S549 PolarHBondContact O-N 3.42Å; L547-S549 VanDerWaalsContact O-N 3.1Å | ||
| 548 | N | 32.4 | Very low | 54.6 | Low | 176 Ų | 176 | 106.9 Ų | 106.9 | 94% | 0.941 | 57% | 0.571 | S | S | * | * | trans | -66 | 87.6 | 150.1 | -76.3 | -26.4 | 0 | 0 | 0 | 107.9 | ||||
| 549 | S | 37.8 | Very low | 53.5 | Low | 74 Ų | 74 | 107.1 Ų | 107.1 | 52% | 0.517 | 57% | 0.572 | S | S | . | * | trans | -149.5 | 101.9 | 156.3 | 57.4 | 0 | 0 | 0 | 0 | 107.1 | L547 D551 | L547-S549 PolarHBondContact O-N 3.42Å; L547-S549 VanDerWaalsContact O-N 3.1Å; S549-D551 PolarHBondContact O-N 3.16Å | ||
| 550 | S | 36.8 | Very low | 52.3 | Low | 109 Ų | 109 | 105 Ų | 105 | 76% | 0.762 | 57% | 0.574 | S | S | * | * | trans | -48.8 | 126.7 | 165.3 | 46 | 0 | 0 | 0 | 0 | 109 | ||||
| 551 | D | 43.5 | Very low | 51.7 | Low | 118 Ų | 118 | 107.4 Ų | 107.4 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 119.1 | 124.1 | 173.5 | -56.9 | -18.2 | 0 | 0 | 0 | 109.3 | S549 | S549-D551 PolarHBondContact O-N 3.16Š|
| 552 | F | 50.9 | Low | 51.3 | Low | 150 Ų | 150 | 108.5 Ų | 108.5 | 66% | 0.658 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 92.7 | 7.8 | 169.5 | -42.1 | -66.5 | 0 | 0 | 0 | 121.5 | ||
| 553 | V | 47.7 | Very low | 51.3 | Low | 85 Ų | 85 | 110.1 Ų | 110.1 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | trans | -128 | 104.6 | 177.4 | -159.4 | 0 | 0 | 0 | 0 | 113.5 | V555 | V553-V555 VanDerWaalsContact C-N 3.32Å; V553-V555 HydrophobicContact CB-CG2 4.27Å; V553-V555 HydrophobicContact CG1-CB 4.48Å; V553-V555 HydrophobicContact CG1-CG2 3.32Å; V553-V555 PolarHBondContact O-N 3.17Å | ||
| 554 | L | 46.8 | Very low | 52.1 | Low | 151 Ų | 151 | 109.7 Ų | 109.7 | 79% | 0.791 | 59% | 0.587 | S | S | * | * | trans | -81.7 | 80.9 | 158.8 | -87.5 | 161.3 | 0 | 0 | 0 | 108.4 | N556 | L554-N556 PolarHBondContact O-N 3.14Š| ||
| 555 | V | 50.1 | Low | 53.6 | Low | 79 Ų | 79 | 108.7 Ų | 108.7 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | trans | -70 | 103.4 | 167.4 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | V553 H557 | V553-V555 VanDerWaalsContact C-N 3.32Å; V553-V555 HydrophobicContact CB-CG2 4.27Å; V553-V555 HydrophobicContact CG1-CB 4.48Å; V553-V555 HydrophobicContact CG1-CG2 3.32Å; V553-V555 PolarHBondContact O-N 3.17Å; V555-H557 PolarHBondContact O-CD2 2.87Å; V555-H557 PolarHBondContact O-N 3.43Å | ||
| 556 | N | 44.7 | Very low | 55.2 | Low | 128 Ų | 128 | 102.5 Ų | 102.5 | 68% | 0.684 | 54% | 0.544 | S | S | * | . | trans | -73.9 | 95.1 | 169.5 | -132.1 | -11.1 | 0 | 0 | 0 | 107.9 | L554 N558 | L554-N556 PolarHBondContact O-N 3.14Å; N556-N558 PolarHBondContact O-N 3.38Å | ||
| 557 | H | 49.2 | Very low | 57.4 | Low | 166 Ų | 166 | 94.3 Ų | 94.3 | 77% | 0.769 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -2.5 | -171.9 | -76.2 | -72 | 0 | 0 | 0 | 116.1 | V555 | V555-H557 PolarHBondContact O-CD2 2.87Å; V555-H557 PolarHBondContact O-N 3.43Å |
| 558 | N | 50.8 | Low | 59.6 | Low | 149 Ų | 149 | 89.2 Ų | 89.2 | 80% | 0.797 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -7.8 | -169.6 | -73.1 | -9.2 | 0 | 0 | 0 | 116 | N556 | N556-N558 PolarHBondContact O-N 3.38Š|
| 559 | N | 58.4 | Low | 62 | Low | 108 Ų | 108 | 80.8 Ų | 80.8 | 58% | 0.578 | 44% | 0.435 | S | S | * | . | trans | -133.8 | 106.2 | 177.5 | -94.8 | -31.8 | 0 | 0 | 0 | 111.4 | Y561 K562 | N559-Y561 PolarHBondContact O-N 2.91Å; N559-Y561 VanDerWaalsContact O-N 3.1Å; N559-K562 HydrophobicContact CB-CB 4.3Å; N559-K562 PolarHBondContact O-N 3.45Å | ||
| 560 | S | 62.7 | Low | 63.9 | Low | 67 Ų | 67 | 78.6 Ų | 78.6 | 47% | 0.469 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -29.6 | 179.2 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | K517 | K517-S560 WeakPolarHBondContact CE-O 3.48Å; K517-S560 PolarHBondContact NZ-O 3.1Å |
| 561 | Y | 70.2 | Confident | 65.6 | Low | 74 Ų | 74 | 73.5 Ų | 73.5 | 29% | 0.29 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5 | -174.5 | -58.8 | -82.3 | 0 | 0 | 0 | 115.7 | E510 F511 K513 N559 | E510-Y561 WeakPolarHBondContact CA-O 3.37Å; F511-Y561 PolarHBondContact N-O 3.49Å; K513-Y561 HydrophobicContact CG-CD1 4.39Å; K513-Y561 HydrophobicContact CG-CD2 3.92Å; K513-Y561 HydrophobicContact CG-CE2 4.28Å; K513-Y561 HydrophobicContact CG-CG 3.97Å; N559-Y561 PolarHBondContact O-N 2.91Å; N559-Y561 VanDerWaalsContact O-N 3.1Å |
| 562 | K | 75.7 | Confident | 66.8 | Low | 78 Ų | 78 | 68.3 Ų | 68.3 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.4 | -175 | -168.1 | -176.6 | 178.6 | -166.7 | 0 | 111.5 | D508 I509 N559 | D508-K562 VanDerWaalsContact CG-NZ 3.25Å; D508-K562 VanDerWaalsContact OD1-CE 3.31Å; D508-K562 WeakPolarHBondContact OD1-CE 3.39Å; D508-K562 IonicContact OD1-NZ 2.8Å; D508-K562 PolarHBondContact OD1-NZ 3.1Å; D508-K562 WeakPolarHBondContact OD2-CE 3.14Å; D508-K562 IonicContact OD2-NZ 3.54Å; D508-K562 PolarHBondContact OD2-NZ 2.88Å; I509-K562 CarbonylContact O-C 3.58Å; I509-K562 VanDerWaalsContact O-CA 3.31Å; I509-K562 WeakPolarHBondContact O-CA 3.45Å; N559-K562 HydrophobicContact CB-CB 4.3Å; N559-K562 PolarHBondContact O-N 3.45Å |
| 563 | Y | 76.7 | Confident | 67.3 | Low | 50 Ų | 50 | 62.3 Ų | 62.3 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137.5 | 170.4 | -67.4 | -94.3 | 0 | 0 | 0 | 109.9 | D508 I509 F511 K517 I542 Y565 | D508-Y563 CarbonylContact C-O 3.59Å; D508-Y563 WeakPolarHBondContact CA-O 3.37Å; I509-Y563 PolarHBondContact N-O 3.07Å; I509-Y563 PolarHBondContact O-N 3.08Å; F511-Y563 HydrophobicContact CD2-CD2 4.09Å; F511-Y563 HydrophobicContact CD2-CE2 4.15Å; F511-Y563 AromaticContact CE2-CD2 3.72Å; F511-Y563 HydrophobicContact CE2-CD2 3.72Å; F511-Y563 AromaticContact CE2-CE2 3.84Å; F511-Y563 HydrophobicContact CE2-CE2 3.84Å; K517-Y563 PolarHBondContact NZ-OH 3.46Å; I542-Y563 HydrophobicContact CG2-CD1 4.16Å; I542-Y563 HydrophobicContact CG2-CD2 4.13Å; I542-Y563 HydrophobicContact CG2-CE1 4.04Å; I542-Y563 HydrophobicContact CG2-CE2 4.02Å; I542-Y563 HydrophobicContact CG2-CG 4.19Å; Y563-Y565 HydrophobicContact CG-CE2 4.4Å |
| 564 | S | 81.5 | Confident | 67.6 | Low | 33 Ų | 33 | 63.3 Ų | 63.3 | 23% | 0.231 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.1 | 179.4 | -62.2 | 0 | 0 | 0 | 0 | 109 | I507 D508 | I507-S564 CarbonylContact O-C 3.52Å; I507-S564 VanDerWaalsContact O-CA 3.29Å; I507-S564 WeakPolarHBondContact O-CA 3.39Å; D508-S564 WeakPolarHBondContact OD1-CB 3.45Å; D508-S564 PolarHBondContact OD1-OG 3.22Å |
| 565 | Y | 82.6 | Confident | 67.6 | Low | 26 Ų | 26 | 57.1 Ų | 57.1 | 10% | 0.102 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 152.3 | 178.7 | -62.6 | -81.5 | 0 | 0 | 0 | 110 | D506 I507 I509 I540 I542 Y563 | D506-Y565 CarbonylContact C-O 3.51Å; D506-Y565 WeakPolarHBondContact CA-O 3.47Å; I507-Y565 PolarHBondContact N-O 3.4Å; I507-Y565 PolarHBondContact O-N 2.83Å; I509-Y565 HydrophobicContact CD1-CD2 4.19Å; I509-Y565 HydrophobicContact CD1-CE2 4.11Å; I540-Y565 HydrophobicContact CD1-CD1 3.93Å; I540-Y565 HydrophobicContact CD1-CG 4Å; I540-Y565 HydrophobicContact CG2-CD1 4.09Å; I540-Y565 HydrophobicContact CG2-CE1 3.73Å; I542-Y565 HydrophobicContact CD1-CE2 4.07Å; I542-Y565 HydrophobicContact CG1-CE2 4.2Å; Y563-Y565 HydrophobicContact CG-CE2 4.4Å |
| 566 | T | 83.9 | Confident | 67.6 | Low | 40 Ų | 40 | 60.2 Ų | 60.2 | 25% | 0.245 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.3 | 172.1 | -62.3 | 0 | 0 | 0 | 0 | 108.7 | R489 Y504 I505 D506 | R489-T566 VanDerWaalsContact NH2-CG2 3.29Å; R489-T566 PolarHBondContact NH2-OG1 3.11Å; Y504-T566 HydrophobicContact CD1-CG2 4.09Å; Y504-T566 HydrophobicContact CG-CG2 4.34Å; I505-T566 CarbonylContact O-C 3.53Å; I505-T566 WeakPolarHBondContact O-CA 3.47Å; D506-T566 WeakPolarHBondContact OD1-CG2 3.34Å; D506-T566 PolarHBondContact OD1-OG1 3.32Å |
| 567 | L | 85.4 | Confident | 67.6 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.8 | 172.4 | -49.3 | -177.5 | 0 | 0 | 0 | 110.2 | Y504 I505 I507 T527 I535 P537 I540 L598 | Y504-L567 CarbonylContact C-O 3.56Å; Y504-L567 VanDerWaalsContact CA-O 3.3Å; Y504-L567 WeakPolarHBondContact CA-O 3.46Å; I505-L567 HydrophobicContact CB-CB 4.31Å; I505-L567 PolarHBondContact N-O 3.48Å; I505-L567 PolarHBondContact O-N 3.34Å; I507-L567 HydrophobicContact CD1-CD1 3.33Å; I507-L567 HydrophobicContact CD1-CD2 4.46Å; I507-L567 HydrophobicContact CD1-CG 3.66Å; T527-L567 HydrophobicContact CG2-CD1 3.49Å; T527-L567 VanDerWaalsContact CG2-CD1 3.49Å; I535-L567 HydrophobicContact CG2-CB 3.79Å; I535-L567 HydrophobicContact CG2-CD1 3.73Å; I535-L567 HydrophobicContact CG2-CG 4.33Å; P537-L567 HydrophobicContact CG-CD2 3.92Å; I540-L567 HydrophobicContact CD1-CD2 3.64Å; L567-L598 HydrophobicContact CD1-CD2 3.95Å |
| 568 | T | 83.7 | Confident | 67.3 | Low | 12 Ų | 12 | 54.1 Ų | 54.1 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.7 | 174.3 | 44.8 | 0 | 0 | 0 | 0 | 110.5 | Y504 I535 K536 Y570 | Y504-T568 HydrophobicContact CD1-CG2 3.56Å; Y504-T568 HydrophobicContact CE1-CG2 3.55Å; I535-T568 WeakPolarHBondContact CA-O 3.43Å; K536-T568 PolarHBondContact N-O 2.97Å; K536-T568 PolarHBondContact O-N 3.06Å; K536-T568 PolarHBondContact O-OG1 3.44Å; T568-Y570 WeakPolarHBondContact CB-OH 3.48Å; T568-Y570 WeakPolarHBondContact OG1-CE2 3.26Å; T568-Y570 PolarHBondContact OG1-OH 2.74Å; T568-Y570 VanDerWaalsContact OG1-OH 3.12Å |
| 569 | C | 82.7 | Confident | 67 | Low | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.4 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | L502 C503 I534 | L502-C569 WeakPolarHBondContact CB-O 3.47Å; L502-C569 PolarHBondContact N-O 3.35Å; C503-C569 WeakPolarHBondContact O-CB 3.39Å; C503-C569 PolarHBondContact O-N 2.57Å; C503-C569 VanDerWaalsContact SG-CB 3.51Å; I534-C569 CarbonylContact O-C 3.53Å; I534-C569 WeakPolarHBondContact O-CA 3.2Å |
| 570 | Y | 77.5 | Confident | 65.9 | Low | 28 Ų | 28 | 56.9 Ų | 56.9 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 160.8 | 179 | -59.7 | -93.2 | 0 | 0 | 0 | 111.3 | N500 E501 I534 K536 T568 F575 | N500-Y570 HydrophobicContact CB-CD1 4.11Å; N500-Y570 WeakPolarHBondContact O-CD1 3.47Å; E501-Y570 HydrophobicContact CB-CE1 4.46Å; E501-Y570 HydrophobicContact CG-CD1 4.06Å; E501-Y570 HydrophobicContact CG-CE1 3.36Å; E501-Y570 PolarHBondContact OE1-OH 3.2Å; I534-Y570 PolarHBondContact N-O 2.93Å; I534-Y570 VanDerWaalsContact N-O 3.09Å; I534-Y570 PolarHBondContact O-N 2.93Å; K536-Y570 HydrophobicContact CB-CE2 3.95Å; K536-Y570 HydrophobicContact CD-CD2 4.42Å; K536-Y570 HydrophobicContact CD-CE2 4.02Å; K536-Y570 HydrophobicContact CG-CD2 4.24Å; K536-Y570 HydrophobicContact CG-CE2 4Å; T568-Y570 WeakPolarHBondContact CB-OH 3.48Å; T568-Y570 WeakPolarHBondContact OG1-CE2 3.26Å; T568-Y570 PolarHBondContact OG1-OH 2.74Å; T568-Y570 VanDerWaalsContact OG1-OH 3.12Å; Y570-F575 VanDerWaalsContact CB-CE2 3.42Å; Y570-F575 AromaticContact CD1-CE2 3.87Å; Y570-F575 HydrophobicContact CD1-CE2 3.87Å; Y570-F575 HydrophobicContact CD1-CZ 4.05Å; Y570-F575 HydrophobicContact CD2-CE2 4.25Å; Y570-F575 HydrophobicContact CD2-CZ 4.44Å; Y570-F575 AromaticContact CG-CE2 3.6Å; Y570-F575 HydrophobicContact CG-CE2 3.6Å; Y570-F575 HydrophobicContact CG-CZ 4.04Å |
| 571 | N | 73.2 | Confident | 64.6 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.7 | 169.3 | -167.4 | -21.5 | 0 | 0 | 0 | 109.7 | L502 N573 K574 F650 | L502-N571 HydrophobicContact CD1-CB 3.85Å; L502-N571 HydrophobicContact CD2-CB 4.13Å; L502-N571 HydrophobicContact CG-CB 4.12Å; N571-N573 PolarHBondContact O-N 3.4Å; N571-N573 WeakPolarHBondContact OD1-CB 3.36Å; N571-N573 PolarHBondContact OD1-N 3.04Å; N571-N573 VanDerWaalsContact OD1-N 3.1Å; N571-K574 PolarHBondContact O-N 3.01Å; N571-K574 VanDerWaalsContact O-N 3.17Å; N571-F650 HydrophobicContact CB-CD1 4.49Å; N571-F650 HydrophobicContact CB-CE1 4.03Å; N571-F650 WeakPolarHBondContact ND2-CD1 3.33Å |
| 572 | V | 68.5 | Low | 63.2 | Low | 9 Ų | 9 | 65.2 Ų | 65.2 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -61.6 | -33.6 | 179.7 | -163.1 | 0 | 0 | 0 | 0 | 111.9 | P532 I534 K574 F575 M586 | P532-V572 HydrophobicContact CB-CB 4.46Å; P532-V572 HydrophobicContact CB-CG2 4.31Å; P532-V572 WeakPolarHBondContact O-CG2 3.43Å; P532-V572 PolarHBondContact O-N 3.39Å; I534-V572 HydrophobicContact CB-CG2 4.43Å; I534-V572 HydrophobicContact CD1-CB 3.96Å; I534-V572 HydrophobicContact CD1-CG1 3.87Å; I534-V572 HydrophobicContact CD1-CG2 3.2Å; I534-V572 HydrophobicContact CG1-CG2 3.41Å; I534-V572 VanDerWaalsContact CG1-CG2 3.41Å; V572-K574 PolarHBondContact O-N 2.76Å; V572-F575 WeakPolarHBondContact O-CB 3.48Å; V572-F575 PolarHBondContact O-N 2.95Å; V572-M586 HydrophobicContact CB-CB 4.31Å; V572-M586 HydrophobicContact CG1-CB 3.38Å; V572-M586 HydrophobicContact CG1-CG 4.45Å; V572-M586 WeakPolarHBondContact CG1-O 3.37Å |
| 573 | N | 61 | Low | 61.4 | Low | 25 Ų | 25 | 64.2 Ų | 64.2 | 13% | 0.134 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -64.9 | -5.1 | -178.7 | -62.9 | -24.7 | 0 | 0 | 0 | 113.7 | N571 M586 N588 Q589 | N571-N573 PolarHBondContact O-N 3.4Å; N571-N573 WeakPolarHBondContact OD1-CB 3.36Å; N571-N573 PolarHBondContact OD1-N 3.04Å; N571-N573 VanDerWaalsContact OD1-N 3.1Å; N573-M586 PolarHBondContact OD1-O 3.28Å; N573-N588 WeakPolarHBondContact OD1-CA 3.44Å; N573-N588 PolarHBondContact OD1-N 3.22Å; N573-Q589 PolarHBondContact ND2-O 3.01Å; N573-Q589 PolarHBondContact OD1-N 3.35Å; N573-Q589 VanDerWaalsContact OD1-N 3.17Å |
| 574 | K | 53.8 | Low | 59.9 | Low | 106 Ų | 106 | 64.2 Ų | 64.2 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -117.6 | 0.3 | 174.8 | -65.7 | -172.9 | 175.6 | -175.1 | 0 | 113.7 | N500 N571 V572 I576 | N500-K574 PolarHBondContact ND2-O 2.79Å; N500-K574 VanDerWaalsContact ND2-O 3.13Å; N500-K574 PolarHBondContact OD1-O 2.8Å; N571-K574 PolarHBondContact O-N 3.01Å; N571-K574 VanDerWaalsContact O-N 3.17Å; V572-K574 PolarHBondContact O-N 2.76Å; K574-I576 PolarHBondContact O-N 2.66Å; K574-I576 VanDerWaalsContact O-N 3.11Å |
| 575 | F | 48.4 | Very low | 58.4 | Low | 21 Ų | 21 | 65.5 Ų | 65.5 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | trans | -74.7 | 101.3 | 179.5 | -110.2 | -79.2 | 0 | 0 | 0 | 110.4 | I534 Y570 V572 D577 | I534-F575 HydrophobicContact CD1-CD2 4.22Å; I534-F575 HydrophobicContact CD1-CE2 4.33Å; Y570-F575 VanDerWaalsContact CB-CE2 3.42Å; Y570-F575 AromaticContact CD1-CE2 3.87Å; Y570-F575 HydrophobicContact CD1-CE2 3.87Å; Y570-F575 HydrophobicContact CD1-CZ 4.05Å; Y570-F575 HydrophobicContact CD2-CE2 4.25Å; Y570-F575 HydrophobicContact CD2-CZ 4.44Å; Y570-F575 AromaticContact CG-CE2 3.6Å; Y570-F575 HydrophobicContact CG-CE2 3.6Å; Y570-F575 HydrophobicContact CG-CZ 4.04Å; V572-F575 WeakPolarHBondContact O-CB 3.48Å; V572-F575 PolarHBondContact O-N 2.95Å; F575-D577 WeakPolarHBondContact CE1-OD2 3.35Å | ||
| 576 | I | 49.4 | Very low | 57 | Low | 143 Ų | 143 | 66.6 Ų | 66.6 | 73% | 0.733 | 36% | 0.364 | S | S | * | . | trans | -118.8 | 76.6 | 164.5 | -53 | 174.7 | 0 | 0 | 0 | 106.2 | K574 G578 | K574-I576 PolarHBondContact O-N 2.66Å; K574-I576 VanDerWaalsContact O-N 3.11Å; I576-G578 PolarHBondContact O-N 2.92Å; I576-G578 VanDerWaalsContact O-N 3.14Å | ||
| 577 | D | 44.3 | Very low | 55.6 | Low | 89 Ų | 89 | 68 Ų | 68 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | trans | -75.6 | 100 | 170.2 | -91.4 | -12.1 | 0 | 0 | 0 | 108.1 | F575 K579 | F575-D577 WeakPolarHBondContact CE1-OD2 3.35Å; D577-K579 PolarHBondContact O-N 3.17Å | ||
| 578 | G | 43.9 | Very low | 54.4 | Low | 77 Ų | 77 | 70.1 Ų | 70.1 | 79% | 0.794 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 25.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | I576 | I576-G578 PolarHBondContact O-N 2.92Å; I576-G578 VanDerWaalsContact O-N 3.14Å |
| 579 | K | 43.2 | Very low | 53.7 | Low | 197 Ų | 197 | 70.1 Ų | 70.1 | 86% | 0.857 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.8 | -12.8 | -179.7 | -70.7 | -171.9 | 177.8 | 176 | 0 | 116 | D577 | D577-K579 PolarHBondContact O-N 3.17Š|
| 580 | N | 35.1 | Very low | 53.3 | Low | 119 Ų | 119 | 70.4 Ų | 70.4 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | trans | -137.5 | 103.9 | 175.8 | -73.3 | -26.2 | 0 | 0 | 0 | 109.1 | T582 | N580-T582 PolarHBondContact O-N 2.8Š| ||
| 581 | E | 36.8 | Very low | 53.1 | Low | 191 Ų | 191 | 69.2 Ų | 69.2 | 89% | 0.893 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -66.6 | 5.4 | -174.8 | -68.3 | 179.7 | 150.3 | 0 | 0 | 114.9 | ||
| 582 | T | 39.4 | Very low | 53.3 | Low | 125 Ų | 125 | 69.2 Ų | 69.2 | 77% | 0.767 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -89.7 | -0.1 | -169.7 | 54.3 | 0 | 0 | 0 | 0 | 115.3 | N580 | N580-T582 PolarHBondContact O-N 2.8Š|
| 583 | S | 38.9 | Very low | 53.8 | Low | 56 Ų | 56 | 69.5 Ų | 69.5 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -109.6 | 25.4 | -179.1 | 74 | 0 | 0 | 0 | 0 | 115 | ||
| 584 | S | 45.8 | Very low | 54.7 | Low | 51 Ų | 51 | 68.3 Ų | 68.3 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -77.2 | -15.8 | -178.4 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | M586 Q891 | S584-M586 PolarHBondContact O-N 3.17Å; S584-Q891 PolarHBondContact O-NE2 3.36Å |
| 585 | L | 49.1 | Very low | 56 | Low | 60 Ų | 60 | 65.2 Ų | 65.2 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -61.7 | -10.2 | -170.8 | -88.6 | 144.9 | 0 | 0 | 0 | 116.5 | T890 | L585-T890 HydrophobicContact CD2-CG2 3.62Š|
| 586 | M | 52.6 | Low | 57.6 | Low | 49 Ų | 49 | 64.2 Ų | 64.2 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -132.1 | 27.5 | -159.8 | -64.5 | -73.2 | -179 | 0 | 0 | 113.9 | V572 N573 S584 Q589 | V572-M586 HydrophobicContact CB-CB 4.31Å; V572-M586 HydrophobicContact CG1-CB 3.38Å; V572-M586 HydrophobicContact CG1-CG 4.45Å; V572-M586 WeakPolarHBondContact CG1-O 3.37Å; N573-M586 PolarHBondContact OD1-O 3.28Å; S584-M586 PolarHBondContact O-N 3.17Å; M586-Q589 PolarHBondContact SD-NE2 2.93Å |
| 587 | N | 54.8 | Low | 59.3 | Low | 70 Ų | 70 | 59.6 Ų | 59.6 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | trans | -82.2 | 138.4 | 173.5 | -73.2 | -34.9 | 0 | 0 | 0 | 110.8 | ||||
| 588 | N | 61.2 | Low | 61.4 | Low | 44 Ų | 44 | 55.3 Ų | 55.3 | 24% | 0.235 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 79.3 | 39 | 172.3 | -51.9 | -28.5 | 0 | 0 | 0 | 117.1 | N573 L717 | N573-N588 WeakPolarHBondContact OD1-CA 3.44Å; N573-N588 PolarHBondContact OD1-N 3.22Å; N588-L717 HydrophobicContact CB-CD2 3.65Å; N588-L717 VanDerWaalsContact CG-CD2 3.49Å |
| 589 | Q | 68.5 | Low | 63.5 | Low | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | trans | -97.3 | 141 | 178.4 | -68.5 | 169.2 | -2.4 | 0 | 0 | 113.4 | P532 N573 M586 Y898 | P532-Q589 HydrophobicContact CB-CB 4.37Å; N573-Q589 PolarHBondContact ND2-O 3.01Å; N573-Q589 PolarHBondContact OD1-N 3.35Å; N573-Q589 VanDerWaalsContact OD1-N 3.17Å; M586-Q589 PolarHBondContact SD-NE2 2.93Å; Q589-Y898 HydrophobicContact CG-CD2 3.92Å; Q589-Y898 HydrophobicContact CG-CE2 3.72Å; Q589-Y898 PolarHBondContact NE2-OH 2.63Å; Q589-Y898 PolarHBondContact OE1-OH 3.18Å | ||
| 590 | L | 72.8 | Confident | 65.7 | Low | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -77.9 | 140.2 | 170.6 | -81.1 | 130.5 | 0 | 0 | 0 | 110.4 | L592 F714 Q726 E748 T749 | L590-L592 PolarHBondContact O-N 3.24Å; L590-F714 HydrophobicContact CD2-CD2 4.28Å; L590-F714 HydrophobicContact CD2-CE2 4.43Å; L590-Q726 VanDerWaalsContact CG-OE1 3.32Å; L590-E748 HydrophobicContact CD1-CG 3.88Å; L590-T749 HydrophobicContact CD2-CG2 3.76Å | ||
| 591 | P | 74.9 | Confident | 68.2 | Low | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | trans | -71.1 | 94.5 | 174.2 | 28.9 | -32.6 | 0 | 0 | 0 | 110.8 | P532 D593 M594 F650 F714 P752 | P532-P591 HydrophobicContact CG-CB 4.44Å; P591-D593 VanDerWaalsContact C-N 3.34Å; P591-M594 HydrophobicContact CB-SD 3.56Å; P591-M594 VanDerWaalsContact CB-SD 3.56Å; P591-M594 HydrophobicContact CG-SD 4.22Å; P591-F650 HydrophobicContact CG-CB 4.33Å; P591-F714 HydrophobicContact CG-CD1 4.25Å; P591-F714 HydrophobicContact CG-CE1 4.22Å; P591-P752 WeakPolarHBondContact O-CG 3.35Å | ||
| 592 | L | 77.8 | Confident | 70.6 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -68.4 | -33.5 | 176.7 | -71.3 | -178.4 | 0 | 0 | 0 | 112.9 | L590 W751 Y898 I901 P940 | L590-L592 PolarHBondContact O-N 3.24Å; L592-W751 PolarHBondContact O-NE1 3.36Å; L592-Y898 HydrophobicContact CD1-CD1 3.56Å; L592-Y898 HydrophobicContact CD1-CE1 4.16Å; L592-Y898 HydrophobicContact CG-CD1 4.18Å; L592-I901 HydrophobicContact CD1-CB 4.12Å; L592-I901 HydrophobicContact CD1-CG2 3.61Å; L592-I901 HydrophobicContact CD2-CG2 4.47Å; L592-P940 HydrophobicContact CB-CB 4.18Å |
| 593 | D | 77.8 | Confident | 72.6 | Confident | 14 Ų | 14 | 26.9 Ų | 26.9 | 8% | 0.075 | 15% | 0.148 | C | C | . | . | trans | -142.1 | 133.2 | 173.9 | -162.7 | 0.6 | 0 | 0 | 0 | 110.3 | C530 P591 N595 Q755 P940 | C530-D593 HydrophobicContact CB-CB 4.05Å; P591-D593 VanDerWaalsContact C-N 3.34Å; D593-N595 VanDerWaalsContact C-N 3.32Å; D593-N595 VanDerWaalsContact CG-ND2 3.34Å; D593-N595 PolarHBondContact OD1-N 2.65Å; D593-N595 PolarHBondContact OD1-ND2 2.74Å; D593-N595 PolarHBondContact OD2-ND2 3.41Å; D593-Q755 PolarHBondContact OD1-NE2 3.24Å; D593-P940 HydrophobicContact CB-CB 4.26Å; D593-P940 HydrophobicContact CB-CG 4.16Å | ||
| 594 | M | 79.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | trans | -93.4 | 8.1 | 178.1 | -66.3 | -62.3 | -51.4 | 0 | 0 | 112.7 | I533 P591 K644 L645 I647 F650 | I533-M594 HydrophobicContact CD1-CE 4.42Å; I533-M594 HydrophobicContact CD1-SD 4.41Å; P591-M594 HydrophobicContact CB-SD 3.56Å; P591-M594 VanDerWaalsContact CB-SD 3.56Å; P591-M594 HydrophobicContact CG-SD 4.22Å; M594-K644 HydrophobicContact CB-CG 4.5Å; M594-L645 WeakPolarHBondContact CB-O 3.47Å; M594-L645 HydrophobicContact CE-CB 3.64Å; M594-L645 WeakPolarHBondContact CE-O 3.49Å; M594-L645 PolarHBondContact O-N 2.99Å; M594-I647 HydrophobicContact CG-CB 4.49Å; M594-I647 HydrophobicContact SD-CG1 4.34Å; M594-F650 HydrophobicContact CE-CD2 3.58Å; M594-F650 HydrophobicContact CE-CE2 3.68Å; M594-F650 HydrophobicContact SD-CD2 4.06Å; M594-F650 HydrophobicContact SD-CE2 4.41Å | ||
| 595 | N | 81.4 | Confident | 76.2 | Confident | 41 Ų | 41 | 26.1 Ų | 26.1 | 22% | 0.219 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 132.6 | 179.3 | -66.1 | -32.9 | 0 | 0 | 0 | 111.8 | D593 I643 | D593-N595 VanDerWaalsContact C-N 3.32Å; D593-N595 VanDerWaalsContact CG-ND2 3.34Å; D593-N595 PolarHBondContact OD1-N 2.65Å; D593-N595 PolarHBondContact OD1-ND2 2.74Å; D593-N595 PolarHBondContact OD2-ND2 3.41Å; N595-I643 CarbonylContact C-O 3.55Å; N595-I643 WeakPolarHBondContact CA-O 3.43Å |
| 596 | V | 83.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.4 | 166.7 | 169.2 | 0 | 0 | 0 | 0 | 107.5 | I505 I533 I535 L598 I643 L645 | I505-V596 HydrophobicContact CD1-CB 4.45Å; I505-V596 HydrophobicContact CD1-CG1 4.05Å; I505-V596 HydrophobicContact CD1-CG2 4.32Å; I533-V596 HydrophobicContact CG2-CG2 4.18Å; I535-V596 HydrophobicContact CD1-CB 4.07Å; I535-V596 HydrophobicContact CD1-CG1 3.23Å; I535-V596 HydrophobicContact CD1-CG2 3.81Å; I535-V596 HydrophobicContact CG1-CG1 4.45Å; V596-L598 HydrophobicContact CG1-CD2 4.17Å; V596-I643 HydrophobicContact CB-CB 4.31Å; V596-I643 PolarHBondContact N-O 3.08Å; V596-I643 PolarHBondContact O-N 3.09Å; V596-L645 HydrophobicContact CG2-CD1 3.67Å; V596-L645 HydrophobicContact CG2-CG 3.98Å |
| 597 | V | 85 | Confident | 77.4 | Confident | 45 Ų | 45 | 28.4 Ų | 28.4 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 116.6 | 178.9 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | T527 H528 M599 | T527-V597 CarbonylContact C-O 3.53Å; T527-V597 WeakPolarHBondContact CA-O 3.48Å; H528-V597 PolarHBondContact N-O 3.48Å; H528-V597 PolarHBondContact O-N 2.85Å; V597-M599 HydrophobicContact CG1-CG 3.92Å; V597-M599 HydrophobicContact CG1-SD 4.45Å |
| 598 | L | 87.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130 | 171.3 | -58.5 | 178.2 | 0 | 0 | 0 | 108.9 | L484 T486 I507 L525 T527 L567 V596 T640 H641 I643 | L484-L598 HydrophobicContact CD2-CB 4.13Å; L484-L598 HydrophobicContact CD2-CD1 3.74Å; T486-L598 HydrophobicContact CG2-CD1 3.64Å; I507-L598 HydrophobicContact CD1-CD1 3.57Å; I507-L598 HydrophobicContact CD1-CD2 3.76Å; I507-L598 HydrophobicContact CD1-CG 4.33Å; I507-L598 HydrophobicContact CG1-CD1 4.02Å; L525-L598 HydrophobicContact CD1-CB 4.27Å; T527-L598 HydrophobicContact CG2-CD2 3.25Å; L567-L598 HydrophobicContact CD1-CD2 3.95Å; V596-L598 HydrophobicContact CG1-CD2 4.17Å; L598-T640 CarbonylContact O-C 3.54Å; L598-T640 WeakPolarHBondContact O-CA 3.49Å; L598-H641 HydrophobicContact CB-CB 4.4Å; L598-H641 PolarHBondContact N-O 2.63Å; L598-H641 PolarHBondContact O-N 3.44Å; L598-I643 HydrophobicContact CD1-CD1 3.5Å; L598-I643 HydrophobicContact CD1-CG1 4.25Å; L598-I643 HydrophobicContact CG-CD1 4.16Å |
| 599 | M | 87.8 | Confident | 76.4 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 14% | 0.138 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 108.8 | -180 | -55.5 | -163.1 | -60.5 | 0 | 0 | 109.6 | L525 L526 H528 V597 Y601 T640 | L525-M599 WeakPolarHBondContact CA-O 3.3Å; L526-M599 HydrophobicContact CB-CB 4.46Å; L526-M599 HydrophobicContact CB-CE 4.46Å; L526-M599 HydrophobicContact CD2-CE 3.65Å; L526-M599 HydrophobicContact CG-CE 4.29Å; L526-M599 PolarHBondContact N-O 3.04Å; L526-M599 PolarHBondContact O-N 2.88Å; H528-M599 WeakPolarHBondContact CD2-CE 3.38Å; H528-M599 WeakPolarHBondContact NE2-CE 3.06Å; V597-M599 HydrophobicContact CG1-CG 3.92Å; V597-M599 HydrophobicContact CG1-SD 4.45Å; M599-Y601 HydrophobicContact CB-CD2 4.29Å; M599-Y601 HydrophobicContact CB-CE2 3.72Å; M599-Y601 HydrophobicContact CE-CE2 4.06Å; M599-T640 HydrophobicContact CG-CG2 3.99Å; M599-T640 HydrophobicContact SD-CG2 4.19Å |
| 600 | L | 88.6 | Confident | 74.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 109.6 | 175.4 | -179.7 | 70.1 | 0 | 0 | 0 | 109.2 | P482 L484 I509 V523 L525 I542 Y602 C638 V639 | P482-L600 HydrophobicContact CB-CD2 4.03Å; L484-L600 HydrophobicContact CD1-CB 4.37Å; L484-L600 HydrophobicContact CD1-CD2 4.45Å; I509-L600 HydrophobicContact CD1-CD1 4.02Å; I509-L600 HydrophobicContact CG2-CD2 3.9Å; V523-L600 HydrophobicContact CG1-CD1 3.7Å; L525-L600 HydrophobicContact CB-CD1 4.45Å; L525-L600 HydrophobicContact CD1-CB 4.25Å; L525-L600 HydrophobicContact CD1-CD1 4.5Å; I542-L600 HydrophobicContact CD1-CD1 4.18Å; L600-Y602 HydrophobicContact CG-CD1 4.46Å; L600-C638 CarbonylContact O-C 3.6Å; L600-C638 WeakPolarHBondContact O-CA 3.43Å; L600-V639 HydrophobicContact CB-CB 4.36Å; L600-V639 PolarHBondContact N-O 2.74Å; L600-V639 PolarHBondContact O-N 3.43Å |
| 601 | Y | 88.8 | Confident | 72.9 | Confident | 62 Ų | 62 | 54 Ų | 54 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.7 | 172.4 | -70.8 | -92.4 | 0 | 0 | 0 | 109.7 | V523 Y524 M599 K637 C638 | V523-Y601 CarbonylContact C-O 3.6Å; V523-Y601 VanDerWaalsContact CA-O 3.28Å; V523-Y601 WeakPolarHBondContact CA-O 3.4Å; V523-Y601 WeakPolarHBondContact CG1-O 3.28Å; Y524-Y601 AromaticContact CD2-CD2 3.84Å; Y524-Y601 HydrophobicContact CD2-CD2 3.84Å; Y524-Y601 HydrophobicContact CD2-CG 4.1Å; Y524-Y601 HydrophobicContact CE1-CG 4.31Å; Y524-Y601 HydrophobicContact CE2-CD1 4.21Å; Y524-Y601 AromaticContact CE2-CD2 3.25Å; Y524-Y601 HydrophobicContact CE2-CD2 3.25Å; Y524-Y601 HydrophobicContact CE2-CE2 4.09Å; Y524-Y601 AromaticContact CE2-CG 3.33Å; Y524-Y601 HydrophobicContact CE2-CG 3.33Å; Y524-Y601 AromaticContact CZ-CD2 3.9Å; Y524-Y601 AromaticContact CZ-CG 3.44Å; Y524-Y601 VanDerWaalsContact CZ-CG 3.44Å; Y524-Y601 PolarHBondContact N-O 2.87Å; Y524-Y601 PolarHBondContact O-N 2.75Å; Y524-Y601 WeakPolarHBondContact OH-CB 3.37Å; Y524-Y601 WeakPolarHBondContact OH-CD1 3.29Å; M599-Y601 HydrophobicContact CB-CD2 4.29Å; M599-Y601 HydrophobicContact CB-CE2 3.72Å; M599-Y601 HydrophobicContact CE-CE2 4.06Å; Y601-K637 WeakPolarHBondContact CA-O 3.37Å; Y601-C638 HydrophobicContact CD1-CB 3.81Å; Y601-C638 HydrophobicContact CE1-CB 3.62Å; Y601-C638 HydrophobicContact CG-CB 4.45Å; Y601-C638 VanDerWaalsContact CZ-SG 3.56Å |
| 602 | Y | 85.8 | Confident | 70.7 | Confident | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 148.6 | 172.4 | 61.2 | -87.6 | 0 | 0 | 0 | 111.3 | L481 P482 F520 P522 L600 F604 T636 K637 V639 | L481-Y602 VanDerWaalsContact CD2-OH 3.25Å; L481-Y602 WeakPolarHBondContact CD2-OH 3.3Å; P482-Y602 VanDerWaalsContact CD-CZ 3.5Å; P482-Y602 WeakPolarHBondContact CD-OH 3.34Å; P482-Y602 HydrophobicContact CG-CD1 3.96Å; P482-Y602 HydrophobicContact CG-CD2 4.43Å; P482-Y602 HydrophobicContact CG-CE1 3.68Å; P482-Y602 HydrophobicContact CG-CE2 4.17Å; P482-Y602 HydrophobicContact CG-CG 4.32Å; F520-Y602 AromaticContact CD1-CD2 3.69Å; F520-Y602 HydrophobicContact CD1-CD2 3.69Å; F520-Y602 HydrophobicContact CD1-CE2 4.23Å; F520-Y602 HydrophobicContact CD1-CG 4.34Å; F520-Y602 HydrophobicContact CE1-CD2 4.1Å; F520-Y602 HydrophobicContact CE1-CE2 4.16Å; P522-Y602 CarbonylContact O-C 3.58Å; P522-Y602 VanDerWaalsContact O-CA 3.29Å; P522-Y602 WeakPolarHBondContact O-CA 3.42Å; L600-Y602 HydrophobicContact CG-CD1 4.46Å; Y602-F604 HydrophobicContact CD2-CB 4.41Å; Y602-F604 HydrophobicContact CE2-CB 4.45Å; Y602-T636 CarbonylContact O-C 3.54Å; Y602-T636 WeakPolarHBondContact O-CA 3.4Å; Y602-K637 HydrophobicContact CD2-CB 4.39Å; Y602-K637 HydrophobicContact CE1-CB 3.95Å; Y602-K637 HydrophobicContact CE2-CB 3.75Å; Y602-K637 HydrophobicContact CE2-CD 4.07Å; Y602-K637 HydrophobicContact CE2-CG 4.26Å; Y602-K637 VanDerWaalsContact CZ-CB 3.5Å; Y602-K637 PolarHBondContact N-O 2.8Å; Y602-K637 PolarHBondContact O-N 2.8Å; Y602-K637 WeakPolarHBondContact OH-CD 3.3Å; Y602-V639 HydrophobicContact CE1-CG2 3.8Å |
| 603 | T | 83.2 | Confident | 68.7 | Low | 16 Ų | 16 | 68.6 Ų | 68.6 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 118.4 | 171 | -57 | 0 | 0 | 0 | 0 | 109.7 | F520 N521 P522 I635 T636 | F520-T603 CarbonylContact C-O 3.56Å; F520-T603 VanDerWaalsContact CA-O 3.27Å; F520-T603 WeakPolarHBondContact CA-O 3.38Å; N521-T603 PolarHBondContact N-O 3Å; N521-T603 WeakPolarHBondContact O-CB 3.15Å; P522-T603 PolarHBondContact O-N 2.85Å; T603-I635 WeakPolarHBondContact CA-O 3.36Å; T603-T636 PolarHBondContact OG1-OG1 2.92Å |
| 604 | F | 82.2 | Confident | 66.5 | Low | 36 Ų | 36 | 75.1 Ų | 75.1 | 16% | 0.158 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.8 | 179.7 | 177.9 | -106.6 | 0 | 0 | 0 | 111.3 | Y515 Q519 F520 Y602 P606 S634 I635 | Y515-F604 AromaticContact CD1-CE2 3.93Å; Y515-F604 HydrophobicContact CD1-CE2 3.93Å; Y515-F604 AromaticContact CD1-CZ 3.85Å; Y515-F604 HydrophobicContact CD1-CZ 3.85Å; Y515-F604 HydrophobicContact CD2-CE2 4.19Å; Y515-F604 HydrophobicContact CD2-CZ 4.47Å; Y515-F604 HydrophobicContact CE1-CE2 4.34Å; Y515-F604 AromaticContact CE1-CZ 3.83Å; Y515-F604 HydrophobicContact CE1-CZ 3.83Å; Y515-F604 HydrophobicContact CE2-CZ 4.47Å; Y515-F604 AromaticContact CG-CE2 3.85Å; Y515-F604 HydrophobicContact CG-CE2 3.85Å; Y515-F604 HydrophobicContact CG-CZ 4.19Å; Q519-F604 HydrophobicContact CB-CD2 4.15Å; Q519-F604 HydrophobicContact CB-CE2 4.01Å; Q519-F604 CarbonylContact O-C 3.54Å; Q519-F604 VanDerWaalsContact O-CA 3.25Å; Q519-F604 WeakPolarHBondContact O-CA 3.38Å; Q519-F604 VanDerWaalsContact OE1-CE2 3.27Å; F520-F604 HydrophobicContact CD1-CB 4.34Å; F520-F604 AromaticContact CD1-CD2 3.94Å; F520-F604 HydrophobicContact CD1-CD2 3.94Å; F520-F604 HydrophobicContact CE1-CB 4.3Å; F520-F604 AromaticContact CE1-CD2 3.49Å; F520-F604 HydrophobicContact CE1-CD2 3.49Å; F520-F604 VanDerWaalsContact CE1-CD2 3.49Å; F520-F604 HydrophobicContact CE1-CE2 4.23Å; F520-F604 HydrophobicContact CE1-CG 4.25Å; F520-F604 HydrophobicContact CE2-CD2 4.27Å; F520-F604 HydrophobicContact CE2-CE2 4.4Å; F520-F604 HydrophobicContact CG-CD2 4.5Å; F520-F604 AromaticContact CZ-CD2 3.67Å; F520-F604 HydrophobicContact CZ-CD2 3.67Å; F520-F604 AromaticContact CZ-CE2 3.94Å; F520-F604 HydrophobicContact CZ-CE2 3.94Å; Y602-F604 HydrophobicContact CD2-CB 4.41Å; Y602-F604 HydrophobicContact CE2-CB 4.45Å; F604-P606 HydrophobicContact CE1-CB 4.01Å; F604-P606 HydrophobicContact CE1-CG 4.44Å; F604-P606 HydrophobicContact CZ-CB 4.42Å; F604-S634 CarbonylContact O-C 3.54Å; F604-S634 WeakPolarHBondContact O-CA 3.42Å; F604-I635 PolarHBondContact N-O 3.07Å; F604-I635 PolarHBondContact O-N 3.42Å |
| 605 | T | 77.6 | Confident | 64.3 | Low | 54 Ų | 54 | 82.1 Ų | 82.1 | 33% | 0.331 | 42% | 0.417 | S | S | . | . | trans | -112.6 | 107.7 | 175.4 | 39.8 | 0 | 0 | 0 | 0 | 110.7 | Q519 L607 S634 | Q519-T605 WeakPolarHBondContact CA-OG1 2.94Å; Q519-T605 WeakPolarHBondContact CB-O 3.37Å; Q519-T605 WeakPolarHBondContact CG-O 3.21Å; Q519-T605 PolarHBondContact O-N 2.75Å; Q519-T605 PolarHBondContact O-OG1 2.74Å; Q519-T605 VanDerWaalsContact O-OG1 3.06Å; T605-L607 PolarHBondContact O-N 3.37Å; T605-S634 VanDerWaalsContact CG2-CB 3.46Å | ||
| 606 | P | 67.2 | Low | 62 | Low | 55 Ų | 55 | 85.1 Ų | 85.1 | 36% | 0.357 | 44% | 0.441 | S | S | . | . | trans | -68.4 | 125.4 | 177.1 | 25.3 | -30.9 | 0 | 0 | 0 | 111 | F604 | F604-P606 HydrophobicContact CE1-CB 4.01Å; F604-P606 HydrophobicContact CE1-CG 4.44Å; F604-P606 HydrophobicContact CZ-CB 4.42Å | ||
| 607 | L | 60.5 | Low | 59.4 | Low | 102 Ų | 102 | 92.4 Ų | 92.4 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | trans | -79.9 | 121.9 | 170.8 | -75.7 | 162.4 | 0 | 0 | 0 | 109.8 | P516 Q519 T605 Y609 | P516-L607 HydrophobicContact CG-CD1 4.09Å; Q519-L607 HydrophobicContact CG-CD1 3.99Å; Q519-L607 HydrophobicContact CG-CG 4.13Å; Q519-L607 VanDerWaalsContact NE2-CB 3.32Å; T605-L607 PolarHBondContact O-N 3.37Å; L607-Y609 PolarHBondContact O-N 2.75Å | ||
| 608 | N | 51.4 | Low | 57.1 | Low | 139 Ų | 139 | 99.8 Ų | 99.8 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | trans | -70 | 95.4 | 164.5 | -79.8 | -16.8 | 0 | 0 | 0 | 109 | K610 | N608-K610 PolarHBondContact O-N 3.17Š| ||
| 609 | Y | 42.4 | Very low | 54.2 | Low | 187 Ų | 187 | 107.1 Ų | 107.1 | 73% | 0.733 | 55% | 0.551 | S | S | * | * | trans | -67.5 | 101.6 | 167.1 | -94.4 | -85.3 | 0 | 0 | 0 | 108.9 | L607 N611 | L607-Y609 PolarHBondContact O-N 2.75Å; Y609-N611 PolarHBondContact O-N 2.85Å | ||
| 610 | K | 33.5 | Very low | 51.8 | Low | 192 Ų | 192 | 114 Ų | 114 | 84% | 0.835 | 59% | 0.586 | S | S | * | * | trans | -70 | 103.1 | 155.5 | -81.7 | -175.3 | 175.7 | 179.9 | 0 | 106.9 | N608 N612 | N608-K610 PolarHBondContact O-N 3.17Å; K610-N612 PolarHBondContact O-N 3.21Å | ||
| 611 | N | 33.9 | Very low | 48.9 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 81% | 0.807 | 62% | 0.624 | S | S | * | * | trans | -58 | 99.4 | 167.4 | -101.5 | -7.9 | 0 | 0 | 0 | 109 | Y609 | Y609-N611 PolarHBondContact O-N 2.85Š| ||
| 612 | N | 29.6 | Very low | 46 | Very low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 65% | 0.653 | S | S | * | * | trans | -98.4 | 92.1 | 154.8 | -89.2 | -3.8 | 0 | 0 | 0 | 106.2 | K610 | K610-N612 PolarHBondContact O-N 3.21Š| ||
| 613 | N | 35.6 | Very low | 43.4 | Very low | 162 Ų | 162 | 129 Ų | 129 | 87% | 0.866 | 69% | 0.686 | S | S | * | * | trans | -155.4 | 115 | 150 | -95.2 | -20.2 | 0 | 0 | 0 | 108.8 | ||||
| 614 | N | 31.5 | Very low | 40.9 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | trans | -59.5 | 129.5 | 176.5 | -64.6 | -33.8 | 0 | 0 | 0 | 110.8 | ||||
| 615 | N | 32.3 | Very low | 38.3 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | 148.5 | 136.4 | 121.3 | -78.1 | -24.6 | 0 | 0 | 0 | 112.8 | |||||
| 616 | S | 33.2 | Very low | 35.9 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 63.6 | 95 | 164.1 | 50 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 617 | N | 29.8 | Very low | 34 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | 71.4 | 93.9 | 86.2 | -74.8 | -5.1 | 0 | 0 | 0 | 112.7 | |||||
| 618 | E | 35.7 | Very low | 32.5 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -162 | 127.3 | 130.6 | -107.1 | 172.2 | -158.9 | 0 | 0 | 110.1 | ||||
| 619 | N | 28.6 | Very low | 31.3 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -75.4 | 129.9 | -168.2 | -64.5 | -46 | 0 | 0 | 0 | 112.6 | ||||
| 620 | I | 35.5 | Very low | 30.8 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -140.8 | 113.7 | 143.8 | -58.4 | -177.4 | 0 | 0 | 0 | 108.8 | ||||
| 621 | N | 27.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -62.1 | 138.2 | 172.3 | -73.3 | -29 | 0 | 0 | 0 | 111.6 | ||||
| 622 | C | 28.8 | Very low | 31.4 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 86% | 0.858 | 79% | 0.793 | S | S | * | * | trans | -158.3 | 150 | 140.1 | -99 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 623 | P | 31.7 | Very low | 32.7 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -89.5 | 154.4 | -141.1 | 33.8 | -35.3 | 0 | 0 | 0 | 114.9 | N625 | P623-N625 PolarHBondContact O-N 2.84Š| ||
| 624 | T | 29.1 | Very low | 34.2 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -60.7 | 112 | 167.3 | 47.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 625 | N | 28.2 | Very low | 36.3 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | -126.4 | 125.5 | 155.8 | -94.3 | -15.7 | 0 | 0 | 0 | 108.5 | P623 S627 | P623-N625 PolarHBondContact O-N 2.84Å; N625-S627 PolarHBondContact O-N 2.82Å; N625-S627 VanDerWaalsContact O-N 3.15Å | ||
| 626 | N | 26.6 | Very low | 38.5 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | trans | -58.6 | 108 | 174.6 | -74.3 | -27.1 | 0 | 0 | 0 | 110.6 | ||||
| 627 | S | 27.8 | Very low | 40.9 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -164.1 | 127 | 156.1 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | N625 | N625-S627 PolarHBondContact O-N 2.82Å; N625-S627 VanDerWaalsContact O-N 3.15Å | ||
| 628 | M | 28.5 | Very low | 43.5 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | trans | 67.6 | 95.4 | 164.9 | -60.1 | -162.4 | 172.3 | 0 | 0 | 116.8 | F630 | M628-F630 VanDerWaalsContact C-N 3.28Å; M628-F630 HydrophobicContact CB-CD2 4.28Å; M628-F630 HydrophobicContact CB-CE2 4.26Å; M628-F630 PolarHBondContact O-N 2.82Å | ||
| 629 | S | 27.4 | Very low | 45.8 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | trans | -52.5 | 97.4 | 142.7 | 51.4 | 0 | 0 | 0 | 0 | 108.5 | N631 | S629-N631 VanDerWaalsContact C-N 3.3Å; S629-N631 PolarHBondContact O-N 2.67Å | ||
| 630 | F | 32 | Very low | 48.3 | Very low | 178 Ų | 178 | 117.2 Ų | 117.2 | 78% | 0.781 | 66% | 0.656 | S | S | * | * | trans | -64.6 | 97.3 | 167.7 | -89.7 | -88.9 | 0 | 0 | 0 | 107.8 | M628 S632 | M628-F630 VanDerWaalsContact C-N 3.28Å; M628-F630 HydrophobicContact CB-CD2 4.28Å; M628-F630 HydrophobicContact CB-CE2 4.26Å; M628-F630 PolarHBondContact O-N 2.82Å; F630-S632 PolarHBondContact O-N 2.87Å | ||
| 631 | N | 34.5 | Very low | 50.6 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | trans | -50.5 | 131 | 166.6 | -83 | -18 | 0 | 0 | 0 | 108.3 | S629 R633 | S629-N631 VanDerWaalsContact C-N 3.3Å; S629-N631 PolarHBondContact O-N 2.67Å; N631-R633 HydrophobicContact CB-CG 4.2Å; N631-R633 PolarHBondContact O-N 2.85Å | ||
| 632 | S | 44.7 | Very low | 53.2 | Low | 92 Ų | 92 | 108.1 Ų | 108.1 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | trans | -59.9 | 75.8 | 167.7 | 51.5 | 0 | 0 | 0 | 0 | 109.7 | F630 S634 | F630-S632 PolarHBondContact O-N 2.87Å; S632-S634 PolarHBondContact O-N 2.88Å | ||
| 633 | R | 57.3 | Low | 55.8 | Low | 169 Ų | 169 | 102.6 Ų | 102.6 | 64% | 0.638 | 57% | 0.574 | S | S | * | * | trans | -81.4 | 115.7 | 179.1 | -77.3 | -175.4 | 175.7 | 171.7 | 0.5 | 108.4 | N631 | N631-R633 HydrophobicContact CB-CG 4.2Å; N631-R633 PolarHBondContact O-N 2.85Å | ||
| 634 | S | 68 | Low | 58.1 | Low | 68 Ų | 68 | 99.5 Ų | 99.5 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | trans | -58.9 | 129.3 | 162.3 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | F604 T605 S632 | F604-S634 CarbonylContact O-C 3.54Å; F604-S634 WeakPolarHBondContact O-CA 3.42Å; T605-S634 VanDerWaalsContact CG2-CB 3.46Å; S632-S634 PolarHBondContact O-N 2.88Å | ||
| 635 | I | 74.8 | Confident | 60.5 | Low | 87 Ų | 87 | 93 Ų | 93 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 117.4 | 177.1 | -56.2 | 173.7 | 0 | 0 | 0 | 108.4 | T603 F604 K637 | T603-I635 WeakPolarHBondContact CA-O 3.36Å; F604-I635 PolarHBondContact N-O 3.07Å; F604-I635 PolarHBondContact O-N 3.42Å; I635-K637 HydrophobicContact CG2-CG 4Å |
| 636 | T | 79.4 | Confident | 62.7 | Low | 89 Ų | 89 | 87 Ų | 87 | 55% | 0.546 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.6 | 170.5 | -48.7 | 0 | 0 | 0 | 0 | 109.4 | Y602 T603 | Y602-T636 CarbonylContact O-C 3.54Å; Y602-T636 WeakPolarHBondContact O-CA 3.4Å; T603-T636 PolarHBondContact OG1-OG1 2.92Å |
| 637 | K | 82.8 | Confident | 65.2 | Low | 93 Ų | 93 | 78.8 Ų | 78.8 | 40% | 0.404 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151.6 | 177.2 | -67 | -173.2 | 176.4 | -175.2 | 0 | 109.7 | L481 Y601 Y602 I635 | L481-K637 HydrophobicContact CD2-CD 4.4Å; Y601-K637 WeakPolarHBondContact CA-O 3.37Å; Y602-K637 HydrophobicContact CD2-CB 4.39Å; Y602-K637 HydrophobicContact CE1-CB 3.95Å; Y602-K637 HydrophobicContact CE2-CB 3.75Å; Y602-K637 HydrophobicContact CE2-CD 4.07Å; Y602-K637 HydrophobicContact CE2-CG 4.26Å; Y602-K637 VanDerWaalsContact CZ-CB 3.5Å; Y602-K637 PolarHBondContact N-O 2.8Å; Y602-K637 PolarHBondContact O-N 2.8Å; Y602-K637 WeakPolarHBondContact OH-CD 3.3Å; I635-K637 HydrophobicContact CG2-CG 4Å |
| 638 | C | 84 | Confident | 67.4 | Low | 53 Ų | 53 | 76.2 Ų | 76.2 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.4 | 172.5 | -179.2 | 0 | 0 | 0 | 0 | 109 | L600 Y601 | L600-C638 CarbonylContact O-C 3.6Å; L600-C638 WeakPolarHBondContact O-CA 3.43Å; Y601-C638 HydrophobicContact CD1-CB 3.81Å; Y601-C638 HydrophobicContact CE1-CB 3.62Å; Y601-C638 HydrophobicContact CG-CB 4.45Å; Y601-C638 VanDerWaalsContact CZ-SG 3.56Å |
| 639 | V | 83.7 | Confident | 69.5 | Low | 39 Ų | 39 | 69.5 Ų | 69.5 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.3 | 171.3 | 171.5 | 0 | 0 | 0 | 0 | 107.4 | L600 Y602 | L600-V639 HydrophobicContact CB-CB 4.36Å; L600-V639 PolarHBondContact N-O 2.74Å; L600-V639 PolarHBondContact O-N 3.43Å; Y602-V639 HydrophobicContact CE1-CG2 3.8Å |
| 640 | T | 81.8 | Confident | 71.7 | Confident | 96 Ų | 96 | 64.5 Ų | 64.5 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.6 | 177.4 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | L598 M599 | L598-T640 CarbonylContact O-C 3.54Å; L598-T640 WeakPolarHBondContact O-CA 3.49Å; M599-T640 HydrophobicContact CG-CG2 3.99Å; M599-T640 HydrophobicContact SD-CG2 4.19Å |
| 641 | H | 83.7 | Confident | 73.7 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 126 | 178 | -174.7 | 76.8 | 0 | 0 | 0 | 109.6 | L484 T486 L598 | L484-H641 HydrophobicContact CD2-CB 3.38Å; T486-H641 PolarHBondContact OG1-NE2 3.49Å; L598-H641 HydrophobicContact CB-CB 4.4Å; L598-H641 PolarHBondContact N-O 2.63Å; L598-H641 PolarHBondContact O-N 3.44Å |
| 642 | C | 82.8 | Confident | 75.6 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128 | -176 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 643 | I | 82.1 | Confident | 77.2 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.1 | 175.5 | -58.3 | 174.7 | 0 | 0 | 0 | 108.1 | T486 I488 I505 N595 V596 L598 | T486-I643 HydrophobicContact CG2-CD1 3.83Å; T486-I643 HydrophobicContact CG2-CG1 4.42Å; I488-I643 HydrophobicContact CD1-CG2 3.65Å; I488-I643 HydrophobicContact CG1-CG2 4.02Å; I505-I643 HydrophobicContact CD1-CD1 4.47Å; I505-I643 HydrophobicContact CG2-CD1 3.44Å; I505-I643 VanDerWaalsContact CG2-CD1 3.44Å; N595-I643 CarbonylContact C-O 3.55Å; N595-I643 WeakPolarHBondContact CA-O 3.43Å; V596-I643 HydrophobicContact CB-CB 4.31Å; V596-I643 PolarHBondContact N-O 3.08Å; V596-I643 PolarHBondContact O-N 3.09Å; L598-I643 HydrophobicContact CD1-CD1 3.5Å; L598-I643 HydrophobicContact CD1-CG1 4.25Å; L598-I643 HydrophobicContact CG-CD1 4.16Å |
| 644 | K | 81.3 | Confident | 78.2 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.9 | 174 | -175.4 | 149.2 | 168.6 | 175.9 | 0 | 110.7 | M594 Q755 F759 | M594-K644 HydrophobicContact CB-CG 4.5Å; K644-Q755 PolarHBondContact NZ-O 2.98Å; K644-Q755 VanDerWaalsContact NZ-O 3.11Å; K644-F759 HydrophobicContact CB-CE2 3.87Å; K644-F759 HydrophobicContact CB-CZ 4.14Å; K644-F759 HydrophobicContact CD-CD2 3.39Å; K644-F759 HydrophobicContact CD-CE2 3.59Å; K644-F759 HydrophobicContact CD-CG 3.94Å; K644-F759 HydrophobicContact CD-CZ 4.3Å; K644-F759 VanDerWaalsContact CE-CD2 3.48Å; K644-F759 VanDerWaalsContact CE-CG 3.5Å; K644-F759 HydrophobicContact CG-CD2 4.1Å; K644-F759 HydrophobicContact CG-CE2 3.85Å; K644-F759 HydrophobicContact CG-CZ 4.1Å |
| 645 | L | 78.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -79 | 143.5 | 174.6 | -69.2 | 178 | 0 | 0 | 0 | 110.4 | I488 I505 I533 M594 V596 L649 | I488-L645 HydrophobicContact CD1-CD2 4.16Å; I505-L645 HydrophobicContact CD1-CD2 4.48Å; I533-L645 HydrophobicContact CD1-CD1 4.11Å; I533-L645 HydrophobicContact CG1-CD1 4.31Å; I533-L645 HydrophobicContact CG2-CD1 4Å; M594-L645 WeakPolarHBondContact CB-O 3.47Å; M594-L645 HydrophobicContact CE-CB 3.64Å; M594-L645 WeakPolarHBondContact CE-O 3.49Å; M594-L645 PolarHBondContact O-N 2.99Å; V596-L645 HydrophobicContact CG2-CD1 3.67Å; V596-L645 HydrophobicContact CG2-CG 3.98Å; L645-L649 HydrophobicContact CB-CD1 4.29Å; L645-L649 HydrophobicContact CD2-CD1 4.27Å |
| 646 | P | 75.6 | Confident | 78.9 | Confident | 27 Ų | 27 | 41.3 Ų | 41.3 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 132.2 | 176.6 | 29 | -33 | 0 | 0 | 0 | 110.8 | I648 L649 | P646-I648 HydrophobicContact CB-CG2 4.21Å; P646-I648 PolarHBondContact O-N 3.37Å; P646-I648 VanDerWaalsContact O-N 3.09Å; P646-L649 HydrophobicContact CG-CD1 3.99Å; P646-L649 HydrophobicContact CG-CG 4.12Å; P646-L649 WeakPolarHBondContact O-CB 3.3Å; P646-L649 WeakPolarHBondContact O-CG 3.46Å; P646-L649 PolarHBondContact O-N 3.08Å; P646-L649 VanDerWaalsContact O-N 3.08Å |
| 647 | I | 78.9 | Confident | 78.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -61.2 | -22.5 | -174.8 | -164.3 | 165.7 | 0 | 0 | 0 | 114.2 | M594 L649 F650 A651 F691 F714 P752 E756 | M594-I647 HydrophobicContact CG-CB 4.49Å; M594-I647 HydrophobicContact SD-CG1 4.34Å; I647-L649 PolarHBondContact O-N 3.21Å; I647-L649 VanDerWaalsContact O-N 3.07Å; I647-F650 PolarHBondContact O-N 3.49Å; I647-A651 PolarHBondContact O-N 3.38Å; I647-A651 VanDerWaalsContact O-N 3.16Å; I647-F691 HydrophobicContact CG2-CE1 3.61Å; I647-F691 HydrophobicContact CG2-CE2 4.12Å; I647-F691 HydrophobicContact CG2-CZ 3.26Å; I647-F714 HydrophobicContact CD1-CE1 4.1Å; I647-F714 HydrophobicContact CG1-CE1 4.33Å; I647-P752 HydrophobicContact CD1-CB 3.47Å; I647-P752 VanDerWaalsContact CD1-CB 3.47Å; I647-P752 WeakPolarHBondContact CD1-O 3.44Å; I647-E756 HydrophobicContact CG2-CB 4.01Å; I647-E756 VanDerWaalsContact CG2-CD 3.49Å; I647-E756 HydrophobicContact CG2-CG 3.69Å; I647-E756 WeakPolarHBondContact CG2-OE2 3.23Å |
| 648 | I | 73.3 | Confident | 78.6 | Confident | 47 Ų | 47 | 38.7 Ų | 38.7 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -62.7 | -11.6 | 174.9 | -170.3 | 154.6 | 0 | 0 | 0 | 113.8 | P646 F650 N690 | P646-I648 HydrophobicContact CB-CG2 4.21Å; P646-I648 PolarHBondContact O-N 3.37Å; P646-I648 VanDerWaalsContact O-N 3.09Å; I648-F650 PolarHBondContact O-N 3.24Å; I648-N690 WeakPolarHBondContact CD1-O 3.42Å |
| 649 | L | 72.8 | Confident | 78.1 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -67.2 | -23.5 | 168.6 | -68.7 | 173.2 | 0 | 0 | 0 | 112.3 | L490 L502 C503 L645 P646 I647 | L490-L649 HydrophobicContact CD2-CD2 3.82Å; L502-L649 HydrophobicContact CB-CD2 4.44Å; L502-L649 WeakPolarHBondContact CD2-O 3.43Å; C503-L649 HydrophobicContact CB-CD1 4.27Å; C503-L649 HydrophobicContact CB-CD2 4.5Å; L645-L649 HydrophobicContact CB-CD1 4.29Å; L645-L649 HydrophobicContact CD2-CD1 4.27Å; P646-L649 HydrophobicContact CG-CD1 3.99Å; P646-L649 HydrophobicContact CG-CG 4.12Å; P646-L649 WeakPolarHBondContact O-CB 3.3Å; P646-L649 WeakPolarHBondContact O-CG 3.46Å; P646-L649 PolarHBondContact O-N 3.08Å; P646-L649 VanDerWaalsContact O-N 3.08Å; I647-L649 PolarHBondContact O-N 3.21Å; I647-L649 VanDerWaalsContact O-N 3.07Å |
| 650 | F | 72.9 | Confident | 77.7 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -4.6 | -175.6 | -62.9 | -93.6 | 0 | 0 | 0 | 113.3 | L502 P532 I533 N571 P591 M594 I647 I648 F714 S715 | L502-F650 HydrophobicContact CD1-CD1 4.43Å; L502-F650 HydrophobicContact CD1-CE1 3.57Å; L502-F650 HydrophobicContact CD1-CE2 3.76Å; L502-F650 HydrophobicContact CD1-CZ 3.15Å; P532-F650 HydrophobicContact CG-CD1 3.81Å; P532-F650 HydrophobicContact CG-CE1 3.86Å; I533-F650 HydrophobicContact CB-CZ 4.32Å; I533-F650 HydrophobicContact CD1-CE2 4.47Å; I533-F650 HydrophobicContact CD1-CZ 4.43Å; I533-F650 HydrophobicContact CG1-CE1 4.11Å; I533-F650 HydrophobicContact CG1-CE2 3.83Å; I533-F650 HydrophobicContact CG1-CZ 3.36Å; N571-F650 HydrophobicContact CB-CD1 4.49Å; N571-F650 HydrophobicContact CB-CE1 4.03Å; N571-F650 WeakPolarHBondContact ND2-CD1 3.33Å; P591-F650 HydrophobicContact CG-CB 4.33Å; M594-F650 HydrophobicContact CE-CD2 3.58Å; M594-F650 HydrophobicContact CE-CE2 3.68Å; M594-F650 HydrophobicContact SD-CD2 4.06Å; M594-F650 HydrophobicContact SD-CE2 4.41Å; I647-F650 PolarHBondContact O-N 3.49Å; I648-F650 PolarHBondContact O-N 3.24Å; F650-F714 WeakPolarHBondContact O-CA 3.36Å; F650-S715 PolarHBondContact O-N 3.17Å |
| 651 | A | 75.7 | Confident | 77.3 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I647 F691 V712 S713 F714 | I647-A651 PolarHBondContact O-N 3.38Å; I647-A651 VanDerWaalsContact O-N 3.16Å; A651-F691 HydrophobicContact CB-CE1 4.09Å; A651-V712 HydrophobicContact CB-CG1 3.78Å; A651-S713 CarbonylContact C-O 3.53Å; A651-S713 VanDerWaalsContact CA-O 3.24Å; A651-S713 WeakPolarHBondContact CA-O 3.26Å; A651-F714 HydrophobicContact CB-CD1 3.99Å; A651-F714 HydrophobicContact CB-CE1 4.11Å |
| 652 | S | 74.3 | Confident | 76.9 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.3 | 166.5 | 43.8 | 0 | 0 | 0 | 0 | 110 | V712 S713 | S652-V712 WeakPolarHBondContact O-CA 3.25Å; S652-S713 PolarHBondContact N-O 3.36Å; S652-S713 PolarHBondContact O-N 2.64Å; S652-S713 PolarHBondContact O-OG 3.08Å; S652-S713 PolarHBondContact OG-O 3.48Å; S652-S713 PolarHBondContact OG-OG 3.43Å |
| 653 | S | 77 | Confident | 76.5 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.9 | -179.5 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | F691 Y711 | S653-F691 WeakPolarHBondContact CB-O 3.27Å; S653-F691 VanDerWaalsContact OG-C 3.31Å; S653-F691 PolarHBondContact OG-O 2.88Å; S653-Y711 CarbonylContact C-O 3.59Å; S653-Y711 WeakPolarHBondContact CA-O 3.37Å |
| 654 | T | 78.2 | Confident | 76.4 | Confident | 70 Ų | 70 | 52 Ų | 52 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 159.4 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | Y711 | T654-Y711 PolarHBondContact N-O 2.82Å; T654-Y711 WeakPolarHBondContact O-CB 3.44Å; T654-Y711 PolarHBondContact O-N 3.45Å; T654-Y711 WeakPolarHBondContact OG1-CD1 3.26Å |
| 655 | F | 79 | Confident | 76.6 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.1 | 170.2 | -75.9 | -68.4 | 0 | 0 | 0 | 110.3 | L692 P693 F700 F708 L710 | F655-L692 HydrophobicContact CE2-CD2 4.03Å; F655-L692 HydrophobicContact CZ-CD2 3.78Å; F655-P693 HydrophobicContact CD2-CG 3.65Å; F655-P693 HydrophobicContact CE2-CG 3.7Å; F655-F700 HydrophobicContact CD2-CZ 4.47Å; F655-F708 HydrophobicContact CB-CD1 4.41Å; F655-F708 HydrophobicContact CD1-CB 4.28Å; F655-L710 HydrophobicContact CE1-CD1 4.44Å |
| 656 | V | 79.7 | Confident | 76.9 | Confident | 21 Ų | 21 | 53 Ų | 53 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.5 | -179.5 | 168.2 | 0 | 0 | 0 | 0 | 109 | Q660 T709 Y711 Y729 | V656-Q660 HydrophobicContact CG1-CB 3.54Å; V656-Q660 HydrophobicContact CG1-CG 4.43Å; V656-Q660 VanDerWaalsContact CG1-OE1 3.32Å; V656-T709 PolarHBondContact N-O 2.56Å; V656-T709 PolarHBondContact O-N 3.21Å; V656-T709 PolarHBondContact O-OG1 3.34Å; V656-Y711 VanDerWaalsContact CG2-CB 3.48Å; V656-Y711 HydrophobicContact CG2-CG 3.96Å; V656-Y729 HydrophobicContact CG1-CE1 4.16Å |
| 657 | H | 78.9 | Confident | 77.3 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 29% | 0.292 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 141.8 | 177.8 | -171.6 | -91.5 | 0 | 0 | 0 | 110.7 | N659 Q660 | H657-N659 VanDerWaalsContact CE1-CG 3.42Å; H657-N659 PolarHBondContact CE1-ND2 3.4Å; H657-N659 WeakPolarHBondContact ND1-CB 3.43Å; H657-N659 PolarHBondContact ND1-N 3.4Å; H657-N659 PolarHBondContact O-N 3.39Å; H657-Q660 WeakPolarHBondContact O-CB 3.48Å; H657-Q660 PolarHBondContact O-N 3.13Å |
| 658 | K | 76.2 | Confident | 77.5 | Confident | 64 Ų | 64 | 53 Ų | 53 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -52.5 | -26.8 | -178.1 | -80.4 | 179.6 | 178.2 | -178.4 | 0 | 115 | Q660 M661 N706 N707 T709 | K658-Q660 PolarHBondContact O-N 2.98Å; K658-M661 VanDerWaalsContact O-CB 3.3Å; K658-M661 WeakPolarHBondContact O-CB 3.34Å; K658-M661 WeakPolarHBondContact O-CG 3.26Å; K658-M661 PolarHBondContact O-N 2.92Å; K658-N706 WeakPolarHBondContact CD-O 3.42Å; K658-N706 WeakPolarHBondContact CE-O 3.45Å; K658-N706 PolarHBondContact NZ-O 3.34Å; K658-N707 WeakPolarHBondContact CG-O 3.42Å; K658-N707 PolarHBondContact N-O 3.42Å; K658-T709 HydrophobicContact CD-CG2 4.25Å; K658-T709 HydrophobicContact CG-CG2 3.51Å |
| 659 | N | 74.5 | Confident | 77.8 | Confident | 142 Ų | 142 | 50.8 Ų | 50.8 | 76% | 0.759 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -71.1 | -15.4 | 178.2 | -63.7 | 0.3 | 0 | 0 | 0 | 113.8 | H657 M661 | H657-N659 VanDerWaalsContact CE1-CG 3.42Å; H657-N659 PolarHBondContact CE1-ND2 3.4Å; H657-N659 WeakPolarHBondContact ND1-CB 3.43Å; H657-N659 PolarHBondContact ND1-N 3.4Å; H657-N659 PolarHBondContact O-N 3.39Å; N659-M661 VanDerWaalsContact C-N 3.34Å |
| 660 | Q | 74.6 | Confident | 77.9 | Confident | 120 Ų | 120 | 51.9 Ų | 51.9 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -95.7 | 7.1 | 179.8 | -65 | 174.8 | -10.2 | 0 | 0 | 112.1 | V656 H657 K658 I662 Y729 | V656-Q660 HydrophobicContact CG1-CB 3.54Å; V656-Q660 HydrophobicContact CG1-CG 4.43Å; V656-Q660 VanDerWaalsContact CG1-OE1 3.32Å; H657-Q660 WeakPolarHBondContact O-CB 3.48Å; H657-Q660 PolarHBondContact O-N 3.13Å; K658-Q660 PolarHBondContact O-N 2.98Å; Q660-I662 PolarHBondContact O-N 2.91Å; Q660-Y729 PolarHBondContact O-OH 3.28Å |
| 661 | M | 73.9 | Confident | 77.8 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | trans | -66.3 | 121 | 176.6 | -76 | -91.5 | 163.2 | 0 | 0 | 112 | K658 N659 T709 Y729 | K658-M661 VanDerWaalsContact O-CB 3.3Å; K658-M661 WeakPolarHBondContact O-CB 3.34Å; K658-M661 WeakPolarHBondContact O-CG 3.26Å; K658-M661 PolarHBondContact O-N 2.92Å; N659-M661 VanDerWaalsContact C-N 3.34Å; M661-T709 HydrophobicContact CE-CG2 3.29Å; M661-T709 WeakPolarHBondContact CE-OG1 3.36Å; M661-Y729 HydrophobicContact CE-CD1 3.62Å; M661-Y729 HydrophobicContact CE-CG 3.83Å; M661-Y729 HydrophobicContact CG-CD1 4.42Å; M661-Y729 WeakPolarHBondContact SD-CB 3.29Å; M661-Y729 HydrophobicContact SD-CD1 3.69Å; M661-Y729 HydrophobicContact SD-CD2 4.25Å; M661-Y729 HydrophobicContact SD-CG 3.46Å | ||
| 662 | I | 73.9 | Confident | 77.3 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 54% | 0.544 | 27% | 0.273 | S | S | . | . | trans | -126.5 | 131.3 | 173 | -54.9 | 172.7 | 0 | 0 | 0 | 107.8 | Q660 Y729 | Q660-I662 PolarHBondContact O-N 2.91Å; I662-Y729 WeakPolarHBondContact O-CD2 3.44Å; I662-Y729 WeakPolarHBondContact O-CE2 3.43Å | ||
| 663 | G | 74.9 | Confident | 76.6 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | 171.1 | 118.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q743 S744 N745 | G663-Q743 PolarHBondContact O-NE2 3.35Å; G663-S744 CarbonylContact C-O 3.46Å; G663-S744 VanDerWaalsContact CA-C 3.45Å; G663-S744 WeakPolarHBondContact CA-O 3.33Å; G663-N745 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 664 | K | 80.7 | Confident | 75.4 | Confident | 186 Ų | 186 | 53.1 Ų | 53.1 | 81% | 0.809 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -67.7 | -36.5 | 174.9 | -68 | -178.8 | -178.9 | 176.2 | 0 | 112.4 | S744 N745 | K664-S744 PolarHBondContact N-O 3.4Å; K664-N745 PolarHBondContact N-OD1 3.42Å; K664-N745 VanDerWaalsContact N-OD1 3.11Å |
| 665 | F | 84.1 | Confident | 73.7 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 11% | 0.114 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.4 | -176.2 | -57.9 | -84.4 | 0 | 0 | 0 | 110.4 | Q743 S744 N745 P747 F750 T813 L814 K817 | F665-Q743 WeakPolarHBondContact O-CA 3.48Å; F665-S744 PolarHBondContact N-O 3.11Å; F665-S744 PolarHBondContact O-N 3.08Å; F665-S744 VanDerWaalsContact O-N 3.14Å; F665-N745 WeakPolarHBondContact CD2-O 3.26Å; F665-N745 WeakPolarHBondContact CE2-O 3.43Å; F665-P747 HydrophobicContact CB-CB 4.11Å; F665-P747 HydrophobicContact CB-CG 4.41Å; F665-P747 HydrophobicContact CD1-CB 4.45Å; F665-P747 HydrophobicContact CD1-CG 4.08Å; F665-P747 HydrophobicContact CD2-CB 4.37Å; F665-P747 VanDerWaalsContact CD2-CD 3.47Å; F665-P747 HydrophobicContact CD2-CG 3.78Å; F665-P747 HydrophobicContact CE1-CG 4.3Å; F665-P747 HydrophobicContact CE2-CG 4Å; F665-P747 HydrophobicContact CG-CB 4.05Å; F665-P747 HydrophobicContact CG-CG 3.81Å; F665-P747 HydrophobicContact CZ-CG 4.26Å; F665-F750 HydrophobicContact CB-CE2 4.07Å; F665-F750 HydrophobicContact CB-CZ 4.18Å; F665-T813 WeakPolarHBondContact CE1-O 3.22Å; F665-L814 HydrophobicContact CD1-CD2 4.46Å; F665-K817 HydrophobicContact CE1-CB 3.8Å; F665-K817 HydrophobicContact CE1-CG 4.24Å; F665-K817 HydrophobicContact CE2-CD 4.45Å; F665-K817 HydrophobicContact CE2-CG 4.45Å; F665-K817 HydrophobicContact CZ-CB 3.85Å; F665-K817 HydrophobicContact CZ-CD 3.9Å; F665-K817 HydrophobicContact CZ-CG 3.85Å |
| 666 | S | 85.4 | Confident | 72.2 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 135.4 | 172.2 | 80.3 | 0 | 0 | 0 | 0 | 113.6 | L742 | S666-L742 CarbonylContact C-O 3.5Å; S666-L742 WeakPolarHBondContact CA-O 3.29Å; S666-L742 WeakPolarHBondContact CB-O 3.32Å |
| 667 | L | 84.2 | Confident | 70.5 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.2 | 171 | -74.8 | 172.3 | 0 | 0 | 0 | 109.3 | F669 K741 L742 F750 L780 L814 L906 I910 | L667-F669 HydrophobicContact CB-CD2 4.34Å; L667-F669 HydrophobicContact CB-CE2 3.64Å; L667-F669 HydrophobicContact CB-CZ 4.1Å; L667-F669 HydrophobicContact CD1-CE2 4.21Å; L667-F669 HydrophobicContact CD1-CZ 4.07Å; L667-F669 HydrophobicContact CG-CE2 4.49Å; L667-K741 CarbonylContact O-C 3.43Å; L667-K741 VanDerWaalsContact O-CA 3.29Å; L667-K741 WeakPolarHBondContact O-CA 3.42Å; L667-L742 HydrophobicContact CB-CB 4.5Å; L667-L742 PolarHBondContact N-O 2.88Å; L667-L742 PolarHBondContact O-N 2.88Å; L667-F750 HydrophobicContact CD1-CB 4.34Å; L667-F750 HydrophobicContact CD1-CD2 3.58Å; L667-F750 HydrophobicContact CD1-CE2 4.16Å; L667-F750 HydrophobicContact CD1-CG 4.2Å; L667-F750 HydrophobicContact CG-CD2 4.16Å; L667-F750 HydrophobicContact CG-CE2 4.23Å; L667-L780 HydrophobicContact CD2-CD1 3.9Å; L667-L814 HydrophobicContact CD1-CD1 4.17Å; L667-L814 HydrophobicContact CD2-CD1 3.77Å; L667-L814 HydrophobicContact CG-CD1 4.21Å; L667-L906 HydrophobicContact CD1-CD1 4.32Å; L667-L906 HydrophobicContact CD1-CD2 4.4Å; L667-I910 HydrophobicContact CD1-CD1 3.86Å; L667-I910 HydrophobicContact CD2-CD1 4.08Å |
| 668 | V | 82.6 | Confident | 68.9 | Low | 27 Ų | 27 | 69.8 Ų | 69.8 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.4 | 176.3 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | K739 K741 Y781 | V668-K739 HydrophobicContact CG1-CB 4.43Å; V668-K739 HydrophobicContact CG1-CD 4.42Å; V668-K741 HydrophobicContact CG2-CB 4.15Å; V668-K741 HydrophobicContact CG2-CD 4.38Å; V668-K741 HydrophobicContact CG2-CG 3.97Å; V668-Y781 HydrophobicContact CG1-CD1 4.2Å; V668-Y781 HydrophobicContact CG1-CG 4.23Å; V668-Y781 WeakPolarHBondContact O-CB 3.33Å; V668-Y781 PolarHBondContact O-N 3.16Å |
| 669 | F | 80 | Confident | 67.6 | Low | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.3 | 177.7 | -63 | -80.8 | 0 | 0 | 0 | 110.4 | L667 K739 F740 L742 L754 I778 I779 L780 C914 | L667-F669 HydrophobicContact CB-CD2 4.34Å; L667-F669 HydrophobicContact CB-CE2 3.64Å; L667-F669 HydrophobicContact CB-CZ 4.1Å; L667-F669 HydrophobicContact CD1-CE2 4.21Å; L667-F669 HydrophobicContact CD1-CZ 4.07Å; L667-F669 HydrophobicContact CG-CE2 4.49Å; F669-K739 VanDerWaalsContact O-CA 3.26Å; F669-K739 WeakPolarHBondContact O-CA 3.32Å; F669-F740 HydrophobicContact CB-CD1 3.82Å; F669-F740 HydrophobicContact CB-CE1 3.31Å; F669-F740 HydrophobicContact CB-CE2 4.06Å; F669-F740 HydrophobicContact CB-CG 4.41Å; F669-F740 HydrophobicContact CB-CZ 3.44Å; F669-F740 VanDerWaalsContact CB-CZ 3.44Å; F669-F740 HydrophobicContact CD2-CD2 4.17Å; F669-F740 HydrophobicContact CD2-CE1 4.18Å; F669-F740 AromaticContact CD2-CE2 3.37Å; F669-F740 HydrophobicContact CD2-CE2 3.37Å; F669-F740 AromaticContact CD2-CZ 3.38Å; F669-F740 HydrophobicContact CD2-CZ 3.38Å; F669-F740 HydrophobicContact CE2-CE2 4.13Å; F669-F740 HydrophobicContact CE2-CZ 4.25Å; F669-F740 HydrophobicContact CG-CE1 4.01Å; F669-F740 HydrophobicContact CG-CE2 4.05Å; F669-F740 AromaticContact CG-CZ 3.59Å; F669-F740 HydrophobicContact CG-CZ 3.59Å; F669-F740 PolarHBondContact N-O 3.4Å; F669-F740 PolarHBondContact O-N 3.07Å; F669-L742 HydrophobicContact CE2-CD1 4.07Å; F669-L754 HydrophobicContact CE2-CD1 4.45Å; F669-L754 HydrophobicContact CE2-CD2 3.89Å; F669-L754 HydrophobicContact CZ-CD1 4.05Å; F669-L754 HydrophobicContact CZ-CD2 4.01Å; F669-I778 HydrophobicContact CB-CG2 3.77Å; F669-I778 HydrophobicContact CD1-CG2 3.4Å; F669-I778 HydrophobicContact CE1-CG2 4.12Å; F669-I778 HydrophobicContact CG-CG2 3.73Å; F669-I779 CarbonylContact C-O 3.46Å; F669-I779 WeakPolarHBondContact CA-O 3.5Å; F669-L780 HydrophobicContact CD1-CD1 4.14Å; F669-L780 HydrophobicContact CE1-CD1 3.92Å; F669-L780 HydrophobicContact CZ-CD1 4.42Å; F669-C914 HydrophobicContact CE1-CB 4.35Å |
| 670 | Q | 74.8 | Confident | 66.5 | Low | 34 Ų | 34 | 72.2 Ų | 72.2 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.9 | 170 | -178.3 | 177 | -35.7 | 0 | 0 | 108.6 | I672 F738 I779 Y781 | Q670-I672 HydrophobicContact CG-CG1 4.29Å; Q670-F738 WeakPolarHBondContact CA-O 3.15Å; Q670-I779 PolarHBondContact N-O 3.01Å; Q670-I779 PolarHBondContact O-N 3.29Å; Q670-Y781 HydrophobicContact CB-CD2 4.35Å |
| 671 | L | 70.9 | Confident | 65.6 | Low | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 132.2 | 172.8 | -76.5 | 134.4 | 0 | 0 | 0 | 110.4 | L687 F738 F740 L776 Y777 I778 | L671-L687 HydrophobicContact CD1-CD1 3.98Å; L671-L687 HydrophobicContact CD1-CD2 4.01Å; L671-L687 HydrophobicContact CD2-CD2 4.45Å; L671-F738 HydrophobicContact CB-CD1 3.81Å; L671-F738 HydrophobicContact CD1-CD1 3.31Å; L671-F738 HydrophobicContact CD1-CE1 3.19Å; L671-F738 HydrophobicContact CD1-CZ 4.43Å; L671-F738 HydrophobicContact CG-CD1 4.16Å; L671-F738 HydrophobicContact CG-CE1 4.44Å; L671-F738 PolarHBondContact N-O 3.4Å; L671-F738 VanDerWaalsContact N-O 3.17Å; L671-F740 HydrophobicContact CD1-CD1 3.64Å; L671-F740 HydrophobicContact CD1-CE1 3.9Å; L671-F740 HydrophobicContact CG-CD1 4.41Å; L671-F740 HydrophobicContact CG-CE1 4.3Å; L671-L776 HydrophobicContact CD2-CB 4.02Å; L671-L776 HydrophobicContact CD2-CD2 4.09Å; L671-Y777 CarbonylContact C-O 3.49Å; L671-Y777 VanDerWaalsContact CA-O 3.29Å; L671-Y777 WeakPolarHBondContact CA-O 3.27Å; L671-I778 HydrophobicContact CD2-CG1 4.19Å |
| 672 | I | 65.3 | Low | 65 | Low | 20 Ų | 20 | 70.2 Ų | 70.2 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.5 | 177.9 | -53.4 | -165.5 | 0 | 0 | 0 | 108.5 | Q670 Y777 I779 | Q670-I672 HydrophobicContact CG-CG1 4.29Å; I672-Y777 PolarHBondContact N-O 3.26Å; I672-Y777 WeakPolarHBondContact O-CD2 3.47Å; I672-Y777 PolarHBondContact O-N 2.86Å; I672-I779 HydrophobicContact CB-CD1 4.22Å; I672-I779 HydrophobicContact CD1-CD1 3.28Å; I672-I779 HydrophobicContact CG1-CD1 3.78Å |
| 673 | T | 60.4 | Low | 64.6 | Low | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 156.6 | 169.8 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | F675 L679 N774 L776 | T673-F675 PolarHBondContact O-N 3.31Å; T673-F675 VanDerWaalsContact O-N 3.08Å; T673-F675 PolarHBondContact OG1-O 2.82Å; T673-L679 HydrophobicContact CG2-CD1 4.38Å; T673-L679 HydrophobicContact CG2-CD2 3.55Å; T673-L679 HydrophobicContact CG2-CG 3.98Å; T673-N774 HydrophobicContact CG2-CB 4.22Å; T673-L776 HydrophobicContact CG2-CD2 3.61Å; T673-L776 HydrophobicContact CG2-CG 4.4Å |
| 674 | K | 50.5 | Low | 64.2 | Low | 70 Ų | 70 | 68.6 Ų | 68.6 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -51.5 | -32 | 177.1 | -73.9 | -172 | 175.3 | 164.8 | 0 | 113.1 | Y777 P923 | K674-Y777 WeakPolarHBondContact CE-OH 3.28Å; K674-Y777 HydrophobicContact CG-CE2 3.71Å; K674-P923 HydrophobicContact CG-CG 4.13Å |
| 675 | F | 43.5 | Very low | 63.5 | Low | 123 Ų | 123 | 62 Ų | 62 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -97.1 | 95.6 | 175.3 | -62.1 | -79.4 | 0 | 0 | 0 | 110 | T673 N677 N774 | T673-F675 PolarHBondContact O-N 3.31Å; T673-F675 VanDerWaalsContact O-N 3.08Å; T673-F675 PolarHBondContact OG1-O 2.82Å; F675-N677 PolarHBondContact O-N 2.8Å; F675-N774 VanDerWaalsContact CD2-OD1 3.28Å; F675-N774 WeakPolarHBondContact CD2-OD1 3.43Å |
| 676 | H | 48.2 | Very low | 62.7 | Low | 136 Ų | 136 | 65 Ų | 65 | 63% | 0.63 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -3.7 | -170.6 | -106.3 | -45 | 0 | 0 | 0 | 117.6 | ||
| 677 | N | 43.6 | Very low | 61.9 | Low | 136 Ų | 136 | 63.2 Ų | 63.2 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | -5.9 | -163.8 | -72.2 | -21.5 | 0 | 0 | 0 | 117.4 | F675 | F675-N677 PolarHBondContact O-N 2.8Š|
| 678 | H | 44 | Very low | 61.3 | Low | 169 Ų | 169 | 63.2 Ų | 63.2 | 78% | 0.782 | 31% | 0.309 | S | S | * | . | trans | -144.2 | 70.1 | 179.9 | -68.2 | -60.6 | 0 | 0 | 0 | 113.7 | K680 | H678-K680 PolarHBondContact O-N 3.27Š| ||
| 679 | L | 50.3 | Low | 60.6 | Low | 63 Ų | 63 | 64.6 Ų | 64.6 | 33% | 0.33 | 32% | 0.318 | S | S | . | . | trans | -75.9 | 109.9 | 157.1 | -87 | 160.8 | 0 | 0 | 0 | 107.9 | T673 V682 F738 L776 | T673-L679 HydrophobicContact CG2-CD1 4.38Å; T673-L679 HydrophobicContact CG2-CD2 3.55Å; T673-L679 HydrophobicContact CG2-CG 3.98Å; L679-V682 HydrophobicContact CD2-CG2 3.72Å; L679-F738 HydrophobicContact CD1-CB 4.43Å; L679-L776 HydrophobicContact CD2-CD2 4.23Å | ||
| 680 | K | 51.2 | Low | 60.1 | Low | 194 Ų | 194 | 67 Ų | 67 | 84% | 0.843 | 33% | 0.331 | S | S | * | . | trans | -52.3 | 139.5 | 151.6 | -87 | -176.1 | 175 | -178.1 | 0 | 106.8 | H678 V682 | H678-K680 PolarHBondContact O-N 3.27Å; K680-V682 PolarHBondContact O-N 3.13Å | ||
| 681 | N | 55.5 | Low | 60 | Low | 98 Ų | 98 | 65.3 Ų | 65.3 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | trans | -46.9 | 111.7 | 178.7 | -68.2 | -22.8 | 0 | 0 | 0 | 109.1 | Y683 | N681-Y683 HydrophobicContact CB-CE2 3.92Å; N681-Y683 VanDerWaalsContact O-CD2 3.22Å; N681-Y683 WeakPolarHBondContact O-CD2 3.46Å; N681-Y683 VanDerWaalsContact O-CE2 3.31Å; N681-Y683 WeakPolarHBondContact O-CE2 3.3Å; N681-Y683 PolarHBondContact O-N 3.32Å | ||
| 682 | V | 60.5 | Low | 59.8 | Low | 18 Ų | 18 | 68.2 Ų | 68.2 | 11% | 0.109 | 34% | 0.338 | C | S | . | . | trans | -81 | 110.1 | 175 | 175.9 | 0 | 0 | 0 | 0 | 105.8 | L679 K680 D686 L687 F738 | L679-V682 HydrophobicContact CD2-CG2 3.72Å; K680-V682 PolarHBondContact O-N 3.13Å; V682-D686 HydrophobicContact CG1-CB 3.86Å; V682-L687 HydrophobicContact CG1-CD1 4.14Å; V682-L687 HydrophobicContact CG1-CD2 3.95Å; V682-L687 HydrophobicContact CG1-CG 3.69Å; V682-F738 HydrophobicContact CB-CD2 4.38Å; V682-F738 HydrophobicContact CB-CE2 3.91Å; V682-F738 HydrophobicContact CB-CZ 3.93Å; V682-F738 HydrophobicContact CG1-CZ 4.24Å; V682-F738 WeakPolarHBondContact O-CE2 3.38Å; V682-F738 WeakPolarHBondContact O-CZ 3.38Å | ||
| 683 | Y | 65.3 | Low | 59.6 | Low | 66 Ų | 66 | 68.8 Ų | 68.8 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | trans | -77.7 | 161.8 | -177.1 | -68 | -87.7 | 0 | 0 | 0 | 110.6 | N681 S685 D686 L687 Y734 | N681-Y683 HydrophobicContact CB-CE2 3.92Å; N681-Y683 VanDerWaalsContact O-CD2 3.22Å; N681-Y683 WeakPolarHBondContact O-CD2 3.46Å; N681-Y683 VanDerWaalsContact O-CE2 3.31Å; N681-Y683 WeakPolarHBondContact O-CE2 3.3Å; N681-Y683 PolarHBondContact O-N 3.32Å; Y683-S685 VanDerWaalsContact CB-OG 3.22Å; Y683-S685 WeakPolarHBondContact CB-OG 3.48Å; Y683-S685 PolarHBondContact O-N 3.46Å; Y683-S685 VanDerWaalsContact O-N 3.16Å; Y683-D686 PolarHBondContact N-OD2 3.17Å; Y683-D686 WeakPolarHBondContact O-CB 3.49Å; Y683-D686 PolarHBondContact O-N 3.37Å; Y683-L687 PolarHBondContact O-N 3.38Å; Y683-Y734 HydrophobicContact CD1-CE1 4.39Å | ||
| 684 | L | 67.1 | Low | 59.5 | Low | 21 Ų | 21 | 77.3 Ų | 77.3 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.6 | -31.6 | 172.2 | -147.1 | 159.2 | 0 | 0 | 0 | 110.6 | D686 L687 F688 L710 V732 Y734 | L684-D686 VanDerWaalsContact C-N 3.26Å; L684-D686 PolarHBondContact O-N 3.16Å; L684-L687 PolarHBondContact O-N 3.35Å; L684-F688 HydrophobicContact CD2-CB 4.2Å; L684-F688 HydrophobicContact CD2-CD2 4.12Å; L684-F688 PolarHBondContact O-N 2.9Å; L684-L710 HydrophobicContact CD1-CB 4.21Å; L684-L710 HydrophobicContact CD2-CB 3.96Å; L684-L710 HydrophobicContact CD2-CD2 3.61Å; L684-L710 HydrophobicContact CD2-CG 4.35Å; L684-V732 HydrophobicContact CB-CG2 4.18Å; L684-V732 HydrophobicContact CD1-CB 4.49Å; L684-V732 HydrophobicContact CD1-CG2 3.78Å; L684-V732 HydrophobicContact CG-CG2 3.75Å; L684-Y734 PolarHBondContact N-OH 2.67Å |
| 685 | S | 67 | Low | 59.4 | Low | 49 Ų | 49 | 81 Ų | 81 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -27.7 | 171.9 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | Y683 P689 | Y683-S685 VanDerWaalsContact CB-OG 3.22Å; Y683-S685 WeakPolarHBondContact CB-OG 3.48Å; Y683-S685 PolarHBondContact O-N 3.46Å; Y683-S685 VanDerWaalsContact O-N 3.16Å; S685-P689 WeakPolarHBondContact O-CA 3.38Å; S685-P689 WeakPolarHBondContact O-CB 3.26Å |
| 686 | D | 66.1 | Low | 59.6 | Low | 89 Ų | 89 | 79.3 Ų | 79.3 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -84.9 | -30.8 | -178.8 | -57.6 | -23.8 | 0 | 0 | 0 | 111.3 | V682 Y683 L684 | V682-D686 HydrophobicContact CG1-CB 3.86Å; Y683-D686 PolarHBondContact N-OD2 3.17Å; Y683-D686 WeakPolarHBondContact O-CB 3.49Å; Y683-D686 PolarHBondContact O-N 3.37Å; L684-D686 VanDerWaalsContact C-N 3.26Å; L684-D686 PolarHBondContact O-N 3.16Å |
| 687 | L | 68.3 | Low | 59.3 | Low | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -85.2 | -36.7 | 179.2 | -69.3 | 169 | 0 | 0 | 0 | 112.9 | L671 V682 Y683 L684 P689 F738 | L671-L687 HydrophobicContact CD1-CD1 3.98Å; L671-L687 HydrophobicContact CD1-CD2 4.01Å; L671-L687 HydrophobicContact CD2-CD2 4.45Å; V682-L687 HydrophobicContact CG1-CD1 4.14Å; V682-L687 HydrophobicContact CG1-CD2 3.95Å; V682-L687 HydrophobicContact CG1-CG 3.69Å; Y683-L687 PolarHBondContact O-N 3.38Å; L684-L687 PolarHBondContact O-N 3.35Å; L687-P689 VanDerWaalsContact C-CD 3.48Å; L687-F738 HydrophobicContact CD1-CE1 3.66Å; L687-F738 HydrophobicContact CD1-CZ 3.73Å |
| 688 | F | 73.1 | Confident | 59.1 | Low | 1 Ų | 1 | 78.1 Ų | 78.1 | 0% | 0.004 | 41% | 0.407 | C | S | . | . | trans | -134.4 | 58.3 | -172.2 | -66.2 | -68.4 | 0 | 0 | 0 | 111.4 | L684 N690 F691 L710 I730 I753 L757 | L684-F688 HydrophobicContact CD2-CB 4.2Å; L684-F688 HydrophobicContact CD2-CD2 4.12Å; L684-F688 PolarHBondContact O-N 2.9Å; F688-N690 PolarHBondContact O-N 2.91Å; F688-F691 HydrophobicContact CB-CB 4.4Å; F688-F691 HydrophobicContact CB-CD2 3.91Å; F688-F691 AromaticContact CD1-CD2 3.7Å; F688-F691 HydrophobicContact CD1-CD2 3.7Å; F688-F691 AromaticContact CD1-CE2 3.87Å; F688-F691 HydrophobicContact CD1-CE2 3.87Å; F688-F691 HydrophobicContact CE1-CE2 4.4Å; F688-F691 HydrophobicContact CG-CD2 4.08Å; F688-F691 PolarHBondContact O-N 3.47Å; F688-F691 VanDerWaalsContact O-N 3.12Å; F688-L710 HydrophobicContact CB-CD2 4.38Å; F688-I730 HydrophobicContact CD2-CD1 4.45Å; F688-I730 HydrophobicContact CD2-CG2 4.16Å; F688-I730 HydrophobicContact CE1-CD1 4.44Å; F688-I730 HydrophobicContact CE2-CD1 4.24Å; F688-I730 HydrophobicContact CE2-CG2 3.77Å; F688-I730 HydrophobicContact CZ-CD1 4.22Å; F688-I753 HydrophobicContact CE1-CG2 3.77Å; F688-I753 HydrophobicContact CZ-CG2 3.88Å; F688-L757 HydrophobicContact CE1-CB 3.93Å; F688-L757 HydrophobicContact CE1-CD1 4.32Å; F688-L757 HydrophobicContact CE2-CD1 4.28Å; F688-L757 HydrophobicContact CZ-CB 4.15Å; F688-L757 HydrophobicContact CZ-CD1 3.7Å; F688-L757 HydrophobicContact CZ-CG 4.39Å | ||
| 689 | P | 67.5 | Low | 58.7 | Low | 55 Ų | 55 | 73.4 Ų | 73.4 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -59.3 | -33.5 | -177.1 | 24.9 | -34.4 | 0 | 0 | 0 | 112 | S685 L687 F691 | S685-P689 WeakPolarHBondContact O-CA 3.38Å; S685-P689 WeakPolarHBondContact O-CB 3.26Å; L687-P689 VanDerWaalsContact C-CD 3.48Å; P689-F691 VanDerWaalsContact C-N 3.3Å; P689-F691 PolarHBondContact O-N 3.25Å |
| 690 | N | 69 | Low | 58.4 | Low | 50 Ų | 50 | 74.1 Ų | 74.1 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -73 | -16.8 | -177.9 | -73.3 | -10.1 | 0 | 0 | 0 | 113.9 | I648 F688 E756 H760 | I648-N690 WeakPolarHBondContact CD1-O 3.42Å; F688-N690 PolarHBondContact O-N 2.91Å; N690-E756 PolarHBondContact ND2-OE1 3.32Å; N690-H760 PolarHBondContact ND2-CE1 3.33Å; N690-H760 VanDerWaalsContact ND2-CE1 3.35Å; N690-H760 PolarHBondContact ND2-NE2 2.79Å |
| 691 | F | 72.3 | Confident | 58 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -97.4 | 3.4 | -179.5 | -69.3 | -56.3 | 0 | 0 | 0 | 113.5 | I647 A651 S653 F688 P689 L710 V712 E756 | I647-F691 HydrophobicContact CG2-CE1 3.61Å; I647-F691 HydrophobicContact CG2-CE2 4.12Å; I647-F691 HydrophobicContact CG2-CZ 3.26Å; A651-F691 HydrophobicContact CB-CE1 4.09Å; S653-F691 WeakPolarHBondContact CB-O 3.27Å; S653-F691 VanDerWaalsContact OG-C 3.31Å; S653-F691 PolarHBondContact OG-O 2.88Å; F688-F691 HydrophobicContact CB-CB 4.4Å; F688-F691 HydrophobicContact CB-CD2 3.91Å; F688-F691 AromaticContact CD1-CD2 3.7Å; F688-F691 HydrophobicContact CD1-CD2 3.7Å; F688-F691 AromaticContact CD1-CE2 3.87Å; F688-F691 HydrophobicContact CD1-CE2 3.87Å; F688-F691 HydrophobicContact CE1-CE2 4.4Å; F688-F691 HydrophobicContact CG-CD2 4.08Å; F688-F691 PolarHBondContact O-N 3.47Å; F688-F691 VanDerWaalsContact O-N 3.12Å; P689-F691 VanDerWaalsContact C-N 3.3Å; P689-F691 PolarHBondContact O-N 3.25Å; F691-L710 HydrophobicContact CB-CD1 4.17Å; F691-L710 HydrophobicContact CB-CD2 3.51Å; F691-L710 HydrophobicContact CB-CG 4.35Å; F691-L710 HydrophobicContact CD2-CD2 4.26Å; F691-L710 HydrophobicContact CG-CD2 4.19Å; F691-L710 WeakPolarHBondContact O-CD1 3.32Å; F691-V712 HydrophobicContact CD1-CG1 4.27Å; F691-V712 HydrophobicContact CD1-CG2 4.17Å; F691-V712 HydrophobicContact CD2-CG2 4.46Å; F691-V712 HydrophobicContact CE1-CG1 3.8Å; F691-V712 HydrophobicContact CE1-CG2 4.34Å; F691-V712 HydrophobicContact CG-CG2 4.24Å; F691-V712 HydrophobicContact CZ-CG1 4.21Å; F691-E756 HydrophobicContact CE2-CB 4.46Å; F691-E756 HydrophobicContact CE2-CG 4.1Å; F691-E756 HydrophobicContact CZ-CG 4.49Å |
| 692 | L | 66.8 | Low | 57.6 | Low | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.346 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -74.6 | 127 | 177.7 | -85.3 | 146.1 | 0 | 0 | 0 | 111.5 | F655 K694 | F655-L692 HydrophobicContact CE2-CD2 4.03Å; F655-L692 HydrophobicContact CZ-CD2 3.78Å; L692-K694 PolarHBondContact O-N 2.9Å |
| 693 | P | 61.5 | Low | 56.9 | Low | 32 Ų | 32 | 76.6 Ų | 76.6 | 21% | 0.208 | 43% | 0.429 | C | S | . | . | trans | -63.3 | 127.6 | 175.6 | 22.9 | -29.9 | 0 | 0 | 0 | 110.5 | F655 N695 | F655-P693 HydrophobicContact CD2-CG 3.65Å; F655-P693 HydrophobicContact CE2-CG 3.7Å; P693-N695 PolarHBondContact O-N 3.39Å | ||
| 694 | K | 58.4 | Low | 56.4 | Low | 185 Ų | 185 | 75.1 Ų | 75.1 | 80% | 0.804 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.5 | -173.7 | -67.9 | -176.6 | 178.4 | -179 | 0 | 114.8 | L692 | L692-K694 PolarHBondContact O-N 2.9Š|
| 695 | N | 48.7 | Very low | 55.8 | Low | 147 Ų | 147 | 77.4 Ų | 77.4 | 79% | 0.786 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -6.4 | -170.1 | -73.3 | 1.2 | 0 | 0 | 0 | 115.2 | P693 | P693-N695 PolarHBondContact O-N 3.39Š|
| 696 | D | 46 | Very low | 55.5 | Low | 88 Ų | 88 | 78.4 Ų | 78.4 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | trans | -108 | 59.8 | 179.9 | -68.1 | -25.4 | 0 | 0 | 0 | 111.3 | T698 F700 | D696-T698 PolarHBondContact O-N 3.44Å; D696-F700 HydrophobicContact CB-CE2 4.09Å | ||
| 697 | T | 43.3 | Very low | 55.5 | Low | 130 Ų | 130 | 78.3 Ų | 78.3 | 80% | 0.798 | 44% | 0.44 | S | S | * | . | trans | -84.1 | 10.9 | 172.3 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 698 | T | 38.8 | Very low | 55.4 | Low | 118 Ų | 118 | 81.6 Ų | 81.6 | 72% | 0.724 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -111.6 | 96.3 | -177.8 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | D696 | D696-T698 PolarHBondContact O-N 3.44Š|
| 699 | G | 35.8 | Very low | 55.5 | Low | 70 Ų | 70 | 81.6 Ų | 81.6 | 72% | 0.722 | 45% | 0.454 | S | S | * | . | trans | 84 | 39.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | N701 | G699-N701 PolarHBondContact O-N 3.32Š| ||
| 700 | F | 44.9 | Very low | 56.2 | Low | 77 Ų | 77 | 79 Ų | 79 | 34% | 0.338 | 44% | 0.437 | S | S | . | . | trans | -79.1 | 94.5 | 165.5 | -82.8 | -80.4 | 0 | 0 | 0 | 111.2 | F655 D696 F708 | F655-F700 HydrophobicContact CD2-CZ 4.47Å; D696-F700 HydrophobicContact CB-CE2 4.09Å; F700-F708 AromaticContact CE1-CD2 3.88Å; F700-F708 HydrophobicContact CE1-CD2 3.88Å; F700-F708 HydrophobicContact CE1-CE2 4.04Å; F700-F708 HydrophobicContact CE1-CG 4.38Å | ||
| 701 | N | 41.6 | Very low | 56.9 | Low | 118 Ų | 118 | 78 Ų | 78 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | trans | -57.1 | 138.8 | 168 | -75.2 | -21 | 0 | 0 | 0 | 110.6 | G699 S703 S704 | G699-N701 PolarHBondContact O-N 3.32Å; N701-S703 PolarHBondContact O-N 2.91Å; N701-S704 PolarHBondContact O-N 2.89Å; N701-S704 PolarHBondContact O-OG 3.31Å | ||
| 702 | E | 47.2 | Very low | 57.3 | Low | 151 Ų | 151 | 78 Ų | 78 | 71% | 0.706 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -21.9 | -177 | -64.7 | -178.1 | 146.8 | 0 | 0 | 114.2 | ||
| 703 | S | 46.7 | Very low | 58 | Low | 94 Ų | 94 | 75.8 Ų | 75.8 | 66% | 0.657 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -27.3 | 176 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | N701 | N701-S703 PolarHBondContact O-N 2.91Š|
| 704 | S | 53.8 | Low | 58.6 | Low | 34 Ų | 34 | 75.1 Ų | 75.1 | 24% | 0.238 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -82.7 | -24.2 | -177.7 | 66.8 | 0 | 0 | 0 | 0 | 113 | N701 N706 N707 F708 | N701-S704 PolarHBondContact O-N 2.89Å; N701-S704 PolarHBondContact O-OG 3.31Å; S704-N706 PolarHBondContact O-N 2.8Å; S704-N707 PolarHBondContact O-N 3.25Å; S704-F708 VanDerWaalsContact O-CD2 3.29Å; S704-F708 WeakPolarHBondContact O-CD2 3.36Å |
| 705 | Q | 55.5 | Low | 58.5 | Low | 70 Ų | 70 | 68.4 Ų | 68.4 | 33% | 0.327 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -58.5 | -23.1 | 177.3 | -71.1 | -171.1 | -5.6 | 0 | 0 | 113.6 | N707 | Q705-N707 VanDerWaalsContact C-N 3.28Å; Q705-N707 PolarHBondContact O-N 3.46Å |
| 706 | N | 60.2 | Low | 58.7 | Low | 69 Ų | 69 | 62.2 Ų | 62.2 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -73 | -14.3 | 176.1 | -93.9 | -31.4 | 0 | 0 | 0 | 114.1 | K658 S704 Y734 | K658-N706 WeakPolarHBondContact CD-O 3.42Å; K658-N706 WeakPolarHBondContact CE-O 3.45Å; K658-N706 PolarHBondContact NZ-O 3.34Å; S704-N706 PolarHBondContact O-N 2.8Å; N706-Y734 WeakPolarHBondContact OD1-CD2 3.43Å |
| 707 | N | 66 | Low | 58.6 | Low | 88 Ų | 88 | 60.4 Ų | 60.4 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -13.4 | -179.5 | -70 | -9.9 | 0 | 0 | 0 | 113.5 | K658 S704 Q705 | K658-N707 WeakPolarHBondContact CG-O 3.42Å; K658-N707 PolarHBondContact N-O 3.42Å; S704-N707 PolarHBondContact O-N 3.25Å; Q705-N707 VanDerWaalsContact C-N 3.28Å; Q705-N707 PolarHBondContact O-N 3.46Å |
| 708 | F | 65.9 | Low | 58.5 | Low | 71 Ų | 71 | 62.9 Ų | 62.9 | 31% | 0.311 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 156.3 | 177.7 | -67.1 | -79 | 0 | 0 | 0 | 111.6 | F655 F700 S704 | F655-F708 HydrophobicContact CB-CD1 4.41Å; F655-F708 HydrophobicContact CD1-CB 4.28Å; F700-F708 AromaticContact CE1-CD2 3.88Å; F700-F708 HydrophobicContact CE1-CD2 3.88Å; F700-F708 HydrophobicContact CE1-CE2 4.04Å; F700-F708 HydrophobicContact CE1-CG 4.38Å; S704-F708 VanDerWaalsContact O-CD2 3.29Å; S704-F708 WeakPolarHBondContact O-CD2 3.36Å |
| 709 | T | 75.9 | Confident | 58.3 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 144.3 | -177.5 | 41.1 | 0 | 0 | 0 | 0 | 109.1 | V656 K658 M661 Y711 | V656-T709 PolarHBondContact N-O 2.56Å; V656-T709 PolarHBondContact O-N 3.21Å; V656-T709 PolarHBondContact O-OG1 3.34Å; K658-T709 HydrophobicContact CD-CG2 4.25Å; K658-T709 HydrophobicContact CG-CG2 3.51Å; M661-T709 HydrophobicContact CE-CG2 3.29Å; M661-T709 WeakPolarHBondContact CE-OG1 3.36Å; T709-Y711 PolarHBondContact O-N 3.15Å |
| 710 | L | 81.6 | Confident | 58.4 | Low | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117 | -177.6 | 178 | 72.3 | 0 | 0 | 0 | 108.1 | F655 L684 F688 F691 V712 Y729 I730 | F655-L710 HydrophobicContact CE1-CD1 4.44Å; L684-L710 HydrophobicContact CD1-CB 4.21Å; L684-L710 HydrophobicContact CD2-CB 3.96Å; L684-L710 HydrophobicContact CD2-CD2 3.61Å; L684-L710 HydrophobicContact CD2-CG 4.35Å; F688-L710 HydrophobicContact CB-CD2 4.38Å; F691-L710 HydrophobicContact CB-CD1 4.17Å; F691-L710 HydrophobicContact CB-CD2 3.51Å; F691-L710 HydrophobicContact CB-CG 4.35Å; F691-L710 HydrophobicContact CD2-CD2 4.26Å; F691-L710 HydrophobicContact CG-CD2 4.19Å; F691-L710 WeakPolarHBondContact O-CD1 3.32Å; L710-V712 HydrophobicContact CD2-CG2 4.12Å; L710-V712 HydrophobicContact CG-CG2 4.03Å; L710-Y729 WeakPolarHBondContact O-CA 3.49Å; L710-I730 HydrophobicContact CB-CB 4.18Å; L710-I730 HydrophobicContact CD2-CB 4.46Å; L710-I730 HydrophobicContact CD2-CD1 3.9Å; L710-I730 PolarHBondContact N-O 3.41Å; L710-I730 PolarHBondContact O-N 2.99Å |
| 711 | Y | 83.1 | Confident | 58.2 | Low | 30 Ų | 30 | 68.7 Ų | 68.7 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.8 | 171.9 | 171.4 | -96.4 | 0 | 0 | 0 | 108 | S653 T654 V656 T709 Q725 C727 Y729 | S653-Y711 CarbonylContact C-O 3.59Å; S653-Y711 WeakPolarHBondContact CA-O 3.37Å; T654-Y711 PolarHBondContact N-O 2.82Å; T654-Y711 WeakPolarHBondContact O-CB 3.44Å; T654-Y711 PolarHBondContact O-N 3.45Å; T654-Y711 WeakPolarHBondContact OG1-CD1 3.26Å; V656-Y711 VanDerWaalsContact CG2-CB 3.48Å; V656-Y711 HydrophobicContact CG2-CG 3.96Å; T709-Y711 PolarHBondContact O-N 3.15Å; Y711-Q725 PolarHBondContact OH-OE1 3Å; Y711-C727 HydrophobicContact CD2-CB 4.28Å; Y711-C727 HydrophobicContact CE2-CB 3.42Å; Y711-C727 VanDerWaalsContact CE2-CB 3.42Å; Y711-Y729 AromaticContact CD2-CD1 3.91Å; Y711-Y729 HydrophobicContact CD2-CD1 3.91Å; Y711-Y729 AromaticContact CD2-CE1 3.45Å; Y711-Y729 HydrophobicContact CD2-CE1 3.45Å; Y711-Y729 VanDerWaalsContact CD2-CE1 3.45Å; Y711-Y729 HydrophobicContact CD2-CE2 4.39Å; Y711-Y729 AromaticContact CD2-CZ 3.7Å; Y711-Y729 HydrophobicContact CE2-CE1 4.14Å; Y711-Y729 AromaticContact CE2-CZ 3.92Å; Y711-Y729 HydrophobicContact CG-CE1 4.41Å |
| 712 | V | 82.1 | Confident | 58.4 | Low | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.8 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | A651 S652 F691 L710 C727 V728 I730 | A651-V712 HydrophobicContact CB-CG1 3.78Å; S652-V712 WeakPolarHBondContact O-CA 3.25Å; F691-V712 HydrophobicContact CD1-CG1 4.27Å; F691-V712 HydrophobicContact CD1-CG2 4.17Å; F691-V712 HydrophobicContact CD2-CG2 4.46Å; F691-V712 HydrophobicContact CE1-CG1 3.8Å; F691-V712 HydrophobicContact CE1-CG2 4.34Å; F691-V712 HydrophobicContact CG-CG2 4.24Å; F691-V712 HydrophobicContact CZ-CG1 4.21Å; L710-V712 HydrophobicContact CD2-CG2 4.12Å; L710-V712 HydrophobicContact CG-CG2 4.03Å; V712-C727 CarbonylContact O-C 3.59Å; V712-C727 VanDerWaalsContact O-CA 3.26Å; V712-C727 WeakPolarHBondContact O-CA 3.34Å; V712-V728 PolarHBondContact N-O 2.99Å; V712-V728 PolarHBondContact O-N 3.16Å; V712-I730 HydrophobicContact CG2-CD1 4Å |
| 713 | S | 80 | Confident | 58.4 | Low | 19 Ų | 19 | 66.7 Ų | 66.7 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.6 | 173 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | A651 S652 S715 | A651-S713 CarbonylContact C-O 3.53Å; A651-S713 VanDerWaalsContact CA-O 3.24Å; A651-S713 WeakPolarHBondContact CA-O 3.26Å; S652-S713 PolarHBondContact N-O 3.36Å; S652-S713 PolarHBondContact O-N 2.64Å; S652-S713 PolarHBondContact O-OG 3.08Å; S652-S713 PolarHBondContact OG-O 3.48Å; S652-S713 PolarHBondContact OG-OG 3.43Å; S713-S715 PolarHBondContact O-N 2.91Å |
| 714 | F | 75.4 | Confident | 58.8 | Low | 17 Ų | 17 | 66.9 Ų | 66.9 | 8% | 0.075 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 112.5 | 175.6 | -66 | -83.4 | 0 | 0 | 0 | 109.1 | L590 P591 I647 F650 A651 G716 Q726 V728 T749 P752 I753 | L590-F714 HydrophobicContact CD2-CD2 4.28Å; L590-F714 HydrophobicContact CD2-CE2 4.43Å; P591-F714 HydrophobicContact CG-CD1 4.25Å; P591-F714 HydrophobicContact CG-CE1 4.22Å; I647-F714 HydrophobicContact CD1-CE1 4.1Å; I647-F714 HydrophobicContact CG1-CE1 4.33Å; F650-F714 WeakPolarHBondContact O-CA 3.36Å; A651-F714 HydrophobicContact CB-CD1 3.99Å; A651-F714 HydrophobicContact CB-CE1 4.11Å; F714-G716 PolarHBondContact O-N 3.17Å; F714-Q726 PolarHBondContact N-O 3.12Å; F714-V728 HydrophobicContact CE2-CG2 4.46Å; F714-T749 HydrophobicContact CD2-CG2 4.39Å; F714-T749 HydrophobicContact CE2-CG2 4.28Å; F714-P752 HydrophobicContact CE1-CB 4.18Å; F714-P752 HydrophobicContact CZ-CB 4.05Å; F714-P752 HydrophobicContact CZ-CG 4.42Å; F714-I753 HydrophobicContact CZ-CG1 4.42Å |
| 715 | S | 56.7 | Low | 59.2 | Low | 45 Ų | 45 | 68.4 Ų | 68.4 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 105.6 | -172 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | F650 S713 | F650-S715 PolarHBondContact O-N 3.17Å; S713-S715 PolarHBondContact O-N 2.91Å |
| 716 | G | 52.5 | Low | 60.1 | Low | 17 Ų | 17 | 66 Ų | 66 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 179.6 | -3.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F714 | F714-G716 PolarHBondContact O-N 3.17Š|
| 717 | L | 43.8 | Very low | 61 | Low | 50 Ų | 50 | 63.4 Ų | 63.4 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -93.2 | 125.1 | -178 | -67.1 | 150.3 | 0 | 0 | 0 | 108.6 | N588 Q719 Q726 | N588-L717 HydrophobicContact CB-CD2 3.65Å; N588-L717 VanDerWaalsContact CG-CD2 3.49Å; L717-Q719 PolarHBondContact O-N 3.1Å; L717-Q726 HydrophobicContact CD1-CB 4.14Å; L717-Q726 HydrophobicContact CD1-CG 4.26Å |
| 718 | K | 41.2 | Very low | 61.9 | Low | 182 Ų | 182 | 59.2 Ų | 59.2 | 79% | 0.791 | 32% | 0.317 | S | S | * | . | trans | -41.6 | 141.4 | 160.1 | -85 | 177.8 | 175.4 | 174 | 0 | 108.3 | M720 | K718-M720 PolarHBondContact O-N 3.27Š| ||
| 719 | Q | 35.3 | Very low | 62.8 | Low | 202 Ų | 202 | 56.9 Ų | 56.9 | 94% | 0.944 | 31% | 0.306 | S | S | * | . | trans | -40.6 | 79.6 | 177.7 | -76.2 | 175.3 | -12.7 | 0 | 0 | 112.4 | L717 | L717-Q719 PolarHBondContact O-N 3.1Š| ||
| 720 | M | 36.6 | Very low | 63.2 | Low | 99 Ų | 99 | 56.9 Ų | 56.9 | 49% | 0.488 | 31% | 0.306 | S | S | . | . | trans | -69.7 | 140.4 | 162.3 | -73.6 | -114.1 | 163.2 | 0 | 0 | 104.5 | K718 N722 | K718-M720 PolarHBondContact O-N 3.27Å; M720-N722 PolarHBondContact O-N 3.46Å | ||
| 721 | S | 41.8 | Very low | 63.1 | Low | 85 Ų | 85 | 57.3 Ų | 57.3 | 59% | 0.594 | 31% | 0.31 | S | S | * | . | trans | -43.9 | 142.9 | 171.5 | 56.5 | 0 | 0 | 0 | 0 | 109.1 | A723 D724 | S721-A723 PolarHBondContact O-N 3.46Å; S721-D724 PolarHBondContact O-N 2.81Å; S721-D724 VanDerWaalsContact O-N 3.16Å | ||
| 722 | N | 46.3 | Very low | 62.7 | Low | 155 Ų | 155 | 56.2 Ų | 56.2 | 83% | 0.829 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -8.3 | -172 | -73.8 | -20 | 0 | 0 | 0 | 115.7 | M720 | M720-N722 PolarHBondContact O-N 3.46Š|
| 723 | A | 46.5 | Very low | 62.1 | Low | 72 Ų | 72 | 61.8 Ų | 61.8 | 60% | 0.595 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -30.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S721 | S721-A723 PolarHBondContact O-N 3.46Š|
| 724 | D | 54.8 | Low | 61.3 | Low | 98 Ų | 98 | 63.4 Ų | 63.4 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -112.5 | 23.9 | -168.8 | -80.7 | -16.9 | 0 | 0 | 0 | 114.2 | S721 | S721-D724 PolarHBondContact O-N 2.81Å; S721-D724 VanDerWaalsContact O-N 3.16Å |
| 725 | Q | 62.6 | Low | 60.5 | Low | 67 Ų | 67 | 68.3 Ų | 68.3 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | trans | -74.3 | 130.2 | 174.8 | -69.6 | -178.4 | -7.4 | 0 | 0 | 111 | Y711 C727 | Y711-Q725 PolarHBondContact OH-OE1 3Å; Q725-C727 VanDerWaalsContact C-N 3.35Å; Q725-C727 PolarHBondContact O-N 3.43Å; Q725-C727 PolarHBondContact O-SG 2.66Å | ||
| 726 | Q | 73.4 | Confident | 60.4 | Low | 20 Ų | 20 | 76.7 Ų | 76.7 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | trans | -63.3 | 94.3 | 168.3 | -71.3 | -179.4 | -8.2 | 0 | 0 | 109.7 | L590 F714 L717 T749 | L590-Q726 VanDerWaalsContact CG-OE1 3.32Å; F714-Q726 PolarHBondContact N-O 3.12Å; L717-Q726 HydrophobicContact CD1-CB 4.14Å; L717-Q726 HydrophobicContact CD1-CG 4.26Å; Q726-T749 HydrophobicContact CB-CG2 4.01Å; Q726-T749 HydrophobicContact CG-CG2 4.5Å | ||
| 727 | C | 80.1 | Confident | 60.7 | Low | 14 Ų | 14 | 79.5 Ų | 79.5 | 10% | 0.095 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153 | -175.3 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | Y711 V712 Q725 S744 | Y711-C727 HydrophobicContact CD2-CB 4.28Å; Y711-C727 HydrophobicContact CE2-CB 3.42Å; Y711-C727 VanDerWaalsContact CE2-CB 3.42Å; V712-C727 CarbonylContact O-C 3.59Å; V712-C727 VanDerWaalsContact O-CA 3.26Å; V712-C727 WeakPolarHBondContact O-CA 3.34Å; Q725-C727 VanDerWaalsContact C-N 3.35Å; Q725-C727 PolarHBondContact O-N 3.43Å; Q725-C727 PolarHBondContact O-SG 2.66Å; C727-S744 VanDerWaalsContact O-CB 3.26Å; C727-S744 WeakPolarHBondContact O-CB 3.21Å; C727-S744 PolarHBondContact O-OG 2.84Å |
| 728 | V | 84.4 | Confident | 61.8 | Low | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.7 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 110 | V712 F714 I730 L742 T749 F750 I753 | V712-V728 PolarHBondContact N-O 2.99Å; V712-V728 PolarHBondContact O-N 3.16Å; F714-V728 HydrophobicContact CE2-CG2 4.46Å; V728-I730 HydrophobicContact CG1-CG1 4.32Å; V728-L742 HydrophobicContact CG1-CB 4.4Å; V728-L742 HydrophobicContact CG1-CD2 4.38Å; V728-T749 HydrophobicContact CG2-CG2 4.36Å; V728-T749 WeakPolarHBondContact CG2-OG1 3.35Å; V728-F750 HydrophobicContact CG1-CD1 4.08Å; V728-F750 HydrophobicContact CG1-CE1 4.07Å; V728-F750 HydrophobicContact CG2-CD1 4.36Å; V728-I753 HydrophobicContact CB-CD1 3.25Å; V728-I753 HydrophobicContact CG1-CD1 3.35Å; V728-I753 HydrophobicContact CG2-CD1 3.39Å |
| 729 | Y | 84.6 | Confident | 63.4 | Low | 21 Ų | 21 | 70.9 Ų | 70.9 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.7 | 171.2 | -61.4 | -89.4 | 0 | 0 | 0 | 110.6 | V656 Q660 M661 I662 L710 Y711 L742 Q743 | V656-Y729 HydrophobicContact CG1-CE1 4.16Å; Q660-Y729 PolarHBondContact O-OH 3.28Å; M661-Y729 HydrophobicContact CE-CD1 3.62Å; M661-Y729 HydrophobicContact CE-CG 3.83Å; M661-Y729 HydrophobicContact CG-CD1 4.42Å; M661-Y729 WeakPolarHBondContact SD-CB 3.29Å; M661-Y729 HydrophobicContact SD-CD1 3.69Å; M661-Y729 HydrophobicContact SD-CD2 4.25Å; M661-Y729 HydrophobicContact SD-CG 3.46Å; I662-Y729 WeakPolarHBondContact O-CD2 3.44Å; I662-Y729 WeakPolarHBondContact O-CE2 3.43Å; L710-Y729 WeakPolarHBondContact O-CA 3.49Å; Y711-Y729 AromaticContact CD2-CD1 3.91Å; Y711-Y729 HydrophobicContact CD2-CD1 3.91Å; Y711-Y729 AromaticContact CD2-CE1 3.45Å; Y711-Y729 HydrophobicContact CD2-CE1 3.45Å; Y711-Y729 VanDerWaalsContact CD2-CE1 3.45Å; Y711-Y729 HydrophobicContact CD2-CE2 4.39Å; Y711-Y729 AromaticContact CD2-CZ 3.7Å; Y711-Y729 HydrophobicContact CE2-CE1 4.14Å; Y711-Y729 AromaticContact CE2-CZ 3.92Å; Y711-Y729 HydrophobicContact CG-CE1 4.41Å; Y729-L742 WeakPolarHBondContact O-CA 3.5Å; Y729-Q743 PolarHBondContact N-O 3.02Å; Y729-Q743 PolarHBondContact O-N 3.05Å |
| 730 | I | 83.9 | Confident | 65.6 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 116.8 | 178.3 | -53.5 | 174.6 | 0 | 0 | 0 | 107.8 | F688 L710 V712 V728 L742 I753 | F688-I730 HydrophobicContact CD2-CD1 4.45Å; F688-I730 HydrophobicContact CD2-CG2 4.16Å; F688-I730 HydrophobicContact CE1-CD1 4.44Å; F688-I730 HydrophobicContact CE2-CD1 4.24Å; F688-I730 HydrophobicContact CE2-CG2 3.77Å; F688-I730 HydrophobicContact CZ-CD1 4.22Å; L710-I730 HydrophobicContact CB-CB 4.18Å; L710-I730 HydrophobicContact CD2-CB 4.46Å; L710-I730 HydrophobicContact CD2-CD1 3.9Å; L710-I730 PolarHBondContact N-O 3.41Å; L710-I730 PolarHBondContact O-N 2.99Å; V712-I730 HydrophobicContact CG2-CD1 4Å; V728-I730 HydrophobicContact CG1-CG1 4.32Å; I730-L742 HydrophobicContact CB-CD2 4.4Å; I730-L742 HydrophobicContact CD1-CD2 4.38Å; I730-L742 HydrophobicContact CG1-CD2 3.73Å; I730-L742 HydrophobicContact CG2-CD2 4.29Å; I730-I753 HydrophobicContact CD1-CD1 4.35Å; I730-I753 HydrophobicContact CD1-CG2 3.76Å |
| 731 | S | 79.4 | Confident | 67.9 | Low | 11 Ų | 11 | 59.2 Ų | 59.2 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.5 | 178.5 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | F740 K741 | S731-F740 CarbonylContact O-C 3.59Å; S731-F740 WeakPolarHBondContact O-CA 3.31Å; S731-K741 PolarHBondContact N-O 2.86Å; S731-K741 PolarHBondContact O-N 2.83Å; S731-K741 WeakPolarHBondContact OG-CB 3.5Å; S731-K741 PolarHBondContact OG-O 3.06Å |
| 732 | V | 75.6 | Confident | 70 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 136.9 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | L684 Y734 F738 F740 | L684-V732 HydrophobicContact CB-CG2 4.18Å; L684-V732 HydrophobicContact CD1-CB 4.49Å; L684-V732 HydrophobicContact CD1-CG2 3.78Å; L684-V732 HydrophobicContact CG-CG2 3.75Å; V732-Y734 HydrophobicContact CB-CE1 4.47Å; V732-Y734 HydrophobicContact CB-CE2 4.5Å; V732-Y734 HydrophobicContact CG1-CD1 3.99Å; V732-Y734 HydrophobicContact CG1-CE1 3.55Å; V732-Y734 HydrophobicContact CG1-CE2 4.26Å; V732-F738 HydrophobicContact CG1-CE1 4.26Å; V732-F738 HydrophobicContact CG1-CE2 3.68Å; V732-F738 HydrophobicContact CG1-CZ 3.47Å; V732-F738 VanDerWaalsContact CG1-CZ 3.47Å; V732-F740 HydrophobicContact CG2-CB 4.2Å |
| 733 | K | 69.8 | Low | 72 | Confident | 117 Ų | 117 | 49.2 Ų | 49.2 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 111 | 172.4 | -73 | -172 | 178.6 | -176.1 | 0 | 109.2 | N735 K739 | K733-N735 VanDerWaalsContact C-N 3.3Å; K733-N735 PolarHBondContact O-N 2.81Å; K733-K739 PolarHBondContact N-O 3.05Å; K733-K739 PolarHBondContact O-N 3.34Å |
| 734 | Y | 63.3 | Low | 74 | Confident | 52 Ų | 52 | 45.8 Ų | 45.8 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | trans | -82 | 73.8 | 176.6 | -51.3 | -76.4 | 0 | 0 | 0 | 110.5 | Y683 L684 N706 V732 F738 | Y683-Y734 HydrophobicContact CD1-CE1 4.39Å; L684-Y734 PolarHBondContact N-OH 2.67Å; N706-Y734 WeakPolarHBondContact OD1-CD2 3.43Å; V732-Y734 HydrophobicContact CB-CE1 4.47Å; V732-Y734 HydrophobicContact CB-CE2 4.5Å; V732-Y734 HydrophobicContact CG1-CD1 3.99Å; V732-Y734 HydrophobicContact CG1-CE1 3.55Å; V732-Y734 HydrophobicContact CG1-CE2 4.26Å; Y734-F738 AromaticContact CD1-CE2 3.99Å; Y734-F738 HydrophobicContact CD1-CE2 3.99Å; Y734-F738 HydrophobicContact CE1-CE2 4.01Å | ||
| 735 | N | 58.5 | Low | 75.4 | Confident | 120 Ų | 120 | 43.5 Ų | 43.5 | 64% | 0.642 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -113.5 | 171.3 | 170.8 | -70.3 | 3 | 0 | 0 | 0 | 109.1 | K733 K737 | K733-N735 VanDerWaalsContact C-N 3.3Å; K733-N735 PolarHBondContact O-N 2.81Å; N735-K737 CarbonylContact O-C 3.6Å; N735-K737 PolarHBondContact O-N 3.44Å |
| 736 | K | 54.7 | Low | 76.4 | Confident | 222 Ų | 222 | 42.6 Ų | 42.6 | 97% | 0.965 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -45.2 | -21.9 | 177.9 | -72.9 | -171.9 | 177.1 | -175.7 | 0 | 115.7 | ||
| 737 | K | 58 | Low | 77 | Confident | 75 Ų | 75 | 41.6 Ų | 41.6 | 33% | 0.326 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -115.3 | 109.4 | 169 | -60 | -172.1 | 178.7 | -165.4 | 0 | 106.3 | N735 K739 | N735-K737 CarbonylContact O-C 3.6Å; N735-K737 PolarHBondContact O-N 3.44Å; K737-K739 WeakPolarHBondContact O-CG 3.24Å; K737-K739 PolarHBondContact O-N 2.66Å |
| 738 | F | 67.6 | Low | 77.2 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | trans | -59.7 | 120.6 | 179.1 | -172.5 | -85.6 | 0 | 0 | 0 | 109.8 | Q670 L671 L679 V682 L687 V732 Y734 | Q670-F738 WeakPolarHBondContact CA-O 3.15Å; L671-F738 HydrophobicContact CB-CD1 3.81Å; L671-F738 HydrophobicContact CD1-CD1 3.31Å; L671-F738 HydrophobicContact CD1-CE1 3.19Å; L671-F738 HydrophobicContact CD1-CZ 4.43Å; L671-F738 HydrophobicContact CG-CD1 4.16Å; L671-F738 HydrophobicContact CG-CE1 4.44Å; L671-F738 PolarHBondContact N-O 3.4Å; L671-F738 VanDerWaalsContact N-O 3.17Å; L679-F738 HydrophobicContact CD1-CB 4.43Å; V682-F738 HydrophobicContact CB-CD2 4.38Å; V682-F738 HydrophobicContact CB-CE2 3.91Å; V682-F738 HydrophobicContact CB-CZ 3.93Å; V682-F738 HydrophobicContact CG1-CZ 4.24Å; V682-F738 WeakPolarHBondContact O-CE2 3.38Å; V682-F738 WeakPolarHBondContact O-CZ 3.38Å; L687-F738 HydrophobicContact CD1-CE1 3.66Å; L687-F738 HydrophobicContact CD1-CZ 3.73Å; V732-F738 HydrophobicContact CG1-CE1 4.26Å; V732-F738 HydrophobicContact CG1-CE2 3.68Å; V732-F738 HydrophobicContact CG1-CZ 3.47Å; V732-F738 VanDerWaalsContact CG1-CZ 3.47Å; Y734-F738 AromaticContact CD1-CE2 3.99Å; Y734-F738 HydrophobicContact CD1-CE2 3.99Å; Y734-F738 HydrophobicContact CE1-CE2 4.01Å | ||
| 739 | K | 74.3 | Confident | 77.2 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.8 | -178 | -68.2 | 173 | -168.5 | -174.7 | 0 | 111.1 | V668 F669 K733 K737 Y781 | V668-K739 HydrophobicContact CG1-CB 4.43Å; V668-K739 HydrophobicContact CG1-CD 4.42Å; F669-K739 VanDerWaalsContact O-CA 3.26Å; F669-K739 WeakPolarHBondContact O-CA 3.32Å; K733-K739 PolarHBondContact N-O 3.05Å; K733-K739 PolarHBondContact O-N 3.34Å; K737-K739 WeakPolarHBondContact O-CG 3.24Å; K737-K739 PolarHBondContact O-N 2.66Å; K739-Y781 HydrophobicContact CD-CD2 4.21Å; K739-Y781 HydrophobicContact CD-CE2 4.36Å; K739-Y781 HydrophobicContact CD-CG 4.34Å; K739-Y781 VanDerWaalsContact CE-CD2 3.44Å; K739-Y781 VanDerWaalsContact NZ-CE1 3.34Å; K739-Y781 PolarHBondContact NZ-OH 3.44Å |
| 740 | F | 81.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145 | 164.3 | 76.2 | -88.3 | 0 | 0 | 0 | 110 | F669 L671 S731 V732 L742 L754 L757 I778 | F669-F740 HydrophobicContact CB-CD1 3.82Å; F669-F740 HydrophobicContact CB-CE1 3.31Å; F669-F740 HydrophobicContact CB-CE2 4.06Å; F669-F740 HydrophobicContact CB-CG 4.41Å; F669-F740 HydrophobicContact CB-CZ 3.44Å; F669-F740 VanDerWaalsContact CB-CZ 3.44Å; F669-F740 HydrophobicContact CD2-CD2 4.17Å; F669-F740 HydrophobicContact CD2-CE1 4.18Å; F669-F740 AromaticContact CD2-CE2 3.37Å; F669-F740 HydrophobicContact CD2-CE2 3.37Å; F669-F740 AromaticContact CD2-CZ 3.38Å; F669-F740 HydrophobicContact CD2-CZ 3.38Å; F669-F740 HydrophobicContact CE2-CE2 4.13Å; F669-F740 HydrophobicContact CE2-CZ 4.25Å; F669-F740 HydrophobicContact CG-CE1 4.01Å; F669-F740 HydrophobicContact CG-CE2 4.05Å; F669-F740 AromaticContact CG-CZ 3.59Å; F669-F740 HydrophobicContact CG-CZ 3.59Å; F669-F740 PolarHBondContact N-O 3.4Å; F669-F740 PolarHBondContact O-N 3.07Å; L671-F740 HydrophobicContact CD1-CD1 3.64Å; L671-F740 HydrophobicContact CD1-CE1 3.9Å; L671-F740 HydrophobicContact CG-CD1 4.41Å; L671-F740 HydrophobicContact CG-CE1 4.3Å; S731-F740 CarbonylContact O-C 3.59Å; S731-F740 WeakPolarHBondContact O-CA 3.31Å; V732-F740 HydrophobicContact CG2-CB 4.2Å; F740-L742 HydrophobicContact CD2-CD2 4.24Å; F740-L742 HydrophobicContact CD2-CG 4.31Å; F740-L742 HydrophobicContact CE2-CD1 4.41Å; F740-L742 HydrophobicContact CE2-CD2 4.25Å; F740-L742 HydrophobicContact CE2-CG 4.1Å; F740-L754 HydrophobicContact CZ-CD2 4.42Å; F740-L757 HydrophobicContact CE1-CD1 3.98Å; F740-L757 HydrophobicContact CE2-CD1 4.15Å; F740-L757 HydrophobicContact CZ-CD1 3.63Å; F740-I778 HydrophobicContact CE1-CG2 4.21Å; F740-I778 HydrophobicContact CZ-CG2 4.22Å |
| 741 | K | 84.1 | Confident | 77.4 | Confident | 54 Ų | 54 | 41 Ų | 41 | 24% | 0.235 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.9 | -179.7 | 174 | -172.1 | -173.5 | -159.3 | 0 | 108.7 | L667 V668 S731 | L667-K741 CarbonylContact O-C 3.43Å; L667-K741 VanDerWaalsContact O-CA 3.29Å; L667-K741 WeakPolarHBondContact O-CA 3.42Å; V668-K741 HydrophobicContact CG2-CB 4.15Å; V668-K741 HydrophobicContact CG2-CD 4.38Å; V668-K741 HydrophobicContact CG2-CG 3.97Å; S731-K741 PolarHBondContact N-O 2.86Å; S731-K741 PolarHBondContact O-N 2.83Å; S731-K741 WeakPolarHBondContact OG-CB 3.5Å; S731-K741 PolarHBondContact OG-O 3.06Å |
| 742 | L | 86.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.4 | 166 | -56.2 | -179.2 | 0 | 0 | 0 | 108.3 | S666 L667 F669 V728 Y729 I730 F740 F750 I753 L754 | S666-L742 CarbonylContact C-O 3.5Å; S666-L742 WeakPolarHBondContact CA-O 3.29Å; S666-L742 WeakPolarHBondContact CB-O 3.32Å; L667-L742 HydrophobicContact CB-CB 4.5Å; L667-L742 PolarHBondContact N-O 2.88Å; L667-L742 PolarHBondContact O-N 2.88Å; F669-L742 HydrophobicContact CE2-CD1 4.07Å; V728-L742 HydrophobicContact CG1-CB 4.4Å; V728-L742 HydrophobicContact CG1-CD2 4.38Å; Y729-L742 WeakPolarHBondContact O-CA 3.5Å; I730-L742 HydrophobicContact CB-CD2 4.4Å; I730-L742 HydrophobicContact CD1-CD2 4.38Å; I730-L742 HydrophobicContact CG1-CD2 3.73Å; I730-L742 HydrophobicContact CG2-CD2 4.29Å; F740-L742 HydrophobicContact CD2-CD2 4.24Å; F740-L742 HydrophobicContact CD2-CG 4.31Å; F740-L742 HydrophobicContact CE2-CD1 4.41Å; F740-L742 HydrophobicContact CE2-CD2 4.25Å; F740-L742 HydrophobicContact CE2-CG 4.1Å; L742-F750 HydrophobicContact CB-CD1 3.81Å; L742-F750 HydrophobicContact CB-CE1 3.79Å; L742-F750 HydrophobicContact CB-CG 4.49Å; L742-F750 HydrophobicContact CB-CZ 4.45Å; L742-F750 HydrophobicContact CD1-CB 4.28Å; L742-F750 HydrophobicContact CD1-CD1 4.24Å; L742-F750 HydrophobicContact CD1-CG 4.4Å; L742-I753 HydrophobicContact CD1-CG2 4.46Å; L742-I753 HydrophobicContact CD2-CG2 3.94Å; L742-L754 HydrophobicContact CD1-CD2 4.19Å; L742-L754 HydrophobicContact CD1-CG 4.21Å |
| 743 | Q | 88 | Confident | 78 | Confident | 31 Ų | 31 | 40.1 Ų | 40.1 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 131.5 | 178.4 | -177.7 | 166.9 | 1.1 | 0 | 0 | 110.3 | G663 F665 Y729 | G663-Q743 PolarHBondContact O-NE2 3.35Å; F665-Q743 WeakPolarHBondContact O-CA 3.48Å; Y729-Q743 PolarHBondContact N-O 3.02Å; Y729-Q743 PolarHBondContact O-N 3.05Å |
| 744 | S | 88 | Confident | 78.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 160.8 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | G663 K664 F665 C727 H746 T749 | G663-S744 CarbonylContact C-O 3.46Å; G663-S744 VanDerWaalsContact CA-C 3.45Å; G663-S744 WeakPolarHBondContact CA-O 3.33Å; K664-S744 PolarHBondContact N-O 3.4Å; F665-S744 PolarHBondContact N-O 3.11Å; F665-S744 PolarHBondContact O-N 3.08Å; F665-S744 VanDerWaalsContact O-N 3.14Å; C727-S744 VanDerWaalsContact O-CB 3.26Å; C727-S744 WeakPolarHBondContact O-CB 3.21Å; C727-S744 PolarHBondContact O-OG 2.84Å; S744-H746 VanDerWaalsContact C-N 3.34Å; S744-H746 PolarHBondContact OG-N 3.46Å; S744-H746 PolarHBondContact OG-O 3.04Å; S744-T749 PolarHBondContact OG-OG1 3.35Å |
| 745 | N | 84.2 | Confident | 79.4 | Confident | 50 Ų | 50 | 32.9 Ų | 32.9 | 27% | 0.267 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -80.1 | -18.2 | 163.6 | -75.1 | -23.6 | 0 | 0 | 0 | 112.5 | G663 K664 F665 | G663-N745 WeakPolarHBondContact CA-OD1 3.32Å; K664-N745 PolarHBondContact N-OD1 3.42Å; K664-N745 VanDerWaalsContact N-OD1 3.11Å; F665-N745 WeakPolarHBondContact CD2-O 3.26Å; F665-N745 WeakPolarHBondContact CE2-O 3.43Å |
| 746 | H | 84.4 | Confident | 80.3 | Confident | 47 Ų | 47 | 27.2 Ų | 27.2 | 22% | 0.218 | 12% | 0.122 | C | C | . | . | trans | -121.1 | 88.4 | -174.9 | -66.9 | -76.3 | 0 | 0 | 0 | 109.9 | S744 E748 T749 | S744-H746 VanDerWaalsContact C-N 3.34Å; S744-H746 PolarHBondContact OG-N 3.46Å; S744-H746 PolarHBondContact OG-O 3.04Å; H746-E748 HydrophobicContact CB-CG 4.34Å; H746-E748 WeakPolarHBondContact CB-OE1 3.2Å; H746-E748 IonicContact CG-OE1 4Å; H746-E748 IonicContact ND1-OE1 2.74Å; H746-E748 PolarHBondContact ND1-OE1 3.24Å; H746-E748 VanDerWaalsContact ND1-OE1 3.16Å; H746-E748 PolarHBondContact O-N 2.8Å; H746-E748 VanDerWaalsContact O-N 3.15Å; H746-T749 HydrophobicContact CB-CG2 3.91Å; H746-T749 WeakPolarHBondContact O-CB 3.46Å; H746-T749 WeakPolarHBondContact O-CG2 3.27Å; H746-T749 PolarHBondContact O-N 3.03Å; H746-T749 PolarHBondContact O-OG1 2.92Å | ||
| 747 | P | 86.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -63.9 | -19.7 | -174 | 23.2 | -28.7 | 0 | 0 | 0 | 113.9 | F665 T749 F750 L814 K817 L903 | F665-P747 HydrophobicContact CB-CB 4.11Å; F665-P747 HydrophobicContact CB-CG 4.41Å; F665-P747 HydrophobicContact CD1-CB 4.45Å; F665-P747 HydrophobicContact CD1-CG 4.08Å; F665-P747 HydrophobicContact CD2-CB 4.37Å; F665-P747 VanDerWaalsContact CD2-CD 3.47Å; F665-P747 HydrophobicContact CD2-CG 3.78Å; F665-P747 HydrophobicContact CE1-CG 4.3Å; F665-P747 HydrophobicContact CE2-CG 4Å; F665-P747 HydrophobicContact CG-CB 4.05Å; F665-P747 HydrophobicContact CG-CG 3.81Å; F665-P747 HydrophobicContact CZ-CG 4.26Å; P747-T749 PolarHBondContact O-N 3.1Å; P747-T749 VanDerWaalsContact O-N 3.09Å; P747-F750 HydrophobicContact CB-CD2 3.93Å; P747-F750 HydrophobicContact CB-CE2 3.79Å; P747-F750 WeakPolarHBondContact O-CB 3.3Å; P747-F750 WeakPolarHBondContact O-CD2 3.2Å; P747-F750 WeakPolarHBondContact O-CG 3.35Å; P747-F750 PolarHBondContact O-N 3.09Å; P747-L814 HydrophobicContact CB-CD2 3.47Å; P747-L814 VanDerWaalsContact CB-CD2 3.47Å; P747-L814 HydrophobicContact CG-CD2 4.18Å; P747-K817 HydrophobicContact CG-CB 4.27Å; P747-K817 HydrophobicContact CG-CG 3.63Å; P747-L903 HydrophobicContact CB-CD2 4.03Å; P747-L903 HydrophobicContact CG-CD2 4.05Å |
| 748 | E | 83.3 | Confident | 82.1 | Confident | 11 Ų | 11 | 13.6 Ų | 13.6 | 5% | 0.051 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -57.1 | -17.2 | 169.5 | 58.1 | -90.1 | -162.8 | 0 | 0 | 113.8 | L590 H746 S902 L903 | L590-E748 HydrophobicContact CD1-CG 3.88Å; H746-E748 HydrophobicContact CB-CG 4.34Å; H746-E748 WeakPolarHBondContact CB-OE1 3.2Å; H746-E748 IonicContact CG-OE1 4Å; H746-E748 IonicContact ND1-OE1 2.74Å; H746-E748 PolarHBondContact ND1-OE1 3.24Å; H746-E748 VanDerWaalsContact ND1-OE1 3.16Å; H746-E748 PolarHBondContact O-N 2.8Å; H746-E748 VanDerWaalsContact O-N 3.15Å; E748-S902 PolarHBondContact O-OG 3.04Å; E748-L903 HydrophobicContact CB-CG 4.5Å |
| 749 | T | 84.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -82.5 | -10.6 | 175.8 | 61.4 | 0 | 0 | 0 | 0 | 114 | L590 F714 Q726 V728 S744 H746 P747 P752 | L590-T749 HydrophobicContact CD2-CG2 3.76Å; F714-T749 HydrophobicContact CD2-CG2 4.39Å; F714-T749 HydrophobicContact CE2-CG2 4.28Å; Q726-T749 HydrophobicContact CB-CG2 4.01Å; Q726-T749 HydrophobicContact CG-CG2 4.5Å; V728-T749 HydrophobicContact CG2-CG2 4.36Å; V728-T749 WeakPolarHBondContact CG2-OG1 3.35Å; S744-T749 PolarHBondContact OG-OG1 3.35Å; H746-T749 HydrophobicContact CB-CG2 3.91Å; H746-T749 WeakPolarHBondContact O-CB 3.46Å; H746-T749 WeakPolarHBondContact O-CG2 3.27Å; H746-T749 PolarHBondContact O-N 3.03Å; H746-T749 PolarHBondContact O-OG1 2.92Å; P747-T749 PolarHBondContact O-N 3.1Å; P747-T749 VanDerWaalsContact O-N 3.09Å; T749-P752 WeakPolarHBondContact O-CD 3.28Å |
| 750 | F | 88 | Confident | 81.9 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -73.4 | -33.5 | -178 | -64.3 | -29.8 | 0 | 0 | 0 | 113 | F665 L667 V728 L742 P747 I753 L754 L906 | F665-F750 HydrophobicContact CB-CE2 4.07Å; F665-F750 HydrophobicContact CB-CZ 4.18Å; L667-F750 HydrophobicContact CD1-CB 4.34Å; L667-F750 HydrophobicContact CD1-CD2 3.58Å; L667-F750 HydrophobicContact CD1-CE2 4.16Å; L667-F750 HydrophobicContact CD1-CG 4.2Å; L667-F750 HydrophobicContact CG-CD2 4.16Å; L667-F750 HydrophobicContact CG-CE2 4.23Å; V728-F750 HydrophobicContact CG1-CD1 4.08Å; V728-F750 HydrophobicContact CG1-CE1 4.07Å; V728-F750 HydrophobicContact CG2-CD1 4.36Å; L742-F750 HydrophobicContact CB-CD1 3.81Å; L742-F750 HydrophobicContact CB-CE1 3.79Å; L742-F750 HydrophobicContact CB-CG 4.49Å; L742-F750 HydrophobicContact CB-CZ 4.45Å; L742-F750 HydrophobicContact CD1-CB 4.28Å; L742-F750 HydrophobicContact CD1-CD1 4.24Å; L742-F750 HydrophobicContact CD1-CG 4.4Å; P747-F750 HydrophobicContact CB-CD2 3.93Å; P747-F750 HydrophobicContact CB-CE2 3.79Å; P747-F750 WeakPolarHBondContact O-CB 3.3Å; P747-F750 WeakPolarHBondContact O-CD2 3.2Å; P747-F750 WeakPolarHBondContact O-CG 3.35Å; P747-F750 PolarHBondContact O-N 3.09Å; F750-I753 PolarHBondContact O-N 3.13Å; F750-L754 WeakPolarHBondContact O-CG 3.23Å; F750-L754 PolarHBondContact O-N 3.13Å; F750-L754 VanDerWaalsContact O-N 3.08Å; F750-L906 HydrophobicContact CB-CD1 4.08Å; F750-L906 HydrophobicContact CB-CD2 4.06Å; F750-L906 HydrophobicContact CD2-CD2 4.2Å |
| 751 | W | 86.3 | Confident | 81.2 | Confident | 11 Ų | 11 | 15.7 Ų | 15.7 | 4% | 0.042 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.8 | -50.6 | -178.2 | 168.6 | -110.6 | 0 | 0 | 0 | 113.3 | L592 I753 L754 Q755 I905 L906 F909 F931 | L592-W751 PolarHBondContact O-NE1 3.36Å; W751-I753 PolarHBondContact O-N 3.3Å; W751-I753 VanDerWaalsContact O-N 3.15Å; W751-L754 PolarHBondContact O-N 3.11Å; W751-L754 VanDerWaalsContact O-N 3.09Å; W751-Q755 PolarHBondContact O-N 2.96Å; W751-I905 HydrophobicContact CD2-CB 4.39Å; W751-I905 HydrophobicContact CD2-CG2 3.54Å; W751-I905 HydrophobicContact CE3-CG2 3.77Å; W751-I905 HydrophobicContact CG-CG2 4.23Å; W751-I905 HydrophobicContact CH2-CG2 3.61Å; W751-I905 HydrophobicContact CZ2-CG2 3.39Å; W751-I905 HydrophobicContact CZ3-CG2 3.81Å; W751-L906 HydrophobicContact CB-CB 4.36Å; W751-F909 HydrophobicContact CE3-CB 4.45Å; W751-F909 HydrophobicContact CZ3-CB 3.84Å; W751-F909 HydrophobicContact CZ3-CD2 4.08Å; W751-F909 AromaticContact CZ3-CG 3.89Å; W751-F909 HydrophobicContact CZ3-CG 3.89Å; W751-F931 HydrophobicContact CH2-CZ 4.43Å |
| 752 | P | 82 | Confident | 80.1 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.7 | -34 | 178.5 | -24.6 | 31.6 | 0 | 0 | 0 | 113.5 | P591 I647 F714 T749 Q755 E756 | P591-P752 WeakPolarHBondContact O-CG 3.35Å; I647-P752 HydrophobicContact CD1-CB 3.47Å; I647-P752 VanDerWaalsContact CD1-CB 3.47Å; I647-P752 WeakPolarHBondContact CD1-O 3.44Å; F714-P752 HydrophobicContact CE1-CB 4.18Å; F714-P752 HydrophobicContact CZ-CB 4.05Å; F714-P752 HydrophobicContact CZ-CG 4.42Å; T749-P752 WeakPolarHBondContact O-CD 3.28Å; P752-Q755 PolarHBondContact O-N 2.58Å; P752-E756 PolarHBondContact O-N 3.17Å |
| 753 | I | 84 | Confident | 78.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -72.9 | -41.1 | 178.5 | -66.5 | 167.6 | 0 | 0 | 0 | 111.5 | F688 F714 V728 I730 L742 F750 W751 Q755 E756 L757 | F688-I753 HydrophobicContact CE1-CG2 3.77Å; F688-I753 HydrophobicContact CZ-CG2 3.88Å; F714-I753 HydrophobicContact CZ-CG1 4.42Å; V728-I753 HydrophobicContact CB-CD1 3.25Å; V728-I753 HydrophobicContact CG1-CD1 3.35Å; V728-I753 HydrophobicContact CG2-CD1 3.39Å; I730-I753 HydrophobicContact CD1-CD1 4.35Å; I730-I753 HydrophobicContact CD1-CG2 3.76Å; L742-I753 HydrophobicContact CD1-CG2 4.46Å; L742-I753 HydrophobicContact CD2-CG2 3.94Å; F750-I753 PolarHBondContact O-N 3.13Å; W751-I753 PolarHBondContact O-N 3.3Å; W751-I753 VanDerWaalsContact O-N 3.15Å; I753-Q755 VanDerWaalsContact C-N 3.3Å; I753-E756 PolarHBondContact O-N 3.45Å; I753-L757 PolarHBondContact O-N 3.39Å; I753-L757 VanDerWaalsContact O-N 3.12Å |
| 754 | L | 82.2 | Confident | 76.9 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.9 | -37.9 | 174.1 | -71.1 | 173.4 | 0 | 0 | 0 | 111.2 | F669 F740 L742 F750 W751 E756 L757 I758 L906 F909 | F669-L754 HydrophobicContact CE2-CD1 4.45Å; F669-L754 HydrophobicContact CE2-CD2 3.89Å; F669-L754 HydrophobicContact CZ-CD1 4.05Å; F669-L754 HydrophobicContact CZ-CD2 4.01Å; F740-L754 HydrophobicContact CZ-CD2 4.42Å; L742-L754 HydrophobicContact CD1-CD2 4.19Å; L742-L754 HydrophobicContact CD1-CG 4.21Å; F750-L754 WeakPolarHBondContact O-CG 3.23Å; F750-L754 PolarHBondContact O-N 3.13Å; F750-L754 VanDerWaalsContact O-N 3.08Å; W751-L754 PolarHBondContact O-N 3.11Å; W751-L754 VanDerWaalsContact O-N 3.09Å; L754-E756 VanDerWaalsContact C-N 3.29Å; L754-E756 PolarHBondContact O-N 3.38Å; L754-L757 PolarHBondContact O-N 2.88Å; L754-L757 VanDerWaalsContact O-N 3.16Å; L754-I758 WeakPolarHBondContact O-CD1 3.47Å; L754-I758 VanDerWaalsContact O-CG1 3.26Å; L754-I758 WeakPolarHBondContact O-CG1 3.17Å; L754-I758 PolarHBondContact O-N 3.23Å; L754-L906 HydrophobicContact CD1-CD1 3.49Å; L754-L906 VanDerWaalsContact CD1-CD1 3.49Å; L754-F909 HydrophobicContact CD1-CD1 4.14Å; L754-F909 HydrophobicContact CD1-CE1 4.21Å |
| 755 | Q | 80 | Confident | 75.1 | Confident | 15 Ų | 15 | 21.9 Ų | 21.9 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.2 | -36.8 | 175.6 | -172 | -177.6 | 11.2 | 0 | 0 | 112.7 | D593 K644 W751 P752 I753 F759 | D593-Q755 PolarHBondContact OD1-NE2 3.24Å; K644-Q755 PolarHBondContact NZ-O 2.98Å; K644-Q755 VanDerWaalsContact NZ-O 3.11Å; W751-Q755 PolarHBondContact O-N 2.96Å; P752-Q755 PolarHBondContact O-N 2.58Å; I753-Q755 VanDerWaalsContact C-N 3.3Å; Q755-F759 WeakPolarHBondContact O-CB 3.46Å; Q755-F759 PolarHBondContact O-N 2.9Å |
| 756 | E | 77.5 | Confident | 73.3 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.5 | -39.7 | 174.7 | -172.5 | 66.9 | -170.5 | 0 | 0 | 111.6 | I647 N690 F691 P752 I753 L754 F759 H760 | I647-E756 HydrophobicContact CG2-CB 4.01Å; I647-E756 VanDerWaalsContact CG2-CD 3.49Å; I647-E756 HydrophobicContact CG2-CG 3.69Å; I647-E756 WeakPolarHBondContact CG2-OE2 3.23Å; N690-E756 PolarHBondContact ND2-OE1 3.32Å; F691-E756 HydrophobicContact CE2-CB 4.46Å; F691-E756 HydrophobicContact CE2-CG 4.1Å; F691-E756 HydrophobicContact CZ-CG 4.49Å; P752-E756 PolarHBondContact O-N 3.17Å; I753-E756 PolarHBondContact O-N 3.45Å; L754-E756 VanDerWaalsContact C-N 3.29Å; L754-E756 PolarHBondContact O-N 3.38Å; E756-F759 WeakPolarHBondContact O-CB 3.12Å; E756-F759 PolarHBondContact O-N 2.85Å; E756-H760 PolarHBondContact O-CD2 3.34Å; E756-H760 VanDerWaalsContact O-CD2 3.31Å; E756-H760 PolarHBondContact O-N 2.8Å; E756-H760 VanDerWaalsContact O-N 3.1Å; E756-H760 IonicContact OE1-CD2 3.35Å; E756-H760 PolarHBondContact OE1-CD2 2.86Å; E756-H760 IonicContact OE1-NE2 3Å; E756-H760 PolarHBondContact OE1-NE2 3.47Å |
| 757 | L | 77.7 | Confident | 71.4 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -44.2 | 177.4 | -174.8 | 158.7 | 0 | 0 | 0 | 111.5 | F688 F740 I753 L754 F759 H760 N761 I778 | F688-L757 HydrophobicContact CE1-CB 3.93Å; F688-L757 HydrophobicContact CE1-CD1 4.32Å; F688-L757 HydrophobicContact CE2-CD1 4.28Å; F688-L757 HydrophobicContact CZ-CB 4.15Å; F688-L757 HydrophobicContact CZ-CD1 3.7Å; F688-L757 HydrophobicContact CZ-CG 4.39Å; F740-L757 HydrophobicContact CE1-CD1 3.98Å; F740-L757 HydrophobicContact CE2-CD1 4.15Å; F740-L757 HydrophobicContact CZ-CD1 3.63Å; I753-L757 PolarHBondContact O-N 3.39Å; I753-L757 VanDerWaalsContact O-N 3.12Å; L754-L757 PolarHBondContact O-N 2.88Å; L754-L757 VanDerWaalsContact O-N 3.16Å; L757-F759 VanDerWaalsContact C-N 3.26Å; L757-F759 PolarHBondContact O-N 3.08Å; L757-H760 PolarHBondContact O-N 3.33Å; L757-N761 VanDerWaalsContact CD2-ND2 3.29Å; L757-N761 WeakPolarHBondContact CD2-ND2 3.39Å; L757-N761 PolarHBondContact O-N 3.29Å; L757-N761 VanDerWaalsContact O-N 3.09Å; L757-I778 HydrophobicContact CD2-CD1 3.18Å; L757-I778 HydrophobicContact CD2-CG1 4.02Å |
| 758 | I | 73.3 | Confident | 69.3 | Low | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.046 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 175.3 | -64.5 | 160.8 | 0 | 0 | 0 | 110.2 | L754 N761 N762 F909 F928 F931 | L754-I758 WeakPolarHBondContact O-CD1 3.47Å; L754-I758 VanDerWaalsContact O-CG1 3.26Å; L754-I758 WeakPolarHBondContact O-CG1 3.17Å; L754-I758 PolarHBondContact O-N 3.23Å; I758-N761 PolarHBondContact O-N 3Å; I758-N762 PolarHBondContact O-N 3.09Å; I758-N762 VanDerWaalsContact O-N 3.12Å; I758-N762 PolarHBondContact O-OD1 2.7Å; I758-F909 HydrophobicContact CD1-CD2 4.13Å; I758-F909 HydrophobicContact CD1-CE1 4.47Å; I758-F909 HydrophobicContact CD1-CE2 3.37Å; I758-F909 HydrophobicContact CD1-CZ 3.58Å; I758-F909 HydrophobicContact CG1-CE2 4.23Å; I758-F909 HydrophobicContact CG1-CZ 4.11Å; I758-F928 HydrophobicContact CG1-CE1 4.48Å; I758-F928 HydrophobicContact CG2-CD1 4.06Å; I758-F928 HydrophobicContact CG2-CE1 4.34Å; I758-F931 HydrophobicContact CD1-CZ 4.25Å |
| 759 | F | 69.6 | Low | 67.2 | Low | 55 Ų | 55 | 48.2 Ų | 48.2 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | 179.1 | -171.8 | -122.1 | 0 | 0 | 0 | 113.3 | K644 Q755 E756 L757 N762 L763 | K644-F759 HydrophobicContact CB-CE2 3.87Å; K644-F759 HydrophobicContact CB-CZ 4.14Å; K644-F759 HydrophobicContact CD-CD2 3.39Å; K644-F759 HydrophobicContact CD-CE2 3.59Å; K644-F759 HydrophobicContact CD-CG 3.94Å; K644-F759 HydrophobicContact CD-CZ 4.3Å; K644-F759 VanDerWaalsContact CE-CD2 3.48Å; K644-F759 VanDerWaalsContact CE-CG 3.5Å; K644-F759 HydrophobicContact CG-CD2 4.1Å; K644-F759 HydrophobicContact CG-CE2 3.85Å; K644-F759 HydrophobicContact CG-CZ 4.1Å; Q755-F759 WeakPolarHBondContact O-CB 3.46Å; Q755-F759 PolarHBondContact O-N 2.9Å; E756-F759 WeakPolarHBondContact O-CB 3.12Å; E756-F759 PolarHBondContact O-N 2.85Å; L757-F759 VanDerWaalsContact C-N 3.26Å; L757-F759 PolarHBondContact O-N 3.08Å; F759-N762 PolarHBondContact O-N 3.47Å; F759-L763 HydrophobicContact CD1-CD1 3.7Å; F759-L763 HydrophobicContact CD2-CD1 4.4Å; F759-L763 HydrophobicContact CE1-CD1 3.37Å; F759-L763 HydrophobicContact CE2-CD1 4.13Å; F759-L763 HydrophobicContact CG-CD1 4.22Å; F759-L763 HydrophobicContact CZ-CD1 3.62Å; F759-L763 HydrophobicContact CZ-CG 4.49Å; F759-L763 PolarHBondContact O-N 3.3Å; F759-L763 VanDerWaalsContact O-N 3.07Å |
| 760 | H | 69.2 | Low | 64.9 | Low | 22 Ų | 22 | 54.5 Ų | 54.5 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | -179.8 | -80.7 | -66.8 | 0 | 0 | 0 | 112 | N690 E756 L757 N762 L763 V764 | N690-H760 PolarHBondContact ND2-CE1 3.33Å; N690-H760 VanDerWaalsContact ND2-CE1 3.35Å; N690-H760 PolarHBondContact ND2-NE2 2.79Å; E756-H760 PolarHBondContact O-CD2 3.34Å; E756-H760 VanDerWaalsContact O-CD2 3.31Å; E756-H760 PolarHBondContact O-N 2.8Å; E756-H760 VanDerWaalsContact O-N 3.1Å; E756-H760 IonicContact OE1-CD2 3.35Å; E756-H760 PolarHBondContact OE1-CD2 2.86Å; E756-H760 IonicContact OE1-NE2 3Å; E756-H760 PolarHBondContact OE1-NE2 3.47Å; L757-H760 PolarHBondContact O-N 3.33Å; H760-N762 VanDerWaalsContact C-N 3.3Å; H760-N762 PolarHBondContact O-N 3.44Å; H760-L763 PolarHBondContact O-N 3.14Å; H760-V764 VanDerWaalsContact O-CG2 3.31Å; H760-V764 WeakPolarHBondContact O-CG2 3.4Å; H760-V764 PolarHBondContact O-N 2.94Å |
| 761 | N | 65.4 | Low | 62.8 | Low | 20 Ų | 20 | 60.4 Ų | 60.4 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 175.4 | -77.9 | -20.3 | 0 | 0 | 0 | 111.9 | L757 I758 L763 V764 G765 L776 F928 | L757-N761 VanDerWaalsContact CD2-ND2 3.29Å; L757-N761 WeakPolarHBondContact CD2-ND2 3.39Å; L757-N761 PolarHBondContact O-N 3.29Å; L757-N761 VanDerWaalsContact O-N 3.09Å; I758-N761 PolarHBondContact O-N 3Å; N761-L763 PolarHBondContact O-N 3.08Å; N761-V764 PolarHBondContact O-N 3.14Å; N761-G765 PolarHBondContact O-N 3.41Å; N761-L776 WeakPolarHBondContact OD1-CD1 3.46Å; N761-F928 HydrophobicContact CB-CE2 4.15Å |
| 762 | N | 61.9 | Low | 60.5 | Low | 52 Ų | 52 | 65.3 Ų | 65.3 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.9 | -37 | 176.9 | -65.8 | 4.1 | 0 | 0 | 0 | 112.1 | I758 F759 H760 K766 F928 | I758-N762 PolarHBondContact O-N 3.09Å; I758-N762 VanDerWaalsContact O-N 3.12Å; I758-N762 PolarHBondContact O-OD1 2.7Å; F759-N762 PolarHBondContact O-N 3.47Å; H760-N762 VanDerWaalsContact C-N 3.3Å; H760-N762 PolarHBondContact O-N 3.44Å; N762-K766 PolarHBondContact O-N 3.19Å; N762-F928 WeakPolarHBondContact OD1-CB 3.42Å; N762-F928 WeakPolarHBondContact OD1-CG 3.43Å |
| 763 | L | 55.9 | Low | 58.6 | Low | 54 Ų | 54 | 67.1 Ų | 67.1 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 176.6 | -84.2 | 162.5 | 0 | 0 | 0 | 112.8 | F759 H760 N761 K766 R767 | F759-L763 HydrophobicContact CD1-CD1 3.7Å; F759-L763 HydrophobicContact CD2-CD1 4.4Å; F759-L763 HydrophobicContact CE1-CD1 3.37Å; F759-L763 HydrophobicContact CE2-CD1 4.13Å; F759-L763 HydrophobicContact CG-CD1 4.22Å; F759-L763 HydrophobicContact CZ-CD1 3.62Å; F759-L763 HydrophobicContact CZ-CG 4.49Å; F759-L763 PolarHBondContact O-N 3.3Å; F759-L763 VanDerWaalsContact O-N 3.07Å; H760-L763 PolarHBondContact O-N 3.14Å; N761-L763 PolarHBondContact O-N 3.08Å; L763-K766 PolarHBondContact O-N 3.22Å; L763-R767 WeakPolarHBondContact O-CG 3.42Å; L763-R767 PolarHBondContact O-N 2.95Å |
| 764 | V | 52.2 | Low | 56.8 | Low | 71 Ų | 71 | 71 Ų | 71 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.1 | -35.8 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | H760 N761 K766 R767 | H760-V764 VanDerWaalsContact O-CG2 3.31Å; H760-V764 WeakPolarHBondContact O-CG2 3.4Å; H760-V764 PolarHBondContact O-N 2.94Å; N761-V764 PolarHBondContact O-N 3.14Å; V764-K766 VanDerWaalsContact C-N 3.34Å; V764-K766 PolarHBondContact O-N 2.82Å; V764-R767 PolarHBondContact O-N 3.29Å |
| 765 | G | 49.9 | Very low | 55.4 | Low | 39 Ų | 39 | 72.1 Ų | 72.1 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N761 | N761-G765 PolarHBondContact O-N 3.41Å |
| 766 | K | 45.8 | Very low | 54.5 | Low | 180 Ų | 180 | 72.9 Ų | 72.9 | 78% | 0.783 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -75.3 | -21.1 | 179.4 | -73.3 | -179.5 | 179.4 | 178.9 | 0 | 114.8 | N762 L763 V764 | N762-K766 PolarHBondContact O-N 3.19Å; L763-K766 PolarHBondContact O-N 3.22Å; V764-K766 VanDerWaalsContact C-N 3.34Å; V764-K766 PolarHBondContact O-N 2.82Å |
| 767 | R | 44.5 | Very low | 53.9 | Low | 200 Ų | 200 | 74.5 Ų | 74.5 | 76% | 0.755 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -87.3 | -12.8 | -175.7 | -72.9 | -177.6 | -171.7 | 176.1 | 4.3 | 114.7 | L763 V764 | L763-R767 WeakPolarHBondContact O-CG 3.42Å; L763-R767 PolarHBondContact O-N 2.95Å; V764-R767 PolarHBondContact O-N 3.29Å |
| 768 | K | 41.7 | Very low | 53.5 | Low | 144 Ų | 144 | 75 Ų | 75 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | trans | -106.1 | 94.4 | 179.1 | -72.8 | -179 | 178.3 | 175 | 0 | 109.8 | N770 | K768-N770 PolarHBondContact O-N 3.33Å; K768-N770 VanDerWaalsContact O-N 3.07Å | ||
| 769 | T | 40 | Very low | 53.4 | Low | 137 Ų | 137 | 75.5 Ų | 75.5 | 84% | 0.84 | 40% | 0.398 | S | S | * | . | trans | -71 | 12.3 | 175.6 | 49 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 770 | N | 36.1 | Very low | 53.6 | Low | 131 Ų | 131 | 73 Ų | 73 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -104.9 | 130.2 | 175.3 | -72.1 | -5.1 | 0 | 0 | 0 | 108.9 | K768 D772 | K768-N770 PolarHBondContact O-N 3.33Å; K768-N770 VanDerWaalsContact O-N 3.07Å; N770-D772 PolarHBondContact O-N 3.11Å |
| 771 | S | 43 | Very low | 53.5 | Low | 124 Ų | 124 | 73.4 Ų | 73.4 | 87% | 0.867 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -53.7 | 9.6 | -168.7 | 49.7 | 0 | 0 | 0 | 0 | 118.8 | ||
| 772 | D | 39.1 | Very low | 53.5 | Low | 115 Ų | 115 | 73 Ų | 73 | 62% | 0.615 | 39% | 0.386 | S | S | * | . | trans | -118.3 | 50.4 | 177.6 | -67.5 | -31.3 | 0 | 0 | 0 | 111.1 | N770 N774 | N770-D772 PolarHBondContact O-N 3.11Å; D772-N774 PolarHBondContact O-N 3.27Å | ||
| 773 | A | 41.1 | Very low | 53 | Low | 37 Ų | 37 | 78.9 Ų | 78.9 | 31% | 0.306 | 41% | 0.41 | S | S | . | . | trans | -65.9 | 99.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | N775 | A773-N775 VanDerWaalsContact C-N 3.27Å; A773-N775 PolarHBondContact O-N 2.89Å; A773-N775 PolarHBondContact O-OD1 3.45Å | ||
| 774 | N | 46.7 | Very low | 52.5 | Low | 82 Ų | 82 | 81.4 Ų | 81.4 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | trans | -61 | 85.4 | 171.8 | -78.2 | -21.5 | 0 | 0 | 0 | 110 | T673 F675 D772 L776 | T673-N774 HydrophobicContact CG2-CB 4.22Å; F675-N774 VanDerWaalsContact CD2-OD1 3.28Å; F675-N774 WeakPolarHBondContact CD2-OD1 3.43Å; D772-N774 PolarHBondContact O-N 3.27Å; N774-L776 PolarHBondContact O-N 3.22Å; N774-L776 VanDerWaalsContact O-N 3.11Å | ||
| 775 | N | 53.5 | Low | 52 | Low | 24 Ų | 24 | 80.5 Ų | 80.5 | 13% | 0.128 | 42% | 0.423 | C | S | . | . | trans | -57.3 | 118.4 | 169.8 | -68.9 | 5.9 | 0 | 0 | 0 | 108 | A773 Y777 F926 | A773-N775 VanDerWaalsContact C-N 3.27Å; A773-N775 PolarHBondContact O-N 2.89Å; A773-N775 PolarHBondContact O-OD1 3.45Å; N775-Y777 HydrophobicContact CB-CE2 4.16Å; N775-Y777 WeakPolarHBondContact O-CD2 3.33Å; N775-Y777 WeakPolarHBondContact O-CE2 3.29Å; N775-F926 PolarHBondContact ND2-O 3.28Å | ||
| 776 | L | 60.2 | Low | 51.2 | Low | 31 Ų | 31 | 87.1 Ų | 87.1 | 16% | 0.162 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 111.2 | 174.8 | -75.9 | 162.8 | 0 | 0 | 0 | 108.1 | L671 T673 L679 N761 N774 F928 | L671-L776 HydrophobicContact CD2-CB 4.02Å; L671-L776 HydrophobicContact CD2-CD2 4.09Å; T673-L776 HydrophobicContact CG2-CD2 3.61Å; T673-L776 HydrophobicContact CG2-CG 4.4Å; L679-L776 HydrophobicContact CD2-CD2 4.23Å; N761-L776 WeakPolarHBondContact OD1-CD1 3.46Å; N774-L776 PolarHBondContact O-N 3.22Å; N774-L776 VanDerWaalsContact O-N 3.11Å; L776-F928 WeakPolarHBondContact O-CE2 3.47Å |
| 777 | Y | 64 | Low | 50.8 | Low | 37 Ų | 37 | 87.4 Ų | 87.4 | 15% | 0.145 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135 | 173.6 | -60.1 | -78.5 | 0 | 0 | 0 | 110.1 | L671 I672 K674 N775 P923 F926 | L671-Y777 CarbonylContact C-O 3.49Å; L671-Y777 VanDerWaalsContact CA-O 3.29Å; L671-Y777 WeakPolarHBondContact CA-O 3.27Å; I672-Y777 PolarHBondContact N-O 3.26Å; I672-Y777 WeakPolarHBondContact O-CD2 3.47Å; I672-Y777 PolarHBondContact O-N 2.86Å; K674-Y777 WeakPolarHBondContact CE-OH 3.28Å; K674-Y777 HydrophobicContact CG-CE2 3.71Å; N775-Y777 HydrophobicContact CB-CE2 4.16Å; N775-Y777 WeakPolarHBondContact O-CD2 3.33Å; N775-Y777 WeakPolarHBondContact O-CE2 3.29Å; Y777-P923 HydrophobicContact CE2-CB 3.89Å; Y777-P923 HydrophobicContact CE2-CG 4.22Å; Y777-F926 HydrophobicContact CE1-CB 4.06Å |
| 778 | I | 70.7 | Confident | 50.3 | Low | 11 Ų | 11 | 85 Ų | 85 | 6% | 0.056 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.8 | 176.3 | -52.5 | 162.5 | 0 | 0 | 0 | 106.9 | F669 L671 F740 L757 | F669-I778 HydrophobicContact CB-CG2 3.77Å; F669-I778 HydrophobicContact CD1-CG2 3.4Å; F669-I778 HydrophobicContact CE1-CG2 4.12Å; F669-I778 HydrophobicContact CG-CG2 3.73Å; L671-I778 HydrophobicContact CD2-CG1 4.19Å; F740-I778 HydrophobicContact CE1-CG2 4.21Å; F740-I778 HydrophobicContact CZ-CG2 4.22Å; L757-I778 HydrophobicContact CD2-CD1 3.18Å; L757-I778 HydrophobicContact CD2-CG1 4.02Å |
| 779 | I | 71.7 | Confident | 50.1 | Low | 19 Ų | 19 | 86.3 Ų | 86.3 | 10% | 0.097 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135 | 180 | -70.9 | 156.4 | 0 | 0 | 0 | 109 | F669 Q670 I672 Y781 C914 Q916 | F669-I779 CarbonylContact C-O 3.46Å; F669-I779 WeakPolarHBondContact CA-O 3.5Å; Q670-I779 PolarHBondContact N-O 3.01Å; Q670-I779 PolarHBondContact O-N 3.29Å; I672-I779 HydrophobicContact CB-CD1 4.22Å; I672-I779 HydrophobicContact CD1-CD1 3.28Å; I672-I779 HydrophobicContact CG1-CD1 3.78Å; I779-Y781 PolarHBondContact O-N 3.48Å; I779-C914 WeakPolarHBondContact CA-O 3.32Å; I779-Q916 HydrophobicContact CD1-CG 4Å; I779-Q916 HydrophobicContact CG1-CG 4.37Å |
| 780 | L | 72.8 | Confident | 50 | Low | 2 Ų | 2 | 87.1 Ų | 87.1 | 1% | 0.01 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 124.3 | 176.1 | -167 | 68.6 | 0 | 0 | 0 | 109.3 | L667 F669 Y807 L811 I910 C914 | L667-L780 HydrophobicContact CD2-CD1 3.9Å; F669-L780 HydrophobicContact CD1-CD1 4.14Å; F669-L780 HydrophobicContact CE1-CD1 3.92Å; F669-L780 HydrophobicContact CZ-CD1 4.42Å; L780-Y807 HydrophobicContact CB-CD1 4.18Å; L780-Y807 HydrophobicContact CB-CE1 4.2Å; L780-Y807 HydrophobicContact CD2-CD1 3.89Å; L780-Y807 HydrophobicContact CG-CD1 4.26Å; L780-Y807 WeakPolarHBondContact O-CE1 3.39Å; L780-L811 HydrophobicContact CD2-CD2 4.47Å; L780-L811 HydrophobicContact CD2-CG 4.28Å; L780-I910 HydrophobicContact CD2-CG2 3.94Å; L780-C914 HydrophobicContact CB-CB 4.27Å; L780-C914 PolarHBondContact N-O 2.9Å |
| 781 | Y | 67.9 | Low | 49.8 | Very low | 31 Ų | 31 | 87.9 Ų | 87.9 | 12% | 0.122 | 45% | 0.447 | C | S | . | . | trans | -79.9 | 132.9 | -174.4 | 178 | -96 | 0 | 0 | 0 | 111.7 | V668 Q670 K739 I779 K783 Q810 | V668-Y781 HydrophobicContact CG1-CD1 4.2Å; V668-Y781 HydrophobicContact CG1-CG 4.23Å; V668-Y781 WeakPolarHBondContact O-CB 3.33Å; V668-Y781 PolarHBondContact O-N 3.16Å; Q670-Y781 HydrophobicContact CB-CD2 4.35Å; K739-Y781 HydrophobicContact CD-CD2 4.21Å; K739-Y781 HydrophobicContact CD-CE2 4.36Å; K739-Y781 HydrophobicContact CD-CG 4.34Å; K739-Y781 VanDerWaalsContact CE-CD2 3.44Å; K739-Y781 VanDerWaalsContact NZ-CE1 3.34Å; K739-Y781 PolarHBondContact NZ-OH 3.44Å; I779-Y781 PolarHBondContact O-N 3.48Å; Y781-K783 HydrophobicContact CE1-CG 4.14Å; Y781-Q810 PolarHBondContact O-NE2 3.14Å | ||
| 782 | T | 63.8 | Low | 49.5 | Very low | 11 Ų | 11 | 85 Ų | 85 | 7% | 0.067 | 44% | 0.437 | C | S | . | . | trans | -117.7 | 145.7 | 170.8 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | D784 N806 Y807 | T782-D784 PolarHBondContact O-N 2.93Å; T782-N806 WeakPolarHBondContact CB-O 3.32Å; T782-N806 HydrophobicContact CG2-CB 4.11Å; T782-N806 WeakPolarHBondContact CG2-O 3.46Å; T782-Y807 HydrophobicContact CG2-CD1 3.24Å; T782-Y807 HydrophobicContact CG2-CD2 4.46Å; T782-Y807 HydrophobicContact CG2-CE1 3.31Å; T782-Y807 HydrophobicContact CG2-CE2 4.49Å; T782-Y807 HydrophobicContact CG2-CG 3.88Å | ||
| 783 | K | 53 | Low | 49.2 | Very low | 177 Ų | 177 | 86 Ų | 86 | 77% | 0.77 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.5 | 179.4 | -82.5 | 179.6 | 178.5 | 173.4 | 0 | 112.5 | Y781 | Y781-K783 HydrophobicContact CE1-CG 4.14Š|
| 784 | D | 44.5 | Very low | 48.7 | Very low | 106 Ų | 106 | 90.4 Ų | 90.4 | 57% | 0.567 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 4.8 | -168.6 | -62.5 | -51.1 | 0 | 0 | 0 | 116 | T782 R786 | T782-D784 PolarHBondContact O-N 2.93Å; D784-R786 PolarHBondContact O-N 3.48Å |
| 785 | A | 42.1 | Very low | 48.4 | Very low | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 2.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 786 | R | 34.1 | Very low | 47.3 | Very low | 179 Ų | 179 | 96.4 Ų | 96.4 | 68% | 0.675 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -1.4 | -174.9 | -71.9 | -171.8 | -173.1 | -170.4 | -0.4 | 115.5 | D784 | D784-R786 PolarHBondContact O-N 3.48Š|
| 787 | K | 35.5 | Very low | 45.8 | Very low | 185 Ų | 185 | 105.3 Ų | 105.3 | 80% | 0.804 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -101.8 | -1.6 | 178.6 | -77.9 | -175.4 | 175.5 | 179.8 | 0 | 115.5 | ||
| 788 | F | 36 | Very low | 44.3 | Very low | 149 Ų | 149 | 107.8 Ų | 107.8 | 65% | 0.654 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -102.5 | 4.4 | -171.1 | -79.9 | -77.9 | 0 | 0 | 0 | 115.4 | ||
| 789 | M | 37.2 | Very low | 42.3 | Very low | 172 Ų | 172 | 114.6 Ų | 114.6 | 85% | 0.847 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -114.4 | 1.7 | -173.6 | -63.9 | -141.6 | 109.4 | 0 | 0 | 115.6 | ||
| 790 | D | 36.2 | Very low | 40.4 | Very low | 154 Ų | 154 | 117.6 Ų | 117.6 | 82% | 0.824 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -108.9 | -5.2 | -179.2 | -75.7 | -23.3 | 0 | 0 | 0 | 114.7 | ||
| 791 | D | 32.7 | Very low | 38.9 | Very low | 148 Ų | 148 | 122.6 Ų | 122.6 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -108.4 | 134.2 | 179.7 | -74.1 | -36.9 | 0 | 0 | 0 | 112.3 | ||
| 792 | G | 36.4 | Very low | 37.4 | Very low | 64 Ų | 64 | 124.3 Ų | 124.3 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | trans | -62 | -175.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | V794 | G792-V794 VanDerWaalsContact C-N 3.35Å; G792-V794 PolarHBondContact O-N 2.76Å | ||
| 793 | P | 33.1 | Very low | 36.3 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -88 | 58.3 | -152.5 | 37.3 | -37.3 | 0 | 0 | 0 | 113 | ||
| 794 | V | 30.5 | Very low | 36 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 79% | 0.788 | 69% | 0.687 | S | S | * | * | trans | -156.2 | 115.8 | 164.3 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | G792 | G792-V794 VanDerWaalsContact C-N 3.35Å; G792-V794 PolarHBondContact O-N 2.76Å | ||
| 795 | P | 40.5 | Very low | 35.8 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | trans | -113.1 | 146 | 158.5 | 30.8 | -17.5 | 0 | 0 | 0 | 112 | ||||
| 796 | P | 30.4 | Very low | 36.3 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 68% | 0.676 | S | S | * | * | trans | -79.8 | 156.2 | -167.5 | 33.2 | -32.9 | 0 | 0 | 0 | 112.9 | S798 | P796-S798 PolarHBondContact O-N 3.49Š| ||
| 797 | K | 29 | Very low | 37.5 | Very low | 218 Ų | 218 | 116.8 Ų | 116.8 | 95% | 0.948 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -69.6 | 81.4 | 177.4 | -67.6 | 174.6 | 177.4 | 175.9 | 0 | 111.3 | ||
| 798 | S | 32.4 | Very low | 38.5 | Very low | 88 Ų | 88 | 110.4 Ų | 110.4 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | trans | -168.3 | 106.5 | 158.9 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | P796 S800 | P796-S798 PolarHBondContact O-N 3.49Å; S798-S800 PolarHBondContact O-N 2.96Å; S798-S800 VanDerWaalsContact O-N 3.12Å | ||
| 799 | L | 28.4 | Very low | 40 | Very low | 155 Ų | 155 | 107.1 Ų | 107.1 | 81% | 0.812 | 62% | 0.622 | S | S | * | * | trans | -74.7 | 92.9 | 173.9 | -117.9 | 79.4 | 0 | 0 | 0 | 108.7 | ||||
| 800 | S | 32.5 | Very low | 41.6 | Very low | 81 Ų | 81 | 100.2 Ų | 100.2 | 57% | 0.566 | 59% | 0.587 | S | S | * | * | trans | -96.5 | 147.5 | 171.8 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | S798 S802 | S798-S800 PolarHBondContact O-N 2.96Å; S798-S800 VanDerWaalsContact O-N 3.12Å; S800-S802 PolarHBondContact O-N 3.24Å | ||
| 801 | S | 40.2 | Very low | 43.4 | Very low | 107 Ų | 107 | 93.1 Ų | 93.1 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -33.6 | -9.4 | -177.3 | 52.5 | 0 | 0 | 0 | 0 | 121.3 | K803 | S801-K803 VanDerWaalsContact C-N 3.32Å; S801-K803 PolarHBondContact O-N 3.43Å |
| 802 | S | 37.5 | Very low | 45.2 | Very low | 67 Ų | 67 | 91.3 Ų | 91.3 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3 | -165.4 | 58.3 | 0 | 0 | 0 | 0 | 116.7 | S800 | S800-S802 PolarHBondContact O-N 3.24Š|
| 803 | K | 40.1 | Very low | 47.3 | Very low | 104 Ų | 104 | 91 Ų | 91 | 45% | 0.452 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -24.2 | -178.9 | -72.9 | -177.7 | 178.2 | 176.1 | 0 | 114.1 | S801 S918 | S801-K803 VanDerWaalsContact C-N 3.32Å; S801-K803 PolarHBondContact O-N 3.43Å; K803-S918 PolarHBondContact NZ-OG 2.89Å |
| 804 | F | 46.2 | Very low | 49.5 | Very low | 90 Ų | 90 | 84.7 Ų | 84.7 | 40% | 0.395 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -74 | -32 | 176.2 | -122.1 | -91.2 | 0 | 0 | 0 | 111.4 | N806 Y807 T808 L811 I915 I1028 | F804-N806 PolarHBondContact O-N 2.93Å; F804-Y807 PolarHBondContact O-N 3.03Å; F804-T808 PolarHBondContact O-N 2.93Å; F804-L811 HydrophobicContact CE1-CD1 4.41Å; F804-I915 HydrophobicContact CZ-CD1 4.4Å; F804-I1028 HydrophobicContact CE2-CD1 3.79Å; F804-I1028 HydrophobicContact CZ-CD1 3.74Å |
| 805 | D | 41.8 | Very low | 51.5 | Low | 98 Ų | 98 | 81.4 Ų | 81.4 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -53.7 | -21.5 | 178.1 | -65.3 | -20.5 | 0 | 0 | 0 | 114.5 | T808 | D805-T808 PolarHBondContact O-OG1 3.27Š|
| 806 | N | 52.6 | Low | 53.4 | Low | 46 Ų | 46 | 80.1 Ų | 80.1 | 25% | 0.246 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -81.1 | -23 | 179.3 | -66.1 | -39.4 | 0 | 0 | 0 | 113.2 | T782 F804 | T782-N806 WeakPolarHBondContact CB-O 3.32Å; T782-N806 HydrophobicContact CG2-CB 4.11Å; T782-N806 WeakPolarHBondContact CG2-O 3.46Å; F804-N806 PolarHBondContact O-N 2.93Å |
| 807 | Y | 58.9 | Low | 55.9 | Low | 30 Ų | 30 | 76.6 Ų | 76.6 | 12% | 0.118 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -14.1 | -179.6 | -58.3 | -80.1 | 0 | 0 | 0 | 112.5 | L780 T782 F804 S809 Q810 L811 I915 | L780-Y807 HydrophobicContact CB-CD1 4.18Å; L780-Y807 HydrophobicContact CB-CE1 4.2Å; L780-Y807 HydrophobicContact CD2-CD1 3.89Å; L780-Y807 HydrophobicContact CG-CD1 4.26Å; L780-Y807 WeakPolarHBondContact O-CE1 3.39Å; T782-Y807 HydrophobicContact CG2-CD1 3.24Å; T782-Y807 HydrophobicContact CG2-CD2 4.46Å; T782-Y807 HydrophobicContact CG2-CE1 3.31Å; T782-Y807 HydrophobicContact CG2-CE2 4.49Å; T782-Y807 HydrophobicContact CG2-CG 3.88Å; F804-Y807 PolarHBondContact O-N 3.03Å; Y807-S809 PolarHBondContact O-N 2.92Å; Y807-Q810 PolarHBondContact O-N 3.38Å; Y807-L811 PolarHBondContact O-N 3.44Å; Y807-I915 HydrophobicContact CD2-CG2 4.32Å; Y807-I915 HydrophobicContact CE2-CG2 3.89Å |
| 808 | T | 57 | Low | 58.2 | Low | 50 Ų | 50 | 66.5 Ų | 66.5 | 31% | 0.307 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -47.1 | -52.8 | -174.4 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | F804 D805 Q810 L811 E812 | F804-T808 PolarHBondContact O-N 2.93Å; D805-T808 PolarHBondContact O-OG1 3.27Å; T808-Q810 VanDerWaalsContact C-N 3.3Å; T808-Q810 PolarHBondContact O-N 2.82Å; T808-Q810 VanDerWaalsContact O-N 3.1Å; T808-L811 PolarHBondContact O-N 2.85Å; T808-L811 VanDerWaalsContact O-N 3.16Å; T808-E812 WeakPolarHBondContact O-CA 3.08Å; T808-E812 WeakPolarHBondContact O-CB 3.17Å; T808-E812 PolarHBondContact O-N 2.82Å |
| 809 | S | 66.6 | Low | 60.2 | Low | 80 Ų | 80 | 66.2 Ų | 66.2 | 56% | 0.559 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.1 | -35 | -174.3 | 60.9 | 0 | 0 | 0 | 0 | 115.6 | Y807 T813 | Y807-S809 PolarHBondContact O-N 2.92Å; S809-T813 WeakPolarHBondContact O-CG2 3.31Å |
| 810 | Q | 71.5 | Confident | 62.7 | Low | 28 Ų | 28 | 64 Ų | 64 | 13% | 0.131 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -82 | -42.7 | 177.4 | -79.3 | 175.2 | 70.9 | 0 | 0 | 111.3 | Y781 Y807 T808 T813 | Y781-Q810 PolarHBondContact O-NE2 3.14Å; Y807-Q810 PolarHBondContact O-N 3.38Å; T808-Q810 VanDerWaalsContact C-N 3.3Å; T808-Q810 PolarHBondContact O-N 2.82Å; T808-Q810 VanDerWaalsContact O-N 3.1Å; Q810-T813 PolarHBondContact O-OG1 3.12Å |
| 811 | L | 72.8 | Confident | 65 | Low | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.8 | -39.9 | -177.9 | -72.2 | 174 | 0 | 0 | 0 | 112.8 | L780 F804 Y807 T808 T813 L814 F815 L907 I910 I915 | L780-L811 HydrophobicContact CD2-CD2 4.47Å; L780-L811 HydrophobicContact CD2-CG 4.28Å; F804-L811 HydrophobicContact CE1-CD1 4.41Å; Y807-L811 PolarHBondContact O-N 3.44Å; T808-L811 PolarHBondContact O-N 2.85Å; T808-L811 VanDerWaalsContact O-N 3.16Å; L811-T813 VanDerWaalsContact C-N 3.31Å; L811-T813 PolarHBondContact O-N 2.91Å; L811-L814 CarbonylContact O-C 3.56Å; L811-L814 WeakPolarHBondContact O-CA 3.49Å; L811-L814 WeakPolarHBondContact O-CB 3.25Å; L811-L814 PolarHBondContact O-N 3.14Å; L811-F815 HydrophobicContact CB-CD2 4.16Å; L811-F815 HydrophobicContact CB-CE2 4.11Å; L811-F815 WeakPolarHBondContact O-CD2 3.36Å; L811-F815 PolarHBondContact O-N 2.8Å; L811-L907 HydrophobicContact CD2-CD2 4.08Å; L811-I910 HydrophobicContact CD2-CG2 3.77Å; L811-I915 HydrophobicContact CD1-CD1 4.06Å |
| 812 | E | 72 | Confident | 66.6 | Low | 110 Ų | 110 | 56.4 Ų | 56.4 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 179 | -174.2 | -179.6 | 178.1 | 0 | 0 | 111.2 | T808 L814 F815 N816 | T808-E812 WeakPolarHBondContact O-CA 3.08Å; T808-E812 WeakPolarHBondContact O-CB 3.17Å; T808-E812 PolarHBondContact O-N 2.82Å; E812-L814 VanDerWaalsContact C-N 3.31Å; E812-L814 PolarHBondContact O-N 2.87Å; E812-F815 PolarHBondContact O-N 2.93Å; E812-N816 VanDerWaalsContact O-CB 3.32Å; E812-N816 WeakPolarHBondContact O-CB 3.46Å; E812-N816 PolarHBondContact O-N 2.71Å; E812-N816 PolarHBondContact O-ND2 2.81Å |
| 813 | T | 79.2 | Confident | 68.5 | Low | 59 Ų | 59 | 57.2 Ų | 57.2 | 36% | 0.362 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 174.8 | 63 | 0 | 0 | 0 | 0 | 112.8 | F665 S809 Q810 L811 K817 | F665-T813 WeakPolarHBondContact CE1-O 3.22Å; S809-T813 WeakPolarHBondContact O-CG2 3.31Å; Q810-T813 PolarHBondContact O-OG1 3.12Å; L811-T813 VanDerWaalsContact C-N 3.31Å; L811-T813 PolarHBondContact O-N 2.91Å; T813-K817 PolarHBondContact O-N 2.79Å; T813-K817 VanDerWaalsContact O-N 3.1Å |
| 814 | L | 79 | Confident | 70.5 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75 | -39.4 | 176.9 | -69.6 | 177.8 | 0 | 0 | 0 | 112 | F665 L667 P747 L811 E812 K817 L818 L906 L907 I910 | F665-L814 HydrophobicContact CD1-CD2 4.46Å; L667-L814 HydrophobicContact CD1-CD1 4.17Å; L667-L814 HydrophobicContact CD2-CD1 3.77Å; L667-L814 HydrophobicContact CG-CD1 4.21Å; P747-L814 HydrophobicContact CB-CD2 3.47Å; P747-L814 VanDerWaalsContact CB-CD2 3.47Å; P747-L814 HydrophobicContact CG-CD2 4.18Å; L811-L814 CarbonylContact O-C 3.56Å; L811-L814 WeakPolarHBondContact O-CA 3.49Å; L811-L814 WeakPolarHBondContact O-CB 3.25Å; L811-L814 PolarHBondContact O-N 3.14Å; E812-L814 VanDerWaalsContact C-N 3.31Å; E812-L814 PolarHBondContact O-N 2.87Å; L814-K817 PolarHBondContact O-N 2.83Å; L814-L818 WeakPolarHBondContact O-CB 3.38Å; L814-L818 PolarHBondContact O-N 3.35Å; L814-L906 HydrophobicContact CD1-CD2 4.35Å; L814-L906 HydrophobicContact CD2-CD2 4.48Å; L814-L907 HydrophobicContact CB-CD2 3.95Å; L814-L907 HydrophobicContact CD1-CD2 4.38Å; L814-I910 HydrophobicContact CD1-CD1 4.1Å |
| 815 | F | 73.7 | Confident | 72.2 | Confident | 60 Ų | 60 | 52 Ų | 52 | 26% | 0.263 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 172.9 | -80.1 | -65.2 | 0 | 0 | 0 | 110.9 | L811 E812 K817 L818 Y819 L907 | L811-F815 HydrophobicContact CB-CD2 4.16Å; L811-F815 HydrophobicContact CB-CE2 4.11Å; L811-F815 WeakPolarHBondContact O-CD2 3.36Å; L811-F815 PolarHBondContact O-N 2.8Å; E812-F815 PolarHBondContact O-N 2.93Å; F815-K817 VanDerWaalsContact C-N 3.27Å; F815-K817 PolarHBondContact O-N 3.49Å; F815-L818 HydrophobicContact CD1-CD2 4.39Å; F815-L818 CarbonylContact O-C 3.53Å; F815-L818 WeakPolarHBondContact O-CA 3.25Å; F815-L818 WeakPolarHBondContact O-CB 3.32Å; F815-L818 PolarHBondContact O-N 3.17Å; F815-L818 VanDerWaalsContact O-N 3.09Å; F815-Y819 HydrophobicContact CB-CE2 4.36Å; F815-Y819 WeakPolarHBondContact O-CD2 3.44Å; F815-Y819 PolarHBondContact O-N 2.91Å; F815-L907 HydrophobicContact CD1-CD1 3.97Å; F815-L907 HydrophobicContact CD2-CD2 4.43Å; F815-L907 HydrophobicContact CE1-CD1 3.95Å; F815-L907 HydrophobicContact CE1-CD2 4.26Å; F815-L907 HydrophobicContact CE2-CD2 4.16Å; F815-L907 HydrophobicContact CZ-CD2 4.06Å |
| 816 | N | 79.3 | Confident | 73.7 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 174.7 | -70.6 | -16.2 | 0 | 0 | 0 | 111.7 | E812 Y819 E820 | E812-N816 VanDerWaalsContact O-CB 3.32Å; E812-N816 WeakPolarHBondContact O-CB 3.46Å; E812-N816 PolarHBondContact O-N 2.71Å; E812-N816 PolarHBondContact O-ND2 2.81Å; N816-Y819 PolarHBondContact O-N 3.43Å; N816-E820 PolarHBondContact O-N 2.84Å |
| 817 | K | 83.1 | Confident | 75.1 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.1 | -34.7 | 174.9 | -172.2 | 55.9 | 178.6 | -179.2 | 0 | 113 | F665 P747 T813 L814 F815 E820 S821 L903 | F665-K817 HydrophobicContact CE1-CB 3.8Å; F665-K817 HydrophobicContact CE1-CG 4.24Å; F665-K817 HydrophobicContact CE2-CD 4.45Å; F665-K817 HydrophobicContact CE2-CG 4.45Å; F665-K817 HydrophobicContact CZ-CB 3.85Å; F665-K817 HydrophobicContact CZ-CD 3.9Å; F665-K817 HydrophobicContact CZ-CG 3.85Å; P747-K817 HydrophobicContact CG-CB 4.27Å; P747-K817 HydrophobicContact CG-CG 3.63Å; T813-K817 PolarHBondContact O-N 2.79Å; T813-K817 VanDerWaalsContact O-N 3.1Å; L814-K817 PolarHBondContact O-N 2.83Å; F815-K817 VanDerWaalsContact C-N 3.27Å; F815-K817 PolarHBondContact O-N 3.49Å; K817-E820 HydrophobicContact CD-CB 4.43Å; K817-E820 WeakPolarHBondContact CD-OE2 3.43Å; K817-E820 IonicContact NZ-OE1 3.5Å; K817-E820 PolarHBondContact NZ-OE1 3.41Å; K817-E820 IonicContact NZ-OE2 2.89Å; K817-E820 PolarHBondContact NZ-OE2 2.81Å; K817-E820 PolarHBondContact O-N 3.39Å; K817-S821 WeakPolarHBondContact O-CB 3.47Å; K817-S821 PolarHBondContact O-N 3.03Å; K817-S821 PolarHBondContact O-OG 3.38Å; K817-L903 HydrophobicContact CG-CD1 4.23Å |
| 818 | L | 77.7 | Confident | 76.1 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 171.9 | 179.6 | 74.5 | 0 | 0 | 0 | 109.8 | L814 F815 E820 S821 L822 L903 V904 L907 | L814-L818 WeakPolarHBondContact O-CB 3.38Å; L814-L818 PolarHBondContact O-N 3.35Å; F815-L818 HydrophobicContact CD1-CD2 4.39Å; F815-L818 CarbonylContact O-C 3.53Å; F815-L818 WeakPolarHBondContact O-CA 3.25Å; F815-L818 WeakPolarHBondContact O-CB 3.32Å; F815-L818 PolarHBondContact O-N 3.17Å; F815-L818 VanDerWaalsContact O-N 3.09Å; L818-E820 PolarHBondContact O-N 3.47Å; L818-S821 PolarHBondContact O-N 2.97Å; L818-L822 HydrophobicContact CD1-CD1 4.37Å; L818-L822 HydrophobicContact CD1-CG 4.42Å; L818-L822 HydrophobicContact CD2-CD1 4.21Å; L818-L822 HydrophobicContact CG-CD1 3.77Å; L818-L822 HydrophobicContact CG-CG 4.26Å; L818-L822 WeakPolarHBondContact O-CB 3.42Å; L818-L822 WeakPolarHBondContact O-CG 3.31Å; L818-L822 PolarHBondContact O-N 2.92Å; L818-L903 HydrophobicContact CB-CD1 4.47Å; L818-L903 HydrophobicContact CD1-CB 3.67Å; L818-L903 HydrophobicContact CD1-CD1 4.4Å; L818-V904 HydrophobicContact CD1-CG2 3.92Å; L818-L907 HydrophobicContact CB-CD1 4.15Å; L818-L907 HydrophobicContact CD2-CD1 3.76Å; L818-L907 HydrophobicContact CG-CD1 4.38Å |
| 819 | Y | 74.2 | Confident | 77.1 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 175.3 | -75.2 | -65.5 | 0 | 0 | 0 | 112.2 | F815 N816 S821 L822 D823 L1054 | F815-Y819 HydrophobicContact CB-CE2 4.36Å; F815-Y819 WeakPolarHBondContact O-CD2 3.44Å; F815-Y819 PolarHBondContact O-N 2.91Å; N816-Y819 PolarHBondContact O-N 3.43Å; Y819-S821 VanDerWaalsContact C-N 3.29Å; Y819-S821 PolarHBondContact O-N 3.28Å; Y819-L822 PolarHBondContact O-N 3.27Å; Y819-D823 WeakPolarHBondContact O-CB 3.48Å; Y819-D823 PolarHBondContact O-N 3.29Å; Y819-L1054 HydrophobicContact CE1-CB 4.36Å; Y819-L1054 HydrophobicContact CE1-CD1 3.92Å |
| 820 | E | 81.3 | Confident | 77.6 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.5 | -40 | 176.1 | -169.5 | -163.7 | 153.9 | 0 | 0 | 111.9 | N816 K817 L818 N824 | N816-E820 PolarHBondContact O-N 2.84Å; K817-E820 HydrophobicContact CD-CB 4.43Å; K817-E820 WeakPolarHBondContact CD-OE2 3.43Å; K817-E820 IonicContact NZ-OE1 3.5Å; K817-E820 PolarHBondContact NZ-OE1 3.41Å; K817-E820 IonicContact NZ-OE2 2.89Å; K817-E820 PolarHBondContact NZ-OE2 2.81Å; K817-E820 PolarHBondContact O-N 3.39Å; L818-E820 PolarHBondContact O-N 3.47Å; E820-N824 WeakPolarHBondContact O-CB 3.27Å; E820-N824 PolarHBondContact O-N 2.82Å |
| 821 | S | 79.8 | Confident | 78.3 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73 | -35.9 | 179.2 | -54 | 0 | 0 | 0 | 0 | 112.2 | K817 L818 Y819 H825 | K817-S821 WeakPolarHBondContact O-CB 3.47Å; K817-S821 PolarHBondContact O-N 3.03Å; K817-S821 PolarHBondContact O-OG 3.38Å; L818-S821 PolarHBondContact O-N 2.97Å; Y819-S821 VanDerWaalsContact C-N 3.29Å; Y819-S821 PolarHBondContact O-N 3.28Å; S821-H825 WeakPolarHBondContact O-CB 3.47Å; S821-H825 PolarHBondContact O-N 3.26Å |
| 822 | L | 75.3 | Confident | 78.7 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 173.7 | -75.6 | 165.7 | 0 | 0 | 0 | 110.7 | L818 Y819 N824 H825 V826 V900 F1039 | L818-L822 HydrophobicContact CD1-CD1 4.37Å; L818-L822 HydrophobicContact CD1-CG 4.42Å; L818-L822 HydrophobicContact CD2-CD1 4.21Å; L818-L822 HydrophobicContact CG-CD1 3.77Å; L818-L822 HydrophobicContact CG-CG 4.26Å; L818-L822 WeakPolarHBondContact O-CB 3.42Å; L818-L822 WeakPolarHBondContact O-CG 3.31Å; L818-L822 PolarHBondContact O-N 2.92Å; Y819-L822 PolarHBondContact O-N 3.27Å; L822-N824 VanDerWaalsContact C-N 3.31Å; L822-N824 PolarHBondContact O-N 2.93Å; L822-H825 PolarHBondContact O-N 3.06Å; L822-V826 VanDerWaalsContact O-CG2 3.32Å; L822-V826 WeakPolarHBondContact O-CG2 3.16Å; L822-V826 PolarHBondContact O-N 3.1Å; L822-V900 HydrophobicContact CD2-CG1 3.64Å; L822-V900 HydrophobicContact CD2-CG2 4.21Å; L822-V900 HydrophobicContact CG-CG1 4.38Å; L822-V900 HydrophobicContact CG-CG2 4.42Å; L822-F1039 HydrophobicContact CD2-CD2 3.64Å; L822-F1039 HydrophobicContact CD2-CE2 3.13Å; L822-F1039 HydrophobicContact CD2-CZ 3.64Å; L822-F1039 HydrophobicContact CG-CE2 4.44Å |
| 823 | D | 76.3 | Confident | 79 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -43.3 | 176.4 | -79.8 | -16.2 | 0 | 0 | 0 | 110.7 | Y819 V826 N827 | Y819-D823 WeakPolarHBondContact O-CB 3.48Å; Y819-D823 PolarHBondContact O-N 3.29Å; D823-V826 PolarHBondContact O-N 2.68Å; D823-N827 WeakPolarHBondContact O-CB 3.42Å; D823-N827 PolarHBondContact O-N 3.46Å; D823-N827 PolarHBondContact O-ND2 3Å |
| 824 | N | 83.3 | Confident | 79.3 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 43% | 0.428 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 175.1 | -171.6 | 30.2 | 0 | 0 | 0 | 111.9 | E820 L822 V826 N827 K828 | E820-N824 WeakPolarHBondContact O-CB 3.27Å; E820-N824 PolarHBondContact O-N 2.82Å; L822-N824 VanDerWaalsContact C-N 3.31Å; L822-N824 PolarHBondContact O-N 2.93Å; N824-V826 PolarHBondContact O-N 2.85Å; N824-N827 PolarHBondContact O-N 2.89Å; N824-K828 WeakPolarHBondContact O-CB 3.28Å; N824-K828 VanDerWaalsContact O-CG 3.3Å; N824-K828 WeakPolarHBondContact O-CG 3.3Å; N824-K828 PolarHBondContact O-N 3.31Å |
| 825 | H | 80.5 | Confident | 79.6 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 177.5 | 176.7 | -89.7 | 0 | 0 | 0 | 112.4 | S821 L822 K828 R829 Y893 S896 G897 V900 F1039 | S821-H825 WeakPolarHBondContact O-CB 3.47Å; S821-H825 PolarHBondContact O-N 3.26Å; L822-H825 PolarHBondContact O-N 3.06Å; H825-K828 PolarHBondContact O-N 3.34Å; H825-R829 WeakPolarHBondContact O-CB 3.22Å; H825-R829 PolarHBondContact O-N 2.98Å; H825-Y893 AromaticContact CE1-CE2 3.66Å; H825-Y893 AromaticContact NE2-CD2 3.89Å; H825-Y893 AromaticContact NE2-CE2 3.34Å; H825-Y893 VanDerWaalsContact NE2-CE2 3.34Å; H825-Y893 WeakPolarHBondContact NE2-CE2 3.28Å; H825-Y893 AromaticContact NE2-CZ 3.73Å; H825-S896 WeakPolarHBondContact CA-OG 3.3Å; H825-S896 PolarHBondContact CD2-OG 3.01Å; H825-S896 VanDerWaalsContact CD2-OG 3.28Å; H825-G897 VanDerWaalsContact CD2-CA 3.48Å; H825-G897 WeakPolarHBondContact CD2-CA 3.12Å; H825-G897 PolarHBondContact CD2-N 3.17Å; H825-V900 HydrophobicContact CB-CG2 4.18Å; H825-F1039 HydrophobicContact CB-CZ 4.24Å; H825-F1039 AromaticContact CE1-CE1 3.48Å; H825-F1039 VanDerWaalsContact CE1-CE1 3.48Å; H825-F1039 WeakPolarHBondContact CE1-CE1 3.34Å; H825-F1039 AromaticContact CE1-CZ 3.43Å; H825-F1039 VanDerWaalsContact CE1-CZ 3.43Å; H825-F1039 WeakPolarHBondContact CE1-CZ 3.25Å; H825-F1039 AromaticContact CG-CZ 3.7Å; H825-F1039 AromaticContact ND1-CE1 3.6Å; H825-F1039 AromaticContact ND1-CE2 3.81Å; H825-F1039 AromaticContact ND1-CZ 3.02Å; H825-F1039 WeakPolarHBondContact ND1-CZ 3.39Å |
| 826 | V | 74 | Confident | 80 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L822 D823 N824 K828 R829 L830 F1039 | L822-V826 VanDerWaalsContact O-CG2 3.32Å; L822-V826 WeakPolarHBondContact O-CG2 3.16Å; L822-V826 PolarHBondContact O-N 3.1Å; D823-V826 PolarHBondContact O-N 2.68Å; N824-V826 PolarHBondContact O-N 2.85Å; V826-K828 VanDerWaalsContact C-N 3.32Å; V826-K828 PolarHBondContact O-N 2.85Å; V826-R829 WeakPolarHBondContact O-CB 3.23Å; V826-R829 PolarHBondContact O-N 2.59Å; V826-L830 HydrophobicContact CG1-CD1 4.19Å; V826-L830 HydrophobicContact CG1-CG 4.48Å; V826-L830 WeakPolarHBondContact O-CG 3.24Å; V826-L830 PolarHBondContact O-N 2.87Å; V826-F1039 HydrophobicContact CG2-CE2 4.34Å |
| 827 | N | 81.3 | Confident | 80.2 | Confident | 97 Ų | 97 | 50 Ų | 50 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.9 | -71.2 | -30.9 | 0 | 0 | 0 | 111.5 | D823 N824 L830 E831 | D823-N827 WeakPolarHBondContact O-CB 3.42Å; D823-N827 PolarHBondContact O-N 3.46Å; D823-N827 PolarHBondContact O-ND2 3Å; N824-N827 PolarHBondContact O-N 2.89Å; N827-L830 PolarHBondContact O-N 3.14Å; N827-E831 WeakPolarHBondContact O-CB 3.28Å; N827-E831 PolarHBondContact O-N 3.33Å |
| 828 | K | 81.3 | Confident | 80.5 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 175.9 | -70.5 | -70.5 | 160.5 | -163.7 | 0 | 112.7 | N824 H825 V826 E831 L832 E892 | N824-K828 WeakPolarHBondContact O-CB 3.28Å; N824-K828 VanDerWaalsContact O-CG 3.3Å; N824-K828 WeakPolarHBondContact O-CG 3.3Å; N824-K828 PolarHBondContact O-N 3.31Å; H825-K828 PolarHBondContact O-N 3.34Å; V826-K828 VanDerWaalsContact C-N 3.32Å; V826-K828 PolarHBondContact O-N 2.85Å; K828-E831 IonicContact NZ-OE2 3.95Å; K828-E831 PolarHBondContact NZ-OE2 3.32Å; K828-E831 PolarHBondContact O-N 2.83Å; K828-L832 WeakPolarHBondContact O-CB 3.45Å; K828-L832 PolarHBondContact O-N 3.04Å; K828-E892 HydrophobicContact CD-CB 3.97Å; K828-E892 WeakPolarHBondContact CD-OE2 3.11Å; K828-E892 WeakPolarHBondContact CE-OE2 3.35Å; K828-E892 IonicContact NZ-OE2 2.68Å; K828-E892 PolarHBondContact NZ-OE2 2.84Å |
| 829 | R | 76.4 | Confident | 81 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 172.7 | -172.7 | 178.5 | 179.2 | 177 | -5.1 | 112 | H825 V826 E831 L832 D833 Y893 E954 F1039 | H825-R829 WeakPolarHBondContact O-CB 3.22Å; H825-R829 PolarHBondContact O-N 2.98Å; V826-R829 WeakPolarHBondContact O-CB 3.23Å; V826-R829 PolarHBondContact O-N 2.59Å; R829-E831 VanDerWaalsContact C-N 3.32Å; R829-E831 PolarHBondContact O-N 3.33Å; R829-L832 PolarHBondContact O-N 3.48Å; R829-D833 WeakPolarHBondContact O-CB 3.49Å; R829-D833 PolarHBondContact O-N 2.89Å; R829-Y893 HydrophobicContact CB-CD2 4.2Å; R829-Y893 HydrophobicContact CB-CE2 3.99Å; R829-Y893 HydrophobicContact CG-CE2 4.14Å; R829-E954 IonicContact CZ-OE1 3.39Å; R829-E954 IonicContact NE-OE1 3.17Å; R829-E954 PolarHBondContact NE-OE1 2.72Å; R829-E954 IonicContact NE-OE2 2.7Å; R829-E954 IonicContact NH2-OE1 2.75Å; R829-E954 PolarHBondContact NH2-OE1 2.84Å; R829-F1039 PolarHBondContact NH1-O 2.96Å |
| 830 | L | 78.2 | Confident | 81.6 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 175.9 | -69.9 | 172.8 | 0 | 0 | 0 | 111.9 | V826 N827 N834 | V826-L830 HydrophobicContact CG1-CD1 4.19Å; V826-L830 HydrophobicContact CG1-CG 4.48Å; V826-L830 WeakPolarHBondContact O-CG 3.24Å; V826-L830 PolarHBondContact O-N 2.87Å; N827-L830 PolarHBondContact O-N 3.14Å; L830-N834 WeakPolarHBondContact O-CB 3.44Å; L830-N834 VanDerWaalsContact O-CG 3.23Å; L830-N834 PolarHBondContact O-N 2.77Å; L830-N834 PolarHBondContact O-ND2 2.75Å |
| 831 | E | 84.7 | Confident | 82 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.5 | -163.7 | 175.8 | -171.3 | 0 | 0 | 111.1 | N827 K828 R829 N834 Q835 L889 | N827-E831 WeakPolarHBondContact O-CB 3.28Å; N827-E831 PolarHBondContact O-N 3.33Å; K828-E831 IonicContact NZ-OE2 3.95Å; K828-E831 PolarHBondContact NZ-OE2 3.32Å; K828-E831 PolarHBondContact O-N 2.83Å; R829-E831 VanDerWaalsContact C-N 3.32Å; R829-E831 PolarHBondContact O-N 3.33Å; E831-N834 PolarHBondContact O-N 2.84Å; E831-Q835 VanDerWaalsContact O-CG 3.29Å; E831-Q835 WeakPolarHBondContact O-CG 3.48Å; E831-Q835 PolarHBondContact O-N 3.5Å; E831-Q835 VanDerWaalsContact O-N 3.11Å; E831-L889 HydrophobicContact CB-CD1 4.44Å; E831-L889 HydrophobicContact CB-CD2 4.48Å; E831-L889 VanDerWaalsContact CD-CD2 3.43Å; E831-L889 HydrophobicContact CG-CD1 3.83Å; E831-L889 HydrophobicContact CG-CD2 3.89Å; E831-L889 WeakPolarHBondContact OE2-CD2 3.38Å |
| 832 | L | 81.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -50.4 | 175.7 | -171.3 | 107.3 | 0 | 0 | 0 | 111.7 | K828 R829 N834 Q835 I836 L889 T890 L951 | K828-L832 WeakPolarHBondContact O-CB 3.45Å; K828-L832 PolarHBondContact O-N 3.04Å; R829-L832 PolarHBondContact O-N 3.48Å; L832-N834 VanDerWaalsContact C-N 3.34Å; L832-N834 PolarHBondContact O-N 3.33Å; L832-Q835 CarbonylContact O-C 3.53Å; L832-Q835 PolarHBondContact O-N 2.91Å; L832-Q835 VanDerWaalsContact O-N 3.07Å; L832-I836 HydrophobicContact CD2-CD1 3.62Å; L832-I836 HydrophobicContact CG-CD1 3.92Å; L832-I836 HydrophobicContact CG-CG1 4.46Å; L832-I836 WeakPolarHBondContact O-CG1 3.27Å; L832-I836 PolarHBondContact O-N 3.22Å; L832-L889 HydrophobicContact CD1-CB 4.04Å; L832-T890 WeakPolarHBondContact CD1-OG1 3.43Å; L832-L951 HydrophobicContact CD2-CD1 3.54Å |
| 833 | D | 78.6 | Confident | 83.1 | Confident | 71 Ų | 71 | 54 Ų | 54 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 179.7 | -177.5 | 44.4 | 0 | 0 | 0 | 112.5 | R829 Q835 I836 S837 | R829-D833 WeakPolarHBondContact O-CB 3.49Å; R829-D833 PolarHBondContact O-N 2.89Å; D833-Q835 VanDerWaalsContact C-N 3.31Å; D833-Q835 PolarHBondContact O-N 3.49Å; D833-I836 PolarHBondContact O-N 3.24Å; D833-S837 WeakPolarHBondContact O-CB 3.37Å; D833-S837 PolarHBondContact O-N 3.29Å; D833-S837 PolarHBondContact O-OG 2.84Å; D833-S837 VanDerWaalsContact O-OG 3.08Å |
| 834 | N | 85.2 | Confident | 83.7 | Confident | 107 Ų | 107 | 56.5 Ų | 56.5 | 57% | 0.572 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61 | -39.7 | 173.9 | -78 | -45.8 | 0 | 0 | 0 | 112.1 | L830 E831 L832 K838 | L830-N834 WeakPolarHBondContact O-CB 3.44Å; L830-N834 VanDerWaalsContact O-CG 3.23Å; L830-N834 PolarHBondContact O-N 2.77Å; L830-N834 PolarHBondContact O-ND2 2.75Å; E831-N834 PolarHBondContact O-N 2.84Å; L832-N834 VanDerWaalsContact C-N 3.34Å; L832-N834 PolarHBondContact O-N 3.33Å; N834-K838 WeakPolarHBondContact O-CB 3.32Å; N834-K838 PolarHBondContact O-N 3.41Å |
| 835 | Q | 86.4 | Confident | 84.1 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75.1 | -36.2 | 178.3 | -63.6 | -66 | -15.4 | 0 | 0 | 112.3 | E831 L832 D833 S837 K838 L839 L885 L886 L889 | E831-Q835 VanDerWaalsContact O-CG 3.29Å; E831-Q835 WeakPolarHBondContact O-CG 3.48Å; E831-Q835 PolarHBondContact O-N 3.5Å; E831-Q835 VanDerWaalsContact O-N 3.11Å; L832-Q835 CarbonylContact O-C 3.53Å; L832-Q835 PolarHBondContact O-N 2.91Å; L832-Q835 VanDerWaalsContact O-N 3.07Å; D833-Q835 VanDerWaalsContact C-N 3.31Å; D833-Q835 PolarHBondContact O-N 3.49Å; Q835-S837 VanDerWaalsContact C-N 3.35Å; Q835-K838 PolarHBondContact O-N 2.92Å; Q835-L839 WeakPolarHBondContact O-CB 3.22Å; Q835-L839 PolarHBondContact O-N 3.13Å; Q835-L885 HydrophobicContact CB-CD2 4.26Å; Q835-L885 HydrophobicContact CG-CD2 3.52Å; Q835-L886 HydrophobicContact CB-CD2 3.67Å; Q835-L886 HydrophobicContact CB-CG 4.14Å; Q835-L889 HydrophobicContact CB-CD1 4.27Å; Q835-L889 HydrophobicContact CG-CD1 3.64Å |
| 836 | I | 82.6 | Confident | 84.7 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 172.5 | -69.5 | 171.5 | 0 | 0 | 0 | 110.1 | L832 D833 K838 L839 T840 L886 | L832-I836 HydrophobicContact CD2-CD1 3.62Å; L832-I836 HydrophobicContact CG-CD1 3.92Å; L832-I836 HydrophobicContact CG-CG1 4.46Å; L832-I836 WeakPolarHBondContact O-CG1 3.27Å; L832-I836 PolarHBondContact O-N 3.22Å; D833-I836 PolarHBondContact O-N 3.24Å; I836-K838 VanDerWaalsContact C-N 3.35Å; I836-K838 PolarHBondContact O-N 2.92Å; I836-L839 PolarHBondContact O-N 2.88Å; I836-T840 WeakPolarHBondContact O-CB 3.33Å; I836-T840 PolarHBondContact O-N 3.32Å; I836-T840 PolarHBondContact O-OG1 2.94Å; I836-L886 HydrophobicContact CG1-CD2 3.67Å |
| 837 | S | 83.4 | Confident | 85.5 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | D833 Q835 T840 V841 | D833-S837 WeakPolarHBondContact O-CB 3.37Å; D833-S837 PolarHBondContact O-N 3.29Å; D833-S837 PolarHBondContact O-OG 2.84Å; D833-S837 VanDerWaalsContact O-OG 3.08Å; Q835-S837 VanDerWaalsContact C-N 3.35Å; S837-T840 PolarHBondContact O-N 2.89Å; S837-V841 WeakPolarHBondContact O-CG2 3.4Å; S837-V841 PolarHBondContact O-N 3.4Å; S837-V841 VanDerWaalsContact O-N 3.08Å |
| 838 | K | 88.1 | Confident | 85.9 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 175.6 | -174.4 | -174.2 | 174.6 | -163.4 | 0 | 112.2 | N834 Q835 I836 T840 V841 Q842 | N834-K838 WeakPolarHBondContact O-CB 3.32Å; N834-K838 PolarHBondContact O-N 3.41Å; Q835-K838 PolarHBondContact O-N 2.92Å; I836-K838 VanDerWaalsContact C-N 3.35Å; I836-K838 PolarHBondContact O-N 2.92Å; K838-T840 VanDerWaalsContact C-N 3.3Å; K838-T840 PolarHBondContact O-N 3.4Å; K838-V841 PolarHBondContact O-N 2.86Å; K838-Q842 WeakPolarHBondContact O-CG 3.27Å; K838-Q842 PolarHBondContact O-N 3.45Å |
| 839 | L | 88.7 | Confident | 86.2 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.8 | -176.4 | 76.7 | 0 | 0 | 0 | 110.5 | Q835 I836 V841 Q842 A843 L879 T882 L886 | Q835-L839 WeakPolarHBondContact O-CB 3.22Å; Q835-L839 PolarHBondContact O-N 3.13Å; I836-L839 PolarHBondContact O-N 2.88Å; L839-V841 VanDerWaalsContact C-N 3.34Å; L839-V841 PolarHBondContact O-N 2.88Å; L839-Q842 PolarHBondContact O-N 3.44Å; L839-A843 VanDerWaalsContact O-CB 3.25Å; L839-A843 WeakPolarHBondContact O-CB 3.35Å; L839-A843 PolarHBondContact O-N 3.24Å; L839-L879 HydrophobicContact CD1-CD2 3.65Å; L839-L879 HydrophobicContact CG-CD2 4.47Å; L839-T882 HydrophobicContact CB-CG2 3.95Å; L839-T882 HydrophobicContact CD1-CG2 3.98Å; L839-L886 HydrophobicContact CB-CD1 4.03Å; L839-L886 HydrophobicContact CD1-CD1 4.45Å; L839-L886 HydrophobicContact CD2-CD1 3.58Å; L839-L886 HydrophobicContact CG-CD1 4.21Å |
| 840 | T | 87.1 | Confident | 86.9 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | I836 S837 K838 A843 R844 | I836-T840 WeakPolarHBondContact O-CB 3.33Å; I836-T840 PolarHBondContact O-N 3.32Å; I836-T840 PolarHBondContact O-OG1 2.94Å; S837-T840 PolarHBondContact O-N 2.89Å; K838-T840 VanDerWaalsContact C-N 3.3Å; K838-T840 PolarHBondContact O-N 3.4Å; T840-A843 PolarHBondContact O-N 2.89Å; T840-R844 WeakPolarHBondContact O-CB 3.21Å; T840-R844 VanDerWaalsContact O-CG 3.26Å; T840-R844 WeakPolarHBondContact O-CG 3.47Å; T840-R844 PolarHBondContact O-N 2.87Å |
| 841 | V | 89.2 | Confident | 87.4 | Confident | 98 Ų | 98 | 69.7 Ų | 69.7 | 59% | 0.594 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.7 | -45.1 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | S837 K838 L839 A843 R844 H845 | S837-V841 WeakPolarHBondContact O-CG2 3.4Å; S837-V841 PolarHBondContact O-N 3.4Å; S837-V841 VanDerWaalsContact O-N 3.08Å; K838-V841 PolarHBondContact O-N 2.86Å; L839-V841 VanDerWaalsContact C-N 3.34Å; L839-V841 PolarHBondContact O-N 2.88Å; V841-A843 PolarHBondContact O-N 3.19Å; V841-R844 PolarHBondContact O-N 2.99Å; V841-H845 WeakPolarHBondContact O-CB 3.48Å; V841-H845 PolarHBondContact O-N 3.23Å |
| 842 | Q | 89.6 | Confident | 87.4 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 177.4 | -72.6 | 173.3 | -24.7 | 0 | 0 | 112.1 | K838 L839 H845 Y846 L879 T882 | K838-Q842 WeakPolarHBondContact O-CG 3.27Å; K838-Q842 PolarHBondContact O-N 3.45Å; L839-Q842 PolarHBondContact O-N 3.44Å; Q842-H845 PolarHBondContact O-N 3.45Å; Q842-Y846 WeakPolarHBondContact O-CB 3.42Å; Q842-Y846 PolarHBondContact O-N 3.41Å; Q842-L879 HydrophobicContact CB-CD2 3.72Å; Q842-L879 HydrophobicContact CB-CG 4.37Å; Q842-T882 PolarHBondContact OE1-OG1 2.93Å |
| 843 | A | 89.8 | Confident | 87.7 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 35% | 0.347 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L839 T840 V841 R847 L879 | L839-A843 VanDerWaalsContact O-CB 3.25Å; L839-A843 WeakPolarHBondContact O-CB 3.35Å; L839-A843 PolarHBondContact O-N 3.24Å; T840-A843 PolarHBondContact O-N 2.89Å; V841-A843 PolarHBondContact O-N 3.19Å; A843-R847 VanDerWaalsContact O-CB 3.26Å; A843-R847 WeakPolarHBondContact O-CB 3.14Å; A843-R847 PolarHBondContact O-N 3.44Å; A843-L879 HydrophobicContact CB-CD2 4.1Å |
| 844 | R | 89.2 | Confident | 88 | Confident | 136 Ų | 136 | 69.9 Ų | 69.9 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 171.4 | -74.7 | 175.3 | -175.1 | -168.8 | 1.4 | 111.1 | T840 V841 R847 A848 | T840-R844 WeakPolarHBondContact O-CB 3.21Å; T840-R844 VanDerWaalsContact O-CG 3.26Å; T840-R844 WeakPolarHBondContact O-CG 3.47Å; T840-R844 PolarHBondContact O-N 2.87Å; V841-R844 PolarHBondContact O-N 2.99Å; R844-R847 PolarHBondContact O-N 3.48Å; R844-A848 WeakPolarHBondContact O-CB 3.23Å; R844-A848 PolarHBondContact O-N 3.23Å |
| 845 | H | 91.1 | Very high | 88 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 39% | 0.389 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -51.4 | 176.8 | -175.2 | -92.3 | 0 | 0 | 0 | 111.6 | V841 Q842 R847 A848 V849 D875 | V841-H845 WeakPolarHBondContact O-CB 3.48Å; V841-H845 PolarHBondContact O-N 3.23Å; Q842-H845 PolarHBondContact O-N 3.45Å; H845-R847 VanDerWaalsContact C-N 3.28Å; H845-R847 PolarHBondContact O-N 2.83Å; H845-A848 WeakPolarHBondContact O-CB 3.25Å; H845-A848 PolarHBondContact O-N 2.88Å; H845-V849 WeakPolarHBondContact O-CG2 3.28Å; H845-V849 PolarHBondContact O-N 3.16Å; H845-D875 IonicContact CE1-OD1 3.46Å; H845-D875 IonicContact CE1-OD2 3.78Å; H845-D875 PolarHBondContact CE1-OD2 3.39Å; H845-D875 IonicContact CG-OD2 3.47Å; H845-D875 IonicContact ND1-OD1 3.69Å; H845-D875 IonicContact ND1-OD2 3.54Å; H845-D875 PolarHBondContact ND1-OD2 3.5Å |
| 846 | Y | 91.8 | Very high | 87.8 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.5 | -45.1 | 176 | 180 | -96 | 0 | 0 | 0 | 111.6 | Q842 A848 V849 Q850 L872 D875 M876 L879 | Q842-Y846 WeakPolarHBondContact O-CB 3.42Å; Q842-Y846 PolarHBondContact O-N 3.41Å; Y846-A848 PolarHBondContact O-N 2.7Å; Y846-V849 PolarHBondContact O-N 3.45Å; Y846-Q850 VanDerWaalsContact O-CB 3.27Å; Y846-Q850 WeakPolarHBondContact O-CB 3.29Å; Y846-Q850 PolarHBondContact O-N 3.08Å; Y846-L872 HydrophobicContact CD2-CD2 4.16Å; Y846-L872 HydrophobicContact CE2-CD2 3.81Å; Y846-D875 HydrophobicContact CD2-CB 3.8Å; Y846-M876 HydrophobicContact CE2-CB 4.25Å; Y846-L879 HydrophobicContact CD1-CD1 4.25Å; Y846-L879 HydrophobicContact CD2-CD1 4.14Å; Y846-L879 HydrophobicContact CG-CD1 3.78Å |
| 847 | R | 90.9 | Very high | 87.8 | Confident | 154 Ų | 154 | 77.8 Ų | 77.8 | 58% | 0.581 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | 178.3 | -164.6 | 173.6 | -161 | 165 | 4.2 | 112.8 | A843 R844 H845 R851 | A843-R847 VanDerWaalsContact O-CB 3.26Å; A843-R847 WeakPolarHBondContact O-CB 3.14Å; A843-R847 PolarHBondContact O-N 3.44Å; R844-R847 PolarHBondContact O-N 3.48Å; H845-R847 VanDerWaalsContact C-N 3.28Å; H845-R847 PolarHBondContact O-N 2.83Å; R847-R851 WeakPolarHBondContact O-CB 3.42Å; R847-R851 WeakPolarHBondContact O-CG 3.5Å; R847-R851 PolarHBondContact O-N 2.79Å |
| 848 | A | 89.5 | Confident | 87.7 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.9 | -48.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | R844 H845 Y846 Q850 R851 E852 | R844-A848 WeakPolarHBondContact O-CB 3.23Å; R844-A848 PolarHBondContact O-N 3.23Å; H845-A848 WeakPolarHBondContact O-CB 3.25Å; H845-A848 PolarHBondContact O-N 2.88Å; Y846-A848 PolarHBondContact O-N 2.7Å; A848-Q850 PolarHBondContact O-N 2.69Å; A848-R851 PolarHBondContact O-N 2.86Å; A848-E852 PolarHBondContact O-N 2.88Å |
| 849 | V | 88.5 | Confident | 87.3 | Confident | 7 Ų | 7 | 80.4 Ų | 80.4 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | H845 Y846 R851 E852 V853 F868 L871 L872 | H845-V849 WeakPolarHBondContact O-CG2 3.28Å; H845-V849 PolarHBondContact O-N 3.16Å; Y846-V849 PolarHBondContact O-N 3.45Å; V849-R851 PolarHBondContact O-N 3.21Å; V849-E852 PolarHBondContact O-N 2.81Å; V849-V853 WeakPolarHBondContact O-CG2 3.45Å; V849-V853 PolarHBondContact O-N 3.33Å; V849-F868 HydrophobicContact CG1-CD1 3.85Å; V849-F868 HydrophobicContact CG1-CE1 4.32Å; V849-L871 HydrophobicContact CB-CD2 4.47Å; V849-L871 HydrophobicContact CG1-CD2 3.86Å; V849-L871 HydrophobicContact CG1-CG 4.23Å; V849-L871 HydrophobicContact CG2-CD2 3.66Å; V849-L871 HydrophobicContact CG2-CG 4.24Å; V849-L872 HydrophobicContact CB-CD2 4.32Å; V849-L872 HydrophobicContact CG1-CD2 3.74Å; V849-L872 HydrophobicContact CG1-CG 3.9Å |
| 850 | Q | 90.5 | Very high | 86.5 | Confident | 90 Ų | 90 | 84.5 Ų | 84.5 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 177.3 | -172.7 | -174.4 | 5.4 | 0 | 0 | 112 | Y846 A848 V853 V854 L872 | Y846-Q850 VanDerWaalsContact O-CB 3.27Å; Y846-Q850 WeakPolarHBondContact O-CB 3.29Å; Y846-Q850 PolarHBondContact O-N 3.08Å; A848-Q850 PolarHBondContact O-N 2.69Å; Q850-V853 PolarHBondContact O-N 2.83Å; Q850-V854 VanDerWaalsContact O-CG2 3.27Å; Q850-V854 WeakPolarHBondContact O-CG2 3.37Å; Q850-V854 PolarHBondContact O-N 3.4Å; Q850-L872 HydrophobicContact CB-CD2 4.49Å |
| 851 | R | 89.1 | Confident | 85.9 | Confident | 156 Ų | 156 | 89.4 Ų | 89.4 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61 | -45.2 | 175.5 | -80 | 178.6 | 179.5 | 169.4 | -0.5 | 111.6 | R847 A848 V849 V853 V854 E855 | R847-R851 WeakPolarHBondContact O-CB 3.42Å; R847-R851 WeakPolarHBondContact O-CG 3.5Å; R847-R851 PolarHBondContact O-N 2.79Å; A848-R851 PolarHBondContact O-N 2.86Å; V849-R851 PolarHBondContact O-N 3.21Å; R851-V853 VanDerWaalsContact C-N 3.34Å; R851-V853 PolarHBondContact O-N 2.79Å; R851-V854 PolarHBondContact O-N 3.01Å; R851-E855 WeakPolarHBondContact O-CG 3.14Å; R851-E855 PolarHBondContact O-N 3.15Å |
| 852 | E | 85.6 | Confident | 84.6 | Confident | 77 Ų | 77 | 91 Ų | 91 | 36% | 0.36 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 179.4 | -165.1 | 176.8 | 164.9 | 0 | 0 | 111.8 | A848 V849 E855 R856 F868 | A848-E852 PolarHBondContact O-N 2.88Å; V849-E852 PolarHBondContact O-N 2.81Å; E852-E855 PolarHBondContact O-N 3.39Å; E852-R856 WeakPolarHBondContact O-CB 3.47Å; E852-R856 VanDerWaalsContact O-CG 3.3Å; E852-R856 WeakPolarHBondContact O-CG 3.03Å; E852-R856 PolarHBondContact O-N 2.89Å; E852-R856 IonicContact OE1-CZ 2.7Å; E852-R856 IonicContact OE1-NE 2.83Å; E852-R856 PolarHBondContact OE1-NE 2.85Å; E852-R856 IonicContact OE1-NH2 3.45Å; E852-R856 PolarHBondContact OE1-NH2 2.86Å; E852-F868 HydrophobicContact CB-CE1 4.39Å; E852-F868 HydrophobicContact CG-CE1 4.27Å; E852-F868 HydrophobicContact CG-CZ 4.37Å |
| 853 | V | 86.1 | Confident | 83.5 | Confident | 16 Ų | 16 | 93 Ų | 93 | 10% | 0.097 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 173.2 | 171 | 0 | 0 | 0 | 0 | 111.3 | V849 Q850 R851 E855 R856 I857 L865 F868 L872 | V849-V853 WeakPolarHBondContact O-CG2 3.45Å; V849-V853 PolarHBondContact O-N 3.33Å; Q850-V853 PolarHBondContact O-N 2.83Å; R851-V853 VanDerWaalsContact C-N 3.34Å; R851-V853 PolarHBondContact O-N 2.79Å; V853-E855 PolarHBondContact O-N 2.82Å; V853-R856 PolarHBondContact O-N 2.96Å; V853-I857 HydrophobicContact CG1-CD1 3.71Å; V853-I857 HydrophobicContact CG1-CG1 4.41Å; V853-I857 VanDerWaalsContact O-CG1 3.27Å; V853-I857 WeakPolarHBondContact O-CG1 3.31Å; V853-I857 PolarHBondContact O-N 2.8Å; V853-L865 HydrophobicContact CG1-CD2 4.34Å; V853-F868 HydrophobicContact CG2-CB 3.75Å; V853-F868 HydrophobicContact CG2-CD1 3.45Å; V853-F868 VanDerWaalsContact CG2-CD1 3.45Å; V853-F868 HydrophobicContact CG2-CE1 4.33Å; V853-F868 HydrophobicContact CG2-CG 3.82Å; V853-L872 HydrophobicContact CG2-CD1 4.11Å |
| 854 | V | 85.5 | Confident | 82.6 | Confident | 61 Ų | 61 | 95.3 Ų | 95.3 | 37% | 0.37 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | Q850 R851 I857 K858 | Q850-V854 VanDerWaalsContact O-CG2 3.27Å; Q850-V854 WeakPolarHBondContact O-CG2 3.37Å; Q850-V854 PolarHBondContact O-N 3.4Å; R851-V854 PolarHBondContact O-N 3.01Å; V854-I857 PolarHBondContact O-N 2.75Å; V854-K858 HydrophobicContact CG1-CD 4.12Å; V854-K858 WeakPolarHBondContact O-CB 3.38Å; V854-K858 VanDerWaalsContact O-CG 3.31Å; V854-K858 WeakPolarHBondContact O-CG 3.46Å; V854-K858 PolarHBondContact O-N 2.88Å |
| 855 | E | 84.7 | Confident | 82 | Confident | 134 Ų | 134 | 91.7 Ų | 91.7 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 176.1 | -74.9 | 178.5 | -179.1 | 0 | 0 | 111.9 | R851 E852 V853 K858 S859 | R851-E855 WeakPolarHBondContact O-CG 3.14Å; R851-E855 PolarHBondContact O-N 3.15Å; E852-E855 PolarHBondContact O-N 3.39Å; V853-E855 PolarHBondContact O-N 2.82Å; E855-K858 PolarHBondContact O-N 2.78Å; E855-S859 PolarHBondContact O-N 2.96Å |
| 856 | R | 83.4 | Confident | 81.3 | Confident | 75 Ų | 75 | 94.4 Ų | 94.4 | 28% | 0.283 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 175.4 | -71.3 | 178.2 | -173.1 | -143 | 5.6 | 112.5 | E852 V853 S859 N863 C864 L865 F868 | E852-R856 WeakPolarHBondContact O-CB 3.47Å; E852-R856 VanDerWaalsContact O-CG 3.3Å; E852-R856 WeakPolarHBondContact O-CG 3.03Å; E852-R856 PolarHBondContact O-N 2.89Å; E852-R856 IonicContact OE1-CZ 2.7Å; E852-R856 IonicContact OE1-NE 2.83Å; E852-R856 PolarHBondContact OE1-NE 2.85Å; E852-R856 IonicContact OE1-NH2 3.45Å; E852-R856 PolarHBondContact OE1-NH2 2.86Å; V853-R856 PolarHBondContact O-N 2.96Å; R856-S859 PolarHBondContact O-N 3.4Å; R856-S859 PolarHBondContact O-OG 3.33Å; R856-N863 HydrophobicContact CB-CB 4.13Å; R856-N863 HydrophobicContact CG-CB 4.16Å; R856-C864 PolarHBondContact NH1-O 3.04Å; R856-L865 HydrophobicContact CB-CD2 4.03Å; R856-F868 VanDerWaalsContact CZ-CZ 3.46Å |
| 857 | I | 81.5 | Confident | 80.7 | Confident | 115 Ų | 115 | 93.4 Ų | 93.4 | 59% | 0.59 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -37 | 175.1 | -69.4 | 167.4 | 0 | 0 | 0 | 111.5 | V853 V854 S859 L865 | V853-I857 HydrophobicContact CG1-CD1 3.71Å; V853-I857 HydrophobicContact CG1-CG1 4.41Å; V853-I857 VanDerWaalsContact O-CG1 3.27Å; V853-I857 WeakPolarHBondContact O-CG1 3.31Å; V853-I857 PolarHBondContact O-N 2.8Å; V854-I857 PolarHBondContact O-N 2.75Å; I857-S859 VanDerWaalsContact C-N 3.31Å; I857-L865 HydrophobicContact CG1-CD1 4.25Å |
| 858 | K | 81.1 | Confident | 80.4 | Confident | 170 Ų | 170 | 87.2 Ų | 87.2 | 74% | 0.739 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72 | -24 | 176.5 | -76.8 | 177.2 | 179.4 | 179.6 | 0 | 113.2 | V854 E855 | V854-K858 HydrophobicContact CG1-CD 4.12Å; V854-K858 WeakPolarHBondContact O-CB 3.38Å; V854-K858 VanDerWaalsContact O-CG 3.31Å; V854-K858 WeakPolarHBondContact O-CG 3.46Å; V854-K858 PolarHBondContact O-N 2.88Å; E855-K858 PolarHBondContact O-N 2.78Å |
| 859 | S | 79.7 | Confident | 80.1 | Confident | 42 Ų | 42 | 90 Ų | 90 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -67.8 | 134.9 | 179.9 | 76.7 | 0 | 0 | 0 | 0 | 111.1 | E855 R856 I857 Q861 N863 | E855-S859 PolarHBondContact O-N 2.96Å; R856-S859 PolarHBondContact O-N 3.4Å; R856-S859 PolarHBondContact O-OG 3.33Å; I857-S859 VanDerWaalsContact C-N 3.31Å; S859-Q861 PolarHBondContact O-N 3.19Å; S859-Q861 PolarHBondContact OG-O 2.78Å; S859-N863 PolarHBondContact OG-ND2 2.97Å |
| 860 | S | 73.7 | Confident | 80 | Confident | 126 Ų | 126 | 96.8 Ų | 96.8 | 88% | 0.881 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -73.4 | -12.4 | 178.5 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 861 | Q | 74.5 | Confident | 79.9 | Confident | 140 Ų | 140 | 94.6 Ų | 94.6 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -88.3 | 138.1 | 174.6 | -68 | -175.2 | -17.5 | 0 | 0 | 109.4 | S859 N863 | S859-Q861 PolarHBondContact O-N 3.19Å; S859-Q861 PolarHBondContact OG-O 2.78Å; Q861-N863 PolarHBondContact O-N 2.79Å |
| 862 | P | 60 | Low | 79.9 | Confident | 131 Ų | 131 | 88.8 Ų | 88.8 | 85% | 0.851 | 48% | 0.482 | S | S | * | . | trans | -68.4 | 94.1 | 177.9 | 28.1 | -32.6 | 0 | 0 | 0 | 109.6 | ||||
| 863 | N | 68 | Low | 80.1 | Confident | 75 Ų | 75 | 91 Ų | 91 | 40% | 0.401 | 49% | 0.492 | S | S | . | . | trans | -86.9 | 122.9 | 173 | -78.1 | -30.2 | 0 | 0 | 0 | 109.3 | R856 S859 Q861 L865 | R856-N863 HydrophobicContact CB-CB 4.13Å; R856-N863 HydrophobicContact CG-CB 4.16Å; S859-N863 PolarHBondContact OG-ND2 2.97Å; Q861-N863 PolarHBondContact O-N 2.79Å; N863-L865 PolarHBondContact O-N 2.84Å | ||
| 864 | C | 70.3 | Confident | 80.3 | Confident | 92 Ų | 92 | 97 Ų | 97 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | trans | -61.3 | 123.5 | 176.8 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | R856 N866 | R856-C864 PolarHBondContact NH1-O 3.04Å; C864-N866 PolarHBondContact O-N 2.79Å | ||
| 865 | L | 77.2 | Confident | 80.5 | Confident | 59 Ų | 59 | 94.7 Ų | 94.7 | 31% | 0.309 | 50% | 0.498 | S | S | . | . | trans | -88.1 | 14.6 | 173.6 | -66.9 | 169.7 | 0 | 0 | 0 | 112.2 | V853 R856 I857 N863 G867 F868 | V853-L865 HydrophobicContact CG1-CD2 4.34Å; R856-L865 HydrophobicContact CB-CD2 4.03Å; I857-L865 HydrophobicContact CG1-CD1 4.25Å; N863-L865 PolarHBondContact O-N 2.84Å; L865-G867 PolarHBondContact O-N 2.8Å; L865-F868 PolarHBondContact O-N 2.87Å; L865-F868 VanDerWaalsContact O-N 3.09Å | ||
| 866 | N | 75.6 | Confident | 80.8 | Confident | 141 Ų | 141 | 93 Ų | 93 | 75% | 0.754 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 126.7 | -175.3 | -69.8 | 1 | 0 | 0 | 0 | 110.4 | C864 F868 | C864-N866 PolarHBondContact O-N 2.79Å; N866-F868 VanDerWaalsContact C-N 3.3Å; N866-F868 PolarHBondContact O-N 2.96Å |
| 867 | G | 78.9 | Confident | 81.2 | Confident | 45 Ų | 45 | 93.5 Ų | 93.5 | 46% | 0.464 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -18.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L865 N869 L871 | L865-G867 PolarHBondContact O-N 2.8Å; G867-N869 PolarHBondContact O-N 2.86Å; G867-L871 VanDerWaalsContact O-CB 3.28Å; G867-L871 WeakPolarHBondContact O-CB 3.47Å; G867-L871 PolarHBondContact O-N 2.76Å |
| 868 | F | 84.9 | Confident | 81.7 | Confident | 24 Ų | 24 | 91 Ų | 91 | 11% | 0.105 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -70.4 | -31.9 | 178.6 | -80.5 | -88.4 | 0 | 0 | 0 | 112.9 | V849 E852 V853 R856 L865 N866 L871 L872 | V849-F868 HydrophobicContact CG1-CD1 3.85Å; V849-F868 HydrophobicContact CG1-CE1 4.32Å; E852-F868 HydrophobicContact CB-CE1 4.39Å; E852-F868 HydrophobicContact CG-CE1 4.27Å; E852-F868 HydrophobicContact CG-CZ 4.37Å; V853-F868 HydrophobicContact CG2-CB 3.75Å; V853-F868 HydrophobicContact CG2-CD1 3.45Å; V853-F868 VanDerWaalsContact CG2-CD1 3.45Å; V853-F868 HydrophobicContact CG2-CE1 4.33Å; V853-F868 HydrophobicContact CG2-CG 3.82Å; R856-F868 VanDerWaalsContact CZ-CZ 3.46Å; L865-F868 PolarHBondContact O-N 2.87Å; L865-F868 VanDerWaalsContact O-N 3.09Å; N866-F868 VanDerWaalsContact C-N 3.3Å; N866-F868 PolarHBondContact O-N 2.96Å; F868-L871 PolarHBondContact O-N 3.4Å; F868-L872 WeakPolarHBondContact O-CB 3.48Å; F868-L872 VanDerWaalsContact O-CG 3.3Å; F868-L872 WeakPolarHBondContact O-CG 3.38Å; F868-L872 PolarHBondContact O-N 3.03Å |
| 869 | N | 82.7 | Confident | 82.1 | Confident | 113 Ų | 113 | 84.2 Ų | 84.2 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.4 | -49.8 | 175.3 | -68.6 | -9.1 | 0 | 0 | 0 | 111.4 | G867 L871 L872 E873 | G867-N869 PolarHBondContact O-N 2.86Å; N869-L871 VanDerWaalsContact C-N 3.28Å; N869-L871 PolarHBondContact O-N 2.81Å; N869-L872 PolarHBondContact O-N 3.34Å; N869-E873 WeakPolarHBondContact O-CB 3.47Å; N869-E873 PolarHBondContact O-N 3.44Å |
| 870 | E | 86.3 | Confident | 82.6 | Confident | 151 Ų | 151 | 86.9 Ų | 86.9 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 176.7 | -66.2 | -179 | 175.9 | 0 | 0 | 111.4 | R874 | E870-R874 WeakPolarHBondContact O-CB 3.42Å; E870-R874 PolarHBondContact O-N 2.91Å |
| 871 | L | 89.5 | Confident | 83.4 | Confident | 43 Ų | 43 | 84.7 Ų | 84.7 | 23% | 0.225 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66 | -46.5 | 176.4 | -171.7 | 63.9 | 0 | 0 | 0 | 112 | V849 G867 F868 N869 R874 D875 | V849-L871 HydrophobicContact CB-CD2 4.47Å; V849-L871 HydrophobicContact CG1-CD2 3.86Å; V849-L871 HydrophobicContact CG1-CG 4.23Å; V849-L871 HydrophobicContact CG2-CD2 3.66Å; V849-L871 HydrophobicContact CG2-CG 4.24Å; G867-L871 VanDerWaalsContact O-CB 3.28Å; G867-L871 WeakPolarHBondContact O-CB 3.47Å; G867-L871 PolarHBondContact O-N 2.76Å; F868-L871 PolarHBondContact O-N 3.4Å; N869-L871 VanDerWaalsContact C-N 3.28Å; N869-L871 PolarHBondContact O-N 2.81Å; L871-R874 PolarHBondContact O-N 3.34Å; L871-D875 WeakPolarHBondContact O-CB 3.44Å; L871-D875 PolarHBondContact O-N 2.94Å |
| 872 | L | 89 | Confident | 84.1 | Confident | 34 Ų | 34 | 78.2 Ų | 78.2 | 18% | 0.178 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.4 | -79.8 | 172.2 | 0 | 0 | 0 | 112 | Y846 V849 Q850 V853 F868 N869 D875 M876 | Y846-L872 HydrophobicContact CD2-CD2 4.16Å; Y846-L872 HydrophobicContact CE2-CD2 3.81Å; V849-L872 HydrophobicContact CB-CD2 4.32Å; V849-L872 HydrophobicContact CG1-CD2 3.74Å; V849-L872 HydrophobicContact CG1-CG 3.9Å; Q850-L872 HydrophobicContact CB-CD2 4.49Å; V853-L872 HydrophobicContact CG2-CD1 4.11Å; F868-L872 WeakPolarHBondContact O-CB 3.48Å; F868-L872 VanDerWaalsContact O-CG 3.3Å; F868-L872 WeakPolarHBondContact O-CG 3.38Å; F868-L872 PolarHBondContact O-N 3.03Å; N869-L872 PolarHBondContact O-N 3.34Å; L872-D875 PolarHBondContact O-N 2.97Å; L872-M876 VanDerWaalsContact O-CB 3.26Å; L872-M876 WeakPolarHBondContact O-CB 3.47Å; L872-M876 PolarHBondContact O-N 3.34Å |
| 873 | E | 89.7 | Confident | 85.4 | Confident | 125 Ų | 125 | 74.2 Ų | 74.2 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 177.6 | -172.8 | 176.9 | 177.6 | 0 | 0 | 111.1 | N869 M876 N877 | N869-E873 WeakPolarHBondContact O-CB 3.47Å; N869-E873 PolarHBondContact O-N 3.44Å; E873-M876 PolarHBondContact O-N 3.5Å; E873-N877 WeakPolarHBondContact O-CB 3.38Å; E873-N877 VanDerWaalsContact O-CG 3.28Å; E873-N877 PolarHBondContact O-N 3.09Å; E873-N877 PolarHBondContact O-ND2 2.98Å |
| 874 | R | 90.7 | Very high | 86.4 | Confident | 141 Ų | 141 | 75.4 Ų | 75.4 | 53% | 0.532 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.4 | -172.9 | -175.4 | 72.6 | 170.9 | 3 | 111.9 | E870 L871 M876 N877 N878 | E870-R874 WeakPolarHBondContact O-CB 3.42Å; E870-R874 PolarHBondContact O-N 2.91Å; L871-R874 PolarHBondContact O-N 3.34Å; R874-M876 VanDerWaalsContact C-N 3.35Å; R874-N877 PolarHBondContact O-N 3.42Å; R874-N878 WeakPolarHBondContact O-CB 3.36Å; R874-N878 PolarHBondContact O-N 3.07Å; R874-N878 PolarHBondContact O-ND2 2.95Å |
| 875 | D | 90.3 | Very high | 87.2 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 6% | 0.064 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.4 | -39 | 179.9 | -73.5 | -6.7 | 0 | 0 | 0 | 111.5 | H845 Y846 L871 L872 N878 L879 | H845-D875 IonicContact CE1-OD1 3.46Å; H845-D875 IonicContact CE1-OD2 3.78Å; H845-D875 PolarHBondContact CE1-OD2 3.39Å; H845-D875 IonicContact CG-OD2 3.47Å; H845-D875 IonicContact ND1-OD1 3.69Å; H845-D875 IonicContact ND1-OD2 3.54Å; H845-D875 PolarHBondContact ND1-OD2 3.5Å; Y846-D875 HydrophobicContact CD2-CB 3.8Å; L871-D875 WeakPolarHBondContact O-CB 3.44Å; L871-D875 PolarHBondContact O-N 2.94Å; L872-D875 PolarHBondContact O-N 2.97Å; D875-N878 PolarHBondContact O-N 3.18Å; D875-L879 WeakPolarHBondContact O-CB 3.42Å; D875-L879 VanDerWaalsContact O-CG 3.32Å; D875-L879 WeakPolarHBondContact O-CG 3.42Å; D875-L879 PolarHBondContact O-N 3.46Å |
| 876 | M | 91 | Very high | 87.6 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 49% | 0.493 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 173.8 | -177.6 | 177.7 | 172.8 | 0 | 0 | 111.6 | Y846 L872 E873 R874 N878 L879 M880 | Y846-M876 HydrophobicContact CE2-CB 4.25Å; L872-M876 VanDerWaalsContact O-CB 3.26Å; L872-M876 WeakPolarHBondContact O-CB 3.47Å; L872-M876 PolarHBondContact O-N 3.34Å; E873-M876 PolarHBondContact O-N 3.5Å; R874-M876 VanDerWaalsContact C-N 3.35Å; M876-N878 VanDerWaalsContact C-N 3.3Å; M876-N878 PolarHBondContact O-N 3.47Å; M876-L879 WeakPolarHBondContact O-CB 3.38Å; M876-L879 PolarHBondContact O-N 3.34Å; M876-L879 VanDerWaalsContact O-N 3.17Å; M876-M880 WeakPolarHBondContact O-CG 3.43Å; M876-M880 PolarHBondContact O-N 2.7Å |
| 877 | N | 91.8 | Very high | 87.9 | Confident | 84 Ų | 84 | 69.3 Ų | 69.3 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 176.8 | -72.8 | -25.7 | 0 | 0 | 0 | 111.8 | E873 R874 M880 T881 | E873-N877 WeakPolarHBondContact O-CB 3.38Å; E873-N877 VanDerWaalsContact O-CG 3.28Å; E873-N877 PolarHBondContact O-N 3.09Å; E873-N877 PolarHBondContact O-ND2 2.98Å; R874-N877 PolarHBondContact O-N 3.42Å; N877-M880 PolarHBondContact O-N 2.9Å; N877-T881 WeakPolarHBondContact O-CB 3.25Å; N877-T881 VanDerWaalsContact O-CG2 3.26Å; N877-T881 WeakPolarHBondContact O-CG2 3.47Å; N877-T881 PolarHBondContact O-N 3.07Å; N877-T881 PolarHBondContact O-OG1 3.47Å |
| 878 | N | 90.3 | Very high | 88.1 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 174.8 | -74.4 | -22.4 | 0 | 0 | 0 | 112.7 | R874 D875 M876 T881 T882 | R874-N878 WeakPolarHBondContact O-CB 3.36Å; R874-N878 PolarHBondContact O-N 3.07Å; R874-N878 PolarHBondContact O-ND2 2.95Å; D875-N878 PolarHBondContact O-N 3.18Å; M876-N878 VanDerWaalsContact C-N 3.3Å; M876-N878 PolarHBondContact O-N 3.47Å; N878-T881 WeakPolarHBondContact CA-OG1 3.14Å; N878-T881 PolarHBondContact O-OG1 3.24Å; N878-T882 WeakPolarHBondContact O-CB 3.48Å; N878-T882 PolarHBondContact O-N 3.36Å; N878-T882 VanDerWaalsContact O-N 3.14Å; N878-T882 PolarHBondContact O-OG1 3.26Å |
| 879 | L | 90.6 | Very high | 88.1 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.5 | -49.8 | 175.2 | -77.3 | 170.8 | 0 | 0 | 0 | 111 | L839 Q842 A843 Y846 D875 M876 T881 T882 C883 | L839-L879 HydrophobicContact CD1-CD2 3.65Å; L839-L879 HydrophobicContact CG-CD2 4.47Å; Q842-L879 HydrophobicContact CB-CD2 3.72Å; Q842-L879 HydrophobicContact CB-CG 4.37Å; A843-L879 HydrophobicContact CB-CD2 4.1Å; Y846-L879 HydrophobicContact CD1-CD1 4.25Å; Y846-L879 HydrophobicContact CD2-CD1 4.14Å; Y846-L879 HydrophobicContact CG-CD1 3.78Å; D875-L879 WeakPolarHBondContact O-CB 3.42Å; D875-L879 VanDerWaalsContact O-CG 3.32Å; D875-L879 WeakPolarHBondContact O-CG 3.42Å; D875-L879 PolarHBondContact O-N 3.46Å; M876-L879 WeakPolarHBondContact O-CB 3.38Å; M876-L879 PolarHBondContact O-N 3.34Å; M876-L879 VanDerWaalsContact O-N 3.17Å; L879-T881 PolarHBondContact O-N 2.81Å; L879-T882 PolarHBondContact O-N 3.45Å; L879-T882 VanDerWaalsContact O-N 3.16Å; L879-C883 PolarHBondContact O-N 2.79Å; L879-C883 PolarHBondContact O-SG 2.91Å |
| 880 | M | 88.8 | Confident | 88.1 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 179.8 | -67.6 | -56.1 | -59.9 | 0 | 0 | 111.7 | M876 N877 T882 C883 D884 | M876-M880 WeakPolarHBondContact O-CG 3.43Å; M876-M880 PolarHBondContact O-N 2.7Å; N877-M880 PolarHBondContact O-N 2.9Å; M880-T882 PolarHBondContact O-N 3.5Å; M880-C883 WeakPolarHBondContact O-CB 3.3Å; M880-C883 PolarHBondContact O-N 3.43Å; M880-C883 VanDerWaalsContact O-N 3.11Å; M880-D884 VanDerWaalsContact O-CG 3.3Å; M880-D884 PolarHBondContact O-N 2.95Å |
| 881 | T | 90.7 | Very high | 87.7 | Confident | 80 Ų | 80 | 62 Ų | 62 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -32.5 | 177.2 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | N877 N878 L879 L885 | N877-T881 WeakPolarHBondContact O-CB 3.25Å; N877-T881 VanDerWaalsContact O-CG2 3.26Å; N877-T881 WeakPolarHBondContact O-CG2 3.47Å; N877-T881 PolarHBondContact O-N 3.07Å; N877-T881 PolarHBondContact O-OG1 3.47Å; N878-T881 WeakPolarHBondContact CA-OG1 3.14Å; N878-T881 PolarHBondContact O-OG1 3.24Å; L879-T881 PolarHBondContact O-N 2.81Å; T881-L885 WeakPolarHBondContact O-CB 3.36Å; T881-L885 PolarHBondContact O-N 3.44Å |
| 882 | T | 89.4 | Confident | 87.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -75.9 | -36.3 | 175.6 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | L839 Q842 N878 L879 M880 L885 L886 | L839-T882 HydrophobicContact CB-CG2 3.95Å; L839-T882 HydrophobicContact CD1-CG2 3.98Å; Q842-T882 PolarHBondContact OE1-OG1 2.93Å; N878-T882 WeakPolarHBondContact O-CB 3.48Å; N878-T882 PolarHBondContact O-N 3.36Å; N878-T882 VanDerWaalsContact O-N 3.14Å; N878-T882 PolarHBondContact O-OG1 3.26Å; L879-T882 PolarHBondContact O-N 3.45Å; L879-T882 VanDerWaalsContact O-N 3.16Å; M880-T882 PolarHBondContact O-N 3.5Å; T882-L885 PolarHBondContact O-N 2.86Å; T882-L886 HydrophobicContact CG2-CD1 4.24Å; T882-L886 WeakPolarHBondContact O-CB 2.84Å; T882-L886 VanDerWaalsContact O-CG 3.28Å; T882-L886 WeakPolarHBondContact O-CG 3.2Å; T882-L886 PolarHBondContact O-N 3.49Å |
| 883 | C | 88.7 | Confident | 87 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 172.6 | -69 | 0 | 0 | 0 | 0 | 112 | L879 M880 L885 L886 D887 | L879-C883 PolarHBondContact O-N 2.79Å; L879-C883 PolarHBondContact O-SG 2.91Å; M880-C883 WeakPolarHBondContact O-CB 3.3Å; M880-C883 PolarHBondContact O-N 3.43Å; M880-C883 VanDerWaalsContact O-N 3.11Å; C883-L885 VanDerWaalsContact C-N 3.25Å; C883-L885 PolarHBondContact O-N 3.1Å; C883-L886 WeakPolarHBondContact O-CB 3.12Å; C883-L886 PolarHBondContact O-N 3.42Å; C883-L886 VanDerWaalsContact O-N 3.08Å; C883-D887 PolarHBondContact O-N 2.79Å |
| 884 | D | 87.1 | Confident | 86.5 | Confident | 100 Ų | 100 | 56 Ų | 56 | 54% | 0.535 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 177.3 | -65.1 | -23.5 | 0 | 0 | 0 | 111.2 | M880 L888 | M880-D884 VanDerWaalsContact O-CG 3.3Å; M880-D884 PolarHBondContact O-N 2.95Å; D884-L888 PolarHBondContact O-N 3.49Å |
| 885 | L | 88.8 | Confident | 86 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 175.6 | -173.8 | 152.6 | 0 | 0 | 0 | 111.8 | Q835 T881 T882 C883 L888 L889 | Q835-L885 HydrophobicContact CB-CD2 4.26Å; Q835-L885 HydrophobicContact CG-CD2 3.52Å; T881-L885 WeakPolarHBondContact O-CB 3.36Å; T881-L885 PolarHBondContact O-N 3.44Å; T882-L885 PolarHBondContact O-N 2.86Å; C883-L885 VanDerWaalsContact C-N 3.25Å; C883-L885 PolarHBondContact O-N 3.1Å; L885-L888 PolarHBondContact O-N 3.03Å; L885-L889 HydrophobicContact CD2-CD1 3.4Å; L885-L889 VanDerWaalsContact CD2-CD1 3.4Å; L885-L889 HydrophobicContact CD2-CG 3.89Å; L885-L889 WeakPolarHBondContact O-CG 3.45Å; L885-L889 PolarHBondContact O-N 3.15Å |
| 886 | L | 85.5 | Confident | 85.5 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.6 | -83 | 166.4 | 0 | 0 | 0 | 112.1 | Q835 I836 L839 T882 C883 L888 L889 T890 | Q835-L886 HydrophobicContact CB-CD2 3.67Å; Q835-L886 HydrophobicContact CB-CG 4.14Å; I836-L886 HydrophobicContact CG1-CD2 3.67Å; L839-L886 HydrophobicContact CB-CD1 4.03Å; L839-L886 HydrophobicContact CD1-CD1 4.45Å; L839-L886 HydrophobicContact CD2-CD1 3.58Å; L839-L886 HydrophobicContact CG-CD1 4.21Å; T882-L886 HydrophobicContact CG2-CD1 4.24Å; T882-L886 WeakPolarHBondContact O-CB 2.84Å; T882-L886 VanDerWaalsContact O-CG 3.28Å; T882-L886 WeakPolarHBondContact O-CG 3.2Å; T882-L886 PolarHBondContact O-N 3.49Å; C883-L886 WeakPolarHBondContact O-CB 3.12Å; C883-L886 PolarHBondContact O-N 3.42Å; C883-L886 VanDerWaalsContact O-N 3.08Å; L886-L888 VanDerWaalsContact C-N 3.34Å; L886-L889 PolarHBondContact O-N 2.71Å; L886-T890 VanDerWaalsContact O-CB 3.26Å; L886-T890 WeakPolarHBondContact O-CB 3.41Å; L886-T890 PolarHBondContact O-N 3.34Å; L886-T890 PolarHBondContact O-OG1 3.22Å |
| 887 | D | 80.9 | Confident | 84.9 | Confident | 79 Ų | 79 | 48.8 Ų | 48.8 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.1 | -79 | -16.8 | 0 | 0 | 0 | 111 | C883 T890 Q891 | C883-D887 PolarHBondContact O-N 2.79Å; D887-T890 PolarHBondContact O-N 3.36Å; D887-Q891 WeakPolarHBondContact O-CG 3.16Å; D887-Q891 PolarHBondContact O-N 3.19Å |
| 888 | L | 84.4 | Confident | 84.3 | Confident | 92 Ų | 92 | 45.1 Ų | 45.1 | 48% | 0.482 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.2 | -173.8 | 141.4 | 0 | 0 | 0 | 111.9 | D884 L885 L886 T890 Q891 E892 | D884-L888 PolarHBondContact O-N 3.49Å; L885-L888 PolarHBondContact O-N 3.03Å; L886-L888 VanDerWaalsContact C-N 3.34Å; L888-T890 VanDerWaalsContact C-N 3.32Å; L888-T890 PolarHBondContact O-N 3.19Å; L888-Q891 WeakPolarHBondContact O-CB 3.38Å; L888-Q891 PolarHBondContact O-N 2.82Å; L888-E892 HydrophobicContact CD2-CG 4.43Å; L888-E892 WeakPolarHBondContact O-CG 3.23Å; L888-E892 PolarHBondContact O-N 3.45Å |
| 889 | L | 84.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -35.4 | 176.7 | -73.6 | -178.4 | 0 | 0 | 0 | 112.7 | E831 L832 Q835 L885 L886 Q891 E892 Y893 | E831-L889 HydrophobicContact CB-CD1 4.44Å; E831-L889 HydrophobicContact CB-CD2 4.48Å; E831-L889 VanDerWaalsContact CD-CD2 3.43Å; E831-L889 HydrophobicContact CG-CD1 3.83Å; E831-L889 HydrophobicContact CG-CD2 3.89Å; E831-L889 WeakPolarHBondContact OE2-CD2 3.38Å; L832-L889 HydrophobicContact CD1-CB 4.04Å; Q835-L889 HydrophobicContact CB-CD1 4.27Å; Q835-L889 HydrophobicContact CG-CD1 3.64Å; L885-L889 HydrophobicContact CD2-CD1 3.4Å; L885-L889 VanDerWaalsContact CD2-CD1 3.4Å; L885-L889 HydrophobicContact CD2-CG 3.89Å; L885-L889 WeakPolarHBondContact O-CG 3.45Å; L885-L889 PolarHBondContact O-N 3.15Å; L886-L889 PolarHBondContact O-N 2.71Å; L889-Q891 VanDerWaalsContact C-N 3.34Å; L889-E892 PolarHBondContact O-N 2.8Å; L889-Y893 VanDerWaalsContact O-CB 3.23Å; L889-Y893 WeakPolarHBondContact O-CB 3.46Å; L889-Y893 PolarHBondContact O-N 2.76Å |
| 890 | T | 81.7 | Confident | 83.4 | Confident | 19 Ų | 19 | 42 Ų | 42 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | L585 L832 L886 D887 L888 Y893 F894 L951 | L585-T890 HydrophobicContact CD2-CG2 3.62Å; L832-T890 WeakPolarHBondContact CD1-OG1 3.43Å; L886-T890 VanDerWaalsContact O-CB 3.26Å; L886-T890 WeakPolarHBondContact O-CB 3.41Å; L886-T890 PolarHBondContact O-N 3.34Å; L886-T890 PolarHBondContact O-OG1 3.22Å; D887-T890 PolarHBondContact O-N 3.36Å; L888-T890 VanDerWaalsContact C-N 3.32Å; L888-T890 PolarHBondContact O-N 3.19Å; T890-Y893 WeakPolarHBondContact O-CB 3.15Å; T890-Y893 PolarHBondContact O-N 3.16Å; T890-F894 HydrophobicContact CG2-CD2 3.75Å; T890-F894 HydrophobicContact CG2-CE2 3.55Å; T890-F894 WeakPolarHBondContact O-CD2 3.32Å; T890-F894 PolarHBondContact O-N 3.45Å; T890-L951 HydrophobicContact CG2-CD2 4.1Å |
| 891 | Q | 78.3 | Confident | 82.9 | Confident | 65 Ų | 65 | 37.8 Ų | 37.8 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 173.9 | -70.7 | 172.8 | 16.6 | 0 | 0 | 111.9 | S584 D887 L888 L889 F894 Q895 | S584-Q891 PolarHBondContact O-NE2 3.36Å; D887-Q891 WeakPolarHBondContact O-CG 3.16Å; D887-Q891 PolarHBondContact O-N 3.19Å; L888-Q891 WeakPolarHBondContact O-CB 3.38Å; L888-Q891 PolarHBondContact O-N 2.82Å; L889-Q891 VanDerWaalsContact C-N 3.34Å; Q891-F894 PolarHBondContact O-N 3.32Å; Q891-Q895 WeakPolarHBondContact O-CB 3.37Å; Q891-Q895 PolarHBondContact O-N 3.47Å |
| 892 | E | 82.3 | Confident | 82.5 | Confident | 66 Ų | 66 | 34 Ų | 34 | 31% | 0.308 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 177.8 | -68.1 | -177.1 | 165.9 | 0 | 0 | 112.6 | K828 L888 L889 Q895 S896 | K828-E892 HydrophobicContact CD-CB 3.97Å; K828-E892 WeakPolarHBondContact CD-OE2 3.11Å; K828-E892 WeakPolarHBondContact CE-OE2 3.35Å; K828-E892 IonicContact NZ-OE2 2.68Å; K828-E892 PolarHBondContact NZ-OE2 2.84Å; L888-E892 HydrophobicContact CD2-CG 4.43Å; L888-E892 WeakPolarHBondContact O-CG 3.23Å; L888-E892 PolarHBondContact O-N 3.45Å; L889-E892 PolarHBondContact O-N 2.8Å; E892-Q895 PolarHBondContact O-N 2.97Å; E892-S896 WeakPolarHBondContact O-CB 3.02Å; E892-S896 PolarHBondContact O-N 3.42Å; E892-S896 PolarHBondContact O-OG 3.26Å |
| 893 | Y | 81.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -54.4 | 173.4 | 168.9 | -98.6 | 0 | 0 | 0 | 110.5 | H825 R829 L889 T890 Q895 S896 G897 L947 T950 L951 | H825-Y893 AromaticContact CE1-CE2 3.66Å; H825-Y893 AromaticContact NE2-CD2 3.89Å; H825-Y893 AromaticContact NE2-CE2 3.34Å; H825-Y893 VanDerWaalsContact NE2-CE2 3.34Å; H825-Y893 WeakPolarHBondContact NE2-CE2 3.28Å; H825-Y893 AromaticContact NE2-CZ 3.73Å; R829-Y893 HydrophobicContact CB-CD2 4.2Å; R829-Y893 HydrophobicContact CB-CE2 3.99Å; R829-Y893 HydrophobicContact CG-CE2 4.14Å; L889-Y893 VanDerWaalsContact O-CB 3.23Å; L889-Y893 WeakPolarHBondContact O-CB 3.46Å; L889-Y893 PolarHBondContact O-N 2.76Å; T890-Y893 WeakPolarHBondContact O-CB 3.15Å; T890-Y893 PolarHBondContact O-N 3.16Å; Y893-Q895 PolarHBondContact O-N 3.45Å; Y893-S896 PolarHBondContact O-N 2.72Å; Y893-S896 PolarHBondContact O-OG 2.89Å; Y893-G897 PolarHBondContact O-N 2.84Å; Y893-L947 HydrophobicContact CE1-CD2 3.83Å; Y893-L947 HydrophobicContact CE1-CG 4.37Å; Y893-T950 PolarHBondContact OH-OG1 3.41Å; Y893-L951 HydrophobicContact CE1-CB 4.49Å; Y893-L951 HydrophobicContact CE1-CD1 4.44Å |
| 894 | F | 79.1 | Confident | 81.6 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 176.6 | -83.8 | -64.5 | 0 | 0 | 0 | 111.4 | T890 Q891 S896 G897 Y898 L947 H948 L951 | T890-F894 HydrophobicContact CG2-CD2 3.75Å; T890-F894 HydrophobicContact CG2-CE2 3.55Å; T890-F894 WeakPolarHBondContact O-CD2 3.32Å; T890-F894 PolarHBondContact O-N 3.45Å; Q891-F894 PolarHBondContact O-N 3.32Å; F894-S896 PolarHBondContact O-N 3.33Å; F894-G897 CarbonylContact O-C 3.56Å; F894-G897 WeakPolarHBondContact O-CA 3.34Å; F894-G897 PolarHBondContact O-N 3.35Å; F894-Y898 HydrophobicContact CB-CD2 4.38Å; F894-Y898 HydrophobicContact CB-CE2 3.98Å; F894-Y898 HydrophobicContact CD1-CE2 4.42Å; F894-Y898 WeakPolarHBondContact O-CD2 3.21Å; F894-Y898 PolarHBondContact O-N 2.82Å; F894-L947 HydrophobicContact CD1-CD2 3.26Å; F894-L947 HydrophobicContact CE1-CD2 3.25Å; F894-L947 HydrophobicContact CG-CD2 4.39Å; F894-L947 HydrophobicContact CZ-CD2 4.39Å; F894-H948 AromaticContact CE1-CE1 3.22Å; F894-H948 WeakPolarHBondContact CE1-CE1 3.18Å; F894-H948 AromaticContact CE1-ND1 3.21Å; F894-H948 WeakPolarHBondContact CE1-ND1 3.27Å; F894-H948 AromaticContact CZ-CE1 3.64Å; F894-H948 AromaticContact CZ-ND1 3.37Å; F894-H948 WeakPolarHBondContact CZ-ND1 3.42Å; F894-L951 HydrophobicContact CE2-CD2 3.73Å; F894-L951 HydrophobicContact CZ-CD2 3.69Å |
| 895 | Q | 79.2 | Confident | 81 | Confident | 94 Ų | 94 | 27 Ų | 27 | 44% | 0.439 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 179.9 | -175.1 | 178.6 | -13.1 | 0 | 0 | 112.4 | Q891 E892 Y893 G897 Y898 S899 | Q891-Q895 WeakPolarHBondContact O-CB 3.37Å; Q891-Q895 PolarHBondContact O-N 3.47Å; E892-Q895 PolarHBondContact O-N 2.97Å; Y893-Q895 PolarHBondContact O-N 3.45Å; Q895-G897 VanDerWaalsContact C-N 3.3Å; Q895-G897 PolarHBondContact O-N 2.88Å; Q895-Y898 PolarHBondContact O-N 3.08Å; Q895-S899 PolarHBondContact O-N 2.83Å |
| 896 | S | 80.7 | Confident | 80.8 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 6% | 0.056 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.7 | 69.2 | 0 | 0 | 0 | 0 | 112 | H825 E892 Y893 F894 S899 V900 | H825-S896 WeakPolarHBondContact CA-OG 3.3Å; H825-S896 PolarHBondContact CD2-OG 3.01Å; H825-S896 VanDerWaalsContact CD2-OG 3.28Å; E892-S896 WeakPolarHBondContact O-CB 3.02Å; E892-S896 PolarHBondContact O-N 3.42Å; E892-S896 PolarHBondContact O-OG 3.26Å; Y893-S896 PolarHBondContact O-N 2.72Å; Y893-S896 PolarHBondContact O-OG 2.89Å; F894-S896 PolarHBondContact O-N 3.33Å; S896-S899 PolarHBondContact O-N 3.39Å; S896-V900 WeakPolarHBondContact O-CG2 3.46Å; S896-V900 PolarHBondContact O-N 2.84Å; S896-V900 VanDerWaalsContact O-N 3.11Å |
| 897 | G | 78.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H825 Y893 F894 Q895 S899 V900 I901 | H825-G897 VanDerWaalsContact CD2-CA 3.48Å; H825-G897 WeakPolarHBondContact CD2-CA 3.12Å; H825-G897 PolarHBondContact CD2-N 3.17Å; Y893-G897 PolarHBondContact O-N 2.84Å; F894-G897 CarbonylContact O-C 3.56Å; F894-G897 WeakPolarHBondContact O-CA 3.34Å; F894-G897 PolarHBondContact O-N 3.35Å; Q895-G897 VanDerWaalsContact C-N 3.3Å; Q895-G897 PolarHBondContact O-N 2.88Å; G897-S899 VanDerWaalsContact C-N 3.31Å; G897-S899 PolarHBondContact O-N 3.22Å; G897-V900 PolarHBondContact O-N 3.48Å; G897-I901 VanDerWaalsContact O-CG1 3.31Å; G897-I901 WeakPolarHBondContact O-CG1 3.37Å; G897-I901 PolarHBondContact O-N 2.85Å |
| 898 | Y | 79.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 19.6 Ų | 19.6 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 174.5 | -75.3 | -71.3 | 0 | 0 | 0 | 112 | Q589 L592 F894 Q895 I901 S902 L944 | Q589-Y898 HydrophobicContact CG-CD2 3.92Å; Q589-Y898 HydrophobicContact CG-CE2 3.72Å; Q589-Y898 PolarHBondContact NE2-OH 2.63Å; Q589-Y898 PolarHBondContact OE1-OH 3.18Å; L592-Y898 HydrophobicContact CD1-CD1 3.56Å; L592-Y898 HydrophobicContact CD1-CE1 4.16Å; L592-Y898 HydrophobicContact CG-CD1 4.18Å; F894-Y898 HydrophobicContact CB-CD2 4.38Å; F894-Y898 HydrophobicContact CB-CE2 3.98Å; F894-Y898 HydrophobicContact CD1-CE2 4.42Å; F894-Y898 WeakPolarHBondContact O-CD2 3.21Å; F894-Y898 PolarHBondContact O-N 2.82Å; Q895-Y898 PolarHBondContact O-N 3.08Å; Y898-I901 PolarHBondContact O-N 3.45Å; Y898-S902 WeakPolarHBondContact O-CB 3.37Å; Y898-S902 PolarHBondContact O-N 2.96Å; Y898-L944 HydrophobicContact CD1-CD1 4.06Å; Y898-L944 HydrophobicContact CE1-CD1 3.3Å; Y898-L944 HydrophobicContact CE1-CD2 4.07Å; Y898-L944 HydrophobicContact CE1-CG 4.34Å |
| 899 | S | 80.1 | Confident | 79.4 | Confident | 17 Ų | 17 | 15.4 Ų | 15.4 | 12% | 0.119 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 176.4 | -64.8 | 0 | 0 | 0 | 0 | 112 | Q895 S896 G897 S902 L903 | Q895-S899 PolarHBondContact O-N 2.83Å; S896-S899 PolarHBondContact O-N 3.39Å; G897-S899 VanDerWaalsContact C-N 3.31Å; G897-S899 PolarHBondContact O-N 3.22Å; S899-S902 PolarHBondContact O-N 2.96Å; S899-L903 WeakPolarHBondContact O-CG 3.47Å; S899-L903 PolarHBondContact O-N 2.85Å |
| 900 | V | 81.3 | Confident | 78.9 | Confident | 7 Ų | 7 | 15.2 Ų | 15.2 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.7 | -50.1 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | L822 H825 S896 G897 S902 L903 V904 F1039 | L822-V900 HydrophobicContact CD2-CG1 3.64Å; L822-V900 HydrophobicContact CD2-CG2 4.21Å; L822-V900 HydrophobicContact CG-CG1 4.38Å; L822-V900 HydrophobicContact CG-CG2 4.42Å; H825-V900 HydrophobicContact CB-CG2 4.18Å; S896-V900 WeakPolarHBondContact O-CG2 3.46Å; S896-V900 PolarHBondContact O-N 2.84Å; S896-V900 VanDerWaalsContact O-N 3.11Å; G897-V900 PolarHBondContact O-N 3.48Å; V900-S902 VanDerWaalsContact C-N 3.34Å; V900-S902 PolarHBondContact O-N 3.48Å; V900-L903 PolarHBondContact O-N 2.93Å; V900-V904 HydrophobicContact CG1-CG2 4.13Å; V900-V904 WeakPolarHBondContact O-CB 3.33Å; V900-V904 WeakPolarHBondContact O-CG2 3.02Å; V900-V904 PolarHBondContact O-N 2.97Å; V900-F1039 HydrophobicContact CG1-CE1 4.19Å; V900-F1039 HydrophobicContact CG1-CZ 4.05Å; V900-F1039 HydrophobicContact CG2-CZ 4.45Å |
| 901 | I | 78.8 | Confident | 78.3 | Confident | 9 Ų | 9 | 16.1 Ų | 16.1 | 5% | 0.046 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.3 | -46.4 | 179.3 | -67.6 | 169 | 0 | 0 | 0 | 110.6 | L592 G897 Y898 L903 V904 I905 L943 L944 L947 | L592-I901 HydrophobicContact CD1-CB 4.12Å; L592-I901 HydrophobicContact CD1-CG2 3.61Å; L592-I901 HydrophobicContact CD2-CG2 4.47Å; G897-I901 VanDerWaalsContact O-CG1 3.31Å; G897-I901 WeakPolarHBondContact O-CG1 3.37Å; G897-I901 PolarHBondContact O-N 2.85Å; Y898-I901 PolarHBondContact O-N 3.45Å; I901-L903 PolarHBondContact O-N 2.88Å; I901-V904 PolarHBondContact O-N 2.83Å; I901-I905 HydrophobicContact CG2-CD1 3.54Å; I901-I905 HydrophobicContact CG2-CG1 4.37Å; I901-I905 VanDerWaalsContact O-CD1 3.3Å; I901-I905 WeakPolarHBondContact O-CD1 3.49Å; I901-I905 VanDerWaalsContact O-CG1 3.23Å; I901-I905 WeakPolarHBondContact O-CG1 3.33Å; I901-I905 PolarHBondContact O-N 3.27Å; I901-L943 HydrophobicContact CD1-CB 4.2Å; I901-L943 HydrophobicContact CG1-CB 4.13Å; I901-L943 HydrophobicContact CG2-CB 4.06Å; I901-L943 HydrophobicContact CG2-CD1 3.99Å; I901-L944 HydrophobicContact CD1-CD1 4.21Å; I901-L947 HydrophobicContact CD1-CB 4.44Å; I901-L947 HydrophobicContact CD1-CD1 3.91Å |
| 902 | S | 82.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 178.3 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | E748 Y898 S899 V900 I905 L906 | E748-S902 PolarHBondContact O-OG 3.04Å; Y898-S902 WeakPolarHBondContact O-CB 3.37Å; Y898-S902 PolarHBondContact O-N 2.96Å; S899-S902 PolarHBondContact O-N 2.96Å; V900-S902 VanDerWaalsContact C-N 3.34Å; V900-S902 PolarHBondContact O-N 3.48Å; S902-I905 PolarHBondContact O-N 2.95Å; S902-L906 VanDerWaalsContact O-CB 3.27Å; S902-L906 WeakPolarHBondContact O-CB 3.43Å; S902-L906 PolarHBondContact O-N 3.14Å |
| 903 | L | 81.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.5 | -37.6 | 178.8 | -71.2 | 173.1 | 0 | 0 | 0 | 112.2 | P747 E748 K817 L818 S899 V900 I901 L906 L907 | P747-L903 HydrophobicContact CB-CD2 4.03Å; P747-L903 HydrophobicContact CG-CD2 4.05Å; E748-L903 HydrophobicContact CB-CG 4.5Å; K817-L903 HydrophobicContact CG-CD1 4.23Å; L818-L903 HydrophobicContact CB-CD1 4.47Å; L818-L903 HydrophobicContact CD1-CB 3.67Å; L818-L903 HydrophobicContact CD1-CD1 4.4Å; S899-L903 WeakPolarHBondContact O-CG 3.47Å; S899-L903 PolarHBondContact O-N 2.85Å; V900-L903 PolarHBondContact O-N 2.93Å; I901-L903 PolarHBondContact O-N 2.88Å; L903-L906 HydrophobicContact CD2-CD2 4.34Å; L903-L906 PolarHBondContact O-N 3.06Å; L903-L907 WeakPolarHBondContact O-CB 3.15Å; L903-L907 WeakPolarHBondContact O-CG 3.25Å; L903-L907 PolarHBondContact O-N 3.01Å |
| 904 | V | 76.8 | Confident | 76.2 | Confident | 6 Ų | 6 | 15.3 Ų | 15.3 | 4% | 0.036 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.9 | 161.9 | 0 | 0 | 0 | 0 | 110.3 | L818 V900 I901 S908 F938 L943 F1032 | L818-V904 HydrophobicContact CD1-CG2 3.92Å; V900-V904 HydrophobicContact CG1-CG2 4.13Å; V900-V904 WeakPolarHBondContact O-CB 3.33Å; V900-V904 WeakPolarHBondContact O-CG2 3.02Å; V900-V904 PolarHBondContact O-N 2.97Å; I901-V904 PolarHBondContact O-N 2.83Å; V904-S908 VanDerWaalsContact O-CB 3.22Å; V904-S908 WeakPolarHBondContact O-CB 3.5Å; V904-S908 PolarHBondContact O-N 2.8Å; V904-F938 HydrophobicContact CG1-CD1 4.28Å; V904-F938 HydrophobicContact CG1-CE1 4.49Å; V904-L943 HydrophobicContact CG1-CD1 4.26Å; V904-F1032 HydrophobicContact CB-CZ 3.92Å; V904-F1032 HydrophobicContact CG1-CE1 3.62Å; V904-F1032 HydrophobicContact CG1-CZ 3.49Å; V904-F1032 VanDerWaalsContact CG1-CZ 3.49Å; V904-F1032 HydrophobicContact CG2-CZ 4.05Å; V904-F1032 WeakPolarHBondContact O-CZ 3.47Å |
| 905 | I | 76.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.7 | -63.1 | 156.1 | 0 | 0 | 0 | 110.7 | W751 I901 S902 S908 F909 F935 P940 L943 | W751-I905 HydrophobicContact CD2-CB 4.39Å; W751-I905 HydrophobicContact CD2-CG2 3.54Å; W751-I905 HydrophobicContact CE3-CG2 3.77Å; W751-I905 HydrophobicContact CG-CG2 4.23Å; W751-I905 HydrophobicContact CH2-CG2 3.61Å; W751-I905 HydrophobicContact CZ2-CG2 3.39Å; W751-I905 HydrophobicContact CZ3-CG2 3.81Å; I901-I905 HydrophobicContact CG2-CD1 3.54Å; I901-I905 HydrophobicContact CG2-CG1 4.37Å; I901-I905 VanDerWaalsContact O-CD1 3.3Å; I901-I905 WeakPolarHBondContact O-CD1 3.49Å; I901-I905 VanDerWaalsContact O-CG1 3.23Å; I901-I905 WeakPolarHBondContact O-CG1 3.33Å; I901-I905 PolarHBondContact O-N 3.27Å; S902-I905 PolarHBondContact O-N 2.95Å; I905-S908 PolarHBondContact O-N 3Å; I905-F909 WeakPolarHBondContact O-CB 3.49Å; I905-F909 PolarHBondContact O-N 2.84Å; I905-F935 HydrophobicContact CG2-CE1 4.12Å; I905-F935 HydrophobicContact CG2-CZ 4.41Å; I905-P940 HydrophobicContact CD1-CB 3.83Å; I905-P940 HydrophobicContact CD1-CG 3.67Å; I905-L943 HydrophobicContact CD1-CD1 4.5Å; I905-L943 HydrophobicContact CG1-CD1 4.14Å |
| 906 | L | 83.1 | Confident | 74.3 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 177.7 | 178.6 | 67.8 | 0 | 0 | 0 | 112 | L667 F750 W751 L754 L814 S902 L903 F909 I910 | L667-L906 HydrophobicContact CD1-CD1 4.32Å; L667-L906 HydrophobicContact CD1-CD2 4.4Å; F750-L906 HydrophobicContact CB-CD1 4.08Å; F750-L906 HydrophobicContact CB-CD2 4.06Å; F750-L906 HydrophobicContact CD2-CD2 4.2Å; W751-L906 HydrophobicContact CB-CB 4.36Å; L754-L906 HydrophobicContact CD1-CD1 3.49Å; L754-L906 VanDerWaalsContact CD1-CD1 3.49Å; L814-L906 HydrophobicContact CD1-CD2 4.35Å; L814-L906 HydrophobicContact CD2-CD2 4.48Å; S902-L906 VanDerWaalsContact O-CB 3.27Å; S902-L906 WeakPolarHBondContact O-CB 3.43Å; S902-L906 PolarHBondContact O-N 3.14Å; L903-L906 HydrophobicContact CD2-CD2 4.34Å; L903-L906 PolarHBondContact O-N 3.06Å; L906-F909 WeakPolarHBondContact O-CB 3.44Å; L906-F909 PolarHBondContact O-N 3.44Å; L906-I910 HydrophobicContact CD1-CD1 3.97Å; L906-I910 HydrophobicContact CD1-CG1 4.46Å; L906-I910 HydrophobicContact CG-CD1 3.88Å; L906-I910 VanDerWaalsContact O-CG1 3.25Å; L906-I910 WeakPolarHBondContact O-CG1 3.21Å; L906-I910 PolarHBondContact O-N 2.8Å |
| 907 | L | 77.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | -179.8 | -76.9 | 165.3 | 0 | 0 | 0 | 111.1 | L811 L814 F815 L818 L903 F909 I910 C911 | L811-L907 HydrophobicContact CD2-CD2 4.08Å; L814-L907 HydrophobicContact CB-CD2 3.95Å; L814-L907 HydrophobicContact CD1-CD2 4.38Å; F815-L907 HydrophobicContact CD1-CD1 3.97Å; F815-L907 HydrophobicContact CD2-CD2 4.43Å; F815-L907 HydrophobicContact CE1-CD1 3.95Å; F815-L907 HydrophobicContact CE1-CD2 4.26Å; F815-L907 HydrophobicContact CE2-CD2 4.16Å; F815-L907 HydrophobicContact CZ-CD2 4.06Å; L818-L907 HydrophobicContact CB-CD1 4.15Å; L818-L907 HydrophobicContact CD2-CD1 3.76Å; L818-L907 HydrophobicContact CG-CD1 4.38Å; L903-L907 WeakPolarHBondContact O-CB 3.15Å; L903-L907 WeakPolarHBondContact O-CG 3.25Å; L903-L907 PolarHBondContact O-N 3.01Å; L907-F909 VanDerWaalsContact C-N 3.33Å; L907-F909 PolarHBondContact O-N 2.83Å; L907-I910 PolarHBondContact O-N 2.84Å; L907-C911 VanDerWaalsContact O-CB 3.27Å; L907-C911 WeakPolarHBondContact O-CB 3.49Å; L907-C911 PolarHBondContact O-N 2.91Å; L907-C911 PolarHBondContact O-SG 3.35Å |
| 908 | S | 70 | Confident | 70.4 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 173.2 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | V904 I905 I910 C911 L912 | V904-S908 VanDerWaalsContact O-CB 3.22Å; V904-S908 WeakPolarHBondContact O-CB 3.5Å; V904-S908 PolarHBondContact O-N 2.8Å; I905-S908 PolarHBondContact O-N 3Å; S908-I910 PolarHBondContact O-N 3Å; S908-C911 PolarHBondContact O-N 2.85Å; S908-L912 VanDerWaalsContact O-CB 3.3Å; S908-L912 WeakPolarHBondContact O-CB 3.34Å; S908-L912 VanDerWaalsContact O-CG 3.27Å; S908-L912 WeakPolarHBondContact O-CG 3.48Å; S908-L912 PolarHBondContact O-N 3.35Å |
| 909 | F | 74.6 | Confident | 68.3 | Low | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 176.4 | 177.1 | -99.4 | 0 | 0 | 0 | 112.8 | W751 L754 I758 I905 L906 L907 F913 C914 F931 F935 | W751-F909 HydrophobicContact CE3-CB 4.45Å; W751-F909 HydrophobicContact CZ3-CB 3.84Å; W751-F909 HydrophobicContact CZ3-CD2 4.08Å; W751-F909 AromaticContact CZ3-CG 3.89Å; W751-F909 HydrophobicContact CZ3-CG 3.89Å; L754-F909 HydrophobicContact CD1-CD1 4.14Å; L754-F909 HydrophobicContact CD1-CE1 4.21Å; I758-F909 HydrophobicContact CD1-CD2 4.13Å; I758-F909 HydrophobicContact CD1-CE1 4.47Å; I758-F909 HydrophobicContact CD1-CE2 3.37Å; I758-F909 HydrophobicContact CD1-CZ 3.58Å; I758-F909 HydrophobicContact CG1-CE2 4.23Å; I758-F909 HydrophobicContact CG1-CZ 4.11Å; I905-F909 WeakPolarHBondContact O-CB 3.49Å; I905-F909 PolarHBondContact O-N 2.84Å; L906-F909 WeakPolarHBondContact O-CB 3.44Å; L906-F909 PolarHBondContact O-N 3.44Å; L907-F909 VanDerWaalsContact C-N 3.33Å; L907-F909 PolarHBondContact O-N 2.83Å; F909-F913 HydrophobicContact CD2-CB 4.49Å; F909-F913 AromaticContact CD2-CD2 3.86Å; F909-F913 HydrophobicContact CD2-CD2 3.86Å; F909-F913 HydrophobicContact CD2-CG 4.45Å; F909-F913 HydrophobicContact CE2-CB 4.17Å; F909-F913 HydrophobicContact CE2-CD2 4.14Å; F909-F913 HydrophobicContact CE2-CG 4.29Å; F909-F913 HydrophobicContact CZ-CB 4.45Å; F909-F913 WeakPolarHBondContact O-CB 3.36Å; F909-F913 PolarHBondContact O-N 3.08Å; F909-C914 VanDerWaalsContact CE1-SG 3.57Å; F909-F931 AromaticContact CD2-CE2 3.49Å; F909-F931 HydrophobicContact CD2-CE2 3.49Å; F909-F931 VanDerWaalsContact CD2-CE2 3.49Å; F909-F931 AromaticContact CD2-CZ 3.71Å; F909-F931 HydrophobicContact CD2-CZ 3.71Å; F909-F931 HydrophobicContact CE2-CD2 4.44Å; F909-F931 AromaticContact CE2-CE2 3.48Å; F909-F931 HydrophobicContact CE2-CE2 3.48Å; F909-F931 VanDerWaalsContact CE2-CE2 3.48Å; F909-F931 AromaticContact CE2-CZ 3.9Å; F909-F931 HydrophobicContact CE2-CZ 3.9Å; F909-F935 HydrophobicContact CB-CE2 4.21Å; F909-F935 HydrophobicContact CB-CZ 4.05Å; F909-F935 HydrophobicContact CD2-CE2 4.22Å |
| 910 | I | 74.8 | Confident | 66.1 | Low | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -64.7 | -45.7 | -179.6 | -66.5 | 165.8 | 0 | 0 | 0 | 110.5 | L667 L780 L811 L814 L906 L907 S908 C914 I915 | L667-I910 HydrophobicContact CD1-CD1 3.86Å; L667-I910 HydrophobicContact CD2-CD1 4.08Å; L780-I910 HydrophobicContact CD2-CG2 3.94Å; L811-I910 HydrophobicContact CD2-CG2 3.77Å; L814-I910 HydrophobicContact CD1-CD1 4.1Å; L906-I910 HydrophobicContact CD1-CD1 3.97Å; L906-I910 HydrophobicContact CD1-CG1 4.46Å; L906-I910 HydrophobicContact CG-CD1 3.88Å; L906-I910 VanDerWaalsContact O-CG1 3.25Å; L906-I910 WeakPolarHBondContact O-CG1 3.21Å; L906-I910 PolarHBondContact O-N 2.8Å; L907-I910 PolarHBondContact O-N 2.84Å; S908-I910 PolarHBondContact O-N 3Å; I910-C914 HydrophobicContact CG2-CB 4.19Å; I910-C914 WeakPolarHBondContact O-CA 3.34Å; I910-C914 WeakPolarHBondContact O-CB 3.38Å; I910-C914 PolarHBondContact O-N 3.04Å; I910-I915 PolarHBondContact O-N 2.86Å |
| 911 | C | 68.3 | Low | 63.6 | Low | 37 Ų | 37 | 36.8 Ų | 36.8 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -64.8 | -40.6 | -179.2 | -73.2 | 0 | 0 | 0 | 0 | 112.8 | L907 S908 | L907-C911 VanDerWaalsContact O-CB 3.27Å; L907-C911 WeakPolarHBondContact O-CB 3.49Å; L907-C911 PolarHBondContact O-N 2.91Å; L907-C911 PolarHBondContact O-SG 3.35Å; S908-C911 PolarHBondContact O-N 2.85Å |
| 912 | L | 64.4 | Low | 61.5 | Low | 65 Ų | 65 | 40 Ų | 40 | 34% | 0.34 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -78 | -43.2 | -178.4 | -70.4 | 169.8 | 0 | 0 | 0 | 112.7 | S908 F935 Y1029 | S908-L912 VanDerWaalsContact O-CB 3.3Å; S908-L912 WeakPolarHBondContact O-CB 3.34Å; S908-L912 VanDerWaalsContact O-CG 3.27Å; S908-L912 WeakPolarHBondContact O-CG 3.48Å; S908-L912 PolarHBondContact O-N 3.35Å; L912-F935 HydrophobicContact CD1-CD2 4.45Å; L912-F935 HydrophobicContact CD1-CE2 4.18Å; L912-Y1029 HydrophobicContact CD1-CE2 4.4Å; L912-Y1029 HydrophobicContact CD2-CD2 4.22Å; L912-Y1029 HydrophobicContact CD2-CE2 4.45Å |
| 913 | F | 65.8 | Low | 59.3 | Low | 50 Ų | 50 | 42.8 Ų | 42.8 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -114.2 | -23.2 | -165.3 | -63 | -79.7 | 0 | 0 | 0 | 115.2 | F909 F926 F931 F935 | F909-F913 HydrophobicContact CD2-CB 4.49Å; F909-F913 AromaticContact CD2-CD2 3.86Å; F909-F913 HydrophobicContact CD2-CD2 3.86Å; F909-F913 HydrophobicContact CD2-CG 4.45Å; F909-F913 HydrophobicContact CE2-CB 4.17Å; F909-F913 HydrophobicContact CE2-CD2 4.14Å; F909-F913 HydrophobicContact CE2-CG 4.29Å; F909-F913 HydrophobicContact CZ-CB 4.45Å; F909-F913 WeakPolarHBondContact O-CB 3.36Å; F909-F913 PolarHBondContact O-N 3.08Å; F913-F926 HydrophobicContact CD1-CE1 4.42Å; F913-F926 AromaticContact CE1-CE1 3.94Å; F913-F926 HydrophobicContact CE1-CE1 3.94Å; F913-F926 HydrophobicContact CE1-CZ 4.48Å; F913-F931 HydrophobicContact CD1-CD2 4.23Å; F913-F931 HydrophobicContact CD2-CD2 4.14Å; F913-F931 AromaticContact CD2-CE2 3.71Å; F913-F931 HydrophobicContact CD2-CE2 3.71Å; F913-F931 AromaticContact CE1-CD2 3.84Å; F913-F931 HydrophobicContact CE1-CD2 3.84Å; F913-F931 HydrophobicContact CE1-CE2 4.38Å; F913-F931 AromaticContact CE2-CD2 3.78Å; F913-F931 HydrophobicContact CE2-CD2 3.78Å; F913-F931 AromaticContact CE2-CE2 3.54Å; F913-F931 HydrophobicContact CE2-CE2 3.54Å; F913-F931 HydrophobicContact CG-CD2 4.37Å; F913-F931 HydrophobicContact CG-CE2 4.25Å; F913-F931 AromaticContact CZ-CD2 3.6Å; F913-F931 HydrophobicContact CZ-CD2 3.6Å; F913-F931 AromaticContact CZ-CE2 3.88Å; F913-F931 HydrophobicContact CZ-CE2 3.88Å; F913-F935 HydrophobicContact CD2-CD2 4.39Å; F913-F935 HydrophobicContact CD2-CE2 4.05Å; F913-F935 AromaticContact CE2-CD2 3.46Å; F913-F935 HydrophobicContact CE2-CD2 3.46Å; F913-F935 VanDerWaalsContact CE2-CD2 3.46Å; F913-F935 AromaticContact CE2-CE2 3.52Å; F913-F935 HydrophobicContact CE2-CE2 3.52Å; F913-F935 HydrophobicContact CZ-CD2 4.11Å |
| 914 | C | 68.2 | Low | 57 | Low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -103.1 | -10.2 | -171.1 | -63.3 | 0 | 0 | 0 | 0 | 114.1 | F669 I779 L780 F909 I910 | F669-C914 HydrophobicContact CE1-CB 4.35Å; I779-C914 WeakPolarHBondContact CA-O 3.32Å; L780-C914 HydrophobicContact CB-CB 4.27Å; L780-C914 PolarHBondContact N-O 2.9Å; F909-C914 VanDerWaalsContact CE1-SG 3.57Å; I910-C914 HydrophobicContact CG2-CB 4.19Å; I910-C914 WeakPolarHBondContact O-CA 3.34Å; I910-C914 WeakPolarHBondContact O-CB 3.38Å; I910-C914 PolarHBondContact O-N 3.04Å |
| 915 | I | 64.7 | Low | 55 | Low | 37 Ų | 37 | 50.4 Ų | 50.4 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -97.6 | 120.9 | 178.2 | -59.8 | 176.8 | 0 | 0 | 0 | 109.3 | F804 Y807 L811 I910 S917 | F804-I915 HydrophobicContact CZ-CD1 4.4Å; Y807-I915 HydrophobicContact CD2-CG2 4.32Å; Y807-I915 HydrophobicContact CE2-CG2 3.89Å; L811-I915 HydrophobicContact CD1-CD1 4.06Å; I910-I915 PolarHBondContact O-N 2.86Å; I915-S917 PolarHBondContact O-N 3.5Å |
| 916 | Q | 53.8 | Low | 53.2 | Low | 118 Ų | 118 | 54.1 Ų | 54.1 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | trans | -75.6 | 112.2 | -175 | -124.6 | 176.2 | -9.7 | 0 | 0 | 111.2 | I779 S918 | I779-Q916 HydrophobicContact CD1-CG 4Å; I779-Q916 HydrophobicContact CG1-CG 4.37Å; Q916-S918 PolarHBondContact O-N 3.5Å | ||
| 917 | S | 43.7 | Very low | 51 | Low | 104 Ų | 104 | 58.4 Ų | 58.4 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | trans | -79.3 | 106.7 | 171.4 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | I915 S919 | I915-S917 PolarHBondContact O-N 3.5Å; S917-S919 PolarHBondContact O-N 3.3Å | ||
| 918 | S | 33.2 | Very low | 49.5 | Very low | 83 Ų | 83 | 60.3 Ų | 60.3 | 58% | 0.58 | 37% | 0.37 | S | S | * | . | trans | -69.5 | 85.2 | -179.3 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | K803 Q916 | K803-S918 PolarHBondContact NZ-OG 2.89Å; Q916-S918 PolarHBondContact O-N 3.5Å | ||
| 919 | S | 34.2 | Very low | 48.1 | Very low | 54 Ų | 54 | 63.3 Ų | 63.3 | 38% | 0.378 | 39% | 0.391 | S | S | . | . | trans | -156 | 30.9 | 166.1 | 68.3 | 0 | 0 | 0 | 0 | 116.3 | S917 R1021 | S917-S919 PolarHBondContact O-N 3.3Å; S919-R1021 VanDerWaalsContact O-CZ 3.22Å; S919-R1021 PolarHBondContact O-NH1 2.98Å; S919-R1021 PolarHBondContact O-NH2 2.81Å | ||
| 920 | S | 33.6 | Very low | 46.6 | Very low | 66 Ų | 66 | 67.3 Ų | 67.3 | 46% | 0.462 | 41% | 0.409 | S | S | . | . | trans | -165 | 131.7 | 153.8 | 42.9 | 0 | 0 | 0 | 0 | 111.1 | S922 | S920-S922 PolarHBondContact O-N 2.8Š| ||
| 921 | S | 29.8 | Very low | 45.3 | Very low | 130 Ų | 130 | 68.9 Ų | 68.9 | 91% | 0.909 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -66.1 | 71.2 | 165.9 | 49 | 0 | 0 | 0 | 0 | 109.9 | ||
| 922 | S | 33.8 | Very low | 44.3 | Very low | 76 Ų | 76 | 74.6 Ų | 74.6 | 53% | 0.531 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 165 | 132.6 | 163.6 | 39.3 | 0 | 0 | 0 | 0 | 106.8 | S920 S924 | S920-S922 PolarHBondContact O-N 2.8Å; S922-S924 PolarHBondContact O-N 3.32Å |
| 923 | P | 37.2 | Very low | 43.2 | Very low | 60 Ų | 60 | 75.2 Ų | 75.2 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | trans | -67 | 90.3 | 166.1 | 28.3 | -30.1 | 0 | 0 | 0 | 106.8 | K674 Y777 S925 | K674-P923 HydrophobicContact CG-CG 4.13Å; Y777-P923 HydrophobicContact CE2-CB 3.89Å; Y777-P923 HydrophobicContact CE2-CG 4.22Å; P923-S925 PolarHBondContact O-N 2.92Å | ||
| 924 | S | 33.3 | Very low | 42.1 | Very low | 84 Ų | 84 | 77.9 Ų | 77.9 | 59% | 0.587 | 46% | 0.462 | S | S | * | . | trans | -53.4 | 133.6 | 168.6 | 48.2 | 0 | 0 | 0 | 0 | 107.5 | S922 F926 | S922-S924 PolarHBondContact O-N 3.32Å; S924-F926 PolarHBondContact O-N 3.26Å | ||
| 925 | S | 34.2 | Very low | 41.4 | Very low | 82 Ų | 82 | 78.7 Ų | 78.7 | 57% | 0.573 | 47% | 0.466 | S | S | * | . | trans | -50.7 | 84.4 | -165.2 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | P923 D927 | P923-S925 PolarHBondContact O-N 2.92Å; S925-D927 PolarHBondContact O-N 2.77Å | ||
| 926 | F | 38.2 | Very low | 40.4 | Very low | 78 Ų | 78 | 82 Ų | 82 | 34% | 0.342 | 48% | 0.482 | S | S | . | . | trans | -76 | 111.8 | 163.5 | -126.3 | -88.3 | 0 | 0 | 0 | 107.9 | N775 Y777 F913 S924 E930 | N775-F926 PolarHBondContact ND2-O 3.28Å; Y777-F926 HydrophobicContact CE1-CB 4.06Å; F913-F926 HydrophobicContact CD1-CE1 4.42Å; F913-F926 AromaticContact CE1-CE1 3.94Å; F913-F926 HydrophobicContact CE1-CE1 3.94Å; F913-F926 HydrophobicContact CE1-CZ 4.48Å; S924-F926 PolarHBondContact O-N 3.26Å; F926-E930 HydrophobicContact CE1-CB 3.99Å; F926-E930 HydrophobicContact CZ-CB 4.5Å | ||
| 927 | D | 37.9 | Very low | 40.2 | Very low | 89 Ų | 89 | 79.1 Ų | 79.1 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | trans | -94.1 | 127.7 | 171 | -152.1 | -1.8 | 0 | 0 | 0 | 105.7 | S925 S929 E930 | S925-D927 PolarHBondContact O-N 2.77Å; D927-S929 WeakPolarHBondContact CB-OG 3.29Å; D927-S929 PolarHBondContact O-N 2.91Å; D927-E930 PolarHBondContact O-N 2.83Å | ||
| 928 | F | 46.5 | Very low | 40.8 | Very low | 41 Ų | 41 | 74.3 Ų | 74.3 | 18% | 0.18 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -60.6 | -5.7 | -179.8 | -80.8 | -84.5 | 0 | 0 | 0 | 112.6 | I758 N761 N762 L776 E930 F931 | I758-F928 HydrophobicContact CG1-CE1 4.48Å; I758-F928 HydrophobicContact CG2-CD1 4.06Å; I758-F928 HydrophobicContact CG2-CE1 4.34Å; N761-F928 HydrophobicContact CB-CE2 4.15Å; N762-F928 WeakPolarHBondContact OD1-CB 3.42Å; N762-F928 WeakPolarHBondContact OD1-CG 3.43Å; L776-F928 WeakPolarHBondContact O-CE2 3.47Å; F928-E930 VanDerWaalsContact C-N 3.28Å; F928-F931 WeakPolarHBondContact O-CB 3.28Å; F928-F931 PolarHBondContact O-N 3.02Å |
| 929 | S | 39.8 | Very low | 42.2 | Very low | 72 Ų | 72 | 74.1 Ų | 74.1 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -63.1 | -28.1 | 165.8 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | D927 F931 E932 | D927-S929 WeakPolarHBondContact CB-OG 3.29Å; D927-S929 PolarHBondContact O-N 2.91Å; S929-F931 PolarHBondContact O-N 2.85Å; S929-E932 PolarHBondContact O-N 3.46Å |
| 930 | E | 43.5 | Very low | 43.7 | Very low | 86 Ų | 86 | 72.2 Ų | 72.2 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -74.5 | -13.4 | 174.4 | -69.4 | 179.2 | 164.7 | 0 | 0 | 112.5 | F926 D927 F928 E932 S933 E934 | F926-E930 HydrophobicContact CE1-CB 3.99Å; F926-E930 HydrophobicContact CZ-CB 4.5Å; D927-E930 PolarHBondContact O-N 2.83Å; F928-E930 VanDerWaalsContact C-N 3.28Å; E930-E932 PolarHBondContact O-N 3.02Å; E930-S933 PolarHBondContact O-N 3.49Å; E930-S933 PolarHBondContact O-OG 2.7Å; E930-E934 PolarHBondContact O-N 3.2Å |
| 931 | F | 47.8 | Very low | 45 | Very low | 33 Ų | 33 | 71.3 Ų | 71.3 | 15% | 0.145 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.9 | -31.6 | 173.2 | -167.3 | -100 | 0 | 0 | 0 | 111.9 | W751 I758 F909 F913 F928 S929 F935 | W751-F931 HydrophobicContact CH2-CZ 4.43Å; I758-F931 HydrophobicContact CD1-CZ 4.25Å; F909-F931 AromaticContact CD2-CE2 3.49Å; F909-F931 HydrophobicContact CD2-CE2 3.49Å; F909-F931 VanDerWaalsContact CD2-CE2 3.49Å; F909-F931 AromaticContact CD2-CZ 3.71Å; F909-F931 HydrophobicContact CD2-CZ 3.71Å; F909-F931 HydrophobicContact CE2-CD2 4.44Å; F909-F931 AromaticContact CE2-CE2 3.48Å; F909-F931 HydrophobicContact CE2-CE2 3.48Å; F909-F931 VanDerWaalsContact CE2-CE2 3.48Å; F909-F931 AromaticContact CE2-CZ 3.9Å; F909-F931 HydrophobicContact CE2-CZ 3.9Å; F913-F931 HydrophobicContact CD1-CD2 4.23Å; F913-F931 HydrophobicContact CD2-CD2 4.14Å; F913-F931 AromaticContact CD2-CE2 3.71Å; F913-F931 HydrophobicContact CD2-CE2 3.71Å; F913-F931 AromaticContact CE1-CD2 3.84Å; F913-F931 HydrophobicContact CE1-CD2 3.84Å; F913-F931 HydrophobicContact CE1-CE2 4.38Å; F913-F931 AromaticContact CE2-CD2 3.78Å; F913-F931 HydrophobicContact CE2-CD2 3.78Å; F913-F931 AromaticContact CE2-CE2 3.54Å; F913-F931 HydrophobicContact CE2-CE2 3.54Å; F913-F931 HydrophobicContact CG-CD2 4.37Å; F913-F931 HydrophobicContact CG-CE2 4.25Å; F913-F931 AromaticContact CZ-CD2 3.6Å; F913-F931 HydrophobicContact CZ-CD2 3.6Å; F913-F931 AromaticContact CZ-CE2 3.88Å; F913-F931 HydrophobicContact CZ-CE2 3.88Å; F928-F931 WeakPolarHBondContact O-CB 3.28Å; F928-F931 PolarHBondContact O-N 3.02Å; S929-F931 PolarHBondContact O-N 2.85Å; F931-F935 HydrophobicContact CD2-CD2 4.29Å; F931-F935 HydrophobicContact CE1-CD2 4.23Å; F931-F935 HydrophobicContact CE1-CG 4.45Å; F931-F935 AromaticContact CE2-CD2 3.59Å; F931-F935 HydrophobicContact CE2-CD2 3.59Å; F931-F935 AromaticContact CE2-CE2 3.79Å; F931-F935 HydrophobicContact CE2-CE2 3.79Å; F931-F935 AromaticContact CZ-CD2 3.56Å; F931-F935 HydrophobicContact CZ-CD2 3.56Å; F931-F935 AromaticContact CZ-CE2 3.73Å; F931-F935 HydrophobicContact CZ-CE2 3.73Å; F931-F935 HydrophobicContact CZ-CG 4.16Å; F931-F935 HydrophobicContact CZ-CZ 4.45Å; F931-F935 WeakPolarHBondContact O-CB 3.5Å; F931-F935 PolarHBondContact O-N 2.87Å |
| 932 | E | 46 | Very low | 46.7 | Very low | 158 Ų | 158 | 68.7 Ų | 68.7 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -74.3 | -26.1 | 179.6 | -71.8 | -175.1 | 170.8 | 0 | 0 | 113.4 | S929 E930 | S929-E932 PolarHBondContact O-N 3.46Å; E930-E932 PolarHBondContact O-N 3.02Å |
| 933 | S | 41.4 | Very low | 48.2 | Very low | 78 Ų | 78 | 65.7 Ų | 65.7 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -85.4 | -38.6 | -177.9 | 44.9 | 0 | 0 | 0 | 0 | 113.7 | E930 | E930-S933 PolarHBondContact O-N 3.49Å; E930-S933 PolarHBondContact O-OG 2.7Å |
| 934 | E | 44.3 | Very low | 49.6 | Very low | 105 Ų | 105 | 63.3 Ų | 63.3 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -88.2 | -26.3 | -174.8 | -68.1 | -173.1 | 158 | 0 | 0 | 113.6 | E930 M936 | E930-E934 PolarHBondContact O-N 3.2Å; E934-M936 PolarHBondContact O-N 3.45Å |
| 935 | F | 51.5 | Low | 51 | Low | 19 Ų | 19 | 63.5 Ų | 63.5 | 8% | 0.083 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -80.6 | 8.6 | 178.7 | -127 | -84 | 0 | 0 | 0 | 113.9 | I905 F909 L912 F913 F931 L937 F938 | I905-F935 HydrophobicContact CG2-CE1 4.12Å; I905-F935 HydrophobicContact CG2-CZ 4.41Å; F909-F935 HydrophobicContact CB-CE2 4.21Å; F909-F935 HydrophobicContact CB-CZ 4.05Å; F909-F935 HydrophobicContact CD2-CE2 4.22Å; L912-F935 HydrophobicContact CD1-CD2 4.45Å; L912-F935 HydrophobicContact CD1-CE2 4.18Å; F913-F935 HydrophobicContact CD2-CD2 4.39Å; F913-F935 HydrophobicContact CD2-CE2 4.05Å; F913-F935 AromaticContact CE2-CD2 3.46Å; F913-F935 HydrophobicContact CE2-CD2 3.46Å; F913-F935 VanDerWaalsContact CE2-CD2 3.46Å; F913-F935 AromaticContact CE2-CE2 3.52Å; F913-F935 HydrophobicContact CE2-CE2 3.52Å; F913-F935 HydrophobicContact CZ-CD2 4.11Å; F931-F935 HydrophobicContact CD2-CD2 4.29Å; F931-F935 HydrophobicContact CE1-CD2 4.23Å; F931-F935 HydrophobicContact CE1-CG 4.45Å; F931-F935 AromaticContact CE2-CD2 3.59Å; F931-F935 HydrophobicContact CE2-CD2 3.59Å; F931-F935 AromaticContact CE2-CE2 3.79Å; F931-F935 HydrophobicContact CE2-CE2 3.79Å; F931-F935 AromaticContact CZ-CD2 3.56Å; F931-F935 HydrophobicContact CZ-CD2 3.56Å; F931-F935 AromaticContact CZ-CE2 3.73Å; F931-F935 HydrophobicContact CZ-CE2 3.73Å; F931-F935 HydrophobicContact CZ-CG 4.16Å; F931-F935 HydrophobicContact CZ-CZ 4.45Å; F931-F935 WeakPolarHBondContact O-CB 3.5Å; F931-F935 PolarHBondContact O-N 2.87Å; F935-L937 PolarHBondContact O-N 3.34Å; F935-F938 HydrophobicContact CD1-CB 4.25Å; F935-F938 HydrophobicContact CE1-CB 4.07Å; F935-F938 PolarHBondContact O-N 2.99Å |
| 936 | M | 44.6 | Very low | 52.3 | Low | 107 Ų | 107 | 62.7 Ų | 62.7 | 53% | 0.527 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -51.7 | -31.1 | -177.8 | -94.9 | -76 | -176.6 | 0 | 0 | 113.9 | E934 | E934-M936 PolarHBondContact O-N 3.45Š|
| 937 | L | 48.9 | Very low | 53.6 | Low | 56 Ų | 56 | 59 Ų | 59 | 29% | 0.293 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -78.7 | -25.4 | -175 | -118.2 | 92.2 | 0 | 0 | 0 | 114.9 | F935 Y1029 Y1033 | F935-L937 PolarHBondContact O-N 3.34Å; L937-Y1029 WeakPolarHBondContact CB-OH 3.47Å; L937-Y1029 HydrophobicContact CD2-CE1 3.77Å; L937-Y1029 WeakPolarHBondContact CD2-OH 3.49Å; L937-Y1033 HydrophobicContact CD2-CD2 3.19Å; L937-Y1033 HydrophobicContact CD2-CE2 3.36Å; L937-Y1033 HydrophobicContact CD2-CG 3.87Å; L937-Y1033 HydrophobicContact CG-CD2 4.36Å; L937-Y1033 HydrophobicContact CG-CE2 4.18Å |
| 938 | F | 56.6 | Low | 54.8 | Low | 3 Ų | 3 | 57.6 Ų | 57.6 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -123.3 | 42.3 | -172.6 | -64.2 | -74.9 | 0 | 0 | 0 | 112 | V904 F935 L943 Y1029 F1032 Y1033 C1036 | V904-F938 HydrophobicContact CG1-CD1 4.28Å; V904-F938 HydrophobicContact CG1-CE1 4.49Å; F935-F938 HydrophobicContact CD1-CB 4.25Å; F935-F938 HydrophobicContact CE1-CB 4.07Å; F935-F938 PolarHBondContact O-N 2.99Å; F938-L943 HydrophobicContact CD1-CD1 4.33Å; F938-L943 HydrophobicContact CD1-CD2 4.48Å; F938-Y1029 HydrophobicContact CD2-CE2 4.45Å; F938-Y1029 HydrophobicContact CE2-CD2 4.46Å; F938-Y1029 AromaticContact CE2-CE2 3.86Å; F938-Y1029 HydrophobicContact CE2-CE2 3.86Å; F938-F1032 HydrophobicContact CD1-CE1 4.48Å; F938-F1032 AromaticContact CE1-CD1 3.98Å; F938-F1032 HydrophobicContact CE1-CD1 3.98Å; F938-F1032 AromaticContact CE1-CE1 3.9Å; F938-F1032 HydrophobicContact CE1-CE1 3.9Å; F938-F1032 HydrophobicContact CE2-CD1 4.22Å; F938-F1032 HydrophobicContact CE2-CE1 4.46Å; F938-F1032 AromaticContact CZ-CD1 3.58Å; F938-F1032 HydrophobicContact CZ-CD1 3.58Å; F938-F1032 AromaticContact CZ-CE1 3.9Å; F938-F1032 HydrophobicContact CZ-CE1 3.9Å; F938-Y1033 HydrophobicContact CZ-CD2 4.39Å; F938-C1036 HydrophobicContact CE1-CB 4.31Å |
| 939 | K | 63.6 | Low | 55.3 | Low | 80 Ų | 80 | 56.4 Ų | 56.4 | 35% | 0.348 | 30% | 0.295 | S | S | . | . | trans | -64.1 | 128.7 | 170.6 | -71.4 | -172.3 | 177.9 | 177 | 0 | 109 | T941 H942 L943 | K939-T941 PolarHBondContact O-N 3.36Å; K939-T941 VanDerWaalsContact O-N 3.11Å; K939-H942 HydrophobicContact CB-CB 4.5Å; K939-H942 PolarHBondContact O-N 2.99Å; K939-L943 PolarHBondContact O-N 3.25Å | ||
| 940 | P | 65.5 | Low | 56.3 | Low | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.1 | -34.7 | 179.8 | -21.7 | 28.4 | 0 | 0 | 0 | 112.5 | L592 D593 I905 L943 L944 | L592-P940 HydrophobicContact CB-CB 4.18Å; D593-P940 HydrophobicContact CB-CB 4.26Å; D593-P940 HydrophobicContact CB-CG 4.16Å; I905-P940 HydrophobicContact CD1-CB 3.83Å; I905-P940 HydrophobicContact CD1-CG 3.67Å; P940-L943 PolarHBondContact O-N 3.14Å; P940-L944 VanDerWaalsContact O-CB 3.22Å; P940-L944 WeakPolarHBondContact O-CB 3.39Å; P940-L944 PolarHBondContact O-N 3.35Å |
| 941 | T | 61.5 | Low | 57.1 | Low | 48 Ų | 48 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58 | -46.8 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | C530 K939 L944 T945 | C530-T941 VanDerWaalsContact SG-CG2 3.52Å; K939-T941 PolarHBondContact O-N 3.36Å; K939-T941 VanDerWaalsContact O-N 3.11Å; T941-L944 PolarHBondContact O-N 3.11Å; T941-T945 WeakPolarHBondContact O-CG2 3.49Å; T941-T945 PolarHBondContact O-N 3.13Å; T941-T945 PolarHBondContact O-OG1 2.78Å |
| 942 | H | 63.7 | Low | 57.3 | Low | 74 Ų | 74 | 51.4 Ų | 51.4 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | -178.8 | -65.3 | 179.9 | 0 | 0 | 0 | 111.6 | K939 L944 T945 M946 | K939-H942 HydrophobicContact CB-CB 4.5Å; K939-H942 PolarHBondContact O-N 2.99Å; H942-L944 VanDerWaalsContact C-N 3.29Å; H942-L944 PolarHBondContact O-N 3.13Å; H942-T945 VanDerWaalsContact C-OG1 3.3Å; H942-T945 VanDerWaalsContact CA-OG1 3.23Å; H942-T945 WeakPolarHBondContact CA-OG1 3.33Å; H942-T945 PolarHBondContact O-N 3.38Å; H942-T945 PolarHBondContact O-OG1 2.84Å; H942-M946 WeakPolarHBondContact O-CB 3.49Å; H942-M946 VanDerWaalsContact O-CG 3.27Å; H942-M946 WeakPolarHBondContact O-CG 3.33Å; H942-M946 PolarHBondContact O-N 2.92Å |
| 943 | L | 65.4 | Low | 57.6 | Low | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 176.9 | -67.5 | 174.3 | 0 | 0 | 0 | 111.3 | I901 V904 I905 F938 K939 P940 M946 L947 M1040 | I901-L943 HydrophobicContact CD1-CB 4.2Å; I901-L943 HydrophobicContact CG1-CB 4.13Å; I901-L943 HydrophobicContact CG2-CB 4.06Å; I901-L943 HydrophobicContact CG2-CD1 3.99Å; V904-L943 HydrophobicContact CG1-CD1 4.26Å; I905-L943 HydrophobicContact CD1-CD1 4.5Å; I905-L943 HydrophobicContact CG1-CD1 4.14Å; F938-L943 HydrophobicContact CD1-CD1 4.33Å; F938-L943 HydrophobicContact CD1-CD2 4.48Å; K939-L943 PolarHBondContact O-N 3.25Å; P940-L943 PolarHBondContact O-N 3.14Å; L943-M946 PolarHBondContact O-N 3.06Å; L943-L947 PolarHBondContact O-N 3.3Å; L943-M1040 VanDerWaalsContact O-CE 3.29Å; L943-M1040 WeakPolarHBondContact O-CE 3.11Å |
| 944 | L | 67.5 | Low | 58.1 | Low | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.8 | -42.3 | 177.3 | -168.5 | 65.3 | 0 | 0 | 0 | 112 | P531 Y898 I901 P940 T941 H942 M946 L947 H948 | P531-L944 HydrophobicContact CG-CD2 4.16Å; Y898-L944 HydrophobicContact CD1-CD1 4.06Å; Y898-L944 HydrophobicContact CE1-CD1 3.3Å; Y898-L944 HydrophobicContact CE1-CD2 4.07Å; Y898-L944 HydrophobicContact CE1-CG 4.34Å; I901-L944 HydrophobicContact CD1-CD1 4.21Å; P940-L944 VanDerWaalsContact O-CB 3.22Å; P940-L944 WeakPolarHBondContact O-CB 3.39Å; P940-L944 PolarHBondContact O-N 3.35Å; T941-L944 PolarHBondContact O-N 3.11Å; H942-L944 VanDerWaalsContact C-N 3.29Å; H942-L944 PolarHBondContact O-N 3.13Å; L944-M946 VanDerWaalsContact C-N 3.3Å; L944-M946 PolarHBondContact O-N 2.95Å; L944-L947 WeakPolarHBondContact O-CB 3.02Å; L944-L947 PolarHBondContact O-N 2.89Å; L944-L947 VanDerWaalsContact O-N 3.1Å; L944-H948 PolarHBondContact O-CD2 2.6Å; L944-H948 PolarHBondContact O-N 3.23Å |
| 945 | T | 61.9 | Low | 58.4 | Low | 87 Ų | 87 | 43 Ų | 43 | 53% | 0.534 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 174 | 44.2 | 0 | 0 | 0 | 0 | 111.6 | T941 H942 L947 H948 S949 | T941-T945 WeakPolarHBondContact O-CG2 3.49Å; T941-T945 PolarHBondContact O-N 3.13Å; T941-T945 PolarHBondContact O-OG1 2.78Å; H942-T945 VanDerWaalsContact C-OG1 3.3Å; H942-T945 VanDerWaalsContact CA-OG1 3.23Å; H942-T945 WeakPolarHBondContact CA-OG1 3.33Å; H942-T945 PolarHBondContact O-N 3.38Å; H942-T945 PolarHBondContact O-OG1 2.84Å; T945-L947 VanDerWaalsContact C-N 3.3Å; T945-L947 PolarHBondContact O-N 2.66Å; T945-H948 PolarHBondContact O-N 2.96Å; T945-S949 WeakPolarHBondContact O-CB 3.39Å; T945-S949 PolarHBondContact O-N 2.57Å; T945-S949 PolarHBondContact O-OG 2.91Å |
| 946 | M | 61.4 | Low | 58 | Low | 65 Ų | 65 | 46.9 Ų | 46.9 | 32% | 0.32 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 174 | -70.6 | -179.7 | 85.5 | 0 | 0 | 110.4 | H942 L943 L944 H948 S949 T950 M1040 | H942-M946 WeakPolarHBondContact O-CB 3.49Å; H942-M946 VanDerWaalsContact O-CG 3.27Å; H942-M946 WeakPolarHBondContact O-CG 3.33Å; H942-M946 PolarHBondContact O-N 2.92Å; L943-M946 PolarHBondContact O-N 3.06Å; L944-M946 VanDerWaalsContact C-N 3.3Å; L944-M946 PolarHBondContact O-N 2.95Å; M946-H948 PolarHBondContact O-N 3.47Å; M946-S949 WeakPolarHBondContact CA-OG 3.45Å; M946-S949 PolarHBondContact O-N 3.06Å; M946-S949 VanDerWaalsContact O-N 3.14Å; M946-S949 PolarHBondContact O-OG 2.92Å; M946-T950 PolarHBondContact O-N 3.37Å; M946-T950 PolarHBondContact O-OG1 3.02Å; M946-M1040 VanDerWaalsContact C-CE 3.44Å; M946-M1040 HydrophobicContact CB-CE 3.15Å; M946-M1040 HydrophobicContact CB-CG 4.07Å; M946-M1040 HydrophobicContact CB-SD 4.35Å; M946-M1040 HydrophobicContact CE-CB 3.39Å; M946-M1040 HydrophobicContact CE-CG 3.44Å; M946-M1040 VanDerWaalsContact CE-CG 3.44Å; M946-M1040 HydrophobicContact CG-CE 4.4Å; M946-M1040 HydrophobicContact SD-CG 4.06Å |
| 947 | L | 65.9 | Low | 58 | Low | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 179.9 | -170.1 | 148.6 | 0 | 0 | 0 | 112.1 | Y893 F894 I901 L943 L944 T945 S949 T950 M1040 | Y893-L947 HydrophobicContact CE1-CD2 3.83Å; Y893-L947 HydrophobicContact CE1-CG 4.37Å; F894-L947 HydrophobicContact CD1-CD2 3.26Å; F894-L947 HydrophobicContact CE1-CD2 3.25Å; F894-L947 HydrophobicContact CG-CD2 4.39Å; F894-L947 HydrophobicContact CZ-CD2 4.39Å; I901-L947 HydrophobicContact CD1-CB 4.44Å; I901-L947 HydrophobicContact CD1-CD1 3.91Å; L943-L947 PolarHBondContact O-N 3.3Å; L944-L947 WeakPolarHBondContact O-CB 3.02Å; L944-L947 PolarHBondContact O-N 2.89Å; L944-L947 VanDerWaalsContact O-N 3.1Å; T945-L947 VanDerWaalsContact C-N 3.3Å; T945-L947 PolarHBondContact O-N 2.66Å; L947-S949 VanDerWaalsContact C-N 3.34Å; L947-T950 PolarHBondContact O-OG1 3.44Å; L947-M1040 HydrophobicContact CB-CE 3.98Å |
| 948 | H | 63.6 | Low | 57.7 | Low | 58 Ų | 58 | 47.9 Ų | 47.9 | 27% | 0.269 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 171.7 | -74.9 | -69.2 | 0 | 0 | 0 | 112.3 | F894 L944 T945 M946 S952 | F894-H948 AromaticContact CE1-CE1 3.22Å; F894-H948 WeakPolarHBondContact CE1-CE1 3.18Å; F894-H948 AromaticContact CE1-ND1 3.21Å; F894-H948 WeakPolarHBondContact CE1-ND1 3.27Å; F894-H948 AromaticContact CZ-CE1 3.64Å; F894-H948 AromaticContact CZ-ND1 3.37Å; F894-H948 WeakPolarHBondContact CZ-ND1 3.42Å; L944-H948 PolarHBondContact O-CD2 2.6Å; L944-H948 PolarHBondContact O-N 3.23Å; T945-H948 PolarHBondContact O-N 2.96Å; M946-H948 PolarHBondContact O-N 3.47Å; H948-S952 PolarHBondContact O-N 2.76Å; H948-S952 PolarHBondContact O-OG 3.02Å |
| 949 | S | 57.1 | Low | 56.7 | Low | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.3 | -34.6 | 179.8 | 75.1 | 0 | 0 | 0 | 0 | 112.7 | T945 M946 L947 S952 L953 | T945-S949 WeakPolarHBondContact O-CB 3.39Å; T945-S949 PolarHBondContact O-N 2.57Å; T945-S949 PolarHBondContact O-OG 2.91Å; M946-S949 WeakPolarHBondContact CA-OG 3.45Å; M946-S949 PolarHBondContact O-N 3.06Å; M946-S949 VanDerWaalsContact O-N 3.14Å; M946-S949 PolarHBondContact O-OG 2.92Å; L947-S949 VanDerWaalsContact C-N 3.34Å; S949-S952 PolarHBondContact O-N 3.18Å; S949-S952 VanDerWaalsContact O-N 3.17Å; S949-L953 WeakPolarHBondContact O-CG 3.23Å; S949-L953 PolarHBondContact O-N 3.36Å |
| 950 | T | 60.5 | Low | 55.3 | Low | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 177.6 | 44 | 0 | 0 | 0 | 0 | 111.7 | Y893 M946 L947 S952 L953 E954 M1040 | Y893-T950 PolarHBondContact OH-OG1 3.41Å; M946-T950 PolarHBondContact O-N 3.37Å; M946-T950 PolarHBondContact O-OG1 3.02Å; L947-T950 PolarHBondContact O-OG1 3.44Å; T950-S952 VanDerWaalsContact C-N 3.29Å; T950-S952 PolarHBondContact O-N 2.66Å; T950-L953 PolarHBondContact O-N 2.94Å; T950-E954 WeakPolarHBondContact O-CG 3.32Å; T950-E954 PolarHBondContact O-N 2.78Å; T950-E954 VanDerWaalsContact O-N 3.16Å; T950-M1040 HydrophobicContact CG2-CB 4.38Å; T950-M1040 WeakPolarHBondContact CG2-O 3.49Å |
| 951 | L | 60.2 | Low | 53.6 | Low | 24 Ų | 24 | 61.5 Ų | 61.5 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 174.1 | -173.4 | 73.5 | 0 | 0 | 0 | 111.6 | L832 T890 Y893 F894 N955 | L832-L951 HydrophobicContact CD2-CD1 3.54Å; T890-L951 HydrophobicContact CG2-CD2 4.1Å; Y893-L951 HydrophobicContact CE1-CB 4.49Å; Y893-L951 HydrophobicContact CE1-CD1 4.44Å; F894-L951 HydrophobicContact CE2-CD2 3.73Å; F894-L951 HydrophobicContact CZ-CD2 3.69Å; L951-N955 VanDerWaalsContact O-CG 3.26Å; L951-N955 PolarHBondContact O-N 3.17Å; L951-N955 PolarHBondContact O-ND2 2.99Å |
| 952 | S | 52.6 | Low | 52.1 | Low | 54 Ų | 54 | 63.6 Ų | 63.6 | 38% | 0.378 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.6 | -36.2 | -178.6 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | H948 S949 T950 I956 | H948-S952 PolarHBondContact O-N 2.76Å; H948-S952 PolarHBondContact O-OG 3.02Å; S949-S952 PolarHBondContact O-N 3.18Å; S949-S952 VanDerWaalsContact O-N 3.17Å; T950-S952 VanDerWaalsContact C-N 3.29Å; T950-S952 PolarHBondContact O-N 2.66Å; S952-I956 WeakPolarHBondContact O-CG1 3.26Å |
| 953 | L | 51.9 | Low | 50.4 | Low | 48 Ų | 48 | 69.9 Ų | 69.9 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 177.9 | -75.6 | 166.7 | 0 | 0 | 0 | 112.3 | S949 T950 N955 I956 Q957 L984 | S949-L953 WeakPolarHBondContact O-CG 3.23Å; S949-L953 PolarHBondContact O-N 3.36Å; T950-L953 PolarHBondContact O-N 2.94Å; L953-N955 VanDerWaalsContact C-N 3.29Å; L953-N955 PolarHBondContact O-N 3.02Å; L953-I956 PolarHBondContact O-N 2.98Å; L953-I956 VanDerWaalsContact O-N 3.13Å; L953-Q957 PolarHBondContact O-N 2.92Å; L953-L984 HydrophobicContact CD1-CD1 4.31Å |
| 954 | E | 52.5 | Low | 48.6 | Very low | 34 Ų | 34 | 73.8 Ų | 73.8 | 16% | 0.159 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 176.3 | -72.3 | 175.8 | 168.4 | 0 | 0 | 111.8 | R829 T950 I956 S958 | R829-E954 IonicContact CZ-OE1 3.39Å; R829-E954 IonicContact NE-OE1 3.17Å; R829-E954 PolarHBondContact NE-OE1 2.72Å; R829-E954 IonicContact NE-OE2 2.7Å; R829-E954 IonicContact NH2-OE1 2.75Å; R829-E954 PolarHBondContact NH2-OE1 2.84Å; T950-E954 WeakPolarHBondContact O-CG 3.32Å; T950-E954 PolarHBondContact O-N 2.78Å; T950-E954 VanDerWaalsContact O-N 3.16Å; E954-I956 PolarHBondContact O-N 3.24Å; E954-S958 PolarHBondContact O-OG 3.5Å |
| 955 | N | 50.4 | Low | 46.9 | Very low | 84 Ų | 84 | 79.9 Ų | 79.9 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.7 | -24.3 | 173.6 | -70.5 | -20.7 | 0 | 0 | 0 | 113.6 | L951 L953 S958 | L951-N955 VanDerWaalsContact O-CG 3.26Å; L951-N955 PolarHBondContact O-N 3.17Å; L951-N955 PolarHBondContact O-ND2 2.99Å; L953-N955 VanDerWaalsContact C-N 3.29Å; L953-N955 PolarHBondContact O-N 3.02Å; N955-S958 PolarHBondContact O-OG 3.4Å |
| 956 | I | 43.7 | Very low | 45.2 | Very low | 100 Ų | 100 | 84.8 Ų | 84.8 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -89.1 | -36.5 | -178.8 | -64 | 166.1 | 0 | 0 | 0 | 111 | S952 L953 E954 S958 S959 | S952-I956 WeakPolarHBondContact O-CG1 3.26Å; L953-I956 PolarHBondContact O-N 2.98Å; L953-I956 VanDerWaalsContact O-N 3.13Å; E954-I956 PolarHBondContact O-N 3.24Å; I956-S958 VanDerWaalsContact C-N 3.34Å; I956-S958 PolarHBondContact O-N 3.1Å; I956-S959 PolarHBondContact O-N 3.42Å; I956-S959 PolarHBondContact O-OG 2.88Å |
| 957 | Q | 43.9 | Very low | 43.5 | Very low | 144 Ų | 144 | 86 Ų | 86 | 67% | 0.673 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.2 | -22.9 | -177.1 | -71.2 | -174.6 | -2.5 | 0 | 0 | 114.1 | L953 S959 | L953-Q957 PolarHBondContact O-N 2.92Å; Q957-S959 VanDerWaalsContact C-N 3.26Å; Q957-S959 PolarHBondContact O-N 2.82Å |
| 958 | S | 42.1 | Very low | 41.6 | Very low | 40 Ų | 40 | 91.9 Ų | 91.9 | 28% | 0.28 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.7 | 174.2 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | E954 N955 I956 | E954-S958 PolarHBondContact O-OG 3.5Å; N955-S958 PolarHBondContact O-OG 3.4Å; I956-S958 VanDerWaalsContact C-N 3.34Å; I956-S958 PolarHBondContact O-N 3.1Å |
| 959 | S | 36.3 | Very low | 39.7 | Very low | 50 Ų | 50 | 97.8 Ų | 97.8 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | trans | -93.1 | 89.5 | 168.3 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | I956 Q957 F961 | I956-S959 PolarHBondContact O-N 3.42Å; I956-S959 PolarHBondContact O-OG 2.88Å; Q957-S959 VanDerWaalsContact C-N 3.26Å; Q957-S959 PolarHBondContact O-N 2.82Å; S959-F961 VanDerWaalsContact C-N 3.27Å; S959-F961 PolarHBondContact O-N 2.85Å | ||
| 960 | E | 33.3 | Very low | 38.4 | Very low | 164 Ų | 164 | 102.9 Ų | 102.9 | 77% | 0.766 | 56% | 0.56 | S | S | * | * | trans | -60.7 | 94.8 | 157.1 | -76 | 177.1 | 153.4 | 0 | 0 | 108 | ||||
| 961 | F | 30.9 | Very low | 36.8 | Very low | 168 Ų | 168 | 110.7 Ų | 110.7 | 74% | 0.737 | 60% | 0.596 | S | S | * | * | trans | -67 | 125.6 | 166.7 | -89.7 | -88.9 | 0 | 0 | 0 | 108.2 | S959 E963 | S959-F961 VanDerWaalsContact C-N 3.27Å; S959-F961 PolarHBondContact O-N 2.85Å; F961-E963 PolarHBondContact O-N 2.9Å | ||
| 962 | P | 28.7 | Very low | 35.2 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 60% | 0.597 | 63% | 0.629 | S | S | * | * | trans | -69.4 | 119.4 | 173.1 | 25.1 | -24.6 | 0 | 0 | 0 | 108.4 | S964 | P962-S964 PolarHBondContact O-N 2.84Š| ||
| 963 | E | 29.7 | Very low | 34.1 | Very low | 206 Ų | 206 | 123 Ų | 123 | 96% | 0.963 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 21.3 | -179.4 | -70.4 | -178.5 | 143 | 0 | 0 | 115.1 | F961 | F961-E963 PolarHBondContact O-N 2.9Š|
| 964 | S | 27.4 | Very low | 32.9 | Very low | 95 Ų | 95 | 127.9 Ų | 127.9 | 66% | 0.664 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | 15 | -164.1 | 60.8 | 0 | 0 | 0 | 0 | 118 | P962 | P962-S964 PolarHBondContact O-N 2.84Š|
| 965 | I | 31.5 | Very low | 31.8 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -126.4 | 5.8 | -179.9 | -53.6 | 178.4 | 0 | 0 | 0 | 114.4 | S967 | I965-S967 VanDerWaalsContact C-N 3.29Å; I965-S967 PolarHBondContact O-N 3.22Å | ||
| 966 | L | 25.8 | Very low | 30.8 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 100% | 0.995 | 72% | 0.723 | S | S | * | * | trans | -87.9 | 67.6 | 172.4 | -75.9 | 162.1 | 0 | 0 | 0 | 111.5 | ||||
| 967 | S | 25.2 | Very low | 30.2 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -138 | 128.1 | 157.8 | 62.1 | 0 | 0 | 0 | 0 | 109.4 | I965 | I965-S967 VanDerWaalsContact C-N 3.29Å; I965-S967 PolarHBondContact O-N 3.22Å | ||
| 968 | T | 25.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 80.5 | 111.6 | 162.9 | 60.3 | 0 | 0 | 0 | 0 | 118.6 | ||
| 969 | E | 25.2 | Very low | 29.7 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | 82.6 | 91 | 142.8 | -62.1 | 175.8 | -168 | 0 | 0 | 119.1 | ||||
| 970 | S | 29.8 | Very low | 29.7 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | -167.8 | 112.5 | 125 | 27.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 971 | H | 26.1 | Very low | 30 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | -70.4 | 131.6 | 165.7 | -76.5 | -74.3 | 0 | 0 | 0 | 109.6 | ||||
| 972 | E | 26.8 | Very low | 30.6 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | 162.6 | 134.1 | 123.6 | -86.5 | 173.6 | 179.1 | 0 | 0 | 111.9 | |||||
| 973 | H | 29.9 | Very low | 31.2 | Very low | 165 Ų | 165 | 143 Ų | 143 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | 89.1 | 83.3 | 168 | -61.7 | -61.6 | 0 | 0 | 0 | 121.2 | ||||
| 974 | N | 26.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | 19.3 | 108.3 | 124.4 | -62.5 | -13.6 | 0 | 0 | 0 | 119.1 | |||||
| 975 | L | 28.8 | Very low | 32.4 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | 171.6 | 125.7 | 118.1 | -93.4 | 148.4 | 0 | 0 | 0 | 110.3 | H977 | L975-H977 PolarHBondContact O-N 2.83Š| |||
| 976 | H | 28.5 | Very low | 33.1 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 84% | 0.838 | 67% | 0.67 | S | S | * | * | trans | -24.6 | 99.1 | 179.7 | -60.2 | -78.9 | 0 | 0 | 0 | 117.4 | ||||
| 977 | H | 32.3 | Very low | 33.9 | Very low | 190 Ų | 190 | 125.1 Ų | 125.1 | 88% | 0.88 | 64% | 0.639 | S | S | * | * | trans | -91.5 | 92.9 | 155 | -91.2 | -70.7 | 0 | 0 | 0 | 108.5 | L975 D979 | L975-H977 PolarHBondContact O-N 2.83Å; H977-D979 PolarHBondContact O-N 3.35Å | ||
| 978 | V | 35.7 | Very low | 34.8 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 61% | 0.606 | 63% | 0.627 | S | S | * | * | trans | -64.3 | 124.8 | 153.5 | 176.5 | 0 | 0 | 0 | 0 | 105.4 | F980 | V978-F980 PolarHBondContact O-N 2.96Š| ||
| 979 | D | 38.8 | Very low | 35.8 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 54% | 0.535 | 61% | 0.611 | S | S | . | * | trans | -49.9 | 116.5 | 179.4 | -154.5 | -5.7 | 0 | 0 | 0 | 108.5 | H977 K981 L982 Y983 | H977-D979 PolarHBondContact O-N 3.35Å; D979-K981 PolarHBondContact O-N 2.9Å; D979-L982 HydrophobicContact CB-CB 4.21Å; D979-L982 HydrophobicContact CB-CD1 3.77Å; D979-L982 HydrophobicContact CB-CG 3.99Å; D979-L982 WeakPolarHBondContact O-CA 3.35Å; D979-L982 WeakPolarHBondContact O-CB 3.14Å; D979-L982 PolarHBondContact O-N 3.1Å; D979-Y983 PolarHBondContact O-N 2.85Å; D979-Y983 VanDerWaalsContact O-N 3.1Å | ||
| 980 | F | 37.4 | Very low | 36.8 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -56.6 | -28.1 | -172.4 | -179.1 | -109.3 | 0 | 0 | 0 | 111.5 | V978 Y983 L984 | V978-F980 PolarHBondContact O-N 2.96Å; F980-Y983 PolarHBondContact O-N 3.29Å; F980-L984 HydrophobicContact CD1-CD1 3.68Å; F980-L984 HydrophobicContact CE1-CD1 3.27Å; F980-L984 HydrophobicContact CE1-CG 4.24Å; F980-L984 HydrophobicContact CE2-CD1 4.4Å; F980-L984 HydrophobicContact CG-CD1 4.42Å; F980-L984 HydrophobicContact CZ-CD1 3.67Å; F980-L984 HydrophobicContact CZ-CG 4.23Å; F980-L984 WeakPolarHBondContact O-CB 3.16Å; F980-L984 PolarHBondContact O-N 2.77Å |
| 981 | K | 38.6 | Very low | 37.3 | Very low | 120 Ų | 120 | 118 Ų | 118 | 52% | 0.522 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.2 | -45.4 | 170.1 | -169.6 | 178.1 | -179.6 | -178.4 | 0 | 112.6 | D979 Q985 | D979-K981 PolarHBondContact O-N 2.9Å; K981-Q985 VanDerWaalsContact O-CB 3.25Å; K981-Q985 WeakPolarHBondContact O-CB 3.26Å; K981-Q985 PolarHBondContact O-N 3.44Å |
| 982 | L | 44.1 | Very low | 38 | Very low | 111 Ų | 111 | 111 Ų | 111 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -38.4 | 176.5 | -71.8 | 170.4 | 0 | 0 | 0 | 111.9 | D979 Q985 A986 | D979-L982 HydrophobicContact CB-CB 4.21Å; D979-L982 HydrophobicContact CB-CD1 3.77Å; D979-L982 HydrophobicContact CB-CG 3.99Å; D979-L982 WeakPolarHBondContact O-CA 3.35Å; D979-L982 WeakPolarHBondContact O-CB 3.14Å; D979-L982 PolarHBondContact O-N 3.1Å; L982-Q985 PolarHBondContact O-N 3.04Å; L982-A986 VanDerWaalsContact O-CB 3.28Å; L982-A986 WeakPolarHBondContact O-CB 3.44Å; L982-A986 PolarHBondContact O-N 2.86Å |
| 983 | Y | 41.7 | Very low | 38.8 | Very low | 123 Ų | 123 | 109 Ų | 109 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 174.8 | 175.3 | -90 | 0 | 0 | 0 | 111.6 | D979 F980 Q985 A986 E987 | D979-Y983 PolarHBondContact O-N 2.85Å; D979-Y983 VanDerWaalsContact O-N 3.1Å; F980-Y983 PolarHBondContact O-N 3.29Å; Y983-Q985 PolarHBondContact O-N 2.75Å; Y983-A986 WeakPolarHBondContact O-CB 3.13Å; Y983-A986 PolarHBondContact O-N 2.88Å; Y983-E987 HydrophobicContact CE1-CG 4.46Å; Y983-E987 PolarHBondContact O-N 3.23Å; Y983-E987 PolarHBondContact OH-OE1 3.29Å |
| 984 | L | 37.7 | Very low | 39.2 | Very low | 23 Ų | 23 | 103.7 Ų | 103.7 | 12% | 0.12 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 177.8 | -81.2 | 167.2 | 0 | 0 | 0 | 112.1 | L953 F980 A986 E987 I988 | L953-L984 HydrophobicContact CD1-CD1 4.31Å; F980-L984 HydrophobicContact CD1-CD1 3.68Å; F980-L984 HydrophobicContact CE1-CD1 3.27Å; F980-L984 HydrophobicContact CE1-CG 4.24Å; F980-L984 HydrophobicContact CE2-CD1 4.4Å; F980-L984 HydrophobicContact CG-CD1 4.42Å; F980-L984 HydrophobicContact CZ-CD1 3.67Å; F980-L984 HydrophobicContact CZ-CG 4.23Å; F980-L984 WeakPolarHBondContact O-CB 3.16Å; F980-L984 PolarHBondContact O-N 2.77Å; L984-A986 VanDerWaalsContact C-N 3.31Å; L984-A986 PolarHBondContact O-N 2.96Å; L984-E987 PolarHBondContact O-N 3.5Å; L984-I988 WeakPolarHBondContact O-CB 3.48Å; L984-I988 WeakPolarHBondContact O-CD1 3.38Å; L984-I988 WeakPolarHBondContact O-CG1 3.29Å; L984-I988 PolarHBondContact O-N 3.39Å |
| 985 | Q | 45 | Very low | 39.8 | Very low | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 174.5 | -163.1 | 96.7 | 21.5 | 0 | 0 | 111.1 | K981 L982 Y983 I988 N989 | K981-Q985 VanDerWaalsContact O-CB 3.25Å; K981-Q985 WeakPolarHBondContact O-CB 3.26Å; K981-Q985 PolarHBondContact O-N 3.44Å; L982-Q985 PolarHBondContact O-N 3.04Å; Y983-Q985 PolarHBondContact O-N 2.75Å; Q985-I988 PolarHBondContact O-N 2.73Å; Q985-N989 VanDerWaalsContact O-CB 3.25Å; Q985-N989 WeakPolarHBondContact O-CB 3.38Å; Q985-N989 PolarHBondContact O-N 2.93Å; Q985-N989 PolarHBondContact O-ND2 2.78Å; Q985-N989 PolarHBondContact O-OD1 2.88Å |
| 986 | A | 46.3 | Very low | 40.3 | Very low | 55 Ų | 55 | 97.6 Ų | 97.6 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L982 Y983 L984 N989 Y990 | L982-A986 VanDerWaalsContact O-CB 3.28Å; L982-A986 WeakPolarHBondContact O-CB 3.44Å; L982-A986 PolarHBondContact O-N 2.86Å; Y983-A986 WeakPolarHBondContact O-CB 3.13Å; Y983-A986 PolarHBondContact O-N 2.88Å; L984-A986 VanDerWaalsContact C-N 3.31Å; L984-A986 PolarHBondContact O-N 2.96Å; A986-N989 PolarHBondContact O-N 3.05Å; A986-Y990 WeakPolarHBondContact O-CB 3.3Å; A986-Y990 PolarHBondContact O-N 2.86Å |
| 987 | E | 42.1 | Very low | 40.9 | Very low | 75 Ų | 75 | 92.6 Ų | 92.6 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 173.4 | -116.4 | -179 | -170.2 | 0 | 0 | 111.2 | Y983 L984 N989 Y990 F991 | Y983-E987 HydrophobicContact CE1-CG 4.46Å; Y983-E987 PolarHBondContact O-N 3.23Å; Y983-E987 PolarHBondContact OH-OE1 3.29Å; L984-E987 PolarHBondContact O-N 3.5Å; E987-N989 VanDerWaalsContact C-N 3.33Å; E987-N989 PolarHBondContact O-N 2.84Å; E987-Y990 PolarHBondContact O-N 3.4Å; E987-F991 HydrophobicContact CG-CE2 4.2Å; E987-F991 WeakPolarHBondContact O-CD2 3.28Å; E987-F991 PolarHBondContact O-N 3.4Å |
| 988 | I | 43.9 | Very low | 41.1 | Very low | 73 Ų | 73 | 89.2 Ų | 89.2 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.7 | -68.7 | 165.9 | 0 | 0 | 0 | 110.9 | L984 Q985 S992 | L984-I988 WeakPolarHBondContact O-CB 3.48Å; L984-I988 WeakPolarHBondContact O-CD1 3.38Å; L984-I988 WeakPolarHBondContact O-CG1 3.29Å; L984-I988 PolarHBondContact O-N 3.39Å; Q985-I988 PolarHBondContact O-N 2.73Å; I988-S992 WeakPolarHBondContact O-CB 3.48Å; I988-S992 PolarHBondContact O-N 3.13Å |
| 989 | N | 47 | Very low | 41 | Very low | 82 Ų | 82 | 89.6 Ų | 89.6 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 177.5 | -72.8 | -13.3 | 0 | 0 | 0 | 111.6 | Q985 A986 E987 F991 S992 E993 | Q985-N989 VanDerWaalsContact O-CB 3.25Å; Q985-N989 WeakPolarHBondContact O-CB 3.38Å; Q985-N989 PolarHBondContact O-N 2.93Å; Q985-N989 PolarHBondContact O-ND2 2.78Å; Q985-N989 PolarHBondContact O-OD1 2.88Å; A986-N989 PolarHBondContact O-N 3.05Å; E987-N989 VanDerWaalsContact C-N 3.33Å; E987-N989 PolarHBondContact O-N 2.84Å; N989-F991 PolarHBondContact O-N 3.27Å; N989-S992 CarbonylContact O-C 3.48Å; N989-S992 WeakPolarHBondContact O-CA 3.38Å; N989-S992 WeakPolarHBondContact O-CB 3.26Å; N989-S992 PolarHBondContact O-N 3.25Å; N989-E993 PolarHBondContact O-N 3.31Å |
| 990 | Y | 45 | Very low | 40.7 | Very low | 130 Ų | 130 | 91.9 Ų | 91.9 | 51% | 0.51 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 175.7 | 172.6 | -99.9 | 0 | 0 | 0 | 111.4 | A986 E987 S992 E993 V994 | A986-Y990 WeakPolarHBondContact O-CB 3.3Å; A986-Y990 PolarHBondContact O-N 2.86Å; E987-Y990 PolarHBondContact O-N 3.4Å; Y990-S992 PolarHBondContact O-N 2.94Å; Y990-E993 PolarHBondContact O-N 2.77Å; Y990-V994 HydrophobicContact CD1-CG2 4.36Å; Y990-V994 HydrophobicContact CD2-CG2 4.31Å; Y990-V994 HydrophobicContact CE1-CG2 3.98Å; Y990-V994 HydrophobicContact CE2-CG2 3.92Å; Y990-V994 VanDerWaalsContact O-CG2 3.3Å; Y990-V994 WeakPolarHBondContact O-CG2 3.39Å; Y990-V994 PolarHBondContact O-N 3.42Å |
| 991 | F | 40.9 | Very low | 40.5 | Very low | 87 Ų | 87 | 95 Ų | 95 | 38% | 0.382 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.9 | -28 | 175.1 | -75 | -64.8 | 0 | 0 | 0 | 112.4 | E987 N989 I995 | E987-F991 HydrophobicContact CG-CE2 4.2Å; E987-F991 WeakPolarHBondContact O-CD2 3.28Å; E987-F991 PolarHBondContact O-N 3.4Å; N989-F991 PolarHBondContact O-N 3.27Å; F991-I995 VanDerWaalsContact O-CD1 3.25Å; F991-I995 WeakPolarHBondContact O-CD1 3.4Å; F991-I995 VanDerWaalsContact O-CG1 3.24Å; F991-I995 WeakPolarHBondContact O-CG1 3.37Å |
| 992 | S | 41.2 | Very low | 40.1 | Very low | 26 Ų | 26 | 95.1 Ų | 95.1 | 18% | 0.182 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -73 | -39.2 | 173 | -153.5 | 0 | 0 | 0 | 0 | 112.5 | I988 N989 Y990 I995 Q996 K1037 | I988-S992 WeakPolarHBondContact O-CB 3.48Å; I988-S992 PolarHBondContact O-N 3.13Å; N989-S992 CarbonylContact O-C 3.48Å; N989-S992 WeakPolarHBondContact O-CA 3.38Å; N989-S992 WeakPolarHBondContact O-CB 3.26Å; N989-S992 PolarHBondContact O-N 3.25Å; Y990-S992 PolarHBondContact O-N 2.94Å; S992-I995 PolarHBondContact O-N 2.9Å; S992-Q996 WeakPolarHBondContact O-CG 3.4Å; S992-Q996 PolarHBondContact O-N 3.49Å; S992-K1037 PolarHBondContact OG-NZ 3.19Å; S992-K1037 VanDerWaalsContact OG-NZ 3.07Å |
| 993 | E | 43.3 | Very low | 39.4 | Very low | 128 Ų | 128 | 96.8 Ų | 96.8 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.2 | -38.6 | 177.6 | -79.8 | -172.9 | 165.9 | 0 | 0 | 112.8 | N989 Y990 I995 Q996 S997 | N989-E993 PolarHBondContact O-N 3.31Å; Y990-E993 PolarHBondContact O-N 2.77Å; E993-I995 PolarHBondContact O-N 2.9Å; E993-Q996 PolarHBondContact O-N 3.08Å; E993-S997 WeakPolarHBondContact O-CB 3.39Å; E993-S997 PolarHBondContact O-N 2.89Å; E993-S997 PolarHBondContact O-OG 2.83Å |
| 994 | V | 39.4 | Very low | 39 | Very low | 54 Ų | 54 | 100.5 Ų | 100.5 | 33% | 0.327 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -28.3 | 174 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | Y990 S997 N998 | Y990-V994 HydrophobicContact CD1-CG2 4.36Å; Y990-V994 HydrophobicContact CD2-CG2 4.31Å; Y990-V994 HydrophobicContact CE1-CG2 3.98Å; Y990-V994 HydrophobicContact CE2-CG2 3.92Å; Y990-V994 VanDerWaalsContact O-CG2 3.3Å; Y990-V994 WeakPolarHBondContact O-CG2 3.39Å; Y990-V994 PolarHBondContact O-N 3.42Å; V994-S997 WeakPolarHBondContact CA-OG 3.31Å; V994-S997 PolarHBondContact O-OG 2.86Å; V994-N998 PolarHBondContact O-ND2 3.19Å |
| 995 | I | 37.5 | Very low | 38.5 | Very low | 50 Ų | 50 | 108.8 Ų | 108.8 | 26% | 0.256 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -84.1 | -37.6 | 177.2 | -66.2 | 172 | 0 | 0 | 0 | 111 | F991 S992 E993 H999 Y1033 | F991-I995 VanDerWaalsContact O-CD1 3.25Å; F991-I995 WeakPolarHBondContact O-CD1 3.4Å; F991-I995 VanDerWaalsContact O-CG1 3.24Å; F991-I995 WeakPolarHBondContact O-CG1 3.37Å; S992-I995 PolarHBondContact O-N 2.9Å; E993-I995 PolarHBondContact O-N 2.9Å; I995-H999 PolarHBondContact O-CD2 2.78Å; I995-H999 VanDerWaalsContact O-CD2 3.3Å; I995-Y1033 HydrophobicContact CD1-CD1 3.87Å; I995-Y1033 HydrophobicContact CD1-CE1 3.09Å; I995-Y1033 HydrophobicContact CD1-CE2 4.28Å; I995-Y1033 VanDerWaalsContact CD1-OH 3.3Å; I995-Y1033 WeakPolarHBondContact CD1-OH 3.37Å |
| 996 | Q | 40.6 | Very low | 37.8 | Very low | 127 Ų | 127 | 115.6 Ų | 115.6 | 59% | 0.593 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71 | -33.1 | 175 | -73.9 | 177 | -6.9 | 0 | 0 | 113.4 | S992 E993 N998 H999 | S992-Q996 WeakPolarHBondContact O-CG 3.4Å; S992-Q996 PolarHBondContact O-N 3.49Å; E993-Q996 PolarHBondContact O-N 3.08Å; Q996-N998 VanDerWaalsContact C-N 3.27Å; Q996-N998 PolarHBondContact O-N 3.47Å; Q996-H999 WeakPolarHBondContact O-CA 3.33Å; Q996-H999 VanDerWaalsContact O-CB 3.31Å; Q996-H999 WeakPolarHBondContact O-CB 3.4Å; Q996-H999 PolarHBondContact O-N 3Å |
| 997 | S | 40.1 | Very low | 36.9 | Very low | 77 Ų | 77 | 120.1 Ų | 120.1 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -19.2 | 177.2 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | E993 V994 | E993-S997 WeakPolarHBondContact O-CB 3.39Å; E993-S997 PolarHBondContact O-N 2.89Å; E993-S997 PolarHBondContact O-OG 2.83Å; V994-S997 WeakPolarHBondContact CA-OG 3.31Å; V994-S997 PolarHBondContact O-OG 2.86Å |
| 998 | N | 37 | Very low | 36.2 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 63% | 0.631 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 2.1 | 168.6 | -75.2 | -50.4 | 0 | 0 | 0 | 113.3 | V994 Q996 | V994-N998 PolarHBondContact O-ND2 3.19Å; Q996-N998 VanDerWaalsContact C-N 3.27Å; Q996-N998 PolarHBondContact O-N 3.47Å |
| 999 | H | 34.5 | Very low | 35.6 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 51% | 0.505 | 63% | 0.627 | S | S | . | * | trans | -104.1 | 79.1 | 170.5 | -80.9 | -72.2 | 0 | 0 | 0 | 109.9 | I995 Q996 E1030 | I995-H999 PolarHBondContact O-CD2 2.78Å; I995-H999 VanDerWaalsContact O-CD2 3.3Å; Q996-H999 WeakPolarHBondContact O-CA 3.33Å; Q996-H999 VanDerWaalsContact O-CB 3.31Å; Q996-H999 WeakPolarHBondContact O-CB 3.4Å; Q996-H999 PolarHBondContact O-N 3Å; H999-E1030 IonicContact CE1-OE1 3.16Å; H999-E1030 PolarHBondContact CE1-OE1 3.28Å; H999-E1030 IonicContact NE2-OE1 2.72Å; H999-E1030 PolarHBondContact NE2-OE1 2.51Å | ||
| 1000 | I | 32.4 | Very low | 34.6 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | trans | -114.6 | 109.5 | 161.6 | -60.1 | 176.6 | 0 | 0 | 0 | 107.1 | ||||
| 1001 | E | 32.5 | Very low | 33.7 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | trans | -63.5 | 127.7 | 174.2 | -68.1 | -173.6 | 152.6 | 0 | 0 | 110.4 | N1003 | E1001-N1003 PolarHBondContact O-N 2.89Š| ||
| 1002 | P | 29.8 | Very low | 33.1 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 68% | 0.679 | S | S | * | * | trans | -93.4 | 80.2 | 177.4 | 35.5 | -28.9 | 0 | 0 | 0 | 109.2 | ||||
| 1003 | N | 29.6 | Very low | 32.7 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | trans | -148.5 | 82.8 | 168.7 | -87.5 | -29.9 | 0 | 0 | 0 | 110.6 | E1001 | E1001-N1003 PolarHBondContact O-N 2.89Š| ||
| 1004 | E | 32.6 | Very low | 31.9 | Very low | 202 Ų | 202 | 143 Ų | 143 | 94% | 0.944 | 71% | 0.71 | S | S | * | * | trans | -168.6 | 129.6 | 137.8 | -107.1 | 171.6 | -164.6 | 0 | 0 | 111.4 | ||||
| 1005 | K | 27.8 | Very low | 31.4 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | trans | -69.3 | 135.9 | -174.4 | -65 | 166.6 | 175.5 | 173.8 | 0 | 111 | ||||
| 1006 | R | 30.3 | Very low | 31.1 | Very low | 246 Ų | 246 | 151 Ų | 151 | 93% | 0.928 | 76% | 0.758 | S | S | * | * | trans | -163.9 | 133 | 138.1 | -106.3 | 163.4 | -164.5 | -168.3 | 5.8 | 112 | ||||
| 1007 | D | 26.6 | Very low | 30.6 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -76.4 | 146 | -162.9 | -54.1 | -67.3 | 0 | 0 | 0 | 114.5 | ||||
| 1008 | S | 28.7 | Very low | 30.4 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 150.4 | 141.4 | 118.1 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1009 | F | 30 | Very low | 30.3 | Very low | 187 Ų | 187 | 158 Ų | 158 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | trans | 91.7 | 72.8 | 168.7 | -63.6 | -77.6 | 0 | 0 | 0 | 120.2 | ||||
| 1010 | T | 27.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 159.8 Ų | 159.8 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | 16.3 | 136.5 | 125 | 52.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1011 | N | 26.4 | Very low | 30.5 | Very low | 144 Ų | 144 | 159.2 Ų | 159.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 95.4 | 88 | 157.3 | -62.1 | -14.1 | 0 | 0 | 0 | 116.2 | ||||
| 1012 | Y | 28.3 | Very low | 30.9 | Very low | 242 Ų | 242 | 155.4 Ų | 155.4 | 95% | 0.949 | 76% | 0.759 | S | S | * | * | -172.1 | 135.2 | 125.1 | -98.3 | -73.9 | 0 | 0 | 0 | 109.4 | |||||
| 1013 | Q | 31.6 | Very low | 31.2 | Very low | 195 Ų | 195 | 156.2 Ų | 156.2 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | trans | -77.4 | 124 | -166.2 | -73.7 | 170.4 | -44.4 | 0 | 0 | 114.1 | ||||
| 1014 | D | 26.7 | Very low | 31.5 | Very low | 99 Ų | 99 | 153.6 Ų | 153.6 | 53% | 0.529 | 75% | 0.746 | S | S | . | * | trans | 15.5 | 124.7 | 157 | -78.8 | -16.7 | 0 | 0 | 0 | 120.5 | K1017 | D1014-K1017 IonicContact OD2-NZ 2.98Å; D1014-K1017 PolarHBondContact OD2-NZ 2.78Å | ||
| 1015 | P | 29.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | -135.1 | 70.7 | 99.7 | 38.6 | -27 | 0 | 0 | 0 | 112.5 | |||||
| 1016 | L | 30.9 | Very low | 32.5 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | trans | -108.9 | 14.9 | 177.9 | -96.1 | 152.4 | 0 | 0 | 0 | 114.2 | ||||
| 1017 | K | 31.2 | Very low | 33.1 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 73% | 0.73 | 69% | 0.685 | S | S | * | * | trans | -92.5 | 1.7 | -172.9 | -88.7 | 175.3 | -179.4 | 143.1 | 0 | 117.6 | D1014 | D1014-K1017 IonicContact OD2-NZ 2.98Å; D1014-K1017 PolarHBondContact OD2-NZ 2.78Å | ||
| 1018 | N | 34.6 | Very low | 33.7 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 61% | 0.61 | 66% | 0.663 | S | S | * | * | trans | -101.8 | 1.5 | -172.9 | -86.8 | -12.3 | 0 | 0 | 0 | 116.9 | N1020 | N1018-N1020 VanDerWaalsContact C-N 3.29Å; N1018-N1020 PolarHBondContact O-N 2.79Å | ||
| 1019 | Y | 36.1 | Very low | 34.4 | Very low | 188 Ų | 188 | 132 Ų | 132 | 74% | 0.737 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -73 | -9.2 | -173.1 | -96 | -89.3 | 0 | 0 | 0 | 116.2 | ||
| 1020 | N | 33.5 | Very low | 35.2 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 79% | 0.786 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -90.2 | 5.1 | -178 | -73.7 | -17.4 | 0 | 0 | 0 | 115.1 | N1018 | N1018-N1020 VanDerWaalsContact C-N 3.29Å; N1018-N1020 PolarHBondContact O-N 2.79Å |
| 1021 | R | 37.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -92.6 | -1.2 | -174.8 | -78.9 | -177.6 | 177.8 | -164.7 | -6.7 | 115.9 | S919 | S919-R1021 VanDerWaalsContact O-CZ 3.22Å; S919-R1021 PolarHBondContact O-NH1 2.98Å; S919-R1021 PolarHBondContact O-NH2 2.81Å |
| 1022 | L | 41.1 | Very low | 37.1 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | trans | -112.9 | -1.4 | -160.8 | -82.8 | 151 | 0 | 0 | 0 | 116.7 | T1024 P1025 K1026 | L1022-T1024 PolarHBondContact O-N 2.68Å; L1022-P1025 WeakPolarHBondContact O-CD 3.39Å; L1022-K1026 WeakPolarHBondContact O-CB 3.31Å; L1022-K1026 PolarHBondContact O-N 2.94Å; L1022-K1026 VanDerWaalsContact O-N 3.16Å | ||
| 1023 | L | 35.7 | Very low | 37.9 | Very low | 138 Ų | 138 | 110 Ų | 110 | 72% | 0.723 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.6 | -36.7 | -167.9 | -85.7 | 126 | 0 | 0 | 0 | 115.7 | Y1027 | L1023-Y1027 PolarHBondContact O-N 2.82Å |
| 1024 | T | 35.8 | Very low | 38.8 | Very low | 91 Ų | 91 | 105.2 Ų | 105.2 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -81.5 | -44.2 | -176.7 | 18 | 0 | 0 | 0 | 0 | 114.6 | L1022 K1026 Y1027 I1028 | L1022-T1024 PolarHBondContact O-N 2.68Å; T1024-K1026 VanDerWaalsContact C-N 3.28Å; T1024-K1026 PolarHBondContact O-N 3.22Å; T1024-Y1027 PolarHBondContact O-N 3.18Å; T1024-I1028 PolarHBondContact O-N 3.08Å |
| 1025 | P | 38.9 | Very low | 39.9 | Very low | 67 Ų | 67 | 101.7 Ų | 101.7 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 171.4 | -21.5 | 32.2 | 0 | 0 | 0 | 112.4 | L1022 I1028 Y1029 | L1022-P1025 WeakPolarHBondContact O-CD 3.39Å; P1025-I1028 PolarHBondContact O-N 3.06Å; P1025-Y1029 VanDerWaalsContact O-CB 3.22Å; P1025-Y1029 WeakPolarHBondContact O-CB 3.06Å; P1025-Y1029 PolarHBondContact O-N 2.86Å |
| 1026 | K | 42.3 | Very low | 40.8 | Very low | 105 Ų | 105 | 96 Ų | 96 | 46% | 0.457 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | -179.8 | -160.4 | 179 | -172.7 | -168.5 | 0 | 112.5 | L1022 T1024 Y1029 E1030 | L1022-K1026 WeakPolarHBondContact O-CB 3.31Å; L1022-K1026 PolarHBondContact O-N 2.94Å; L1022-K1026 VanDerWaalsContact O-N 3.16Å; T1024-K1026 VanDerWaalsContact C-N 3.28Å; T1024-K1026 PolarHBondContact O-N 3.22Å; K1026-Y1029 PolarHBondContact O-N 3.37Å; K1026-E1030 WeakPolarHBondContact O-CB 3.45Å; K1026-E1030 PolarHBondContact O-N 3.41Å |
| 1027 | Y | 41.9 | Very low | 41.6 | Very low | 141 Ų | 141 | 92 Ų | 92 | 55% | 0.553 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.8 | -43.7 | 174.6 | -176.4 | -98.1 | 0 | 0 | 0 | 112.9 | L1023 T1024 Y1029 E1030 Q1031 | L1023-Y1027 PolarHBondContact O-N 2.82Å; T1024-Y1027 PolarHBondContact O-N 3.18Å; Y1027-Y1029 VanDerWaalsContact C-N 3.3Å; Y1027-Y1029 PolarHBondContact O-N 2.77Å; Y1027-E1030 PolarHBondContact O-N 2.8Å; Y1027-Q1031 HydrophobicContact CE1-CG 4.16Å; Y1027-Q1031 PolarHBondContact O-N 2.87Å; Y1027-Q1031 PolarHBondContact OH-NE2 3.36Å |
| 1028 | I | 40.7 | Very low | 42.4 | Very low | 67 Ų | 67 | 86.7 Ų | 86.7 | 34% | 0.344 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 175.8 | -64.1 | 172.5 | 0 | 0 | 0 | 110.1 | F804 T1024 P1025 F1032 | F804-I1028 HydrophobicContact CE2-CD1 3.79Å; F804-I1028 HydrophobicContact CZ-CD1 3.74Å; T1024-I1028 PolarHBondContact O-N 3.08Å; P1025-I1028 PolarHBondContact O-N 3.06Å; I1028-F1032 WeakPolarHBondContact O-CB 3.2Å; I1028-F1032 PolarHBondContact O-N 2.82Å |
| 1029 | Y | 42.5 | Very low | 43 | Very low | 60 Ų | 60 | 82.9 Ų | 82.9 | 24% | 0.235 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 176.3 | -169.1 | -90.4 | 0 | 0 | 0 | 112.6 | L912 L937 F938 P1025 K1026 Y1027 F1032 Y1033 | L912-Y1029 HydrophobicContact CD1-CE2 4.4Å; L912-Y1029 HydrophobicContact CD2-CD2 4.22Å; L912-Y1029 HydrophobicContact CD2-CE2 4.45Å; L937-Y1029 WeakPolarHBondContact CB-OH 3.47Å; L937-Y1029 HydrophobicContact CD2-CE1 3.77Å; L937-Y1029 WeakPolarHBondContact CD2-OH 3.49Å; F938-Y1029 HydrophobicContact CD2-CE2 4.45Å; F938-Y1029 HydrophobicContact CE2-CD2 4.46Å; F938-Y1029 AromaticContact CE2-CE2 3.86Å; F938-Y1029 HydrophobicContact CE2-CE2 3.86Å; P1025-Y1029 VanDerWaalsContact O-CB 3.22Å; P1025-Y1029 WeakPolarHBondContact O-CB 3.06Å; P1025-Y1029 PolarHBondContact O-N 2.86Å; K1026-Y1029 PolarHBondContact O-N 3.37Å; Y1027-Y1029 VanDerWaalsContact C-N 3.3Å; Y1027-Y1029 PolarHBondContact O-N 2.77Å; Y1029-F1032 PolarHBondContact O-N 2.83Å; Y1029-Y1033 WeakPolarHBondContact O-CB 3.32Å; Y1029-Y1033 PolarHBondContact O-N 2.83Å |
| 1030 | E | 47.6 | Very low | 43.5 | Very low | 69 Ų | 69 | 75.2 Ų | 75.2 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.8 | -84.7 | -177 | 156.4 | 0 | 0 | 111.9 | H999 K1026 Y1027 Y1033 Q1034 | H999-E1030 IonicContact CE1-OE1 3.16Å; H999-E1030 PolarHBondContact CE1-OE1 3.28Å; H999-E1030 IonicContact NE2-OE1 2.72Å; H999-E1030 PolarHBondContact NE2-OE1 2.51Å; K1026-E1030 WeakPolarHBondContact O-CB 3.45Å; K1026-E1030 PolarHBondContact O-N 3.41Å; Y1027-E1030 PolarHBondContact O-N 2.8Å; E1030-Y1033 PolarHBondContact O-N 3.02Å; E1030-Q1034 WeakPolarHBondContact O-CB 3.38Å; E1030-Q1034 WeakPolarHBondContact O-CG 3.5Å; E1030-Q1034 PolarHBondContact O-N 2.87Å |
| 1031 | Q | 45.9 | Very low | 44.3 | Very low | 91 Ų | 91 | 72 Ų | 72 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 177.1 | -73.5 | -152.9 | -22.6 | 0 | 0 | 112.5 | Y1027 Q1034 L1035 | Y1027-Q1031 HydrophobicContact CE1-CG 4.16Å; Y1027-Q1031 PolarHBondContact O-N 2.87Å; Y1027-Q1031 PolarHBondContact OH-NE2 3.36Å; Q1031-Q1034 PolarHBondContact O-N 3.37Å; Q1031-L1035 VanDerWaalsContact O-CB 3.28Å; Q1031-L1035 WeakPolarHBondContact O-CB 3.42Å; Q1031-L1035 PolarHBondContact O-N 2.84Å |
| 1032 | F | 46.9 | Very low | 44.8 | Very low | 27 Ų | 27 | 66 Ų | 66 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 177.6 | -170.5 | -103 | 0 | 0 | 0 | 112.1 | V904 F938 I1028 Y1029 L1035 C1036 | V904-F1032 HydrophobicContact CB-CZ 3.92Å; V904-F1032 HydrophobicContact CG1-CE1 3.62Å; V904-F1032 HydrophobicContact CG1-CZ 3.49Å; V904-F1032 VanDerWaalsContact CG1-CZ 3.49Å; V904-F1032 HydrophobicContact CG2-CZ 4.05Å; V904-F1032 WeakPolarHBondContact O-CZ 3.47Å; F938-F1032 HydrophobicContact CD1-CE1 4.48Å; F938-F1032 AromaticContact CE1-CD1 3.98Å; F938-F1032 HydrophobicContact CE1-CD1 3.98Å; F938-F1032 AromaticContact CE1-CE1 3.9Å; F938-F1032 HydrophobicContact CE1-CE1 3.9Å; F938-F1032 HydrophobicContact CE2-CD1 4.22Å; F938-F1032 HydrophobicContact CE2-CE1 4.46Å; F938-F1032 AromaticContact CZ-CD1 3.58Å; F938-F1032 HydrophobicContact CZ-CD1 3.58Å; F938-F1032 AromaticContact CZ-CE1 3.9Å; F938-F1032 HydrophobicContact CZ-CE1 3.9Å; I1028-F1032 WeakPolarHBondContact O-CB 3.2Å; I1028-F1032 PolarHBondContact O-N 2.82Å; Y1029-F1032 PolarHBondContact O-N 2.83Å; F1032-L1035 WeakPolarHBondContact O-CB 3.08Å; F1032-L1035 PolarHBondContact O-N 3.2Å; F1032-C1036 PolarHBondContact O-N 3.4Å; F1032-C1036 PolarHBondContact O-SG 3.25Å; F1032-C1036 VanDerWaalsContact O-SG 3.4Å |
| 1033 | Y | 46.5 | Very low | 45.2 | Very low | 39 Ų | 39 | 67.5 Ų | 67.5 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 173.1 | 178.8 | -105.7 | 0 | 0 | 0 | 112.6 | L937 F938 I995 Y1029 E1030 L1035 C1036 K1037 | L937-Y1033 HydrophobicContact CD2-CD2 3.19Å; L937-Y1033 HydrophobicContact CD2-CE2 3.36Å; L937-Y1033 HydrophobicContact CD2-CG 3.87Å; L937-Y1033 HydrophobicContact CG-CD2 4.36Å; L937-Y1033 HydrophobicContact CG-CE2 4.18Å; F938-Y1033 HydrophobicContact CZ-CD2 4.39Å; I995-Y1033 HydrophobicContact CD1-CD1 3.87Å; I995-Y1033 HydrophobicContact CD1-CE1 3.09Å; I995-Y1033 HydrophobicContact CD1-CE2 4.28Å; I995-Y1033 VanDerWaalsContact CD1-OH 3.3Å; I995-Y1033 WeakPolarHBondContact CD1-OH 3.37Å; Y1029-Y1033 WeakPolarHBondContact O-CB 3.32Å; Y1029-Y1033 PolarHBondContact O-N 2.83Å; E1030-Y1033 PolarHBondContact O-N 3.02Å; Y1033-L1035 VanDerWaalsContact C-N 3.25Å; Y1033-L1035 PolarHBondContact O-N 2.87Å; Y1033-C1036 PolarHBondContact O-N 2.86Å; Y1033-K1037 HydrophobicContact CE1-CD 4.37Å; Y1033-K1037 VanDerWaalsContact O-CB 3.29Å; Y1033-K1037 WeakPolarHBondContact O-CB 3.17Å; Y1033-K1037 PolarHBondContact O-N 3.07Å |
| 1034 | Q | 50.4 | Low | 45.6 | Very low | 94 Ų | 94 | 65.5 Ų | 65.5 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 172.5 | -73.2 | -69.7 | -7 | 0 | 0 | 111.2 | E1030 Q1031 K1037 Q1038 | E1030-Q1034 WeakPolarHBondContact O-CB 3.38Å; E1030-Q1034 WeakPolarHBondContact O-CG 3.5Å; E1030-Q1034 PolarHBondContact O-N 2.87Å; Q1031-Q1034 PolarHBondContact O-N 3.37Å; Q1034-K1037 PolarHBondContact O-N 2.85Å; Q1034-Q1038 VanDerWaalsContact O-CB 3.22Å; Q1034-Q1038 WeakPolarHBondContact O-CB 3.41Å; Q1034-Q1038 WeakPolarHBondContact O-CG 3.27Å; Q1034-Q1038 PolarHBondContact O-N 3.1Å; Q1034-Q1038 PolarHBondContact O-OE1 3.3Å |
| 1035 | L | 48.4 | Very low | 46.2 | Very low | 24 Ų | 24 | 69.7 Ų | 69.7 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 175.7 | -170.6 | 137.9 | 0 | 0 | 0 | 112.1 | Q1031 F1032 Y1033 F1039 L1054 | Q1031-L1035 VanDerWaalsContact O-CB 3.28Å; Q1031-L1035 WeakPolarHBondContact O-CB 3.42Å; Q1031-L1035 PolarHBondContact O-N 2.84Å; F1032-L1035 WeakPolarHBondContact O-CB 3.08Å; F1032-L1035 PolarHBondContact O-N 3.2Å; Y1033-L1035 VanDerWaalsContact C-N 3.25Å; Y1033-L1035 PolarHBondContact O-N 2.87Å; L1035-F1039 VanDerWaalsContact O-CB 3.3Å; L1035-F1039 WeakPolarHBondContact O-CB 3.3Å; L1035-F1039 PolarHBondContact O-N 3.19Å; L1035-L1054 HydrophobicContact CD1-CD1 3.3Å; L1035-L1054 HydrophobicContact CD1-CD2 3.49Å; L1035-L1054 VanDerWaalsContact CD1-CD2 3.49Å; L1035-L1054 HydrophobicContact CD1-CG 3.87Å |
| 1036 | C | 48 | Very low | 46.6 | Very low | 16 Ų | 16 | 70.9 Ų | 70.9 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 172.6 | -68 | 0 | 0 | 0 | 0 | 112.3 | F938 F1032 Y1033 F1039 M1040 | F938-C1036 HydrophobicContact CE1-CB 4.31Å; F1032-C1036 PolarHBondContact O-N 3.4Å; F1032-C1036 PolarHBondContact O-SG 3.25Å; F1032-C1036 VanDerWaalsContact O-SG 3.4Å; Y1033-C1036 PolarHBondContact O-N 2.86Å; C1036-F1039 WeakPolarHBondContact O-CB 3.23Å; C1036-F1039 PolarHBondContact O-N 2.93Å; C1036-M1040 WeakPolarHBondContact O-CG 3.42Å; C1036-M1040 PolarHBondContact O-N 2.9Å |
| 1037 | K | 47.5 | Very low | 46.7 | Very low | 53 Ų | 53 | 67.4 Ų | 67.4 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.1 | -172.5 | 176.2 | -179.1 | 176.6 | 0 | 111.1 | S992 Y1033 Q1034 F1039 M1040 S1041 | S992-K1037 PolarHBondContact OG-NZ 3.19Å; S992-K1037 VanDerWaalsContact OG-NZ 3.07Å; Y1033-K1037 HydrophobicContact CE1-CD 4.37Å; Y1033-K1037 VanDerWaalsContact O-CB 3.29Å; Y1033-K1037 WeakPolarHBondContact O-CB 3.17Å; Y1033-K1037 PolarHBondContact O-N 3.07Å; Q1034-K1037 PolarHBondContact O-N 2.85Å; K1037-F1039 VanDerWaalsContact C-N 3.34Å; K1037-M1040 PolarHBondContact O-N 3.42Å; K1037-S1041 PolarHBondContact O-N 3.31Å; K1037-S1041 PolarHBondContact O-OG 3.3Å; K1037-S1041 VanDerWaalsContact O-OG 3.05Å |
| 1038 | Q | 48.1 | Very low | 47 | Very low | 55 Ų | 55 | 67.5 Ų | 67.5 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -35.8 | 176.5 | -73.6 | 168.2 | -23.6 | 0 | 0 | 112 | Q1034 M1040 S1041 C1042 V1050 | Q1034-Q1038 VanDerWaalsContact O-CB 3.22Å; Q1034-Q1038 WeakPolarHBondContact O-CB 3.41Å; Q1034-Q1038 WeakPolarHBondContact O-CG 3.27Å; Q1034-Q1038 PolarHBondContact O-N 3.1Å; Q1034-Q1038 PolarHBondContact O-OE1 3.3Å; Q1038-M1040 PolarHBondContact O-N 3.19Å; Q1038-S1041 PolarHBondContact O-N 2.8Å; Q1038-C1042 VanDerWaalsContact CA-SG 3.55Å; Q1038-C1042 WeakPolarHBondContact O-CB 3.38Å; Q1038-C1042 PolarHBondContact O-N 2.91Å; Q1038-C1042 PolarHBondContact O-SG 2.75Å; Q1038-V1050 HydrophobicContact CB-CG2 4.01Å; Q1038-V1050 HydrophobicContact CG-CG2 4.05Å |
| 1039 | F | 47.4 | Very low | 47.3 | Very low | 34 Ų | 34 | 72.8 Ų | 72.8 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -34 | 175.7 | -162.7 | -105.6 | 0 | 0 | 0 | 112.6 | L822 H825 V826 R829 V900 L1035 C1036 K1037 | L822-F1039 HydrophobicContact CD2-CD2 3.64Å; L822-F1039 HydrophobicContact CD2-CE2 3.13Å; L822-F1039 HydrophobicContact CD2-CZ 3.64Å; L822-F1039 HydrophobicContact CG-CE2 4.44Å; H825-F1039 HydrophobicContact CB-CZ 4.24Å; H825-F1039 AromaticContact CE1-CE1 3.48Å; H825-F1039 VanDerWaalsContact CE1-CE1 3.48Å; H825-F1039 WeakPolarHBondContact CE1-CE1 3.34Å; H825-F1039 AromaticContact CE1-CZ 3.43Å; H825-F1039 VanDerWaalsContact CE1-CZ 3.43Å; H825-F1039 WeakPolarHBondContact CE1-CZ 3.25Å; H825-F1039 AromaticContact CG-CZ 3.7Å; H825-F1039 AromaticContact ND1-CE1 3.6Å; H825-F1039 AromaticContact ND1-CE2 3.81Å; H825-F1039 AromaticContact ND1-CZ 3.02Å; H825-F1039 WeakPolarHBondContact ND1-CZ 3.39Å; V826-F1039 HydrophobicContact CG2-CE2 4.34Å; R829-F1039 PolarHBondContact NH1-O 2.96Å; V900-F1039 HydrophobicContact CG1-CE1 4.19Å; V900-F1039 HydrophobicContact CG1-CZ 4.05Å; V900-F1039 HydrophobicContact CG2-CZ 4.45Å; L1035-F1039 VanDerWaalsContact O-CB 3.3Å; L1035-F1039 WeakPolarHBondContact O-CB 3.3Å; L1035-F1039 PolarHBondContact O-N 3.19Å; C1036-F1039 WeakPolarHBondContact O-CB 3.23Å; C1036-F1039 PolarHBondContact O-N 2.93Å; K1037-F1039 VanDerWaalsContact C-N 3.34Å |
| 1040 | M | 47.6 | Very low | 47.2 | Very low | 28 Ų | 28 | 70.7 Ų | 70.7 | 14% | 0.138 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -93.8 | -10.1 | -176.3 | -56 | -47.4 | -121.8 | 0 | 0 | 114.7 | L943 M946 L947 T950 C1036 K1037 Q1038 | L943-M1040 VanDerWaalsContact O-CE 3.29Å; L943-M1040 WeakPolarHBondContact O-CE 3.11Å; M946-M1040 VanDerWaalsContact C-CE 3.44Å; M946-M1040 HydrophobicContact CB-CE 3.15Å; M946-M1040 HydrophobicContact CB-CG 4.07Å; M946-M1040 HydrophobicContact CB-SD 4.35Å; M946-M1040 HydrophobicContact CE-CB 3.39Å; M946-M1040 HydrophobicContact CE-CG 3.44Å; M946-M1040 VanDerWaalsContact CE-CG 3.44Å; M946-M1040 HydrophobicContact CG-CE 4.4Å; M946-M1040 HydrophobicContact SD-CG 4.06Å; L947-M1040 HydrophobicContact CB-CE 3.98Å; T950-M1040 HydrophobicContact CG2-CB 4.38Å; T950-M1040 WeakPolarHBondContact CG2-O 3.49Å; C1036-M1040 WeakPolarHBondContact O-CG 3.42Å; C1036-M1040 PolarHBondContact O-N 2.9Å; K1037-M1040 PolarHBondContact O-N 3.42Å; Q1038-M1040 PolarHBondContact O-N 3.19Å |
| 1041 | S | 49.6 | Very low | 47 | Very low | 78 Ų | 78 | 70.9 Ų | 70.9 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -126.6 | -7.5 | -173.5 | 69.9 | 0 | 0 | 0 | 0 | 116.2 | K1037 Q1038 | K1037-S1041 PolarHBondContact O-N 3.31Å; K1037-S1041 PolarHBondContact O-OG 3.3Å; K1037-S1041 VanDerWaalsContact O-OG 3.05Å; Q1038-S1041 PolarHBondContact O-N 2.8Å |
| 1042 | C | 47.4 | Very low | 47.1 | Very low | 10 Ų | 10 | 69.6 Ų | 69.6 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | trans | -104.5 | 139.4 | -160.8 | -72.2 | 0 | 0 | 0 | 0 | 116.5 | Q1038 E1046 I1047 | Q1038-C1042 VanDerWaalsContact CA-SG 3.55Å; Q1038-C1042 WeakPolarHBondContact O-CB 3.38Å; Q1038-C1042 PolarHBondContact O-N 2.91Å; Q1038-C1042 PolarHBondContact O-SG 2.75Å; C1042-E1046 HydrophobicContact CB-CB 3.9Å; C1042-E1046 PolarHBondContact SG-OE2 3.25Å; C1042-I1047 HydrophobicContact CB-CG1 4.11Å | ||
| 1043 | D | 49.2 | Very low | 46.8 | Very low | 131 Ų | 131 | 73.1 Ų | 73.1 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | trans | -65.5 | 153.7 | 163.3 | -103 | -22.8 | 0 | 0 | 0 | 112.2 | K1045 E1046 I1047 | D1043-K1045 PolarHBondContact O-N 3.46Å; D1043-E1046 PolarHBondContact O-N 2.67Å; D1043-I1047 PolarHBondContact O-N 3.27Å | ||
| 1044 | H | 44.5 | Very low | 46.3 | Very low | 95 Ų | 95 | 73.8 Ų | 73.8 | 44% | 0.44 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -49.6 | -32.4 | -177.3 | -170.6 | -32.8 | 0 | 0 | 0 | 114.4 | K1048 | H1044-K1048 PolarHBondContact O-N 3.46Å |
| 1045 | K | 49.7 | Very low | 45.8 | Very low | 179 Ų | 179 | 75.9 Ų | 75.9 | 78% | 0.778 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.6 | -32.3 | 179.5 | -74.4 | 179.7 | -178.9 | 170.2 | 0 | 113 | D1043 | D1043-K1045 PolarHBondContact O-N 3.46Å |
| 1046 | E | 46.9 | Very low | 45 | Very low | 92 Ų | 92 | 87.4 Ų | 87.4 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -78.3 | -38.8 | 179.6 | -65.9 | -172.5 | 152.9 | 0 | 0 | 110.4 | C1042 D1043 K1048 R1049 V1050 | C1042-E1046 HydrophobicContact CB-CB 3.9Å; C1042-E1046 PolarHBondContact SG-OE2 3.25Å; D1043-E1046 PolarHBondContact O-N 2.67Å; E1046-K1048 VanDerWaalsContact C-N 3.29Å; E1046-K1048 PolarHBondContact O-N 2.81Å; E1046-R1049 CarbonylContact O-C 3.59Å; E1046-R1049 WeakPolarHBondContact O-CA 3.44Å; E1046-R1049 VanDerWaalsContact O-CB 3.29Å; E1046-R1049 WeakPolarHBondContact O-CB 3.46Å; E1046-R1049 PolarHBondContact O-N 3.26Å; E1046-V1050 WeakPolarHBondContact O-CG2 3.43Å; E1046-V1050 PolarHBondContact O-N 2.7Å |
| 1047 | I | 45 | Very low | 44.9 | Very low | 33 Ų | 33 | 91 Ų | 91 | 17% | 0.169 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 175.3 | -60.7 | 173.9 | 0 | 0 | 0 | 111.7 | C1042 D1043 R1049 V1050 I1051 | C1042-I1047 HydrophobicContact CB-CG1 4.11Å; D1043-I1047 PolarHBondContact O-N 3.27Å; I1047-R1049 VanDerWaalsContact C-N 3.3Å; I1047-R1049 PolarHBondContact O-N 3.42Å; I1047-V1050 PolarHBondContact O-N 2.92Å; I1047-V1050 VanDerWaalsContact O-N 3.16Å; I1047-I1051 HydrophobicContact CG2-CD1 3.96Å; I1047-I1051 HydrophobicContact CG2-CG1 4.44Å; I1047-I1051 WeakPolarHBondContact O-CG1 3.44Å; I1047-I1051 PolarHBondContact O-N 3.19Å |
| 1048 | K | 47.6 | Very low | 44.7 | Very low | 143 Ų | 143 | 92.9 Ų | 92.9 | 62% | 0.622 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.5 | -34.8 | 172.5 | -87.9 | -176.4 | 174.9 | 175.7 | 0 | 113.1 | H1044 E1046 S1052 | H1044-K1048 PolarHBondContact O-N 3.46Å; E1046-K1048 VanDerWaalsContact C-N 3.29Å; E1046-K1048 PolarHBondContact O-N 2.81Å; K1048-S1052 WeakPolarHBondContact O-CB 3.41Å; K1048-S1052 PolarHBondContact O-N 3Å |
| 1049 | R | 45.8 | Very low | 44.5 | Very low | 177 Ų | 177 | 95.1 Ų | 95.1 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.4 | -38.4 | 173.8 | -75.7 | 178.5 | 170.3 | 164.9 | -3.2 | 111.5 | E1046 I1047 S1052 L1053 | E1046-R1049 CarbonylContact O-C 3.59Å; E1046-R1049 WeakPolarHBondContact O-CA 3.44Å; E1046-R1049 VanDerWaalsContact O-CB 3.29Å; E1046-R1049 WeakPolarHBondContact O-CB 3.46Å; E1046-R1049 PolarHBondContact O-N 3.26Å; I1047-R1049 VanDerWaalsContact C-N 3.3Å; I1047-R1049 PolarHBondContact O-N 3.42Å; R1049-S1052 WeakPolarHBondContact CA-OG 3.2Å; R1049-S1052 CarbonylContact O-C 3.54Å; R1049-S1052 PolarHBondContact O-N 2.94Å; R1049-S1052 PolarHBondContact O-OG 3.07Å; R1049-L1053 WeakPolarHBondContact O-CB 3.38Å; R1049-L1053 PolarHBondContact O-N 3.34Å |
| 1050 | V | 40.6 | Very low | 44.4 | Very low | 16 Ų | 16 | 98.6 Ų | 98.6 | 10% | 0.097 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | Q1038 E1046 I1047 S1052 L1053 L1054 | Q1038-V1050 HydrophobicContact CB-CG2 4.01Å; Q1038-V1050 HydrophobicContact CG-CG2 4.05Å; E1046-V1050 WeakPolarHBondContact O-CG2 3.43Å; E1046-V1050 PolarHBondContact O-N 2.7Å; I1047-V1050 PolarHBondContact O-N 2.92Å; I1047-V1050 VanDerWaalsContact O-N 3.16Å; V1050-S1052 VanDerWaalsContact C-N 3.28Å; V1050-S1052 PolarHBondContact O-N 3.03Å; V1050-L1053 WeakPolarHBondContact O-CB 3.38Å; V1050-L1053 PolarHBondContact O-N 3.14Å; V1050-L1053 VanDerWaalsContact O-N 3.1Å; V1050-L1054 HydrophobicContact CG1-CD1 4.02Å; V1050-L1054 WeakPolarHBondContact O-CG 3.38Å; V1050-L1054 PolarHBondContact O-N 3.47Å |
| 1051 | I | 44 | Very low | 44.2 | Very low | 73 Ų | 73 | 103.1 Ų | 103.1 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 173.1 | -66.4 | 167.1 | 0 | 0 | 0 | 110.7 | I1047 L1053 L1054 N1055 | I1047-I1051 HydrophobicContact CG2-CD1 3.96Å; I1047-I1051 HydrophobicContact CG2-CG1 4.44Å; I1047-I1051 WeakPolarHBondContact O-CG1 3.44Å; I1047-I1051 PolarHBondContact O-N 3.19Å; I1051-L1053 VanDerWaalsContact C-N 3.34Å; I1051-L1053 PolarHBondContact O-N 3.28Å; I1051-L1054 PolarHBondContact O-N 3.13Å; I1051-N1055 PolarHBondContact O-N 3.28Å; I1051-N1055 VanDerWaalsContact O-N 3.11Å; I1051-N1055 PolarHBondContact O-ND2 2.95Å |
| 1052 | S | 47.8 | Very low | 43.8 | Very low | 65 Ų | 65 | 104.7 Ų | 104.7 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -31.1 | 175.5 | 78.4 | 0 | 0 | 0 | 0 | 114 | K1048 R1049 V1050 | K1048-S1052 WeakPolarHBondContact O-CB 3.41Å; K1048-S1052 PolarHBondContact O-N 3Å; R1049-S1052 WeakPolarHBondContact CA-OG 3.2Å; R1049-S1052 CarbonylContact O-C 3.54Å; R1049-S1052 PolarHBondContact O-N 2.94Å; R1049-S1052 PolarHBondContact O-OG 3.07Å; V1050-S1052 VanDerWaalsContact C-N 3.28Å; V1050-S1052 PolarHBondContact O-N 3.03Å |
| 1053 | L | 40.9 | Very low | 43.5 | Very low | 100 Ų | 100 | 111.5 Ų | 111.5 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76.1 | -31.1 | 177.9 | -90.3 | 159.5 | 0 | 0 | 0 | 111.8 | R1049 V1050 I1051 R1056 | R1049-L1053 WeakPolarHBondContact O-CB 3.38Å; R1049-L1053 PolarHBondContact O-N 3.34Å; V1050-L1053 WeakPolarHBondContact O-CB 3.38Å; V1050-L1053 PolarHBondContact O-N 3.14Å; V1050-L1053 VanDerWaalsContact O-N 3.1Å; I1051-L1053 VanDerWaalsContact C-N 3.34Å; I1051-L1053 PolarHBondContact O-N 3.28Å; L1053-R1056 VanDerWaalsContact O-OXT 3.05Å |
| 1054 | L | 35.1 | Very low | 43.1 | Very low | 53 Ų | 53 | 110 Ų | 110 | 28% | 0.277 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.4 | -31.1 | 175 | -73 | 161.3 | 0 | 0 | 0 | 113.3 | Y819 L1035 V1050 I1051 R1056 | Y819-L1054 HydrophobicContact CE1-CB 4.36Å; Y819-L1054 HydrophobicContact CE1-CD1 3.92Å; L1035-L1054 HydrophobicContact CD1-CD1 3.3Å; L1035-L1054 HydrophobicContact CD1-CD2 3.49Å; L1035-L1054 VanDerWaalsContact CD1-CD2 3.49Å; L1035-L1054 HydrophobicContact CD1-CG 3.87Å; V1050-L1054 HydrophobicContact CG1-CD1 4.02Å; V1050-L1054 WeakPolarHBondContact O-CG 3.38Å; V1050-L1054 PolarHBondContact O-N 3.47Å; I1051-L1054 PolarHBondContact O-N 3.13Å; L1054-R1056 PolarHBondContact O-N 3.05Å |
| 1055 | N | 40.3 | Very low | 43 | Very low | 139 Ų | 139 | 111.3 Ų | 111.3 | 74% | 0.743 | 51% | 0.511 | S | S | * | . | trans | -71.7 | -8.8 | 172.8 | -80.3 | -28.7 | 0 | 0 | 0 | 113.3 | I1051 | I1051-N1055 PolarHBondContact O-N 3.28Å; I1051-N1055 VanDerWaalsContact O-N 3.11Å; I1051-N1055 PolarHBondContact O-ND2 2.95Å | ||
| 1056 | R | 32 | Very low | 42.4 | Very low | 265 Ų | 265 | 105.1 Ų | 105.1 | 100% | 1 | 49% | 0.487 | S | S | * | . | trans | -113.5 | 0 | -172.9 | -158.2 | -177.1 | -166.9 | -172.2 | 3.1 | 110.5 | L1053 L1054 | L1053-R1056 VanDerWaalsContact O-OXT 3.05Å; L1054-R1056 PolarHBondContact O-N 3.05Å |
Retrieved 1,056 of 1,056 residues in 1624 ms
(Link to these results)