| 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 | 24.1 | Very low | 63.1 | Low | 237 Ų | 237 | 78.5 Ų | 78.5 | 100% | 1.167 | 43% | 0.429 | S | S | * | . | 0 | 123.9 | 0 | -69.5 | 164.8 | 172.4 | 0 | 0 | 105.7 | |||||
| 2 | T | 30.3 | Very low | 65.9 | Low | 99 Ų | 99 | 78.4 Ų | 78.4 | 61% | 0.607 | 44% | 0.435 | S | S | * | . | trans | -71.2 | 148.8 | 175.5 | 40.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | S | 45.2 | Very low | 68.4 | Low | 30 Ų | 30 | 79.8 Ų | 79.8 | 21% | 0.21 | 45% | 0.447 | C | S | . | . | trans | -43.7 | 134.1 | 170.8 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | Q5 L6 E142 | S3-Q5 PolarHBondContact O-N 3.17Å; S3-L6 PolarHBondContact O-N 3.15Å; S3-E142 WeakPolarHBondContact CA-OE1 3.45Å; S3-E142 PolarHBondContact N-OE1 2.71Å | ||
| 4 | P | 46.6 | Very low | 70.5 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 58% | 0.584 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -4.6 | -177.4 | 27 | -35.4 | 0 | 0 | 0 | 113.8 | S7 | P4-S7 PolarHBondContact O-OG 2.81Š|
| 5 | Q | 51.6 | Low | 72.3 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -26.4 | 169.2 | -57.8 | -175.9 | 5.8 | 0 | 0 | 112.9 | S3 M78 C373 | S3-Q5 PolarHBondContact O-N 3.17Å; Q5-M78 HydrophobicContact CB-CE 4.41Å; Q5-M78 HydrophobicContact CG-CE 4Å; Q5-C373 WeakPolarHBondContact O-CB 3.47Å; Q5-C373 PolarHBondContact O-SG 2.98Å |
| 6 | L | 57.1 | Low | 73.9 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 37% | 0.372 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -14.4 | -176.9 | -69.5 | 169.8 | 0 | 0 | 0 | 113.5 | S3 F8 C373 | S3-L6 PolarHBondContact O-N 3.15Å; L6-F8 PolarHBondContact O-N 3.46Å; L6-C373 HydrophobicContact CD2-CB 4.21Å |
| 7 | S | 70.6 | Confident | 75.4 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | trans | -81.3 | 110.5 | 174 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | P4 | P4-S7 PolarHBondContact O-OG 2.81Š| ||
| 8 | F | 87.3 | Confident | 76.6 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | trans | -88.3 | 135.5 | 167.5 | 174.6 | -115.4 | 0 | 0 | 0 | 111.1 | L6 K10 E365 K366 W369 | L6-F8 PolarHBondContact O-N 3.46Å; F8-K10 HydrophobicContact CE1-CB 4.01Å; F8-K10 HydrophobicContact CZ-CB 4.15Å; F8-E365 HydrophobicContact CE1-CG 3.63Å; F8-E365 HydrophobicContact CZ-CG 3.84Å; F8-E365 WeakPolarHBondContact CZ-OE1 3.44Å; F8-K366 HydrophobicContact CD1-CG 4.25Å; F8-W369 HydrophobicContact CB-CB 3.97Å; F8-W369 HydrophobicContact CB-CG 4.37Å; F8-W369 AromaticContact CD1-CD1 3.91Å; F8-W369 HydrophobicContact CD2-CB 4.2Å; F8-W369 AromaticContact CD2-CD1 3.2Å; F8-W369 HydrophobicContact CD2-CD2 4.4Å; F8-W369 AromaticContact CD2-CG 3.68Å; F8-W369 HydrophobicContact CD2-CG 3.68Å; F8-W369 AromaticContact CD2-NE1 3.65Å; F8-W369 AromaticContact CE1-CD1 3.95Å; F8-W369 AromaticContact CE2-CD1 3.26Å; F8-W369 HydrophobicContact CE2-CG 4.12Å; F8-W369 AromaticContact CE2-NE1 3.25Å; F8-W369 VanDerWaalsContact CE2-NE1 3.25Å; F8-W369 HydrophobicContact CG-CB 4.1Å; F8-W369 AromaticContact CG-CD1 3.54Å; F8-W369 AromaticContact CG-CG 4Å; F8-W369 HydrophobicContact CG-CG 4Å; F8-W369 AromaticContact CZ-CD1 3.63Å; F8-W369 AromaticContact CZ-NE1 3.68Å | ||
| 9 | T | 90.7 | Very high | 77.7 | Confident | 85 Ų | 85 | 67.3 Ų | 67.3 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | trans | -123.1 | 124 | 166.7 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | T530 M533 | T9-T530 PolarHBondContact N-OG1 3.43Å; T9-M533 WeakPolarHBondContact O-CE 3.41Å | ||
| 10 | K | 94 | Very high | 78.6 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 126.1 | -178.2 | -170.7 | 160.7 | -178.6 | 151.8 | 0 | 110.3 | F8 D362 E365 T541 | F8-K10 HydrophobicContact CE1-CB 4.01Å; F8-K10 HydrophobicContact CZ-CB 4.15Å; K10-D362 IonicContact NZ-OD1 3.7Å; K10-D362 PolarHBondContact NZ-OD1 3.18Å; K10-E365 WeakPolarHBondContact CD-OE2 3.21Å; K10-E365 WeakPolarHBondContact CE-OE2 3.01Å; K10-E365 IonicContact NZ-OE2 3.2Å; K10-E365 PolarHBondContact NZ-OE2 2.98Å; K10-T541 HydrophobicContact CG-CG2 4.19Å |
| 11 | P | 96.3 | Very high | 79.2 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 4% | 0.039 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 163.4 | 177.2 | -23.8 | 34.7 | 0 | 0 | 0 | 113 | Y491 P529 M533 I539 T541 | P11-Y491 HydrophobicContact CG-CD1 4.08Å; P11-Y491 HydrophobicContact CG-CE1 4.35Å; P11-P529 HydrophobicContact CG-CB 3.79Å; P11-P529 HydrophobicContact CG-CG 4.36Å; P11-M533 HydrophobicContact CB-CE 4.3Å; P11-M533 HydrophobicContact CB-SD 3.94Å; P11-M533 HydrophobicContact CG-CE 3.93Å; P11-M533 HydrophobicContact CG-SD 4.12Å; P11-I539 HydrophobicContact CB-CB 4.47Å; P11-I539 HydrophobicContact CB-CG2 4.06Å; P11-I539 HydrophobicContact CG-CG2 3.89Å; P11-T541 HydrophobicContact CB-CG2 4.35Å; P11-T541 WeakPolarHBondContact O-CG2 3.5Å |
| 12 | P | 97.2 | Very high | 82.5 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 147.2 | 169.3 | -22.6 | 33.9 | 0 | 0 | 0 | 112.3 | Y540 T541 | P12-Y540 HydrophobicContact CB-CD1 4.08Å; P12-Y540 HydrophobicContact CB-CE1 4.33Å; P12-Y540 CarbonylContact O-C 3.55Å; P12-Y540 WeakPolarHBondContact O-CA 3.3Å; P12-T541 PolarHBondContact O-N 2.62Å |
| 13 | V | 97.8 | Very high | 85.5 | Confident | 97 Ų | 97 | 59.1 Ų | 59.1 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | B | Isolated β-bridge | trans | -77.5 | 133.9 | -175.7 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | T541 | V13-T541 CarbonylContact C-O 3.5Å; V13-T541 VanDerWaalsContact CA-O 3.3Å; V13-T541 WeakPolarHBondContact CA-O 3.44Å; V13-T541 HydrophobicContact CG2-CG2 4.32Å |
| 14 | A | 97.9 | Very high | 87.9 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 159.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V16 I43 T541 V542 | A14-V16 PolarHBondContact O-N 2.98Å; A14-I43 HydrophobicContact CB-CG1 4.01Å; A14-T541 PolarHBondContact N-O 3.44Å; A14-V542 HydrophobicContact CB-CB 4.29Å |
| 15 | P | 98.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 14% | 0.143 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 139.3 | -178.3 | -23.1 | 33.3 | 0 | 0 | 0 | 113 | Y38 F41 V44 K45 | P15-Y38 HydrophobicContact CB-CD1 3.79Å; P15-Y38 HydrophobicContact CB-CE1 3.99Å; P15-Y38 HydrophobicContact CB-CG 4.24Å; P15-Y38 HydrophobicContact CG-CD1 3.55Å; P15-Y38 HydrophobicContact CG-CE1 4.12Å; P15-Y38 HydrophobicContact CG-CG 4.13Å; P15-F41 VanDerWaalsContact CD-CG 3.45Å; P15-F41 HydrophobicContact CG-CD1 4.21Å; P15-F41 HydrophobicContact CG-CD2 3.4Å; P15-F41 VanDerWaalsContact CG-CD2 3.4Å; P15-F41 HydrophobicContact CG-CE1 4.24Å; P15-F41 HydrophobicContact CG-CE2 3.44Å; P15-F41 VanDerWaalsContact CG-CE2 3.44Å; P15-F41 HydrophobicContact CG-CG 3.81Å; P15-F41 HydrophobicContact CG-CZ 3.88Å; P15-V44 HydrophobicContact CB-CG2 4.25Å; P15-K45 PolarHBondContact O-N 2.76Å |
| 16 | V | 98.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.1 | 169 | -173.1 | 0 | 0 | 0 | 0 | 107.6 | A14 F18 K45 V47 V542 | A14-V16 PolarHBondContact O-N 2.98Å; V16-F18 HydrophobicContact CB-CE2 4.46Å; V16-F18 HydrophobicContact CG1-CE2 3.9Å; V16-F18 HydrophobicContact CG1-CZ 3.93Å; V16-K45 CarbonylContact C-O 3.58Å; V16-K45 WeakPolarHBondContact CA-O 3.5Å; V16-K45 HydrophobicContact CG2-CB 4.39Å; V16-V47 HydrophobicContact CG1-CG2 3.65Å; V16-V542 HydrophobicContact CG2-CG2 4.28Å |
| 17 | V | 98.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.8 | -175.9 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | Y30 L34 Y38 V44 K45 I46 V47 | V17-Y30 HydrophobicContact CG2-CE1 4.27Å; V17-Y30 WeakPolarHBondContact CG2-OH 3.47Å; V17-L34 HydrophobicContact CB-CD2 4.41Å; V17-L34 HydrophobicContact CG1-CD2 4.1Å; V17-L34 HydrophobicContact CG2-CD1 4.33Å; V17-L34 HydrophobicContact CG2-CD2 3.96Å; V17-Y38 HydrophobicContact CG1-CD2 4.33Å; V17-Y38 HydrophobicContact CG1-CE2 3.68Å; V17-V44 HydrophobicContact CG1-CG2 4.04Å; V17-V44 HydrophobicContact CG2-CG2 4.06Å; V17-K45 PolarHBondContact N-O 3.47Å; V17-I46 HydrophobicContact CG2-CB 4.15Å; V17-I46 HydrophobicContact CG2-CG1 3.79Å; V17-I46 HydrophobicContact CG2-CG2 4.23Å; V17-V47 PolarHBondContact O-N 3.38Å |
| 18 | F | 97.8 | Very high | 95 | Very high | 146 Ų | 146 | 51.7 Ų | 51.7 | 64% | 0.64 | 31% | 0.307 | S | S | * | . | trans | -123.9 | 84.8 | -176.2 | -59.3 | -95.8 | 0 | 0 | 0 | 107.8 | V16 V47 | V16-F18 HydrophobicContact CB-CE2 4.46Å; V16-F18 HydrophobicContact CG1-CE2 3.9Å; V16-F18 HydrophobicContact CG1-CZ 3.93Å; F18-V47 HydrophobicContact CD1-CB 3.69Å; F18-V47 HydrophobicContact CD1-CG1 3.95Å; F18-V47 HydrophobicContact CD1-CG2 4.3Å; F18-V47 HydrophobicContact CE1-CB 3.69Å; F18-V47 HydrophobicContact CE1-CG1 3.82Å; F18-V47 HydrophobicContact CE1-CG2 3.85Å; F18-V47 HydrophobicContact CG-CB 4.5Å; F18-V47 HydrophobicContact CZ-CB 4.5Å; F18-V47 HydrophobicContact CZ-CG2 4.23Å | ||
| 19 | P | 97.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | trans | -57.5 | 140 | 177.9 | 19.7 | -31.7 | 0 | 0 | 0 | 111.8 | E23 F24 Y30 I46 V47 | P19-E23 HydrophobicContact CB-CB 3.93Å; P19-F24 HydrophobicContact CB-CB 4.23Å; P19-F24 HydrophobicContact CB-CD2 4.22Å; P19-F24 HydrophobicContact CG-CB 4.49Å; P19-F24 HydrophobicContact CG-CD2 3.66Å; P19-F24 HydrophobicContact CG-CE2 4.36Å; P19-F24 HydrophobicContact CG-CG 4.48Å; P19-Y30 HydrophobicContact CB-CE1 3.9Å; P19-Y30 HydrophobicContact CB-CE2 4.03Å; P19-Y30 WeakPolarHBondContact CD-OH 3.43Å; P19-Y30 HydrophobicContact CG-CE1 4.04Å; P19-I46 HydrophobicContact CG-CG2 3.79Å; P19-V47 WeakPolarHBondContact CD-O 3.27Å | ||
| 20 | T | 95.5 | Very high | 95.5 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | trans | -63.4 | 160.6 | 162.3 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | A22 E23 F24 | T20-A22 PolarHBondContact O-N 2.98Å; T20-A22 VanDerWaalsContact O-N 3.12Å; T20-E23 WeakPolarHBondContact CB-OE2 2.96Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.05Å; T20-E23 PolarHBondContact N-OE2 2.8Å; T20-E23 PolarHBondContact O-N 3.28Å; T20-E23 VanDerWaalsContact O-N 3.16Å; T20-E23 WeakPolarHBondContact OG1-CG 3.3Å; T20-E23 PolarHBondContact OG1-N 3.02Å; T20-E23 PolarHBondContact OG1-OE2 2.87Å; T20-F24 WeakPolarHBondContact O-CB 3.5Å; T20-F24 PolarHBondContact O-N 3.17Å | ||
| 21 | A | 91.3 | Very high | 95.5 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S25 | A21-S25 PolarHBondContact O-N 3.42Š|
| 22 | A | 93.2 | Very high | 95.3 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 60% | 0.603 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -48.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T20 F24 S25 | T20-A22 PolarHBondContact O-N 2.98Å; T20-A22 VanDerWaalsContact O-N 3.12Å; A22-F24 VanDerWaalsContact C-N 3.27Å; A22-F24 PolarHBondContact O-N 3.33Å; A22-S25 WeakPolarHBondContact O-CB 3.34Å; A22-S25 PolarHBondContact O-N 2.97Å; A22-S25 VanDerWaalsContact O-N 3.09Å; A22-S25 PolarHBondContact O-OG 3.11Å |
| 23 | E | 94.3 | Very high | 95.1 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -60.3 | -37.6 | 173.3 | -75 | 164.6 | 114.8 | 0 | 0 | 111.8 | P19 T20 S25 Y30 | P19-E23 HydrophobicContact CB-CB 3.93Å; T20-E23 WeakPolarHBondContact CB-OE2 2.96Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.05Å; T20-E23 PolarHBondContact N-OE2 2.8Å; T20-E23 PolarHBondContact O-N 3.28Å; T20-E23 VanDerWaalsContact O-N 3.16Å; T20-E23 WeakPolarHBondContact OG1-CG 3.3Å; T20-E23 PolarHBondContact OG1-N 3.02Å; T20-E23 PolarHBondContact OG1-OE2 2.87Å; E23-S25 PolarHBondContact O-N 2.78Å; E23-Y30 HydrophobicContact CB-CD2 3.7Å; E23-Y30 HydrophobicContact CB-CE2 3.85Å; E23-Y30 HydrophobicContact CG-CD2 4.06Å; E23-Y30 HydrophobicContact CG-CE2 4.07Å; E23-Y30 WeakPolarHBondContact OE1-CE2 3.4Å |
| 24 | F | 95 | Very high | 95.1 | Very high | 21 Ų | 21 | 42 Ų | 42 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -74.2 | -0.4 | 177.5 | -154.1 | -108.9 | 0 | 0 | 0 | 113.6 | P19 T20 A22 P48 P49 W52 W430 F549 | P19-F24 HydrophobicContact CB-CB 4.23Å; P19-F24 HydrophobicContact CB-CD2 4.22Å; P19-F24 HydrophobicContact CG-CB 4.49Å; P19-F24 HydrophobicContact CG-CD2 3.66Å; P19-F24 HydrophobicContact CG-CE2 4.36Å; P19-F24 HydrophobicContact CG-CG 4.48Å; T20-F24 WeakPolarHBondContact O-CB 3.5Å; T20-F24 PolarHBondContact O-N 3.17Å; A22-F24 VanDerWaalsContact C-N 3.27Å; A22-F24 PolarHBondContact O-N 3.33Å; F24-P48 HydrophobicContact CE1-CB 4.49Å; F24-P48 HydrophobicContact CE2-CB 4.08Å; F24-P48 HydrophobicContact CE2-CG 4.36Å; F24-P48 HydrophobicContact CZ-CB 3.82Å; F24-P48 HydrophobicContact CZ-CG 4.2Å; F24-P49 HydrophobicContact CB-CG 3.6Å; F24-P49 HydrophobicContact CD1-CG 3.81Å; F24-P49 HydrophobicContact CD2-CG 4.15Å; F24-P49 VanDerWaalsContact CG-CD 3.45Å; F24-P49 HydrophobicContact CG-CG 3.6Å; F24-W52 AromaticContact CE1-CD2 3.86Å; F24-W52 HydrophobicContact CE1-CD2 3.86Å; F24-W52 AromaticContact CE1-CE3 3.79Å; F24-W52 HydrophobicContact CE1-CE3 3.79Å; F24-W52 HydrophobicContact CE1-CG 4.21Å; F24-W52 HydrophobicContact CE1-CZ3 4.34Å; F24-W52 HydrophobicContact CZ-CD2 4.13Å; F24-W52 HydrophobicContact CZ-CE3 4.46Å; F24-W52 HydrophobicContact CZ-CG 4.32Å; F24-W430 AromaticContact CD1-CD1 3.72Å; F24-W430 HydrophobicContact CD1-CG 4.44Å; F24-W430 AromaticContact CD1-NE1 3.63Å; F24-W430 HydrophobicContact CD2-CD2 4.06Å; F24-W430 AromaticContact CD2-CE2 3.38Å; F24-W430 HydrophobicContact CD2-CH2 4.23Å; F24-W430 AromaticContact CD2-CZ2 3.49Å; F24-W430 HydrophobicContact CD2-CZ2 3.49Å; F24-W430 VanDerWaalsContact CD2-CZ2 3.49Å; F24-W430 AromaticContact CD2-NE1 3.47Å; F24-W430 HydrophobicContact CE1-CB 4.38Å; F24-W430 AromaticContact CE1-CD1 3.48Å; F24-W430 VanDerWaalsContact CE1-CD1 3.48Å; F24-W430 HydrophobicContact CE1-CD2 4.26Å; F24-W430 AromaticContact CE1-CG 3.81Å; F24-W430 HydrophobicContact CE1-CG 3.81Å; F24-W430 AromaticContact CE1-NE1 3.76Å; F24-W430 AromaticContact CE2-CD1 3.97Å; F24-W430 AromaticContact CE2-CD2 3.46Å; F24-W430 HydrophobicContact CE2-CD2 3.46Å; F24-W430 VanDerWaalsContact CE2-CD2 3.46Å; F24-W430 AromaticContact CE2-CE2 3.3Å; F24-W430 AromaticContact CE2-CE3 3.9Å; F24-W430 HydrophobicContact CE2-CE3 3.9Å; F24-W430 AromaticContact CE2-CG 3.91Å; F24-W430 HydrophobicContact CE2-CG 3.91Å; F24-W430 HydrophobicContact CE2-CH2 4.06Å; F24-W430 AromaticContact CE2-CZ2 3.64Å; F24-W430 HydrophobicContact CE2-CZ2 3.64Å; F24-W430 HydrophobicContact CE2-CZ3 4.17Å; F24-W430 AromaticContact CE2-NE1 3.61Å; F24-W430 AromaticContact CG-CE2 3.92Å; F24-W430 HydrophobicContact CG-CZ2 4.3Å; F24-W430 AromaticContact CG-NE1 3.48Å; F24-W430 HydrophobicContact CZ-CB 4.11Å; F24-W430 AromaticContact CZ-CD1 3.61Å; F24-W430 AromaticContact CZ-CD2 3.58Å; F24-W430 HydrophobicContact CZ-CD2 3.58Å; F24-W430 AromaticContact CZ-CE2 3.77Å; F24-W430 HydrophobicContact CZ-CE3 4.2Å; F24-W430 AromaticContact CZ-CG 3.51Å; F24-W430 HydrophobicContact CZ-CG 3.51Å; F24-W430 AromaticContact CZ-NE1 3.75Å; F24-W430 PolarHBondContact O-NE1 2.61Å; F24-F549 HydrophobicContact CZ-CE2 4.26Å |
| 25 | S | 93.1 | Very high | 94.9 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 59% | 0.594 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -79 | -32.3 | 177.2 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | A21 A22 E23 | A21-S25 PolarHBondContact O-N 3.42Å; A22-S25 WeakPolarHBondContact O-CB 3.34Å; A22-S25 PolarHBondContact O-N 2.97Å; A22-S25 VanDerWaalsContact O-N 3.09Å; A22-S25 PolarHBondContact O-OG 3.11Å; E23-S25 PolarHBondContact O-N 2.78Å |
| 26 | N | 92.9 | Very high | 94.5 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | trans | -125.8 | 109.7 | 174.3 | -176.7 | -51.8 | 0 | 0 | 0 | 110.5 | F28 S29 Y30 E440 | N26-F28 PolarHBondContact O-N 2.67Å; N26-F28 PolarHBondContact OD1-N 2.85Å; N26-S29 WeakPolarHBondContact OD1-CB 3.48Å; N26-S29 PolarHBondContact OD1-N 2.79Å; N26-Y30 PolarHBondContact O-N 3.03Å; N26-E440 PolarHBondContact ND2-OE1 3.38Å | ||
| 27 | P | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 179.8 | -20.6 | 30 | 0 | 0 | 0 | 114.2 | Y30 F31 P429 W430 L435 | P27-Y30 CarbonylContact O-C 3.53Å; P27-Y30 WeakPolarHBondContact O-CB 2.89Å; P27-Y30 PolarHBondContact O-N 3.1Å; P27-F31 HydrophobicContact CB-CD2 4.39Å; P27-F31 HydrophobicContact CB-CE1 4.38Å; P27-F31 HydrophobicContact CB-CE2 3.65Å; P27-F31 HydrophobicContact CB-CZ 3.65Å; P27-F31 WeakPolarHBondContact O-CD1 3.35Å; P27-F31 WeakPolarHBondContact O-CD2 3.41Å; P27-F31 WeakPolarHBondContact O-CG 3.39Å; P27-F31 PolarHBondContact O-N 3.41Å; P27-P429 HydrophobicContact CG-CB 3.87Å; P27-P429 HydrophobicContact CG-CG 4.18Å; P27-W430 HydrophobicContact CB-CD2 4.28Å; P27-W430 HydrophobicContact CB-CH2 4.25Å; P27-W430 HydrophobicContact CB-CZ2 3.91Å; P27-W430 HydrophobicContact CG-CD2 4.03Å; P27-W430 HydrophobicContact CG-CG 4.18Å; P27-W430 HydrophobicContact CG-CZ2 4.22Å; P27-L435 HydrophobicContact CB-CD1 3.6Å; P27-L435 HydrophobicContact CG-CD1 3.68Å |
| 28 | F | 94.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.7 | -42.1 | -172.2 | -68.6 | -89.3 | 0 | 0 | 0 | 112.4 | N26 Y30 F31 R32 L435 S438 E440 P575 | N26-F28 PolarHBondContact O-N 2.67Å; N26-F28 PolarHBondContact OD1-N 2.85Å; F28-Y30 VanDerWaalsContact C-N 3.28Å; F28-Y30 PolarHBondContact O-N 2.8Å; F28-F31 HydrophobicContact CD1-CD2 4.35Å; F28-F31 PolarHBondContact O-N 3.13Å; F28-R32 PolarHBondContact O-N 3.14Å; F28-L435 HydrophobicContact CD2-CD1 4.38Å; F28-L435 HydrophobicContact CE2-CD1 3.55Å; F28-L435 HydrophobicContact CE2-CG 4.49Å; F28-L435 HydrophobicContact CZ-CD1 3.89Å; F28-L435 HydrophobicContact CZ-CG 4.39Å; F28-L435 WeakPolarHBondContact CZ-O 3.05Å; F28-S438 VanDerWaalsContact CE2-CB 3.46Å; F28-S438 WeakPolarHBondContact CE2-OG 3.42Å; F28-E440 HydrophobicContact CB-CB 4.04Å; F28-E440 WeakPolarHBondContact CB-OE2 3.47Å; F28-E440 HydrophobicContact CD1-CB 4Å; F28-E440 WeakPolarHBondContact CD1-O 3.18Å; F28-E440 HydrophobicContact CD2-CB 3.62Å; F28-E440 HydrophobicContact CE1-CB 4.41Å; F28-E440 WeakPolarHBondContact CE1-O 3.29Å; F28-E440 HydrophobicContact CE2-CB 4.08Å; F28-E440 HydrophobicContact CG-CB 3.59Å; F28-E440 HydrophobicContact CZ-CB 4.46Å; F28-P575 HydrophobicContact CD1-CB 4.12Å; F28-P575 HydrophobicContact CD1-CG 4.13Å; F28-P575 HydrophobicContact CE1-CG 4.33Å |
| 29 | S | 91.2 | Very high | 94.1 | Very high | 71 Ų | 71 | 48.6 Ų | 48.6 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.7 | -45 | 168.1 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | N26 R32 S33 | N26-S29 WeakPolarHBondContact OD1-CB 3.48Å; N26-S29 PolarHBondContact OD1-N 2.79Å; S29-R32 PolarHBondContact O-N 3.48Å; S29-S33 PolarHBondContact O-N 2.86Å |
| 30 | Y | 95.5 | Very high | 94 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 176.3 | -166.1 | -119.5 | 0 | 0 | 0 | 112.4 | V17 P19 E23 N26 P27 F28 R32 S33 L34 I46 W430 | V17-Y30 HydrophobicContact CG2-CE1 4.27Å; V17-Y30 WeakPolarHBondContact CG2-OH 3.47Å; P19-Y30 HydrophobicContact CB-CE1 3.9Å; P19-Y30 HydrophobicContact CB-CE2 4.03Å; P19-Y30 WeakPolarHBondContact CD-OH 3.43Å; P19-Y30 HydrophobicContact CG-CE1 4.04Å; E23-Y30 HydrophobicContact CB-CD2 3.7Å; E23-Y30 HydrophobicContact CB-CE2 3.85Å; E23-Y30 HydrophobicContact CG-CD2 4.06Å; E23-Y30 HydrophobicContact CG-CE2 4.07Å; E23-Y30 WeakPolarHBondContact OE1-CE2 3.4Å; N26-Y30 PolarHBondContact O-N 3.03Å; P27-Y30 CarbonylContact O-C 3.53Å; P27-Y30 WeakPolarHBondContact O-CB 2.89Å; P27-Y30 PolarHBondContact O-N 3.1Å; F28-Y30 VanDerWaalsContact C-N 3.28Å; F28-Y30 PolarHBondContact O-N 2.8Å; Y30-R32 VanDerWaalsContact C-N 3.35Å; Y30-R32 PolarHBondContact O-N 3.43Å; Y30-S33 CarbonylContact O-C 3.28Å; Y30-S33 WeakPolarHBondContact O-CA 3.34Å; Y30-S33 WeakPolarHBondContact O-CB 3.39Å; Y30-S33 PolarHBondContact O-N 2.86Å; Y30-S33 PolarHBondContact O-OG 3.25Å; Y30-L34 HydrophobicContact CD1-CD1 3.84Å; Y30-L34 HydrophobicContact CD1-CG 4.12Å; Y30-L34 HydrophobicContact CE1-CD1 3.63Å; Y30-L34 HydrophobicContact CE1-CD2 4Å; Y30-L34 HydrophobicContact CE1-CG 3.96Å; Y30-L34 HydrophobicContact CE2-CD2 4.34Å; Y30-L34 WeakPolarHBondContact O-CG 3.24Å; Y30-L34 PolarHBondContact O-N 2.84Å; Y30-I46 HydrophobicContact CD1-CD1 4.5Å; Y30-I46 HydrophobicContact CE1-CD1 4.32Å; Y30-I46 HydrophobicContact CE1-CG2 4.13Å; Y30-W430 HydrophobicContact CD1-CH2 4.12Å; Y30-W430 HydrophobicContact CD1-CZ2 4.35Å |
| 31 | F | 95.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -41 | 178 | -59.6 | -30.1 | 0 | 0 | 0 | 112.4 | P27 F28 S33 L34 K35 I46 W430 L435 I479 L551 L573 | P27-F31 HydrophobicContact CB-CD2 4.39Å; P27-F31 HydrophobicContact CB-CE1 4.38Å; P27-F31 HydrophobicContact CB-CE2 3.65Å; P27-F31 HydrophobicContact CB-CZ 3.65Å; P27-F31 WeakPolarHBondContact O-CD1 3.35Å; P27-F31 WeakPolarHBondContact O-CD2 3.41Å; P27-F31 WeakPolarHBondContact O-CG 3.39Å; P27-F31 PolarHBondContact O-N 3.41Å; F28-F31 HydrophobicContact CD1-CD2 4.35Å; F28-F31 PolarHBondContact O-N 3.13Å; F31-S33 VanDerWaalsContact C-N 3.33Å; F31-S33 PolarHBondContact O-N 3.14Å; F31-L34 PolarHBondContact O-N 3.32Å; F31-L34 VanDerWaalsContact O-N 3.11Å; F31-K35 PolarHBondContact O-N 3.06Å; F31-I46 HydrophobicContact CE1-CD1 4.17Å; F31-W430 HydrophobicContact CD1-CH2 4.49Å; F31-W430 AromaticContact CE1-CH2 3.59Å; F31-W430 HydrophobicContact CE1-CH2 3.59Å; F31-W430 AromaticContact CE1-CZ3 3.68Å; F31-W430 HydrophobicContact CE1-CZ3 3.68Å; F31-W430 HydrophobicContact CZ-CH2 4.03Å; F31-W430 AromaticContact CZ-CZ3 3.87Å; F31-W430 HydrophobicContact CZ-CZ3 3.87Å; F31-L435 HydrophobicContact CE2-CD1 4.23Å; F31-L435 HydrophobicContact CE2-CD2 4.35Å; F31-L435 HydrophobicContact CZ-CD2 4.21Å; F31-I479 HydrophobicContact CE1-CD1 4.07Å; F31-I479 HydrophobicContact CZ-CD1 3.79Å; F31-L551 HydrophobicContact CB-CD2 4.45Å; F31-L551 HydrophobicContact CD1-CD1 4.22Å; F31-L551 HydrophobicContact CD1-CD2 3.68Å; F31-L551 HydrophobicContact CE1-CD1 4.18Å; F31-L551 HydrophobicContact CE1-CD2 4.27Å; F31-L551 HydrophobicContact CG-CD2 4.25Å; F31-L573 HydrophobicContact CD2-CD1 4.24Å; F31-L573 HydrophobicContact CE2-CD1 3.57Å; F31-L573 HydrophobicContact CZ-CD1 4.14Å |
| 32 | R | 91.4 | Very high | 94.4 | Very high | 61 Ų | 61 | 48 Ų | 48 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 171.9 | -173.3 | -179 | -61.5 | 131.6 | 9.5 | 111.5 | F28 S29 Y30 L34 K35 L36 E616 | F28-R32 PolarHBondContact O-N 3.14Å; S29-R32 PolarHBondContact O-N 3.48Å; Y30-R32 VanDerWaalsContact C-N 3.35Å; Y30-R32 PolarHBondContact O-N 3.43Å; R32-L34 PolarHBondContact O-N 3.19Å; R32-K35 PolarHBondContact O-N 3.41Å; R32-L36 PolarHBondContact O-N 3.06Å; R32-E616 VanDerWaalsContact NH1-CG 3.28Å; R32-E616 VanDerWaalsContact NH2-CG 3.32Å |
| 33 | S | 93.7 | Very high | 94.7 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 24% | 0.238 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -28.9 | 175.7 | 91.7 | 0 | 0 | 0 | 0 | 112.9 | S29 Y30 F31 R37 | S29-S33 PolarHBondContact O-N 2.86Å; Y30-S33 CarbonylContact O-C 3.28Å; Y30-S33 WeakPolarHBondContact O-CA 3.34Å; Y30-S33 WeakPolarHBondContact O-CB 3.39Å; Y30-S33 PolarHBondContact O-N 2.86Å; Y30-S33 PolarHBondContact O-OG 3.25Å; F31-S33 VanDerWaalsContact C-N 3.33Å; F31-S33 PolarHBondContact O-N 3.14Å; S33-R37 WeakPolarHBondContact O-CG 3.41Å; S33-R37 PolarHBondContact O-NE 3.31Å; S33-R37 PolarHBondContact OG-NH2 2.89Å |
| 34 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79.6 | -40.3 | 176.1 | -65 | -176.7 | 0 | 0 | 0 | 111.8 | V17 Y30 F31 R32 L36 R37 Y38 V44 I46 L551 F553 | V17-L34 HydrophobicContact CB-CD2 4.41Å; V17-L34 HydrophobicContact CG1-CD2 4.1Å; V17-L34 HydrophobicContact CG2-CD1 4.33Å; V17-L34 HydrophobicContact CG2-CD2 3.96Å; Y30-L34 HydrophobicContact CD1-CD1 3.84Å; Y30-L34 HydrophobicContact CD1-CG 4.12Å; Y30-L34 HydrophobicContact CE1-CD1 3.63Å; Y30-L34 HydrophobicContact CE1-CD2 4Å; Y30-L34 HydrophobicContact CE1-CG 3.96Å; Y30-L34 HydrophobicContact CE2-CD2 4.34Å; Y30-L34 WeakPolarHBondContact O-CG 3.24Å; Y30-L34 PolarHBondContact O-N 2.84Å; F31-L34 PolarHBondContact O-N 3.32Å; F31-L34 VanDerWaalsContact O-N 3.11Å; R32-L34 PolarHBondContact O-N 3.19Å; L34-L36 PolarHBondContact O-N 3.49Å; L34-R37 PolarHBondContact O-N 3.24Å; L34-Y38 HydrophobicContact CB-CD2 4.29Å; L34-Y38 HydrophobicContact CD2-CD2 3.73Å; L34-Y38 HydrophobicContact CD2-CE2 3.71Å; L34-Y38 WeakPolarHBondContact O-CA 3.44Å; L34-Y38 WeakPolarHBondContact O-CB 3.22Å; L34-Y38 PolarHBondContact O-N 3.19Å; L34-V44 HydrophobicContact CD1-CG1 4.08Å; L34-I46 HydrophobicContact CD1-CD1 3.63Å; L34-I46 HydrophobicContact CD1-CG1 3.94Å; L34-L551 HydrophobicContact CD1-CD2 4.19Å; L34-F553 HydrophobicContact CB-CZ 4.15Å |
| 35 | K | 94 | Very high | 95 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.7 | -55.9 | 175.3 | -169.3 | -159.5 | -172.8 | 79.4 | 0 | 110.5 | F31 R32 R37 Y38 E39 Y477 F553 D577 | F31-K35 PolarHBondContact O-N 3.06Å; R32-K35 PolarHBondContact O-N 3.41Å; K35-R37 PolarHBondContact O-N 2.79Å; K35-Y38 PolarHBondContact O-N 2.98Å; K35-E39 WeakPolarHBondContact CE-OE1 3.34Å; K35-E39 HydrophobicContact CG-CB 4.07Å; K35-E39 HydrophobicContact CG-CG 4.33Å; K35-E39 WeakPolarHBondContact CG-OE1 3.37Å; K35-E39 IonicContact NZ-OE1 3.63Å; K35-E39 PolarHBondContact NZ-OE1 2.98Å; K35-E39 WeakPolarHBondContact O-CB 3.48Å; K35-E39 PolarHBondContact O-N 3.02Å; K35-Y477 WeakPolarHBondContact CD-OH 3.15Å; K35-Y477 WeakPolarHBondContact CG-OH 3.44Å; K35-Y477 PolarHBondContact NZ-OH 3.35Å; K35-F553 VanDerWaalsContact CA-CE1 3.4Å; K35-F553 HydrophobicContact CB-CD1 4.32Å; K35-F553 HydrophobicContact CB-CE1 3.88Å; K35-F553 HydrophobicContact CG-CD1 4.29Å; K35-F553 HydrophobicContact CG-CE1 4.34Å; K35-D577 WeakPolarHBondContact CD-OD2 3.48Å; K35-D577 VanDerWaalsContact CE-OD2 3.26Å; K35-D577 WeakPolarHBondContact CE-OD2 3.49Å; K35-D577 IonicContact NZ-OD2 3.96Å; K35-D577 PolarHBondContact NZ-OD2 3.18Å |
| 36 | L | 89.7 | Confident | 95.3 | Very high | 139 Ų | 139 | 37.3 Ų | 37.3 | 73% | 0.728 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -55.9 | -29.2 | -179.3 | -174 | 64.3 | 0 | 0 | 0 | 113.8 | R32 L34 | R32-L36 PolarHBondContact O-N 3.06Å; L34-L36 PolarHBondContact O-N 3.49Å |
| 37 | R | 93.7 | Very high | 95.5 | Very high | 104 Ų | 104 | 36.1 Ų | 36.1 | 39% | 0.392 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -95.7 | -33.9 | -178.4 | -70.2 | -175.4 | -81.1 | -176.6 | -7.7 | 113.8 | S33 L34 K35 | S33-R37 WeakPolarHBondContact O-CG 3.41Å; S33-R37 PolarHBondContact O-NE 3.31Å; S33-R37 PolarHBondContact OG-NH2 2.89Å; L34-R37 PolarHBondContact O-N 3.24Å; K35-R37 PolarHBondContact O-N 2.79Å |
| 38 | Y | 97 | Very high | 95.6 | Very high | 54 Ų | 54 | 36.8 Ų | 36.8 | 21% | 0.212 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -136.2 | -0.9 | -158.6 | -51.5 | -59.6 | 0 | 0 | 0 | 115.9 | P15 V17 L34 K35 K40 F41 V44 | P15-Y38 HydrophobicContact CB-CD1 3.79Å; P15-Y38 HydrophobicContact CB-CE1 3.99Å; P15-Y38 HydrophobicContact CB-CG 4.24Å; P15-Y38 HydrophobicContact CG-CD1 3.55Å; P15-Y38 HydrophobicContact CG-CE1 4.12Å; P15-Y38 HydrophobicContact CG-CG 4.13Å; V17-Y38 HydrophobicContact CG1-CD2 4.33Å; V17-Y38 HydrophobicContact CG1-CE2 3.68Å; L34-Y38 HydrophobicContact CB-CD2 4.29Å; L34-Y38 HydrophobicContact CD2-CD2 3.73Å; L34-Y38 HydrophobicContact CD2-CE2 3.71Å; L34-Y38 WeakPolarHBondContact O-CA 3.44Å; L34-Y38 WeakPolarHBondContact O-CB 3.22Å; L34-Y38 PolarHBondContact O-N 3.19Å; K35-Y38 PolarHBondContact O-N 2.98Å; Y38-K40 PolarHBondContact O-N 3.47Å; Y38-K40 VanDerWaalsContact O-N 3.08Å; Y38-F41 HydrophobicContact CD1-CD2 4.3Å; Y38-F41 HydrophobicContact CD1-CE2 4.1Å; Y38-F41 WeakPolarHBondContact O-CB 3.37Å; Y38-F41 WeakPolarHBondContact O-CD2 3.49Å; Y38-F41 PolarHBondContact O-N 3.3Å; Y38-V44 HydrophobicContact CD2-CG2 4.36Å |
| 39 | E | 95 | Very high | 95.6 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -54 | -33.3 | 179.1 | -179.5 | 166 | -122.1 | 0 | 0 | 113.4 | K35 F41 G42 S494 F553 | K35-E39 WeakPolarHBondContact CE-OE1 3.34Å; K35-E39 HydrophobicContact CG-CB 4.07Å; K35-E39 HydrophobicContact CG-CG 4.33Å; K35-E39 WeakPolarHBondContact CG-OE1 3.37Å; K35-E39 IonicContact NZ-OE1 3.63Å; K35-E39 PolarHBondContact NZ-OE1 2.98Å; K35-E39 WeakPolarHBondContact O-CB 3.48Å; K35-E39 PolarHBondContact O-N 3.02Å; E39-F41 PolarHBondContact O-N 3.01Å; E39-G42 PolarHBondContact O-N 3.18Å; E39-S494 WeakPolarHBondContact O-CB 3.43Å; E39-F553 HydrophobicContact CB-CD1 4.39Å; E39-F553 HydrophobicContact CB-CG 4.33Å; E39-F553 HydrophobicContact CG-CB 4.28Å; E39-F553 HydrophobicContact CG-CG 4.31Å |
| 40 | K | 95.6 | Very high | 95.4 | Very high | 113 Ų | 113 | 44.4 Ų | 44.4 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -57.2 | -16.8 | 174.4 | 69.3 | -176.4 | 178.9 | -175.4 | 0 | 115.5 | Y38 S494 M496 | Y38-K40 PolarHBondContact O-N 3.47Å; Y38-K40 VanDerWaalsContact O-N 3.08Å; K40-S494 VanDerWaalsContact C-CB 3.43Å; K40-S494 WeakPolarHBondContact O-CB 3.39Å; K40-S494 PolarHBondContact O-OG 3.25Å; K40-M496 HydrophobicContact CB-CE 4.19Å; K40-M496 HydrophobicContact CB-SD 3.98Å |
| 41 | F | 97.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -93.4 | -12 | 175.7 | -61.9 | -84 | 0 | 0 | 0 | 113.6 | P15 Y38 E39 I43 Y540 | P15-F41 VanDerWaalsContact CD-CG 3.45Å; P15-F41 HydrophobicContact CG-CD1 4.21Å; P15-F41 HydrophobicContact CG-CD2 3.4Å; P15-F41 VanDerWaalsContact CG-CD2 3.4Å; P15-F41 HydrophobicContact CG-CE1 4.24Å; P15-F41 HydrophobicContact CG-CE2 3.44Å; P15-F41 VanDerWaalsContact CG-CE2 3.44Å; P15-F41 HydrophobicContact CG-CG 3.81Å; P15-F41 HydrophobicContact CG-CZ 3.88Å; Y38-F41 HydrophobicContact CD1-CD2 4.3Å; Y38-F41 HydrophobicContact CD1-CE2 4.1Å; Y38-F41 WeakPolarHBondContact O-CB 3.37Å; Y38-F41 WeakPolarHBondContact O-CD2 3.49Å; Y38-F41 PolarHBondContact O-N 3.3Å; E39-F41 PolarHBondContact O-N 3.01Å; F41-I43 PolarHBondContact O-N 3.17Å; F41-Y540 HydrophobicContact CB-CD2 4.06Å; F41-Y540 HydrophobicContact CB-CE2 4.37Å; F41-Y540 HydrophobicContact CB-CG 4.46Å; F41-Y540 AromaticContact CD1-CD1 3.65Å; F41-Y540 HydrophobicContact CD1-CD1 3.65Å; F41-Y540 AromaticContact CD1-CD2 3.82Å; F41-Y540 HydrophobicContact CD1-CD2 3.82Å; F41-Y540 AromaticContact CD1-CE1 3.57Å; F41-Y540 HydrophobicContact CD1-CE1 3.57Å; F41-Y540 AromaticContact CD1-CE2 3.72Å; F41-Y540 HydrophobicContact CD1-CE2 3.72Å; F41-Y540 AromaticContact CD1-CG 3.78Å; F41-Y540 HydrophobicContact CD1-CG 3.78Å; F41-Y540 AromaticContact CD1-CZ 3.61Å; F41-Y540 HydrophobicContact CE1-CD1 4.11Å; F41-Y540 AromaticContact CE1-CE1 3.74Å; F41-Y540 HydrophobicContact CE1-CE1 3.74Å; F41-Y540 AromaticContact CE1-CZ 3.97Å; F41-Y540 HydrophobicContact CG-CD2 4.4Å; F41-Y540 HydrophobicContact CG-CE2 4.39Å |
| 42 | G | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 74.4 | -35.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E39 F553 A556 | E39-G42 PolarHBondContact O-N 3.18Å; G42-F553 WeakPolarHBondContact O-CD2 3.5Å; G42-F553 PolarHBondContact O-N 3.18Å; G42-A556 WeakPolarHBondContact O-CB 3.02Å |
| 43 | I | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.8 | 174.9 | 66.4 | 178.9 | 0 | 0 | 0 | 111.5 | A14 F41 W490 V542 V550 L551 T552 H558 | A14-I43 HydrophobicContact CB-CG1 4.01Å; F41-I43 PolarHBondContact O-N 3.17Å; I43-W490 HydrophobicContact CD1-CB 3.85Å; I43-V542 HydrophobicContact CD1-CG1 3.93Å; I43-V550 HydrophobicContact CB-CG1 4.39Å; I43-L551 WeakPolarHBondContact CA-O 3.29Å; I43-T552 HydrophobicContact CG2-CG2 3.96Å; I43-H558 HydrophobicContact CG2-CB 4.29Å |
| 44 | V | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 139.2 | 172.2 | 58.8 | 0 | 0 | 0 | 0 | 110 | P15 V17 L34 Y38 L551 F553 | P15-V44 HydrophobicContact CB-CG2 4.25Å; V17-V44 HydrophobicContact CG1-CG2 4.04Å; V17-V44 HydrophobicContact CG2-CG2 4.06Å; L34-V44 HydrophobicContact CD1-CG1 4.08Å; Y38-V44 HydrophobicContact CD2-CG2 4.36Å; V44-L551 HydrophobicContact CG1-CB 3.9Å; V44-L551 HydrophobicContact CG1-CD2 4.14Å; V44-L551 HydrophobicContact CG1-CG 4.49Å; V44-L551 PolarHBondContact N-O 3.02Å; V44-L551 PolarHBondContact O-N 3.47Å; V44-F553 HydrophobicContact CB-CE2 4.25Å; V44-F553 HydrophobicContact CG1-CE2 3.77Å; V44-F553 HydrophobicContact CG1-CZ 3.81Å |
| 45 | K | 98.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126 | 175.7 | -172.9 | 173.7 | 73.7 | 162.4 | 0 | 110.5 | P15 V16 V17 V542 M543 Q548 F549 V550 | P15-K45 PolarHBondContact O-N 2.76Å; V16-K45 CarbonylContact C-O 3.58Å; V16-K45 WeakPolarHBondContact CA-O 3.5Å; V16-K45 HydrophobicContact CG2-CB 4.39Å; V17-K45 PolarHBondContact N-O 3.47Å; K45-V542 HydrophobicContact CB-CG1 4.3Å; K45-V542 HydrophobicContact CB-CG2 3.79Å; K45-V542 HydrophobicContact CD-CG2 3.93Å; K45-V542 HydrophobicContact CG-CG2 4.45Å; K45-M543 WeakPolarHBondContact CD-O 3.36Å; K45-M543 WeakPolarHBondContact CE-O 3.28Å; K45-M543 PolarHBondContact NZ-O 3.09Å; K45-Q548 HydrophobicContact CD-CB 4.4Å; K45-Q548 VanDerWaalsContact CD-OE1 3.29Å; K45-Q548 VanDerWaalsContact CE-OE1 3.27Å; K45-F549 CarbonylContact C-O 3.58Å; K45-F549 WeakPolarHBondContact CA-O 3.18Å; K45-F549 WeakPolarHBondContact CG-O 3.36Å; K45-V550 HydrophobicContact CB-CG2 4.48Å; K45-V550 HydrophobicContact CG-CG2 4.31Å |
| 46 | I | 98.6 | Very high | 91 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.9 | 177.5 | -49.4 | 171.9 | 0 | 0 | 0 | 107.9 | V17 P19 Y30 F31 L34 P48 W430 F549 L551 | V17-I46 HydrophobicContact CG2-CB 4.15Å; V17-I46 HydrophobicContact CG2-CG1 3.79Å; V17-I46 HydrophobicContact CG2-CG2 4.23Å; P19-I46 HydrophobicContact CG-CG2 3.79Å; Y30-I46 HydrophobicContact CD1-CD1 4.5Å; Y30-I46 HydrophobicContact CE1-CD1 4.32Å; Y30-I46 HydrophobicContact CE1-CG2 4.13Å; F31-I46 HydrophobicContact CE1-CD1 4.17Å; L34-I46 HydrophobicContact CD1-CD1 3.63Å; L34-I46 HydrophobicContact CD1-CG1 3.94Å; I46-P48 WeakPolarHBondContact O-CD 3.5Å; I46-W430 HydrophobicContact CD1-CH2 4.11Å; I46-W430 HydrophobicContact CD1-CZ3 4.17Å; I46-F549 HydrophobicContact CB-CB 4.23Å; I46-F549 PolarHBondContact N-O 3.22Å; I46-F549 PolarHBondContact O-N 3.32Å; I46-L551 HydrophobicContact CD1-CB 4.34Å |
| 47 | V | 98 | Very high | 89.8 | Confident | 25 Ų | 25 | 44 Ų | 44 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | trans | -97.9 | 112.2 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | V16 V17 F18 P19 Q548 | V16-V47 HydrophobicContact CG1-CG2 3.65Å; V17-V47 PolarHBondContact O-N 3.38Å; F18-V47 HydrophobicContact CD1-CB 3.69Å; F18-V47 HydrophobicContact CD1-CG1 3.95Å; F18-V47 HydrophobicContact CD1-CG2 4.3Å; F18-V47 HydrophobicContact CE1-CB 3.69Å; F18-V47 HydrophobicContact CE1-CG1 3.82Å; F18-V47 HydrophobicContact CE1-CG2 3.85Å; F18-V47 HydrophobicContact CG-CB 4.5Å; F18-V47 HydrophobicContact CZ-CB 4.5Å; F18-V47 HydrophobicContact CZ-CG2 4.23Å; P19-V47 WeakPolarHBondContact CD-O 3.27Å; V47-Q548 HydrophobicContact CG1-CG 4.47Å; V47-Q548 HydrophobicContact CG2-CG 4.21Å | ||
| 48 | P | 96.9 | Very high | 87.8 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 160.4 | -176 | -29.9 | 39.7 | 0 | 0 | 0 | 114.4 | F24 I46 W52 G547 F549 | F24-P48 HydrophobicContact CE1-CB 4.49Å; F24-P48 HydrophobicContact CE2-CB 4.08Å; F24-P48 HydrophobicContact CE2-CG 4.36Å; F24-P48 HydrophobicContact CZ-CB 3.82Å; F24-P48 HydrophobicContact CZ-CG 4.2Å; I46-P48 WeakPolarHBondContact O-CD 3.5Å; P48-W52 HydrophobicContact CB-CB 3.69Å; P48-W52 HydrophobicContact CB-CG 3.63Å; P48-W52 HydrophobicContact CG-CG 4.27Å; P48-G547 VanDerWaalsContact CD-O 3.25Å; P48-G547 WeakPolarHBondContact CD-O 3.36Å; P48-G547 WeakPolarHBondContact CG-O 3.39Å; P48-F549 HydrophobicContact CG-CD2 3.7Å; P48-F549 HydrophobicContact CG-CE2 3.66Å |
| 49 | P | 94.9 | Very high | 85.8 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 151.1 | 174.6 | -18.4 | 29.5 | 0 | 0 | 0 | 112.3 | F24 G51 W52 | F24-P49 HydrophobicContact CB-CG 3.6Å; F24-P49 HydrophobicContact CD1-CG 3.81Å; F24-P49 HydrophobicContact CD2-CG 4.15Å; F24-P49 VanDerWaalsContact CG-CD 3.45Å; F24-P49 HydrophobicContact CG-CG 3.6Å; P49-G51 PolarHBondContact O-N 2.94Å; P49-W52 WeakPolarHBondContact O-CB 3.47Å; P49-W52 PolarHBondContact O-N 3.05Å |
| 50 | E | 87.3 | Confident | 84.3 | Confident | 209 Ų | 209 | 39 Ų | 39 | 98% | 0.977 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 132.1 | 175.7 | -166.4 | 168 | -140.1 | 0 | 0 | 111.1 | ||
| 51 | G | 83.1 | Confident | 82.4 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 57% | 0.567 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | -2.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.8 | P49 N53 K424 Y425 | P49-G51 PolarHBondContact O-N 2.94Å; G51-N53 PolarHBondContact O-N 3.44Å; G51-K424 PolarHBondContact O-NZ 3.19Å; G51-Y425 PolarHBondContact O-OH 3.14Å |
| 52 | W | 89.4 | Confident | 80.7 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | trans | -81.9 | 104.7 | 160.5 | 179.7 | -93.4 | 0 | 0 | 0 | 110.3 | F24 P48 P49 P54 F396 Y425 S428 W430 Y481 F549 | F24-W52 AromaticContact CE1-CD2 3.86Å; F24-W52 HydrophobicContact CE1-CD2 3.86Å; F24-W52 AromaticContact CE1-CE3 3.79Å; F24-W52 HydrophobicContact CE1-CE3 3.79Å; F24-W52 HydrophobicContact CE1-CG 4.21Å; F24-W52 HydrophobicContact CE1-CZ3 4.34Å; F24-W52 HydrophobicContact CZ-CD2 4.13Å; F24-W52 HydrophobicContact CZ-CE3 4.46Å; F24-W52 HydrophobicContact CZ-CG 4.32Å; P48-W52 HydrophobicContact CB-CB 3.69Å; P48-W52 HydrophobicContact CB-CG 3.63Å; P48-W52 HydrophobicContact CG-CG 4.27Å; P49-W52 WeakPolarHBondContact O-CB 3.47Å; P49-W52 PolarHBondContact O-N 3.05Å; W52-P54 HydrophobicContact CZ2-CG 3.9Å; W52-F396 HydrophobicContact CZ2-CE1 4.19Å; W52-Y425 HydrophobicContact CD2-CE1 4.21Å; W52-Y425 AromaticContact CE3-CD1 3.86Å; W52-Y425 HydrophobicContact CE3-CD1 3.86Å; W52-Y425 AromaticContact CE3-CE1 3.71Å; W52-Y425 HydrophobicContact CE3-CE1 3.71Å; W52-Y425 AromaticContact CH2-CD1 3.9Å; W52-Y425 HydrophobicContact CH2-CD1 3.9Å; W52-Y425 AromaticContact CZ3-CD1 3.51Å; W52-Y425 HydrophobicContact CZ3-CD1 3.51Å; W52-Y425 AromaticContact CZ3-CE1 3.89Å; W52-Y425 HydrophobicContact CZ3-CE1 3.89Å; W52-S428 WeakPolarHBondContact CH2-OG 3.26Å; W52-S428 WeakPolarHBondContact CZ3-OG 3.12Å; W52-W430 HydrophobicContact CH2-CB 3.85Å; W52-W430 HydrophobicContact CZ2-CB 3.97Å; W52-W430 HydrophobicContact CZ3-CB 4.49Å; W52-Y481 AromaticContact NE1-CE2 3.88Å; W52-F549 HydrophobicContact CZ2-CZ 4.4Å; W52-F549 AromaticContact NE1-CE2 3.97Å | ||
| 53 | N | 84.6 | Confident | 79.5 | Confident | 95 Ų | 95 | 39.4 Ų | 39.4 | 51% | 0.508 | 21% | 0.211 | S | C | . | . | trans | -148.4 | 80.7 | 173.7 | -175.4 | -0 | 0 | 0 | 0 | 109.6 | G51 Q55 Y425 | G51-N53 PolarHBondContact O-N 3.44Å; N53-Q55 PolarHBondContact O-N 3.36Å; N53-Y425 VanDerWaalsContact C-OH 3.24Å; N53-Y425 PolarHBondContact N-OH 3.48Å; N53-Y425 WeakPolarHBondContact O-CE2 3.21Å; N53-Y425 PolarHBondContact O-OH 2.96Å | ||
| 54 | P | 81.2 | Confident | 78.7 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 117.3 | 171.5 | 29.1 | -34 | 0 | 0 | 0 | 109.7 | W52 F396 Y425 Y481 | W52-P54 HydrophobicContact CZ2-CG 3.9Å; P54-F396 HydrophobicContact CB-CD1 4.16Å; P54-F396 HydrophobicContact CB-CE1 4.3Å; P54-F396 HydrophobicContact CG-CD1 4.31Å; P54-F396 HydrophobicContact CG-CE1 3.95Å; P54-Y425 HydrophobicContact CB-CD1 4.12Å; P54-Y425 HydrophobicContact CB-CD2 4.03Å; P54-Y425 HydrophobicContact CB-CE2 4.4Å; P54-Y425 HydrophobicContact CB-CG 3.86Å; P54-Y481 WeakPolarHBondContact CD-OH 3.34Å; P54-Y481 HydrophobicContact CG-CE1 4.07Å; P54-Y481 VanDerWaalsContact CG-OH 3.25Å; P54-Y481 WeakPolarHBondContact CG-OH 3.48Å |
| 55 | Q | 69.7 | Low | 78 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 142.7 | 178.3 | -65.2 | -178.1 | -12.6 | 0 | 0 | 110.9 | N53 F417 | N53-Q55 PolarHBondContact O-N 3.36Å; Q55-F417 HydrophobicContact CB-CD1 4.15Å; Q55-F417 HydrophobicContact CG-CB 4.46Å; Q55-F417 HydrophobicContact CG-CD1 3.65Å; Q55-F417 HydrophobicContact CG-CE1 4.25Å; Q55-F417 HydrophobicContact CG-CG 4.3Å |
| 56 | P | 64.7 | Low | 77.2 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 141.4 | 178.3 | 27.2 | -33.9 | 0 | 0 | 0 | 111.8 | A58 G395 Q412 F417 | P56-A58 PolarHBondContact O-N 2.92Å; P56-G395 WeakPolarHBondContact CA-O 3.39Å; P56-Q412 PolarHBondContact O-NE2 3.01Å; P56-F417 VanDerWaalsContact CD-CZ 3.49Å; P56-F417 HydrophobicContact CG-CD2 4.3Å; P56-F417 HydrophobicContact CG-CE2 3.6Å; P56-F417 HydrophobicContact CG-CZ 3.73Å |
| 57 | R | 66.1 | Low | 76.6 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 124 | 179.1 | -162 | 178.3 | -170.9 | -167.3 | 3.1 | 110.9 | N59 N60 G395 D401 | R57-N59 VanDerWaalsContact C-N 3.29Å; R57-N59 PolarHBondContact O-N 3.09Å; R57-N60 WeakPolarHBondContact O-CB 3.45Å; R57-N60 PolarHBondContact O-N 3.33Å; R57-N60 VanDerWaalsContact O-N 3.1Å; R57-N60 PolarHBondContact O-OD1 2.73Å; R57-G395 PolarHBondContact N-O 3.18Å; R57-D401 IonicContact CZ-OD1 3.21Å; R57-D401 IonicContact CZ-OD2 3.55Å; R57-D401 VanDerWaalsContact NE-CG 3.32Å; R57-D401 IonicContact NE-OD1 2.65Å; R57-D401 PolarHBondContact NE-OD1 2.93Å; R57-D401 VanDerWaalsContact NE-OD1 3.14Å; R57-D401 IonicContact NE-OD2 2.67Å; R57-D401 PolarHBondContact NE-OD2 3.09Å; R57-D401 VanDerWaalsContact NE-OD2 3.08Å; R57-D401 IonicContact NH2-OD1 2.8Å; R57-D401 PolarHBondContact NH2-OD1 3.31Å |
| 58 | A | 50.7 | Low | 75.9 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.6 | -29.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P56 N60 L61 L404 Q408 Q412 | P56-A58 PolarHBondContact O-N 2.92Å; A58-N60 PolarHBondContact O-N 3.21Å; A58-N60 VanDerWaalsContact O-N 3.13Å; A58-L61 PolarHBondContact O-N 3.41Å; A58-L404 HydrophobicContact CB-CD2 3.72Å; A58-Q408 HydrophobicContact CB-CB 3.99Å; A58-Q408 HydrophobicContact CB-CG 4.45Å; A58-Q412 HydrophobicContact CB-CG 4.13Å |
| 59 | N | 55.2 | Low | 75.4 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -55.4 | -29 | 176.1 | -87.1 | -0.6 | 0 | 0 | 0 | 113.2 | R57 L61 H62 Q408 | R57-N59 VanDerWaalsContact C-N 3.29Å; R57-N59 PolarHBondContact O-N 3.09Å; N59-L61 PolarHBondContact O-N 2.73Å; N59-L61 VanDerWaalsContact O-N 3.12Å; N59-H62 PolarHBondContact O-N 2.94Å; N59-H62 VanDerWaalsContact O-N 3.08Å; N59-Q408 PolarHBondContact OD1-NE2 3.45Å |
| 60 | N | 62.7 | Low | 75 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -65.6 | -19.8 | -173.8 | -57.6 | 20 | 0 | 0 | 0 | 111.5 | R57 A58 H62 L63 I333 S394 | R57-N60 WeakPolarHBondContact O-CB 3.45Å; R57-N60 PolarHBondContact O-N 3.33Å; R57-N60 VanDerWaalsContact O-N 3.1Å; R57-N60 PolarHBondContact O-OD1 2.73Å; A58-N60 PolarHBondContact O-N 3.21Å; A58-N60 VanDerWaalsContact O-N 3.13Å; N60-H62 VanDerWaalsContact C-N 3.29Å; N60-H62 PolarHBondContact O-N 3.01Å; N60-L63 WeakPolarHBondContact O-CB 3.42Å; N60-L63 PolarHBondContact O-N 3.47Å; N60-L63 VanDerWaalsContact O-N 3.12Å; N60-I333 WeakPolarHBondContact O-CD1 3.46Å; N60-S394 PolarHBondContact ND2-O 2.89Å |
| 61 | L | 56 | Low | 75 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -66.1 | -28 | 175.3 | -62.2 | 172.9 | 0 | 0 | 0 | 113.2 | A58 N59 L411 F415 | A58-L61 PolarHBondContact O-N 3.41Å; N59-L61 PolarHBondContact O-N 2.73Å; N59-L61 VanDerWaalsContact O-N 3.12Å; L61-L411 HydrophobicContact CD1-CB 3.92Å; L61-L411 HydrophobicContact CD1-CD2 4.32Å; L61-F415 HydrophobicContact CD1-CD2 3.77Å; L61-F415 HydrophobicContact CD1-CE2 3.71Å; L61-F415 HydrophobicContact CD2-CD2 3.94Å; L61-F415 HydrophobicContact CD2-CE1 4.37Å; L61-F415 HydrophobicContact CD2-CE2 3.48Å; L61-F415 VanDerWaalsContact CD2-CE2 3.48Å; L61-F415 HydrophobicContact CD2-CZ 3.73Å; L61-F415 HydrophobicContact CG-CE2 4.22Å |
| 62 | H | 62.4 | Low | 75.3 | Confident | 117 Ų | 117 | 36.1 Ų | 36.1 | 54% | 0.542 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -94.6 | 9.3 | 174.1 | -60.7 | -37.5 | 0 | 0 | 0 | 113.1 | N59 N60 S64 | N59-H62 PolarHBondContact O-N 2.94Å; N59-H62 VanDerWaalsContact O-N 3.08Å; N60-H62 VanDerWaalsContact C-N 3.29Å; N60-H62 PolarHBondContact O-N 3.01Å; H62-S64 PolarHBondContact O-N 2.76Å |
| 63 | L | 73.2 | Confident | 75.1 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | trans | -64 | 123.7 | 179.6 | 178.4 | 60.6 | 0 | 0 | 0 | 110.8 | N60 F65 T332 L387 V392 M458 | N60-L63 WeakPolarHBondContact O-CB 3.42Å; N60-L63 PolarHBondContact O-N 3.47Å; N60-L63 VanDerWaalsContact O-N 3.12Å; L63-F65 HydrophobicContact CD2-CD1 4.4Å; L63-F65 HydrophobicContact CG-CD1 4.2Å; L63-T332 WeakPolarHBondContact O-CA 3.46Å; L63-L387 HydrophobicContact CD2-CD1 4.41Å; L63-V392 HydrophobicContact CD1-CB 3.49Å; L63-V392 VanDerWaalsContact CD1-CB 3.49Å; L63-V392 HydrophobicContact CD1-CG1 3.66Å; L63-V392 HydrophobicContact CD2-CB 3.82Å; L63-V392 HydrophobicContact CD2-CG1 4.31Å; L63-V392 HydrophobicContact CD2-CG2 4.4Å; L63-V392 HydrophobicContact CG-CB 4.3Å; L63-M458 HydrophobicContact CD2-CE 3.73Å | ||
| 64 | S | 79.9 | Confident | 75 | Confident | 63 Ų | 63 | 34.4 Ų | 34.4 | 44% | 0.441 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.6 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | H62 Q330 Y331 | H62-S64 PolarHBondContact O-N 2.76Å; S64-Q330 PolarHBondContact O-NE2 3.39Å; S64-Q330 PolarHBondContact OG-NE2 3.06Å; S64-Y331 CarbonylContact C-O 3.56Å; S64-Y331 VanDerWaalsContact CA-O 3.28Å; S64-Y331 WeakPolarHBondContact CA-O 3.41Å |
| 65 | F | 84.1 | Confident | 75.1 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 160.9 | -173.7 | 58.5 | -90 | 0 | 0 | 0 | 112.2 | L63 P67 Q330 Y331 I333 F336 A384 L387 I460 | L63-F65 HydrophobicContact CD2-CD1 4.4Å; L63-F65 HydrophobicContact CG-CD1 4.2Å; F65-P67 HydrophobicContact CE2-CB 4.46Å; F65-Q330 CarbonylContact O-C 3.53Å; F65-Q330 WeakPolarHBondContact O-CA 3.46Å; F65-Q330 WeakPolarHBondContact O-CG 3.44Å; F65-Y331 WeakPolarHBondContact CD1-O 3.39Å; F65-Y331 PolarHBondContact N-O 3.33Å; F65-Y331 PolarHBondContact O-N 3.03Å; F65-I333 HydrophobicContact CE1-CG1 3.86Å; F65-F336 HydrophobicContact CE2-CB 4.46Å; F65-F336 HydrophobicContact CE2-CD1 4.33Å; F65-F336 AromaticContact CE2-CD2 3.92Å; F65-F336 HydrophobicContact CE2-CD2 3.92Å; F65-F336 HydrophobicContact CE2-CE2 4.2Å; F65-F336 AromaticContact CE2-CG 3.99Å; F65-F336 HydrophobicContact CE2-CG 3.99Å; F65-F336 HydrophobicContact CZ-CB 3.76Å; F65-F336 AromaticContact CZ-CD1 3.89Å; F65-F336 HydrophobicContact CZ-CD1 3.89Å; F65-F336 HydrophobicContact CZ-CD2 4.04Å; F65-F336 AromaticContact CZ-CG 3.63Å; F65-F336 HydrophobicContact CZ-CG 3.63Å; F65-A384 HydrophobicContact CD2-CB 3.31Å; F65-A384 HydrophobicContact CE2-CB 3.56Å; F65-A384 HydrophobicContact CG-CB 4.08Å; F65-A384 HydrophobicContact CZ-CB 4.48Å; F65-L387 HydrophobicContact CB-CD1 4.22Å; F65-L387 HydrophobicContact CB-CD2 4.38Å; F65-L387 HydrophobicContact CG-CD1 4.48Å; F65-I460 HydrophobicContact CE1-CG1 4.5Å; F65-I460 HydrophobicContact CZ-CB 4.49Å; F65-I460 HydrophobicContact CZ-CG2 4.29Å |
| 66 | V | 83.5 | Confident | 75.9 | Confident | 55 Ų | 55 | 33.2 Ų | 33.2 | 33% | 0.333 | 17% | 0.168 | S | C | . | . | trans | -106.9 | 114.1 | 172 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | L326 D327 Q330 | V66-L326 HydrophobicContact CG1-CB 4.07Å; V66-L326 HydrophobicContact CG1-CD2 4.2Å; V66-D327 HydrophobicContact CG1-CB 4.34Å; V66-D327 WeakPolarHBondContact CG1-O 3.36Å; V66-Q330 HydrophobicContact CG2-CB 4Å; V66-Q330 HydrophobicContact CG2-CG 4.02Å | ||
| 67 | P | 85.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 152.5 | 178 | 30.1 | -33.3 | 0 | 0 | 0 | 111.7 | F65 D327 Y331 F336 K382 | F65-P67 HydrophobicContact CE2-CB 4.46Å; P67-D327 HydrophobicContact CG-CB 3.95Å; P67-D327 PolarHBondContact O-N 3.34Å; P67-Y331 HydrophobicContact CG-CD2 4.08Å; P67-Y331 HydrophobicContact CG-CE2 4.37Å; P67-F336 HydrophobicContact CB-CE2 4.04Å; P67-F336 HydrophobicContact CG-CE2 4.1Å; P67-K382 HydrophobicContact CB-CB 4.01Å; P67-K382 HydrophobicContact CG-CB 4.25Å; P67-K382 HydrophobicContact CG-CD 4.18Å |
| 68 | R | 83.5 | Confident | 77.4 | Confident | 53 Ų | 53 | 31.5 Ų | 31.5 | 20% | 0.2 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 141.7 | 166.5 | -61.5 | 179.2 | -159 | 164 | 11.6 | 109.6 | F324 E325 L326 K382 Y383 A385 D386 | R68-F324 HydrophobicContact CB-CB 3.77Å; R68-F324 HydrophobicContact CG-CB 4.27Å; R68-E325 CarbonylContact C-O 3.57Å; R68-E325 WeakPolarHBondContact CA-O 3.39Å; R68-L326 HydrophobicContact CG-CD2 3.89Å; R68-K382 CarbonylContact O-C 3.54Å; R68-K382 WeakPolarHBondContact O-CA 3.32Å; R68-Y383 WeakPolarHBondContact CB-O 3.49Å; R68-Y383 PolarHBondContact N-O 3.33Å; R68-Y383 PolarHBondContact O-N 3.47Å; R68-A385 PolarHBondContact NH2-O 3.43Å; R68-D386 IonicContact CZ-OD2 3.49Å; R68-D386 IonicContact NH1-OD2 2.66Å; R68-D386 PolarHBondContact NH1-OD2 3.33Å; R68-D386 IonicContact NH2-OD2 2.81Å; R68-D386 PolarHBondContact NH2-OD2 3.49Å |
| 69 | L | 85 | Confident | 78.8 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 20% | 0.204 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.8 | 175.2 | -55.4 | -177.3 | 0 | 0 | 0 | 109.5 | F324 E325 D327 I380 K382 | L69-F324 WeakPolarHBondContact O-CD1 3.49Å; L69-E325 HydrophobicContact CB-CB 4.41Å; L69-E325 WeakPolarHBondContact CB-O 3.33Å; L69-E325 HydrophobicContact CD1-CB 4.42Å; L69-E325 PolarHBondContact N-O 3.2Å; L69-D327 HydrophobicContact CD2-CB 4.1Å; L69-I380 HydrophobicContact CB-CG2 4.02Å; L69-K382 HydrophobicContact CD2-CD 4.24Å; L69-K382 HydrophobicContact CD2-CG 3.9Å |
| 70 | Q | 87.4 | Confident | 79.9 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 107.1 | -179.9 | -59.7 | -168.9 | -55.9 | 0 | 0 | 110 | F324 I380 V381 T466 | Q70-F324 HydrophobicContact CB-CE1 4.36Å; Q70-F324 HydrophobicContact CG-CD1 3.98Å; Q70-F324 HydrophobicContact CG-CE1 3.98Å; Q70-F324 HydrophobicContact CG-CG 4.28Å; Q70-F324 HydrophobicContact CG-CZ 4.26Å; Q70-I380 WeakPolarHBondContact O-CA 3.3Å; Q70-V381 HydrophobicContact CB-CG2 4.04Å; Q70-V381 PolarHBondContact N-O 2.87Å; Q70-V381 PolarHBondContact O-N 3.32Å; Q70-T466 PolarHBondContact NE2-O 3.1Å; Q70-T466 PolarHBondContact OE1-O 2.75Å |
| 71 | K | 87.1 | Confident | 80.2 | Confident | 68 Ų | 68 | 29.3 Ų | 29.3 | 30% | 0.296 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 110.1 | 173.6 | -177 | 164.2 | 159 | -155.5 | 0 | 109.4 | N73 E74 I380 | K71-N73 VanDerWaalsContact C-N 3.35Å; K71-N73 WeakPolarHBondContact CG-OD1 3.29Å; K71-N73 PolarHBondContact O-N 3.03Å; K71-E74 HydrophobicContact CD-CG 4.28Å; K71-E74 WeakPolarHBondContact CD-OE2 3.44Å; K71-E74 VanDerWaalsContact CE-OE1 3.24Å; K71-E74 WeakPolarHBondContact CE-OE1 3.2Å; K71-E74 HydrophobicContact CG-CG 4.24Å; K71-E74 IonicContact NZ-OE1 2.76Å; K71-E74 PolarHBondContact NZ-OE1 3.2Å; K71-E74 IonicContact NZ-OE2 2.67Å; K71-E74 PolarHBondContact O-N 3.34Å; K71-E74 VanDerWaalsContact O-N 3.1Å; K71-I380 HydrophobicContact CB-CG1 4.06Å; K71-I380 HydrophobicContact CD-CG1 4.3Å; K71-I380 HydrophobicContact CG-CG1 4.14Å |
| 72 | L | 89.7 | Confident | 81 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -31.3 | -157.9 | -66.6 | 179.7 | 0 | 0 | 0 | 115 | L75 F368 L371 V372 V379 V381 F464 | L72-L75 HydrophobicContact CD2-CD1 3.99Å; L72-L75 WeakPolarHBondContact O-CB 3.46Å; L72-F368 HydrophobicContact CD2-CE2 4.29Å; L72-L371 HydrophobicContact CD1-CB 4.01Å; L72-L371 HydrophobicContact CD1-CD1 3.94Å; L72-V372 HydrophobicContact CB-CG2 4.28Å; L72-V379 HydrophobicContact CD1-CB 4.26Å; L72-V379 HydrophobicContact CD1-CG1 3.79Å; L72-V379 HydrophobicContact CG-CG1 4.44Å; L72-V379 PolarHBondContact N-O 3.07Å; L72-V381 HydrophobicContact CD1-CG1 4.35Å; L72-V381 HydrophobicContact CD2-CG2 3.81Å; L72-V381 HydrophobicContact CG-CG2 4.37Å; L72-F464 HydrophobicContact CD1-CB 3.8Å; L72-F464 HydrophobicContact CD1-CD2 4.3Å; L72-F464 HydrophobicContact CD1-CG 4.25Å; L72-F464 HydrophobicContact CD2-CB 4.4Å |
| 73 | N | 84.4 | Confident | 81.4 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -30.5 | 177.3 | 57.7 | -39 | 0 | 0 | 0 | 113 | K71 L75 N76 I79 N374 P375 G377 | K71-N73 VanDerWaalsContact C-N 3.35Å; K71-N73 WeakPolarHBondContact CG-OD1 3.29Å; K71-N73 PolarHBondContact O-N 3.03Å; N73-L75 PolarHBondContact O-N 3.14Å; N73-N76 VanDerWaalsContact O-CB 3.27Å; N73-N76 WeakPolarHBondContact O-CB 3.37Å; N73-N76 PolarHBondContact O-N 3.16Å; N73-N76 VanDerWaalsContact O-N 3.09Å; N73-I79 HydrophobicContact CB-CD1 3.94Å; N73-N374 WeakPolarHBondContact CB-O 3.44Å; N73-P375 PolarHBondContact ND2-O 3.41Å; N73-G377 PolarHBondContact ND2-O 3.47Å; N73-G377 PolarHBondContact OD1-O 3.39Å |
| 74 | E | 82.3 | Confident | 81.5 | Confident | 88 Ų | 88 | 26.8 Ų | 26.8 | 41% | 0.411 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.1 | 177.5 | -68.7 | 174.9 | 173.7 | 0 | 0 | 112.9 | K71 N76 R80 | K71-E74 HydrophobicContact CD-CG 4.28Å; K71-E74 WeakPolarHBondContact CD-OE2 3.44Å; K71-E74 VanDerWaalsContact CE-OE1 3.24Å; K71-E74 WeakPolarHBondContact CE-OE1 3.2Å; K71-E74 HydrophobicContact CG-CG 4.24Å; K71-E74 IonicContact NZ-OE1 2.76Å; K71-E74 PolarHBondContact NZ-OE1 3.2Å; K71-E74 IonicContact NZ-OE2 2.67Å; K71-E74 PolarHBondContact O-N 3.34Å; K71-E74 VanDerWaalsContact O-N 3.1Å; E74-N76 PolarHBondContact O-N 3.34Å; E74-R80 WeakPolarHBondContact O-CD 3.49Å; E74-R80 VanDerWaalsContact O-CG 3.25Å; E74-R80 WeakPolarHBondContact O-CG 3.47Å |
| 75 | L | 84.7 | Confident | 81.5 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -25.3 | 166.5 | -56.1 | -179.3 | 0 | 0 | 0 | 112.4 | L72 N73 A77 F324 T466 L526 | L72-L75 HydrophobicContact CD2-CD1 3.99Å; L72-L75 WeakPolarHBondContact O-CB 3.46Å; N73-L75 PolarHBondContact O-N 3.14Å; L75-A77 PolarHBondContact O-N 3.3Å; L75-F324 HydrophobicContact CD2-CE1 3.43Å; L75-F324 VanDerWaalsContact CD2-CE1 3.43Å; L75-F324 HydrophobicContact CD2-CZ 3.51Å; L75-T466 HydrophobicContact CD1-CG2 3.85Å; L75-L526 HydrophobicContact CB-CB 4.18Å; L75-L526 PolarHBondContact O-N 3.01Å |
| 76 | N | 86.1 | Confident | 81.2 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -80.7 | 120.6 | -166.6 | -171.8 | -33.4 | 0 | 0 | 0 | 111.9 | N73 E74 M78 I79 R80 V372 L526 | N73-N76 VanDerWaalsContact O-CB 3.27Å; N73-N76 WeakPolarHBondContact O-CB 3.37Å; N73-N76 PolarHBondContact O-N 3.16Å; N73-N76 VanDerWaalsContact O-N 3.09Å; E74-N76 PolarHBondContact O-N 3.34Å; N76-M78 PolarHBondContact O-N 2.83Å; N76-M78 VanDerWaalsContact O-N 3.1Å; N76-M78 PolarHBondContact OD1-N 2.96Å; N76-I79 HydrophobicContact CB-CB 4.09Å; N76-I79 HydrophobicContact CB-CD1 3.77Å; N76-I79 HydrophobicContact CB-CG1 3.91Å; N76-I79 PolarHBondContact O-N 3.41Å; N76-R80 WeakPolarHBondContact O-CG 3.08Å; N76-R80 PolarHBondContact O-N 2.81Å; N76-V372 HydrophobicContact CB-CG1 4.15Å; N76-V372 WeakPolarHBondContact CB-O 3.4Å; N76-V372 PolarHBondContact ND2-O 3.32Å; N76-L526 WeakPolarHBondContact CA-O 3.33Å |
| 77 | A | 82 | Confident | 80.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -52.3 | -37.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L75 G81 A509 L512 T525 L526 I527 | L75-A77 PolarHBondContact O-N 3.3Å; A77-G81 PolarHBondContact O-N 2.78Å; A77-A509 HydrophobicContact CB-CB 3.65Å; A77-A509 WeakPolarHBondContact O-CB 3.19Å; A77-L512 HydrophobicContact CB-CD2 3.94Å; A77-T525 HydrophobicContact CB-CG2 3.45Å; A77-T525 VanDerWaalsContact CB-CG2 3.45Å; A77-L526 PolarHBondContact N-O 2.85Å; A77-I527 HydrophobicContact CB-CD1 3.6Å; A77-I527 HydrophobicContact CB-CG1 3.47Å; A77-I527 VanDerWaalsContact CB-CG1 3.47Å |
| 78 | M | 80.5 | Confident | 80.3 | Confident | 18 Ų | 18 | 30.7 Ų | 30.7 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76.6 | -32.9 | -177.2 | -59.3 | -168 | -56.8 | 0 | 0 | 112.5 | Q5 N76 G82 L508 L531 | Q5-M78 HydrophobicContact CB-CE 4.41Å; Q5-M78 HydrophobicContact CG-CE 4Å; N76-M78 PolarHBondContact O-N 2.83Å; N76-M78 VanDerWaalsContact O-N 3.1Å; N76-M78 PolarHBondContact OD1-N 2.96Å; M78-G82 PolarHBondContact O-N 3.45Å; M78-L508 HydrophobicContact CG-CB 4.48Å; M78-L508 HydrophobicContact SD-CD2 3.92Å; M78-L531 HydrophobicContact CE-CD1 3.47Å; M78-L531 VanDerWaalsContact CE-CD1 3.47Å; M78-L531 HydrophobicContact SD-CD1 3.95Å |
| 79 | I | 78.6 | Confident | 79.9 | Confident | 21 Ų | 21 | 28.1 Ų | 28.1 | 11% | 0.108 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.5 | -52 | 177.2 | -62 | 176.5 | 0 | 0 | 0 | 108.1 | N73 N76 G81 G82 D83 V372 P375 | N73-I79 HydrophobicContact CB-CD1 3.94Å; N76-I79 HydrophobicContact CB-CB 4.09Å; N76-I79 HydrophobicContact CB-CD1 3.77Å; N76-I79 HydrophobicContact CB-CG1 3.91Å; N76-I79 PolarHBondContact O-N 3.41Å; I79-G81 VanDerWaalsContact C-N 3.27Å; I79-G81 PolarHBondContact O-N 3.44Å; I79-G82 CarbonylContact O-C 3.59Å; I79-G82 VanDerWaalsContact O-CA 3.26Å; I79-G82 WeakPolarHBondContact O-CA 3.48Å; I79-G82 PolarHBondContact O-N 2.89Å; I79-D83 PolarHBondContact O-N 2.8Å; I79-D83 VanDerWaalsContact O-OD2 3.13Å; I79-V372 WeakPolarHBondContact CD1-O 3.48Å; I79-P375 HydrophobicContact CD1-CB 4.38Å |
| 80 | R | 78.3 | Confident | 79.2 | Confident | 27 Ų | 27 | 27.9 Ų | 27.9 | 10% | 0.102 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -51.8 | -43 | 171.8 | -62.6 | 171.8 | 74.7 | 129.2 | 2.7 | 112.8 | E74 N76 G82 D83 L84 L512 I524 | E74-R80 WeakPolarHBondContact O-CD 3.49Å; E74-R80 VanDerWaalsContact O-CG 3.25Å; E74-R80 WeakPolarHBondContact O-CG 3.47Å; N76-R80 WeakPolarHBondContact O-CG 3.08Å; N76-R80 PolarHBondContact O-N 2.81Å; R80-G82 PolarHBondContact O-N 3.1Å; R80-D83 WeakPolarHBondContact CA-OD2 3.29Å; R80-D83 PolarHBondContact O-N 3.11Å; R80-L84 WeakPolarHBondContact O-CB 3.41Å; R80-L84 VanDerWaalsContact O-CG 3.3Å; R80-L84 WeakPolarHBondContact O-CG 3.25Å; R80-L84 PolarHBondContact O-N 3.18Å; R80-L512 HydrophobicContact CB-CD1 4.33Å; R80-L512 HydrophobicContact CB-CD2 4.4Å; R80-I524 PolarHBondContact NH1-O 3.19Å |
| 81 | G | 70.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -24.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A77 I79 F85 | A77-G81 PolarHBondContact O-N 2.78Å; I79-G81 VanDerWaalsContact C-N 3.27Å; I79-G81 PolarHBondContact O-N 3.44Å; G81-F85 PolarHBondContact O-N 2.95Å |
| 82 | G | 71.8 | Confident | 77.8 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -82.1 | -37.3 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | M78 I79 R80 F85 M86 | M78-G82 PolarHBondContact O-N 3.45Å; I79-G82 CarbonylContact O-C 3.59Å; I79-G82 VanDerWaalsContact O-CA 3.26Å; I79-G82 WeakPolarHBondContact O-CA 3.48Å; I79-G82 PolarHBondContact O-N 2.89Å; R80-G82 PolarHBondContact O-N 3.1Å; G82-F85 CarbonylContact O-C 3.53Å; G82-F85 WeakPolarHBondContact O-CA 3.49Å; G82-F85 WeakPolarHBondContact O-CB 3.29Å; G82-F85 PolarHBondContact O-N 3.35Å; G82-F85 VanDerWaalsContact O-N 3.08Å; G82-M86 WeakPolarHBondContact O-CG 3.34Å; G82-M86 PolarHBondContact O-N 3.16Å |
| 83 | D | 72.4 | Confident | 76.8 | Confident | 72 Ų | 72 | 31 Ų | 31 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 175.8 | -58 | -44.5 | 0 | 0 | 0 | 111.1 | I79 R80 F85 M86 N87 | I79-D83 PolarHBondContact O-N 2.8Å; I79-D83 VanDerWaalsContact O-OD2 3.13Å; R80-D83 WeakPolarHBondContact CA-OD2 3.29Å; R80-D83 PolarHBondContact O-N 3.11Å; D83-F85 PolarHBondContact O-N 3.32Å; D83-M86 PolarHBondContact O-N 3.32Å; D83-M86 VanDerWaalsContact O-N 3.15Å; D83-N87 WeakPolarHBondContact O-CB 3.5Å; D83-N87 VanDerWaalsContact O-CG 3.3Å; D83-N87 PolarHBondContact O-N 2.96Å; D83-N87 PolarHBondContact O-ND2 3.32Å |
| 84 | L | 74.8 | Confident | 75.9 | Confident | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -33.8 | 170.5 | -68.3 | 171.5 | 0 | 0 | 0 | 111.9 | R80 D88 W321 K511 L512 | R80-L84 WeakPolarHBondContact O-CB 3.41Å; R80-L84 VanDerWaalsContact O-CG 3.3Å; R80-L84 WeakPolarHBondContact O-CG 3.25Å; R80-L84 PolarHBondContact O-N 3.18Å; L84-D88 PolarHBondContact O-N 3.36Å; L84-W321 HydrophobicContact CD1-CH2 4.36Å; L84-K511 HydrophobicContact CB-CD 4.05Å; L84-K511 HydrophobicContact CB-CG 4.36Å; L84-K511 PolarHBondContact O-NZ 3.01Å; L84-L512 HydrophobicContact CD1-CB 4.34Å; L84-L512 HydrophobicContact CD1-CD1 3.87Å |
| 85 | F | 80 | Confident | 75.1 | Confident | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.9 | -44.3 | 172.8 | 175.7 | -91.8 | 0 | 0 | 0 | 112.2 | G81 G82 D83 N87 D88 L89 L112 Y113 Y116 L159 F162 K511 | G81-F85 PolarHBondContact O-N 2.95Å; G82-F85 CarbonylContact O-C 3.53Å; G82-F85 WeakPolarHBondContact O-CA 3.49Å; G82-F85 WeakPolarHBondContact O-CB 3.29Å; G82-F85 PolarHBondContact O-N 3.35Å; G82-F85 VanDerWaalsContact O-N 3.08Å; D83-F85 PolarHBondContact O-N 3.32Å; F85-N87 VanDerWaalsContact C-N 3.34Å; F85-N87 PolarHBondContact O-N 3.41Å; F85-D88 PolarHBondContact O-N 2.98Å; F85-L89 HydrophobicContact CE1-CD2 3.88Å; F85-L89 HydrophobicContact CZ-CD2 4.3Å; F85-L89 WeakPolarHBondContact O-CB 3.29Å; F85-L89 PolarHBondContact O-N 3.35Å; F85-L112 HydrophobicContact CE1-CB 4.45Å; F85-Y113 HydrophobicContact CB-CD2 3.49Å; F85-Y113 VanDerWaalsContact CB-CD2 3.49Å; F85-Y113 HydrophobicContact CB-CE2 4Å; F85-Y113 HydrophobicContact CB-CG 4.14Å; F85-Y113 AromaticContact CD1-CD2 3.78Å; F85-Y113 HydrophobicContact CD1-CD2 3.78Å; F85-Y113 HydrophobicContact CD1-CG 4.16Å; F85-Y113 AromaticContact CD2-CD2 3.92Å; F85-Y113 HydrophobicContact CD2-CD2 3.92Å; F85-Y113 HydrophobicContact CD2-CE2 4.43Å; F85-Y113 HydrophobicContact CE1-CD2 4.49Å; F85-Y113 AromaticContact CG-CD2 3.44Å; F85-Y113 HydrophobicContact CG-CD2 3.44Å; F85-Y113 VanDerWaalsContact CG-CD2 3.44Å; F85-Y113 HydrophobicContact CG-CE2 4.22Å; F85-Y113 HydrophobicContact CG-CG 4.21Å; F85-Y116 HydrophobicContact CD2-CD1 4.1Å; F85-Y116 HydrophobicContact CD2-CE1 4.39Å; F85-Y116 AromaticContact CE2-CD1 3.32Å; F85-Y116 HydrophobicContact CE2-CD1 3.32Å; F85-Y116 HydrophobicContact CE2-CD2 4.1Å; F85-Y116 AromaticContact CE2-CE1 3.68Å; F85-Y116 HydrophobicContact CE2-CE1 3.68Å; F85-Y116 HydrophobicContact CE2-CE2 4.39Å; F85-Y116 AromaticContact CE2-CG 3.56Å; F85-Y116 HydrophobicContact CE2-CG 3.56Å; F85-Y116 AromaticContact CZ-CD1 3.79Å; F85-Y116 HydrophobicContact CZ-CD1 3.79Å; F85-Y116 HydrophobicContact CZ-CD2 4.01Å; F85-Y116 HydrophobicContact CZ-CE1 4.47Å; F85-Y116 AromaticContact CZ-CG 3.52Å; F85-Y116 HydrophobicContact CZ-CG 3.52Å; F85-L159 HydrophobicContact CE1-CD2 4.1Å; F85-L159 HydrophobicContact CZ-CD2 3.77Å; F85-F162 HydrophobicContact CD2-CE1 4.22Å; F85-F162 HydrophobicContact CE2-CD1 4.07Å; F85-F162 AromaticContact CE2-CE1 3.6Å; F85-F162 HydrophobicContact CE2-CE1 3.6Å; F85-F162 HydrophobicContact CE2-CZ 4.37Å; F85-F162 HydrophobicContact CZ-CD1 4.42Å; F85-F162 HydrophobicContact CZ-CE1 4.32Å; F85-K511 HydrophobicContact CB-CD 4.09Å |
| 86 | M | 78.1 | Confident | 74.5 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -34.5 | 178.2 | -73 | -60.8 | -59 | 0 | 0 | 112.4 | G82 D83 L89 T90 L100 V102 L112 | G82-M86 WeakPolarHBondContact O-CG 3.34Å; G82-M86 PolarHBondContact O-N 3.16Å; D83-M86 PolarHBondContact O-N 3.32Å; D83-M86 VanDerWaalsContact O-N 3.15Å; M86-L89 HydrophobicContact SD-CD2 4.41Å; M86-T90 WeakPolarHBondContact O-CB 3.21Å; M86-T90 PolarHBondContact O-N 3.1Å; M86-T90 PolarHBondContact O-OG1 3.34Å; M86-L100 HydrophobicContact CE-CD2 4.01Å; M86-V102 HydrophobicContact CE-CG2 3.85Å; M86-L112 HydrophobicContact CE-CD1 4.27Å; M86-L112 HydrophobicContact SD-CB 4.01Å; M86-L112 HydrophobicContact SD-CD1 4.26Å |
| 87 | N | 73.2 | Confident | 73.4 | Confident | 93 Ų | 93 | 48.2 Ų | 48.2 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -50.9 | 173 | -74.8 | -22 | 0 | 0 | 0 | 111.3 | D83 F85 L89 T90 N91 | D83-N87 WeakPolarHBondContact O-CB 3.5Å; D83-N87 VanDerWaalsContact O-CG 3.3Å; D83-N87 PolarHBondContact O-N 2.96Å; D83-N87 PolarHBondContact O-ND2 3.32Å; F85-N87 VanDerWaalsContact C-N 3.34Å; F85-N87 PolarHBondContact O-N 3.41Å; N87-L89 PolarHBondContact O-N 2.97Å; N87-T90 PolarHBondContact O-N 3.02Å; N87-N91 WeakPolarHBondContact O-CB 3.17Å; N87-N91 PolarHBondContact O-N 2.98Å; N87-N91 PolarHBondContact O-ND2 3.05Å |
| 88 | D | 75.9 | Confident | 72.5 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.5 | -96 | 0.3 | 0 | 0 | 0 | 112.8 | L84 F85 T90 N91 F92 F162 K511 | L84-D88 PolarHBondContact O-N 3.36Å; F85-D88 PolarHBondContact O-N 2.98Å; D88-T90 VanDerWaalsContact C-N 3.34Å; D88-N91 PolarHBondContact O-N 3.44Å; D88-F92 VanDerWaalsContact O-CB 3.22Å; D88-F92 WeakPolarHBondContact O-CB 3.37Å; D88-F92 PolarHBondContact O-N 3.2Å; D88-F162 HydrophobicContact CB-CE2 4.12Å; D88-F162 HydrophobicContact CB-CZ 4Å; D88-K511 IonicContact OD2-NZ 3.86Å; D88-K511 PolarHBondContact OD2-NZ 2.75Å |
| 89 | L | 76.3 | Confident | 71.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.5 | -174 | 63.6 | 0 | 0 | 0 | 110.9 | F85 M86 N87 W93 L100 L112 I158 L159 F162 | F85-L89 HydrophobicContact CE1-CD2 3.88Å; F85-L89 HydrophobicContact CZ-CD2 4.3Å; F85-L89 WeakPolarHBondContact O-CB 3.29Å; F85-L89 PolarHBondContact O-N 3.35Å; M86-L89 HydrophobicContact SD-CD2 4.41Å; N87-L89 PolarHBondContact O-N 2.97Å; L89-W93 PolarHBondContact O-N 3.17Å; L89-W93 VanDerWaalsContact O-N 3.16Å; L89-L100 HydrophobicContact CB-CD2 4.27Å; L89-L100 HydrophobicContact CD2-CD2 3.94Å; L89-L100 HydrophobicContact CG-CD2 3.8Å; L89-L112 HydrophobicContact CD2-CB 4.34Å; L89-L112 HydrophobicContact CD2-CD1 3.94Å; L89-I158 HydrophobicContact CD2-CG2 4.31Å; L89-L159 HydrophobicContact CD1-CD2 4.25Å; L89-L159 HydrophobicContact CD2-CD2 3.69Å; L89-F162 HydrophobicContact CB-CD2 4.5Å; L89-F162 HydrophobicContact CB-CE2 4.44Å; L89-F162 HydrophobicContact CD1-CB 3.66Å; L89-F162 HydrophobicContact CD1-CD1 4.34Å; L89-F162 HydrophobicContact CD1-CD2 3.6Å; L89-F162 HydrophobicContact CD1-CE2 4.33Å; L89-F162 HydrophobicContact CD1-CG 3.61Å |
| 90 | T | 70.4 | Confident | 71 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 174.4 | -59.6 | 0 | 0 | 0 | 0 | 111 | M86 N87 D88 W93 K94 | M86-T90 WeakPolarHBondContact O-CB 3.21Å; M86-T90 PolarHBondContact O-N 3.1Å; M86-T90 PolarHBondContact O-OG1 3.34Å; N87-T90 PolarHBondContact O-N 3.02Å; D88-T90 VanDerWaalsContact C-N 3.34Å; T90-W93 PolarHBondContact O-N 2.83Å; T90-K94 HydrophobicContact CG2-CD 4.06Å; T90-K94 HydrophobicContact CG2-CG 4.36Å; T90-K94 WeakPolarHBondContact O-CB 3.49Å; T90-K94 WeakPolarHBondContact O-CG 3.24Å; T90-K94 PolarHBondContact O-N 2.95Å |
| 91 | N | 70.1 | Confident | 70.4 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 177.6 | -70.8 | -20.8 | 0 | 0 | 0 | 111.7 | N87 D88 W93 K94 L95 | N87-N91 WeakPolarHBondContact O-CB 3.17Å; N87-N91 PolarHBondContact O-N 2.98Å; N87-N91 PolarHBondContact O-ND2 3.05Å; D88-N91 PolarHBondContact O-N 3.44Å; N91-W93 VanDerWaalsContact C-N 3.3Å; N91-W93 PolarHBondContact O-N 3.09Å; N91-K94 PolarHBondContact O-N 2.89Å; N91-L95 WeakPolarHBondContact O-CB 3.36Å; N91-L95 VanDerWaalsContact O-CG 3.23Å; N91-L95 WeakPolarHBondContact O-CG 3.42Å; N91-L95 PolarHBondContact O-N 2.96Å |
| 92 | F | 75.1 | Confident | 70.3 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -40 | 174.1 | 168.4 | -81.8 | 0 | 0 | 0 | 112.9 | D88 R96 P161 F162 V165 | D88-F92 VanDerWaalsContact O-CB 3.22Å; D88-F92 WeakPolarHBondContact O-CB 3.37Å; D88-F92 PolarHBondContact O-N 3.2Å; F92-R96 VanDerWaalsContact CD2-NH1 3.28Å; F92-R96 VanDerWaalsContact CE2-NH1 3.32Å; F92-R96 VanDerWaalsContact CZ-CZ 3.41Å; F92-R96 WeakPolarHBondContact O-CD 3.36Å; F92-R96 PolarHBondContact O-NH1 3.13Å; F92-P161 HydrophobicContact CE1-CB 4.06Å; F92-P161 VanDerWaalsContact CZ-C 3.41Å; F92-P161 HydrophobicContact CZ-CB 3.81Å; F92-P161 VanDerWaalsContact CZ-O 3.26Å; F92-P161 WeakPolarHBondContact CZ-O 3.48Å; F92-F162 HydrophobicContact CB-CD2 3.74Å; F92-F162 HydrophobicContact CB-CE2 3.99Å; F92-F162 HydrophobicContact CD1-CB 4.5Å; F92-F162 HydrophobicContact CD1-CD2 4.13Å; F92-F162 AromaticContact CD2-CD2 3.7Å; F92-F162 HydrophobicContact CD2-CD2 3.7Å; F92-F162 HydrophobicContact CD2-CE2 4.4Å; F92-F162 HydrophobicContact CE1-CB 4.39Å; F92-F162 HydrophobicContact CE2-CB 4.44Å; F92-F162 HydrophobicContact CE2-CD2 4.33Å; F92-F162 AromaticContact CG-CD2 3.6Å; F92-F162 HydrophobicContact CG-CD2 3.6Å; F92-F162 HydrophobicContact CG-CE2 4.31Å; F92-F162 HydrophobicContact CZ-CB 4.37Å; F92-V165 HydrophobicContact CE2-CB 3.97Å; F92-V165 HydrophobicContact CE2-CG1 4.32Å; F92-V165 HydrophobicContact CE2-CG2 3.91Å |
| 93 | W | 67.4 | Low | 70 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 16% | 0.155 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -80.7 | -37.7 | 178.5 | -77.5 | 113.2 | 0 | 0 | 0 | 112.2 | L89 T90 N91 L95 R96 G97 V98 L100 R157 I158 P161 | L89-W93 PolarHBondContact O-N 3.17Å; L89-W93 VanDerWaalsContact O-N 3.16Å; T90-W93 PolarHBondContact O-N 2.83Å; N91-W93 VanDerWaalsContact C-N 3.3Å; N91-W93 PolarHBondContact O-N 3.09Å; W93-L95 PolarHBondContact O-N 2.57Å; W93-R96 CarbonylContact O-C 3.59Å; W93-R96 WeakPolarHBondContact O-CA 3.39Å; W93-R96 WeakPolarHBondContact O-CB 3.48Å; W93-R96 PolarHBondContact O-N 2.94Å; W93-G97 PolarHBondContact O-N 3.37Å; W93-V98 CarbonylContact C-O 3.46Å; W93-V98 HydrophobicContact CB-CB 4.48Å; W93-V98 WeakPolarHBondContact CB-O 3.32Å; W93-V98 HydrophobicContact CE3-CB 3.98Å; W93-V98 HydrophobicContact CE3-CG1 4.12Å; W93-V98 HydrophobicContact CE3-CG2 4.3Å; W93-V98 PolarHBondContact O-N 2.92Å; W93-V98 VanDerWaalsContact O-O 3.08Å; W93-L100 HydrophobicContact CB-CB 4.36Å; W93-R157 WeakPolarHBondContact CZ2-O 3.48Å; W93-I158 WeakPolarHBondContact CZ2-O 3.48Å; W93-I158 PolarHBondContact NE1-O 2.6Å; W93-I158 VanDerWaalsContact NE1-O 3.12Å; W93-P161 HydrophobicContact CH2-CB 4.28Å; W93-P161 HydrophobicContact CH2-CG 4.03Å; W93-P161 HydrophobicContact CZ2-CB 4.19Å; W93-P161 HydrophobicContact CZ2-CG 4.01Å |
| 94 | K | 66 | Low | 69.6 | Low | 115 Ų | 115 | 68.9 Ų | 68.9 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 172.4 | -77.2 | -177.2 | 175.1 | -177 | 0 | 112.7 | T90 N91 R96 G97 V98 | T90-K94 HydrophobicContact CG2-CD 4.06Å; T90-K94 HydrophobicContact CG2-CG 4.36Å; T90-K94 WeakPolarHBondContact O-CB 3.49Å; T90-K94 WeakPolarHBondContact O-CG 3.24Å; T90-K94 PolarHBondContact O-N 2.95Å; N91-K94 PolarHBondContact O-N 2.89Å; K94-R96 PolarHBondContact O-N 3.1Å; K94-G97 PolarHBondContact O-N 3.49Å; K94-V98 PolarHBondContact N-O 2.9Å |
| 95 | L | 65.2 | Low | 69 | Low | 150 Ų | 150 | 68.2 Ų | 68.2 | 79% | 0.785 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -7.4 | 171.4 | -72.2 | 169.2 | 0 | 0 | 0 | 113.7 | N91 W93 | N91-L95 WeakPolarHBondContact O-CB 3.36Å; N91-L95 VanDerWaalsContact O-CG 3.23Å; N91-L95 WeakPolarHBondContact O-CG 3.42Å; N91-L95 PolarHBondContact O-N 2.96Å; W93-L95 PolarHBondContact O-N 2.57Å |
| 96 | R | 72.5 | Confident | 68.2 | Low | 123 Ų | 123 | 72.4 Ų | 72.4 | 46% | 0.464 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 10.4 | 173.1 | -68.9 | 168.9 | 171.8 | 67.1 | 6.7 | 112.7 | F92 W93 K94 V98 | F92-R96 VanDerWaalsContact CD2-NH1 3.28Å; F92-R96 VanDerWaalsContact CE2-NH1 3.32Å; F92-R96 VanDerWaalsContact CZ-CZ 3.41Å; F92-R96 WeakPolarHBondContact O-CD 3.36Å; F92-R96 PolarHBondContact O-NH1 3.13Å; W93-R96 CarbonylContact O-C 3.59Å; W93-R96 WeakPolarHBondContact O-CA 3.39Å; W93-R96 WeakPolarHBondContact O-CB 3.48Å; W93-R96 PolarHBondContact O-N 2.94Å; K94-R96 PolarHBondContact O-N 3.1Å; R96-V98 VanDerWaalsContact C-N 3.33Å; R96-V98 PolarHBondContact O-N 3.4Å |
| 97 | G | 62.2 | Low | 67 | Low | 75 Ų | 75 | 73.2 Ų | 73.2 | 77% | 0.773 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 21.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | W93 K94 | W93-G97 PolarHBondContact O-N 3.37Å; K94-G97 PolarHBondContact O-N 3.49Å |
| 98 | V | 64.4 | Low | 66.1 | Low | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | trans | -122.9 | 120.2 | -176.9 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | W93 K94 R96 L100 | W93-V98 CarbonylContact C-O 3.46Å; W93-V98 HydrophobicContact CB-CB 4.48Å; W93-V98 WeakPolarHBondContact CB-O 3.32Å; W93-V98 HydrophobicContact CE3-CB 3.98Å; W93-V98 HydrophobicContact CE3-CG1 4.12Å; W93-V98 HydrophobicContact CE3-CG2 4.3Å; W93-V98 PolarHBondContact O-N 2.92Å; W93-V98 VanDerWaalsContact O-O 3.08Å; K94-V98 PolarHBondContact N-O 2.9Å; R96-V98 VanDerWaalsContact C-N 3.33Å; R96-V98 PolarHBondContact O-N 3.4Å; V98-L100 PolarHBondContact O-N 2.87Å | ||
| 99 | D | 62 | Low | 65.6 | Low | 119 Ų | 119 | 78.9 Ų | 78.9 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | trans | -73.8 | 121.1 | 167.4 | -77.9 | -53.2 | 0 | 0 | 0 | 111 | R101 | D99-R101 PolarHBondContact O-N 3.34Š| ||
| 100 | L | 63.9 | Low | 65.4 | Low | 30 Ų | 30 | 79.1 Ų | 79.1 | 16% | 0.157 | 41% | 0.413 | C | S | . | . | trans | -65.1 | 116.6 | 179.5 | 175.7 | 62.4 | 0 | 0 | 0 | 110.8 | M86 L89 W93 V98 L112 I158 | M86-L100 HydrophobicContact CE-CD2 4.01Å; L89-L100 HydrophobicContact CB-CD2 4.27Å; L89-L100 HydrophobicContact CD2-CD2 3.94Å; L89-L100 HydrophobicContact CG-CD2 3.8Å; W93-L100 HydrophobicContact CB-CB 4.36Å; V98-L100 PolarHBondContact O-N 2.87Å; L100-L112 HydrophobicContact CD1-CD1 4.48Å; L100-I158 HydrophobicContact CD1-CG2 3.63Å | ||
| 101 | R | 66 | Low | 65.6 | Low | 210 Ų | 210 | 81.3 Ų | 81.3 | 79% | 0.792 | 42% | 0.424 | S | S | * | . | trans | -109.6 | 115.9 | 169.9 | -71.9 | -173.7 | -78.7 | -172.5 | -4.5 | 110.7 | D99 | D99-R101 PolarHBondContact O-N 3.34Š| ||
| 102 | V | 69.1 | Low | 66.1 | Low | 46 Ų | 46 | 77.6 Ų | 77.6 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 127.8 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | M86 F109 V110 L112 | M86-V102 HydrophobicContact CE-CG2 3.85Å; V102-F109 HydrophobicContact CB-CD1 4.14Å; V102-F109 HydrophobicContact CG1-CB 4.09Å; V102-F109 HydrophobicContact CG1-CD1 4.01Å; V102-F109 HydrophobicContact CG1-CG 4.49Å; V102-V110 WeakPolarHBondContact CG1-O 3.4Å; V102-L112 HydrophobicContact CG1-CD1 4.37Å; V102-L112 HydrophobicContact CG1-CG 4.4Å; V102-L112 HydrophobicContact CG2-CD1 4.16Å |
| 103 | P | 66.1 | Low | 66.4 | Low | 14 Ų | 14 | 78.1 Ų | 78.1 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 156.3 | -179.2 | 32.2 | -33.4 | 0 | 0 | 0 | 111.5 | V110 H154 I158 | P103-V110 HydrophobicContact CG-CB 4.13Å; P103-V110 HydrophobicContact CG-CG2 4.01Å; P103-V110 PolarHBondContact O-N 2.86Å; P103-H154 HydrophobicContact CG-CB 4.06Å; P103-I158 HydrophobicContact CG-CD1 3.8Å |
| 104 | L | 62.4 | Low | 67 | Low | 96 Ų | 96 | 77.2 Ų | 77.2 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.3 | 168.7 | -64.1 | 101.8 | 0 | 0 | 0 | 111.2 | H108 F109 | L104-H108 CarbonylContact C-O 3.39Å; L104-H108 VanDerWaalsContact CA-O 3.27Å; L104-H108 WeakPolarHBondContact CA-O 3.36Å; L104-F109 HydrophobicContact CD1-CD1 4.04Å; L104-F109 HydrophobicContact CD1-CE1 3.64Å; L104-F109 HydrophobicContact CD1-CZ 4.21Å; L104-F109 HydrophobicContact CD2-CD1 4.26Å; L104-F109 HydrophobicContact CD2-CD2 4.42Å; L104-F109 HydrophobicContact CD2-CE1 4.16Å; L104-F109 HydrophobicContact CD2-CE2 4.31Å; L104-F109 HydrophobicContact CD2-CG 4.39Å; L104-F109 HydrophobicContact CD2-CZ 4.18Å; L104-F109 HydrophobicContact CG-CD1 3.75Å; L104-F109 HydrophobicContact CG-CE1 3.8Å; L104-F109 HydrophobicContact CG-CG 4.24Å; L104-F109 HydrophobicContact CG-CZ 4.33Å |
| 105 | V | 63.3 | Low | 68.1 | Low | 11 Ų | 11 | 71.7 Ų | 71.7 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 131.2 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 107.5 | G107 H108 V110 Y143 V146 P150 L151 | V105-G107 PolarHBondContact O-N 3.31Å; V105-H108 PolarHBondContact N-O 3.49Å; V105-H108 PolarHBondContact O-N 2.82Å; V105-H108 VanDerWaalsContact O-O 3.05Å; V105-V110 HydrophobicContact CB-CG2 3.94Å; V105-V110 HydrophobicContact CG2-CG2 3.49Å; V105-V110 VanDerWaalsContact CG2-CG2 3.49Å; V105-Y143 HydrophobicContact CB-CE1 3.87Å; V105-Y143 HydrophobicContact CG1-CD1 3.91Å; V105-Y143 HydrophobicContact CG1-CE1 3.76Å; V105-Y143 WeakPolarHBondContact O-CE1 3.41Å; V105-V146 HydrophobicContact CG1-CG1 4.43Å; V105-V146 HydrophobicContact CG1-CG2 3.62Å; V105-P150 HydrophobicContact CG2-CB 4.34Å; V105-L151 HydrophobicContact CG2-CD2 4.4Å |
| 106 | E | 63.4 | Low | 69.2 | Low | 94 Ų | 94 | 66 Ų | 66 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 29.5 | -175.1 | -62.5 | -174.9 | 158.4 | 0 | 0 | 114.2 | H108 Y143 K144 G145 V146 | E106-H108 VanDerWaalsContact C-N 3.3Å; E106-H108 PolarHBondContact O-CD2 2.98Å; E106-H108 PolarHBondContact O-N 2.83Å; E106-Y143 HydrophobicContact CB-CD1 4.26Å; E106-Y143 HydrophobicContact CG-CD1 4.43Å; E106-K144 PolarHBondContact OE2-N 3.47Å; E106-G145 VanDerWaalsContact OE1-CA 3.28Å; E106-G145 WeakPolarHBondContact OE1-CA 3.32Å; E106-G145 PolarHBondContact OE1-N 2.63Å; E106-G145 VanDerWaalsContact OE1-N 3.12Å; E106-V146 HydrophobicContact CG-CG2 3.67Å; E106-V146 WeakPolarHBondContact OE1-CG2 3.34Å; E106-V146 PolarHBondContact OE1-N 3.45Å |
| 107 | G | 52.7 | Low | 69.8 | Low | 65 Ų | 65 | 62.7 Ų | 62.7 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -4.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V105 | V105-G107 PolarHBondContact O-N 3.31Š|
| 108 | H | 54.9 | Low | 71 | Confident | 131 Ų | 131 | 60.7 Ų | 60.7 | 61% | 0.606 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141.6 | 176.3 | -61.6 | -75.8 | 0 | 0 | 0 | 110.9 | L104 V105 E106 | L104-H108 CarbonylContact C-O 3.39Å; L104-H108 VanDerWaalsContact CA-O 3.27Å; L104-H108 WeakPolarHBondContact CA-O 3.36Å; V105-H108 PolarHBondContact N-O 3.49Å; V105-H108 PolarHBondContact O-N 2.82Å; V105-H108 VanDerWaalsContact O-O 3.05Å; E106-H108 VanDerWaalsContact C-N 3.3Å; E106-H108 PolarHBondContact O-CD2 2.98Å; E106-H108 PolarHBondContact O-N 2.83Å |
| 109 | F | 65.6 | Low | 72.3 | Confident | 141 Ų | 141 | 57.5 Ų | 57.5 | 62% | 0.618 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 138.9 | 168.1 | -70.8 | -75.9 | 0 | 0 | 0 | 110.2 | V102 L104 D111 | V102-F109 HydrophobicContact CB-CD1 4.14Å; V102-F109 HydrophobicContact CG1-CB 4.09Å; V102-F109 HydrophobicContact CG1-CD1 4.01Å; V102-F109 HydrophobicContact CG1-CG 4.49Å; L104-F109 HydrophobicContact CD1-CD1 4.04Å; L104-F109 HydrophobicContact CD1-CE1 3.64Å; L104-F109 HydrophobicContact CD1-CZ 4.21Å; L104-F109 HydrophobicContact CD2-CD1 4.26Å; L104-F109 HydrophobicContact CD2-CD2 4.42Å; L104-F109 HydrophobicContact CD2-CE1 4.16Å; L104-F109 HydrophobicContact CD2-CE2 4.31Å; L104-F109 HydrophobicContact CD2-CG 4.39Å; L104-F109 HydrophobicContact CD2-CZ 4.18Å; L104-F109 HydrophobicContact CG-CD1 3.75Å; L104-F109 HydrophobicContact CG-CE1 3.8Å; L104-F109 HydrophobicContact CG-CG 4.24Å; L104-F109 HydrophobicContact CG-CZ 4.33Å; F109-D111 PolarHBondContact O-N 3.44Å |
| 110 | V | 70.1 | Confident | 73.6 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | trans | -74 | 121.1 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | V102 P103 V105 L112 L115 Y143 L151 | V102-V110 WeakPolarHBondContact CG1-O 3.4Å; P103-V110 HydrophobicContact CG-CB 4.13Å; P103-V110 HydrophobicContact CG-CG2 4.01Å; P103-V110 PolarHBondContact O-N 2.86Å; V105-V110 HydrophobicContact CB-CG2 3.94Å; V105-V110 HydrophobicContact CG2-CG2 3.49Å; V105-V110 VanDerWaalsContact CG2-CG2 3.49Å; V110-L112 HydrophobicContact CB-CD2 4.49Å; V110-L112 HydrophobicContact CG1-CD2 4.16Å; V110-L112 PolarHBondContact O-N 3.31Å; V110-L115 HydrophobicContact CG1-CD2 3.74Å; V110-Y143 WeakPolarHBondContact CA-OH 3.37Å; V110-L151 HydrophobicContact CG1-CD2 4.1Å; V110-L151 HydrophobicContact CG2-CD2 4.19Å | ||
| 111 | D | 74.6 | Confident | 74.7 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 43% | 0.428 | 30% | 0.301 | S | S | . | . | trans | -66.6 | 96.1 | 167.7 | -177.1 | -15.7 | 0 | 0 | 0 | 109.3 | F109 Y113 A114 L115 | F109-D111 PolarHBondContact O-N 3.44Å; D111-Y113 VanDerWaalsContact C-N 3.26Å; D111-Y113 PolarHBondContact O-N 3.45Å; D111-Y113 WeakPolarHBondContact OD1-CA 3.46Å; D111-Y113 PolarHBondContact OD1-N 3.04Å; D111-A114 HydrophobicContact CB-CB 4.09Å; D111-A114 VanDerWaalsContact CG-CB 3.4Å; D111-A114 PolarHBondContact OD1-N 3.09Å; D111-A114 WeakPolarHBondContact OD2-CB 3.24Å; D111-L115 WeakPolarHBondContact O-CB 3.4Å; D111-L115 PolarHBondContact O-N 3.32Å | ||
| 112 | L | 81.1 | Confident | 75.8 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -27.5 | -179.5 | -64.8 | 179 | 0 | 0 | 0 | 112.1 | F85 M86 L89 L100 V102 V110 Y116 I158 L159 | F85-L112 HydrophobicContact CE1-CB 4.45Å; M86-L112 HydrophobicContact CE-CD1 4.27Å; M86-L112 HydrophobicContact SD-CB 4.01Å; M86-L112 HydrophobicContact SD-CD1 4.26Å; L89-L112 HydrophobicContact CD2-CB 4.34Å; L89-L112 HydrophobicContact CD2-CD1 3.94Å; L100-L112 HydrophobicContact CD1-CD1 4.48Å; V102-L112 HydrophobicContact CG1-CD1 4.37Å; V102-L112 HydrophobicContact CG1-CG 4.4Å; V102-L112 HydrophobicContact CG2-CD1 4.16Å; V110-L112 HydrophobicContact CB-CD2 4.49Å; V110-L112 HydrophobicContact CG1-CD2 4.16Å; V110-L112 PolarHBondContact O-N 3.31Å; L112-Y116 WeakPolarHBondContact O-CB 3.22Å; L112-Y116 PolarHBondContact O-N 3.4Å; L112-I158 HydrophobicContact CD1-CG2 4.05Å; L112-I158 HydrophobicContact CD2-CD1 4.29Å; L112-I158 HydrophobicContact CD2-CG2 4.48Å; L112-L159 HydrophobicContact CB-CD1 4.47Å; L112-L159 HydrophobicContact CB-CD2 4.3Å; L112-L159 HydrophobicContact CD2-CD1 4.14Å; L112-L159 HydrophobicContact CD2-CG 4.38Å |
| 113 | Y | 82.6 | Confident | 76.7 | Confident | 25 Ų | 25 | 53 Ų | 53 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77.2 | -49 | 178.5 | 175.8 | -123 | 0 | 0 | 0 | 111.7 | F85 D111 L115 Y116 K117 | F85-Y113 HydrophobicContact CB-CD2 3.49Å; F85-Y113 VanDerWaalsContact CB-CD2 3.49Å; F85-Y113 HydrophobicContact CB-CE2 4Å; F85-Y113 HydrophobicContact CB-CG 4.14Å; F85-Y113 AromaticContact CD1-CD2 3.78Å; F85-Y113 HydrophobicContact CD1-CD2 3.78Å; F85-Y113 HydrophobicContact CD1-CG 4.16Å; F85-Y113 AromaticContact CD2-CD2 3.92Å; F85-Y113 HydrophobicContact CD2-CD2 3.92Å; F85-Y113 HydrophobicContact CD2-CE2 4.43Å; F85-Y113 HydrophobicContact CE1-CD2 4.49Å; F85-Y113 AromaticContact CG-CD2 3.44Å; F85-Y113 HydrophobicContact CG-CD2 3.44Å; F85-Y113 VanDerWaalsContact CG-CD2 3.44Å; F85-Y113 HydrophobicContact CG-CE2 4.22Å; F85-Y113 HydrophobicContact CG-CG 4.21Å; D111-Y113 VanDerWaalsContact C-N 3.26Å; D111-Y113 PolarHBondContact O-N 3.45Å; D111-Y113 WeakPolarHBondContact OD1-CA 3.46Å; D111-Y113 PolarHBondContact OD1-N 3.04Å; Y113-L115 VanDerWaalsContact C-N 3.3Å; Y113-L115 PolarHBondContact O-N 3.49Å; Y113-Y116 PolarHBondContact O-N 2.86Å; Y113-K117 HydrophobicContact CE1-CD 4.24Å; Y113-K117 VanDerWaalsContact O-CB 3.24Å; Y113-K117 WeakPolarHBondContact O-CB 3.48Å; Y113-K117 PolarHBondContact O-N 2.88Å; Y113-K117 PolarHBondContact OH-NZ 2.82Å |
| 114 | A | 80.2 | Confident | 77.9 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D111 K117 L118 L141 | D111-A114 HydrophobicContact CB-CB 4.09Å; D111-A114 VanDerWaalsContact CG-CB 3.4Å; D111-A114 PolarHBondContact OD1-N 3.09Å; D111-A114 WeakPolarHBondContact OD2-CB 3.24Å; A114-K117 PolarHBondContact O-N 3.33Å; A114-L118 VanDerWaalsContact O-CB 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.38Å; A114-L118 VanDerWaalsContact O-CG 3.22Å; A114-L118 WeakPolarHBondContact O-CG 3.45Å; A114-L118 PolarHBondContact O-N 3.34Å; A114-L141 HydrophobicContact CB-CD2 3.75Å |
| 115 | L | 87.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 174.7 | 177.9 | 60.5 | 0 | 0 | 0 | 111.9 | V110 D111 Y113 V119 W134 L141 Y155 L159 | V110-L115 HydrophobicContact CG1-CD2 3.74Å; D111-L115 WeakPolarHBondContact O-CB 3.4Å; D111-L115 PolarHBondContact O-N 3.32Å; Y113-L115 VanDerWaalsContact C-N 3.3Å; Y113-L115 PolarHBondContact O-N 3.49Å; L115-V119 HydrophobicContact CD1-CG2 4.26Å; L115-V119 WeakPolarHBondContact O-CB 3.47Å; L115-V119 WeakPolarHBondContact O-CG2 3.45Å; L115-V119 PolarHBondContact O-N 2.94Å; L115-V119 VanDerWaalsContact O-N 3.1Å; L115-W134 HydrophobicContact CD1-CZ3 4.22Å; L115-L141 HydrophobicContact CB-CD1 4.06Å; L115-L141 HydrophobicContact CD1-CD1 3.75Å; L115-L141 HydrophobicContact CG-CD1 4.45Å; L115-Y155 HydrophobicContact CD1-CD2 4.15Å; L115-Y155 HydrophobicContact CD2-CD2 4.07Å; L115-Y155 HydrophobicContact CG-CD2 3.74Å; L115-Y155 HydrophobicContact CG-CE2 4.19Å; L115-L159 HydrophobicContact CB-CD1 4.4Å; L115-L159 HydrophobicContact CD2-CD1 3.96Å; L115-L159 HydrophobicContact CG-CD1 4.05Å |
| 116 | Y | 89.3 | Confident | 80.6 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 12% | 0.122 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.8 | -51.6 | 173.7 | -179.6 | -100.4 | 0 | 0 | 0 | 111.9 | F85 L112 Y113 L118 V119 M120 Y155 L159 F162 E163 | F85-Y116 HydrophobicContact CD2-CD1 4.1Å; F85-Y116 HydrophobicContact CD2-CE1 4.39Å; F85-Y116 AromaticContact CE2-CD1 3.32Å; F85-Y116 HydrophobicContact CE2-CD1 3.32Å; F85-Y116 HydrophobicContact CE2-CD2 4.1Å; F85-Y116 AromaticContact CE2-CE1 3.68Å; F85-Y116 HydrophobicContact CE2-CE1 3.68Å; F85-Y116 HydrophobicContact CE2-CE2 4.39Å; F85-Y116 AromaticContact CE2-CG 3.56Å; F85-Y116 HydrophobicContact CE2-CG 3.56Å; F85-Y116 AromaticContact CZ-CD1 3.79Å; F85-Y116 HydrophobicContact CZ-CD1 3.79Å; F85-Y116 HydrophobicContact CZ-CD2 4.01Å; F85-Y116 HydrophobicContact CZ-CE1 4.47Å; F85-Y116 AromaticContact CZ-CG 3.52Å; F85-Y116 HydrophobicContact CZ-CG 3.52Å; L112-Y116 WeakPolarHBondContact O-CB 3.22Å; L112-Y116 PolarHBondContact O-N 3.4Å; Y113-Y116 PolarHBondContact O-N 2.86Å; Y116-L118 PolarHBondContact O-N 2.98Å; Y116-V119 PolarHBondContact O-N 3.32Å; Y116-M120 HydrophobicContact CD1-CG 4.19Å; Y116-M120 HydrophobicContact CD2-CG 4.17Å; Y116-M120 HydrophobicContact CE1-CG 3.87Å; Y116-M120 HydrophobicContact CE2-CG 3.85Å; Y116-M120 HydrophobicContact CE2-SD 4.24Å; Y116-M120 HydrophobicContact CG-CG 4.34Å; Y116-M120 WeakPolarHBondContact O-CB 3.37Å; Y116-M120 WeakPolarHBondContact O-CG 3.45Å; Y116-M120 PolarHBondContact O-N 3.2Å; Y116-Y155 VanDerWaalsContact CD2-OH 3.32Å; Y116-Y155 WeakPolarHBondContact CD2-OH 3.39Å; Y116-L159 HydrophobicContact CD2-CD2 4.42Å; Y116-F162 HydrophobicContact CE2-CD1 4.17Å; Y116-E163 HydrophobicContact CE2-CB 4.07Å |
| 117 | K | 84.3 | Confident | 82 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.2 | -45.6 | -179 | -168.9 | 171.2 | -171.3 | 167.5 | 0 | 111.9 | Y113 A114 Q121 L508 | Y113-K117 HydrophobicContact CE1-CD 4.24Å; Y113-K117 VanDerWaalsContact O-CB 3.24Å; Y113-K117 WeakPolarHBondContact O-CB 3.48Å; Y113-K117 PolarHBondContact O-N 2.88Å; Y113-K117 PolarHBondContact OH-NZ 2.82Å; A114-K117 PolarHBondContact O-N 3.33Å; K117-Q121 WeakPolarHBondContact O-CB 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.4Å; K117-Q121 PolarHBondContact O-N 3.03Å; K117-L508 PolarHBondContact NZ-O 3.26Å |
| 118 | L | 87.9 | Confident | 83.8 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.2 | -32.4 | -179.7 | -71.3 | 171.2 | 0 | 0 | 0 | 113.3 | A114 Y116 R122 L137 L140 L141 | A114-L118 VanDerWaalsContact O-CB 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.38Å; A114-L118 VanDerWaalsContact O-CG 3.22Å; A114-L118 WeakPolarHBondContact O-CG 3.45Å; A114-L118 PolarHBondContact O-N 3.34Å; Y116-L118 PolarHBondContact O-N 2.98Å; L118-R122 VanDerWaalsContact O-CD 3.3Å; L118-R122 WeakPolarHBondContact O-CD 3.43Å; L118-R122 WeakPolarHBondContact O-CG 3.29Å; L118-R122 PolarHBondContact O-NH1 3.28Å; L118-L137 HydrophobicContact CB-CD2 3.48Å; L118-L137 VanDerWaalsContact CB-CD2 3.48Å; L118-L137 HydrophobicContact CD1-CD2 4.5Å; L118-L140 HydrophobicContact CD1-CB 4.15Å; L118-L141 HydrophobicContact CD1-CD2 3.81Å; L118-L141 HydrophobicContact CD1-CG 3.95Å |
| 119 | V | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.4 | -45.4 | 175.5 | 167 | 0 | 0 | 0 | 0 | 111.2 | L115 Y116 Q121 R122 G123 G124 C128 W134 L137 Y155 | L115-V119 HydrophobicContact CD1-CG2 4.26Å; L115-V119 WeakPolarHBondContact O-CB 3.47Å; L115-V119 WeakPolarHBondContact O-CG2 3.45Å; L115-V119 PolarHBondContact O-N 2.94Å; L115-V119 VanDerWaalsContact O-N 3.1Å; Y116-V119 PolarHBondContact O-N 3.32Å; V119-Q121 VanDerWaalsContact C-N 3.35Å; V119-Q121 PolarHBondContact O-N 3.4Å; V119-R122 CarbonylContact O-C 3.03Å; V119-R122 WeakPolarHBondContact O-CA 3.3Å; V119-R122 WeakPolarHBondContact O-CB 3.23Å; V119-R122 PolarHBondContact O-N 2.89Å; V119-G123 PolarHBondContact O-N 2.77Å; V119-G124 PolarHBondContact O-N 3.38Å; V119-C128 HydrophobicContact CG1-CB 4.45Å; V119-W134 HydrophobicContact CG2-CH2 3.75Å; V119-W134 HydrophobicContact CG2-CZ2 4.49Å; V119-W134 HydrophobicContact CG2-CZ3 4Å; V119-L137 HydrophobicContact CG2-CD1 3.54Å; V119-L137 HydrophobicContact CG2-CD2 4.32Å; V119-Y155 HydrophobicContact CB-CD2 4.27Å; V119-Y155 HydrophobicContact CB-CE2 3.46Å; V119-Y155 VanDerWaalsContact CB-CE2 3.46Å; V119-Y155 HydrophobicContact CG1-CD2 4.37Å; V119-Y155 HydrophobicContact CG1-CE1 4.12Å; V119-Y155 HydrophobicContact CG1-CE2 3.62Å; V119-Y155 VanDerWaalsContact CG1-CZ 3.46Å; V119-Y155 WeakPolarHBondContact CG1-OH 3.25Å; V119-Y155 HydrophobicContact CG2-CD2 3.83Å; V119-Y155 HydrophobicContact CG2-CE2 3.5Å |
| 120 | M | 89.9 | Confident | 86.4 | Confident | 76 Ų | 76 | 41 Ų | 41 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.6 | -42 | 175.6 | -70.2 | -60.2 | -74.2 | 0 | 0 | 111.9 | Y116 R122 G123 E163 | Y116-M120 HydrophobicContact CD1-CG 4.19Å; Y116-M120 HydrophobicContact CD2-CG 4.17Å; Y116-M120 HydrophobicContact CE1-CG 3.87Å; Y116-M120 HydrophobicContact CE2-CG 3.85Å; Y116-M120 HydrophobicContact CE2-SD 4.24Å; Y116-M120 HydrophobicContact CG-CG 4.34Å; Y116-M120 WeakPolarHBondContact O-CB 3.37Å; Y116-M120 WeakPolarHBondContact O-CG 3.45Å; Y116-M120 PolarHBondContact O-N 3.2Å; M120-R122 PolarHBondContact O-N 3.02Å; M120-G123 PolarHBondContact O-N 3.08Å; M120-E163 HydrophobicContact CE-CG 4.45Å; M120-E163 VanDerWaalsContact SD-CD 3.55Å; M120-E163 HydrophobicContact SD-CG 3.66Å |
| 121 | Q | 87.2 | Confident | 87.3 | Confident | 130 Ų | 130 | 45.7 Ų | 45.7 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -14.6 | 171.4 | -78.7 | 175.3 | -11.5 | 0 | 0 | 114.7 | K117 V119 | K117-Q121 WeakPolarHBondContact O-CB 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.4Å; K117-Q121 PolarHBondContact O-N 3.03Å; V119-Q121 VanDerWaalsContact C-N 3.35Å; V119-Q121 PolarHBondContact O-N 3.4Å |
| 122 | R | 89.2 | Confident | 87.7 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 9.1 | 178.7 | -74.4 | 163.4 | -179.9 | 69 | 10 | 113 | L118 V119 M120 A127 C128 K133 E136 | L118-R122 VanDerWaalsContact O-CD 3.3Å; L118-R122 WeakPolarHBondContact O-CD 3.43Å; L118-R122 WeakPolarHBondContact O-CG 3.29Å; L118-R122 PolarHBondContact O-NH1 3.28Å; V119-R122 CarbonylContact O-C 3.03Å; V119-R122 WeakPolarHBondContact O-CA 3.3Å; V119-R122 WeakPolarHBondContact O-CB 3.23Å; V119-R122 PolarHBondContact O-N 2.89Å; M120-R122 PolarHBondContact O-N 3.02Å; R122-A127 WeakPolarHBondContact O-CB 3.19Å; R122-C128 WeakPolarHBondContact CB-SG 3.35Å; R122-K133 HydrophobicContact CB-CD 4.07Å; R122-K133 HydrophobicContact CG-CD 3.99Å; R122-E136 IonicContact CZ-OE1 2.66Å; R122-E136 IonicContact NE-OE1 3.96Å; R122-E136 PolarHBondContact NE-OE1 3.11Å; R122-E136 IonicContact NH2-OE1 3.73Å; R122-E136 PolarHBondContact NH2-OE1 2.96Å |
| 123 | G | 87.6 | Confident | 87.9 | Confident | 57 Ų | 57 | 52 Ų | 52 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.9 | 20.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V119 M120 A127 | V119-G123 PolarHBondContact O-N 2.77Å; M120-G123 PolarHBondContact O-N 3.08Å; G123-A127 WeakPolarHBondContact O-CB 3.44Å |
| 124 | G | 91.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | 83.7 | -177.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V119 E126 A127 C128 E163 | V119-G124 PolarHBondContact O-N 3.38Å; G124-E126 PolarHBondContact O-N 3.34Å; G124-A127 PolarHBondContact O-N 3.34Å; G124-C128 PolarHBondContact O-N 2.91Å; G124-C128 PolarHBondContact O-SG 3.19Å; G124-E163 VanDerWaalsContact CA-OE1 3.3Å; G124-E163 WeakPolarHBondContact CA-OE1 3.42Å |
| 125 | F | 91.6 | Very high | 88.1 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | -173.3 | 176.7 | -98.9 | 0 | 0 | 0 | 113 | C128 C129 W134 K152 Y155 E156 L160 E163 | F125-C128 PolarHBondContact O-N 3.01Å; F125-C129 PolarHBondContact O-N 2.96Å; F125-C129 PolarHBondContact O-SG 3.29Å; F125-W134 AromaticContact CD2-CH2 3.79Å; F125-W134 HydrophobicContact CD2-CH2 3.79Å; F125-W134 AromaticContact CD2-CZ2 3.47Å; F125-W134 HydrophobicContact CD2-CZ2 3.47Å; F125-W134 VanDerWaalsContact CD2-CZ2 3.47Å; F125-W134 HydrophobicContact CE2-CH2 4.07Å; F125-W134 AromaticContact CE2-CZ2 3.69Å; F125-W134 HydrophobicContact CE2-CZ2 3.69Å; F125-W134 HydrophobicContact CG-CZ2 4.41Å; F125-K152 HydrophobicContact CE2-CG 3.73Å; F125-K152 HydrophobicContact CZ-CD 4.36Å; F125-K152 HydrophobicContact CZ-CG 4Å; F125-Y155 HydrophobicContact CB-CD1 4.1Å; F125-Y155 HydrophobicContact CB-CE1 3.93Å; F125-Y155 AromaticContact CD2-CD1 3.43Å; F125-Y155 HydrophobicContact CD2-CD1 3.43Å; F125-Y155 VanDerWaalsContact CD2-CD1 3.43Å; F125-Y155 HydrophobicContact CD2-CE1 4.13Å; F125-Y155 AromaticContact CD2-CG 3.95Å; F125-Y155 HydrophobicContact CD2-CG 3.95Å; F125-Y155 HydrophobicContact CE2-CD1 4.22Å; F125-Y155 HydrophobicContact CG-CD1 4.12Å; F125-Y155 HydrophobicContact CG-CE1 4.45Å; F125-E156 HydrophobicContact CE1-CG 4.2Å; F125-E156 HydrophobicContact CE2-CB 3.77Å; F125-E156 HydrophobicContact CE2-CG 4.28Å; F125-E156 HydrophobicContact CZ-CB 3.6Å; F125-E156 VanDerWaalsContact CZ-CD 3.49Å; F125-E156 HydrophobicContact CZ-CG 3.59Å; F125-L160 HydrophobicContact CB-CD1 3.89Å; F125-L160 HydrophobicContact CD1-CD1 4.07Å; F125-L160 HydrophobicContact CD1-CD2 3.75Å; F125-L160 HydrophobicContact CD1-CG 4.45Å; F125-L160 HydrophobicContact CE1-CD2 3.85Å; F125-L160 HydrophobicContact CG-CD1 4.12Å; F125-L160 HydrophobicContact CG-CD2 4.28Å; F125-L160 HydrophobicContact CZ-CD2 4.46Å; F125-E163 PolarHBondContact N-OE1 2.9Å |
| 126 | E | 91.2 | Very high | 88 | Confident | 156 Ų | 156 | 57.2 Ų | 57.2 | 73% | 0.729 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | -178.6 | -63.8 | -166.3 | 154.7 | 0 | 0 | 111.7 | G124 C128 C129 A130 | G124-E126 PolarHBondContact O-N 3.34Å; E126-C128 VanDerWaalsContact C-N 3.35Å; E126-C128 PolarHBondContact O-N 3.09Å; E126-C129 WeakPolarHBondContact O-CB 3.46Å; E126-C129 PolarHBondContact O-N 3.11Å; E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.11Å |
| 127 | A | 91.6 | Very high | 87.7 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R122 G123 G124 C129 A130 Q131 | R122-A127 WeakPolarHBondContact O-CB 3.19Å; G123-A127 WeakPolarHBondContact O-CB 3.44Å; G124-A127 PolarHBondContact O-N 3.34Å; A127-C129 VanDerWaalsContact C-N 3.31Å; A127-C129 PolarHBondContact O-N 3.03Å; A127-A130 PolarHBondContact O-N 2.97Å; A127-Q131 VanDerWaalsContact O-CB 3.23Å; A127-Q131 WeakPolarHBondContact O-CB 3.47Å; A127-Q131 VanDerWaalsContact O-CG 3.25Å; A127-Q131 WeakPolarHBondContact O-CG 3.44Å; A127-Q131 PolarHBondContact O-N 2.99Å |
| 128 | C | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 175.1 | -70.1 | 0 | 0 | 0 | 0 | 112.7 | V119 R122 G124 F125 E126 H132 K133 W134 L137 | V119-C128 HydrophobicContact CG1-CB 4.45Å; R122-C128 WeakPolarHBondContact CB-SG 3.35Å; G124-C128 PolarHBondContact O-N 2.91Å; G124-C128 PolarHBondContact O-SG 3.19Å; F125-C128 PolarHBondContact O-N 3.01Å; E126-C128 VanDerWaalsContact C-N 3.35Å; E126-C128 PolarHBondContact O-N 3.09Å; C128-H132 PolarHBondContact O-N 3.11Å; C128-K133 PolarHBondContact O-N 2.93Å; C128-W134 HydrophobicContact CB-CZ2 3.86Å; C128-W134 PolarHBondContact O-NE1 2.96Å; C128-L137 HydrophobicContact CB-CD1 4.32Å |
| 129 | C | 88.5 | Confident | 87.2 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 22% | 0.223 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.2 | -52.8 | 172.8 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | F125 E126 A127 Q131 H132 W134 K152 | F125-C129 PolarHBondContact O-N 2.96Å; F125-C129 PolarHBondContact O-SG 3.29Å; E126-C129 WeakPolarHBondContact O-CB 3.46Å; E126-C129 PolarHBondContact O-N 3.11Å; A127-C129 VanDerWaalsContact C-N 3.31Å; A127-C129 PolarHBondContact O-N 3.03Å; C129-Q131 VanDerWaalsContact C-N 3.27Å; C129-Q131 PolarHBondContact O-N 2.96Å; C129-H132 PolarHBondContact O-N 3.22Å; C129-H132 VanDerWaalsContact O-N 3.12Å; C129-W134 PolarHBondContact SG-NE1 2.74Å; C129-K152 VanDerWaalsContact SG-CE 3.5Å |
| 130 | A | 86.4 | Confident | 86.7 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.6 | -29.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E126 A127 | E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.11Å; A127-A130 PolarHBondContact O-N 2.97Å |
| 131 | Q | 89.1 | Confident | 85.9 | Confident | 103 Ų | 103 | 62.4 Ų | 62.4 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 7.3 | 178.1 | -58.5 | 170.3 | 32.3 | 0 | 0 | 112.7 | A127 C129 K133 | A127-Q131 VanDerWaalsContact O-CB 3.23Å; A127-Q131 WeakPolarHBondContact O-CB 3.47Å; A127-Q131 VanDerWaalsContact O-CG 3.25Å; A127-Q131 WeakPolarHBondContact O-CG 3.44Å; A127-Q131 PolarHBondContact O-N 2.99Å; C129-Q131 VanDerWaalsContact C-N 3.27Å; C129-Q131 PolarHBondContact O-N 2.96Å; Q131-K133 HydrophobicContact CB-CD 4Å; Q131-K133 HydrophobicContact CB-CG 3.98Å; Q131-K133 PolarHBondContact O-N 3.4Å; Q131-K133 VanDerWaalsContact O-N 3.11Å |
| 132 | H | 83.3 | Confident | 85.2 | Confident | 162 Ų | 162 | 60.6 Ų | 60.6 | 75% | 0.75 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 25.9 | 179.5 | -61.7 | -88.4 | 0 | 0 | 0 | 115.5 | C128 C129 W134 | C128-H132 PolarHBondContact O-N 3.11Å; C129-H132 PolarHBondContact O-N 3.22Å; C129-H132 VanDerWaalsContact O-N 3.12Å; H132-W134 VanDerWaalsContact C-N 3.26Å; H132-W134 PolarHBondContact O-N 3.39Å |
| 133 | K | 86.1 | Confident | 84.3 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -5.7 | -171 | -75.5 | 176.3 | 163.6 | 172.4 | 0 | 115.3 | R122 C128 Q131 S135 E136 L137 | R122-K133 HydrophobicContact CB-CD 4.07Å; R122-K133 HydrophobicContact CG-CD 3.99Å; C128-K133 PolarHBondContact O-N 2.93Å; Q131-K133 HydrophobicContact CB-CD 4Å; Q131-K133 HydrophobicContact CB-CG 3.98Å; Q131-K133 PolarHBondContact O-N 3.4Å; Q131-K133 VanDerWaalsContact O-N 3.11Å; K133-S135 VanDerWaalsContact C-N 3.28Å; K133-S135 PolarHBondContact O-N 3.08Å; K133-E136 WeakPolarHBondContact O-CA 3.49Å; K133-E136 VanDerWaalsContact O-CB 3.27Å; K133-E136 WeakPolarHBondContact O-CB 3.39Å; K133-E136 PolarHBondContact O-N 3.33Å; K133-L137 PolarHBondContact O-N 3.02Å |
| 134 | W | 86.8 | Confident | 82.8 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 6% | 0.064 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.8 | -35.9 | -178.7 | -65.8 | 98 | 0 | 0 | 0 | 113.9 | L115 V119 F125 C128 C129 H132 E136 L137 S138 A148 L151 K152 Y155 | L115-W134 HydrophobicContact CD1-CZ3 4.22Å; V119-W134 HydrophobicContact CG2-CH2 3.75Å; V119-W134 HydrophobicContact CG2-CZ2 4.49Å; V119-W134 HydrophobicContact CG2-CZ3 4Å; F125-W134 AromaticContact CD2-CH2 3.79Å; F125-W134 HydrophobicContact CD2-CH2 3.79Å; F125-W134 AromaticContact CD2-CZ2 3.47Å; F125-W134 HydrophobicContact CD2-CZ2 3.47Å; F125-W134 VanDerWaalsContact CD2-CZ2 3.47Å; F125-W134 HydrophobicContact CE2-CH2 4.07Å; F125-W134 AromaticContact CE2-CZ2 3.69Å; F125-W134 HydrophobicContact CE2-CZ2 3.69Å; F125-W134 HydrophobicContact CG-CZ2 4.41Å; C128-W134 HydrophobicContact CB-CZ2 3.86Å; C128-W134 PolarHBondContact O-NE1 2.96Å; C129-W134 PolarHBondContact SG-NE1 2.74Å; H132-W134 VanDerWaalsContact C-N 3.26Å; H132-W134 PolarHBondContact O-N 3.39Å; W134-E136 VanDerWaalsContact C-N 3.27Å; W134-E136 PolarHBondContact O-N 3.43Å; W134-L137 HydrophobicContact CD2-CD1 4.15Å; W134-L137 HydrophobicContact CE3-CD1 3.85Å; W134-L137 HydrophobicContact CZ3-CD1 4.11Å; W134-L137 PolarHBondContact O-N 3.1Å; W134-S138 WeakPolarHBondContact O-CB 3.33Å; W134-S138 PolarHBondContact O-N 3.3Å; W134-A148 HydrophobicContact CB-CB 3.73Å; W134-A148 WeakPolarHBondContact O-CB 3.43Å; W134-L151 HydrophobicContact CE3-CB 4.48Å; W134-K152 HydrophobicContact CD2-CB 3.75Å; W134-K152 HydrophobicContact CD2-CG 4.1Å; W134-K152 HydrophobicContact CE3-CB 3.92Å; W134-K152 HydrophobicContact CG-CB 4.19Å; W134-K152 HydrophobicContact CH2-CG 4.5Å; W134-K152 HydrophobicContact CZ2-CB 4.37Å; W134-K152 HydrophobicContact CZ2-CG 4.01Å; W134-K152 HydrophobicContact CZ3-CB 4.29Å; W134-Y155 HydrophobicContact CH2-CD1 4.45Å; W134-Y155 AromaticContact CH2-CD2 3.8Å; W134-Y155 HydrophobicContact CH2-CD2 3.8Å; W134-Y155 AromaticContact CH2-CG 3.72Å; W134-Y155 HydrophobicContact CH2-CG 3.72Å; W134-Y155 HydrophobicContact CZ3-CD2 4.22Å; W134-Y155 HydrophobicContact CZ3-CG 4.38Å |
| 135 | S | 80 | Confident | 81.1 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 51% | 0.51 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -76.8 | -9.4 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 114.1 | K133 R139 | K133-S135 VanDerWaalsContact C-N 3.28Å; K133-S135 PolarHBondContact O-N 3.08Å; S135-R139 PolarHBondContact O-NE 3.24Å; S135-R139 PolarHBondContact O-NH2 3.36Å |
| 136 | E | 84 | Confident | 79.2 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -86 | -50.1 | 166.5 | -174.3 | -157.9 | 123.4 | 0 | 0 | 109.4 | R122 K133 W134 S138 R139 L140 | R122-E136 IonicContact CZ-OE1 2.66Å; R122-E136 IonicContact NE-OE1 3.96Å; R122-E136 PolarHBondContact NE-OE1 3.11Å; R122-E136 IonicContact NH2-OE1 3.73Å; R122-E136 PolarHBondContact NH2-OE1 2.96Å; K133-E136 WeakPolarHBondContact O-CA 3.49Å; K133-E136 VanDerWaalsContact O-CB 3.27Å; K133-E136 WeakPolarHBondContact O-CB 3.39Å; K133-E136 PolarHBondContact O-N 3.33Å; W134-E136 VanDerWaalsContact C-N 3.27Å; W134-E136 PolarHBondContact O-N 3.43Å; E136-S138 VanDerWaalsContact C-N 3.31Å; E136-S138 PolarHBondContact O-N 3.33Å; E136-R139 PolarHBondContact O-N 2.78Å; E136-L140 HydrophobicContact CG-CD1 4.14Å; E136-L140 PolarHBondContact O-N 2.96Å; E136-L140 VanDerWaalsContact O-N 3.07Å |
| 137 | L | 84.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -52.5 | -45.3 | 175.8 | -70.5 | 168.9 | 0 | 0 | 0 | 112.6 | L118 V119 C128 K133 W134 R139 L140 L141 | L118-L137 HydrophobicContact CB-CD2 3.48Å; L118-L137 VanDerWaalsContact CB-CD2 3.48Å; L118-L137 HydrophobicContact CD1-CD2 4.5Å; V119-L137 HydrophobicContact CG2-CD1 3.54Å; V119-L137 HydrophobicContact CG2-CD2 4.32Å; C128-L137 HydrophobicContact CB-CD1 4.32Å; K133-L137 PolarHBondContact O-N 3.02Å; W134-L137 HydrophobicContact CD2-CD1 4.15Å; W134-L137 HydrophobicContact CE3-CD1 3.85Å; W134-L137 HydrophobicContact CZ3-CD1 4.11Å; W134-L137 PolarHBondContact O-N 3.1Å; L137-R139 PolarHBondContact O-N 2.91Å; L137-L140 PolarHBondContact O-N 3.27Å; L137-L140 VanDerWaalsContact O-N 3.16Å; L137-L141 PolarHBondContact O-N 3.44Å |
| 138 | S | 81.2 | Confident | 76.4 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -31.1 | 178.5 | -163.7 | 0 | 0 | 0 | 0 | 113.6 | W134 E136 Y143 | W134-S138 WeakPolarHBondContact O-CB 3.33Å; W134-S138 PolarHBondContact O-N 3.3Å; E136-S138 VanDerWaalsContact C-N 3.31Å; E136-S138 PolarHBondContact O-N 3.33Å; S138-Y143 WeakPolarHBondContact O-CB 3.38Å; S138-Y143 PolarHBondContact O-N 3.04Å |
| 139 | R | 79.7 | Confident | 75.3 | Confident | 177 Ų | 177 | 77.7 Ų | 77.7 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -81.4 | -31.1 | 176.9 | -72.7 | 178.9 | -73.3 | 147.6 | -0.5 | 112.3 | S135 E136 L137 L141 E142 | S135-R139 PolarHBondContact O-NE 3.24Å; S135-R139 PolarHBondContact O-NH2 3.36Å; E136-R139 PolarHBondContact O-N 2.78Å; L137-R139 PolarHBondContact O-N 2.91Å; R139-L141 VanDerWaalsContact C-N 3.32Å; R139-E142 PolarHBondContact O-N 3.37Å |
| 140 | L | 80.7 | Confident | 74.5 | Confident | 90 Ų | 90 | 78.4 Ų | 78.4 | 47% | 0.471 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.8 | -26.1 | 175.5 | -68.4 | 169.3 | 0 | 0 | 0 | 112.7 | L118 E136 L137 E142 | L118-L140 HydrophobicContact CD1-CB 4.15Å; E136-L140 HydrophobicContact CG-CD1 4.14Å; E136-L140 PolarHBondContact O-N 2.96Å; E136-L140 VanDerWaalsContact O-N 3.07Å; L137-L140 PolarHBondContact O-N 3.27Å; L137-L140 VanDerWaalsContact O-N 3.16Å; L140-E142 VanDerWaalsContact C-N 3.26Å |
| 141 | L | 73.7 | Confident | 74.3 | Confident | 31 Ų | 31 | 74.7 Ų | 74.7 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 21.2 | 170 | -65.2 | 170.2 | 0 | 0 | 0 | 112.7 | A114 L115 L118 L137 R139 Y143 L151 | A114-L141 HydrophobicContact CB-CD2 3.75Å; L115-L141 HydrophobicContact CB-CD1 4.06Å; L115-L141 HydrophobicContact CD1-CD1 3.75Å; L115-L141 HydrophobicContact CG-CD1 4.45Å; L118-L141 HydrophobicContact CD1-CD2 3.81Å; L118-L141 HydrophobicContact CD1-CG 3.95Å; L137-L141 PolarHBondContact O-N 3.44Å; R139-L141 VanDerWaalsContact C-N 3.32Å; L141-Y143 HydrophobicContact CB-CD2 3.77Å; L141-Y143 HydrophobicContact CB-CE2 3.8Å; L141-Y143 WeakPolarHBondContact O-CD2 3.43Å; L141-Y143 PolarHBondContact O-N 3.38Å; L141-L151 HydrophobicContact CD1-CD1 4.45Å |
| 142 | E | 73 | Confident | 74.2 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 5.1 | 175.1 | -56.4 | -160.7 | 136.7 | 0 | 0 | 118.3 | S3 R139 L140 K144 | S3-E142 WeakPolarHBondContact CA-OE1 3.45Å; S3-E142 PolarHBondContact N-OE1 2.71Å; R139-E142 PolarHBondContact O-N 3.37Å; L140-E142 VanDerWaalsContact C-N 3.26Å; E142-K144 WeakPolarHBondContact O-CG 3.19Å |
| 143 | Y | 69.9 | Low | 74.1 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | trans | -63.8 | 134.3 | 177.6 | -67.8 | -72.3 | 0 | 0 | 0 | 112.7 | V105 E106 V110 S138 L141 V146 L151 | V105-Y143 HydrophobicContact CB-CE1 3.87Å; V105-Y143 HydrophobicContact CG1-CD1 3.91Å; V105-Y143 HydrophobicContact CG1-CE1 3.76Å; V105-Y143 WeakPolarHBondContact O-CE1 3.41Å; E106-Y143 HydrophobicContact CB-CD1 4.26Å; E106-Y143 HydrophobicContact CG-CD1 4.43Å; V110-Y143 WeakPolarHBondContact CA-OH 3.37Å; S138-Y143 WeakPolarHBondContact O-CB 3.38Å; S138-Y143 PolarHBondContact O-N 3.04Å; L141-Y143 HydrophobicContact CB-CD2 3.77Å; L141-Y143 HydrophobicContact CB-CE2 3.8Å; L141-Y143 WeakPolarHBondContact O-CD2 3.43Å; L141-Y143 PolarHBondContact O-N 3.38Å; Y143-V146 HydrophobicContact CD1-CG2 4.28Å; Y143-V146 HydrophobicContact CG-CG2 4.17Å; Y143-L151 HydrophobicContact CD2-CD1 3.9Å; Y143-L151 HydrophobicContact CD2-CD2 4.36Å; Y143-L151 HydrophobicContact CE2-CD1 4.17Å; Y143-L151 HydrophobicContact CE2-CD2 3.84Å | ||
| 144 | K | 55.9 | Low | 74 | Confident | 200 Ų | 200 | 67.1 Ų | 67.1 | 87% | 0.87 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -113.5 | 36.8 | -165.1 | -66.2 | -176.6 | -174 | 163.1 | 0 | 114.3 | E106 E142 | E106-K144 PolarHBondContact OE2-N 3.47Å; E142-K144 WeakPolarHBondContact O-CG 3.19Å |
| 145 | G | 54.8 | Low | 74.2 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 178.5 | -22.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | E106 R147 | E106-G145 VanDerWaalsContact OE1-CA 3.28Å; E106-G145 WeakPolarHBondContact OE1-CA 3.32Å; E106-G145 PolarHBondContact OE1-N 2.63Å; E106-G145 VanDerWaalsContact OE1-N 3.12Å; G145-R147 PolarHBondContact O-N 2.7Å; G145-R147 VanDerWaalsContact O-N 3.14Å |
| 146 | V | 53.1 | Low | 74.7 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | trans | -54 | 113.6 | -175.6 | -167.5 | 0 | 0 | 0 | 0 | 113.7 | V105 E106 Y143 A148 P150 | V105-V146 HydrophobicContact CG1-CG1 4.43Å; V105-V146 HydrophobicContact CG1-CG2 3.62Å; E106-V146 HydrophobicContact CG-CG2 3.67Å; E106-V146 WeakPolarHBondContact OE1-CG2 3.34Å; E106-V146 PolarHBondContact OE1-N 3.45Å; Y143-V146 HydrophobicContact CD1-CG2 4.28Å; Y143-V146 HydrophobicContact CG-CG2 4.17Å; V146-A148 PolarHBondContact O-N 2.97Å; V146-P150 HydrophobicContact CG1-CB 4.47Å; V146-P150 HydrophobicContact CG1-CG 3.96Å | ||
| 147 | R | 56.7 | Low | 74.7 | Confident | 223 Ų | 223 | 70.5 Ų | 70.5 | 84% | 0.842 | 34% | 0.342 | S | S | * | . | trans | -57.8 | 107.7 | 150.3 | -77.1 | -178.7 | -79.1 | 176.2 | -6.7 | 106.5 | G145 V149 P150 | G145-R147 PolarHBondContact O-N 2.7Å; G145-R147 VanDerWaalsContact O-N 3.14Å; R147-V149 PolarHBondContact O-N 3.06Å; R147-P150 WeakPolarHBondContact O-CD 3.49Å | ||
| 148 | A | 66.8 | Low | 74.6 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -59.6 | 9.7 | -159.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | W134 V146 L151 K152 | W134-A148 HydrophobicContact CB-CB 3.73Å; W134-A148 WeakPolarHBondContact O-CB 3.43Å; V146-A148 PolarHBondContact O-N 2.97Å; A148-L151 PolarHBondContact O-N 2.99Å; A148-K152 PolarHBondContact O-N 3.29Å |
| 149 | V | 67.6 | Low | 75 | Confident | 104 Ų | 104 | 70.3 Ų | 70.3 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.3 | -40.9 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 113.7 | R147 K152 S153 | R147-V149 PolarHBondContact O-N 3.06Å; V149-K152 PolarHBondContact O-N 3.4Å; V149-S153 WeakPolarHBondContact O-CB 3.4Å; V149-S153 PolarHBondContact O-N 3.22Å |
| 150 | P | 72.4 | Confident | 75.5 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.6 | -25.2 | 35.9 | 0 | 0 | 0 | 112.8 | V105 V146 R147 K152 S153 H154 | V105-P150 HydrophobicContact CG2-CB 4.34Å; V146-P150 HydrophobicContact CG1-CB 4.47Å; V146-P150 HydrophobicContact CG1-CG 3.96Å; R147-P150 WeakPolarHBondContact O-CD 3.49Å; P150-K152 PolarHBondContact O-N 3.38Å; P150-S153 PolarHBondContact O-N 3.22Å; P150-H154 WeakPolarHBondContact O-CB 3.21Å; P150-H154 PolarHBondContact O-CD2 2.69Å; P150-H154 PolarHBondContact O-N 2.91Å |
| 151 | L | 81.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.8 | -65.8 | 175.7 | 0 | 0 | 0 | 111.3 | V105 V110 W134 L141 Y143 A148 Y155 | V105-L151 HydrophobicContact CG2-CD2 4.4Å; V110-L151 HydrophobicContact CG1-CD2 4.1Å; V110-L151 HydrophobicContact CG2-CD2 4.19Å; W134-L151 HydrophobicContact CE3-CB 4.48Å; L141-L151 HydrophobicContact CD1-CD1 4.45Å; Y143-L151 HydrophobicContact CD2-CD1 3.9Å; Y143-L151 HydrophobicContact CD2-CD2 4.36Å; Y143-L151 HydrophobicContact CE2-CD1 4.17Å; Y143-L151 HydrophobicContact CE2-CD2 3.84Å; A148-L151 PolarHBondContact O-N 2.99Å; L151-Y155 WeakPolarHBondContact O-CB 3.43Å; L151-Y155 PolarHBondContact O-N 2.76Å |
| 152 | K | 86.8 | Confident | 76.1 | Confident | 65 Ų | 65 | 60 Ų | 60 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.5 | -53.4 | 171.5 | -174.7 | -164.1 | 159.2 | -173.1 | 0 | 110.9 | F125 C129 W134 A148 V149 P150 H154 Y155 E156 | F125-K152 HydrophobicContact CE2-CG 3.73Å; F125-K152 HydrophobicContact CZ-CD 4.36Å; F125-K152 HydrophobicContact CZ-CG 4Å; C129-K152 VanDerWaalsContact SG-CE 3.5Å; W134-K152 HydrophobicContact CD2-CB 3.75Å; W134-K152 HydrophobicContact CD2-CG 4.1Å; W134-K152 HydrophobicContact CE3-CB 3.92Å; W134-K152 HydrophobicContact CG-CB 4.19Å; W134-K152 HydrophobicContact CH2-CG 4.5Å; W134-K152 HydrophobicContact CZ2-CB 4.37Å; W134-K152 HydrophobicContact CZ2-CG 4.01Å; W134-K152 HydrophobicContact CZ3-CB 4.29Å; A148-K152 PolarHBondContact O-N 3.29Å; V149-K152 PolarHBondContact O-N 3.4Å; P150-K152 PolarHBondContact O-N 3.38Å; K152-H154 VanDerWaalsContact C-N 3.33Å; K152-H154 PolarHBondContact O-N 2.92Å; K152-Y155 WeakPolarHBondContact O-CA 3.37Å; K152-Y155 VanDerWaalsContact O-CB 3.3Å; K152-Y155 WeakPolarHBondContact O-CB 3.5Å; K152-Y155 PolarHBondContact O-N 2.74Å; K152-Y155 VanDerWaalsContact O-N 3.12Å; K152-E156 VanDerWaalsContact CE-OE2 3.29Å; K152-E156 WeakPolarHBondContact CE-OE2 3.36Å; K152-E156 IonicContact NZ-OE1 2.64Å; K152-E156 IonicContact NZ-OE2 2.66Å; K152-E156 WeakPolarHBondContact O-CB 3.41Å; K152-E156 PolarHBondContact O-N 3.46Å |
| 153 | S | 80.6 | Confident | 76.9 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | -175.1 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | V149 P150 R157 | V149-S153 WeakPolarHBondContact O-CB 3.4Å; V149-S153 PolarHBondContact O-N 3.22Å; P150-S153 PolarHBondContact O-N 3.22Å; S153-R157 WeakPolarHBondContact O-CB 3.43Å; S153-R157 PolarHBondContact O-N 2.86Å |
| 154 | H | 83.5 | Confident | 77.5 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 173.9 | -65.9 | -9 | 0 | 0 | 0 | 111.8 | P103 P150 K152 I158 | P103-H154 HydrophobicContact CG-CB 4.06Å; P150-H154 WeakPolarHBondContact O-CB 3.21Å; P150-H154 PolarHBondContact O-CD2 2.69Å; P150-H154 PolarHBondContact O-N 2.91Å; K152-H154 VanDerWaalsContact C-N 3.33Å; K152-H154 PolarHBondContact O-N 2.92Å; H154-I158 VanDerWaalsContact O-CB 3.27Å; H154-I158 WeakPolarHBondContact O-CB 3.34Å; H154-I158 WeakPolarHBondContact O-CG1 3.28Å; H154-I158 PolarHBondContact O-N 2.88Å |
| 155 | Y | 92.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -61.9 | -53.5 | 170.8 | -157.4 | -69.3 | 0 | 0 | 0 | 111.7 | L115 Y116 V119 F125 W134 L151 K152 R157 I158 L159 L160 E163 | L115-Y155 HydrophobicContact CD1-CD2 4.15Å; L115-Y155 HydrophobicContact CD2-CD2 4.07Å; L115-Y155 HydrophobicContact CG-CD2 3.74Å; L115-Y155 HydrophobicContact CG-CE2 4.19Å; Y116-Y155 VanDerWaalsContact CD2-OH 3.32Å; Y116-Y155 WeakPolarHBondContact CD2-OH 3.39Å; V119-Y155 HydrophobicContact CB-CD2 4.27Å; V119-Y155 HydrophobicContact CB-CE2 3.46Å; V119-Y155 VanDerWaalsContact CB-CE2 3.46Å; V119-Y155 HydrophobicContact CG1-CD2 4.37Å; V119-Y155 HydrophobicContact CG1-CE1 4.12Å; V119-Y155 HydrophobicContact CG1-CE2 3.62Å; V119-Y155 VanDerWaalsContact CG1-CZ 3.46Å; V119-Y155 WeakPolarHBondContact CG1-OH 3.25Å; V119-Y155 HydrophobicContact CG2-CD2 3.83Å; V119-Y155 HydrophobicContact CG2-CE2 3.5Å; F125-Y155 HydrophobicContact CB-CD1 4.1Å; F125-Y155 HydrophobicContact CB-CE1 3.93Å; F125-Y155 AromaticContact CD2-CD1 3.43Å; F125-Y155 HydrophobicContact CD2-CD1 3.43Å; F125-Y155 VanDerWaalsContact CD2-CD1 3.43Å; F125-Y155 HydrophobicContact CD2-CE1 4.13Å; F125-Y155 AromaticContact CD2-CG 3.95Å; F125-Y155 HydrophobicContact CD2-CG 3.95Å; F125-Y155 HydrophobicContact CE2-CD1 4.22Å; F125-Y155 HydrophobicContact CG-CD1 4.12Å; F125-Y155 HydrophobicContact CG-CE1 4.45Å; W134-Y155 HydrophobicContact CH2-CD1 4.45Å; W134-Y155 AromaticContact CH2-CD2 3.8Å; W134-Y155 HydrophobicContact CH2-CD2 3.8Å; W134-Y155 AromaticContact CH2-CG 3.72Å; W134-Y155 HydrophobicContact CH2-CG 3.72Å; W134-Y155 HydrophobicContact CZ3-CD2 4.22Å; W134-Y155 HydrophobicContact CZ3-CG 4.38Å; L151-Y155 WeakPolarHBondContact O-CB 3.43Å; L151-Y155 PolarHBondContact O-N 2.76Å; K152-Y155 WeakPolarHBondContact O-CA 3.37Å; K152-Y155 VanDerWaalsContact O-CB 3.3Å; K152-Y155 WeakPolarHBondContact O-CB 3.5Å; K152-Y155 PolarHBondContact O-N 2.74Å; K152-Y155 VanDerWaalsContact O-N 3.12Å; Y155-R157 PolarHBondContact O-N 3.41Å; Y155-I158 PolarHBondContact O-N 3.35Å; Y155-L159 HydrophobicContact CD1-CB 3.67Å; Y155-L159 HydrophobicContact CD2-CB 4.04Å; Y155-L159 HydrophobicContact CD2-CD1 3.58Å; Y155-L159 HydrophobicContact CD2-CG 4.45Å; Y155-L159 HydrophobicContact CE1-CB 3.64Å; Y155-L159 HydrophobicContact CE2-CB 4Å; Y155-L159 HydrophobicContact CE2-CD1 3.65Å; Y155-L159 HydrophobicContact CE2-CG 4.48Å; Y155-L159 HydrophobicContact CG-CB 3.87Å; Y155-L159 HydrophobicContact CG-CD1 4.13Å; Y155-L159 CarbonylContact O-C 3.25Å; Y155-L159 WeakPolarHBondContact O-CA 3.3Å; Y155-L159 PolarHBondContact O-N 2.99Å; Y155-L160 HydrophobicContact CD1-CB 4.26Å; Y155-L160 PolarHBondContact O-N 3.23Å; Y155-E163 WeakPolarHBondContact CE1-OE2 3.29Å; Y155-E163 PolarHBondContact OH-OE2 3.46Å |
| 156 | E | 89.5 | Confident | 79.7 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -54.5 | -36.7 | -179.5 | -164.3 | 159.5 | -145.5 | 0 | 0 | 111.6 | F125 K152 L160 | F125-E156 HydrophobicContact CE1-CG 4.2Å; F125-E156 HydrophobicContact CE2-CB 3.77Å; F125-E156 HydrophobicContact CE2-CG 4.28Å; F125-E156 HydrophobicContact CZ-CB 3.6Å; F125-E156 VanDerWaalsContact CZ-CD 3.49Å; F125-E156 HydrophobicContact CZ-CG 3.59Å; K152-E156 VanDerWaalsContact CE-OE2 3.29Å; K152-E156 WeakPolarHBondContact CE-OE2 3.36Å; K152-E156 IonicContact NZ-OE1 2.64Å; K152-E156 IonicContact NZ-OE2 2.66Å; K152-E156 WeakPolarHBondContact O-CB 3.41Å; K152-E156 PolarHBondContact O-N 3.46Å; E156-L160 HydrophobicContact CG-CD2 4.39Å |
| 157 | R | 84.6 | Confident | 80.9 | Confident | 140 Ų | 140 | 50.4 Ų | 50.4 | 53% | 0.528 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -84.8 | -35.8 | 179.2 | -169.9 | 179 | 62.3 | 71.6 | -5.8 | 115 | W93 S153 Y155 | W93-R157 WeakPolarHBondContact CZ2-O 3.48Å; S153-R157 WeakPolarHBondContact O-CB 3.43Å; S153-R157 PolarHBondContact O-N 2.86Å; Y155-R157 PolarHBondContact O-N 3.41Å |
| 158 | I | 82.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -109.6 | -42.3 | -168.5 | -55.5 | 173.7 | 0 | 0 | 0 | 112.7 | L89 W93 L100 P103 L112 H154 Y155 | L89-I158 HydrophobicContact CD2-CG2 4.31Å; W93-I158 WeakPolarHBondContact CZ2-O 3.48Å; W93-I158 PolarHBondContact NE1-O 2.6Å; W93-I158 VanDerWaalsContact NE1-O 3.12Å; L100-I158 HydrophobicContact CD1-CG2 3.63Å; P103-I158 HydrophobicContact CG-CD1 3.8Å; L112-I158 HydrophobicContact CD1-CG2 4.05Å; L112-I158 HydrophobicContact CD2-CD1 4.29Å; L112-I158 HydrophobicContact CD2-CG2 4.48Å; H154-I158 VanDerWaalsContact O-CB 3.27Å; H154-I158 WeakPolarHBondContact O-CB 3.34Å; H154-I158 WeakPolarHBondContact O-CG1 3.28Å; H154-I158 PolarHBondContact O-N 2.88Å; Y155-I158 PolarHBondContact O-N 3.35Å |
| 159 | L | 88.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -103.5 | -33.8 | -166.8 | -69.5 | 174.8 | 0 | 0 | 0 | 113 | F85 L89 L112 L115 Y116 Y155 F162 E163 | F85-L159 HydrophobicContact CE1-CD2 4.1Å; F85-L159 HydrophobicContact CZ-CD2 3.77Å; L89-L159 HydrophobicContact CD1-CD2 4.25Å; L89-L159 HydrophobicContact CD2-CD2 3.69Å; L112-L159 HydrophobicContact CB-CD1 4.47Å; L112-L159 HydrophobicContact CB-CD2 4.3Å; L112-L159 HydrophobicContact CD2-CD1 4.14Å; L112-L159 HydrophobicContact CD2-CG 4.38Å; L115-L159 HydrophobicContact CB-CD1 4.4Å; L115-L159 HydrophobicContact CD2-CD1 3.96Å; L115-L159 HydrophobicContact CG-CD1 4.05Å; Y116-L159 HydrophobicContact CD2-CD2 4.42Å; Y155-L159 HydrophobicContact CD1-CB 3.67Å; Y155-L159 HydrophobicContact CD2-CB 4.04Å; Y155-L159 HydrophobicContact CD2-CD1 3.58Å; Y155-L159 HydrophobicContact CD2-CG 4.45Å; Y155-L159 HydrophobicContact CE1-CB 3.64Å; Y155-L159 HydrophobicContact CE2-CB 4Å; Y155-L159 HydrophobicContact CE2-CD1 3.65Å; Y155-L159 HydrophobicContact CE2-CG 4.48Å; Y155-L159 HydrophobicContact CG-CB 3.87Å; Y155-L159 HydrophobicContact CG-CD1 4.13Å; Y155-L159 CarbonylContact O-C 3.25Å; Y155-L159 WeakPolarHBondContact O-CA 3.3Å; Y155-L159 PolarHBondContact O-N 2.99Å; L159-F162 CarbonylContact O-C 3.42Å; L159-F162 WeakPolarHBondContact O-CB 3.47Å; L159-F162 PolarHBondContact O-N 2.62Å; L159-F162 VanDerWaalsContact O-N 3.1Å; L159-E163 WeakPolarHBondContact O-CB 3.5Å; L159-E163 PolarHBondContact O-N 2.99Å |
| 160 | L | 89.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 177.7 | 177.3 | 61.1 | 0 | 0 | 0 | 113.2 | F125 Y155 E156 F162 E163 I164 | F125-L160 HydrophobicContact CB-CD1 3.89Å; F125-L160 HydrophobicContact CD1-CD1 4.07Å; F125-L160 HydrophobicContact CD1-CD2 3.75Å; F125-L160 HydrophobicContact CD1-CG 4.45Å; F125-L160 HydrophobicContact CE1-CD2 3.85Å; F125-L160 HydrophobicContact CG-CD1 4.12Å; F125-L160 HydrophobicContact CG-CD2 4.28Å; F125-L160 HydrophobicContact CZ-CD2 4.46Å; Y155-L160 HydrophobicContact CD1-CB 4.26Å; Y155-L160 PolarHBondContact O-N 3.23Å; E156-L160 HydrophobicContact CG-CD2 4.39Å; L160-F162 PolarHBondContact O-N 2.76Å; L160-E163 PolarHBondContact O-N 3.49Å; L160-I164 HydrophobicContact CD1-CD1 4.01Å; L160-I164 HydrophobicContact CD1-CG1 4.09Å; L160-I164 HydrophobicContact CG-CD1 4.05Å; L160-I164 WeakPolarHBondContact O-CG1 3.4Å; L160-I164 PolarHBondContact O-N 2.89Å |
| 161 | P | 84 | Confident | 82.1 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | 174.5 | -25 | 36.7 | 0 | 0 | 0 | 113.3 | F92 W93 | F92-P161 HydrophobicContact CE1-CB 4.06Å; F92-P161 VanDerWaalsContact CZ-C 3.41Å; F92-P161 HydrophobicContact CZ-CB 3.81Å; F92-P161 VanDerWaalsContact CZ-O 3.26Å; F92-P161 WeakPolarHBondContact CZ-O 3.48Å; W93-P161 HydrophobicContact CH2-CB 4.28Å; W93-P161 HydrophobicContact CH2-CG 4.03Å; W93-P161 HydrophobicContact CZ2-CB 4.19Å; W93-P161 HydrophobicContact CZ2-CG 4.01Å |
| 162 | F | 83.4 | Confident | 81.1 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.8 | -43.2 | 176.6 | -174.4 | -90.9 | 0 | 0 | 0 | 111.5 | F85 D88 L89 F92 Y116 L159 L160 I164 V165 E166 | F85-F162 HydrophobicContact CD2-CE1 4.22Å; F85-F162 HydrophobicContact CE2-CD1 4.07Å; F85-F162 AromaticContact CE2-CE1 3.6Å; F85-F162 HydrophobicContact CE2-CE1 3.6Å; F85-F162 HydrophobicContact CE2-CZ 4.37Å; F85-F162 HydrophobicContact CZ-CD1 4.42Å; F85-F162 HydrophobicContact CZ-CE1 4.32Å; D88-F162 HydrophobicContact CB-CE2 4.12Å; D88-F162 HydrophobicContact CB-CZ 4Å; L89-F162 HydrophobicContact CB-CD2 4.5Å; L89-F162 HydrophobicContact CB-CE2 4.44Å; L89-F162 HydrophobicContact CD1-CB 3.66Å; L89-F162 HydrophobicContact CD1-CD1 4.34Å; L89-F162 HydrophobicContact CD1-CD2 3.6Å; L89-F162 HydrophobicContact CD1-CE2 4.33Å; L89-F162 HydrophobicContact CD1-CG 3.61Å; F92-F162 HydrophobicContact CB-CD2 3.74Å; F92-F162 HydrophobicContact CB-CE2 3.99Å; F92-F162 HydrophobicContact CD1-CB 4.5Å; F92-F162 HydrophobicContact CD1-CD2 4.13Å; F92-F162 AromaticContact CD2-CD2 3.7Å; F92-F162 HydrophobicContact CD2-CD2 3.7Å; F92-F162 HydrophobicContact CD2-CE2 4.4Å; F92-F162 HydrophobicContact CE1-CB 4.39Å; F92-F162 HydrophobicContact CE2-CB 4.44Å; F92-F162 HydrophobicContact CE2-CD2 4.33Å; F92-F162 AromaticContact CG-CD2 3.6Å; F92-F162 HydrophobicContact CG-CD2 3.6Å; F92-F162 HydrophobicContact CG-CE2 4.31Å; F92-F162 HydrophobicContact CZ-CB 4.37Å; Y116-F162 HydrophobicContact CE2-CD1 4.17Å; L159-F162 CarbonylContact O-C 3.42Å; L159-F162 WeakPolarHBondContact O-CB 3.47Å; L159-F162 PolarHBondContact O-N 2.62Å; L159-F162 VanDerWaalsContact O-N 3.1Å; L160-F162 PolarHBondContact O-N 2.76Å; F162-I164 VanDerWaalsContact C-N 3.34Å; F162-I164 PolarHBondContact O-N 3.1Å; F162-V165 PolarHBondContact O-N 3.48Å; F162-E166 HydrophobicContact CD1-CG 3.98Å; F162-E166 HydrophobicContact CE1-CG 3.53Å; F162-E166 HydrophobicContact CZ-CG 3.84Å; F162-E166 PolarHBondContact O-N 3.32Å |
| 163 | E | 89.9 | Confident | 79.5 | Confident | 20 Ų | 20 | 62 Ų | 62 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.2 | -46.9 | 174.3 | 179.7 | 172 | 132.8 | 0 | 0 | 112 | Y116 M120 G124 F125 Y155 L159 L160 S167 | Y116-E163 HydrophobicContact CE2-CB 4.07Å; M120-E163 HydrophobicContact CE-CG 4.45Å; M120-E163 VanDerWaalsContact SD-CD 3.55Å; M120-E163 HydrophobicContact SD-CG 3.66Å; G124-E163 VanDerWaalsContact CA-OE1 3.3Å; G124-E163 WeakPolarHBondContact CA-OE1 3.42Å; F125-E163 PolarHBondContact N-OE1 2.9Å; Y155-E163 WeakPolarHBondContact CE1-OE2 3.29Å; Y155-E163 PolarHBondContact OH-OE2 3.46Å; L159-E163 WeakPolarHBondContact O-CB 3.5Å; L159-E163 PolarHBondContact O-N 2.99Å; L160-E163 PolarHBondContact O-N 3.49Å; E163-S167 WeakPolarHBondContact O-CB 3.49Å; E163-S167 PolarHBondContact O-N 3.12Å |
| 164 | I | 81.4 | Confident | 77.9 | Confident | 80 Ų | 80 | 66.9 Ų | 66.9 | 41% | 0.41 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -53.3 | 178.7 | -68.7 | 163.7 | 0 | 0 | 0 | 110.3 | L160 F162 S167 E168 | L160-I164 HydrophobicContact CD1-CD1 4.01Å; L160-I164 HydrophobicContact CD1-CG1 4.09Å; L160-I164 HydrophobicContact CG-CD1 4.05Å; L160-I164 WeakPolarHBondContact O-CG1 3.4Å; L160-I164 PolarHBondContact O-N 2.89Å; F162-I164 VanDerWaalsContact C-N 3.34Å; F162-I164 PolarHBondContact O-N 3.1Å; I164-S167 WeakPolarHBondContact O-CB 3.4Å; I164-S167 PolarHBondContact O-N 3.2Å; I164-S167 VanDerWaalsContact O-N 3.13Å; I164-S167 PolarHBondContact O-OG 3.45Å; I164-E168 WeakPolarHBondContact O-CG 3.48Å; I164-E168 PolarHBondContact O-N 3.11Å |
| 165 | V | 79.6 | Confident | 75.9 | Confident | 35 Ų | 35 | 69.4 Ų | 69.4 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | -176.6 | 170.9 | 0 | 0 | 0 | 0 | 112.6 | F92 F162 S167 E168 K169 | F92-V165 HydrophobicContact CE2-CB 3.97Å; F92-V165 HydrophobicContact CE2-CG1 4.32Å; F92-V165 HydrophobicContact CE2-CG2 3.91Å; F162-V165 PolarHBondContact O-N 3.48Å; V165-S167 VanDerWaalsContact C-N 3.34Å; V165-E168 PolarHBondContact O-N 2.87Å; V165-K169 WeakPolarHBondContact O-CG 3.3Å; V165-K169 PolarHBondContact O-N 2.62Å |
| 166 | E | 77.9 | Confident | 73.1 | Confident | 35 Ų | 35 | 74.9 Ų | 74.9 | 16% | 0.164 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 171.8 | -75.4 | -58.2 | 115.2 | 0 | 0 | 111.8 | F162 E168 K169 A170 | F162-E166 HydrophobicContact CD1-CG 3.98Å; F162-E166 HydrophobicContact CE1-CG 3.53Å; F162-E166 HydrophobicContact CZ-CG 3.84Å; F162-E166 PolarHBondContact O-N 3.32Å; E166-E168 VanDerWaalsContact C-N 3.31Å; E166-E168 PolarHBondContact O-N 3.03Å; E166-K169 PolarHBondContact O-N 2.96Å; E166-K169 VanDerWaalsContact OE1-CD 3.29Å; E166-K169 WeakPolarHBondContact OE1-CD 3.26Å; E166-K169 WeakPolarHBondContact OE1-CE 3.31Å; E166-K169 IonicContact OE1-NZ 2.87Å; E166-K169 PolarHBondContact OE1-NZ 3.03Å; E166-A170 WeakPolarHBondContact O-CB 3.39Å; E166-A170 PolarHBondContact O-N 2.78Å |
| 167 | S | 78.6 | Confident | 70.2 | Confident | 38 Ų | 38 | 75.6 Ų | 75.6 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.9 | -33.6 | 174.9 | 91 | 0 | 0 | 0 | 0 | 112.6 | E163 I164 V165 K171 | E163-S167 WeakPolarHBondContact O-CB 3.49Å; E163-S167 PolarHBondContact O-N 3.12Å; I164-S167 WeakPolarHBondContact O-CB 3.4Å; I164-S167 PolarHBondContact O-N 3.2Å; I164-S167 VanDerWaalsContact O-N 3.13Å; I164-S167 PolarHBondContact O-OG 3.45Å; V165-S167 VanDerWaalsContact C-N 3.34Å; S167-K171 VanDerWaalsContact O-CD 3.3Å; S167-K171 WeakPolarHBondContact O-CD 3.35Å; S167-K171 VanDerWaalsContact O-CG 3.24Å; S167-K171 WeakPolarHBondContact O-CG 3.43Å; S167-K171 PolarHBondContact O-N 3.28Å; S167-K171 VanDerWaalsContact O-N 3.08Å; S167-K171 PolarHBondContact OG-NZ 3.31Å; S167-K171 VanDerWaalsContact OG-NZ 3.11Å |
| 168 | E | 75.7 | Confident | 67.7 | Low | 96 Ų | 96 | 76.2 Ų | 76.2 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.7 | -41.7 | 175.6 | -73.1 | 178.5 | -179.3 | 0 | 0 | 111.7 | I164 V165 E166 A170 K171 K172 | I164-E168 WeakPolarHBondContact O-CG 3.48Å; I164-E168 PolarHBondContact O-N 3.11Å; V165-E168 PolarHBondContact O-N 2.87Å; E166-E168 VanDerWaalsContact C-N 3.31Å; E166-E168 PolarHBondContact O-N 3.03Å; E168-A170 VanDerWaalsContact C-N 3.29Å; E168-A170 PolarHBondContact O-N 3.38Å; E168-K171 PolarHBondContact O-N 2.89Å; E168-K172 WeakPolarHBondContact O-CB 3.42Å; E168-K172 WeakPolarHBondContact O-CG 3.35Å; E168-K172 PolarHBondContact O-N 3.47Å |
| 169 | K | 73.3 | Confident | 65.3 | Low | 111 Ų | 111 | 83.1 Ų | 83.1 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 171.2 | -72.1 | 177.5 | -170.4 | 171 | 0 | 111.9 | V165 E166 K173 | V165-K169 WeakPolarHBondContact O-CG 3.3Å; V165-K169 PolarHBondContact O-N 2.62Å; E166-K169 PolarHBondContact O-N 2.96Å; E166-K169 VanDerWaalsContact OE1-CD 3.29Å; E166-K169 WeakPolarHBondContact OE1-CD 3.26Å; E166-K169 WeakPolarHBondContact OE1-CE 3.31Å; E166-K169 IonicContact OE1-NZ 2.87Å; E166-K169 PolarHBondContact OE1-NZ 3.03Å; K169-K173 PolarHBondContact O-N 2.95Å; K169-K173 VanDerWaalsContact O-N 3.13Å |
| 170 | A | 68.9 | Low | 62.4 | Low | 47 Ų | 47 | 88.7 Ų | 88.7 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -54.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E166 E168 K172 K173 E174 | E166-A170 WeakPolarHBondContact O-CB 3.39Å; E166-A170 PolarHBondContact O-N 2.78Å; E168-A170 VanDerWaalsContact C-N 3.29Å; E168-A170 PolarHBondContact O-N 3.38Å; A170-K172 VanDerWaalsContact C-N 3.29Å; A170-K172 PolarHBondContact O-N 3.45Å; A170-K173 WeakPolarHBondContact O-CA 3.33Å; A170-K173 PolarHBondContact O-N 2.85Å; A170-E174 PolarHBondContact O-N 3.19Å |
| 171 | K | 69.7 | Low | 59.6 | Low | 122 Ų | 122 | 96.1 Ų | 96.1 | 53% | 0.53 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.5 | -41.5 | 176.6 | -68.7 | 158.4 | -170 | 153.3 | 0 | 112.4 | S167 E168 K173 E174 S175 | S167-K171 VanDerWaalsContact O-CD 3.3Å; S167-K171 WeakPolarHBondContact O-CD 3.35Å; S167-K171 VanDerWaalsContact O-CG 3.24Å; S167-K171 WeakPolarHBondContact O-CG 3.43Å; S167-K171 PolarHBondContact O-N 3.28Å; S167-K171 VanDerWaalsContact O-N 3.08Å; S167-K171 PolarHBondContact OG-NZ 3.31Å; S167-K171 VanDerWaalsContact OG-NZ 3.11Å; E168-K171 PolarHBondContact O-N 2.89Å; K171-K173 VanDerWaalsContact C-N 3.28Å; K171-K173 PolarHBondContact O-N 2.77Å; K171-E174 PolarHBondContact O-N 3.37Å; K171-S175 WeakPolarHBondContact O-CB 3.33Å; K171-S175 PolarHBondContact O-N 2.68Å; K171-S175 PolarHBondContact O-OG 3.02Å |
| 172 | K | 62.3 | Low | 56.9 | Low | 146 Ų | 146 | 97.1 Ų | 97.1 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -22.3 | 176.7 | -75.9 | -176.3 | 177.8 | -176.6 | 0 | 114.1 | E168 A170 S175 | E168-K172 WeakPolarHBondContact O-CB 3.42Å; E168-K172 WeakPolarHBondContact O-CG 3.35Å; E168-K172 PolarHBondContact O-N 3.47Å; A170-K172 VanDerWaalsContact C-N 3.29Å; A170-K172 PolarHBondContact O-N 3.45Å; K172-S175 WeakPolarHBondContact CA-OG 3.4Å; K172-S175 PolarHBondContact O-OG 3.31Å |
| 173 | K | 51.8 | Low | 54.4 | Low | 167 Ų | 167 | 104.6 Ų | 104.6 | 73% | 0.726 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -84.9 | -30.8 | 170.8 | -77.6 | -164.4 | 170.5 | -162 | 0 | 112.7 | K169 A170 K171 S175 | K169-K173 PolarHBondContact O-N 2.95Å; K169-K173 VanDerWaalsContact O-N 3.13Å; A170-K173 WeakPolarHBondContact O-CA 3.33Å; A170-K173 PolarHBondContact O-N 2.85Å; K171-K173 VanDerWaalsContact C-N 3.28Å; K171-K173 PolarHBondContact O-N 2.77Å; K173-S175 VanDerWaalsContact C-N 3.34Å |
| 174 | E | 48.4 | Very low | 51.4 | Low | 160 Ų | 160 | 108.1 Ų | 108.1 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.6 | -22.8 | 173.4 | -67.4 | 172.5 | 155.1 | 0 | 0 | 112.6 | A170 K171 L176 | A170-E174 PolarHBondContact O-N 3.19Å; K171-E174 PolarHBondContact O-N 3.37Å; E174-L176 VanDerWaalsContact C-N 3.34Å |
| 175 | S | 41.6 | Very low | 48.9 | Very low | 90 Ų | 90 | 112.1 Ų | 112.1 | 63% | 0.629 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 5.3 | 174.2 | 70.9 | 0 | 0 | 0 | 0 | 114.6 | K171 K172 K173 | K171-S175 WeakPolarHBondContact O-CB 3.33Å; K171-S175 PolarHBondContact O-N 2.68Å; K171-S175 PolarHBondContact O-OG 3.02Å; K172-S175 WeakPolarHBondContact CA-OG 3.4Å; K172-S175 PolarHBondContact O-OG 3.31Å; K173-S175 VanDerWaalsContact C-N 3.34Å |
| 176 | L | 32.1 | Very low | 46.5 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 60% | 0.602 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -97.9 | 130.7 | 167.4 | -75.3 | 165.9 | 0 | 0 | 0 | 107.7 | E174 I178 | E174-L176 VanDerWaalsContact C-N 3.34Å; L176-I178 PolarHBondContact O-N 2.95Å |
| 177 | P | 30.5 | Very low | 44.2 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 66% | 0.656 | 64% | 0.639 | S | S | * | * | trans | -54.5 | 137.1 | 175.4 | -25.9 | 35.2 | 0 | 0 | 0 | 111.6 | D179 | P177-D179 PolarHBondContact O-N 3.38Š| ||
| 178 | I | 30.6 | Very low | 41.7 | Very low | 153 Ų | 153 | 125 Ų | 125 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | trans | -80.5 | 97.2 | 164.1 | -62.4 | 174.7 | 0 | 0 | 0 | 105.7 | L176 T180 | L176-I178 PolarHBondContact O-N 2.95Å; I178-T180 VanDerWaalsContact C-N 3.27Å; I178-T180 PolarHBondContact O-N 3.42Å | ||
| 179 | D | 33.2 | Very low | 39.4 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | trans | -67.1 | 84.8 | 178 | -72.6 | -28.1 | 0 | 0 | 0 | 111.1 | P177 E181 | P177-D179 PolarHBondContact O-N 3.38Å; D179-E181 PolarHBondContact O-N 2.87Å | ||
| 180 | T | 28.4 | Very low | 37 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | trans | -73.4 | 113.1 | 155.4 | 45.1 | 0 | 0 | 0 | 0 | 109 | I178 | I178-T180 VanDerWaalsContact C-N 3.27Å; I178-T180 PolarHBondContact O-N 3.42Å | ||
| 181 | E | 29.5 | Very low | 35.1 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 70 | 120.5 | 172.9 | -50.4 | -166.8 | 158.8 | 0 | 0 | 115.5 | D179 | D179-E181 PolarHBondContact O-N 2.87Š|
| 182 | A | 27.9 | Very low | 33.1 | Very low | 63 Ų | 63 | 137.7 Ų | 137.7 | 52% | 0.521 | 71% | 0.706 | S | S | . | * | trans | -84.2 | 129.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L693 | A182-L693 HydrophobicContact CB-CD1 3.87Å; A182-L693 HydrophobicContact CB-CD2 4.06Å | ||
| 183 | K | 31 | Very low | 31.4 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | trans | -163 | 110.4 | 144.9 | -113 | 165.7 | -173.8 | -176.7 | 0 | 114.4 | L693 | K183-L693 WeakPolarHBondContact CE-O 3.48Š| ||
| 184 | T | 26.5 | Very low | 30.2 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 58% | 0.583 | 72% | 0.72 | S | S | * | * | trans | 43.8 | 106.6 | 135.1 | 59.5 | 0 | 0 | 0 | 0 | 119.6 | L694 | T184-L694 HydrophobicContact CG2-CD2 3.67Š| ||
| 185 | E | 30.5 | Very low | 29.1 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | -152.3 | 122.4 | 109.6 | -121.6 | -172.2 | -127.1 | 0 | 0 | 109.8 | K187 | E185-K187 IonicContact OE2-NZ 3.9Å; E185-K187 PolarHBondContact OE2-NZ 3.23Å | |||
| 186 | D | 28.2 | Very low | 28.3 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -108.6 | 121.9 | 173.4 | -178.8 | 0.6 | 0 | 0 | 0 | 109.1 | G188 | D186-G188 PolarHBondContact OD1-N 2.88Š| ||
| 187 | K | 29.9 | Very low | 28.2 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | -136.1 | 60 | 167.6 | -74.8 | -178.3 | -176.7 | 128.5 | 0 | 110.4 | E185 | E185-K187 IonicContact OE2-NZ 3.9Å; E185-K187 PolarHBondContact OE2-NZ 3.23Å | ||
| 188 | G | 25 | Very low | 28.1 | Very low | 57 Ų | 57 | 139.5 Ų | 139.5 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | trans | 28.3 | 125.2 | 141 | 0 | 0 | 0 | 0 | 0 | 120.1 | D186 | D186-G188 PolarHBondContact OD1-N 2.88Š| ||
| 189 | K | 28.2 | Very low | 28 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 70% | 0.7 | 74% | 0.738 | S | S | * | * | trans | -155 | 98.8 | 140.7 | -122.6 | 172 | -178.2 | -74.7 | 0 | 110.3 | E191 | K189-E191 IonicContact NZ-OE1 2.75Å; K189-E191 PolarHBondContact NZ-OE1 2.84Å; K189-E191 IonicContact NZ-OE2 3.16Å; K189-E191 PolarHBondContact NZ-OE2 3.38Å | ||
| 190 | E | 23.6 | Very low | 27.5 | Very low | 202 Ų | 202 | 137.6 Ų | 137.6 | 94% | 0.944 | 74% | 0.743 | S | S | * | * | trans | -95.3 | 104 | 162.3 | -72.3 | -168.8 | 131.9 | 0 | 0 | 108.8 | ||||
| 191 | E | 28.1 | Very low | 27.5 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -140.8 | 133.1 | 166.8 | -72.7 | 164.1 | 176.7 | 0 | 0 | 105.2 | K189 | K189-E191 IonicContact NZ-OE1 2.75Å; K189-E191 PolarHBondContact NZ-OE1 2.84Å; K189-E191 IonicContact NZ-OE2 3.16Å; K189-E191 PolarHBondContact NZ-OE2 3.38Å | ||
| 192 | E | 27.8 | Very low | 27.4 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | cis | -159.9 | 143.1 | -6.8 | -122.5 | -176 | 160.2 | 0 | 0 | 108.1 | Q194 | E192-Q194 PolarHBondContact OE1-NE2 3.29Å; E192-Q194 VanDerWaalsContact OE1-NE2 3.16Å | ||
| 193 | L | 26.5 | Very low | 27.1 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 95% | 0.953 | 76% | 0.761 | S | S | * | * | trans | -151.2 | 54 | 153.6 | -143 | 92.5 | 0 | 0 | 0 | 112.1 | ||||
| 194 | Q | 27.4 | Very low | 27.2 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | -63.2 | 160.3 | 161.7 | -65.5 | -176.7 | 37.8 | 0 | 0 | 110.4 | E192 | E192-Q194 PolarHBondContact OE1-NE2 3.29Å; E192-Q194 VanDerWaalsContact OE1-NE2 3.16Å | ||
| 195 | S | 24.9 | Very low | 27.1 | Very low | 91 Ų | 91 | 146 Ų | 146 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -178.7 | 147 | -24.5 | 57.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 196 | V | 24.6 | Very low | 27 | Very low | 141 Ų | 141 | 142 Ų | 142 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -144.7 | 121.4 | 154 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 197 | V | 29.3 | Very low | 26.9 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 143.2 | 161.1 | -146.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 198 | P | 30.1 | Very low | 26.6 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | -141.1 | 175 | 97 | 31.8 | -13 | 0 | 0 | 0 | 112.4 | |||||
| 199 | G | 26.7 | Very low | 26.8 | Very low | 70 Ų | 70 | 144.6 Ų | 144.6 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | -158.8 | -157.5 | 9.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 200 | E | 24.6 | Very low | 26.6 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -99.9 | 157.9 | -160.5 | -53.8 | 159.3 | 121.2 | 0 | 0 | 113.5 | ||||
| 201 | E | 26.9 | Very low | 26.7 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | -160.5 | 174.1 | 133.4 | -118.4 | 173.2 | -147.4 | 0 | 0 | 113.1 | ||||
| 202 | H | 27 | Very low | 26.7 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | -83.4 | 164.9 | -149.7 | -98.2 | 52.8 | 0 | 0 | 0 | 118.6 | ||||
| 203 | C | 23.5 | Very low | 26.5 | Very low | 106 Ų | 106 | 141 Ų | 141 | 72% | 0.716 | 83% | 0.827 | S | S | * | * | trans | -80.7 | 167.9 | 163 | -155 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 204 | P | 32.1 | Very low | 26.6 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | -151.5 | -172.8 | 99.7 | 40.9 | -22.8 | 0 | 0 | 0 | 116 | |||||
| 205 | E | 24.5 | Very low | 26.4 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -85.4 | 171.9 | -168.9 | -58.7 | 152.2 | 132.1 | 0 | 0 | 115.3 | ||||
| 206 | G | 27.4 | Very low | 26.4 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -165.6 | 136 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 207 | E | 26 | Very low | 26.6 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -103.8 | 155.3 | -167.1 | -64.1 | -177 | 110.3 | 0 | 0 | 115.6 | ||||
| 208 | A | 24.3 | Very low | 26.3 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 84% | 0.837 | S | S | * | * | trans | 50.3 | 126.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 209 | T | 28.8 | Very low | 26.2 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 92% | 0.92 | 84% | 0.838 | S | S | * | * | -164.2 | 166 | 115.6 | 10.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 210 | E | 24.9 | Very low | 26.2 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | trans | -112.5 | -178.4 | -166.7 | -61.7 | -177.8 | 105.1 | 0 | 0 | 114.7 | ||||
| 211 | E | 25.1 | Very low | 26.2 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | trans | 77.4 | 138.5 | 163.9 | -55.4 | -160.2 | 143.2 | 0 | 0 | 120.1 | ||||
| 212 | G | 29 | Very low | 26.2 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | 147.8 | 65.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 213 | A | 23.3 | Very low | 26.2 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -87.3 | 138.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 214 | T | 28.7 | Very low | 26.3 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | trans | -150.6 | 157.6 | 157.1 | 14.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 215 | V | 23.6 | Very low | 26.2 | Very low | 154 Ų | 154 | 143 Ų | 143 | 93% | 0.933 | 83% | 0.83 | S | S | * | * | trans | -87 | 138.5 | -178.7 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 216 | G | 24.4 | Very low | 26.2 | Very low | 61 Ų | 61 | 142.9 Ų | 142.9 | 63% | 0.629 | 82% | 0.821 | S | S | * | * | trans | 173.7 | 110.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 217 | D | 28.5 | Very low | 26.2 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | 61 | 154.3 | 148.4 | -55 | -19.9 | 0 | 0 | 0 | 123.2 | ||||
| 218 | E | 23.8 | Very low | 26.2 | Very low | 166 Ų | 166 | 149 Ų | 149 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 140.9 | -173.8 | -56.1 | 177.6 | 119.4 | 0 | 0 | 113.2 | L220 | E218-L220 PolarHBondContact O-N 2.86Š| ||
| 219 | P | 27.8 | Very low | 26.5 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -79.9 | 86.5 | 170.3 | 32.3 | -33.5 | 0 | 0 | 0 | 111.6 | A221 | P219-A221 PolarHBondContact O-N 3.24Š| ||
| 220 | L | 26.4 | Very low | 26.5 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -60.8 | 102.1 | 173.9 | -81.3 | 169.1 | 0 | 0 | 0 | 112.4 | E218 E222 | E218-L220 PolarHBondContact O-N 2.86Å; L220-E222 VanDerWaalsContact C-N 3.3Å; L220-E222 PolarHBondContact O-N 3.02Å | ||
| 221 | A | 25.7 | Very low | 26.6 | Very low | 89 Ų | 89 | 151.2 Ų | 151.2 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -82.3 | 56.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | P219 | P219-A221 PolarHBondContact O-N 3.24Š| ||
| 222 | E | 26.9 | Very low | 26.9 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -142.2 | 28.3 | -179.1 | -148.4 | 169.2 | -134.4 | 0 | 0 | 116.2 | L220 | L220-E222 VanDerWaalsContact C-N 3.3Å; L220-E222 PolarHBondContact O-N 3.02Å | ||
| 223 | E | 25.5 | Very low | 26.9 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 58% | 0.575 | 81% | 0.811 | S | S | * | * | trans | -104.5 | 20.7 | -176.9 | -144.3 | -152.6 | 126.2 | 0 | 0 | 116.8 | K227 | E223-K227 WeakPolarHBondContact OE1-CE 3.5Å; E223-K227 IonicContact OE1-NZ 2.7Å; E223-K227 PolarHBondContact OE1-NZ 3.11Å | ||
| 224 | H | 27.1 | Very low | 27.1 | Very low | 192 Ų | 192 | 153.7 Ų | 153.7 | 89% | 0.889 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -103.4 | 24.1 | -174.1 | -84.6 | 93.3 | 0 | 0 | 0 | 116.6 | ||
| 225 | L | 28.2 | Very low | 27.3 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -152.4 | 20.4 | 172.4 | -117.8 | 159.1 | 0 | 0 | 0 | 116.7 | ||
| 226 | R | 24.5 | Very low | 27.4 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -139.8 | 85.3 | -178.8 | -73.9 | -176.5 | 170.2 | 170.9 | -3.2 | 114.7 | ||||
| 227 | K | 28.6 | Very low | 27.6 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -132.2 | 100.4 | 161.7 | -70.5 | -172.5 | 173.9 | 163.4 | 0 | 111.8 | E223 | E223-K227 WeakPolarHBondContact OE1-CE 3.5Å; E223-K227 IonicContact OE1-NZ 2.7Å; E223-K227 PolarHBondContact OE1-NZ 3.11Å | ||
| 228 | R | 26 | Very low | 27.8 | Very low | 230 Ų | 230 | 154.6 Ų | 154.6 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 150 | 164.5 | -79 | 179.6 | 169.1 | 168.1 | -2.4 | 109.5 | ||
| 229 | P | 29.3 | Very low | 27.9 | Very low | 125 Ų | 125 | 155.7 Ų | 155.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62 | 144.7 | 165.9 | 28.6 | -34.2 | 0 | 0 | 0 | 110.3 | ||
| 230 | A | 30.3 | Very low | 27.8 | Very low | 102 Ų | 102 | 155.9 Ų | 155.9 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 135.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A232 | A230-A232 PolarHBondContact O-N 3.44Š|
| 231 | R | 27.1 | Very low | 28 | Very low | 244 Ų | 244 | 157.1 Ų | 157.1 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -78.8 | 101.5 | 174.1 | -173.5 | -176.3 | -165.7 | 171.1 | 4.4 | 108.5 | E233 | R231-E233 PolarHBondContact O-N 3.3Š| ||
| 232 | A | 30.9 | Very low | 28 | Very low | 89 Ų | 89 | 161.8 Ų | 161.8 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -60 | 132.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A230 | A230-A232 PolarHBondContact O-N 3.44Š| ||
| 233 | E | 28.7 | Very low | 28.2 | Very low | 182 Ų | 182 | 158.8 Ų | 158.8 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -73.4 | 134 | -179.6 | -62.9 | -173.6 | 121.5 | 0 | 0 | 111.5 | R231 V235 | R231-E233 PolarHBondContact O-N 3.3Å; E233-V235 PolarHBondContact O-N 2.88Å | ||
| 234 | I | 27.1 | Very low | 28.3 | Very low | 160 Ų | 160 | 158.6 Ų | 158.6 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | -93.8 | 89.7 | 175.1 | -59.8 | 176.7 | 0 | 0 | 0 | 108.4 | ||||
| 235 | V | 32.6 | Very low | 28.5 | Very low | 129 Ų | 129 | 159.2 Ų | 159.2 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -72.3 | 134.5 | 167.7 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | E233 | E233-V235 PolarHBondContact O-N 2.88Š| ||
| 236 | T | 27.4 | Very low | 28.5 | Very low | 132 Ų | 132 | 158.9 Ų | 158.9 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -82.1 | 123.3 | -168.3 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 237 | G | 28 | Very low | 28.8 | Very low | 68 Ų | 68 | 153.3 Ų | 153.3 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | 109.3 | 117.6 | 129.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 238 | K | 32.1 | Very low | 28.7 | Very low | 220 Ų | 220 | 149.7 Ų | 149.7 | 96% | 0.957 | 80% | 0.8 | S | S | * | * | -163.3 | 168.5 | 121.2 | -105.3 | 163.1 | -173.1 | 175 | 0 | 111.1 | |||||
| 239 | K | 26.2 | Very low | 28.9 | Very low | 189 Ų | 189 | 149 Ų | 149 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -123.7 | 134.2 | -162.4 | -92.8 | -179 | 173.2 | 177 | 0 | 113.9 | ||||
| 240 | I | 24.6 | Very low | 28.7 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 67% | 0.672 | 81% | 0.808 | S | S | * | * | trans | 61 | 116.9 | 137.2 | -49.2 | 163.5 | 0 | 0 | 0 | 119.6 | ||||
| 241 | Q | 31.2 | Very low | 28.9 | Very low | 178 Ų | 178 | 159.1 Ų | 159.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | -176.3 | 124.1 | 119.3 | -95.8 | 167.5 | 88.5 | 0 | 0 | 108.2 | |||||
| 242 | K | 25.3 | Very low | 29 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | 56.9 | 132.5 | 88.2 | -70.1 | -166.2 | 175.3 | -173.4 | 0 | 112.9 | |||||
| 243 | T | 30.9 | Very low | 28.9 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | cis | -151.4 | 153.6 | 36.7 | 52.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 244 | D | 29.2 | Very low | 29.1 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | trans | 53.9 | 121 | 136.4 | -78 | 43.4 | 0 | 0 | 0 | 126.1 | ||||
| 245 | R | 30.2 | Very low | 29.3 | Very low | 204 Ų | 204 | 161.6 Ų | 161.6 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | 116 | 116.9 | 117.1 | -82.9 | 167.9 | -161.9 | -136.2 | -1.2 | 122.2 | |||||
| 246 | I | 28.4 | Very low | 29.4 | Very low | 160 Ų | 160 | 166.1 Ų | 166.1 | 82% | 0.821 | 83% | 0.828 | S | S | * | * | trans | 68.6 | 126.4 | 135.2 | -57.9 | 163.5 | 0 | 0 | 0 | 119 | ||||
| 247 | G | 30.5 | Very low | 29.8 | Very low | 77 Ų | 77 | 169.6 Ų | 169.6 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | 147.2 | 108.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 248 | A | 26.6 | Very low | 30 | Very low | 97 Ų | 97 | 172.9 Ų | 172.9 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | trans | -112.9 | 132.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 249 | K | 30.9 | Very low | 30.5 | Very low | 216 Ų | 216 | 167.3 Ų | 167.3 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | trans | -173.2 | 159.1 | 137.9 | -105.7 | 161.4 | -175 | 177.8 | 0 | 112.3 | ||||
| 250 | M | 25.3 | Very low | 31.6 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -82.4 | 132.6 | -175.3 | -61.4 | -177.2 | -70.5 | 0 | 0 | 112.9 | ||||
| 251 | R | 33.8 | Very low | 32.9 | Very low | 254 Ų | 254 | 163.1 Ų | 163.1 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -161.3 | 136.7 | 131 | -107.5 | 171.7 | -174.4 | -118.5 | -0 | 108.4 | ||||
| 252 | G | 28.6 | Very low | 34.2 | Very low | 81 Ų | 81 | 161.6 Ų | 161.6 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -106.3 | 115 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 253 | E | 30.2 | Very low | 36.1 | Very low | 190 Ų | 190 | 157.9 Ų | 157.9 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -147.6 | 101.2 | 164.1 | -104.6 | 172.4 | 160.8 | 0 | 0 | 108.2 | R255 | E253-R255 PolarHBondContact O-N 3.45Å; E253-R255 VanDerWaalsContact O-N 3.13Å | ||
| 254 | K | 32.6 | Very low | 37.9 | Very low | 217 Ų | 217 | 154.6 Ų | 154.6 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | trans | -76.7 | 98.3 | 173.4 | -82.4 | -175.7 | 175.4 | 177.4 | 0 | 108.6 | R256 | K254-R256 PolarHBondContact O-N 3.45Š| ||
| 255 | R | 31.9 | Very low | 40.4 | Very low | 240 Ų | 240 | 152.4 Ų | 152.4 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 127.9 | 168.2 | -77.6 | -178.2 | 164.9 | -165.8 | -6.8 | 110.2 | E253 | E253-R255 PolarHBondContact O-N 3.45Å; E253-R255 VanDerWaalsContact O-N 3.13Å |
| 256 | R | 32.8 | Very low | 43.1 | Very low | 224 Ų | 224 | 142.8 Ų | 142.8 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 142.4 | 159.1 | -74 | 178.8 | 170.7 | 179 | -5.5 | 107.8 | K254 T258 | K254-R256 PolarHBondContact O-N 3.45Å; R256-T258 PolarHBondContact O-N 2.9Å |
| 257 | K | 35.8 | Very low | 45.6 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 127.9 | 165.5 | -76.3 | -173.9 | 175.8 | -175.4 | 0 | 107.7 | V259 | K257-V259 PolarHBondContact O-N 3.08Š|
| 258 | T | 33.9 | Very low | 48 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | trans | -70.6 | 115 | 165.3 | 45.3 | 0 | 0 | 0 | 0 | 108.2 | R256 | R256-T258 PolarHBondContact O-N 2.9Š| ||
| 259 | V | 41.6 | Very low | 50.8 | Low | 104 Ų | 104 | 137.1 Ų | 137.1 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | trans | -67.5 | 147.6 | 159.6 | -172.9 | 0 | 0 | 0 | 0 | 106.9 | K257 D263 | K257-V259 PolarHBondContact O-N 3.08Å; V259-D263 HydrophobicContact CG1-CB 4.18Å | ||
| 260 | Q | 50.5 | Low | 53.1 | Low | 132 Ų | 132 | 129.2 Ų | 129.2 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | trans | -74 | 140.8 | 171.4 | -63 | -166.2 | -109.7 | 0 | 0 | 108.4 | D262 D263 | Q260-D262 PolarHBondContact O-N 3.31Å; Q260-D263 PolarHBondContact O-N 3.12Å | ||
| 261 | V | 51.6 | Low | 55.6 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 61% | 0.606 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -62.6 | -36.6 | -173.9 | -177 | 0 | 0 | 0 | 0 | 110.3 | D263 I264 | V261-D263 PolarHBondContact O-N 3.48Å; V261-D263 VanDerWaalsContact O-N 3.12Å; V261-I264 WeakPolarHBondContact O-CB 3.49Å; V261-I264 VanDerWaalsContact O-CG1 3.28Å; V261-I264 WeakPolarHBondContact O-CG1 3.48Å; V261-I264 PolarHBondContact O-N 3.45Å; V261-I264 VanDerWaalsContact O-N 3.1Å |
| 262 | D | 57.6 | Low | 57.4 | Low | 146 Ų | 146 | 110.8 Ų | 110.8 | 78% | 0.781 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -61.2 | -16.8 | 179.5 | -34.4 | -8.5 | 0 | 0 | 0 | 114.1 | Q260 | Q260-D262 PolarHBondContact O-N 3.31Š|
| 263 | D | 65.2 | Low | 59.4 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -85.6 | -5.5 | 177.1 | -68.6 | -45.5 | 0 | 0 | 0 | 113.2 | V259 Q260 V261 V265 | V259-D263 HydrophobicContact CG1-CB 4.18Å; Q260-D263 PolarHBondContact O-N 3.12Å; V261-D263 PolarHBondContact O-N 3.48Å; V261-D263 VanDerWaalsContact O-N 3.12Å; D263-V265 PolarHBondContact O-N 2.9Å |
| 264 | I | 68.4 | Low | 61.6 | Low | 51 Ų | 51 | 104.2 Ų | 104.2 | 26% | 0.262 | 55% | 0.551 | S | S | . | * | trans | -87.8 | 97.3 | -169.6 | -57.2 | 177.2 | 0 | 0 | 0 | 110.7 | V261 L278 L280 A287 | V261-I264 WeakPolarHBondContact O-CB 3.49Å; V261-I264 VanDerWaalsContact O-CG1 3.28Å; V261-I264 WeakPolarHBondContact O-CG1 3.48Å; V261-I264 PolarHBondContact O-N 3.45Å; V261-I264 VanDerWaalsContact O-N 3.1Å; I264-L278 HydrophobicContact CG2-CD2 3.84Å; I264-L278 WeakPolarHBondContact O-CD2 3.37Å; I264-L280 HydrophobicContact CD1-CD2 4.3Å; I264-L280 HydrophobicContact CG2-CD2 3.66Å; I264-A287 HydrophobicContact CG2-CB 3.58Å | ||
| 265 | V | 82.9 | Confident | 63.6 | Low | 73 Ų | 73 | 101 Ų | 101 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | trans | -101.7 | 149.3 | 176 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | D263 S267 G270 | D263-V265 PolarHBondContact O-N 2.9Å; V265-S267 PolarHBondContact O-N 3Å; V265-G270 WeakPolarHBondContact CB-O 3.38Å | ||
| 266 | C | 86.1 | Confident | 65.8 | Low | 1 Ų | 1 | 94.4 Ų | 94.4 | 1% | 0.007 | 52% | 0.522 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 127.8 | 172.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | V268 C269 G270 G271 L278 A287 H289 | C266-V268 PolarHBondContact O-N 2.93Å; C266-V268 PolarHBondContact SG-N 2.81Å; C266-C269 VanDerWaalsContact CB-SG 3.57Å; C266-G270 VanDerWaalsContact O-CA 3.29Å; C266-G270 WeakPolarHBondContact O-CA 3.47Å; C266-G270 PolarHBondContact O-N 2.92Å; C266-G271 WeakPolarHBondContact CB-O 3.31Å; C266-G271 PolarHBondContact N-O 3.35Å; C266-L278 HydrophobicContact CB-CD1 3.84Å; C266-A287 CarbonylContact C-O 3.57Å; C266-A287 WeakPolarHBondContact CA-O 3.24Å; C266-H289 VanDerWaalsContact CB-CE1 3.49Å; C266-H289 WeakPolarHBondContact CB-CE1 3.43Å; C266-H289 VanDerWaalsContact CB-ND1 3.3Å; C266-H289 WeakPolarHBondContact CB-ND1 3.21Å |
| 267 | S | 80.7 | Confident | 68.2 | Low | 54 Ų | 54 | 88.4 Ų | 88.4 | 38% | 0.378 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 13.8 | -177.3 | -56.4 | 0 | 0 | 0 | 0 | 114.7 | V265 Y286 A287 | V265-S267 PolarHBondContact O-N 3Å; S267-Y286 WeakPolarHBondContact OG-CB 3.42Å; S267-Y286 WeakPolarHBondContact OG-CD1 3.34Å; S267-A287 PolarHBondContact N-O 3.37Å; S267-A287 PolarHBondContact OG-O 3.18Å |
| 268 | V | 80.7 | Confident | 70.5 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -52.2 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | C266 Y288 C292 | C266-V268 PolarHBondContact O-N 2.93Å; C266-V268 PolarHBondContact SG-N 2.81Å; V268-Y288 HydrophobicContact CG2-CD1 3.68Å; V268-Y288 HydrophobicContact CG2-CE1 3.79Å; V268-C292 HydrophobicContact CB-CB 4.05Å; V268-C292 HydrophobicContact CG1-CB 4.2Å; V268-C292 HydrophobicContact CG2-CB 4.5Å |
| 269 | C | 85.7 | Confident | 72.7 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 48% | 0.48 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -15.8 | -179.8 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | C266 G271 H289 | C266-C269 VanDerWaalsContact CB-SG 3.57Å; C269-G271 PolarHBondContact O-N 2.96Å; C269-G271 PolarHBondContact SG-N 3.23Å; C269-G271 VanDerWaalsContact SG-N 3.41Å; C269-H289 PolarHBondContact SG-ND1 3.48Å; C269-H289 VanDerWaalsContact SG-ND1 3.45Å |
| 270 | G | 78.9 | Confident | 74.5 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | trans | 77.1 | -2.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V265 C266 | V265-G270 WeakPolarHBondContact CB-O 3.38Å; C266-G270 VanDerWaalsContact O-CA 3.29Å; C266-G270 WeakPolarHBondContact O-CA 3.47Å; C266-G270 PolarHBondContact O-N 2.92Å | ||
| 271 | G | 78.1 | Confident | 75.8 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | trans | -80.9 | 143.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C266 C269 | C266-G271 WeakPolarHBondContact CB-O 3.31Å; C266-G271 PolarHBondContact N-O 3.35Å; C269-G271 PolarHBondContact O-N 2.96Å; C269-G271 PolarHBondContact SG-N 3.23Å; C269-G271 VanDerWaalsContact SG-N 3.41Å | ||
| 272 | G | 71.1 | Confident | 77 | Confident | 34 Ų | 34 | 69.7 Ų | 69.7 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | trans | -106.1 | 6.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 273 | D | 70.1 | Confident | 76.9 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | trans | -67.7 | 173.9 | 171.2 | 63.1 | -66.9 | 0 | 0 | 0 | 111.5 | E275 H289 | D273-E275 VanDerWaalsContact C-N 3.32Å; D273-E275 PolarHBondContact O-N 3.27Å; D273-H289 PolarHBondContact O-NE2 2.96Å | ||
| 274 | C | 76.7 | Confident | 77.2 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | trans | 51.2 | 46 | 180 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | D276 R277 L278 F291 | C274-D276 VanDerWaalsContact CA-OD1 3.26Å; C274-D276 WeakPolarHBondContact CA-OD1 3.18Å; C274-D276 PolarHBondContact O-N 3.42Å; C274-D276 VanDerWaalsContact O-N 3.12Å; C274-R277 CarbonylContact O-C 3.54Å; C274-R277 PolarHBondContact O-N 3.01Å; C274-R277 PolarHBondContact SG-NH2 3.46Å; C274-R277 VanDerWaalsContact SG-NH2 3.42Å; C274-L278 PolarHBondContact O-N 2.79Å; C274-F291 HydrophobicContact CB-CE1 4.11Å; C274-F291 HydrophobicContact CB-CZ 4.11Å | ||
| 275 | E | 75.4 | Confident | 77.2 | Confident | 150 Ų | 150 | 65.4 Ų | 65.4 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -49.3 | -35.5 | 175.6 | -64.9 | 174.7 | -145 | 0 | 0 | 112.5 | D273 R277 L278 | D273-E275 VanDerWaalsContact C-N 3.32Å; D273-E275 PolarHBondContact O-N 3.27Å; E275-R277 PolarHBondContact O-N 3.16Å; E275-R277 VanDerWaalsContact O-N 3.1Å; E275-L278 PolarHBondContact O-N 2.7Å |
| 276 | D | 78.4 | Confident | 77.1 | Confident | 102 Ų | 102 | 66.5 Ų | 66.5 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -57.7 | -20.3 | 176.2 | 69.5 | -57.5 | 0 | 0 | 0 | 114 | C274 I300 | C274-D276 VanDerWaalsContact CA-OD1 3.26Å; C274-D276 WeakPolarHBondContact CA-OD1 3.18Å; C274-D276 PolarHBondContact O-N 3.42Å; C274-D276 VanDerWaalsContact O-N 3.12Å; D276-I300 WeakPolarHBondContact O-CD1 3.29Å |
| 277 | R | 82.1 | Confident | 76.9 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -126.7 | 16.7 | -178.9 | -75.6 | 172.1 | -69.8 | 148.5 | 10.9 | 112.5 | C274 E275 H289 T290 F291 | C274-R277 CarbonylContact O-C 3.54Å; C274-R277 PolarHBondContact O-N 3.01Å; C274-R277 PolarHBondContact SG-NH2 3.46Å; C274-R277 VanDerWaalsContact SG-NH2 3.42Å; E275-R277 PolarHBondContact O-N 3.16Å; E275-R277 VanDerWaalsContact O-N 3.1Å; R277-H289 CarbonylContact O-C 3.51Å; R277-H289 VanDerWaalsContact O-CA 3.26Å; R277-H289 WeakPolarHBondContact O-CA 3.39Å; R277-T290 HydrophobicContact CB-CG2 4.35Å; R277-T290 PolarHBondContact O-N 2.98Å; R277-F291 HydrophobicContact CB-CE1 4.26Å |
| 278 | L | 84.9 | Confident | 77.1 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 106.6 | -179.7 | -171.2 | 71.6 | 0 | 0 | 0 | 111.4 | I264 C266 C274 E275 A287 | I264-L278 HydrophobicContact CG2-CD2 3.84Å; I264-L278 WeakPolarHBondContact O-CD2 3.37Å; C266-L278 HydrophobicContact CB-CD1 3.84Å; C274-L278 PolarHBondContact O-N 2.79Å; E275-L278 PolarHBondContact O-N 2.7Å; L278-A287 HydrophobicContact CD1-CB 4.01Å; L278-A287 HydrophobicContact CD2-CB 4.28Å; L278-A287 HydrophobicContact CG-CB 4.04Å |
| 279 | L | 79.5 | Confident | 77.5 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.5 | -178.5 | -54.6 | -174.3 | 0 | 0 | 0 | 112.1 | A287 Y288 T290 L293 L297 I300 P301 W305 | L279-A287 CarbonylContact O-C 3.56Å; L279-A287 VanDerWaalsContact O-CA 3.24Å; L279-A287 WeakPolarHBondContact O-CA 3.35Å; L279-Y288 WeakPolarHBondContact CB-O 3.47Å; L279-Y288 PolarHBondContact N-O 3.08Å; L279-Y288 PolarHBondContact O-N 2.88Å; L279-T290 HydrophobicContact CD1-CG2 4.09Å; L279-T290 HydrophobicContact CD2-CG2 4.06Å; L279-T290 HydrophobicContact CG-CG2 3.98Å; L279-L293 HydrophobicContact CD1-CD1 4.1Å; L279-L297 HydrophobicContact CD1-CD1 4.07Å; L279-I300 HydrophobicContact CD2-CB 4.38Å; L279-I300 HydrophobicContact CD2-CG1 4.21Å; L279-I300 HydrophobicContact CD2-CG2 3.91Å; L279-P301 HydrophobicContact CD1-CG 4.14Å; L279-W305 HydrophobicContact CB-CD2 4.04Å; L279-W305 HydrophobicContact CB-CE3 3.73Å; L279-W305 HydrophobicContact CB-CH2 4.03Å; L279-W305 HydrophobicContact CB-CZ2 4.33Å; L279-W305 HydrophobicContact CB-CZ3 3.72Å; L279-W305 HydrophobicContact CD1-CD2 3.97Å; L279-W305 HydrophobicContact CD1-CE3 4.49Å; L279-W305 HydrophobicContact CD1-CG 4.35Å; L279-W305 HydrophobicContact CD1-CH2 4.42Å; L279-W305 HydrophobicContact CD1-CZ2 3.91Å |
| 280 | L | 80.6 | Confident | 77.3 | Confident | 104 Ų | 104 | 57.7 Ų | 57.7 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.1 | 173.4 | -59.7 | -180 | 0 | 0 | 0 | 110.9 | I264 A287 | I264-L280 HydrophobicContact CD1-CD2 4.3Å; I264-L280 HydrophobicContact CG2-CD2 3.66Å; L280-A287 HydrophobicContact CD2-CB 3.88Å |
| 281 | C | 78.2 | Confident | 77.6 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 8% | 0.081 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 127 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | A283 C284 Y286 W305 C307 | C281-A283 VanDerWaalsContact C-N 3.27Å; C281-A283 PolarHBondContact O-N 3.23Å; C281-C284 PolarHBondContact O-N 2.92Å; C281-Y286 WeakPolarHBondContact CB-O 3.38Å; C281-Y286 PolarHBondContact N-O 2.85Å; C281-W305 HydrophobicContact CB-CE3 4.3Å; C281-W305 HydrophobicContact CB-CZ3 4Å; C281-C307 HydrophobicContact CB-CB 4.01Å; C281-C307 PolarHBondContact SG-N 2.97Å |
| 282 | E | 76.4 | Confident | 77.7 | Confident | 126 Ų | 126 | 59.8 Ų | 59.8 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20.1 | -179.7 | -77.2 | -77.7 | -177.1 | 0 | 0 | 114 | V304 W305 F306 | E282-V304 HydrophobicContact CB-CG1 4.14Å; E282-V304 HydrophobicContact CG-CG1 3.99Å; E282-W305 PolarHBondContact N-O 3.41Å; E282-W305 VanDerWaalsContact N-O 3.1Å; E282-F306 HydrophobicContact CB-CD1 4.3Å; E282-F306 HydrophobicContact CB-CE1 3.86Å; E282-F306 HydrophobicContact CB-CZ 4.44Å |
| 283 | A | 55.2 | Low | 77.8 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -10.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C281 F306 C310 | C281-A283 VanDerWaalsContact C-N 3.27Å; C281-A283 PolarHBondContact O-N 3.23Å; A283-F306 HydrophobicContact CB-CD1 3.65Å; A283-F306 HydrophobicContact CB-CE1 3.86Å; A283-C310 HydrophobicContact CB-CB 4.03Å |
| 284 | C | 70.8 | Confident | 77.3 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -159 | 157 | -176.3 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | C281 Y286 C310 | C281-C284 PolarHBondContact O-N 2.92Å; C284-Y286 HydrophobicContact CB-CD2 4.22Å; C284-Y286 PolarHBondContact O-N 2.84Å; C284-Y286 VanDerWaalsContact SG-CD2 3.55Å; C284-C310 PolarHBondContact SG-SG 3.06Å |
| 285 | P | 69.6 | Low | 76.3 | Confident | 130 Ų | 130 | 63.8 Ų | 63.8 | 84% | 0.844 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -76.2 | 19.4 | -174.1 | 34.3 | -38.6 | 0 | 0 | 0 | 114.7 | ||
| 286 | Y | 79.2 | Confident | 76.3 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 38% | 0.376 | 34% | 0.336 | S | S | . | . | trans | -97.7 | 132.1 | -176.9 | -63.2 | -56.8 | 0 | 0 | 0 | 111.7 | S267 C281 C284 R309 | S267-Y286 WeakPolarHBondContact OG-CB 3.42Å; S267-Y286 WeakPolarHBondContact OG-CD1 3.34Å; C281-Y286 WeakPolarHBondContact CB-O 3.38Å; C281-Y286 PolarHBondContact N-O 2.85Å; C284-Y286 HydrophobicContact CB-CD2 4.22Å; C284-Y286 PolarHBondContact O-N 2.84Å; C284-Y286 VanDerWaalsContact SG-CD2 3.55Å; Y286-R309 VanDerWaalsContact CE2-NH1 3.3Å | ||
| 287 | A | 83.3 | Confident | 76.1 | Confident | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 153.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I264 C266 S267 L278 L279 L280 | I264-A287 HydrophobicContact CG2-CB 3.58Å; C266-A287 CarbonylContact C-O 3.57Å; C266-A287 WeakPolarHBondContact CA-O 3.24Å; S267-A287 PolarHBondContact N-O 3.37Å; S267-A287 PolarHBondContact OG-O 3.18Å; L278-A287 HydrophobicContact CD1-CB 4.01Å; L278-A287 HydrophobicContact CD2-CB 4.28Å; L278-A287 HydrophobicContact CG-CB 4.04Å; L279-A287 CarbonylContact O-C 3.56Å; L279-A287 VanDerWaalsContact O-CA 3.24Å; L279-A287 WeakPolarHBondContact O-CA 3.35Å; L280-A287 HydrophobicContact CD2-CB 3.88Å |
| 288 | Y | 84.2 | Confident | 75.8 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 129.5 | -176.9 | -64 | -99.5 | 0 | 0 | 0 | 110.9 | V268 L279 L293 W305 C307 | V268-Y288 HydrophobicContact CG2-CD1 3.68Å; V268-Y288 HydrophobicContact CG2-CE1 3.79Å; L279-Y288 WeakPolarHBondContact CB-O 3.47Å; L279-Y288 PolarHBondContact N-O 3.08Å; L279-Y288 PolarHBondContact O-N 2.88Å; Y288-L293 HydrophobicContact CD1-CD2 4Å; Y288-L293 HydrophobicContact CG-CD2 4.06Å; Y288-W305 AromaticContact CD2-CH2 3.68Å; Y288-W305 HydrophobicContact CD2-CH2 3.68Å; Y288-W305 HydrophobicContact CD2-CZ3 4.04Å; Y288-W305 AromaticContact CG-CH2 3.99Å; Y288-W305 HydrophobicContact CG-CH2 3.99Å; Y288-C307 HydrophobicContact CD2-CB 3.64Å; Y288-C307 HydrophobicContact CE2-CB 3.25Å |
| 289 | H | 88.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 144.4 | 167.4 | -62.3 | 115.3 | 0 | 0 | 0 | 110.8 | C266 C269 D273 R277 F291 C292 L293 | C266-H289 VanDerWaalsContact CB-CE1 3.49Å; C266-H289 WeakPolarHBondContact CB-CE1 3.43Å; C266-H289 VanDerWaalsContact CB-ND1 3.3Å; C266-H289 WeakPolarHBondContact CB-ND1 3.21Å; C269-H289 PolarHBondContact SG-ND1 3.48Å; C269-H289 VanDerWaalsContact SG-ND1 3.45Å; D273-H289 PolarHBondContact O-NE2 2.96Å; R277-H289 CarbonylContact O-C 3.51Å; R277-H289 VanDerWaalsContact O-CA 3.26Å; R277-H289 WeakPolarHBondContact O-CA 3.39Å; H289-F291 HydrophobicContact CB-CD1 3.98Å; H289-F291 HydrophobicContact CB-CD2 3.93Å; H289-F291 HydrophobicContact CB-CE1 3.7Å; H289-F291 HydrophobicContact CB-CE2 3.63Å; H289-F291 HydrophobicContact CB-CG 4.1Å; H289-F291 HydrophobicContact CB-CZ 3.51Å; H289-F291 AromaticContact CD2-CZ 3.67Å; H289-F291 AromaticContact CG-CE1 3.94Å; H289-F291 AromaticContact CG-CE2 3.75Å; H289-F291 AromaticContact CG-CZ 3.41Å; H289-F291 VanDerWaalsContact CG-CZ 3.41Å; H289-F291 AromaticContact ND1-CE2 3.89Å; H289-F291 AromaticContact ND1-CZ 3.85Å; H289-F291 PolarHBondContact O-N 3.36Å; H289-C292 HydrophobicContact CB-CB 3.96Å; H289-C292 PolarHBondContact O-N 2.78Å; H289-L293 PolarHBondContact O-N 2.91Å |
| 290 | T | 82.3 | Confident | 75.1 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -50.8 | -40.9 | 173.7 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | R277 L279 L297 | R277-T290 HydrophobicContact CB-CG2 4.35Å; R277-T290 PolarHBondContact O-N 2.98Å; L279-T290 HydrophobicContact CD1-CG2 4.09Å; L279-T290 HydrophobicContact CD2-CG2 4.06Å; L279-T290 HydrophobicContact CG-CG2 3.98Å; T290-L297 WeakPolarHBondContact CB-O 3.34Å; T290-L297 HydrophobicContact CG2-CB 4.48Å; T290-L297 PolarHBondContact O-N 3.36Å; T290-L297 PolarHBondContact OG1-O 2.95Å |
| 291 | F | 84.7 | Confident | 74.5 | Confident | 83 Ų | 83 | 65 Ų | 65 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -81.4 | -13.3 | 179.4 | 55.4 | -97.7 | 0 | 0 | 0 | 115.2 | C274 R277 H289 | C274-F291 HydrophobicContact CB-CE1 4.11Å; C274-F291 HydrophobicContact CB-CZ 4.11Å; R277-F291 HydrophobicContact CB-CE1 4.26Å; H289-F291 HydrophobicContact CB-CD1 3.98Å; H289-F291 HydrophobicContact CB-CD2 3.93Å; H289-F291 HydrophobicContact CB-CE1 3.7Å; H289-F291 HydrophobicContact CB-CE2 3.63Å; H289-F291 HydrophobicContact CB-CG 4.1Å; H289-F291 HydrophobicContact CB-CZ 3.51Å; H289-F291 AromaticContact CD2-CZ 3.67Å; H289-F291 AromaticContact CG-CE1 3.94Å; H289-F291 AromaticContact CG-CE2 3.75Å; H289-F291 AromaticContact CG-CZ 3.41Å; H289-F291 VanDerWaalsContact CG-CZ 3.41Å; H289-F291 AromaticContact ND1-CE2 3.89Å; H289-F291 AromaticContact ND1-CZ 3.85Å; H289-F291 PolarHBondContact O-N 3.36Å |
| 292 | C | 80.8 | Confident | 73.5 | Confident | 28 Ų | 28 | 76.2 Ų | 76.2 | 19% | 0.189 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -92.4 | 4 | 173.6 | -70.5 | 0 | 0 | 0 | 0 | 113.3 | V268 H289 | V268-C292 HydrophobicContact CB-CB 4.05Å; V268-C292 HydrophobicContact CG1-CB 4.2Å; V268-C292 HydrophobicContact CG2-CB 4.5Å; H289-C292 HydrophobicContact CB-CB 3.96Å; H289-C292 PolarHBondContact O-N 2.78Å |
| 293 | L | 73.4 | Confident | 72.8 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.068 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -81.3 | 160 | 170.8 | -65.9 | 169.5 | 0 | 0 | 0 | 111 | L279 Y288 H289 P295 P296 L297 W305 P308 | L279-L293 HydrophobicContact CD1-CD1 4.1Å; Y288-L293 HydrophobicContact CD1-CD2 4Å; Y288-L293 HydrophobicContact CG-CD2 4.06Å; H289-L293 PolarHBondContact O-N 2.91Å; L293-P295 VanDerWaalsContact C-C 3.49Å; L293-P295 CarbonylContact C-O 3.58Å; L293-P295 WeakPolarHBondContact CB-O 3.27Å; L293-P295 CarbonylContact O-C 3.38Å; L293-P295 VanDerWaalsContact O-C 3.24Å; L293-P296 WeakPolarHBondContact O-CA 3.38Å; L293-P296 WeakPolarHBondContact O-CD 3.48Å; L293-P296 VanDerWaalsContact O-N 3.07Å; L293-L297 HydrophobicContact CD1-CD1 3.58Å; L293-L297 HydrophobicContact CD1-CG 3.83Å; L293-W305 HydrophobicContact CD1-CZ2 3.79Å; L293-W305 HydrophobicContact CD2-CH2 4.2Å; L293-W305 HydrophobicContact CD2-CZ2 3.91Å; L293-P308 HydrophobicContact CD2-CG 3.88Å |
| 294 | V | 59.2 | Low | 73.2 | Confident | 136 Ų | 136 | 76 Ų | 76 | 82% | 0.824 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -125.8 | 111.5 | 173.5 | -178 | 0 | 0 | 0 | 0 | 108.4 | ||
| 295 | P | 56 | Low | 73.4 | Confident | 103 Ų | 103 | 76.3 Ų | 76.3 | 67% | 0.669 | 43% | 0.431 | S | S | * | . | S | Bend | cis | -64.9 | 155.8 | -9 | 30.7 | -36.2 | 0 | 0 | 0 | 112.4 | L293 | L293-P295 VanDerWaalsContact C-C 3.49Å; L293-P295 CarbonylContact C-O 3.58Å; L293-P295 WeakPolarHBondContact CB-O 3.27Å; L293-P295 CarbonylContact O-C 3.38Å; L293-P295 VanDerWaalsContact O-C 3.24Å |
| 296 | P | 74.1 | Confident | 73.4 | Confident | 89 Ų | 89 | 74 Ų | 74 | 58% | 0.578 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 144.8 | 171.2 | -27.1 | 36.8 | 0 | 0 | 0 | 112.5 | L293 | L293-P296 WeakPolarHBondContact O-CA 3.38Å; L293-P296 WeakPolarHBondContact O-CD 3.48Å; L293-P296 VanDerWaalsContact O-N 3.07Å |
| 297 | L | 75.5 | Confident | 73.2 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 33% | 0.33 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -97.2 | 136.4 | 168.6 | -60 | -179.1 | 0 | 0 | 0 | 109.7 | L279 T290 L293 P301 | L279-L297 HydrophobicContact CD1-CD1 4.07Å; T290-L297 WeakPolarHBondContact CB-O 3.34Å; T290-L297 HydrophobicContact CG2-CB 4.48Å; T290-L297 PolarHBondContact O-N 3.36Å; T290-L297 PolarHBondContact OG1-O 2.95Å; L293-L297 HydrophobicContact CD1-CD1 3.58Å; L293-L297 HydrophobicContact CD1-CG 3.83Å; L297-P301 HydrophobicContact CD1-CG 4.2Å |
| 298 | S | 75.2 | Confident | 72.4 | Confident | 103 Ų | 103 | 72.3 Ų | 72.3 | 72% | 0.72 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -70.5 | -40.5 | 173.4 | 52.2 | 0 | 0 | 0 | 0 | 112 | ||
| 299 | D | 74.5 | Confident | 71.5 | Confident | 116 Ų | 116 | 77.2 Ų | 77.2 | 62% | 0.62 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -131.7 | 165 | -168.5 | -57.5 | -87.8 | 0 | 0 | 0 | 111.6 | P301 | D299-P301 WeakPolarHBondContact O-CD 3.33Š|
| 300 | I | 76.1 | Confident | 70.3 | Confident | 102 Ų | 102 | 77.8 Ų | 77.8 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 123.8 | 170.8 | -59.6 | 168.8 | 0 | 0 | 0 | 109 | D276 L279 | D276-I300 WeakPolarHBondContact O-CD1 3.29Å; L279-I300 HydrophobicContact CD2-CB 4.38Å; L279-I300 HydrophobicContact CD2-CG1 4.21Å; L279-I300 HydrophobicContact CD2-CG2 3.91Å |
| 301 | P | 66.8 | Low | 69 | Low | 49 Ų | 49 | 82.3 Ų | 82.3 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 134.5 | 177.6 | 27.3 | -32.4 | 0 | 0 | 0 | 111.7 | L279 L297 D299 G303 W305 | L279-P301 HydrophobicContact CD1-CG 4.14Å; L297-P301 HydrophobicContact CD1-CG 4.2Å; D299-P301 WeakPolarHBondContact O-CD 3.33Å; P301-G303 PolarHBondContact O-N 2.95Å; P301-W305 VanDerWaalsContact CG-CD1 3.43Å; P301-W305 HydrophobicContact CG-CG 4.13Å |
| 302 | Y | 57.7 | Low | 67.4 | Low | 247 Ų | 247 | 84.5 Ų | 84.5 | 97% | 0.969 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -69.8 | 119.6 | 177.8 | -86.3 | -92.6 | 0 | 0 | 0 | 112.2 | ||
| 303 | G | 61.4 | Low | 66 | Low | 70 Ų | 70 | 87.5 Ų | 87.5 | 72% | 0.722 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 116.9 | -151.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P301 | P301-G303 PolarHBondContact O-N 2.95Š|
| 304 | V | 63.7 | Low | 64.7 | Low | 107 Ų | 107 | 91.6 Ų | 91.6 | 65% | 0.648 | 50% | 0.497 | S | S | * | . | trans | -79.5 | 119.2 | 179.9 | -178 | 0 | 0 | 0 | 0 | 108.9 | E282 F306 | E282-V304 HydrophobicContact CB-CG1 4.14Å; E282-V304 HydrophobicContact CG-CG1 3.99Å; V304-F306 HydrophobicContact CG1-CD2 4.49Å; V304-F306 HydrophobicContact CG1-CE1 4.42Å; V304-F306 HydrophobicContact CG1-CE2 3.65Å; V304-F306 HydrophobicContact CG1-CZ 3.61Å | ||
| 305 | W | 76 | Confident | 63.8 | Low | 36 Ų | 36 | 92.3 Ų | 92.3 | 14% | 0.136 | 49% | 0.486 | C | S | . | . | trans | -105.9 | 142.5 | -178.6 | -172.7 | 79.5 | 0 | 0 | 0 | 113.2 | L279 C281 E282 Y288 L293 P301 C307 | L279-W305 HydrophobicContact CB-CD2 4.04Å; L279-W305 HydrophobicContact CB-CE3 3.73Å; L279-W305 HydrophobicContact CB-CH2 4.03Å; L279-W305 HydrophobicContact CB-CZ2 4.33Å; L279-W305 HydrophobicContact CB-CZ3 3.72Å; L279-W305 HydrophobicContact CD1-CD2 3.97Å; L279-W305 HydrophobicContact CD1-CE3 4.49Å; L279-W305 HydrophobicContact CD1-CG 4.35Å; L279-W305 HydrophobicContact CD1-CH2 4.42Å; L279-W305 HydrophobicContact CD1-CZ2 3.91Å; C281-W305 HydrophobicContact CB-CE3 4.3Å; C281-W305 HydrophobicContact CB-CZ3 4Å; E282-W305 PolarHBondContact N-O 3.41Å; E282-W305 VanDerWaalsContact N-O 3.1Å; Y288-W305 AromaticContact CD2-CH2 3.68Å; Y288-W305 HydrophobicContact CD2-CH2 3.68Å; Y288-W305 HydrophobicContact CD2-CZ3 4.04Å; Y288-W305 AromaticContact CG-CH2 3.99Å; Y288-W305 HydrophobicContact CG-CH2 3.99Å; L293-W305 HydrophobicContact CD1-CZ2 3.79Å; L293-W305 HydrophobicContact CD2-CH2 4.2Å; L293-W305 HydrophobicContact CD2-CZ2 3.91Å; P301-W305 VanDerWaalsContact CG-CD1 3.43Å; P301-W305 HydrophobicContact CG-CG 4.13Å; W305-C307 VanDerWaalsContact CH2-CA 3.43Å; W305-C307 HydrophobicContact CH2-CB 3.52Å; W305-C307 HydrophobicContact CZ2-CB 4.25Å; W305-C307 HydrophobicContact CZ3-CB 3.81Å | ||
| 306 | F | 69.7 | Low | 63 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 36% | 0.36 | 48% | 0.476 | S | S | . | . | trans | -128.9 | 134.9 | 175.7 | -60.7 | -76.7 | 0 | 0 | 0 | 109.1 | E282 A283 V304 C310 I311 | E282-F306 HydrophobicContact CB-CD1 4.3Å; E282-F306 HydrophobicContact CB-CE1 3.86Å; E282-F306 HydrophobicContact CB-CZ 4.44Å; A283-F306 HydrophobicContact CB-CD1 3.65Å; A283-F306 HydrophobicContact CB-CE1 3.86Å; V304-F306 HydrophobicContact CG1-CD2 4.49Å; V304-F306 HydrophobicContact CG1-CE1 4.42Å; V304-F306 HydrophobicContact CG1-CE2 3.65Å; V304-F306 HydrophobicContact CG1-CZ 3.61Å; F306-C310 HydrophobicContact CB-CB 4.33Å; F306-I311 HydrophobicContact CB-CD1 4.35Å; F306-I311 HydrophobicContact CB-CG1 3.77Å; F306-I311 VanDerWaalsContact O-CD1 3.28Å; F306-I311 WeakPolarHBondContact O-CD1 3.4Å | ||
| 307 | C | 73.9 | Confident | 61.3 | Low | 0 Ų | 0 | 92.9 Ų | 92.9 | 0% | 0 | 48% | 0.475 | C | S | . | . | trans | -67.9 | 157.9 | 178.7 | 73 | 0 | 0 | 0 | 0 | 111.8 | C281 Y288 W305 R309 C310 I311 | C281-C307 HydrophobicContact CB-CB 4.01Å; C281-C307 PolarHBondContact SG-N 2.97Å; Y288-C307 HydrophobicContact CD2-CB 3.64Å; Y288-C307 HydrophobicContact CE2-CB 3.25Å; W305-C307 VanDerWaalsContact CH2-CA 3.43Å; W305-C307 HydrophobicContact CH2-CB 3.52Å; W305-C307 HydrophobicContact CZ2-CB 4.25Å; W305-C307 HydrophobicContact CZ3-CB 3.81Å; C307-R309 PolarHBondContact O-N 3.16Å; C307-C310 WeakPolarHBondContact O-CA 3.46Å; C307-C310 PolarHBondContact O-N 3.44Å; C307-C310 VanDerWaalsContact SG-SG 3.61Å; C307-I311 PolarHBondContact O-N 2.93Å | ||
| 308 | P | 67.6 | Low | 59.3 | Low | 62 Ų | 62 | 93.1 Ų | 93.1 | 40% | 0.403 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -52.7 | -34.9 | -178.9 | -29.5 | 36.1 | 0 | 0 | 0 | 113.8 | L293 I311 Q312 | L293-P308 HydrophobicContact CD2-CG 3.88Å; P308-I311 PolarHBondContact O-N 2.86Å; P308-Q312 WeakPolarHBondContact O-CB 3.3Å; P308-Q312 PolarHBondContact O-N 2.89Å |
| 309 | R | 64.9 | Low | 57.4 | Low | 130 Ų | 130 | 93.1 Ų | 93.1 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 174.8 | -176.3 | 179 | 176.5 | -165.3 | -1.2 | 113 | Y286 C307 L313 | Y286-R309 VanDerWaalsContact CE2-NH1 3.3Å; C307-R309 PolarHBondContact O-N 3.16Å; R309-L313 HydrophobicContact CG-CD1 4.2Å; R309-L313 WeakPolarHBondContact O-CB 3.26Å; R309-L313 VanDerWaalsContact O-CG 3.23Å; R309-L313 WeakPolarHBondContact O-CG 3.14Å; R309-L313 PolarHBondContact O-N 2.74Å |
| 310 | C | 63.2 | Low | 55.7 | Low | 12 Ų | 12 | 91.6 Ų | 91.6 | 8% | 0.081 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -75.2 | -39.1 | 176.3 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | A283 C284 F306 C307 Q312 L313 E314 | A283-C310 HydrophobicContact CB-CB 4.03Å; C284-C310 PolarHBondContact SG-SG 3.06Å; F306-C310 HydrophobicContact CB-CB 4.33Å; C307-C310 WeakPolarHBondContact O-CA 3.46Å; C307-C310 PolarHBondContact O-N 3.44Å; C307-C310 VanDerWaalsContact SG-SG 3.61Å; C310-Q312 VanDerWaalsContact C-N 3.31Å; C310-Q312 PolarHBondContact O-N 3.48Å; C310-L313 PolarHBondContact O-N 2.84Å; C310-E314 PolarHBondContact O-N 3.33Å |
| 311 | I | 55.1 | Low | 54.1 | Low | 98 Ų | 98 | 90.8 Ų | 90.8 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 171.5 | -64.2 | 176.7 | 0 | 0 | 0 | 110 | F306 C307 P308 L313 E314 Y315 | F306-I311 HydrophobicContact CB-CD1 4.35Å; F306-I311 HydrophobicContact CB-CG1 3.77Å; F306-I311 VanDerWaalsContact O-CD1 3.28Å; F306-I311 WeakPolarHBondContact O-CD1 3.4Å; C307-I311 PolarHBondContact O-N 2.93Å; P308-I311 PolarHBondContact O-N 2.86Å; I311-L313 PolarHBondContact O-N 2.94Å; I311-E314 PolarHBondContact O-N 3.34Å; I311-Y315 WeakPolarHBondContact O-CB 3.42Å; I311-Y315 PolarHBondContact O-N 3.08Å |
| 312 | Q | 51.2 | Low | 52.8 | Low | 129 Ų | 129 | 90.4 Ų | 90.4 | 60% | 0.603 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.4 | -37.6 | 176.7 | -169.3 | 178.7 | 24 | 0 | 0 | 112.1 | P308 C310 V316 | P308-Q312 WeakPolarHBondContact O-CB 3.3Å; P308-Q312 PolarHBondContact O-N 2.89Å; C310-Q312 VanDerWaalsContact C-N 3.31Å; C310-Q312 PolarHBondContact O-N 3.48Å; Q312-V316 HydrophobicContact CG-CG2 4.47Å; Q312-V316 VanDerWaalsContact O-CB 3.25Å; Q312-V316 WeakPolarHBondContact O-CB 3.36Å; Q312-V316 WeakPolarHBondContact O-CG2 3.44Å; Q312-V316 PolarHBondContact O-N 2.97Å |
| 313 | L | 50.1 | Low | 52.4 | Low | 91 Ų | 91 | 80.9 Ų | 80.9 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 175.7 | -76.3 | 167.6 | 0 | 0 | 0 | 112.7 | R309 C310 I311 V316 K317 | R309-L313 HydrophobicContact CG-CD1 4.2Å; R309-L313 WeakPolarHBondContact O-CB 3.26Å; R309-L313 VanDerWaalsContact O-CG 3.23Å; R309-L313 WeakPolarHBondContact O-CG 3.14Å; R309-L313 PolarHBondContact O-N 2.74Å; C310-L313 PolarHBondContact O-N 2.84Å; I311-L313 PolarHBondContact O-N 2.94Å; L313-V316 PolarHBondContact O-N 2.88Å; L313-K317 VanDerWaalsContact O-CG 3.31Å; L313-K317 WeakPolarHBondContact O-CG 3.43Å; L313-K317 PolarHBondContact O-N 3.4Å |
| 314 | E | 47.3 | Very low | 52.3 | Low | 99 Ų | 99 | 79.7 Ų | 79.7 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71 | -33.6 | 173.2 | -66.4 | -51.9 | 139.3 | 0 | 0 | 112.3 | C310 I311 K317 A318 | C310-E314 PolarHBondContact O-N 3.33Å; I311-E314 PolarHBondContact O-N 3.34Å; E314-K317 PolarHBondContact O-N 3.12Å; E314-K317 IonicContact OE1-NZ 2.8Å; E314-K317 PolarHBondContact OE1-NZ 3.47Å; E314-K317 WeakPolarHBondContact OE2-CD 3.37Å; E314-K317 IonicContact OE2-NZ 3.48Å; E314-K317 PolarHBondContact OE2-NZ 3.12Å; E314-A318 VanDerWaalsContact O-CB 3.28Å; E314-A318 WeakPolarHBondContact O-CB 3.28Å; E314-A318 PolarHBondContact O-N 2.97Å |
| 315 | Y | 40.8 | Very low | 52.3 | Low | 150 Ų | 150 | 81.9 Ų | 81.9 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.5 | -38.9 | 172.5 | -171.9 | -112.2 | 0 | 0 | 0 | 111.6 | I311 A318 L319 | I311-Y315 WeakPolarHBondContact O-CB 3.42Å; I311-Y315 PolarHBondContact O-N 3.08Å; Y315-A318 PolarHBondContact O-N 3.38Å; Y315-L319 HydrophobicContact CD1-CD1 3.81Å; Y315-L319 HydrophobicContact CE1-CD1 3.48Å; Y315-L319 VanDerWaalsContact CE1-CD1 3.48Å; Y315-L319 HydrophobicContact CE1-CG 4.31Å; Y315-L319 WeakPolarHBondContact O-CB 3.29Å; Y315-L319 VanDerWaalsContact O-CG 3.3Å; Y315-L319 WeakPolarHBondContact O-CG 3.49Å; Y315-L319 PolarHBondContact O-N 3.5Å |
| 316 | V | 38.8 | Very low | 52 | Low | 78 Ų | 78 | 85.7 Ų | 85.7 | 47% | 0.473 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 172.2 | 166.2 | 0 | 0 | 0 | 0 | 111.3 | Q312 L313 L319 D320 | Q312-V316 HydrophobicContact CG-CG2 4.47Å; Q312-V316 VanDerWaalsContact O-CB 3.25Å; Q312-V316 WeakPolarHBondContact O-CB 3.36Å; Q312-V316 WeakPolarHBondContact O-CG2 3.44Å; Q312-V316 PolarHBondContact O-N 2.97Å; L313-V316 PolarHBondContact O-N 2.88Å; V316-L319 PolarHBondContact O-N 3.4Å; V316-D320 WeakPolarHBondContact O-CB 3.42Å; V316-D320 PolarHBondContact O-N 2.95Å |
| 317 | K | 37.6 | Very low | 52.4 | Low | 126 Ų | 126 | 82.8 Ų | 82.8 | 55% | 0.548 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 169.9 | -74.5 | 166.9 | 172.7 | -176.7 | 0 | 112.7 | L313 E314 L319 D320 | L313-K317 VanDerWaalsContact O-CG 3.31Å; L313-K317 WeakPolarHBondContact O-CG 3.43Å; L313-K317 PolarHBondContact O-N 3.4Å; E314-K317 PolarHBondContact O-N 3.12Å; E314-K317 IonicContact OE1-NZ 2.8Å; E314-K317 PolarHBondContact OE1-NZ 3.47Å; E314-K317 WeakPolarHBondContact OE2-CD 3.37Å; E314-K317 IonicContact OE2-NZ 3.48Å; E314-K317 PolarHBondContact OE2-NZ 3.12Å; K317-L319 VanDerWaalsContact C-N 3.3Å; K317-L319 PolarHBondContact O-N 2.87Å; K317-D320 CarbonylContact O-C 3.59Å; K317-D320 VanDerWaalsContact O-C 3.28Å; K317-D320 PolarHBondContact O-N 3.42Å |
| 318 | A | 34.7 | Very low | 52.4 | Low | 69 Ų | 69 | 90 Ų | 90 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70 | -28 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E314 Y315 | E314-A318 VanDerWaalsContact O-CB 3.28Å; E314-A318 WeakPolarHBondContact O-CB 3.28Å; E314-A318 PolarHBondContact O-N 2.97Å; Y315-A318 PolarHBondContact O-N 3.38Å |
| 319 | L | 33.3 | Very low | 53 | Low | 103 Ų | 103 | 92 Ų | 92 | 54% | 0.539 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -81.3 | -35.4 | 169.8 | -71.7 | 174.8 | 0 | 0 | 0 | 112.5 | Y315 V316 K317 W321 | Y315-L319 HydrophobicContact CD1-CD1 3.81Å; Y315-L319 HydrophobicContact CE1-CD1 3.48Å; Y315-L319 VanDerWaalsContact CE1-CD1 3.48Å; Y315-L319 HydrophobicContact CE1-CG 4.31Å; Y315-L319 WeakPolarHBondContact O-CB 3.29Å; Y315-L319 VanDerWaalsContact O-CG 3.3Å; Y315-L319 WeakPolarHBondContact O-CG 3.49Å; Y315-L319 PolarHBondContact O-N 3.5Å; V316-L319 PolarHBondContact O-N 3.4Å; K317-L319 VanDerWaalsContact C-N 3.3Å; K317-L319 PolarHBondContact O-N 2.87Å; L319-W321 PolarHBondContact O-N 2.92Å |
| 320 | D | 38.8 | Very low | 53.9 | Low | 83 Ų | 83 | 91 Ų | 91 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | trans | -77.5 | 55.5 | 169.5 | -169.7 | 16.7 | 0 | 0 | 0 | 110.9 | V316 K317 S322 G323 | V316-D320 WeakPolarHBondContact O-CB 3.42Å; V316-D320 PolarHBondContact O-N 2.95Å; K317-D320 CarbonylContact O-C 3.59Å; K317-D320 VanDerWaalsContact O-C 3.28Å; K317-D320 PolarHBondContact O-N 3.42Å; D320-S322 PolarHBondContact O-N 2.66Å; D320-S322 WeakPolarHBondContact OD1-CB 3.16Å; D320-S322 PolarHBondContact OD1-OG 3.3Å; D320-G323 PolarHBondContact O-N 3.41Å; D320-G323 PolarHBondContact OD1-N 3.13Å | ||
| 321 | W | 42.8 | Very low | 54.9 | Low | 86 Ų | 86 | 90.8 Ų | 90.8 | 33% | 0.326 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -8.7 | 173.5 | -149.5 | 38 | 0 | 0 | 0 | 112.5 | L84 L319 G323 L512 H516 V519 I524 | L84-W321 HydrophobicContact CD1-CH2 4.36Å; L319-W321 PolarHBondContact O-N 2.92Å; W321-G323 VanDerWaalsContact C-N 3.31Å; W321-L512 HydrophobicContact CH2-CD1 3.38Å; W321-L512 HydrophobicContact CZ3-CD1 3.61Å; W321-H516 AromaticContact CE3-CE1 3.91Å; W321-H516 AromaticContact CE3-CG 3.95Å; W321-H516 AromaticContact CE3-ND1 3.78Å; W321-H516 AromaticContact CH2-CD2 3.5Å; W321-H516 VanDerWaalsContact CH2-CD2 3.5Å; W321-H516 WeakPolarHBondContact CH2-CD2 3.41Å; W321-H516 AromaticContact CH2-NE2 3.49Å; W321-H516 WeakPolarHBondContact CH2-NE2 3.49Å; W321-H516 HydrophobicContact CZ3-CB 3.99Å; W321-H516 AromaticContact CZ3-CD2 3.31Å; W321-H516 WeakPolarHBondContact CZ3-CD2 3.16Å; W321-H516 AromaticContact CZ3-CE1 3.75Å; W321-H516 AromaticContact CZ3-CG 3.39Å; W321-H516 AromaticContact CZ3-ND1 3.67Å; W321-H516 AromaticContact CZ3-NE2 3.55Å; W321-V519 HydrophobicContact CZ3-CG2 4.33Å; W321-I524 HydrophobicContact CB-CD1 4.31Å; W321-I524 HydrophobicContact CD2-CD1 4.22Å; W321-I524 HydrophobicContact CE3-CD1 3.99Å; W321-I524 HydrophobicContact CG-CD1 4.34Å; W321-I524 WeakPolarHBondContact O-CD1 3.4Å |
| 322 | S | 39.6 | Very low | 56.4 | Low | 41 Ų | 41 | 88 Ų | 88 | 29% | 0.287 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18.3 | 167.3 | 15.6 | 0 | 0 | 0 | 0 | 114 | D320 F324 | D320-S322 PolarHBondContact O-N 2.66Å; D320-S322 WeakPolarHBondContact OD1-CB 3.16Å; D320-S322 PolarHBondContact OD1-OG 3.3Å; S322-F324 PolarHBondContact O-N 3.25Å |
| 323 | G | 50.9 | Low | 57.9 | Low | 47 Ų | 47 | 82.3 Ų | 82.3 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | trans | -81.3 | 93.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D320 W321 | D320-G323 PolarHBondContact O-N 3.41Å; D320-G323 PolarHBondContact OD1-N 3.13Å; W321-G323 VanDerWaalsContact C-N 3.31Å | ||
| 324 | F | 58.8 | Low | 59.5 | Low | 45 Ų | 45 | 82.3 Ų | 82.3 | 20% | 0.197 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 138.4 | 158.3 | -71.6 | -70.9 | 0 | 0 | 0 | 110.6 | R68 L69 Q70 L75 S322 L326 I524 | R68-F324 HydrophobicContact CB-CB 3.77Å; R68-F324 HydrophobicContact CG-CB 4.27Å; L69-F324 WeakPolarHBondContact O-CD1 3.49Å; Q70-F324 HydrophobicContact CB-CE1 4.36Å; Q70-F324 HydrophobicContact CG-CD1 3.98Å; Q70-F324 HydrophobicContact CG-CE1 3.98Å; Q70-F324 HydrophobicContact CG-CG 4.28Å; Q70-F324 HydrophobicContact CG-CZ 4.26Å; L75-F324 HydrophobicContact CD2-CE1 3.43Å; L75-F324 VanDerWaalsContact CD2-CE1 3.43Å; L75-F324 HydrophobicContact CD2-CZ 3.51Å; S322-F324 PolarHBondContact O-N 3.25Å; F324-L326 PolarHBondContact O-N 3.13Å; F324-I524 HydrophobicContact CE2-CG2 4.28Å; F324-I524 HydrophobicContact CZ-CG2 4.33Å |
| 325 | E | 63.1 | Low | 61.5 | Low | 153 Ų | 153 | 80.7 Ų | 80.7 | 72% | 0.715 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 134.6 | 176.2 | -67 | -170.9 | 157.1 | 0 | 0 | 110.9 | R68 L69 | R68-E325 CarbonylContact C-O 3.57Å; R68-E325 WeakPolarHBondContact CA-O 3.39Å; L69-E325 HydrophobicContact CB-CB 4.41Å; L69-E325 WeakPolarHBondContact CB-O 3.33Å; L69-E325 HydrophobicContact CD1-CB 4.42Å; L69-E325 PolarHBondContact N-O 3.2Å |
| 326 | L | 70.5 | Confident | 63.8 | Low | 116 Ų | 116 | 73.6 Ų | 73.6 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -83.1 | 142.8 | 173.7 | -71.1 | 170.6 | 0 | 0 | 0 | 110.1 | V66 R68 F324 | V66-L326 HydrophobicContact CG1-CB 4.07Å; V66-L326 HydrophobicContact CG1-CD2 4.2Å; R68-L326 HydrophobicContact CG-CD2 3.89Å; F324-L326 PolarHBondContact O-N 3.13Å |
| 327 | D | 76.6 | Confident | 66.2 | Low | 21 Ų | 21 | 73.8 Ų | 73.8 | 11% | 0.112 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 145.9 | 169.4 | -161.1 | -31.4 | 0 | 0 | 0 | 110.6 | V66 P67 L69 R329 Y331 K382 | V66-D327 HydrophobicContact CG1-CB 4.34Å; V66-D327 WeakPolarHBondContact CG1-O 3.36Å; P67-D327 HydrophobicContact CG-CB 3.95Å; P67-D327 PolarHBondContact O-N 3.34Å; L69-D327 HydrophobicContact CD2-CB 4.1Å; D327-R329 PolarHBondContact O-N 3.28Å; D327-R329 PolarHBondContact OD1-N 3.21Å; D327-Y331 WeakPolarHBondContact OD2-CE2 3.35Å; D327-K382 WeakPolarHBondContact OD2-CE 3.49Å; D327-K382 IonicContact OD2-NZ 2.79Å; D327-K382 PolarHBondContact OD2-NZ 2.82Å |
| 328 | T | 75.5 | Confident | 68.6 | Low | 150 Ų | 150 | 73.9 Ų | 73.9 | 92% | 0.92 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -71.9 | -18.4 | 172.8 | 61.9 | 0 | 0 | 0 | 0 | 113 | ||
| 329 | R | 80.5 | Confident | 71.3 | Confident | 105 Ų | 105 | 73.8 Ų | 73.8 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -104.9 | 136.3 | 179.3 | 176.1 | 174.3 | 176.5 | -160 | 6.9 | 111.7 | D327 Y331 E335 | D327-R329 PolarHBondContact O-N 3.28Å; D327-R329 PolarHBondContact OD1-N 3.21Å; R329-Y331 HydrophobicContact CB-CD2 4.3Å; R329-Y331 HydrophobicContact CB-CE2 3.71Å; R329-Y331 HydrophobicContact CG-CD2 3.91Å; R329-Y331 HydrophobicContact CG-CE2 3.58Å; R329-Y331 WeakPolarHBondContact O-CD2 3.26Å; R329-E335 IonicContact CZ-OE1 3.65Å; R329-E335 IonicContact NE-OE1 3.88Å; R329-E335 IonicContact NH2-OE1 2.67Å; R329-E335 PolarHBondContact NH2-OE1 3.01Å |
| 330 | Q | 82.9 | Confident | 74 | Confident | 110 Ų | 110 | 69.3 Ų | 69.3 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | trans | -85.7 | 139.3 | 163.9 | -164.9 | 178 | 6.5 | 0 | 0 | 109.4 | S64 F65 V66 | S64-Q330 PolarHBondContact O-NE2 3.39Å; S64-Q330 PolarHBondContact OG-NE2 3.06Å; F65-Q330 CarbonylContact O-C 3.53Å; F65-Q330 WeakPolarHBondContact O-CA 3.46Å; F65-Q330 WeakPolarHBondContact O-CG 3.44Å; V66-Q330 HydrophobicContact CG2-CB 4Å; V66-Q330 HydrophobicContact CG2-CG 4.02Å | ||
| 331 | Y | 85.1 | Confident | 76.3 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.5 | -173.7 | -77.7 | -100.8 | 0 | 0 | 0 | 111.3 | S64 F65 P67 D327 R329 E335 F336 E339 K382 | S64-Y331 CarbonylContact C-O 3.56Å; S64-Y331 VanDerWaalsContact CA-O 3.28Å; S64-Y331 WeakPolarHBondContact CA-O 3.41Å; F65-Y331 WeakPolarHBondContact CD1-O 3.39Å; F65-Y331 PolarHBondContact N-O 3.33Å; F65-Y331 PolarHBondContact O-N 3.03Å; P67-Y331 HydrophobicContact CG-CD2 4.08Å; P67-Y331 HydrophobicContact CG-CE2 4.37Å; D327-Y331 WeakPolarHBondContact OD2-CE2 3.35Å; R329-Y331 HydrophobicContact CB-CD2 4.3Å; R329-Y331 HydrophobicContact CB-CE2 3.71Å; R329-Y331 HydrophobicContact CG-CD2 3.91Å; R329-Y331 HydrophobicContact CG-CE2 3.58Å; R329-Y331 WeakPolarHBondContact O-CD2 3.26Å; Y331-E335 HydrophobicContact CD1-CB 3.94Å; Y331-F336 HydrophobicContact CD1-CB 4.23Å; Y331-F336 HydrophobicContact CD1-CD2 4.22Å; Y331-F336 HydrophobicContact CG-CD2 4.26Å; Y331-E339 WeakPolarHBondContact CE1-OE2 3.42Å; Y331-E339 VanDerWaalsContact CZ-OE2 3.27Å; Y331-E339 PolarHBondContact OH-OE1 3.26Å; Y331-E339 PolarHBondContact OH-OE2 3.2Å; Y331-K382 PolarHBondContact OH-NZ 3Å |
| 332 | T | 85.6 | Confident | 78.5 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 24% | 0.239 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 161.3 | 155.8 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | L63 E334 E335 F336 | L63-T332 WeakPolarHBondContact O-CA 3.46Å; T332-E334 PolarHBondContact O-N 2.93Å; T332-E335 WeakPolarHBondContact CB-OE2 3.3Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.5Å; T332-E335 PolarHBondContact N-OE2 3.43Å; T332-E335 PolarHBondContact O-N 2.76Å; T332-E335 VanDerWaalsContact OG1-CG 3.28Å; T332-E335 WeakPolarHBondContact OG1-CG 3.48Å; T332-E335 PolarHBondContact OG1-N 3.22Å; T332-E335 PolarHBondContact OG1-OE2 2.75Å; T332-F336 VanDerWaalsContact O-CB 3.32Å; T332-F336 WeakPolarHBondContact O-CB 3.36Å; T332-F336 PolarHBondContact O-N 3.16Å |
| 333 | I | 83.8 | Confident | 80.9 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.046 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.5 | -35.8 | 173.5 | -67.3 | -171.4 | 0 | 0 | 0 | 111.6 | N60 F65 F336 K337 W484 | N60-I333 WeakPolarHBondContact O-CD1 3.46Å; F65-I333 HydrophobicContact CE1-CG1 3.86Å; I333-F336 PolarHBondContact O-N 2.75Å; I333-K337 VanDerWaalsContact O-CB 3.3Å; I333-K337 WeakPolarHBondContact O-CB 3.13Å; I333-K337 PolarHBondContact O-N 2.94Å; I333-W484 HydrophobicContact CD1-CZ2 4.18Å; I333-W484 HydrophobicContact CG2-CH2 3.96Å; I333-W484 HydrophobicContact CG2-CZ2 4.42Å |
| 334 | E | 83.2 | Confident | 82.8 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71 | -43.7 | -179.2 | -62.2 | -172.7 | 143.6 | 0 | 0 | 112.8 | T332 F336 K337 Q338 | T332-E334 PolarHBondContact O-N 2.93Å; E334-F336 VanDerWaalsContact C-N 3.34Å; E334-K337 PolarHBondContact O-N 3.2Å; E334-Q338 WeakPolarHBondContact O-CG 3.47Å; E334-Q338 PolarHBondContact O-N 3.39Å; E334-Q338 VanDerWaalsContact O-N 3.16Å |
| 335 | E | 88.6 | Confident | 84.1 | Confident | 65 Ų | 65 | 69.8 Ų | 69.8 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 172.6 | -69.4 | 165.4 | 109.6 | 0 | 0 | 111.5 | R329 Y331 T332 K337 Q338 E339 | R329-E335 IonicContact CZ-OE1 3.65Å; R329-E335 IonicContact NE-OE1 3.88Å; R329-E335 IonicContact NH2-OE1 2.67Å; R329-E335 PolarHBondContact NH2-OE1 3.01Å; Y331-E335 HydrophobicContact CD1-CB 3.94Å; T332-E335 WeakPolarHBondContact CB-OE2 3.3Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.5Å; T332-E335 PolarHBondContact N-OE2 3.43Å; T332-E335 PolarHBondContact O-N 2.76Å; T332-E335 VanDerWaalsContact OG1-CG 3.28Å; T332-E335 WeakPolarHBondContact OG1-CG 3.48Å; T332-E335 PolarHBondContact OG1-N 3.22Å; T332-E335 PolarHBondContact OG1-OE2 2.75Å; E335-K337 VanDerWaalsContact C-N 3.35Å; E335-Q338 PolarHBondContact O-N 3.24Å; E335-E339 PolarHBondContact O-N 2.87Å |
| 336 | F | 89.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 178.5 | -167.2 | -108 | 0 | 0 | 0 | 111.3 | F65 P67 Y331 T332 I333 E334 Q338 E339 V340 K382 I460 L565 | F65-F336 HydrophobicContact CE2-CB 4.46Å; F65-F336 HydrophobicContact CE2-CD1 4.33Å; F65-F336 AromaticContact CE2-CD2 3.92Å; F65-F336 HydrophobicContact CE2-CD2 3.92Å; F65-F336 HydrophobicContact CE2-CE2 4.2Å; F65-F336 AromaticContact CE2-CG 3.99Å; F65-F336 HydrophobicContact CE2-CG 3.99Å; F65-F336 HydrophobicContact CZ-CB 3.76Å; F65-F336 AromaticContact CZ-CD1 3.89Å; F65-F336 HydrophobicContact CZ-CD1 3.89Å; F65-F336 HydrophobicContact CZ-CD2 4.04Å; F65-F336 AromaticContact CZ-CG 3.63Å; F65-F336 HydrophobicContact CZ-CG 3.63Å; P67-F336 HydrophobicContact CB-CE2 4.04Å; P67-F336 HydrophobicContact CG-CE2 4.1Å; Y331-F336 HydrophobicContact CD1-CB 4.23Å; Y331-F336 HydrophobicContact CD1-CD2 4.22Å; Y331-F336 HydrophobicContact CG-CD2 4.26Å; T332-F336 VanDerWaalsContact O-CB 3.32Å; T332-F336 WeakPolarHBondContact O-CB 3.36Å; T332-F336 PolarHBondContact O-N 3.16Å; I333-F336 PolarHBondContact O-N 2.75Å; E334-F336 VanDerWaalsContact C-N 3.34Å; F336-Q338 PolarHBondContact O-N 3.27Å; F336-E339 PolarHBondContact O-N 2.79Å; F336-V340 HydrophobicContact CD1-CG2 3.95Å; F336-V340 HydrophobicContact CE1-CG2 3.68Å; F336-V340 HydrophobicContact CE2-CG2 4.35Å; F336-V340 HydrophobicContact CG-CG2 4.39Å; F336-V340 HydrophobicContact CZ-CG2 3.9Å; F336-V340 WeakPolarHBondContact O-CB 3.48Å; F336-V340 VanDerWaalsContact O-CG2 3.29Å; F336-V340 WeakPolarHBondContact O-CG2 3.28Å; F336-V340 PolarHBondContact O-N 2.86Å; F336-K382 HydrophobicContact CE2-CB 3.67Å; F336-K382 HydrophobicContact CE2-CD 4.46Å; F336-K382 HydrophobicContact CZ-CB 4Å; F336-I460 HydrophobicContact CD1-CG2 4.02Å; F336-I460 HydrophobicContact CE1-CG2 3.98Å; F336-L565 HydrophobicContact CD1-CD1 3.63Å; F336-L565 HydrophobicContact CE1-CD1 4.01Å |
| 337 | K | 88.2 | Confident | 86 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57 | -48.1 | 173.9 | 175.4 | 158.2 | -176.6 | 55.9 | 0 | 111.9 | I333 E334 E335 E339 V340 D341 L565 | I333-K337 VanDerWaalsContact O-CB 3.3Å; I333-K337 WeakPolarHBondContact O-CB 3.13Å; I333-K337 PolarHBondContact O-N 2.94Å; E334-K337 PolarHBondContact O-N 3.2Å; E335-K337 VanDerWaalsContact C-N 3.35Å; K337-E339 VanDerWaalsContact C-N 3.34Å; K337-E339 PolarHBondContact O-N 3.36Å; K337-V340 PolarHBondContact O-N 3.47Å; K337-D341 VanDerWaalsContact CE-OD2 3.3Å; K337-D341 WeakPolarHBondContact CE-OD2 3.09Å; K337-D341 IonicContact NZ-OD1 3.89Å; K337-D341 PolarHBondContact NZ-OD1 3.39Å; K337-D341 IonicContact NZ-OD2 3.58Å; K337-D341 PolarHBondContact NZ-OD2 3.45Å; K337-D341 VanDerWaalsContact O-CB 3.31Å; K337-D341 WeakPolarHBondContact O-CB 3.44Å; K337-D341 VanDerWaalsContact O-CG 3.31Å; K337-D341 PolarHBondContact O-N 3.42Å; K337-L565 HydrophobicContact CB-CD2 3.61Å; K337-L565 HydrophobicContact CD-CD2 3.65Å; K337-L565 HydrophobicContact CG-CD2 3.66Å |
| 338 | Q | 88.4 | Confident | 86.5 | Confident | 128 Ų | 128 | 68.3 Ų | 68.3 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.3 | -47.3 | -179.9 | -69.7 | 170.4 | 16.7 | 0 | 0 | 111 | E334 E335 F336 E342 | E334-Q338 WeakPolarHBondContact O-CG 3.47Å; E334-Q338 PolarHBondContact O-N 3.39Å; E334-Q338 VanDerWaalsContact O-N 3.16Å; E335-Q338 PolarHBondContact O-N 3.24Å; F336-Q338 PolarHBondContact O-N 3.27Å; Q338-E342 VanDerWaalsContact O-CB 3.31Å; Q338-E342 WeakPolarHBondContact O-CB 3.47Å; Q338-E342 WeakPolarHBondContact O-CG 3.23Å; Q338-E342 PolarHBondContact O-N 3.46Å |
| 339 | E | 90.6 | Very high | 86.5 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | -179.4 | -162.4 | 175.6 | 126.6 | 0 | 0 | 113 | Y331 E335 F336 K337 F343 K382 | Y331-E339 WeakPolarHBondContact CE1-OE2 3.42Å; Y331-E339 VanDerWaalsContact CZ-OE2 3.27Å; Y331-E339 PolarHBondContact OH-OE1 3.26Å; Y331-E339 PolarHBondContact OH-OE2 3.2Å; E335-E339 PolarHBondContact O-N 2.87Å; F336-E339 PolarHBondContact O-N 2.79Å; K337-E339 VanDerWaalsContact C-N 3.34Å; K337-E339 PolarHBondContact O-N 3.36Å; E339-F343 VanDerWaalsContact O-CB 3.27Å; E339-F343 WeakPolarHBondContact O-CB 3.26Å; E339-F343 PolarHBondContact O-N 2.97Å; E339-K382 WeakPolarHBondContact OE1-CD 3.33Å; E339-K382 WeakPolarHBondContact OE1-CE 3.49Å; E339-K382 IonicContact OE1-NZ 2.67Å; E339-K382 PolarHBondContact OE1-NZ 3.03Å; E339-K382 IonicContact OE2-NZ 3.79Å |
| 340 | V | 90.4 | Very high | 85.4 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.8 | -44.1 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | F336 K337 F343 K344 L565 | F336-V340 HydrophobicContact CD1-CG2 3.95Å; F336-V340 HydrophobicContact CE1-CG2 3.68Å; F336-V340 HydrophobicContact CE2-CG2 4.35Å; F336-V340 HydrophobicContact CG-CG2 4.39Å; F336-V340 HydrophobicContact CZ-CG2 3.9Å; F336-V340 WeakPolarHBondContact O-CB 3.48Å; F336-V340 VanDerWaalsContact O-CG2 3.29Å; F336-V340 WeakPolarHBondContact O-CG2 3.28Å; F336-V340 PolarHBondContact O-N 2.86Å; K337-V340 PolarHBondContact O-N 3.47Å; V340-F343 PolarHBondContact O-N 2.74Å; V340-K344 WeakPolarHBondContact O-CB 3.49Å; V340-K344 PolarHBondContact O-N 2.87Å; V340-L565 HydrophobicContact CG1-CB 4.07Å |
| 341 | D | 86.8 | Confident | 83.5 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.1 | -75.4 | 12.7 | 0 | 0 | 0 | 110.2 | K337 K344 A345 | K337-D341 VanDerWaalsContact CE-OD2 3.3Å; K337-D341 WeakPolarHBondContact CE-OD2 3.09Å; K337-D341 IonicContact NZ-OD1 3.89Å; K337-D341 PolarHBondContact NZ-OD1 3.39Å; K337-D341 IonicContact NZ-OD2 3.58Å; K337-D341 PolarHBondContact NZ-OD2 3.45Å; K337-D341 VanDerWaalsContact O-CB 3.31Å; K337-D341 WeakPolarHBondContact O-CB 3.44Å; K337-D341 VanDerWaalsContact O-CG 3.31Å; K337-D341 PolarHBondContact O-N 3.42Å; D341-K344 PolarHBondContact O-N 2.97Å; D341-A345 VanDerWaalsContact O-CB 3.32Å; D341-A345 WeakPolarHBondContact O-CB 3.45Å; D341-A345 PolarHBondContact O-N 3.42Å |
| 342 | E | 90.1 | Very high | 81.3 | Confident | 114 Ų | 114 | 79.9 Ų | 79.9 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 174.7 | -85.7 | -165.9 | -149.8 | 0 | 0 | 112.7 | Q338 A345 R346 | Q338-E342 VanDerWaalsContact O-CB 3.31Å; Q338-E342 WeakPolarHBondContact O-CB 3.47Å; Q338-E342 WeakPolarHBondContact O-CG 3.23Å; Q338-E342 PolarHBondContact O-N 3.46Å; E342-A345 PolarHBondContact O-N 3.48Å; E342-R346 WeakPolarHBondContact O-CB 3.4Å; E342-R346 PolarHBondContact O-N 2.9Å; E342-R346 IonicContact OE2-NH2 2.83Å; E342-R346 PolarHBondContact OE2-NH2 2.93Å |
| 343 | F | 90.7 | Very high | 79.1 | Confident | 42 Ų | 42 | 81.1 Ų | 81.1 | 18% | 0.184 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 177.3 | 169.6 | -92 | 0 | 0 | 0 | 110.9 | E339 V340 R346 H347 V379 V381 C463 F464 | E339-F343 VanDerWaalsContact O-CB 3.27Å; E339-F343 WeakPolarHBondContact O-CB 3.26Å; E339-F343 PolarHBondContact O-N 2.97Å; V340-F343 PolarHBondContact O-N 2.74Å; F343-R346 PolarHBondContact O-N 3.46Å; F343-H347 HydrophobicContact CZ-CB 4.5Å; F343-H347 WeakPolarHBondContact O-CB 3.49Å; F343-H347 PolarHBondContact O-N 3.39Å; F343-V379 HydrophobicContact CE2-CG1 4.28Å; F343-V379 HydrophobicContact CZ-CG1 3.93Å; F343-V381 HydrophobicContact CE1-CG1 4.08Å; F343-V381 HydrophobicContact CE2-CG1 4.48Å; F343-V381 HydrophobicContact CZ-CG1 3.83Å; F343-C463 HydrophobicContact CD1-CB 4.22Å; F343-C463 HydrophobicContact CE1-CB 4.23Å; F343-F464 AromaticContact CE1-CD2 3.78Å; F343-F464 HydrophobicContact CE1-CD2 3.78Å; F343-F464 AromaticContact CE1-CE2 3.99Å; F343-F464 HydrophobicContact CE1-CE2 3.99Å; F343-F464 HydrophobicContact CZ-CD2 4.01Å; F343-F464 HydrophobicContact CZ-CE2 4.18Å |
| 344 | K | 90.1 | Very high | 77.1 | Confident | 19 Ų | 19 | 89 Ų | 89 | 8% | 0.083 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | -179 | -174.1 | 173 | 177.1 | 169.9 | 0 | 111.4 | V340 D341 R346 H347 F348 C463 E486 H563 | V340-K344 WeakPolarHBondContact O-CB 3.49Å; V340-K344 PolarHBondContact O-N 2.87Å; D341-K344 PolarHBondContact O-N 2.97Å; K344-R346 VanDerWaalsContact C-N 3.32Å; K344-R346 PolarHBondContact O-N 3.29Å; K344-H347 PolarHBondContact O-N 2.97Å; K344-F348 HydrophobicContact CG-CD2 4.03Å; K344-F348 HydrophobicContact CG-CE2 4.3Å; K344-F348 WeakPolarHBondContact O-CD2 3.43Å; K344-F348 PolarHBondContact O-N 3.31Å; K344-C463 HydrophobicContact CB-CB 4.21Å; K344-C463 HydrophobicContact CD-CB 4.27Å; K344-C463 HydrophobicContact CG-CB 4.36Å; K344-E486 IonicContact NZ-OE1 2.82Å; K344-E486 PolarHBondContact NZ-OE1 3.35Å; K344-E486 IonicContact NZ-OE2 2.67Å; K344-E486 PolarHBondContact NZ-OE2 3.32Å; K344-H563 WeakPolarHBondContact CE-O 3.37Å; K344-H563 PolarHBondContact NZ-O 3.43Å |
| 345 | A | 85.2 | Confident | 75.1 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | D341 E342 A349 | D341-A345 VanDerWaalsContact O-CB 3.32Å; D341-A345 WeakPolarHBondContact O-CB 3.45Å; D341-A345 PolarHBondContact O-N 3.42Å; E342-A345 PolarHBondContact O-N 3.48Å; A345-A349 WeakPolarHBondContact O-CB 3.41Å; A345-A349 PolarHBondContact O-N 3.36Å |
| 346 | R | 87.2 | Confident | 73 | Confident | 160 Ų | 160 | 98.5 Ų | 98.5 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.6 | -36.1 | -179.7 | -164.9 | -172.1 | -53.3 | 123.8 | 0.8 | 113 | E342 F343 K344 | E342-R346 WeakPolarHBondContact O-CB 3.4Å; E342-R346 PolarHBondContact O-N 2.9Å; E342-R346 IonicContact OE2-NH2 2.83Å; E342-R346 PolarHBondContact OE2-NH2 2.93Å; F343-R346 PolarHBondContact O-N 3.46Å; K344-R346 VanDerWaalsContact C-N 3.32Å; K344-R346 PolarHBondContact O-N 3.29Å |
| 347 | H | 87.8 | Confident | 71.3 | Confident | 57 Ų | 57 | 109.9 Ų | 109.9 | 26% | 0.264 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.5 | -37.8 | -178.9 | -168 | 96.1 | 0 | 0 | 0 | 112.6 | F343 K344 E367 F464 | F343-H347 HydrophobicContact CZ-CB 4.5Å; F343-H347 WeakPolarHBondContact O-CB 3.49Å; F343-H347 PolarHBondContact O-N 3.39Å; K344-H347 PolarHBondContact O-N 2.97Å; H347-E367 IonicContact CD2-OE1 3.66Å; H347-E367 IonicContact CE1-OE1 2.69Å; H347-E367 IonicContact NE2-OE1 3.58Å; H347-E367 PolarHBondContact NE2-OE1 3.28Å; H347-F464 AromaticContact CD2-CE2 3.88Å; H347-F464 AromaticContact CD2-CZ 3.97Å; H347-F464 AromaticContact NE2-CE2 3.89Å |
| 348 | F | 86.8 | Confident | 70.4 | Confident | 42 Ų | 42 | 113 Ų | 113 | 18% | 0.184 | 55% | 0.546 | C | S | . | . | S | Bend | trans | -96 | 9.1 | -179 | -69.1 | -80.1 | 0 | 0 | 0 | 114.2 | K344 Y350 V359 V364 E367 F464 | K344-F348 HydrophobicContact CG-CD2 4.03Å; K344-F348 HydrophobicContact CG-CE2 4.3Å; K344-F348 WeakPolarHBondContact O-CD2 3.43Å; K344-F348 PolarHBondContact O-N 3.31Å; F348-Y350 VanDerWaalsContact C-N 3.31Å; F348-Y350 PolarHBondContact O-N 2.96Å; F348-V359 HydrophobicContact CB-CG2 3.76Å; F348-V359 HydrophobicContact CD1-CG1 3.73Å; F348-V359 HydrophobicContact CD1-CG2 4.31Å; F348-V359 HydrophobicContact CD2-CG1 4.39Å; F348-V359 HydrophobicContact CD2-CG2 4.17Å; F348-V359 HydrophobicContact CE1-CG1 3.81Å; F348-V359 HydrophobicContact CE2-CG1 4.45Å; F348-V359 HydrophobicContact CG-CG1 4.04Å; F348-V359 HydrophobicContact CG-CG2 3.83Å; F348-V359 HydrophobicContact CZ-CG1 4.17Å; F348-V364 HydrophobicContact CE2-CG2 4.39Å; F348-V364 HydrophobicContact CZ-CB 4.37Å; F348-V364 HydrophobicContact CZ-CG1 4.37Å; F348-V364 HydrophobicContact CZ-CG2 3.98Å; F348-E367 HydrophobicContact CE1-CB 4.14Å; F348-E367 HydrophobicContact CE1-CG 4.08Å; F348-E367 HydrophobicContact CZ-CB 4.31Å; F348-E367 HydrophobicContact CZ-CG 4.15Å; F348-F464 HydrophobicContact CE2-CE1 4.39Å; F348-F464 HydrophobicContact CE2-CE2 4.39Å; F348-F464 AromaticContact CE2-CZ 3.72Å; F348-F464 HydrophobicContact CE2-CZ 3.72Å; F348-F464 HydrophobicContact CZ-CE1 4Å; F348-F464 AromaticContact CZ-CZ 3.52Å; F348-F464 HydrophobicContact CZ-CZ 3.52Å |
| 349 | A | 75.3 | Confident | 70.1 | Confident | 75 Ų | 75 | 108.8 Ų | 108.8 | 62% | 0.62 | 53% | 0.529 | S | S | * | . | trans | -73.1 | 75.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A345 | A345-A349 WeakPolarHBondContact O-CB 3.41Å; A345-A349 PolarHBondContact O-N 3.36Å | ||
| 350 | Y | 56.3 | Low | 70 | Confident | 205 Ų | 205 | 108.2 Ų | 108.2 | 80% | 0.804 | 53% | 0.533 | S | S | * | . | trans | -66.6 | 152.1 | 161.7 | -86.6 | -90.1 | 0 | 0 | 0 | 111.1 | F348 V352 | F348-Y350 VanDerWaalsContact C-N 3.31Å; F348-Y350 PolarHBondContact O-N 2.96Å; Y350-V352 PolarHBondContact O-N 3.35Å | ||
| 351 | E | 44.3 | Very low | 70 | Confident | 201 Ų | 201 | 109 Ų | 109 | 94% | 0.939 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 3.2 | -171.2 | -60.9 | -177.2 | 123.3 | 0 | 0 | 116.1 | ||
| 352 | V | 37.5 | Very low | 70.2 | Confident | 135 Ų | 135 | 109.2 Ų | 109.2 | 82% | 0.818 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | 37.4 | -172 | -154.4 | 0 | 0 | 0 | 0 | 113.6 | Y350 | Y350-V352 PolarHBondContact O-N 3.35Š|
| 353 | C | 39.6 | Very low | 70.2 | Confident | 64 Ų | 64 | 108.6 Ų | 108.6 | 43% | 0.432 | 54% | 0.538 | S | S | . | . | trans | -157.5 | 118.2 | 155.9 | -127.8 | 0 | 0 | 0 | 0 | 117.4 | Y355 H356 | C353-Y355 VanDerWaalsContact C-N 3.27Å; C353-H356 HydrophobicContact CB-CB 4.14Å; C353-H356 PolarHBondContact SG-ND1 3.38Å; C353-H356 VanDerWaalsContact SG-ND1 3.39Å | ||
| 354 | L | 42.6 | Very low | 70.3 | Confident | 176 Ų | 176 | 106.6 Ų | 106.6 | 92% | 0.921 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -86.6 | 8.5 | 159.9 | -79.5 | 166.1 | 0 | 0 | 0 | 113 | ||
| 355 | Y | 41.9 | Very low | 70.6 | Confident | 210 Ų | 210 | 105.8 Ų | 105.8 | 82% | 0.824 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -133.5 | 8.3 | -164.8 | -91.5 | -80.5 | 0 | 0 | 0 | 116 | C353 | C353-Y355 VanDerWaalsContact C-N 3.27Š|
| 356 | H | 43.9 | Very low | 70.9 | Confident | 145 Ų | 145 | 108 Ų | 108 | 67% | 0.671 | 52% | 0.522 | S | S | * | . | trans | -113.1 | 93.8 | -178.1 | -74.9 | 9.3 | 0 | 0 | 0 | 112.5 | C353 | C353-H356 HydrophobicContact CB-CB 4.14Å; C353-H356 PolarHBondContact SG-ND1 3.38Å; C353-H356 VanDerWaalsContact SG-ND1 3.39Å | ||
| 357 | R | 54.3 | Low | 71.1 | Confident | 241 Ų | 241 | 102 Ų | 102 | 91% | 0.909 | 50% | 0.501 | S | S | * | . | trans | -74.4 | -14.2 | 162.6 | -71.3 | -170.9 | 177.4 | -161.7 | -1.1 | 113 | ||||
| 358 | N | 67.9 | Low | 71.4 | Confident | 146 Ų | 146 | 99.3 Ų | 99.3 | 78% | 0.781 | 49% | 0.489 | S | S | * | . | trans | -104.8 | 82.1 | -173.2 | -65.1 | 11 | 0 | 0 | 0 | 110.7 | ||||
| 359 | V | 83.1 | Confident | 71.8 | Confident | 41 Ų | 41 | 97.4 Ų | 97.4 | 25% | 0.248 | 48% | 0.48 | C | S | . | . | trans | -73.1 | 131.2 | 159 | -175 | 0 | 0 | 0 | 0 | 107.2 | F348 E363 V364 | F348-V359 HydrophobicContact CB-CG2 3.76Å; F348-V359 HydrophobicContact CD1-CG1 3.73Å; F348-V359 HydrophobicContact CD1-CG2 4.31Å; F348-V359 HydrophobicContact CD2-CG1 4.39Å; F348-V359 HydrophobicContact CD2-CG2 4.17Å; F348-V359 HydrophobicContact CE1-CG1 3.81Å; F348-V359 HydrophobicContact CE2-CG1 4.45Å; F348-V359 HydrophobicContact CG-CG1 4.04Å; F348-V359 HydrophobicContact CG-CG2 3.83Å; F348-V359 HydrophobicContact CZ-CG1 4.17Å; V359-E363 HydrophobicContact CG1-CB 4.1Å; V359-V364 HydrophobicContact CB-CG2 4.38Å; V359-V364 HydrophobicContact CG1-CG2 3.71Å | ||
| 360 | S | 89 | Confident | 72.5 | Confident | 54 Ų | 54 | 99 Ų | 99 | 38% | 0.378 | 47% | 0.47 | S | S | . | . | trans | -77.1 | 149 | -178.1 | 72.7 | 0 | 0 | 0 | 0 | 112.1 | D362 E363 V364 | S360-D362 PolarHBondContact O-N 3.41Å; S360-E363 VanDerWaalsContact CB-OE2 3.25Å; S360-E363 WeakPolarHBondContact CB-OE2 3.24Å; S360-E363 PolarHBondContact N-OE2 3.08Å; S360-E363 WeakPolarHBondContact O-CB 3.4Å; S360-E363 PolarHBondContact O-N 3.37Å; S360-E363 VanDerWaalsContact OG-CD 3.22Å; S360-E363 VanDerWaalsContact OG-CG 3.29Å; S360-E363 WeakPolarHBondContact OG-CG 3.36Å; S360-E363 PolarHBondContact OG-N 2.69Å; S360-E363 PolarHBondContact OG-OE2 2.99Å; S360-V364 PolarHBondContact O-N 2.81Å; S360-V364 VanDerWaalsContact O-N 3.11Å | ||
| 361 | A | 90.4 | Very high | 74.2 | Confident | 24 Ų | 24 | 89.6 Ų | 89.6 | 20% | 0.198 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.7 | -35.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E363 V364 E365 M543 H563 | A361-E363 VanDerWaalsContact C-N 3.31Å; A361-E363 PolarHBondContact O-N 3.1Å; A361-V364 PolarHBondContact O-N 2.83Å; A361-E365 WeakPolarHBondContact O-CB 3.42Å; A361-E365 PolarHBondContact O-N 3.09Å; A361-M543 HydrophobicContact CB-CE 4.33Å; A361-M543 HydrophobicContact CB-SD 3.47Å; A361-M543 WeakPolarHBondContact CB-SD 3.27Å; A361-H563 PolarHBondContact O-CE1 2.85Å |
| 362 | D | 90.4 | Very high | 76.4 | Confident | 72 Ų | 72 | 80 Ų | 80 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.1 | -24.5 | 176.4 | -86.8 | 8.9 | 0 | 0 | 0 | 113.4 | K10 S360 K366 | K10-D362 IonicContact NZ-OD1 3.7Å; K10-D362 PolarHBondContact NZ-OD1 3.18Å; S360-D362 PolarHBondContact O-N 3.41Å; D362-K366 WeakPolarHBondContact O-CD 3.46Å; D362-K366 VanDerWaalsContact O-CE 3.26Å; D362-K366 WeakPolarHBondContact O-CE 3.48Å; D362-K366 WeakPolarHBondContact O-CG 3.23Å; D362-K366 PolarHBondContact O-N 3.17Å; D362-K366 PolarHBondContact O-NZ 2.93Å |
| 363 | E | 90.5 | Very high | 78.7 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -78.7 | -44.4 | 172.4 | -71.5 | 162.1 | 130.2 | 0 | 0 | 110.6 | V359 S360 A361 E365 K366 E367 | V359-E363 HydrophobicContact CG1-CB 4.1Å; S360-E363 VanDerWaalsContact CB-OE2 3.25Å; S360-E363 WeakPolarHBondContact CB-OE2 3.24Å; S360-E363 PolarHBondContact N-OE2 3.08Å; S360-E363 WeakPolarHBondContact O-CB 3.4Å; S360-E363 PolarHBondContact O-N 3.37Å; S360-E363 VanDerWaalsContact OG-CD 3.22Å; S360-E363 VanDerWaalsContact OG-CG 3.29Å; S360-E363 WeakPolarHBondContact OG-CG 3.36Å; S360-E363 PolarHBondContact OG-N 2.69Å; S360-E363 PolarHBondContact OG-OE2 2.99Å; A361-E363 VanDerWaalsContact C-N 3.31Å; A361-E363 PolarHBondContact O-N 3.1Å; E363-E365 VanDerWaalsContact C-N 3.32Å; E363-E365 PolarHBondContact O-N 2.93Å; E363-K366 PolarHBondContact O-N 3.48Å; E363-E367 WeakPolarHBondContact O-CB 3.46Å; E363-E367 PolarHBondContact O-N 3.43Å |
| 364 | V | 93.1 | Very high | 80.8 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.6 | -172.3 | 0 | 0 | 0 | 0 | 111 | F348 V359 S360 A361 E367 F368 F464 F561 | F348-V364 HydrophobicContact CE2-CG2 4.39Å; F348-V364 HydrophobicContact CZ-CB 4.37Å; F348-V364 HydrophobicContact CZ-CG1 4.37Å; F348-V364 HydrophobicContact CZ-CG2 3.98Å; V359-V364 HydrophobicContact CB-CG2 4.38Å; V359-V364 HydrophobicContact CG1-CG2 3.71Å; S360-V364 PolarHBondContact O-N 2.81Å; S360-V364 VanDerWaalsContact O-N 3.11Å; A361-V364 PolarHBondContact O-N 2.83Å; V364-E367 PolarHBondContact O-N 3.24Å; V364-F368 WeakPolarHBondContact O-CB 3.31Å; V364-F368 PolarHBondContact O-N 2.72Å; V364-F464 HydrophobicContact CG1-CD1 4.01Å; V364-F464 HydrophobicContact CG1-CE1 3.65Å; V364-F561 HydrophobicContact CG1-CE2 3.95Å |
| 365 | E | 94.7 | Very high | 82.1 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 178.5 | -168.8 | 176.9 | -175.8 | 0 | 0 | 113 | F8 K10 A361 E363 W369 Y491 F561 | F8-E365 HydrophobicContact CE1-CG 3.63Å; F8-E365 HydrophobicContact CZ-CG 3.84Å; F8-E365 WeakPolarHBondContact CZ-OE1 3.44Å; K10-E365 WeakPolarHBondContact CD-OE2 3.21Å; K10-E365 WeakPolarHBondContact CE-OE2 3.01Å; K10-E365 IonicContact NZ-OE2 3.2Å; K10-E365 PolarHBondContact NZ-OE2 2.98Å; A361-E365 WeakPolarHBondContact O-CB 3.42Å; A361-E365 PolarHBondContact O-N 3.09Å; E363-E365 VanDerWaalsContact C-N 3.32Å; E363-E365 PolarHBondContact O-N 2.93Å; E365-W369 PolarHBondContact O-N 3.34Å; E365-Y491 PolarHBondContact OE1-OH 3.07Å; E365-F561 HydrophobicContact CB-CE1 4.34Å; E365-F561 HydrophobicContact CB-CZ 3.83Å; E365-F561 HydrophobicContact CG-CE1 3.96Å; E365-F561 HydrophobicContact CG-CZ 3.98Å |
| 366 | K | 91.7 | Very high | 83.7 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 50% | 0.504 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 174.8 | -71.6 | 163 | -161.6 | 148.6 | 0 | 111.5 | F8 D362 E363 W369 R370 | F8-K366 HydrophobicContact CD1-CG 4.25Å; D362-K366 WeakPolarHBondContact O-CD 3.46Å; D362-K366 VanDerWaalsContact O-CE 3.26Å; D362-K366 WeakPolarHBondContact O-CE 3.48Å; D362-K366 WeakPolarHBondContact O-CG 3.23Å; D362-K366 PolarHBondContact O-N 3.17Å; D362-K366 PolarHBondContact O-NZ 2.93Å; E363-K366 PolarHBondContact O-N 3.48Å; K366-W369 PolarHBondContact O-N 3.29Å; K366-R370 PolarHBondContact O-N 2.69Å |
| 367 | E | 92.1 | Very high | 85.1 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 179.3 | 177.1 | 58.8 | -172.8 | 0 | 0 | 111.4 | H347 F348 E363 V364 W369 R370 L371 F464 | H347-E367 IonicContact CD2-OE1 3.66Å; H347-E367 IonicContact CE1-OE1 2.69Å; H347-E367 IonicContact NE2-OE1 3.58Å; H347-E367 PolarHBondContact NE2-OE1 3.28Å; F348-E367 HydrophobicContact CE1-CB 4.14Å; F348-E367 HydrophobicContact CE1-CG 4.08Å; F348-E367 HydrophobicContact CZ-CB 4.31Å; F348-E367 HydrophobicContact CZ-CG 4.15Å; E363-E367 WeakPolarHBondContact O-CB 3.46Å; E363-E367 PolarHBondContact O-N 3.43Å; V364-E367 PolarHBondContact O-N 3.24Å; E367-W369 PolarHBondContact O-N 3.4Å; E367-R370 WeakPolarHBondContact O-CB 3.46Å; E367-R370 PolarHBondContact O-N 2.87Å; E367-R370 VanDerWaalsContact O-N 3.12Å; E367-R370 IonicContact OE1-CZ 3.42Å; E367-R370 IonicContact OE1-NE 2.71Å; E367-R370 IonicContact OE1-NH2 3.29Å; E367-R370 PolarHBondContact OE1-NH2 2.79Å; E367-R370 IonicContact OE2-CZ 2.75Å; E367-R370 IonicContact OE2-NE 3.47Å; E367-R370 PolarHBondContact OE2-NE 3.13Å; E367-R370 IonicContact OE2-NH2 3.91Å; E367-R370 PolarHBondContact OE2-NH2 3.36Å; E367-L371 HydrophobicContact CG-CD1 4.19Å; E367-L371 HydrophobicContact CG-CG 4.44Å; E367-L371 WeakPolarHBondContact O-CG 3.31Å; E367-L371 PolarHBondContact O-N 3.12Å; E367-F464 HydrophobicContact CB-CE1 4.4Å; E367-F464 HydrophobicContact CB-CZ 4.4Å; E367-F464 HydrophobicContact CG-CE1 4.15Å; E367-F464 HydrophobicContact CG-CZ 3.71Å |
| 368 | F | 94.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -51.4 | -52.8 | 174 | 173.7 | -108.9 | 0 | 0 | 0 | 112 | L72 V364 R370 L371 V372 F464 T466 L526 F561 | L72-F368 HydrophobicContact CD2-CE2 4.29Å; V364-F368 WeakPolarHBondContact O-CB 3.31Å; V364-F368 PolarHBondContact O-N 2.72Å; F368-R370 VanDerWaalsContact C-N 3.34Å; F368-R370 PolarHBondContact O-N 2.73Å; F368-L371 PolarHBondContact O-N 2.68Å; F368-V372 HydrophobicContact CD2-CG2 4.21Å; F368-V372 HydrophobicContact CE1-CG2 4.16Å; F368-V372 HydrophobicContact CE2-CG2 3.69Å; F368-V372 HydrophobicContact CZ-CG2 3.68Å; F368-V372 WeakPolarHBondContact O-CG2 3.28Å; F368-V372 PolarHBondContact O-N 3.32Å; F368-F464 HydrophobicContact CB-CD1 3.89Å; F368-F464 HydrophobicContact CB-CE1 4.2Å; F368-F464 HydrophobicContact CD2-CB 4Å; F368-F464 HydrophobicContact CD2-CD1 4.03Å; F368-F464 HydrophobicContact CD2-CG 4.39Å; F368-F464 HydrophobicContact CG-CD1 4.45Å; F368-T466 WeakPolarHBondContact CE2-OG1 3.26Å; F368-T466 HydrophobicContact CZ-CG2 4.12Å; F368-T466 VanDerWaalsContact CZ-OG1 3.28Å; F368-T466 WeakPolarHBondContact CZ-OG1 3.4Å; F368-L526 HydrophobicContact CE1-CD2 4.14Å; F368-L526 HydrophobicContact CZ-CD2 3.8Å; F368-F561 HydrophobicContact CB-CD2 4.4Å; F368-F561 HydrophobicContact CB-CE2 4.33Å; F368-F561 HydrophobicContact CB-CZ 4.43Å; F368-F561 HydrophobicContact CD1-CB 4.45Å; F368-F561 AromaticContact CD1-CD1 3.55Å; F368-F561 HydrophobicContact CD1-CD1 3.55Å; F368-F561 AromaticContact CD1-CE1 3.93Å; F368-F561 HydrophobicContact CD1-CE1 3.93Å; F368-F561 AromaticContact CD1-CG 3.89Å; F368-F561 HydrophobicContact CD1-CG 3.89Å; F368-F561 HydrophobicContact CD2-CB 4.21Å; F368-F561 HydrophobicContact CD2-CD2 4.28Å; F368-F561 HydrophobicContact CD2-CG 4.07Å; F368-F561 HydrophobicContact CE1-CB 4.14Å; F368-F561 AromaticContact CE1-CD1 3.72Å; F368-F561 HydrophobicContact CE1-CD1 3.72Å; F368-F561 HydrophobicContact CE1-CE1 4.49Å; F368-F561 HydrophobicContact CE1-CG 4.03Å; F368-F561 HydrophobicContact CE2-CB 3.89Å; F368-F561 HydrophobicContact CE2-CG 4.21Å; F368-F561 HydrophobicContact CG-CB 4.47Å; F368-F561 AromaticContact CG-CD1 4Å; F368-F561 HydrophobicContact CG-CD1 4Å; F368-F561 HydrophobicContact CG-CD2 4.12Å; F368-F561 HydrophobicContact CG-CE1 4.33Å; F368-F561 HydrophobicContact CG-CE2 4.47Å; F368-F561 AromaticContact CG-CG 3.9Å; F368-F561 HydrophobicContact CG-CG 3.9Å; F368-F561 HydrophobicContact CZ-CB 3.84Å; F368-F561 HydrophobicContact CZ-CD1 4.3Å; F368-F561 HydrophobicContact CZ-CG 4.18Å |
| 369 | W | 93.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.5 | -31.4 | 179.1 | -74.2 | 116.7 | 0 | 0 | 0 | 113.4 | F8 E365 K366 E367 L371 V372 C373 Y491 L526 N528 P529 | F8-W369 HydrophobicContact CB-CB 3.97Å; F8-W369 HydrophobicContact CB-CG 4.37Å; F8-W369 AromaticContact CD1-CD1 3.91Å; F8-W369 HydrophobicContact CD2-CB 4.2Å; F8-W369 AromaticContact CD2-CD1 3.2Å; F8-W369 HydrophobicContact CD2-CD2 4.4Å; F8-W369 AromaticContact CD2-CG 3.68Å; F8-W369 HydrophobicContact CD2-CG 3.68Å; F8-W369 AromaticContact CD2-NE1 3.65Å; F8-W369 AromaticContact CE1-CD1 3.95Å; F8-W369 AromaticContact CE2-CD1 3.26Å; F8-W369 HydrophobicContact CE2-CG 4.12Å; F8-W369 AromaticContact CE2-NE1 3.25Å; F8-W369 VanDerWaalsContact CE2-NE1 3.25Å; F8-W369 HydrophobicContact CG-CB 4.1Å; F8-W369 AromaticContact CG-CD1 3.54Å; F8-W369 AromaticContact CG-CG 4Å; F8-W369 HydrophobicContact CG-CG 4Å; F8-W369 AromaticContact CZ-CD1 3.63Å; F8-W369 AromaticContact CZ-NE1 3.68Å; E365-W369 PolarHBondContact O-N 3.34Å; K366-W369 PolarHBondContact O-N 3.29Å; E367-W369 PolarHBondContact O-N 3.4Å; W369-L371 VanDerWaalsContact C-N 3.32Å; W369-V372 HydrophobicContact CE3-CB 4.16Å; W369-V372 HydrophobicContact CE3-CG1 4.09Å; W369-V372 HydrophobicContact CZ3-CB 4.45Å; W369-V372 HydrophobicContact CZ3-CG1 3.95Å; W369-C373 VanDerWaalsContact O-CB 3.24Å; W369-C373 WeakPolarHBondContact O-CB 3.41Å; W369-C373 PolarHBondContact O-N 2.92Å; W369-Y491 HydrophobicContact CZ2-CD2 4.24Å; W369-Y491 AromaticContact CZ2-CE2 3.61Å; W369-Y491 HydrophobicContact CZ2-CE2 3.61Å; W369-Y491 AromaticContact CZ2-CZ 3.86Å; W369-Y491 AromaticContact NE1-CZ 3.55Å; W369-Y491 PolarHBondContact NE1-OH 2.61Å; W369-L526 HydrophobicContact CH2-CD1 3.78Å; W369-L526 HydrophobicContact CH2-CD2 3.7Å; W369-L526 HydrophobicContact CH2-CG 3.64Å; W369-L526 HydrophobicContact CZ3-CD1 4.42Å; W369-L526 HydrophobicContact CZ3-CD2 3.7Å; W369-L526 HydrophobicContact CZ3-CG 3.77Å; W369-N528 HydrophobicContact CD2-CB 4.42Å; W369-N528 HydrophobicContact CE3-CB 3.82Å; W369-N528 VanDerWaalsContact CZ3-CA 3.43Å; W369-N528 HydrophobicContact CZ3-CB 4.01Å; W369-P529 VanDerWaalsContact CH2-CD 3.46Å; W369-P529 HydrophobicContact CH2-CG 4.43Å; W369-P529 HydrophobicContact CZ2-CG 3.85Å |
| 370 | R | 91 | Very high | 87.5 | Confident | 109 Ų | 109 | 49.8 Ų | 49.8 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 171.7 | -166.5 | -165.9 | 67.1 | 80 | -0.3 | 111.7 | K366 E367 F368 N374 | K366-R370 PolarHBondContact O-N 2.69Å; E367-R370 WeakPolarHBondContact O-CB 3.46Å; E367-R370 PolarHBondContact O-N 2.87Å; E367-R370 VanDerWaalsContact O-N 3.12Å; E367-R370 IonicContact OE1-CZ 3.42Å; E367-R370 IonicContact OE1-NE 2.71Å; E367-R370 IonicContact OE1-NH2 3.29Å; E367-R370 PolarHBondContact OE1-NH2 2.79Å; E367-R370 IonicContact OE2-CZ 2.75Å; E367-R370 IonicContact OE2-NE 3.47Å; E367-R370 PolarHBondContact OE2-NE 3.13Å; E367-R370 IonicContact OE2-NH2 3.91Å; E367-R370 PolarHBondContact OE2-NH2 3.36Å; F368-R370 VanDerWaalsContact C-N 3.34Å; F368-R370 PolarHBondContact O-N 2.73Å; R370-N374 WeakPolarHBondContact O-CB 3.28Å; R370-N374 PolarHBondContact O-N 3.29Å |
| 371 | L | 91.4 | Very high | 87.7 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.4 | -47.6 | 177.4 | -66.5 | 174.2 | 0 | 0 | 0 | 112 | L72 E367 F368 W369 C373 N374 V379 F464 | L72-L371 HydrophobicContact CD1-CB 4.01Å; L72-L371 HydrophobicContact CD1-CD1 3.94Å; E367-L371 HydrophobicContact CG-CD1 4.19Å; E367-L371 HydrophobicContact CG-CG 4.44Å; E367-L371 WeakPolarHBondContact O-CG 3.31Å; E367-L371 PolarHBondContact O-N 3.12Å; F368-L371 PolarHBondContact O-N 2.68Å; W369-L371 VanDerWaalsContact C-N 3.32Å; L371-C373 VanDerWaalsContact C-N 3.28Å; L371-C373 PolarHBondContact O-N 2.88Å; L371-N374 PolarHBondContact O-N 3.21Å; L371-V379 HydrophobicContact CD1-CG1 4.34Å; L371-V379 HydrophobicContact CD1-CG2 4.37Å; L371-V379 HydrophobicContact CD2-CB 4.5Å; L371-V379 HydrophobicContact CD2-CG2 3.79Å; L371-F464 HydrophobicContact CD1-CD2 3.96Å; L371-F464 HydrophobicContact CD1-CE1 4.44Å; L371-F464 HydrophobicContact CD1-CE2 3.66Å; L371-F464 HydrophobicContact CD1-CG 4.48Å; L371-F464 HydrophobicContact CD1-CZ 3.92Å |
| 372 | V | 90.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -32.6 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | L72 N76 I79 F368 W369 L526 | L72-V372 HydrophobicContact CB-CG2 4.28Å; N76-V372 HydrophobicContact CB-CG1 4.15Å; N76-V372 WeakPolarHBondContact CB-O 3.4Å; N76-V372 PolarHBondContact ND2-O 3.32Å; I79-V372 WeakPolarHBondContact CD1-O 3.48Å; F368-V372 HydrophobicContact CD2-CG2 4.21Å; F368-V372 HydrophobicContact CE1-CG2 4.16Å; F368-V372 HydrophobicContact CE2-CG2 3.69Å; F368-V372 HydrophobicContact CZ-CG2 3.68Å; F368-V372 WeakPolarHBondContact O-CG2 3.28Å; F368-V372 PolarHBondContact O-N 3.32Å; W369-V372 HydrophobicContact CE3-CB 4.16Å; W369-V372 HydrophobicContact CE3-CG1 4.09Å; W369-V372 HydrophobicContact CZ3-CB 4.45Å; W369-V372 HydrophobicContact CZ3-CG1 3.95Å; V372-L526 HydrophobicContact CG1-CD2 3.98Å; V372-L526 HydrophobicContact CG2-CD2 4.18Å |
| 373 | C | 86.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 4.2 | 178.2 | -71 | 0 | 0 | 0 | 0 | 114.7 | Q5 L6 W369 L371 P375 | Q5-C373 WeakPolarHBondContact O-CB 3.47Å; Q5-C373 PolarHBondContact O-SG 2.98Å; L6-C373 HydrophobicContact CD2-CB 4.21Å; W369-C373 VanDerWaalsContact O-CB 3.24Å; W369-C373 WeakPolarHBondContact O-CB 3.41Å; W369-C373 PolarHBondContact O-N 2.92Å; L371-C373 VanDerWaalsContact C-N 3.28Å; L371-C373 PolarHBondContact O-N 2.88Å; C373-P375 WeakPolarHBondContact O-CD 3.08Å |
| 374 | N | 82.5 | Confident | 87.6 | Confident | 44 Ų | 44 | 40.4 Ų | 40.4 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | trans | -94.3 | 107.3 | 177.5 | 178.9 | 17.1 | 0 | 0 | 0 | 111.4 | N73 R370 L371 N376 G377 | N73-N374 WeakPolarHBondContact CB-O 3.44Å; R370-N374 WeakPolarHBondContact O-CB 3.28Å; R370-N374 PolarHBondContact O-N 3.29Å; L371-N374 PolarHBondContact O-N 3.21Å; N374-N376 PolarHBondContact O-N 3.47Å; N374-N376 PolarHBondContact OD1-N 2.97Å; N374-N376 VanDerWaalsContact OD1-N 3.08Å; N374-G377 PolarHBondContact ND2-N 3.33Å; N374-G377 PolarHBondContact O-N 3.3Å | ||
| 375 | P | 71.7 | Confident | 87.2 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 47% | 0.468 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -33.1 | 177 | 25 | -33.8 | 0 | 0 | 0 | 112.7 | N73 I79 C373 G377 | N73-P375 PolarHBondContact ND2-O 3.41Å; I79-P375 HydrophobicContact CD1-CB 4.38Å; C373-P375 WeakPolarHBondContact O-CD 3.08Å; P375-G377 PolarHBondContact O-N 2.91Å |
| 376 | N | 73.9 | Confident | 86.4 | Confident | 143 Ų | 143 | 42.6 Ų | 42.6 | 77% | 0.765 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 19.9 | 176.8 | -57.1 | -57.7 | 0 | 0 | 0 | 112.7 | N374 | N374-N376 PolarHBondContact O-N 3.47Å; N374-N376 PolarHBondContact OD1-N 2.97Å; N374-N376 VanDerWaalsContact OD1-N 3.08Å |
| 377 | G | 73 | Confident | 85.9 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | trans | -71.6 | 142.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N73 N374 P375 | N73-G377 PolarHBondContact ND2-O 3.47Å; N73-G377 PolarHBondContact OD1-O 3.39Å; N374-G377 PolarHBondContact ND2-N 3.33Å; N374-G377 PolarHBondContact O-N 3.3Å; P375-G377 PolarHBondContact O-N 2.91Å | ||
| 378 | N | 79 | Confident | 85.3 | Confident | 136 Ų | 136 | 37.2 Ų | 37.2 | 73% | 0.727 | 20% | 0.196 | S | C | * | . | trans | -131.2 | 16.1 | 172.8 | 68.1 | -20.8 | 0 | 0 | 0 | 112.6 | I380 | N378-I380 PolarHBondContact O-N 3.47Š| ||
| 379 | V | 88.9 | Confident | 84.6 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | trans | -74.9 | 115.3 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | L72 F343 L371 V381 | L72-V379 HydrophobicContact CD1-CB 4.26Å; L72-V379 HydrophobicContact CD1-CG1 3.79Å; L72-V379 HydrophobicContact CG-CG1 4.44Å; L72-V379 PolarHBondContact N-O 3.07Å; F343-V379 HydrophobicContact CE2-CG1 4.28Å; F343-V379 HydrophobicContact CZ-CG1 3.93Å; L371-V379 HydrophobicContact CD1-CG1 4.34Å; L371-V379 HydrophobicContact CD1-CG2 4.37Å; L371-V379 HydrophobicContact CD2-CB 4.5Å; L371-V379 HydrophobicContact CD2-CG2 3.79Å; V379-V381 HydrophobicContact CG1-CG1 4.02Å | ||
| 380 | I | 89.3 | Confident | 83.7 | Confident | 89 Ų | 89 | 41 Ų | 41 | 46% | 0.456 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130 | 172.5 | -56.6 | 173.7 | 0 | 0 | 0 | 107.2 | L69 Q70 K71 N378 | L69-I380 HydrophobicContact CB-CG2 4.02Å; Q70-I380 WeakPolarHBondContact O-CA 3.3Å; K71-I380 HydrophobicContact CB-CG1 4.06Å; K71-I380 HydrophobicContact CD-CG1 4.3Å; K71-I380 HydrophobicContact CG-CG1 4.14Å; N378-I380 PolarHBondContact O-N 3.47Å |
| 381 | V | 92.4 | Very high | 82.9 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 167.7 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | Q70 L72 F343 V379 F464 | Q70-V381 HydrophobicContact CB-CG2 4.04Å; Q70-V381 PolarHBondContact N-O 2.87Å; Q70-V381 PolarHBondContact O-N 3.32Å; L72-V381 HydrophobicContact CD1-CG1 4.35Å; L72-V381 HydrophobicContact CD2-CG2 3.81Å; L72-V381 HydrophobicContact CG-CG2 4.37Å; F343-V381 HydrophobicContact CE1-CG1 4.08Å; F343-V381 HydrophobicContact CE2-CG1 4.48Å; F343-V381 HydrophobicContact CZ-CG1 3.83Å; V379-V381 HydrophobicContact CG1-CG1 4.02Å; V381-F464 HydrophobicContact CG1-CB 4.15Å; V381-F464 HydrophobicContact CG1-CD2 4.36Å |
| 382 | K | 91.6 | Very high | 82.1 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.4 | -171.7 | -60.8 | -167.6 | 177.1 | -179 | 0 | 110.6 | P67 R68 L69 D327 Y331 F336 E339 S462 | P67-K382 HydrophobicContact CB-CB 4.01Å; P67-K382 HydrophobicContact CG-CB 4.25Å; P67-K382 HydrophobicContact CG-CD 4.18Å; R68-K382 CarbonylContact O-C 3.54Å; R68-K382 WeakPolarHBondContact O-CA 3.32Å; L69-K382 HydrophobicContact CD2-CD 4.24Å; L69-K382 HydrophobicContact CD2-CG 3.9Å; D327-K382 WeakPolarHBondContact OD2-CE 3.49Å; D327-K382 IonicContact OD2-NZ 2.79Å; D327-K382 PolarHBondContact OD2-NZ 2.82Å; Y331-K382 PolarHBondContact OH-NZ 3Å; F336-K382 HydrophobicContact CE2-CB 3.67Å; F336-K382 HydrophobicContact CE2-CD 4.46Å; F336-K382 HydrophobicContact CZ-CB 4Å; E339-K382 WeakPolarHBondContact OE1-CD 3.33Å; E339-K382 WeakPolarHBondContact OE1-CE 3.49Å; E339-K382 IonicContact OE1-NZ 2.67Å; E339-K382 PolarHBondContact OE1-NZ 3.03Å; E339-K382 IonicContact OE2-NZ 3.79Å; K382-S462 VanDerWaalsContact O-CB 3.24Å; K382-S462 WeakPolarHBondContact O-CB 3.15Å; K382-S462 PolarHBondContact O-OG 2.9Å |
| 383 | Y | 91 | Very high | 81.6 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 118.3 | -177.1 | -171.3 | -150.2 | 0 | 0 | 0 | 111.3 | R68 A385 H459 I460 T466 | R68-Y383 WeakPolarHBondContact CB-O 3.49Å; R68-Y383 PolarHBondContact N-O 3.33Å; R68-Y383 PolarHBondContact O-N 3.47Å; Y383-A385 HydrophobicContact CD1-CB 3.82Å; Y383-A385 HydrophobicContact CE1-CB 3.66Å; Y383-A385 HydrophobicContact CG-CB 4.33Å; Y383-A385 PolarHBondContact O-N 2.9Å; Y383-H459 HydrophobicContact CE2-CB 4.2Å; Y383-H459 PolarHBondContact OH-CD2 3.21Å; Y383-I460 VanDerWaalsContact CD2-O 3.31Å; Y383-I460 WeakPolarHBondContact CD2-O 3.38Å; Y383-T466 WeakPolarHBondContact CE1-O 3.29Å |
| 384 | A | 87.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 93.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | F65 L387 H459 I460 | F65-A384 HydrophobicContact CD2-CB 3.31Å; F65-A384 HydrophobicContact CE2-CB 3.56Å; F65-A384 HydrophobicContact CG-CB 4.08Å; F65-A384 HydrophobicContact CZ-CB 4.48Å; A384-L387 HydrophobicContact CB-CD1 4.02Å; A384-L387 HydrophobicContact CB-CG 4.47Å; A384-H459 CarbonylContact O-C 3.59Å; A384-H459 WeakPolarHBondContact O-CA 3.35Å; A384-I460 HydrophobicContact CB-CB 4.05Å; A384-I460 HydrophobicContact CB-CG1 4.37Å; A384-I460 PolarHBondContact N-O 2.87Å; A384-I460 VanDerWaalsContact N-O 3.14Å; A384-I460 PolarHBondContact O-N 3.47Å |
| 385 | A | 83.8 | Confident | 81.5 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 149.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R68 Y383 L387 | R68-A385 PolarHBondContact NH2-O 3.43Å; Y383-A385 HydrophobicContact CD1-CB 3.82Å; Y383-A385 HydrophobicContact CE1-CB 3.66Å; Y383-A385 HydrophobicContact CG-CB 4.33Å; Y383-A385 PolarHBondContact O-N 2.9Å; A385-L387 VanDerWaalsContact C-N 3.28Å; A385-L387 PolarHBondContact O-N 2.89Å |
| 386 | D | 77.5 | Confident | 82.2 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.214 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.2 | 38.2 | 171.1 | -31.4 | -44.8 | 0 | 0 | 0 | 113.2 | R68 S388 R452 H459 | R68-D386 IonicContact CZ-OD2 3.49Å; R68-D386 IonicContact NH1-OD2 2.66Å; R68-D386 PolarHBondContact NH1-OD2 3.33Å; R68-D386 IonicContact NH2-OD2 2.81Å; R68-D386 PolarHBondContact NH2-OD2 3.49Å; D386-S388 PolarHBondContact O-N 3.42Å; D386-R452 IonicContact OD2-CZ 2.73Å; D386-R452 IonicContact OD2-NH1 2.76Å; D386-H459 PolarHBondContact N-CD2 3.41Å; D386-H459 PolarHBondContact N-NE2 3.12Å; D386-H459 IonicContact OD1-CD2 3.19Å; D386-H459 IonicContact OD1-CE1 3.23Å; D386-H459 IonicContact OD1-NE2 3.4Å; D386-H459 PolarHBondContact OD1-NE2 3.36Å |
| 387 | L | 82.2 | Confident | 82.6 | Confident | 25 Ų | 25 | 31.8 Ų | 31.8 | 13% | 0.131 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 113.1 | 174.4 | -55.8 | 179.5 | 0 | 0 | 0 | 108.4 | L63 F65 A384 A385 T389 V392 S457 M458 I460 | L63-L387 HydrophobicContact CD2-CD1 4.41Å; F65-L387 HydrophobicContact CB-CD1 4.22Å; F65-L387 HydrophobicContact CB-CD2 4.38Å; F65-L387 HydrophobicContact CG-CD1 4.48Å; A384-L387 HydrophobicContact CB-CD1 4.02Å; A384-L387 HydrophobicContact CB-CG 4.47Å; A385-L387 VanDerWaalsContact C-N 3.28Å; A385-L387 PolarHBondContact O-N 2.89Å; L387-T389 PolarHBondContact O-N 3.11Å; L387-V392 HydrophobicContact CB-CB 4.46Å; L387-V392 HydrophobicContact CB-CG1 3.93Å; L387-V392 HydrophobicContact CB-CG2 3.74Å; L387-S457 WeakPolarHBondContact O-CA 3.39Å; L387-M458 HydrophobicContact CB-CB 4.45Å; L387-M458 WeakPolarHBondContact CB-O 3.22Å; L387-M458 PolarHBondContact N-O 2.87Å; L387-M458 VanDerWaalsContact N-O 3.09Å; L387-M458 PolarHBondContact O-N 3.3Å; L387-I460 HydrophobicContact CD1-CG1 4.2Å |
| 388 | S | 77.8 | Confident | 82.9 | Confident | 11 Ų | 11 | 34 Ų | 34 | 8% | 0.077 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 124.4 | -178.2 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | D386 S390 E391 V392 | D386-S388 PolarHBondContact O-N 3.42Å; S388-S390 PolarHBondContact O-N 3.37Å; S388-S390 VanDerWaalsContact O-N 3.07Å; S388-S390 PolarHBondContact OG-OG 2.91Å; S388-E391 WeakPolarHBondContact O-CA 3.5Å; S388-E391 WeakPolarHBondContact O-CB 3.27Å; S388-E391 PolarHBondContact O-N 2.83Å; S388-V392 WeakPolarHBondContact O-CG2 3.37Å; S388-V392 PolarHBondContact O-N 2.86Å |
| 389 | T | 80.9 | Confident | 82.7 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -14.4 | -179.1 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | L387 G393 P456 M458 E569 | L387-T389 PolarHBondContact O-N 3.11Å; T389-G393 CarbonylContact O-C 3.57Å; T389-G393 WeakPolarHBondContact O-CA 3.48Å; T389-G393 PolarHBondContact O-N 3.13Å; T389-P456 WeakPolarHBondContact CB-O 3.42Å; T389-P456 HydrophobicContact CG2-CB 4.18Å; T389-P456 WeakPolarHBondContact CG2-O 3.42Å; T389-P456 PolarHBondContact N-O 3.26Å; T389-P456 VanDerWaalsContact N-O 3.09Å; T389-P456 PolarHBondContact OG1-O 3.31Å; T389-M458 HydrophobicContact CG2-CB 4.23Å; T389-E569 HydrophobicContact CG2-CG 4.28Å |
| 390 | S | 75.5 | Confident | 82 | Confident | 76 Ų | 76 | 40.5 Ų | 40.5 | 53% | 0.531 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.8 | -24.2 | 166.4 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | S388 | S388-S390 PolarHBondContact O-N 3.37Å; S388-S390 VanDerWaalsContact O-N 3.07Å; S388-S390 PolarHBondContact OG-OG 2.91Å |
| 391 | E | 73.1 | Confident | 81.1 | Confident | 142 Ų | 142 | 37.8 Ų | 37.8 | 66% | 0.664 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -94.8 | -37.7 | 174.9 | -62.6 | -173.4 | 160.1 | 0 | 0 | 112.3 | S388 | S388-E391 WeakPolarHBondContact O-CA 3.5Å; S388-E391 WeakPolarHBondContact O-CB 3.27Å; S388-E391 PolarHBondContact O-N 2.83Å |
| 392 | V | 75.9 | Confident | 79.7 | Confident | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -108.8 | -8.4 | -170 | -56.6 | 0 | 0 | 0 | 0 | 115.3 | L63 L387 S388 M458 | L63-V392 HydrophobicContact CD1-CB 3.49Å; L63-V392 VanDerWaalsContact CD1-CB 3.49Å; L63-V392 HydrophobicContact CD1-CG1 3.66Å; L63-V392 HydrophobicContact CD2-CB 3.82Å; L63-V392 HydrophobicContact CD2-CG1 4.31Å; L63-V392 HydrophobicContact CD2-CG2 4.4Å; L63-V392 HydrophobicContact CG-CB 4.3Å; L387-V392 HydrophobicContact CB-CB 4.46Å; L387-V392 HydrophobicContact CB-CG1 3.93Å; L387-V392 HydrophobicContact CB-CG2 3.74Å; S388-V392 WeakPolarHBondContact O-CG2 3.37Å; S388-V392 PolarHBondContact O-N 2.86Å; V392-M458 HydrophobicContact CB-CE 4.39Å; V392-M458 HydrophobicContact CG2-CB 4.3Å; V392-M458 HydrophobicContact CG2-CE 3.72Å |
| 393 | G | 78.7 | Confident | 78.4 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | trans | 81.5 | 142.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T389 M458 | T389-G393 CarbonylContact O-C 3.57Å; T389-G393 WeakPolarHBondContact O-CA 3.48Å; T389-G393 PolarHBondContact O-N 3.13Å; G393-M458 WeakPolarHBondContact O-CE 3.4Å | ||
| 394 | S | 85.4 | Confident | 77 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -67.9 | 153.1 | 167.9 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | N60 F396 N433 E569 | N60-S394 PolarHBondContact ND2-O 2.89Å; S394-F396 VanDerWaalsContact C-N 3.31Å; S394-F396 PolarHBondContact OG-N 2.72Å; S394-F396 VanDerWaalsContact OG-N 3.09Å; S394-N433 PolarHBondContact OG-ND2 2.8Å; S394-E569 WeakPolarHBondContact CB-OE1 3.31Å; S394-E569 PolarHBondContact OG-OE1 3.1Å; S394-E569 PolarHBondContact OG-OE2 2.6Å; S394-E569 VanDerWaalsContact OG-OE2 3.07Å | ||
| 395 | G | 82.4 | Confident | 75.9 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -72.7 | -28.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P56 R57 E569 | P56-G395 WeakPolarHBondContact CA-O 3.39Å; R57-G395 PolarHBondContact N-O 3.18Å; G395-E569 WeakPolarHBondContact CA-OE2 3.37Å; G395-E569 PolarHBondContact N-OE2 2.73Å |
| 396 | F | 87.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -74.8 | 149.1 | 172.3 | -67.9 | -85.4 | 0 | 0 | 0 | 111.8 | W52 P54 S394 N431 L432 Y481 H483 E569 | W52-F396 HydrophobicContact CZ2-CE1 4.19Å; P54-F396 HydrophobicContact CB-CD1 4.16Å; P54-F396 HydrophobicContact CB-CE1 4.3Å; P54-F396 HydrophobicContact CG-CD1 4.31Å; P54-F396 HydrophobicContact CG-CE1 3.95Å; S394-F396 VanDerWaalsContact C-N 3.31Å; S394-F396 PolarHBondContact OG-N 2.72Å; S394-F396 VanDerWaalsContact OG-N 3.09Å; F396-N431 WeakPolarHBondContact CB-OD1 3.12Å; F396-N431 HydrophobicContact CD1-CB 4.3Å; F396-L432 HydrophobicContact CD2-CB 4.49Å; F396-L432 HydrophobicContact CD2-CG 4.43Å; F396-L432 HydrophobicContact CE2-CB 4.19Å; F396-L432 HydrophobicContact CE2-CD1 4.05Å; F396-L432 HydrophobicContact CE2-CG 3.66Å; F396-L432 HydrophobicContact CZ-CG 4.22Å; F396-Y481 HydrophobicContact CE1-CD1 4.14Å; F396-Y481 HydrophobicContact CE1-CE1 4.18Å; F396-Y481 AromaticContact CE2-CD1 3.99Å; F396-Y481 HydrophobicContact CE2-CD1 3.99Å; F396-Y481 HydrophobicContact CE2-CG 4.35Å; F396-Y481 AromaticContact CZ-CD1 3.43Å; F396-Y481 HydrophobicContact CZ-CD1 3.43Å; F396-Y481 VanDerWaalsContact CZ-CD1 3.43Å; F396-Y481 HydrophobicContact CZ-CD2 4.42Å; F396-Y481 AromaticContact CZ-CE1 3.93Å; F396-Y481 HydrophobicContact CZ-CE1 3.93Å; F396-Y481 AromaticContact CZ-CG 3.7Å; F396-Y481 HydrophobicContact CZ-CG 3.7Å; F396-H483 AromaticContact CD2-CE1 3.44Å; F396-H483 VanDerWaalsContact CD2-CE1 3.44Å; F396-H483 WeakPolarHBondContact CD2-CE1 3.49Å; F396-H483 AromaticContact CD2-NE2 3.71Å; F396-H483 AromaticContact CE2-CE1 3.46Å; F396-H483 VanDerWaalsContact CE2-CE1 3.46Å; F396-H483 WeakPolarHBondContact CE2-CE1 3.43Å; F396-H483 AromaticContact CE2-NE2 3.64Å; F396-H483 AromaticContact CG-CE1 3.77Å; F396-H483 AromaticContact CZ-CE1 3.84Å; F396-H483 PolarHBondContact N-CE1 2.64Å; F396-E569 WeakPolarHBondContact CD2-OE2 3.49Å |
| 397 | P | 81.2 | Confident | 74.5 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.019 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -63 | 140.5 | 166 | 26.4 | -33.4 | 0 | 0 | 0 | 110.9 | D401 L421 A426 N431 | P397-D401 WeakPolarHBondContact CA-OD2 3.37Å; P397-L421 HydrophobicContact CB-CD2 4.32Å; P397-A426 HydrophobicContact CB-CB 4.29Å; P397-A426 HydrophobicContact CG-CB 4.48Å; P397-A426 WeakPolarHBondContact O-CA 3.49Å; P397-N431 PolarHBondContact O-ND2 3.06Å |
| 398 | Q | 79.2 | Confident | 73.6 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 172.9 | 170.2 | -61.1 | 167.4 | -41.2 | 0 | 0 | 109.4 | D400 D401 A426 N433 | Q398-D400 VanDerWaalsContact C-N 3.28Å; Q398-D400 PolarHBondContact O-N 2.93Å; Q398-D401 WeakPolarHBondContact CA-OD1 3.39Å; Q398-D401 VanDerWaalsContact CB-OD1 3.3Å; Q398-D401 WeakPolarHBondContact CB-OD1 3.12Å; Q398-D401 PolarHBondContact N-OD1 3.35Å; Q398-D401 PolarHBondContact N-OD2 3.07Å; Q398-A426 WeakPolarHBondContact O-CB 3.42Å; Q398-N433 PolarHBondContact NE2-OD1 3Å |
| 399 | R | 76.1 | Confident | 73 | Confident | 153 Ų | 153 | 59.6 Ų | 59.6 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -27.3 | -174.7 | -63.6 | -179.9 | -172.9 | -174.4 | 5.1 | 112.7 | ||
| 400 | D | 74.1 | Confident | 72.3 | Confident | 144 Ų | 144 | 63.9 Ų | 63.9 | 77% | 0.77 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 16.3 | -167.9 | -34.5 | -65.8 | 0 | 0 | 0 | 110.8 | Q398 | Q398-D400 VanDerWaalsContact C-N 3.28Å; Q398-D400 PolarHBondContact O-N 2.93Å |
| 401 | D | 68.7 | Low | 71.6 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 123.4 | 177.4 | -78.3 | 17 | 0 | 0 | 0 | 110.4 | R57 P397 Q398 | R57-D401 IonicContact CZ-OD1 3.21Å; R57-D401 IonicContact CZ-OD2 3.55Å; R57-D401 VanDerWaalsContact NE-CG 3.32Å; R57-D401 IonicContact NE-OD1 2.65Å; R57-D401 PolarHBondContact NE-OD1 2.93Å; R57-D401 VanDerWaalsContact NE-OD1 3.14Å; R57-D401 IonicContact NE-OD2 2.67Å; R57-D401 PolarHBondContact NE-OD2 3.09Å; R57-D401 VanDerWaalsContact NE-OD2 3.08Å; R57-D401 IonicContact NH2-OD1 2.8Å; R57-D401 PolarHBondContact NH2-OD1 3.31Å; P397-D401 WeakPolarHBondContact CA-OD2 3.37Å; Q398-D401 WeakPolarHBondContact CA-OD1 3.39Å; Q398-D401 VanDerWaalsContact CB-OD1 3.3Å; Q398-D401 WeakPolarHBondContact CB-OD1 3.12Å; Q398-D401 PolarHBondContact N-OD1 3.35Å; Q398-D401 PolarHBondContact N-OD2 3.07Å |
| 402 | P | 64.2 | Low | 71.1 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 59% | 0.591 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 146.5 | 173.1 | 27.5 | -34 | 0 | 0 | 0 | 110.1 | L404 | P402-L404 PolarHBondContact O-N 3.37Š|
| 403 | A | 63.9 | Low | 70.6 | Confident | 99 Ų | 99 | 59.3 Ų | 59.3 | 82% | 0.818 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 131.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T405 | A403-T405 PolarHBondContact O-N 2.74Š|
| 404 | L | 62.4 | Low | 69.8 | Low | 35 Ų | 35 | 62.4 Ų | 62.4 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.4 | -176.9 | -64.2 | 177.1 | 0 | 0 | 0 | 111.5 | A58 P402 Q408 L409 L421 | A58-L404 HydrophobicContact CB-CD2 3.72Å; P402-L404 PolarHBondContact O-N 3.37Å; L404-Q408 HydrophobicContact CB-CB 4.34Å; L404-Q408 HydrophobicContact CD2-CB 4.27Å; L404-L409 HydrophobicContact CB-CD1 4.47Å; L404-L421 HydrophobicContact CD1-CD1 4.15Å; L404-L421 HydrophobicContact CD1-CG 4.22Å; L404-L421 HydrophobicContact CD2-CD1 3.95Å; L404-L421 HydrophobicContact CG-CD1 4.11Å |
| 405 | T | 64.7 | Low | 68.4 | Low | 60 Ų | 60 | 67.1 Ų | 67.1 | 37% | 0.368 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 158.6 | 170 | 72.9 | 0 | 0 | 0 | 0 | 110.4 | A403 D407 Q408 L409 | A403-T405 PolarHBondContact O-N 2.74Å; T405-D407 PolarHBondContact O-N 2.96Å; T405-Q408 PolarHBondContact O-N 3.25Å; T405-Q408 VanDerWaalsContact O-N 3.13Å; T405-Q408 VanDerWaalsContact OG1-CG 3.3Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.44Å; T405-Q408 PolarHBondContact OG1-N 3.08Å; T405-L409 PolarHBondContact O-N 3.39Å |
| 406 | P | 65.5 | Low | 67.2 | Low | 98 Ų | 98 | 70 Ų | 70 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -53.2 | -40.9 | 176.2 | -27.9 | 36.4 | 0 | 0 | 0 | 113 | L409 V410 | P406-L409 WeakPolarHBondContact O-CB 3.06Å; P406-L409 PolarHBondContact O-N 3.5Å; P406-V410 WeakPolarHBondContact O-CG2 3.11Å; P406-V410 PolarHBondContact O-N 3.31Å |
| 407 | D | 65.1 | Low | 65.9 | Low | 122 Ų | 122 | 72.1 Ų | 72.1 | 65% | 0.652 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.7 | -38.6 | 179.9 | -50.5 | -44.1 | 0 | 0 | 0 | 112.2 | T405 L409 V410 L411 | T405-D407 PolarHBondContact O-N 2.96Å; D407-L409 VanDerWaalsContact C-N 3.32Å; D407-V410 PolarHBondContact O-N 2.96Å; D407-L411 WeakPolarHBondContact O-CB 3.34Å; D407-L411 PolarHBondContact O-N 3.03Å |
| 408 | Q | 63.5 | Low | 64.4 | Low | 32 Ų | 32 | 77 Ų | 77 | 15% | 0.15 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67 | -34.2 | 174.3 | -71.7 | 170.9 | -15.2 | 0 | 0 | 112.2 | A58 N59 L404 T405 L411 Q412 | A58-Q408 HydrophobicContact CB-CB 3.99Å; A58-Q408 HydrophobicContact CB-CG 4.45Å; N59-Q408 PolarHBondContact OD1-NE2 3.45Å; L404-Q408 HydrophobicContact CB-CB 4.34Å; L404-Q408 HydrophobicContact CD2-CB 4.27Å; T405-Q408 PolarHBondContact O-N 3.25Å; T405-Q408 VanDerWaalsContact O-N 3.13Å; T405-Q408 VanDerWaalsContact OG1-CG 3.3Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.44Å; T405-Q408 PolarHBondContact OG1-N 3.08Å; Q408-L411 PolarHBondContact O-N 3.14Å; Q408-Q412 PolarHBondContact O-N 3.37Å |
| 409 | L | 64.8 | Low | 63.2 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 31% | 0.314 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 176.2 | -134.5 | 153.6 | 0 | 0 | 0 | 110.7 | L404 T405 P406 D407 Q412 M413 | L404-L409 HydrophobicContact CB-CD1 4.47Å; T405-L409 PolarHBondContact O-N 3.39Å; P406-L409 WeakPolarHBondContact O-CB 3.06Å; P406-L409 PolarHBondContact O-N 3.5Å; D407-L409 VanDerWaalsContact C-N 3.32Å; L409-Q412 PolarHBondContact O-N 3.07Å; L409-M413 HydrophobicContact CD2-SD 4.34Å; L409-M413 VanDerWaalsContact O-CG 3.32Å; L409-M413 WeakPolarHBondContact O-CG 3.36Å; L409-M413 PolarHBondContact O-N 3.46Å |
| 410 | V | 66.8 | Low | 62.1 | Low | 97 Ų | 97 | 73.4 Ų | 73.4 | 59% | 0.588 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 171.3 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | P406 D407 M413 A414 | P406-V410 WeakPolarHBondContact O-CG2 3.11Å; P406-V410 PolarHBondContact O-N 3.31Å; D407-V410 PolarHBondContact O-N 2.96Å; V410-M413 PolarHBondContact O-N 2.97Å; V410-A414 PolarHBondContact O-N 2.76Å |
| 411 | L | 61.6 | Low | 61.3 | Low | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 173.5 | -87.1 | 163.7 | 0 | 0 | 0 | 111.9 | L61 D407 Q408 M413 A414 F415 | L61-L411 HydrophobicContact CD1-CB 3.92Å; L61-L411 HydrophobicContact CD1-CD2 4.32Å; D407-L411 WeakPolarHBondContact O-CB 3.34Å; D407-L411 PolarHBondContact O-N 3.03Å; Q408-L411 PolarHBondContact O-N 3.14Å; L411-M413 VanDerWaalsContact C-N 3.28Å; L411-M413 PolarHBondContact O-N 3.41Å; L411-A414 WeakPolarHBondContact O-CB 3.49Å; L411-A414 PolarHBondContact O-N 2.79Å; L411-A414 VanDerWaalsContact O-N 3.1Å; L411-F415 WeakPolarHBondContact O-CD2 3.46Å; L411-F415 PolarHBondContact O-N 3.24Å; L411-F415 VanDerWaalsContact O-N 3.14Å |
| 412 | Q | 62.9 | Low | 60.9 | Low | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.019 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.3 | -43.4 | 173.5 | -99.8 | -173.8 | -18.1 | 0 | 0 | 111.7 | P56 A58 Q408 L409 A414 F415 G416 F417 | P56-Q412 PolarHBondContact O-NE2 3.01Å; A58-Q412 HydrophobicContact CB-CG 4.13Å; Q408-Q412 PolarHBondContact O-N 3.37Å; L409-Q412 PolarHBondContact O-N 3.07Å; Q412-A414 VanDerWaalsContact C-N 3.33Å; Q412-A414 PolarHBondContact O-N 3.25Å; Q412-F415 CarbonylContact O-C 3.58Å; Q412-F415 PolarHBondContact O-N 3.33Å; Q412-F415 VanDerWaalsContact O-N 3.13Å; Q412-G416 PolarHBondContact O-N 3Å; Q412-F417 CarbonylContact C-O 3.52Å; Q412-F417 VanDerWaalsContact C-O 3.25Å; Q412-F417 HydrophobicContact CB-CB 4.05Å; Q412-F417 HydrophobicContact CG-CB 4.2Å; Q412-F417 WeakPolarHBondContact O-CB 3.31Å; Q412-F417 PolarHBondContact O-N 3.44Å |
| 413 | M | 65 | Low | 61.1 | Low | 101 Ų | 101 | 69 Ų | 69 | 50% | 0.498 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.1 | -34.3 | 176.5 | -67.7 | 177 | 75.1 | 0 | 0 | 113 | L409 V410 L411 F415 G416 F417 V418 | L409-M413 HydrophobicContact CD2-SD 4.34Å; L409-M413 VanDerWaalsContact O-CG 3.32Å; L409-M413 WeakPolarHBondContact O-CG 3.36Å; L409-M413 PolarHBondContact O-N 3.46Å; V410-M413 PolarHBondContact O-N 2.97Å; L411-M413 VanDerWaalsContact C-N 3.28Å; L411-M413 PolarHBondContact O-N 3.41Å; M413-F415 VanDerWaalsContact C-N 3.3Å; M413-F415 PolarHBondContact O-N 3.41Å; M413-G416 PolarHBondContact O-N 3.06Å; M413-F417 WeakPolarHBondContact CA-O 3.41Å; M413-F417 WeakPolarHBondContact CG-O 3.46Å; M413-F417 PolarHBondContact N-O 2.99Å; M413-V418 HydrophobicContact CG-CG2 4.43Å |
| 414 | A | 61.4 | Low | 61.8 | Low | 82 Ų | 82 | 70.4 Ų | 70.4 | 68% | 0.678 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.3 | -30.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V410 L411 Q412 G416 | V410-A414 PolarHBondContact O-N 2.76Å; L411-A414 WeakPolarHBondContact O-CB 3.49Å; L411-A414 PolarHBondContact O-N 2.79Å; L411-A414 VanDerWaalsContact O-N 3.1Å; Q412-A414 VanDerWaalsContact C-N 3.33Å; Q412-A414 PolarHBondContact O-N 3.25Å; A414-G416 VanDerWaalsContact C-N 3.3Å |
| 415 | F | 56.7 | Low | 62.9 | Low | 99 Ų | 99 | 69.3 Ų | 69.3 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.9 | 170 | -73.6 | -83.8 | 0 | 0 | 0 | 113.7 | L61 L411 Q412 M413 F417 | L61-F415 HydrophobicContact CD1-CD2 3.77Å; L61-F415 HydrophobicContact CD1-CE2 3.71Å; L61-F415 HydrophobicContact CD2-CD2 3.94Å; L61-F415 HydrophobicContact CD2-CE1 4.37Å; L61-F415 HydrophobicContact CD2-CE2 3.48Å; L61-F415 VanDerWaalsContact CD2-CE2 3.48Å; L61-F415 HydrophobicContact CD2-CZ 3.73Å; L61-F415 HydrophobicContact CG-CE2 4.22Å; L411-F415 WeakPolarHBondContact O-CD2 3.46Å; L411-F415 PolarHBondContact O-N 3.24Å; L411-F415 VanDerWaalsContact O-N 3.14Å; Q412-F415 CarbonylContact O-C 3.58Å; Q412-F415 PolarHBondContact O-N 3.33Å; Q412-F415 VanDerWaalsContact O-N 3.13Å; M413-F415 VanDerWaalsContact C-N 3.3Å; M413-F415 PolarHBondContact O-N 3.41Å; F415-F417 HydrophobicContact CB-CD2 3.83Å; F415-F417 HydrophobicContact CB-CE2 3.86Å |
| 416 | G | 56.3 | Low | 63.9 | Low | 61 Ų | 61 | 66.6 Ų | 66.6 | 63% | 0.629 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 8.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q412 M413 A414 | Q412-G416 PolarHBondContact O-N 3Å; M413-G416 PolarHBondContact O-N 3.06Å; A414-G416 VanDerWaalsContact C-N 3.3Å |
| 417 | F | 59.2 | Low | 64.8 | Low | 44 Ų | 44 | 70.5 Ų | 70.5 | 19% | 0.193 | 39% | 0.392 | C | S | . | . | trans | -98.7 | 127.6 | -178.1 | -57.2 | -67.3 | 0 | 0 | 0 | 111.6 | Q55 P56 Q412 M413 F415 | Q55-F417 HydrophobicContact CB-CD1 4.15Å; Q55-F417 HydrophobicContact CG-CB 4.46Å; Q55-F417 HydrophobicContact CG-CD1 3.65Å; Q55-F417 HydrophobicContact CG-CE1 4.25Å; Q55-F417 HydrophobicContact CG-CG 4.3Å; P56-F417 VanDerWaalsContact CD-CZ 3.49Å; P56-F417 HydrophobicContact CG-CD2 4.3Å; P56-F417 HydrophobicContact CG-CE2 3.6Å; P56-F417 HydrophobicContact CG-CZ 3.73Å; Q412-F417 CarbonylContact C-O 3.52Å; Q412-F417 VanDerWaalsContact C-O 3.25Å; Q412-F417 HydrophobicContact CB-CB 4.05Å; Q412-F417 HydrophobicContact CG-CB 4.2Å; Q412-F417 WeakPolarHBondContact O-CB 3.31Å; Q412-F417 PolarHBondContact O-N 3.44Å; M413-F417 WeakPolarHBondContact CA-O 3.41Å; M413-F417 WeakPolarHBondContact CG-O 3.46Å; M413-F417 PolarHBondContact N-O 2.99Å; F415-F417 HydrophobicContact CB-CD2 3.83Å; F415-F417 HydrophobicContact CB-CE2 3.86Å | ||
| 418 | V | 51.3 | Low | 66.1 | Low | 106 Ų | 106 | 65.4 Ų | 65.4 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | trans | -125.6 | 125.6 | -176.9 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | M413 | M413-V418 HydrophobicContact CG-CG2 4.43Š| ||
| 419 | G | 52.6 | Low | 67.5 | Low | 24 Ų | 24 | 66.6 Ų | 66.6 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 112.3 | 164.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 420 | P | 52.9 | Low | 68.9 | Low | 110 Ų | 110 | 63.8 Ų | 63.8 | 71% | 0.714 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -68.5 | 145.8 | 177.7 | 29 | -34.9 | 0 | 0 | 0 | 111.8 | P422 | P420-P422 VanDerWaalsContact O-CD 3.27Å; P420-P422 WeakPolarHBondContact O-CD 3.13Å; P420-P422 VanDerWaalsContact O-N 3.13Å |
| 421 | L | 57.8 | Low | 70.1 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | trans | -47.9 | 114.8 | -179.4 | -83.1 | 162.6 | 0 | 0 | 0 | 111.8 | P397 L404 L423 | P397-L421 HydrophobicContact CB-CD2 4.32Å; L404-L421 HydrophobicContact CD1-CD1 4.15Å; L404-L421 HydrophobicContact CD1-CG 4.22Å; L404-L421 HydrophobicContact CD2-CD1 3.95Å; L404-L421 HydrophobicContact CG-CD1 4.11Å; L421-L423 PolarHBondContact O-N 3.19Å | ||
| 422 | P | 61.3 | Low | 71.6 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 26% | 0.26 | 32% | 0.324 | S | S | . | . | trans | -71.7 | 104.1 | -172.4 | -21.6 | 34.1 | 0 | 0 | 0 | 112.3 | P420 K424 Y425 | P420-P422 VanDerWaalsContact O-CD 3.27Å; P420-P422 WeakPolarHBondContact O-CD 3.13Å; P420-P422 VanDerWaalsContact O-N 3.13Å; P422-K424 HydrophobicContact CB-CG 3.98Å; P422-K424 PolarHBondContact O-N 3.27Å; P422-Y425 HydrophobicContact CB-CD2 3.72Å; P422-Y425 HydrophobicContact CB-CE2 3.83Å; P422-Y425 HydrophobicContact CG-CD2 4.07Å; P422-Y425 HydrophobicContact CG-CE2 3.9Å; P422-Y425 PolarHBondContact O-N 3.35Å | ||
| 423 | L | 67.3 | Low | 72.8 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 56% | 0.555 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -49.7 | -20.6 | 177.1 | -82.7 | 157 | 0 | 0 | 0 | 114.8 | L421 Y425 A426 R427 | L421-L423 PolarHBondContact O-N 3.19Å; L423-Y425 PolarHBondContact O-N 2.96Å; L423-A426 HydrophobicContact CD2-CB 4.48Å; L423-A426 PolarHBondContact O-N 2.91Å; L423-R427 PolarHBondContact O-N 2.67Å |
| 424 | K | 78.7 | Confident | 74.1 | Confident | 128 Ų | 128 | 55.6 Ų | 55.6 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -56.4 | -33.2 | 169.8 | 67.8 | 168.9 | -171.8 | 159.7 | 0 | 112.9 | G51 P422 S428 | G51-K424 PolarHBondContact O-NZ 3.19Å; P422-K424 HydrophobicContact CB-CG 3.98Å; P422-K424 PolarHBondContact O-N 3.27Å; K424-S428 PolarHBondContact O-N 3.43Å |
| 425 | Y | 86.4 | Confident | 75.5 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -81.9 | -34 | 179 | -58.5 | -54.3 | 0 | 0 | 0 | 112.4 | G51 W52 N53 P54 P422 L423 R427 S428 N431 | G51-Y425 PolarHBondContact O-OH 3.14Å; W52-Y425 HydrophobicContact CD2-CE1 4.21Å; W52-Y425 AromaticContact CE3-CD1 3.86Å; W52-Y425 HydrophobicContact CE3-CD1 3.86Å; W52-Y425 AromaticContact CE3-CE1 3.71Å; W52-Y425 HydrophobicContact CE3-CE1 3.71Å; W52-Y425 AromaticContact CH2-CD1 3.9Å; W52-Y425 HydrophobicContact CH2-CD1 3.9Å; W52-Y425 AromaticContact CZ3-CD1 3.51Å; W52-Y425 HydrophobicContact CZ3-CD1 3.51Å; W52-Y425 AromaticContact CZ3-CE1 3.89Å; W52-Y425 HydrophobicContact CZ3-CE1 3.89Å; N53-Y425 VanDerWaalsContact C-OH 3.24Å; N53-Y425 PolarHBondContact N-OH 3.48Å; N53-Y425 WeakPolarHBondContact O-CE2 3.21Å; N53-Y425 PolarHBondContact O-OH 2.96Å; P54-Y425 HydrophobicContact CB-CD1 4.12Å; P54-Y425 HydrophobicContact CB-CD2 4.03Å; P54-Y425 HydrophobicContact CB-CE2 4.4Å; P54-Y425 HydrophobicContact CB-CG 3.86Å; P422-Y425 HydrophobicContact CB-CD2 3.72Å; P422-Y425 HydrophobicContact CB-CE2 3.83Å; P422-Y425 HydrophobicContact CG-CD2 4.07Å; P422-Y425 HydrophobicContact CG-CE2 3.9Å; P422-Y425 PolarHBondContact O-N 3.35Å; L423-Y425 PolarHBondContact O-N 2.96Å; Y425-R427 PolarHBondContact O-N 3.42Å; Y425-S428 PolarHBondContact O-N 2.88Å; Y425-S428 VanDerWaalsContact O-N 3.17Å; Y425-N431 WeakPolarHBondContact O-CB 3.23Å; Y425-N431 PolarHBondContact O-ND2 2.82Å |
| 426 | A | 84.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -26 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P397 Q398 L423 N434 | P397-A426 HydrophobicContact CB-CB 4.29Å; P397-A426 HydrophobicContact CG-CB 4.48Å; P397-A426 WeakPolarHBondContact O-CA 3.49Å; Q398-A426 WeakPolarHBondContact O-CB 3.42Å; L423-A426 HydrophobicContact CD2-CB 4.48Å; L423-A426 PolarHBondContact O-N 2.91Å; A426-N434 PolarHBondContact O-ND2 3.33Å |
| 427 | R | 85.6 | Confident | 78.3 | Confident | 181 Ų | 181 | 47.4 Ų | 47.4 | 68% | 0.683 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 0.8 | 177.1 | -60.8 | -177.3 | -178 | -176.2 | -0.1 | 114.3 | L423 Y425 | L423-R427 PolarHBondContact O-N 2.67Å; Y425-R427 PolarHBondContact O-N 3.42Å |
| 428 | S | 91.1 | Very high | 79.7 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | trans | -70.3 | 140.3 | 179.9 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | W52 K424 Y425 W430 N431 N434 | W52-S428 WeakPolarHBondContact CH2-OG 3.26Å; W52-S428 WeakPolarHBondContact CZ3-OG 3.12Å; K424-S428 PolarHBondContact O-N 3.43Å; Y425-S428 PolarHBondContact O-N 2.88Å; Y425-S428 VanDerWaalsContact O-N 3.17Å; S428-W430 PolarHBondContact O-N 2.9Å; S428-W430 PolarHBondContact OG-N 3.15Å; S428-W430 VanDerWaalsContact OG-N 3.16Å; S428-N431 VanDerWaalsContact O-CB 3.32Å; S428-N431 WeakPolarHBondContact O-CB 3.34Å; S428-N431 PolarHBondContact O-N 3.04Å; S428-N434 PolarHBondContact O-ND2 3.21Å | ||
| 429 | P | 92.7 | Very high | 81.4 | Confident | 58 Ų | 58 | 45.4 Ų | 45.4 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19 | 172 | 30.7 | -36.5 | 0 | 0 | 0 | 112.6 | P27 N431 L435 | P27-P429 HydrophobicContact CG-CB 3.87Å; P27-P429 HydrophobicContact CG-CG 4.18Å; P429-N431 VanDerWaalsContact C-N 3.31Å; P429-L435 WeakPolarHBondContact O-CB 3.33Å; P429-L435 WeakPolarHBondContact O-CD1 3.47Å |
| 430 | W | 94.5 | Very high | 83.2 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.4 | 175 | -71.3 | 92.9 | 0 | 0 | 0 | 114.6 | F24 P27 Y30 F31 I46 W52 S428 I479 F549 | F24-W430 AromaticContact CD1-CD1 3.72Å; F24-W430 HydrophobicContact CD1-CG 4.44Å; F24-W430 AromaticContact CD1-NE1 3.63Å; F24-W430 HydrophobicContact CD2-CD2 4.06Å; F24-W430 AromaticContact CD2-CE2 3.38Å; F24-W430 HydrophobicContact CD2-CH2 4.23Å; F24-W430 AromaticContact CD2-CZ2 3.49Å; F24-W430 HydrophobicContact CD2-CZ2 3.49Å; F24-W430 VanDerWaalsContact CD2-CZ2 3.49Å; F24-W430 AromaticContact CD2-NE1 3.47Å; F24-W430 HydrophobicContact CE1-CB 4.38Å; F24-W430 AromaticContact CE1-CD1 3.48Å; F24-W430 VanDerWaalsContact CE1-CD1 3.48Å; F24-W430 HydrophobicContact CE1-CD2 4.26Å; F24-W430 AromaticContact CE1-CG 3.81Å; F24-W430 HydrophobicContact CE1-CG 3.81Å; F24-W430 AromaticContact CE1-NE1 3.76Å; F24-W430 AromaticContact CE2-CD1 3.97Å; F24-W430 AromaticContact CE2-CD2 3.46Å; F24-W430 HydrophobicContact CE2-CD2 3.46Å; F24-W430 VanDerWaalsContact CE2-CD2 3.46Å; F24-W430 AromaticContact CE2-CE2 3.3Å; F24-W430 AromaticContact CE2-CE3 3.9Å; F24-W430 HydrophobicContact CE2-CE3 3.9Å; F24-W430 AromaticContact CE2-CG 3.91Å; F24-W430 HydrophobicContact CE2-CG 3.91Å; F24-W430 HydrophobicContact CE2-CH2 4.06Å; F24-W430 AromaticContact CE2-CZ2 3.64Å; F24-W430 HydrophobicContact CE2-CZ2 3.64Å; F24-W430 HydrophobicContact CE2-CZ3 4.17Å; F24-W430 AromaticContact CE2-NE1 3.61Å; F24-W430 AromaticContact CG-CE2 3.92Å; F24-W430 HydrophobicContact CG-CZ2 4.3Å; F24-W430 AromaticContact CG-NE1 3.48Å; F24-W430 HydrophobicContact CZ-CB 4.11Å; F24-W430 AromaticContact CZ-CD1 3.61Å; F24-W430 AromaticContact CZ-CD2 3.58Å; F24-W430 HydrophobicContact CZ-CD2 3.58Å; F24-W430 AromaticContact CZ-CE2 3.77Å; F24-W430 HydrophobicContact CZ-CE3 4.2Å; F24-W430 AromaticContact CZ-CG 3.51Å; F24-W430 HydrophobicContact CZ-CG 3.51Å; F24-W430 AromaticContact CZ-NE1 3.75Å; F24-W430 PolarHBondContact O-NE1 2.61Å; P27-W430 HydrophobicContact CB-CD2 4.28Å; P27-W430 HydrophobicContact CB-CH2 4.25Å; P27-W430 HydrophobicContact CB-CZ2 3.91Å; P27-W430 HydrophobicContact CG-CD2 4.03Å; P27-W430 HydrophobicContact CG-CG 4.18Å; P27-W430 HydrophobicContact CG-CZ2 4.22Å; Y30-W430 HydrophobicContact CD1-CH2 4.12Å; Y30-W430 HydrophobicContact CD1-CZ2 4.35Å; F31-W430 HydrophobicContact CD1-CH2 4.49Å; F31-W430 AromaticContact CE1-CH2 3.59Å; F31-W430 HydrophobicContact CE1-CH2 3.59Å; F31-W430 AromaticContact CE1-CZ3 3.68Å; F31-W430 HydrophobicContact CE1-CZ3 3.68Å; F31-W430 HydrophobicContact CZ-CH2 4.03Å; F31-W430 AromaticContact CZ-CZ3 3.87Å; F31-W430 HydrophobicContact CZ-CZ3 3.87Å; I46-W430 HydrophobicContact CD1-CH2 4.11Å; I46-W430 HydrophobicContact CD1-CZ3 4.17Å; W52-W430 HydrophobicContact CH2-CB 3.85Å; W52-W430 HydrophobicContact CZ2-CB 3.97Å; W52-W430 HydrophobicContact CZ3-CB 4.49Å; S428-W430 PolarHBondContact O-N 2.9Å; S428-W430 PolarHBondContact OG-N 3.15Å; S428-W430 VanDerWaalsContact OG-N 3.16Å; W430-I479 HydrophobicContact CE3-CD1 4.34Å; W430-I479 HydrophobicContact CZ3-CD1 4.01Å; W430-F549 HydrophobicContact CB-CZ 4.18Å; W430-F549 HydrophobicContact CE3-CD2 4.38Å; W430-F549 HydrophobicContact CE3-CE1 4.26Å; W430-F549 HydrophobicContact CE3-CE2 4.01Å; W430-F549 AromaticContact CE3-CZ 3.95Å; W430-F549 HydrophobicContact CE3-CZ 3.95Å |
| 431 | N | 92.6 | Very high | 85 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -75.7 | 122.2 | 169.1 | -179 | -28.4 | 0 | 0 | 0 | 108.1 | F396 P397 Y425 S428 P429 N433 N434 L435 | F396-N431 WeakPolarHBondContact CB-OD1 3.12Å; F396-N431 HydrophobicContact CD1-CB 4.3Å; P397-N431 PolarHBondContact O-ND2 3.06Å; Y425-N431 WeakPolarHBondContact O-CB 3.23Å; Y425-N431 PolarHBondContact O-ND2 2.82Å; S428-N431 VanDerWaalsContact O-CB 3.32Å; S428-N431 WeakPolarHBondContact O-CB 3.34Å; S428-N431 PolarHBondContact O-N 3.04Å; P429-N431 VanDerWaalsContact C-N 3.31Å; N431-N433 PolarHBondContact O-N 2.98Å; N431-N433 VanDerWaalsContact O-N 3.13Å; N431-N433 PolarHBondContact OD1-N 2.96Å; N431-N433 PolarHBondContact OD1-ND2 3.21Å; N431-N434 HydrophobicContact CB-CB 4.48Å; N431-N434 WeakPolarHBondContact O-CA 3.19Å; N431-N434 WeakPolarHBondContact O-CB 3.49Å; N431-N434 PolarHBondContact O-N 2.79Å; N431-L435 PolarHBondContact O-N 3.2Å |
| 432 | L | 93.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -30.1 | -168.5 | -60.8 | -172.2 | 0 | 0 | 0 | 113.5 | F396 N434 L435 A436 P456 I479 F549 E569 V571 | F396-L432 HydrophobicContact CD2-CB 4.49Å; F396-L432 HydrophobicContact CD2-CG 4.43Å; F396-L432 HydrophobicContact CE2-CB 4.19Å; F396-L432 HydrophobicContact CE2-CD1 4.05Å; F396-L432 HydrophobicContact CE2-CG 3.66Å; F396-L432 HydrophobicContact CZ-CG 4.22Å; L432-N434 VanDerWaalsContact C-N 3.34Å; L432-N434 PolarHBondContact O-N 2.82Å; L432-L435 HydrophobicContact CD2-CD2 3.88Å; L432-L435 PolarHBondContact O-N 3.32Å; L432-A436 PolarHBondContact O-N 2.79Å; L432-P456 HydrophobicContact CB-CB 4.46Å; L432-P456 HydrophobicContact CB-CG 4.2Å; L432-I479 HydrophobicContact CD2-CG1 4.43Å; L432-I479 HydrophobicContact CD2-CG2 3.64Å; L432-F549 HydrophobicContact CD2-CE1 4.18Å; L432-E569 HydrophobicContact CD1-CB 4.36Å; L432-E569 HydrophobicContact CD1-CG 4.28Å; L432-E569 WeakPolarHBondContact CD1-O 3.34Å; L432-V571 HydrophobicContact CB-CG1 3.92Å; L432-V571 HydrophobicContact CD2-CG1 4.27Å; L432-V571 HydrophobicContact CG-CG1 4.45Å |
| 433 | N | 88.3 | Confident | 87.8 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 171.7 | -56.9 | -99 | 0 | 0 | 0 | 112.6 | S394 Q398 N431 | S394-N433 PolarHBondContact OG-ND2 2.8Å; Q398-N433 PolarHBondContact NE2-OD1 3Å; N431-N433 PolarHBondContact O-N 2.98Å; N431-N433 VanDerWaalsContact O-N 3.13Å; N431-N433 PolarHBondContact OD1-N 2.96Å; N431-N433 PolarHBondContact OD1-ND2 3.21Å |
| 434 | N | 91.3 | Very high | 88.7 | Confident | 38 Ų | 38 | 34.4 Ų | 34.4 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -79.8 | -34.4 | 177.6 | -66.6 | -40.2 | 0 | 0 | 0 | 111.3 | A426 S428 N431 L432 C437 S438 | A426-N434 PolarHBondContact O-ND2 3.33Å; S428-N434 PolarHBondContact O-ND2 3.21Å; N431-N434 HydrophobicContact CB-CB 4.48Å; N431-N434 WeakPolarHBondContact O-CA 3.19Å; N431-N434 WeakPolarHBondContact O-CB 3.49Å; N431-N434 PolarHBondContact O-N 2.79Å; L432-N434 VanDerWaalsContact C-N 3.34Å; L432-N434 PolarHBondContact O-N 2.82Å; N434-C437 CarbonylContact O-C 3.51Å; N434-S438 PolarHBondContact O-N 2.96Å; N434-S438 VanDerWaalsContact O-N 3.17Å |
| 435 | L | 92.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.9 | -44.9 | -170.6 | -169.7 | 65.5 | 0 | 0 | 0 | 112.5 | P27 F28 F31 P429 N431 L432 C437 S438 I479 L573 | P27-L435 HydrophobicContact CB-CD1 3.6Å; P27-L435 HydrophobicContact CG-CD1 3.68Å; F28-L435 HydrophobicContact CD2-CD1 4.38Å; F28-L435 HydrophobicContact CE2-CD1 3.55Å; F28-L435 HydrophobicContact CE2-CG 4.49Å; F28-L435 HydrophobicContact CZ-CD1 3.89Å; F28-L435 HydrophobicContact CZ-CG 4.39Å; F28-L435 WeakPolarHBondContact CZ-O 3.05Å; F31-L435 HydrophobicContact CE2-CD1 4.23Å; F31-L435 HydrophobicContact CE2-CD2 4.35Å; F31-L435 HydrophobicContact CZ-CD2 4.21Å; P429-L435 WeakPolarHBondContact O-CB 3.33Å; P429-L435 WeakPolarHBondContact O-CD1 3.47Å; N431-L435 PolarHBondContact O-N 3.2Å; L432-L435 HydrophobicContact CD2-CD2 3.88Å; L432-L435 PolarHBondContact O-N 3.32Å; L435-C437 VanDerWaalsContact C-N 3.32Å; L435-C437 PolarHBondContact O-N 3.34Å; L435-S438 VanDerWaalsContact O-CB 3.24Å; L435-S438 WeakPolarHBondContact O-CB 3.43Å; L435-S438 PolarHBondContact O-N 3.22Å; L435-I479 HydrophobicContact CD2-CD1 4.14Å; L435-I479 HydrophobicContact CD2-CG2 3.92Å; L435-L573 HydrophobicContact CB-CD2 4.34Å; L435-L573 HydrophobicContact CD2-CD1 3.82Å; L435-L573 HydrophobicContact CD2-CD2 4.03Å; L435-L573 HydrophobicContact CG-CD1 4.13Å; L435-L573 HydrophobicContact CG-CD2 3.69Å |
| 436 | A | 85.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L432 S438 S441 L443 V571 L573 | L432-A436 PolarHBondContact O-N 2.79Å; A436-S438 VanDerWaalsContact C-N 3.33Å; A436-S441 WeakPolarHBondContact O-CB 3.39Å; A436-S441 PolarHBondContact O-OG 3.4Å; A436-L443 HydrophobicContact CB-CD2 4.3Å; A436-V571 HydrophobicContact CB-CG1 4.1Å; A436-V571 HydrophobicContact CB-CG2 3.62Å; A436-L573 HydrophobicContact CB-CD2 4.47Å |
| 437 | C | 86.1 | Confident | 88.2 | Confident | 67 Ų | 67 | 35 Ų | 35 | 45% | 0.453 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 13.3 | 178.7 | -65.5 | 0 | 0 | 0 | 0 | 114 | N434 L435 | N434-C437 CarbonylContact O-C 3.51Å; L435-C437 VanDerWaalsContact C-N 3.32Å; L435-C437 PolarHBondContact O-N 3.34Å |
| 438 | S | 89 | Confident | 87.3 | Confident | 20 Ų | 20 | 31 Ų | 31 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | trans | -64 | 143.4 | 174.2 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | F28 N434 L435 A436 E440 S441 S444 | F28-S438 VanDerWaalsContact CE2-CB 3.46Å; F28-S438 WeakPolarHBondContact CE2-OG 3.42Å; N434-S438 PolarHBondContact O-N 2.96Å; N434-S438 VanDerWaalsContact O-N 3.17Å; L435-S438 VanDerWaalsContact O-CB 3.24Å; L435-S438 WeakPolarHBondContact O-CB 3.43Å; L435-S438 PolarHBondContact O-N 3.22Å; A436-S438 VanDerWaalsContact C-N 3.33Å; S438-E440 PolarHBondContact O-N 3.46Å; S438-E440 PolarHBondContact OG-N 3.15Å; S438-E440 VanDerWaalsContact OG-N 3.17Å; S438-S441 WeakPolarHBondContact O-CA 3.49Å; S438-S441 WeakPolarHBondContact O-CB 3.34Å; S438-S441 PolarHBondContact O-N 3.39Å; S438-S441 VanDerWaalsContact O-O 3.11Å; S438-S444 WeakPolarHBondContact O-CB 3.5Å; S438-S444 PolarHBondContact O-OG 2.92Å | ||
| 439 | P | 85.9 | Confident | 86 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 58% | 0.578 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.8 | 170.1 | 29 | -36 | 0 | 0 | 0 | 113.2 | ||
| 440 | E | 90.4 | Very high | 84.8 | Confident | 50 Ų | 50 | 35.5 Ų | 35.5 | 23% | 0.234 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.8 | 168.5 | -66.7 | -171.6 | -103.6 | 0 | 0 | 113.2 | N26 F28 S438 A614 M617 | N26-E440 PolarHBondContact ND2-OE1 3.38Å; F28-E440 HydrophobicContact CB-CB 4.04Å; F28-E440 WeakPolarHBondContact CB-OE2 3.47Å; F28-E440 HydrophobicContact CD1-CB 4Å; F28-E440 WeakPolarHBondContact CD1-O 3.18Å; F28-E440 HydrophobicContact CD2-CB 3.62Å; F28-E440 HydrophobicContact CE1-CB 4.41Å; F28-E440 WeakPolarHBondContact CE1-O 3.29Å; F28-E440 HydrophobicContact CE2-CB 4.08Å; F28-E440 HydrophobicContact CG-CB 3.59Å; F28-E440 HydrophobicContact CZ-CB 4.46Å; S438-E440 PolarHBondContact O-N 3.46Å; S438-E440 PolarHBondContact OG-N 3.15Å; S438-E440 VanDerWaalsContact OG-N 3.17Å; E440-A614 HydrophobicContact CG-CB 4.45Å; E440-M617 WeakPolarHBondContact O-CE 3.44Å |
| 441 | S | 91.8 | Very high | 83 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -116.1 | 122.2 | 173.6 | -175 | 0 | 0 | 0 | 0 | 110.2 | A436 S438 L443 S444 F574 | A436-S441 WeakPolarHBondContact O-CB 3.39Å; A436-S441 PolarHBondContact O-OG 3.4Å; S438-S441 WeakPolarHBondContact O-CA 3.49Å; S438-S441 WeakPolarHBondContact O-CB 3.34Å; S438-S441 PolarHBondContact O-N 3.39Å; S438-S441 VanDerWaalsContact O-O 3.11Å; S441-L443 PolarHBondContact O-N 2.78Å; S441-L443 VanDerWaalsContact O-N 3.08Å; S441-L443 WeakPolarHBondContact OG-CB 3.19Å; S441-S444 WeakPolarHBondContact O-CB 3.48Å; S441-S444 PolarHBondContact O-N 2.76Å; S441-S444 VanDerWaalsContact O-N 3.08Å; S441-S444 PolarHBondContact O-OG 3.17Å; S441-F574 CarbonylContact C-O 3.6Å; S441-F574 WeakPolarHBondContact CA-O 3.21Å; S441-F574 PolarHBondContact OG-N 2.96Å |
| 442 | A | 91.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -59.3 | -22 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S444 F445 F574 W578 L603 M607 M617 | A442-S444 PolarHBondContact O-N 3.49Å; A442-F445 PolarHBondContact O-N 3.26Å; A442-F445 VanDerWaalsContact O-N 3.17Å; A442-F574 HydrophobicContact CB-CB 3.74Å; A442-F574 HydrophobicContact CB-CD2 4.28Å; A442-F574 PolarHBondContact N-O 3.36Å; A442-W578 HydrophobicContact CB-CE3 4.37Å; A442-W578 HydrophobicContact CB-CZ3 4.24Å; A442-L603 HydrophobicContact CB-CD2 4.36Å; A442-L603 WeakPolarHBondContact O-CD1 3.39Å; A442-M607 HydrophobicContact CB-CE 3.74Å; A442-M607 HydrophobicContact CB-SD 3.68Å; A442-M617 HydrophobicContact CB-SD 4.39Å |
| 443 | L | 85.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -63.8 | -20.1 | 176.9 | -173.5 | 53.2 | 0 | 0 | 0 | 113.3 | A436 S441 F445 I446 I453 K454 N572 F574 | A436-L443 HydrophobicContact CB-CD2 4.3Å; S441-L443 PolarHBondContact O-N 2.78Å; S441-L443 VanDerWaalsContact O-N 3.08Å; S441-L443 WeakPolarHBondContact OG-CB 3.19Å; L443-F445 VanDerWaalsContact C-N 3.32Å; L443-I446 HydrophobicContact CD1-CD1 4.09Å; L443-I453 HydrophobicContact CD1-CG2 3.83Å; L443-I453 HydrophobicContact CD2-CG2 4.14Å; L443-K454 HydrophobicContact CD1-CB 4Å; L443-K454 HydrophobicContact CD1-CG 4.32Å; L443-K454 HydrophobicContact CG-CB 4.19Å; L443-K454 HydrophobicContact CG-CG 4.13Å; L443-K454 VanDerWaalsContact O-CE 3.28Å; L443-K454 WeakPolarHBondContact O-CE 3.45Å; L443-N572 HydrophobicContact CD2-CB 4.5Å; L443-N572 VanDerWaalsContact CD2-O 3.24Å; L443-N572 WeakPolarHBondContact CD2-O 3.4Å; L443-F574 HydrophobicContact CB-CB 4.38Å; L443-F574 HydrophobicContact CB-CD2 3.61Å; L443-F574 HydrophobicContact CB-CE2 4.05Å; L443-F574 HydrophobicContact CB-CG 4.08Å; L443-F574 HydrophobicContact CD1-CD2 4.19Å; L443-F574 HydrophobicContact CD1-CE2 3.71Å; L443-F574 HydrophobicContact CD1-CZ 4.22Å; L443-F574 HydrophobicContact CG-CD2 4.4Å; L443-F574 HydrophobicContact CG-CE2 4.37Å |
| 444 | S | 85.9 | Confident | 80.4 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -63.8 | -36.9 | 173.7 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | S438 S441 A442 I446 K454 | S438-S444 WeakPolarHBondContact O-CB 3.5Å; S438-S444 PolarHBondContact O-OG 2.92Å; S441-S444 WeakPolarHBondContact O-CB 3.48Å; S441-S444 PolarHBondContact O-N 2.76Å; S441-S444 VanDerWaalsContact O-N 3.08Å; S441-S444 PolarHBondContact O-OG 3.17Å; A442-S444 PolarHBondContact O-N 3.49Å; S444-I446 VanDerWaalsContact C-N 3.28Å; S444-I446 PolarHBondContact O-N 3.12Å; S444-K454 PolarHBondContact O-NZ 2.68Å; S444-K454 VanDerWaalsContact O-NZ 3.1Å |
| 445 | F | 86.6 | Confident | 80 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -81.5 | 7.8 | -177.2 | -53.5 | -86.3 | 0 | 0 | 0 | 114.8 | A442 L443 L603 R606 M607 C610 L613 | A442-F445 PolarHBondContact O-N 3.26Å; A442-F445 VanDerWaalsContact O-N 3.17Å; L443-F445 VanDerWaalsContact C-N 3.32Å; F445-L603 HydrophobicContact CB-CD1 3.91Å; F445-R606 WeakPolarHBondContact O-CD 3.43Å; F445-M607 HydrophobicContact CB-CG 3.75Å; F445-M607 HydrophobicContact CD1-CG 4.3Å; F445-M607 HydrophobicContact CD2-CE 4.33Å; F445-M607 HydrophobicContact CD2-CG 3.71Å; F445-M607 HydrophobicContact CD2-SD 4.32Å; F445-M607 HydrophobicContact CE2-CE 4.45Å; F445-M607 HydrophobicContact CE2-CG 4.41Å; F445-M607 HydrophobicContact CG-CG 3.65Å; F445-C610 HydrophobicContact CD1-CB 4.08Å; F445-C610 VanDerWaalsContact CD1-SG 3.6Å; F445-C610 HydrophobicContact CE1-CB 3.76Å; F445-L613 HydrophobicContact CE1-CD2 4.17Å; F445-L613 HydrophobicContact CE2-CD2 3.98Å; F445-L613 HydrophobicContact CZ-CD2 3.51Å |
| 446 | I | 81.2 | Confident | 79.8 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | trans | -93.7 | 108.4 | 167.6 | -59.4 | -174.9 | 0 | 0 | 0 | 108.1 | L443 S444 K448 I450 K454 F574 F598 L603 | L443-I446 HydrophobicContact CD1-CD1 4.09Å; S444-I446 VanDerWaalsContact C-N 3.28Å; S444-I446 PolarHBondContact O-N 3.12Å; I446-K448 VanDerWaalsContact C-N 3.32Å; I446-K448 HydrophobicContact CG2-CB 4.31Å; I446-K448 PolarHBondContact O-N 2.98Å; I446-I450 HydrophobicContact CD1-CD1 4.29Å; I446-I450 HydrophobicContact CG2-CD1 3.77Å; I446-I450 HydrophobicContact CG2-CG1 4.12Å; I446-K454 PolarHBondContact O-NZ 2.96Å; I446-F574 HydrophobicContact CD1-CE2 4.08Å; I446-F598 HydrophobicContact CD1-CD1 3.84Å; I446-F598 HydrophobicContact CD1-CD2 3.9Å; I446-F598 HydrophobicContact CD1-CE1 3.81Å; I446-F598 HydrophobicContact CD1-CE2 3.89Å; I446-F598 HydrophobicContact CD1-CG 3.9Å; I446-F598 HydrophobicContact CD1-CZ 3.85Å; I446-L603 HydrophobicContact CD1-CD2 4.33Å; I446-L603 HydrophobicContact CG1-CD1 3.89Å; I446-L603 HydrophobicContact CG1-CD2 4.43Å | ||
| 447 | D | 70.3 | Confident | 80 | Confident | 115 Ų | 115 | 45 Ų | 45 | 62% | 0.615 | 23% | 0.23 | S | C | * | . | trans | -63.8 | -36.7 | -177.8 | -54.7 | -46.1 | 0 | 0 | 0 | 112.6 | R606 | D447-R606 IonicContact OD2-CZ 3.78Å; D447-R606 IonicContact OD2-NE 2.74Å; D447-R606 PolarHBondContact OD2-NE 2.95Å; D447-R606 IonicContact OD2-NH2 3.62Å | ||
| 448 | K | 68.1 | Low | 80.1 | Confident | 98 Ų | 98 | 41.8 Ų | 41.8 | 43% | 0.426 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -64.2 | 133.3 | 179.1 | -58.4 | -169 | -177.9 | -165.1 | 0 | 110.9 | I446 I450 D655 | I446-K448 VanDerWaalsContact C-N 3.32Å; I446-K448 HydrophobicContact CG2-CB 4.31Å; I446-K448 PolarHBondContact O-N 2.98Å; K448-I450 HydrophobicContact CB-CG1 4.21Å; K448-I450 PolarHBondContact O-N 3.42Å; K448-D655 IonicContact NZ-OD2 2.95Å; K448-D655 PolarHBondContact NZ-OD2 3.1Å |
| 449 | E | 61.9 | Low | 80.2 | Confident | 143 Ų | 143 | 41.8 Ų | 41.8 | 67% | 0.668 | 21% | 0.207 | S | C | * | . | trans | -70.8 | 80.6 | 166.2 | -73.8 | -158 | 156.6 | 0 | 0 | 110.6 | L451 | E449-L451 VanDerWaalsContact C-N 3.31Å; E449-L451 PolarHBondContact O-N 3.33Å | ||
| 450 | I | 68.1 | Low | 80.5 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | trans | -70.8 | 93.3 | 171.4 | -52.9 | -175.6 | 0 | 0 | 0 | 108 | I446 K448 I453 K454 V597 F598 | I446-I450 HydrophobicContact CD1-CD1 4.29Å; I446-I450 HydrophobicContact CG2-CD1 3.77Å; I446-I450 HydrophobicContact CG2-CG1 4.12Å; K448-I450 HydrophobicContact CB-CG1 4.21Å; K448-I450 PolarHBondContact O-N 3.42Å; I450-I453 HydrophobicContact CB-CB 4.4Å; I450-I453 HydrophobicContact CG2-CB 3.96Å; I450-I453 HydrophobicContact CG2-CD1 3.89Å; I450-I453 HydrophobicContact CG2-CG1 3.9Å; I450-I453 PolarHBondContact O-N 3.4Å; I450-I453 VanDerWaalsContact O-N 3.16Å; I450-K454 PolarHBondContact O-N 2.81Å; I450-V597 HydrophobicContact CD1-CG1 4.46Å; I450-V597 HydrophobicContact CG2-CG1 3.66Å; I450-F598 HydrophobicContact CD1-CB 3.94Å; I450-F598 HydrophobicContact CD1-CD1 3.65Å; I450-F598 HydrophobicContact CD1-CG 4.14Å | ||
| 451 | L | 56.8 | Low | 80.6 | Confident | 71 Ų | 71 | 35.2 Ų | 35.2 | 37% | 0.372 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 145.2 | 174.6 | -66.1 | 173.9 | 0 | 0 | 0 | 110.7 | E449 I453 V455 | E449-L451 VanDerWaalsContact C-N 3.31Å; E449-L451 PolarHBondContact O-N 3.33Å; L451-I453 PolarHBondContact O-N 3.43Å; L451-V455 HydrophobicContact CD2-CG2 4.35Å |
| 452 | R | 62.2 | Low | 80.7 | Confident | 133 Ų | 133 | 35.3 Ų | 35.3 | 50% | 0.502 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -28.3 | -172 | -53.1 | 179.1 | 177.6 | 175.9 | -1.4 | 116.2 | D386 | D386-R452 IonicContact OD2-CZ 2.73Å; D386-R452 IonicContact OD2-NH1 2.76Å |
| 453 | I | 78.4 | Confident | 80.8 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -62.1 | 177.2 | -53.6 | -168.9 | 0 | 0 | 0 | 111.4 | L443 I450 L451 D473 V571 N572 F574 V597 | L443-I453 HydrophobicContact CD1-CG2 3.83Å; L443-I453 HydrophobicContact CD2-CG2 4.14Å; I450-I453 HydrophobicContact CB-CB 4.4Å; I450-I453 HydrophobicContact CG2-CB 3.96Å; I450-I453 HydrophobicContact CG2-CD1 3.89Å; I450-I453 HydrophobicContact CG2-CG1 3.9Å; I450-I453 PolarHBondContact O-N 3.4Å; I450-I453 VanDerWaalsContact O-N 3.16Å; L451-I453 PolarHBondContact O-N 3.43Å; I453-D473 HydrophobicContact CD1-CB 3.8Å; I453-V571 VanDerWaalsContact O-CG2 3.31Å; I453-V571 WeakPolarHBondContact O-CG2 3.47Å; I453-N572 WeakPolarHBondContact CA-OD1 3.48Å; I453-N572 HydrophobicContact CG2-CB 3.81Å; I453-N572 PolarHBondContact O-N 3.45Å; I453-F574 HydrophobicContact CG2-CZ 4.16Å; I453-V597 HydrophobicContact CD1-CB 4.37Å; I453-V597 HydrophobicContact CD1-CG1 4.01Å; I453-V597 HydrophobicContact CD1-CG2 4.42Å |
| 454 | K | 79.6 | Confident | 81.3 | Confident | 35 Ų | 35 | 35.3 Ų | 35.3 | 15% | 0.152 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -36.1 | -177.3 | -167.6 | 173.3 | -168.8 | -179.8 | 0 | 112.8 | L443 S444 I446 I450 | L443-K454 HydrophobicContact CD1-CB 4Å; L443-K454 HydrophobicContact CD1-CG 4.32Å; L443-K454 HydrophobicContact CG-CB 4.19Å; L443-K454 HydrophobicContact CG-CG 4.13Å; L443-K454 VanDerWaalsContact O-CE 3.28Å; L443-K454 WeakPolarHBondContact O-CE 3.45Å; S444-K454 PolarHBondContact O-NZ 2.68Å; S444-K454 VanDerWaalsContact O-NZ 3.1Å; I446-K454 PolarHBondContact O-NZ 2.96Å; I450-K454 PolarHBondContact O-N 2.81Å |
| 455 | V | 82.5 | Confident | 81.7 | Confident | 16 Ų | 16 | 34 Ų | 34 | 10% | 0.097 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -90.3 | 123.5 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | L451 | L451-V455 HydrophobicContact CD2-CG2 4.35Š|
| 456 | P | 88.5 | Confident | 82.1 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | trans | -55 | 145.3 | 176 | -24.8 | 33.2 | 0 | 0 | 0 | 112.3 | T389 L432 E569 A570 V571 | T389-P456 WeakPolarHBondContact CB-O 3.42Å; T389-P456 HydrophobicContact CG2-CB 4.18Å; T389-P456 WeakPolarHBondContact CG2-O 3.42Å; T389-P456 PolarHBondContact N-O 3.26Å; T389-P456 VanDerWaalsContact N-O 3.09Å; T389-P456 PolarHBondContact OG1-O 3.31Å; L432-P456 HydrophobicContact CB-CB 4.46Å; L432-P456 HydrophobicContact CB-CG 4.2Å; P456-E569 HydrophobicContact CB-CG 4.05Å; P456-E569 WeakPolarHBondContact CB-OE1 3.43Å; P456-A570 CarbonylContact C-O 3.6Å; P456-A570 VanDerWaalsContact CA-O 3.3Å; P456-A570 WeakPolarHBondContact CA-O 3.34Å; P456-V571 HydrophobicContact CB-CB 4.19Å; P456-V571 HydrophobicContact CB-CG2 4.38Å; P456-V571 HydrophobicContact CG-CB 4.13Å; P456-V571 HydrophobicContact CG-CG2 4.01Å | ||
| 457 | S | 88.7 | Confident | 82.6 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135 | 178.9 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | L387 E569 A570 | L387-S457 WeakPolarHBondContact O-CA 3.39Å; S457-E569 CarbonylContact O-C 3.56Å; S457-E569 WeakPolarHBondContact O-CA 3.23Å; S457-A570 PolarHBondContact N-O 2.76Å; S457-A570 PolarHBondContact O-N 2.95Å |
| 458 | M | 89.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 142.2 | 178.7 | -166.9 | 154.9 | 66.6 | 0 | 0 | 111 | L63 L387 T389 V392 G393 I460 A568 | L63-M458 HydrophobicContact CD2-CE 3.73Å; L387-M458 HydrophobicContact CB-CB 4.45Å; L387-M458 WeakPolarHBondContact CB-O 3.22Å; L387-M458 PolarHBondContact N-O 2.87Å; L387-M458 VanDerWaalsContact N-O 3.09Å; L387-M458 PolarHBondContact O-N 3.3Å; T389-M458 HydrophobicContact CG2-CB 4.23Å; V392-M458 HydrophobicContact CB-CE 4.39Å; V392-M458 HydrophobicContact CG2-CB 4.3Å; V392-M458 HydrophobicContact CG2-CE 3.72Å; G393-M458 WeakPolarHBondContact O-CE 3.4Å; M458-I460 HydrophobicContact CG-CD1 4.19Å; M458-A568 CarbonylContact C-O 3.49Å; M458-A568 WeakPolarHBondContact CA-O 3.36Å |
| 459 | H | 90.9 | Very high | 84.7 | Confident | 20 Ų | 20 | 23.1 Ų | 23.1 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 110.3 | -174.7 | -61.4 | 95.3 | 0 | 0 | 0 | 110.1 | Y383 A384 D386 A568 | Y383-H459 HydrophobicContact CE2-CB 4.2Å; Y383-H459 PolarHBondContact OH-CD2 3.21Å; A384-H459 CarbonylContact O-C 3.59Å; A384-H459 WeakPolarHBondContact O-CA 3.35Å; D386-H459 PolarHBondContact N-CD2 3.41Å; D386-H459 PolarHBondContact N-NE2 3.12Å; D386-H459 IonicContact OD1-CD2 3.19Å; D386-H459 IonicContact OD1-CE1 3.23Å; D386-H459 IonicContact OD1-NE2 3.4Å; D386-H459 PolarHBondContact OD1-NE2 3.36Å; H459-A568 PolarHBondContact N-O 3.47Å; H459-A568 PolarHBondContact O-N 3.12Å |
| 460 | I | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 109.5 | 175.6 | -44.7 | -58.5 | 0 | 0 | 0 | 109.1 | F65 F336 Y383 A384 L387 M458 L565 N566 C567 | F65-I460 HydrophobicContact CE1-CG1 4.5Å; F65-I460 HydrophobicContact CZ-CB 4.49Å; F65-I460 HydrophobicContact CZ-CG2 4.29Å; F336-I460 HydrophobicContact CD1-CG2 4.02Å; F336-I460 HydrophobicContact CE1-CG2 3.98Å; Y383-I460 VanDerWaalsContact CD2-O 3.31Å; Y383-I460 WeakPolarHBondContact CD2-O 3.38Å; A384-I460 HydrophobicContact CB-CB 4.05Å; A384-I460 HydrophobicContact CB-CG1 4.37Å; A384-I460 PolarHBondContact N-O 2.87Å; A384-I460 VanDerWaalsContact N-O 3.14Å; A384-I460 PolarHBondContact O-N 3.47Å; L387-I460 HydrophobicContact CD1-CG1 4.2Å; M458-I460 HydrophobicContact CG-CD1 4.19Å; I460-L565 HydrophobicContact CG2-CD1 4.25Å; I460-N566 CarbonylContact C-O 3.58Å; I460-N566 WeakPolarHBondContact CA-O 3.49Å; I460-C567 HydrophobicContact CD1-CB 3.93Å; I460-C567 VanDerWaalsContact CD1-SG 3.59Å |
| 461 | G | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 148.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S465 G564 L565 N566 | G461-S465 VanDerWaalsContact CA-OG 3.31Å; G461-S465 WeakPolarHBondContact CA-OG 3.47Å; G461-G564 CarbonylContact C-O 3.57Å; G461-L565 WeakPolarHBondContact O-CA 3.39Å; G461-N566 PolarHBondContact N-O 3.39Å; G461-N566 PolarHBondContact O-N 2.9Å |
| 462 | S | 94 | Very high | 88.7 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | trans | -104.7 | 170.5 | 155.5 | 77.8 | 0 | 0 | 0 | 0 | 111.5 | K382 F464 S465 N562 G564 | K382-S462 VanDerWaalsContact O-CB 3.24Å; K382-S462 WeakPolarHBondContact O-CB 3.15Å; K382-S462 PolarHBondContact O-OG 2.9Å; S462-F464 PolarHBondContact O-N 3.24Å; S462-S465 PolarHBondContact N-OG 3.1Å; S462-S465 WeakPolarHBondContact O-CB 3.38Å; S462-S465 PolarHBondContact O-N 3.12Å; S462-S465 PolarHBondContact O-OG 3.25Å; S462-S465 WeakPolarHBondContact OG-CB 3.42Å; S462-N562 WeakPolarHBondContact O-CB 3.46Å; S462-G564 CarbonylContact C-O 3.55Å; S462-G564 WeakPolarHBondContact CA-O 3.44Å | ||
| 463 | C | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 132.6 | 161.4 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | F343 K344 S465 G564 | F343-C463 HydrophobicContact CD1-CB 4.22Å; F343-C463 HydrophobicContact CE1-CB 4.23Å; K344-C463 HydrophobicContact CB-CB 4.21Å; K344-C463 HydrophobicContact CD-CB 4.27Å; K344-C463 HydrophobicContact CG-CB 4.36Å; C463-S465 PolarHBondContact O-N 3.41Å; C463-G564 PolarHBondContact N-O 2.99Å |
| 464 | F | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -0.2 | -175.1 | -44.8 | -54.1 | 0 | 0 | 0 | 117.2 | L72 F343 H347 F348 V364 E367 F368 L371 V381 S462 T466 N562 | L72-F464 HydrophobicContact CD1-CB 3.8Å; L72-F464 HydrophobicContact CD1-CD2 4.3Å; L72-F464 HydrophobicContact CD1-CG 4.25Å; L72-F464 HydrophobicContact CD2-CB 4.4Å; F343-F464 AromaticContact CE1-CD2 3.78Å; F343-F464 HydrophobicContact CE1-CD2 3.78Å; F343-F464 AromaticContact CE1-CE2 3.99Å; F343-F464 HydrophobicContact CE1-CE2 3.99Å; F343-F464 HydrophobicContact CZ-CD2 4.01Å; F343-F464 HydrophobicContact CZ-CE2 4.18Å; H347-F464 AromaticContact CD2-CE2 3.88Å; H347-F464 AromaticContact CD2-CZ 3.97Å; H347-F464 AromaticContact NE2-CE2 3.89Å; F348-F464 HydrophobicContact CE2-CE1 4.39Å; F348-F464 HydrophobicContact CE2-CE2 4.39Å; F348-F464 AromaticContact CE2-CZ 3.72Å; F348-F464 HydrophobicContact CE2-CZ 3.72Å; F348-F464 HydrophobicContact CZ-CE1 4Å; F348-F464 AromaticContact CZ-CZ 3.52Å; F348-F464 HydrophobicContact CZ-CZ 3.52Å; V364-F464 HydrophobicContact CG1-CD1 4.01Å; V364-F464 HydrophobicContact CG1-CE1 3.65Å; E367-F464 HydrophobicContact CB-CE1 4.4Å; E367-F464 HydrophobicContact CB-CZ 4.4Å; E367-F464 HydrophobicContact CG-CE1 4.15Å; E367-F464 HydrophobicContact CG-CZ 3.71Å; F368-F464 HydrophobicContact CB-CD1 3.89Å; F368-F464 HydrophobicContact CB-CE1 4.2Å; F368-F464 HydrophobicContact CD2-CB 4Å; F368-F464 HydrophobicContact CD2-CD1 4.03Å; F368-F464 HydrophobicContact CD2-CG 4.39Å; F368-F464 HydrophobicContact CG-CD1 4.45Å; L371-F464 HydrophobicContact CD1-CD2 3.96Å; L371-F464 HydrophobicContact CD1-CE1 4.44Å; L371-F464 HydrophobicContact CD1-CE2 3.66Å; L371-F464 HydrophobicContact CD1-CG 4.48Å; L371-F464 HydrophobicContact CD1-CZ 3.92Å; V381-F464 HydrophobicContact CG1-CB 4.15Å; V381-F464 HydrophobicContact CG1-CD2 4.36Å; S462-F464 PolarHBondContact O-N 3.24Å; F464-T466 PolarHBondContact O-N 2.97Å; F464-T466 PolarHBondContact O-OG1 3.49Å; F464-N562 PolarHBondContact N-O 3.29Å |
| 465 | S | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -60.3 | 138.8 | 173.4 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | G461 S462 C463 F561 N562 | G461-S465 VanDerWaalsContact CA-OG 3.31Å; G461-S465 WeakPolarHBondContact CA-OG 3.47Å; S462-S465 PolarHBondContact N-OG 3.1Å; S462-S465 WeakPolarHBondContact O-CB 3.38Å; S462-S465 PolarHBondContact O-N 3.12Å; S462-S465 PolarHBondContact O-OG 3.25Å; S462-S465 WeakPolarHBondContact OG-CB 3.42Å; C463-S465 PolarHBondContact O-N 3.41Å; S465-F561 CarbonylContact O-C 3.12Å; S465-F561 WeakPolarHBondContact O-CA 3.11Å; S465-F561 WeakPolarHBondContact O-CB 3.11Å; S465-N562 PolarHBondContact O-N 3.18Å; S465-N562 PolarHBondContact O-ND2 3.01Å; S465-N562 WeakPolarHBondContact OG-CB 3.42Å; S465-N562 PolarHBondContact OG-ND2 3.48Å | ||
| 466 | T | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.006 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.5 | -155.9 | -69.3 | 0 | 0 | 0 | 0 | 113 | Q70 L75 F368 Y383 F464 L526 G560 | Q70-T466 PolarHBondContact NE2-O 3.1Å; Q70-T466 PolarHBondContact OE1-O 2.75Å; L75-T466 HydrophobicContact CD1-CG2 3.85Å; F368-T466 WeakPolarHBondContact CE2-OG1 3.26Å; F368-T466 HydrophobicContact CZ-CG2 4.12Å; F368-T466 VanDerWaalsContact CZ-OG1 3.28Å; F368-T466 WeakPolarHBondContact CZ-OG1 3.4Å; Y383-T466 WeakPolarHBondContact CE1-O 3.29Å; F464-T466 PolarHBondContact O-N 2.97Å; F464-T466 PolarHBondContact O-OG1 3.49Å; T466-L526 HydrophobicContact CG2-CD2 4.01Å; T466-G560 WeakPolarHBondContact CA-O 3.36Å |
| 467 | F | 92.1 | Very high | 92.1 | Very high | 21 Ų | 21 | 8.7 Ų | 8.7 | 9% | 0.092 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.6 | 161.1 | 54.3 | -78.3 | 0 | 0 | 0 | 109 | R488 W490 A559 G560 | F467-R488 HydrophobicContact CE1-CG 3.98Å; F467-R488 HydrophobicContact CZ-CG 4.39Å; F467-W490 HydrophobicContact CE2-CD2 4.08Å; F467-W490 AromaticContact CE2-CE3 3.61Å; F467-W490 HydrophobicContact CE2-CE3 3.61Å; F467-W490 HydrophobicContact CE2-CH2 4.22Å; F467-W490 AromaticContact CE2-CZ3 3.71Å; F467-W490 HydrophobicContact CE2-CZ3 3.71Å; F467-W490 AromaticContact CZ-CD2 3.63Å; F467-W490 HydrophobicContact CZ-CD2 3.63Å; F467-W490 AromaticContact CZ-CE2 3.86Å; F467-W490 AromaticContact CZ-CE3 3.67Å; F467-W490 HydrophobicContact CZ-CE3 3.67Å; F467-W490 HydrophobicContact CZ-CG 4.18Å; F467-W490 HydrophobicContact CZ-CH2 4.15Å; F467-W490 HydrophobicContact CZ-CZ2 4.11Å; F467-W490 AromaticContact CZ-CZ3 3.95Å; F467-W490 HydrophobicContact CZ-CZ3 3.95Å; F467-A559 WeakPolarHBondContact CE2-O 3.38Å; F467-A559 WeakPolarHBondContact O-CA 3.32Å; F467-G560 WeakPolarHBondContact CD1-O 3.38Å; F467-G560 VanDerWaalsContact CE1-C 3.42Å; F467-G560 VanDerWaalsContact CE2-N 3.3Å; F467-G560 VanDerWaalsContact CZ-CA 3.4Å; F467-G560 PolarHBondContact N-O 3.26Å; F467-G560 PolarHBondContact O-N 3.45Å |
| 468 | C | 91.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.007 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 176.7 | -173.6 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | H470 L523 I524 T525 H558 | C468-H470 PolarHBondContact O-N 2.85Å; C468-H470 PolarHBondContact O-ND1 3.09Å; C468-L523 VanDerWaalsContact CB-O 3.31Å; C468-L523 WeakPolarHBondContact CB-O 3.49Å; C468-I524 VanDerWaalsContact SG-C 3.52Å; C468-T525 WeakPolarHBondContact CB-O 3.29Å; C468-H558 VanDerWaalsContact O-O 3.12Å |
| 469 | W | 92.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 8.8 Ų | 8.8 | 1% | 0.008 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 119.8 | 176.9 | -72 | 116.5 | 0 | 0 | 0 | 111.4 | V493 F501 M505 T525 I527 P529 L532 I539 H558 A559 | W469-V493 HydrophobicContact CH2-CG2 4.09Å; W469-V493 HydrophobicContact CZ3-CG2 3.98Å; W469-F501 HydrophobicContact CB-CE1 4.44Å; W469-F501 HydrophobicContact CB-CZ 3.71Å; W469-F501 AromaticContact CD2-CE2 3.69Å; W469-F501 HydrophobicContact CD2-CE2 3.69Å; W469-F501 AromaticContact CD2-CZ 3.65Å; W469-F501 HydrophobicContact CD2-CZ 3.65Å; W469-F501 AromaticContact CE2-CE2 3.9Å; W469-F501 AromaticContact CE3-CE2 3.9Å; W469-F501 HydrophobicContact CE3-CE2 3.9Å; W469-F501 AromaticContact CE3-CZ 3.95Å; W469-F501 HydrophobicContact CE3-CZ 3.95Å; W469-F501 HydrophobicContact CG-CE2 4.04Å; W469-F501 AromaticContact CG-CZ 3.55Å; W469-F501 HydrophobicContact CG-CZ 3.55Å; W469-F501 HydrophobicContact CH2-CE2 4.47Å; W469-F501 HydrophobicContact CZ2-CE2 4.29Å; W469-F501 HydrophobicContact CZ3-CE2 4.29Å; W469-M505 HydrophobicContact CB-CE 4.27Å; W469-M505 HydrophobicContact CG-CE 4.41Å; W469-T525 PolarHBondContact N-O 3.2Å; W469-I527 PolarHBondContact NE1-O 2.87Å; W469-P529 HydrophobicContact CZ2-CG 4.33Å; W469-L532 HydrophobicContact CZ2-CD1 4.22Å; W469-I539 HydrophobicContact CH2-CD1 4.24Å; W469-I539 HydrophobicContact CH2-CG1 4.47Å; W469-I539 HydrophobicContact CH2-CG2 4.13Å; W469-I539 HydrophobicContact CZ2-CD1 4.15Å; W469-H558 WeakPolarHBondContact CA-O 3.37Å; W469-A559 HydrophobicContact CB-CB 4.45Å; W469-A559 HydrophobicContact CD2-CB 3.5Å; W469-A559 VanDerWaalsContact CD2-CB 3.5Å; W469-A559 HydrophobicContact CE3-CB 3.65Å; W469-A559 HydrophobicContact CG-CB 3.87Å; W469-A559 HydrophobicContact CZ2-CB 4.4Å; W469-A559 HydrophobicContact CZ3-CB 4.17Å |
| 470 | H | 88 | Confident | 93.1 | Very high | 25 Ų | 25 | 8 Ų | 8 | 12% | 0.116 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 171.7 | 176.5 | 67.8 | -68.6 | 0 | 0 | 0 | 111.5 | C468 L523 Y557 H558 | C468-H470 PolarHBondContact O-N 2.85Å; C468-H470 PolarHBondContact O-ND1 3.09Å; H470-L523 HydrophobicContact CB-CD2 3.75Å; H470-L523 HydrophobicContact CB-CG 4.18Å; H470-L523 VanDerWaalsContact CD2-CD2 3.49Å; H470-L523 WeakPolarHBondContact CD2-CD2 3.46Å; H470-Y557 CarbonylContact O-C 3.42Å; H470-Y557 VanDerWaalsContact O-CA 3.31Å; H470-Y557 WeakPolarHBondContact O-CA 3.48Å; H470-H558 AromaticContact CE1-CD2 3.65Å; H470-H558 AromaticContact CE1-CE1 3.89Å; H470-H558 AromaticContact CE1-NE2 3.26Å; H470-H558 PolarHBondContact CE1-NE2 3.41Å; H470-H558 VanDerWaalsContact CE1-NE2 3.26Å; H470-H558 PolarHBondContact N-O 2.83Å; H470-H558 PolarHBondContact ND1-O 2.89Å; H470-H558 AromaticContact NE2-CE1 3.69Å; H470-H558 AromaticContact NE2-NE2 3.3Å; H470-H558 PolarHBondContact NE2-NE2 2.62Å; H470-H558 PolarHBondContact O-N 3.4Å |
| 471 | I | 91 | Very high | 93.4 | Very high | 20 Ų | 20 | 8.1 Ų | 8.1 | 10% | 0.103 | 4% | 0.041 | C | C | . | . | trans | -123 | 156 | 165.4 | 55.6 | -175.4 | 0 | 0 | 0 | 108 | R555 Y557 | I471-R555 HydrophobicContact CD1-CG 4.42Å; I471-Y557 HydrophobicContact CG2-CD1 3.71Å; I471-Y557 HydrophobicContact CG2-CD2 3.69Å; I471-Y557 HydrophobicContact CG2-CE1 3.9Å; I471-Y557 HydrophobicContact CG2-CE2 3.89Å; I471-Y557 HydrophobicContact CG2-CG 3.6Å | ||
| 472 | E | 90.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 8.1 Ų | 8.1 | 12% | 0.121 | 4% | 0.041 | C | C | . | . | trans | -65.9 | 152 | 177.1 | -58.8 | -60.9 | 164 | 0 | 0 | 112.9 | W475 A476 S478 H558 N572 | E472-W475 WeakPolarHBondContact O-CA 3.39Å; E472-W475 PolarHBondContact O-N 2.85Å; E472-W475 VanDerWaalsContact O-N 3.08Å; E472-A476 HydrophobicContact CB-CB 3.77Å; E472-A476 HydrophobicContact CG-CB 4.46Å; E472-S478 WeakPolarHBondContact OE1-CB 3.49Å; E472-S478 PolarHBondContact OE1-OG 3.3Å; E472-S478 VanDerWaalsContact OE1-OG 3.04Å; E472-H558 IonicContact OE1-CE1 3.88Å; E472-H558 PolarHBondContact OE1-CE1 2.72Å; E472-H558 VanDerWaalsContact OE1-CE1 3.3Å; E472-H558 IonicContact OE1-NE2 2.74Å; E472-N572 VanDerWaalsContact CD-ND2 3.3Å; E472-N572 PolarHBondContact OE2-ND2 3.01Å | ||
| 473 | D | 85.9 | Confident | 93.3 | Very high | 47 Ų | 47 | 8.7 Ų | 8.7 | 25% | 0.251 | 4% | 0.043 | S | C | . | . | G | 310 helix | trans | -59.8 | 139.7 | 172.4 | -98.2 | -51.5 | 0 | 0 | 0 | 111.2 | I453 W475 A476 R594 V597 | I453-D473 HydrophobicContact CD1-CB 3.8Å; D473-W475 PolarHBondContact O-N 3.3Å; D473-W475 VanDerWaalsContact O-N 3.09Å; D473-A476 WeakPolarHBondContact O-CB 3.33Å; D473-A476 PolarHBondContact O-N 2.65Å; D473-A476 VanDerWaalsContact O-N 3.08Å; D473-R594 IonicContact OD1-CZ 3.36Å; D473-R594 IonicContact OD1-NH1 2.74Å; D473-R594 PolarHBondContact OD1-NH1 3.23Å; D473-R594 IonicContact OD1-NH2 3.16Å; D473-R594 PolarHBondContact OD1-NH2 3.31Å; D473-R594 IonicContact OD2-NH2 3.63Å; D473-V597 HydrophobicContact CB-CG2 4.22Å |
| 474 | H | 91 | Very high | 93 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | 50.4 | 26.3 | -170.4 | -60.5 | -99.1 | 0 | 0 | 0 | 114.9 | A476 W578 C585 Y589 V597 F598 | H474-A476 PolarHBondContact O-N 2.74Å; H474-W578 HydrophobicContact CB-CZ2 3.87Å; H474-W578 PolarHBondContact O-NE1 2.88Å; H474-C585 VanDerWaalsContact CA-SG 3.5Å; H474-Y589 PolarHBondContact N-OH 3.12Å; H474-V597 PolarHBondContact NE2-N 3.42Å; H474-F598 HydrophobicContact CB-CZ 4.39Å; H474-F598 AromaticContact CD2-CD1 3.82Å; H474-F598 AromaticContact CD2-CE1 3.26Å; H474-F598 WeakPolarHBondContact CD2-CE1 3.48Å; H474-F598 AromaticContact CD2-CZ 3.72Å; H474-F598 AromaticContact CE1-CD1 3.97Å; H474-F598 AromaticContact CE1-CE1 3.85Å; H474-F598 AromaticContact CE1-CZ 3.88Å; H474-F598 PolarHBondContact CE1-O 3.3Å; H474-F598 AromaticContact CG-CE1 3.89Å; H474-F598 AromaticContact CG-CZ 3.85Å; H474-F598 AromaticContact ND1-CZ 3.99Å; H474-F598 AromaticContact NE2-CD1 3.3Å; H474-F598 VanDerWaalsContact NE2-CD1 3.3Å; H474-F598 WeakPolarHBondContact NE2-CD1 3.21Å; H474-F598 AromaticContact NE2-CE1 3.23Å; H474-F598 WeakPolarHBondContact NE2-CE1 3.27Å; H474-F598 AromaticContact NE2-CG 3.87Å; H474-F598 AromaticContact NE2-CZ 3.73Å |
| 475 | W | 94.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 13.2 Ų | 13.2 | 4% | 0.038 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | 52.5 | 39.5 | -174 | -58.8 | -12.5 | 0 | 0 | 0 | 112.5 | E472 D473 P554 R555 T581 E584 C585 N588 | E472-W475 WeakPolarHBondContact O-CA 3.39Å; E472-W475 PolarHBondContact O-N 2.85Å; E472-W475 VanDerWaalsContact O-N 3.08Å; D473-W475 PolarHBondContact O-N 3.3Å; D473-W475 VanDerWaalsContact O-N 3.09Å; W475-P554 VanDerWaalsContact O-CA 3.32Å; W475-P554 WeakPolarHBondContact O-CA 3.39Å; W475-P554 VanDerWaalsContact O-CB 3.23Å; W475-P554 WeakPolarHBondContact O-CB 3.14Å; W475-R555 HydrophobicContact CB-CB 4.22Å; W475-R555 HydrophobicContact CD2-CB 3.83Å; W475-R555 HydrophobicContact CD2-CG 3.8Å; W475-R555 HydrophobicContact CE3-CB 4.22Å; W475-R555 HydrophobicContact CE3-CG 4.35Å; W475-R555 HydrophobicContact CG-CB 3.81Å; W475-R555 HydrophobicContact CG-CG 4.05Å; W475-R555 HydrophobicContact CZ2-CG 4.14Å; W475-T581 HydrophobicContact CB-CG2 4.45Å; W475-T581 HydrophobicContact CE3-CG2 4.16Å; W475-E584 HydrophobicContact CZ3-CB 3.89Å; W475-C585 HydrophobicContact CB-CB 4.2Å; W475-C585 HydrophobicContact CD2-CB 3.58Å; W475-C585 VanDerWaalsContact CD2-SG 3.53Å; W475-C585 HydrophobicContact CE3-CB 3.7Å; W475-C585 HydrophobicContact CG-CB 3.82Å; W475-C585 HydrophobicContact CZ3-CB 4.28Å; W475-C585 PolarHBondContact NE1-SG 3.5Å; W475-N588 HydrophobicContact CH2-CB 3.88Å; W475-N588 HydrophobicContact CZ2-CB 3.73Å |
| 476 | A | 94.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | trans | -54.7 | 162.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E472 D473 H474 N572 F574 | E472-A476 HydrophobicContact CB-CB 3.77Å; E472-A476 HydrophobicContact CG-CB 4.46Å; D473-A476 WeakPolarHBondContact O-CB 3.33Å; D473-A476 PolarHBondContact O-N 2.65Å; D473-A476 VanDerWaalsContact O-N 3.08Å; H474-A476 PolarHBondContact O-N 2.74Å; A476-N572 HydrophobicContact CB-CB 3.94Å; A476-F574 HydrophobicContact CB-CD1 4.06Å; A476-F574 HydrophobicContact CB-CE1 3.63Å | ||
| 477 | Y | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 152.9 | 148.1 | -75.5 | -103.7 | 0 | 0 | 0 | 108.9 | K35 L551 T552 F553 P554 N572 L573 P575 D577 | K35-Y477 WeakPolarHBondContact CD-OH 3.15Å; K35-Y477 WeakPolarHBondContact CG-OH 3.44Å; K35-Y477 PolarHBondContact NZ-OH 3.35Å; Y477-L551 HydrophobicContact CD1-CD1 4.06Å; Y477-L551 HydrophobicContact CD1-CD2 4.41Å; Y477-L551 HydrophobicContact CD1-CG 4.29Å; Y477-L551 HydrophobicContact CE1-CD2 4.49Å; Y477-T552 WeakPolarHBondContact CD1-O 3.45Å; Y477-F553 HydrophobicContact CD1-CD1 4.31Å; Y477-F553 AromaticContact CE1-CD1 3.49Å; Y477-F553 HydrophobicContact CE1-CD1 3.49Å; Y477-F553 VanDerWaalsContact CE1-CD1 3.49Å; Y477-F553 AromaticContact CE1-CE1 3.89Å; Y477-F553 HydrophobicContact CE1-CE1 3.89Å; Y477-P554 HydrophobicContact CD2-CG 3.55Å; Y477-P554 VanDerWaalsContact CE2-CD 3.43Å; Y477-P554 HydrophobicContact CE2-CG 3.29Å; Y477-P554 HydrophobicContact CG-CG 4.27Å; Y477-P554 VanDerWaalsContact CZ-CD 3.45Å; Y477-N572 CarbonylContact O-C 3.53Å; Y477-N572 VanDerWaalsContact O-CA 3.27Å; Y477-N572 WeakPolarHBondContact O-CA 3.33Å; Y477-N572 PolarHBondContact O-ND2 3.46Å; Y477-L573 WeakPolarHBondContact CB-O 3.31Å; Y477-L573 PolarHBondContact N-O 3.44Å; Y477-L573 PolarHBondContact O-N 2.69Å; Y477-P575 VanDerWaalsContact CD2-CD 3.48Å; Y477-P575 HydrophobicContact CD2-CG 3.79Å; Y477-P575 HydrophobicContact CE2-CG 3.92Å; Y477-P575 HydrophobicContact CG-CG 4.29Å; Y477-D577 PolarHBondContact OH-OD2 3.32Å; Y477-D577 VanDerWaalsContact OH-OD2 3.07Å |
| 478 | S | 95.8 | Very high | 93 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 6% | 0.056 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.1 | 164.3 | 165.8 | 0 | 0 | 0 | 0 | 109.6 | E472 T552 | E472-S478 WeakPolarHBondContact OE1-CB 3.49Å; E472-S478 PolarHBondContact OE1-OG 3.3Å; E472-S478 VanDerWaalsContact OE1-OG 3.04Å; S478-T552 WeakPolarHBondContact CB-OG1 3.44Å; S478-T552 PolarHBondContact N-OG1 3.37Å; S478-T552 PolarHBondContact O-N 3.26Å; S478-T552 PolarHBondContact O-OG1 3.43Å |
| 479 | I | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126 | 176.8 | -174.2 | 167.2 | 0 | 0 | 0 | 108.7 | F31 W430 L432 L435 F549 V550 L551 A570 V571 L573 | F31-I479 HydrophobicContact CE1-CD1 4.07Å; F31-I479 HydrophobicContact CZ-CD1 3.79Å; W430-I479 HydrophobicContact CE3-CD1 4.34Å; W430-I479 HydrophobicContact CZ3-CD1 4.01Å; L432-I479 HydrophobicContact CD2-CG1 4.43Å; L432-I479 HydrophobicContact CD2-CG2 3.64Å; L435-I479 HydrophobicContact CD2-CD1 4.14Å; L435-I479 HydrophobicContact CD2-CG2 3.92Å; I479-F549 HydrophobicContact CD1-CB 4.44Å; I479-F549 HydrophobicContact CD1-CD1 3.69Å; I479-F549 HydrophobicContact CD1-CE1 4.23Å; I479-F549 HydrophobicContact CD1-CG 4.3Å; I479-F549 HydrophobicContact CG1-CB 4.42Å; I479-F549 HydrophobicContact CG1-CD1 3.79Å; I479-V550 WeakPolarHBondContact CA-O 3.37Å; I479-L551 HydrophobicContact CB-CD1 4.05Å; I479-L551 HydrophobicContact CG1-CD1 4.45Å; I479-A570 VanDerWaalsContact O-CA 3.24Å; I479-A570 WeakPolarHBondContact O-CA 3.42Å; I479-V571 HydrophobicContact CG2-CG1 4.05Å; I479-V571 PolarHBondContact N-O 2.88Å; I479-V571 VanDerWaalsContact N-O 3.07Å; I479-V571 PolarHBondContact O-N 2.97Å; I479-V571 VanDerWaalsContact O-N 3.12Å; I479-L573 HydrophobicContact CB-CD1 4.25Å; I479-L573 HydrophobicContact CG2-CD1 3.68Å; I479-L573 HydrophobicContact CG2-CD2 4.49Å; I479-L573 HydrophobicContact CG2-CG 4.01Å |
| 480 | N | 97.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.6 | 177.4 | 179.9 | -78.4 | 0 | 0 | 0 | 109.6 | W490 Q544 F549 V550 E569 A570 | N480-W490 HydrophobicContact CB-CH2 3.73Å; N480-W490 HydrophobicContact CB-CZ2 3.65Å; N480-Q544 PolarHBondContact O-NE2 3.5Å; N480-Q544 PolarHBondContact OD1-NE2 3.46Å; N480-Q544 PolarHBondContact OD1-OE1 2.89Å; N480-F549 CarbonylContact O-C 3.49Å; N480-F549 WeakPolarHBondContact O-CA 3.47Å; N480-V550 PolarHBondContact N-O 3.37Å; N480-V550 PolarHBondContact O-N 2.66Å; N480-E569 CarbonylContact C-O 3.56Å; N480-E569 WeakPolarHBondContact CA-O 3.29Å; N480-A570 HydrophobicContact CB-CB 4.18Å |
| 481 | Y | 96.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.1 | 170.6 | -175.8 | -107.2 | 0 | 0 | 0 | 109.9 | W52 P54 F396 H483 G547 F549 A568 E569 | W52-Y481 AromaticContact NE1-CE2 3.88Å; P54-Y481 WeakPolarHBondContact CD-OH 3.34Å; P54-Y481 HydrophobicContact CG-CE1 4.07Å; P54-Y481 VanDerWaalsContact CG-OH 3.25Å; P54-Y481 WeakPolarHBondContact CG-OH 3.48Å; F396-Y481 HydrophobicContact CE1-CD1 4.14Å; F396-Y481 HydrophobicContact CE1-CE1 4.18Å; F396-Y481 AromaticContact CE2-CD1 3.99Å; F396-Y481 HydrophobicContact CE2-CD1 3.99Å; F396-Y481 HydrophobicContact CE2-CG 4.35Å; F396-Y481 AromaticContact CZ-CD1 3.43Å; F396-Y481 HydrophobicContact CZ-CD1 3.43Å; F396-Y481 VanDerWaalsContact CZ-CD1 3.43Å; F396-Y481 HydrophobicContact CZ-CD2 4.42Å; F396-Y481 AromaticContact CZ-CE1 3.93Å; F396-Y481 HydrophobicContact CZ-CE1 3.93Å; F396-Y481 AromaticContact CZ-CG 3.7Å; F396-Y481 HydrophobicContact CZ-CG 3.7Å; Y481-H483 HydrophobicContact CD1-CB 4.48Å; Y481-H483 AromaticContact CD1-CE1 3.63Å; Y481-H483 AromaticContact CD1-CG 3.76Å; Y481-H483 AromaticContact CD1-ND1 3.51Å; Y481-H483 AromaticContact CD1-NE2 3.96Å; Y481-H483 HydrophobicContact CE1-CB 4.4Å; Y481-H483 AromaticContact CE1-CE1 3.87Å; Y481-H483 AromaticContact CE1-CG 3.9Å; Y481-H483 AromaticContact CE1-ND1 3.39Å; Y481-H483 WeakPolarHBondContact CE1-ND1 3.48Å; Y481-G547 WeakPolarHBondContact CE2-O 3.36Å; Y481-F549 AromaticContact CD2-CD1 3.62Å; Y481-F549 HydrophobicContact CD2-CD1 3.62Å; Y481-F549 AromaticContact CD2-CD2 3.75Å; Y481-F549 HydrophobicContact CD2-CD2 3.75Å; Y481-F549 AromaticContact CD2-CE1 3.48Å; Y481-F549 HydrophobicContact CD2-CE1 3.48Å; Y481-F549 VanDerWaalsContact CD2-CE1 3.48Å; Y481-F549 AromaticContact CD2-CE2 3.6Å; Y481-F549 HydrophobicContact CD2-CE2 3.6Å; Y481-F549 AromaticContact CD2-CG 3.77Å; Y481-F549 HydrophobicContact CD2-CG 3.77Å; Y481-F549 AromaticContact CD2-CZ 3.46Å; Y481-F549 HydrophobicContact CD2-CZ 3.46Å; Y481-F549 VanDerWaalsContact CD2-CZ 3.46Å; Y481-F549 HydrophobicContact CE2-CD2 4.15Å; Y481-F549 HydrophobicContact CE2-CE1 4.37Å; Y481-F549 AromaticContact CE2-CE2 3.77Å; Y481-F549 HydrophobicContact CE2-CE2 3.77Å; Y481-F549 AromaticContact CE2-CZ 3.9Å; Y481-F549 HydrophobicContact CE2-CZ 3.9Å; Y481-F549 HydrophobicContact CG-CD1 4.12Å; Y481-F549 AromaticContact CG-CE1 3.88Å; Y481-F549 HydrophobicContact CG-CE1 3.88Å; Y481-F549 HydrophobicContact CG-CZ 4.19Å; Y481-A568 CarbonylContact O-C 3.57Å; Y481-A568 VanDerWaalsContact O-CA 3.29Å; Y481-A568 WeakPolarHBondContact O-CA 3.39Å; Y481-E569 PolarHBondContact N-O 3.4Å; Y481-E569 PolarHBondContact O-N 3.24Å |
| 482 | L | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 104 | 174 | -169 | 62.7 | 0 | 0 | 0 | 108.5 | R488 Q544 G547 Q548 N566 A568 | L482-R488 HydrophobicContact CD2-CB 4.39Å; L482-Q544 HydrophobicContact CB-CG 3.9Å; L482-Q544 HydrophobicContact CD2-CG 4.16Å; L482-Q544 WeakPolarHBondContact CD2-O 3.14Å; L482-G547 PolarHBondContact O-N 2.69Å; L482-Q548 PolarHBondContact N-O 3Å; L482-N566 HydrophobicContact CD1-CB 3.97Å; L482-A568 HydrophobicContact CD1-CB 3.76Å |
| 483 | H | 90.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 13.6 Ų | 13.6 | 7% | 0.074 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | -50.9 | -175.4 | -76.8 | -78.5 | 0 | 0 | 0 | 111.9 | F396 Y481 C567 E569 | F396-H483 AromaticContact CD2-CE1 3.44Å; F396-H483 VanDerWaalsContact CD2-CE1 3.44Å; F396-H483 WeakPolarHBondContact CD2-CE1 3.49Å; F396-H483 AromaticContact CD2-NE2 3.71Å; F396-H483 AromaticContact CE2-CE1 3.46Å; F396-H483 VanDerWaalsContact CE2-CE1 3.46Å; F396-H483 WeakPolarHBondContact CE2-CE1 3.43Å; F396-H483 AromaticContact CE2-NE2 3.64Å; F396-H483 AromaticContact CG-CE1 3.77Å; F396-H483 AromaticContact CZ-CE1 3.84Å; F396-H483 PolarHBondContact N-CE1 2.64Å; Y481-H483 HydrophobicContact CD1-CB 4.48Å; Y481-H483 AromaticContact CD1-CE1 3.63Å; Y481-H483 AromaticContact CD1-CG 3.76Å; Y481-H483 AromaticContact CD1-ND1 3.51Å; Y481-H483 AromaticContact CD1-NE2 3.96Å; Y481-H483 HydrophobicContact CE1-CB 4.4Å; Y481-H483 AromaticContact CE1-CE1 3.87Å; Y481-H483 AromaticContact CE1-CG 3.9Å; Y481-H483 AromaticContact CE1-ND1 3.39Å; Y481-H483 WeakPolarHBondContact CE1-ND1 3.48Å; H483-C567 WeakPolarHBondContact CB-O 3.3Å; H483-C567 PolarHBondContact N-O 3.16Å; H483-E569 IonicContact CD2-OE2 2.71Å; H483-E569 IonicContact CE1-OE2 3.08Å; H483-E569 WeakPolarHBondContact NE2-CB 3.44Å; H483-E569 IonicContact NE2-OE2 3.83Å; H483-E569 PolarHBondContact NE2-OE2 2.95Å |
| 484 | W | 88.6 | Confident | 95.3 | Very high | 59 Ų | 59 | 11.5 Ų | 11.5 | 22% | 0.223 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 161.8 | -177.1 | 55.4 | -99.6 | 0 | 0 | 0 | 112.1 | I333 S546 L565 N566 C567 | I333-W484 HydrophobicContact CD1-CZ2 4.18Å; I333-W484 HydrophobicContact CG2-CH2 3.96Å; I333-W484 HydrophobicContact CG2-CZ2 4.42Å; W484-S546 VanDerWaalsContact C-OG 3.24Å; W484-S546 VanDerWaalsContact CA-OG 3.26Å; W484-S546 WeakPolarHBondContact CA-OG 3.31Å; W484-L565 HydrophobicContact CH2-CD2 4.41Å; W484-L565 HydrophobicContact CZ3-CD2 3.95Å; W484-L565 HydrophobicContact CZ3-CG 4.04Å; W484-N566 WeakPolarHBondContact O-CA 3.41Å; W484-N566 WeakPolarHBondContact O-CB 3.46Å; W484-C567 HydrophobicContact CD2-CB 3.75Å; W484-C567 HydrophobicContact CE3-CB 4.25Å; W484-C567 HydrophobicContact CG-CB 4.3Å; W484-C567 HydrophobicContact CH2-CB 3.93Å; W484-C567 HydrophobicContact CZ2-CB 3.38Å; W484-C567 HydrophobicContact CZ3-CB 4.33Å; W484-C567 PolarHBondContact O-N 3.47Å |
| 485 | G | 89.3 | Confident | 95.5 | Very high | 35 Ų | 35 | 13 Ų | 13 | 36% | 0.361 | 7% | 0.074 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 105 | -163.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S546 L565 | G485-S546 PolarHBondContact N-OG 3.36Å; G485-S546 PolarHBondContact O-OG 2.89Å; G485-L565 WeakPolarHBondContact CA-O 3.47Å |
| 486 | E | 92.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 18.1 Ų | 18.1 | 31% | 0.313 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -71 | 158.4 | -178.3 | -67.7 | -150.3 | -110.5 | 0 | 0 | 113.1 | K344 H563 G564 L565 N566 | K344-E486 IonicContact NZ-OE1 2.82Å; K344-E486 PolarHBondContact NZ-OE1 3.35Å; K344-E486 IonicContact NZ-OE2 2.67Å; K344-E486 PolarHBondContact NZ-OE2 3.32Å; E486-H563 HydrophobicContact CB-CB 4.37Å; E486-G564 WeakPolarHBondContact OE1-CA 3.19Å; E486-L565 PolarHBondContact N-O 3.36Å; E486-N566 VanDerWaalsContact O-CB 3.25Å; E486-N566 WeakPolarHBondContact O-CB 3.19Å; E486-N566 PolarHBondContact O-ND2 3.25Å |
| 487 | P | 95.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 19 Ų | 19 | 15% | 0.149 | 10% | 0.103 | C | C | . | . | trans | -59.9 | 162.6 | -173.5 | -24.2 | 33.9 | 0 | 0 | 0 | 114.7 | M543 Q544 E545 H563 N566 | P487-M543 HydrophobicContact CB-CG 3.76Å; P487-M543 HydrophobicContact CB-SD 4.21Å; P487-Q544 VanDerWaalsContact CA-O 3.3Å; P487-Q544 WeakPolarHBondContact CA-O 3.23Å; P487-E545 WeakPolarHBondContact CG-OE2 3.43Å; P487-H563 WeakPolarHBondContact O-CB 3.18Å; P487-H563 PolarHBondContact O-CD2 3.12Å; P487-H563 VanDerWaalsContact O-CD2 3.25Å; P487-H563 PolarHBondContact O-N 3.11Å; P487-N566 PolarHBondContact O-ND2 3.04Å | ||
| 488 | R | 97.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.3 | 169.3 | 179.6 | 176.7 | -72 | -157.6 | 0.9 | 109.4 | F467 L482 Q544 N562 | F467-R488 HydrophobicContact CE1-CG 3.98Å; F467-R488 HydrophobicContact CZ-CG 4.39Å; L482-R488 HydrophobicContact CD2-CB 4.39Å; R488-Q544 HydrophobicContact CB-CB 4.38Å; R488-Q544 PolarHBondContact N-O 2.9Å; R488-Q544 PolarHBondContact O-N 3.48Å; R488-N562 VanDerWaalsContact CZ-OD1 3.29Å; R488-N562 PolarHBondContact NE-OD1 3.07Å; R488-N562 PolarHBondContact NH2-OD1 3.29Å; R488-N562 VanDerWaalsContact NH2-OD1 3.11Å |
| 489 | T | 98.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 127.9 | 170.6 | -71.4 | 0 | 0 | 0 | 0 | 109.3 | Y491 G560 F561 H563 | T489-Y491 HydrophobicContact CG2-CE1 3.96Å; T489-Y491 HydrophobicContact CG2-CE2 4.05Å; T489-G560 CarbonylContact O-C 3.56Å; T489-G560 WeakPolarHBondContact O-CA 3.1Å; T489-F561 VanDerWaalsContact CB-CE1 3.48Å; T489-F561 HydrophobicContact CG2-CD1 4.43Å; T489-F561 HydrophobicContact CG2-CE1 3.78Å; T489-F561 HydrophobicContact CG2-CZ 4.45Å; T489-F561 PolarHBondContact N-O 2.97Å; T489-F561 PolarHBondContact O-N 3.32Å; T489-H563 PolarHBondContact OG1-NE2 3.1Å |
| 490 | W | 98.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.1 | 172.4 | -65.5 | 73.2 | 0 | 0 | 0 | 110.5 | I43 F467 N480 T541 V542 V550 T552 H558 A559 | I43-W490 HydrophobicContact CD1-CB 3.85Å; F467-W490 HydrophobicContact CE2-CD2 4.08Å; F467-W490 AromaticContact CE2-CE3 3.61Å; F467-W490 HydrophobicContact CE2-CE3 3.61Å; F467-W490 HydrophobicContact CE2-CH2 4.22Å; F467-W490 AromaticContact CE2-CZ3 3.71Å; F467-W490 HydrophobicContact CE2-CZ3 3.71Å; F467-W490 AromaticContact CZ-CD2 3.63Å; F467-W490 HydrophobicContact CZ-CD2 3.63Å; F467-W490 AromaticContact CZ-CE2 3.86Å; F467-W490 AromaticContact CZ-CE3 3.67Å; F467-W490 HydrophobicContact CZ-CE3 3.67Å; F467-W490 HydrophobicContact CZ-CG 4.18Å; F467-W490 HydrophobicContact CZ-CH2 4.15Å; F467-W490 HydrophobicContact CZ-CZ2 4.11Å; F467-W490 AromaticContact CZ-CZ3 3.95Å; F467-W490 HydrophobicContact CZ-CZ3 3.95Å; N480-W490 HydrophobicContact CB-CH2 3.73Å; N480-W490 HydrophobicContact CB-CZ2 3.65Å; W490-T541 CarbonylContact O-C 3.47Å; W490-T541 VanDerWaalsContact O-CA 3.24Å; W490-T541 WeakPolarHBondContact O-CA 3.33Å; W490-T541 PolarHBondContact O-OG1 3Å; W490-V542 HydrophobicContact CB-CG1 4.11Å; W490-V542 PolarHBondContact N-O 3.4Å; W490-V542 PolarHBondContact O-N 3.1Å; W490-V550 HydrophobicContact CD2-CB 4.41Å; W490-V550 HydrophobicContact CD2-CG1 3.97Å; W490-V550 HydrophobicContact CD2-CG2 4.48Å; W490-V550 HydrophobicContact CE3-CG1 4.1Å; W490-V550 HydrophobicContact CG-CG1 4.38Å; W490-V550 HydrophobicContact CG-CG2 4.44Å; W490-V550 HydrophobicContact CZ2-CB 4.31Å; W490-V550 HydrophobicContact CZ3-CG1 4.43Å; W490-T552 HydrophobicContact CZ3-CG2 4.11Å; W490-H558 AromaticContact CZ3-CD2 3.58Å; W490-A559 CarbonylContact C-O 3.54Å; W490-A559 WeakPolarHBondContact CA-O 3.46Å |
| 491 | Y | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.9 | 164.8 | -50.1 | -78.3 | 0 | 0 | 0 | 108.7 | P11 E365 W369 T489 P529 Y540 H558 A559 F561 | P11-Y491 HydrophobicContact CG-CD1 4.08Å; P11-Y491 HydrophobicContact CG-CE1 4.35Å; E365-Y491 PolarHBondContact OE1-OH 3.07Å; W369-Y491 HydrophobicContact CZ2-CD2 4.24Å; W369-Y491 AromaticContact CZ2-CE2 3.61Å; W369-Y491 HydrophobicContact CZ2-CE2 3.61Å; W369-Y491 AromaticContact CZ2-CZ 3.86Å; W369-Y491 AromaticContact NE1-CZ 3.55Å; W369-Y491 PolarHBondContact NE1-OH 2.61Å; T489-Y491 HydrophobicContact CG2-CE1 3.96Å; T489-Y491 HydrophobicContact CG2-CE2 4.05Å; Y491-P529 HydrophobicContact CD1-CG 3.86Å; Y491-P529 HydrophobicContact CE1-CG 4.06Å; Y491-P529 HydrophobicContact CG-CG 4.1Å; Y491-Y540 CarbonylContact C-O 3.59Å; Y491-Y540 VanDerWaalsContact CA-O 3.27Å; Y491-Y540 WeakPolarHBondContact CA-O 3.5Å; Y491-H558 WeakPolarHBondContact O-CA 3.43Å; Y491-H558 WeakPolarHBondContact O-CB 3.27Å; Y491-A559 PolarHBondContact N-O 3.25Å; Y491-A559 PolarHBondContact O-N 3.27Å; Y491-A559 VanDerWaalsContact O-N 3.09Å; Y491-F561 HydrophobicContact CE2-CD1 4.3Å; Y491-F561 HydrophobicContact CE2-CE1 4.46Å; Y491-F561 WeakPolarHBondContact OH-CE1 3.43Å |
| 492 | G | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I539 Y540 Y557 | G492-I539 WeakPolarHBondContact O-CA 3.44Å; G492-Y540 PolarHBondContact N-O 3.41Å; G492-Y540 PolarHBondContact O-N 2.85Å; G492-Y557 CarbonylContact C-O 3.55Å |
| 493 | V | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132.8 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 106.8 | W469 E497 F501 V537 I539 A556 Y557 | W469-V493 HydrophobicContact CH2-CG2 4.09Å; W469-V493 HydrophobicContact CZ3-CG2 3.98Å; V493-E497 HydrophobicContact CG1-CB 3.63Å; V493-F501 HydrophobicContact CG1-CB 4.07Å; V493-F501 HydrophobicContact CG1-CG 4.44Å; V493-F501 HydrophobicContact CG2-CD2 4Å; V493-F501 HydrophobicContact CG2-CE2 4.49Å; V493-V537 HydrophobicContact CG1-CG1 4.2Å; V493-V537 HydrophobicContact CG2-CG1 4.33Å; V493-I539 HydrophobicContact CG2-CB 4.45Å; V493-I539 HydrophobicContact CG2-CG1 3.63Å; V493-A556 CarbonylContact O-C 3.51Å; V493-A556 WeakPolarHBondContact O-CA 3.44Å; V493-A556 WeakPolarHBondContact O-CB 3.39Å; V493-Y557 PolarHBondContact N-O 3.27Å; V493-Y557 PolarHBondContact O-N 3.22Å |
| 494 | S | 97.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | -77.2 | 159.6 | -179.1 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | E39 K40 M496 E497 A498 | E39-S494 WeakPolarHBondContact O-CB 3.43Å; K40-S494 VanDerWaalsContact C-CB 3.43Å; K40-S494 WeakPolarHBondContact O-CB 3.39Å; K40-S494 PolarHBondContact O-OG 3.25Å; S494-M496 PolarHBondContact O-N 2.92Å; S494-M496 VanDerWaalsContact O-N 3.16Å; S494-E497 PolarHBondContact O-N 3.41Å; S494-A498 PolarHBondContact O-N 3.4Å; S494-A498 VanDerWaalsContact O-N 3.15Å | ||
| 495 | S | 94.8 | Very high | 94.7 | Very high | 33 Ų | 33 | 28.5 Ų | 28.5 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -48.7 | -37.6 | 171.3 | 50.5 | 0 | 0 | 0 | 0 | 113 | E497 A498 P554 | S495-E497 PolarHBondContact O-N 3.4Å; S495-A498 WeakPolarHBondContact O-CB 3.48Å; S495-A498 PolarHBondContact O-N 2.9Å; S495-P554 WeakPolarHBondContact CB-O 3.4Å |
| 496 | M | 94.5 | Very high | 94.5 | Very high | 117 Ų | 117 | 31.3 Ų | 31.3 | 58% | 0.576 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -61.7 | -26.7 | 177.1 | -54.9 | 173.9 | -168.9 | 0 | 0 | 113.5 | K40 S494 | K40-M496 HydrophobicContact CB-CE 4.19Å; K40-M496 HydrophobicContact CB-SD 3.98Å; S494-M496 PolarHBondContact O-N 2.92Å; S494-M496 VanDerWaalsContact O-N 3.16Å |
| 497 | E | 96.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 9% | 0.089 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -104.3 | -7.3 | -178.8 | -62.9 | -73.7 | 114.5 | 0 | 0 | 112.5 | V493 S494 S495 T499 K500 F501 N538 | V493-E497 HydrophobicContact CG1-CB 3.63Å; S494-E497 PolarHBondContact O-N 3.41Å; S495-E497 PolarHBondContact O-N 3.4Å; E497-T499 PolarHBondContact O-N 2.95Å; E497-K500 WeakPolarHBondContact O-CA 3.32Å; E497-K500 WeakPolarHBondContact O-CB 3.44Å; E497-K500 PolarHBondContact O-N 2.96Å; E497-K500 IonicContact OE1-NZ 2.65Å; E497-K500 PolarHBondContact OE1-NZ 3.01Å; E497-K500 WeakPolarHBondContact OE2-CD 3.49Å; E497-K500 IonicContact OE2-NZ 2.8Å; E497-K500 PolarHBondContact OE2-NZ 3.19Å; E497-F501 PolarHBondContact O-N 3.49Å; E497-N538 VanDerWaalsContact CD-ND2 3.31Å; E497-N538 HydrophobicContact CG-CB 4.14Å; E497-N538 PolarHBondContact OE2-N 3.45Å; E497-N538 PolarHBondContact OE2-ND2 2.63Å |
| 498 | A | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.2 | -48.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S494 S495 K500 F501 E502 R555 Y557 | S494-A498 PolarHBondContact O-N 3.4Å; S494-A498 VanDerWaalsContact O-N 3.15Å; S495-A498 WeakPolarHBondContact O-CB 3.48Å; S495-A498 PolarHBondContact O-N 2.9Å; A498-K500 VanDerWaalsContact C-N 3.33Å; A498-K500 PolarHBondContact O-N 2.81Å; A498-F501 WeakPolarHBondContact O-CB 3.39Å; A498-F501 PolarHBondContact O-N 3.27Å; A498-F501 VanDerWaalsContact O-N 3.16Å; A498-E502 WeakPolarHBondContact O-CB 3.29Å; A498-E502 WeakPolarHBondContact O-CG 3.41Å; A498-E502 PolarHBondContact O-N 3.44Å; A498-R555 HydrophobicContact CB-CG 4.26Å; A498-Y557 HydrophobicContact CB-CD2 4.07Å; A498-Y557 HydrophobicContact CB-CE2 4.18Å |
| 499 | T | 91.8 | Very high | 92.9 | Very high | 78 Ų | 78 | 31.8 Ų | 31.8 | 48% | 0.479 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70 | -26.1 | 178.7 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | E497 E502 T503 R555 | E497-T499 PolarHBondContact O-N 2.95Å; T499-E502 PolarHBondContact OG1-OE2 2.84Å; T499-T503 WeakPolarHBondContact O-CB 3.46Å; T499-T503 PolarHBondContact O-N 3.37Å; T499-T503 VanDerWaalsContact O-N 3.16Å; T499-T503 PolarHBondContact O-OG1 3.43Å; T499-R555 PolarHBondContact OG1-NH2 3.42Å |
| 500 | K | 95.3 | Very high | 92.2 | Very high | 106 Ų | 106 | 34.8 Ų | 34.8 | 46% | 0.461 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.6 | -42.6 | 169.5 | -59.5 | 172.5 | 178 | 174.7 | 0 | 110.8 | E497 A498 T503 A504 V537 | E497-K500 WeakPolarHBondContact O-CA 3.32Å; E497-K500 WeakPolarHBondContact O-CB 3.44Å; E497-K500 PolarHBondContact O-N 2.96Å; E497-K500 IonicContact OE1-NZ 2.65Å; E497-K500 PolarHBondContact OE1-NZ 3.01Å; E497-K500 WeakPolarHBondContact OE2-CD 3.49Å; E497-K500 IonicContact OE2-NZ 2.8Å; E497-K500 PolarHBondContact OE2-NZ 3.19Å; A498-K500 VanDerWaalsContact C-N 3.33Å; A498-K500 PolarHBondContact O-N 2.81Å; K500-T503 PolarHBondContact O-N 3.26Å; K500-A504 VanDerWaalsContact O-CB 3.3Å; K500-A504 WeakPolarHBondContact O-CB 3.45Å; K500-A504 PolarHBondContact O-N 3.32Å; K500-V537 HydrophobicContact CB-CG2 4.23Å |
| 501 | F | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -49.1 | 176 | 172 | -86.4 | 0 | 0 | 0 | 111.5 | W469 V493 E497 A498 T503 A504 M505 L520 L532 V537 Y557 | W469-F501 HydrophobicContact CB-CE1 4.44Å; W469-F501 HydrophobicContact CB-CZ 3.71Å; W469-F501 AromaticContact CD2-CE2 3.69Å; W469-F501 HydrophobicContact CD2-CE2 3.69Å; W469-F501 AromaticContact CD2-CZ 3.65Å; W469-F501 HydrophobicContact CD2-CZ 3.65Å; W469-F501 AromaticContact CE2-CE2 3.9Å; W469-F501 AromaticContact CE3-CE2 3.9Å; W469-F501 HydrophobicContact CE3-CE2 3.9Å; W469-F501 AromaticContact CE3-CZ 3.95Å; W469-F501 HydrophobicContact CE3-CZ 3.95Å; W469-F501 HydrophobicContact CG-CE2 4.04Å; W469-F501 AromaticContact CG-CZ 3.55Å; W469-F501 HydrophobicContact CG-CZ 3.55Å; W469-F501 HydrophobicContact CH2-CE2 4.47Å; W469-F501 HydrophobicContact CZ2-CE2 4.29Å; W469-F501 HydrophobicContact CZ3-CE2 4.29Å; V493-F501 HydrophobicContact CG1-CB 4.07Å; V493-F501 HydrophobicContact CG1-CG 4.44Å; V493-F501 HydrophobicContact CG2-CD2 4Å; V493-F501 HydrophobicContact CG2-CE2 4.49Å; E497-F501 PolarHBondContact O-N 3.49Å; A498-F501 WeakPolarHBondContact O-CB 3.39Å; A498-F501 PolarHBondContact O-N 3.27Å; A498-F501 VanDerWaalsContact O-N 3.16Å; F501-T503 VanDerWaalsContact C-N 3.29Å; F501-T503 PolarHBondContact O-N 3.03Å; F501-A504 PolarHBondContact O-N 2.8Å; F501-A504 VanDerWaalsContact O-N 3.16Å; F501-M505 HydrophobicContact CD1-CG 4.06Å; F501-M505 HydrophobicContact CD2-CG 4.43Å; F501-M505 HydrophobicContact CE1-CE 4.41Å; F501-M505 HydrophobicContact CE1-CG 3.63Å; F501-M505 HydrophobicContact CE1-SD 4.26Å; F501-M505 HydrophobicContact CE2-CG 4.06Å; F501-M505 HydrophobicContact CE2-SD 4.02Å; F501-M505 HydrophobicContact CG-CG 4.41Å; F501-M505 HydrophobicContact CZ-CE 3.97Å; F501-M505 HydrophobicContact CZ-CG 3.61Å; F501-M505 HydrophobicContact CZ-SD 3.65Å; F501-M505 WeakPolarHBondContact O-CB 3.3Å; F501-M505 WeakPolarHBondContact O-CG 3.26Å; F501-M505 PolarHBondContact O-N 3.34Å; F501-L520 HydrophobicContact CE1-CD2 4.02Å; F501-L532 HydrophobicContact CD2-CD1 4.12Å; F501-L532 HydrophobicContact CE2-CD1 3.67Å; F501-V537 HydrophobicContact CB-CG1 3.9Å; F501-V537 HydrophobicContact CD2-CG1 4.26Å; F501-Y557 AromaticContact CD1-CD1 3.88Å; F501-Y557 HydrophobicContact CD1-CD1 3.88Å; F501-Y557 AromaticContact CD1-CD2 3.53Å; F501-Y557 HydrophobicContact CD1-CD2 3.53Å; F501-Y557 HydrophobicContact CD1-CE1 4.15Å; F501-Y557 AromaticContact CD1-CE2 3.82Å; F501-Y557 HydrophobicContact CD1-CE2 3.82Å; F501-Y557 AromaticContact CD1-CG 3.55Å; F501-Y557 HydrophobicContact CD1-CG 3.55Å; F501-Y557 AromaticContact CE1-CD1 3.37Å; F501-Y557 HydrophobicContact CE1-CD1 3.37Å; F501-Y557 AromaticContact CE1-CD2 3.95Å; F501-Y557 HydrophobicContact CE1-CD2 3.95Å; F501-Y557 AromaticContact CE1-CE1 3.69Å; F501-Y557 HydrophobicContact CE1-CE1 3.69Å; F501-Y557 HydrophobicContact CE1-CE2 4.22Å; F501-Y557 AromaticContact CE1-CG 3.52Å; F501-Y557 HydrophobicContact CE1-CG 3.52Å; F501-Y557 HydrophobicContact CG-CD2 4.29Å; F501-Y557 HydrophobicContact CG-CG 4.33Å; F501-Y557 HydrophobicContact CZ-CD1 4.09Å; F501-Y557 HydrophobicContact CZ-CG 4.25Å |
| 502 | E | 89.8 | Confident | 89.9 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.2 | -45.8 | 175 | -69.8 | 155.5 | -153.5 | 0 | 0 | 111.3 | A498 T499 K506 L520 R555 Y557 | A498-E502 WeakPolarHBondContact O-CB 3.29Å; A498-E502 WeakPolarHBondContact O-CG 3.41Å; A498-E502 PolarHBondContact O-N 3.44Å; T499-E502 PolarHBondContact OG1-OE2 2.84Å; E502-K506 WeakPolarHBondContact O-CD 3.48Å; E502-K506 VanDerWaalsContact O-CG 3.24Å; E502-K506 WeakPolarHBondContact O-CG 3.34Å; E502-K506 PolarHBondContact O-N 3.29Å; E502-K506 VanDerWaalsContact O-N 3.14Å; E502-L520 HydrophobicContact CB-CD1 4.45Å; E502-L520 HydrophobicContact CG-CD1 4.22Å; E502-R555 IonicContact OE1-CZ 3.74Å; E502-R555 IonicContact OE1-NE 3.7Å; E502-R555 IonicContact OE1-NH2 3.56Å; E502-R555 PolarHBondContact OE1-NH2 2.71Å; E502-R555 IonicContact OE2-NH2 2.69Å; E502-Y557 HydrophobicContact CG-CE2 3.87Å |
| 503 | T | 91.8 | Very high | 88.8 | Confident | 69 Ų | 69 | 36.4 Ų | 36.4 | 42% | 0.423 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.4 | -46.6 | 175.7 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | T499 K500 F501 M505 K506 D507 | T499-T503 WeakPolarHBondContact O-CB 3.46Å; T499-T503 PolarHBondContact O-N 3.37Å; T499-T503 VanDerWaalsContact O-N 3.16Å; T499-T503 PolarHBondContact O-OG1 3.43Å; K500-T503 PolarHBondContact O-N 3.26Å; F501-T503 VanDerWaalsContact C-N 3.29Å; F501-T503 PolarHBondContact O-N 3.03Å; T503-M505 VanDerWaalsContact C-N 3.3Å; T503-M505 PolarHBondContact O-N 2.98Å; T503-K506 WeakPolarHBondContact O-CB 3.36Å; T503-K506 PolarHBondContact O-N 3.13Å; T503-K506 VanDerWaalsContact O-N 3.13Å; T503-D507 PolarHBondContact O-N 2.86Å |
| 504 | A | 92.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -34.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K500 F501 L508 L532 R535 V537 | K500-A504 VanDerWaalsContact O-CB 3.3Å; K500-A504 WeakPolarHBondContact O-CB 3.45Å; K500-A504 PolarHBondContact O-N 3.32Å; F501-A504 PolarHBondContact O-N 2.8Å; F501-A504 VanDerWaalsContact O-N 3.16Å; A504-L508 WeakPolarHBondContact O-CD1 3.11Å; A504-L508 WeakPolarHBondContact O-CG 3.42Å; A504-L508 PolarHBondContact O-N 3.1Å; A504-L532 HydrophobicContact CB-CD2 3.74Å; A504-R535 HydrophobicContact CB-CB 4.04Å; A504-R535 HydrophobicContact CB-CG 4.48Å; A504-V537 HydrophobicContact CB-CG2 3.71Å |
| 505 | M | 87.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.4 | -46.3 | 172.3 | -66.6 | -76.9 | -77.8 | 0 | 0 | 111 | W469 F501 T503 D507 L508 A509 F513 L520 T525 I527 L532 | W469-M505 HydrophobicContact CB-CE 4.27Å; W469-M505 HydrophobicContact CG-CE 4.41Å; F501-M505 HydrophobicContact CD1-CG 4.06Å; F501-M505 HydrophobicContact CD2-CG 4.43Å; F501-M505 HydrophobicContact CE1-CE 4.41Å; F501-M505 HydrophobicContact CE1-CG 3.63Å; F501-M505 HydrophobicContact CE1-SD 4.26Å; F501-M505 HydrophobicContact CE2-CG 4.06Å; F501-M505 HydrophobicContact CE2-SD 4.02Å; F501-M505 HydrophobicContact CG-CG 4.41Å; F501-M505 HydrophobicContact CZ-CE 3.97Å; F501-M505 HydrophobicContact CZ-CG 3.61Å; F501-M505 HydrophobicContact CZ-SD 3.65Å; F501-M505 WeakPolarHBondContact O-CB 3.3Å; F501-M505 WeakPolarHBondContact O-CG 3.26Å; F501-M505 PolarHBondContact O-N 3.34Å; T503-M505 VanDerWaalsContact C-N 3.3Å; T503-M505 PolarHBondContact O-N 2.98Å; M505-D507 PolarHBondContact O-N 3.21Å; M505-L508 PolarHBondContact O-N 3.02Å; M505-A509 PolarHBondContact O-N 3.26Å; M505-A509 VanDerWaalsContact O-N 3.14Å; M505-F513 VanDerWaalsContact C-CE2 3.47Å; M505-F513 HydrophobicContact CB-CE2 3.87Å; M505-F513 HydrophobicContact CB-CZ 3.68Å; M505-F513 WeakPolarHBondContact O-CE2 3.45Å; M505-L520 HydrophobicContact CE-CD2 3.58Å; M505-L520 HydrophobicContact CG-CD2 4.27Å; M505-T525 HydrophobicContact CE-CG2 4.1Å; M505-I527 HydrophobicContact CE-CB 4.45Å; M505-I527 HydrophobicContact CE-CD1 4.19Å; M505-I527 HydrophobicContact CE-CG1 3.99Å; M505-I527 HydrophobicContact SD-CB 3.75Å; M505-I527 HydrophobicContact SD-CD1 3.48Å; M505-I527 WeakPolarHBondContact SD-CD1 3.48Å; M505-I527 HydrophobicContact SD-CG1 3.61Å; M505-L532 HydrophobicContact CG-CD2 4.17Å; M505-L532 HydrophobicContact SD-CD1 4.18Å; M505-L532 HydrophobicContact SD-CD2 3.97Å |
| 506 | K | 86.3 | Confident | 84.7 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 41% | 0.409 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 175 | -72.3 | 163.2 | -175.5 | 171.3 | 0 | 111.8 | E502 T503 L508 A509 P510 F513 | E502-K506 WeakPolarHBondContact O-CD 3.48Å; E502-K506 VanDerWaalsContact O-CG 3.24Å; E502-K506 WeakPolarHBondContact O-CG 3.34Å; E502-K506 PolarHBondContact O-N 3.29Å; E502-K506 VanDerWaalsContact O-N 3.14Å; T503-K506 WeakPolarHBondContact O-CB 3.36Å; T503-K506 PolarHBondContact O-N 3.13Å; T503-K506 VanDerWaalsContact O-N 3.13Å; K506-L508 VanDerWaalsContact C-N 3.32Å; K506-L508 PolarHBondContact O-N 2.93Å; K506-A509 CarbonylContact O-C 3.6Å; K506-P510 WeakPolarHBondContact O-CA 3.32Å; K506-P510 WeakPolarHBondContact O-CB 3.36Å; K506-P510 WeakPolarHBondContact O-CD 3.37Å; K506-F513 HydrophobicContact CB-CD2 4.46Å; K506-F513 HydrophobicContact CB-CG 4.31Å; K506-F513 HydrophobicContact CG-CB 4.07Å; K506-F513 HydrophobicContact CG-CD1 3.53Å; K506-F513 HydrophobicContact CG-CD2 4.16Å; K506-F513 HydrophobicContact CG-CE1 3.91Å; K506-F513 HydrophobicContact CG-CG 3.65Å; K506-F513 HydrophobicContact CG-CZ 4.39Å |
| 507 | D | 86.6 | Confident | 83.2 | Confident | 93 Ų | 93 | 47 Ų | 47 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -31 | 178.3 | -75.3 | -14.2 | 0 | 0 | 0 | 114.1 | T503 M505 | T503-D507 PolarHBondContact O-N 2.86Å; M505-D507 PolarHBondContact O-N 3.21Å |
| 508 | L | 84.5 | Confident | 81.6 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -78.2 | -45.3 | -179.6 | -81.1 | 166.1 | 0 | 0 | 0 | 111.6 | M78 K117 A504 M505 K506 P510 I527 L531 L532 R535 | M78-L508 HydrophobicContact CG-CB 4.48Å; M78-L508 HydrophobicContact SD-CD2 3.92Å; K117-L508 PolarHBondContact NZ-O 3.26Å; A504-L508 WeakPolarHBondContact O-CD1 3.11Å; A504-L508 WeakPolarHBondContact O-CG 3.42Å; A504-L508 PolarHBondContact O-N 3.1Å; M505-L508 PolarHBondContact O-N 3.02Å; K506-L508 VanDerWaalsContact C-N 3.32Å; K506-L508 PolarHBondContact O-N 2.93Å; L508-P510 WeakPolarHBondContact O-CD 3.4Å; L508-I527 HydrophobicContact CB-CD1 3.69Å; L508-I527 HydrophobicContact CD1-CD1 3.76Å; L508-I527 HydrophobicContact CD1-CG2 3.65Å; L508-I527 HydrophobicContact CG-CD1 4.36Å; L508-L531 HydrophobicContact CD1-CB 3.95Å; L508-L531 HydrophobicContact CD2-CB 4.3Å; L508-L532 HydrophobicContact CD1-CD2 3.9Å; L508-L532 HydrophobicContact CD1-CG 4.43Å; L508-R535 VanDerWaalsContact CD2-NH1 3.3Å |
| 509 | A | 81.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -121.4 | 53.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A77 M505 K506 K511 L512 F513 | A77-A509 HydrophobicContact CB-CB 3.65Å; A77-A509 WeakPolarHBondContact O-CB 3.19Å; M505-A509 PolarHBondContact O-N 3.26Å; M505-A509 VanDerWaalsContact O-N 3.14Å; K506-A509 CarbonylContact O-C 3.6Å; A509-K511 PolarHBondContact O-N 3.29Å; A509-L512 HydrophobicContact CB-CB 4.1Å; A509-L512 HydrophobicContact CB-CD2 4.31Å; A509-L512 WeakPolarHBondContact O-CB 3.33Å; A509-L512 PolarHBondContact O-N 3.36Å; A509-F513 HydrophobicContact CB-CD2 4.38Å; A509-F513 WeakPolarHBondContact O-CD2 3.39Å; A509-F513 PolarHBondContact O-N 2.72Å |
| 510 | P | 81.8 | Confident | 79.3 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -24.7 | -168 | 24 | -34.9 | 0 | 0 | 0 | 114 | K506 L508 K514 | K506-P510 WeakPolarHBondContact O-CA 3.32Å; K506-P510 WeakPolarHBondContact O-CB 3.36Å; K506-P510 WeakPolarHBondContact O-CD 3.37Å; L508-P510 WeakPolarHBondContact O-CD 3.4Å; P510-K514 WeakPolarHBondContact O-CB 2.98Å; P510-K514 PolarHBondContact O-N 3.31Å |
| 511 | K | 75.3 | Confident | 77.7 | Confident | 28 Ų | 28 | 43 Ų | 43 | 12% | 0.122 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.2 | -49.1 | 174.4 | -170 | 170.1 | -174.8 | 175.4 | 0 | 111.8 | L84 F85 D88 A509 F513 K514 E515 | L84-K511 HydrophobicContact CB-CD 4.05Å; L84-K511 HydrophobicContact CB-CG 4.36Å; L84-K511 PolarHBondContact O-NZ 3.01Å; F85-K511 HydrophobicContact CB-CD 4.09Å; D88-K511 IonicContact OD2-NZ 3.86Å; D88-K511 PolarHBondContact OD2-NZ 2.75Å; A509-K511 PolarHBondContact O-N 3.29Å; K511-F513 VanDerWaalsContact C-N 3.28Å; K511-F513 PolarHBondContact O-N 2.74Å; K511-K514 WeakPolarHBondContact O-CB 3.39Å; K511-K514 PolarHBondContact O-N 3.47Å; K511-E515 VanDerWaalsContact CE-CD 3.47Å; K511-E515 WeakPolarHBondContact CE-OE1 3.49Å; K511-E515 WeakPolarHBondContact CE-OE2 3.49Å; K511-E515 WeakPolarHBondContact CG-OE1 3.34Å; K511-E515 IonicContact NZ-OE1 2.72Å; K511-E515 PolarHBondContact O-N 3.36Å |
| 512 | L | 74.9 | Confident | 76 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.5 | -44.2 | 175.7 | 179.5 | 64.3 | 0 | 0 | 0 | 111.6 | A77 R80 L84 W321 A509 H516 V519 T525 | A77-L512 HydrophobicContact CB-CD2 3.94Å; R80-L512 HydrophobicContact CB-CD1 4.33Å; R80-L512 HydrophobicContact CB-CD2 4.4Å; L84-L512 HydrophobicContact CD1-CB 4.34Å; L84-L512 HydrophobicContact CD1-CD1 3.87Å; W321-L512 HydrophobicContact CH2-CD1 3.38Å; W321-L512 HydrophobicContact CZ3-CD1 3.61Å; A509-L512 HydrophobicContact CB-CB 4.1Å; A509-L512 HydrophobicContact CB-CD2 4.31Å; A509-L512 WeakPolarHBondContact O-CB 3.33Å; A509-L512 PolarHBondContact O-N 3.36Å; L512-H516 WeakPolarHBondContact O-CA 3.43Å; L512-H516 WeakPolarHBondContact O-CB 3.47Å; L512-H516 PolarHBondContact O-N 3.44Å; L512-V519 HydrophobicContact CD1-CG2 4.26Å; L512-V519 HydrophobicContact CD2-CG2 4.31Å; L512-V519 HydrophobicContact CG-CG1 4.32Å; L512-V519 HydrophobicContact CG-CG2 4.25Å; L512-T525 HydrophobicContact CD2-CG2 4Å |
| 513 | F | 73.8 | Confident | 74.8 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -75.6 | -21.6 | 178 | -80.3 | -84.9 | 0 | 0 | 0 | 114.8 | M505 K506 A509 K511 P517 V519 L520 | M505-F513 VanDerWaalsContact C-CE2 3.47Å; M505-F513 HydrophobicContact CB-CE2 3.87Å; M505-F513 HydrophobicContact CB-CZ 3.68Å; M505-F513 WeakPolarHBondContact O-CE2 3.45Å; K506-F513 HydrophobicContact CB-CD2 4.46Å; K506-F513 HydrophobicContact CB-CG 4.31Å; K506-F513 HydrophobicContact CG-CB 4.07Å; K506-F513 HydrophobicContact CG-CD1 3.53Å; K506-F513 HydrophobicContact CG-CD2 4.16Å; K506-F513 HydrophobicContact CG-CE1 3.91Å; K506-F513 HydrophobicContact CG-CG 3.65Å; K506-F513 HydrophobicContact CG-CZ 4.39Å; A509-F513 HydrophobicContact CB-CD2 4.38Å; A509-F513 WeakPolarHBondContact O-CD2 3.39Å; A509-F513 PolarHBondContact O-N 2.72Å; K511-F513 VanDerWaalsContact C-N 3.28Å; K511-F513 PolarHBondContact O-N 2.74Å; F513-P517 VanDerWaalsContact O-CA 3.27Å; F513-P517 WeakPolarHBondContact O-CA 3.2Å; F513-V519 HydrophobicContact CD1-CG1 3.73Å; F513-V519 HydrophobicContact CD2-CG1 4.34Å; F513-V519 HydrophobicContact CE1-CG1 3.45Å; F513-V519 VanDerWaalsContact CE1-CG1 3.45Å; F513-V519 HydrophobicContact CE2-CG1 4.09Å; F513-V519 HydrophobicContact CG-CG1 4.19Å; F513-V519 HydrophobicContact CZ-CG1 3.64Å; F513-L520 HydrophobicContact CE1-CD1 3.68Å; F513-L520 HydrophobicContact CE1-CG 3.67Å; F513-L520 HydrophobicContact CZ-CD1 3.89Å; F513-L520 HydrophobicContact CZ-CD2 4.09Å; F513-L520 HydrophobicContact CZ-CG 3.7Å |
| 514 | K | 71.7 | Confident | 73.7 | Confident | 150 Ų | 150 | 45.4 Ų | 45.4 | 65% | 0.652 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -77.3 | -37.7 | 175.3 | -179.7 | -173.4 | 176.4 | -168.3 | 0 | 111.8 | P510 K511 | P510-K514 WeakPolarHBondContact O-CB 2.98Å; P510-K514 PolarHBondContact O-N 3.31Å; K511-K514 WeakPolarHBondContact O-CB 3.39Å; K511-K514 PolarHBondContact O-N 3.47Å |
| 515 | E | 66.7 | Low | 73 | Confident | 71 Ų | 71 | 45.3 Ų | 45.3 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -83.7 | -35.5 | 175.8 | -81.2 | 135.8 | -119.7 | 0 | 0 | 112.5 | K511 | K511-E515 VanDerWaalsContact CE-CD 3.47Å; K511-E515 WeakPolarHBondContact CE-OE1 3.49Å; K511-E515 WeakPolarHBondContact CE-OE2 3.49Å; K511-E515 WeakPolarHBondContact CG-OE1 3.34Å; K511-E515 IonicContact NZ-OE1 2.72Å; K511-E515 PolarHBondContact O-N 3.36Å |
| 516 | H | 65.2 | Low | 73.1 | Confident | 67 Ų | 67 | 45.4 Ų | 45.4 | 31% | 0.31 | 23% | 0.228 | S | C | . | . | trans | -128.9 | 76.3 | -179.6 | -52.5 | -91.4 | 0 | 0 | 0 | 110.9 | W321 L512 N518 V519 | W321-H516 AromaticContact CE3-CE1 3.91Å; W321-H516 AromaticContact CE3-CG 3.95Å; W321-H516 AromaticContact CE3-ND1 3.78Å; W321-H516 AromaticContact CH2-CD2 3.5Å; W321-H516 VanDerWaalsContact CH2-CD2 3.5Å; W321-H516 WeakPolarHBondContact CH2-CD2 3.41Å; W321-H516 AromaticContact CH2-NE2 3.49Å; W321-H516 WeakPolarHBondContact CH2-NE2 3.49Å; W321-H516 HydrophobicContact CZ3-CB 3.99Å; W321-H516 AromaticContact CZ3-CD2 3.31Å; W321-H516 WeakPolarHBondContact CZ3-CD2 3.16Å; W321-H516 AromaticContact CZ3-CE1 3.75Å; W321-H516 AromaticContact CZ3-CG 3.39Å; W321-H516 AromaticContact CZ3-ND1 3.67Å; W321-H516 AromaticContact CZ3-NE2 3.55Å; L512-H516 WeakPolarHBondContact O-CA 3.43Å; L512-H516 WeakPolarHBondContact O-CB 3.47Å; L512-H516 PolarHBondContact O-N 3.44Å; H516-N518 PolarHBondContact O-N 3.46Å; H516-N518 VanDerWaalsContact O-N 3.07Å; H516-V519 HydrophobicContact CB-CB 4.13Å; H516-V519 VanDerWaalsContact O-CB 3.31Å; H516-V519 WeakPolarHBondContact O-CB 3.42Å; H516-V519 WeakPolarHBondContact O-CG1 3.09Å; H516-V519 PolarHBondContact O-N 3.47Å | ||
| 517 | P | 64.6 | Low | 73.2 | Confident | 87 Ų | 87 | 41 Ų | 41 | 57% | 0.565 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -33.3 | -178.2 | -28.6 | 36.1 | 0 | 0 | 0 | 114.3 | F513 V519 | F513-P517 VanDerWaalsContact O-CA 3.27Å; F513-P517 WeakPolarHBondContact O-CA 3.2Å; P517-V519 PolarHBondContact O-N 2.9Å |
| 518 | N | 62.7 | Low | 73.4 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7.8 | -176 | -68.4 | -0.7 | 0 | 0 | 0 | 113.9 | H516 L520 H521 H522 | H516-N518 PolarHBondContact O-N 3.46Å; H516-N518 VanDerWaalsContact O-N 3.07Å; N518-L520 PolarHBondContact O-N 2.94Å; N518-H521 WeakPolarHBondContact O-CB 3.35Å; N518-H521 PolarHBondContact O-CD2 2.9Å; N518-H521 PolarHBondContact O-N 2.96Å; N518-H522 PolarHBondContact O-CD2 3.05Å; N518-H522 VanDerWaalsContact O-CD2 3.25Å |
| 519 | V | 68.4 | Low | 73.8 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -53.2 | -29.7 | -172 | 69.1 | 0 | 0 | 0 | 0 | 114.9 | W321 L512 F513 H516 P517 H521 H522 T525 | W321-V519 HydrophobicContact CZ3-CG2 4.33Å; L512-V519 HydrophobicContact CD1-CG2 4.26Å; L512-V519 HydrophobicContact CD2-CG2 4.31Å; L512-V519 HydrophobicContact CG-CG1 4.32Å; L512-V519 HydrophobicContact CG-CG2 4.25Å; F513-V519 HydrophobicContact CD1-CG1 3.73Å; F513-V519 HydrophobicContact CD2-CG1 4.34Å; F513-V519 HydrophobicContact CE1-CG1 3.45Å; F513-V519 VanDerWaalsContact CE1-CG1 3.45Å; F513-V519 HydrophobicContact CE2-CG1 4.09Å; F513-V519 HydrophobicContact CG-CG1 4.19Å; F513-V519 HydrophobicContact CZ-CG1 3.64Å; H516-V519 HydrophobicContact CB-CB 4.13Å; H516-V519 VanDerWaalsContact O-CB 3.31Å; H516-V519 WeakPolarHBondContact O-CB 3.42Å; H516-V519 WeakPolarHBondContact O-CG1 3.09Å; H516-V519 PolarHBondContact O-N 3.47Å; P517-V519 PolarHBondContact O-N 2.9Å; V519-H521 PolarHBondContact O-N 3.21Å; V519-H522 PolarHBondContact O-N 3.33Å; V519-H522 VanDerWaalsContact O-N 3.13Å; V519-T525 VanDerWaalsContact CG2-OG1 3.27Å; V519-T525 WeakPolarHBondContact CG2-OG1 3.3Å |
| 520 | L | 69.3 | Low | 74.4 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -65.4 | -17.1 | 174.8 | -73.6 | 170.1 | 0 | 0 | 0 | 114.3 | F501 E502 M505 F513 N518 Y557 | F501-L520 HydrophobicContact CE1-CD2 4.02Å; E502-L520 HydrophobicContact CB-CD1 4.45Å; E502-L520 HydrophobicContact CG-CD1 4.22Å; M505-L520 HydrophobicContact CE-CD2 3.58Å; M505-L520 HydrophobicContact CG-CD2 4.27Å; F513-L520 HydrophobicContact CE1-CD1 3.68Å; F513-L520 HydrophobicContact CE1-CG 3.67Å; F513-L520 HydrophobicContact CZ-CD1 3.89Å; F513-L520 HydrophobicContact CZ-CD2 4.09Å; F513-L520 HydrophobicContact CZ-CG 3.7Å; N518-L520 PolarHBondContact O-N 2.94Å; L520-Y557 HydrophobicContact CB-CE1 4.35Å; L520-Y557 HydrophobicContact CD2-CE1 4.23Å |
| 521 | H | 61.5 | Low | 74.9 | Confident | 48 Ų | 48 | 34.1 Ų | 34.1 | 22% | 0.222 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -92.6 | -6.3 | 175.6 | -54.6 | -60.2 | 0 | 0 | 0 | 113.2 | N518 V519 | N518-H521 WeakPolarHBondContact O-CB 3.35Å; N518-H521 PolarHBondContact O-CD2 2.9Å; N518-H521 PolarHBondContact O-N 2.96Å; V519-H521 PolarHBondContact O-N 3.21Å |
| 522 | H | 57.9 | Low | 75.7 | Confident | 68 Ų | 68 | 32.8 Ų | 32.8 | 32% | 0.315 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 11.9 | -173.4 | -70.1 | -82.3 | 0 | 0 | 0 | 114.5 | N518 V519 I524 | N518-H522 PolarHBondContact O-CD2 3.05Å; N518-H522 VanDerWaalsContact O-CD2 3.25Å; V519-H522 PolarHBondContact O-N 3.33Å; V519-H522 VanDerWaalsContact O-N 3.13Å; H522-I524 HydrophobicContact CB-CD1 3.81Å; H522-I524 HydrophobicContact CB-CG1 3.97Å; H522-I524 WeakPolarHBondContact O-CG1 3.47Å; H522-I524 VanDerWaalsContact O-CG2 3.31Å; H522-I524 WeakPolarHBondContact O-CG2 3.39Å; H522-I524 PolarHBondContact O-N 3.01Å |
| 523 | L | 64.8 | Low | 76.7 | Confident | 77 Ų | 77 | 35.1 Ų | 35.1 | 40% | 0.403 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 13.1 | 169.7 | -83.3 | 154.6 | 0 | 0 | 0 | 117.2 | C468 H470 | C468-L523 VanDerWaalsContact CB-O 3.31Å; C468-L523 WeakPolarHBondContact CB-O 3.49Å; H470-L523 HydrophobicContact CB-CD2 3.75Å; H470-L523 HydrophobicContact CB-CG 4.18Å; H470-L523 VanDerWaalsContact CD2-CD2 3.49Å; H470-L523 WeakPolarHBondContact CD2-CD2 3.46Å |
| 524 | I | 69.2 | Low | 77.6 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | trans | -119.9 | 1.5 | -166.8 | 55.1 | -175.6 | 0 | 0 | 0 | 115.8 | R80 W321 F324 C468 H522 | R80-I524 PolarHBondContact NH1-O 3.19Å; W321-I524 HydrophobicContact CB-CD1 4.31Å; W321-I524 HydrophobicContact CD2-CD1 4.22Å; W321-I524 HydrophobicContact CE3-CD1 3.99Å; W321-I524 HydrophobicContact CG-CD1 4.34Å; W321-I524 WeakPolarHBondContact O-CD1 3.4Å; F324-I524 HydrophobicContact CE2-CG2 4.28Å; F324-I524 HydrophobicContact CZ-CG2 4.33Å; C468-I524 VanDerWaalsContact SG-C 3.52Å; H522-I524 HydrophobicContact CB-CD1 3.81Å; H522-I524 HydrophobicContact CB-CG1 3.97Å; H522-I524 WeakPolarHBondContact O-CG1 3.47Å; H522-I524 VanDerWaalsContact O-CG2 3.31Å; H522-I524 WeakPolarHBondContact O-CG2 3.39Å; H522-I524 PolarHBondContact O-N 3.01Å | ||
| 525 | T | 78.7 | Confident | 78.6 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | trans | -122.1 | 119.8 | -170.6 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | A77 C468 W469 M505 L512 V519 | A77-T525 HydrophobicContact CB-CG2 3.45Å; A77-T525 VanDerWaalsContact CB-CG2 3.45Å; C468-T525 WeakPolarHBondContact CB-O 3.29Å; W469-T525 PolarHBondContact N-O 3.2Å; M505-T525 HydrophobicContact CE-CG2 4.1Å; L512-T525 HydrophobicContact CD2-CG2 4Å; V519-T525 VanDerWaalsContact CG2-OG1 3.27Å; V519-T525 WeakPolarHBondContact CG2-OG1 3.3Å | ||
| 526 | L | 88.7 | Confident | 79.9 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 144.9 | -179.6 | -166.9 | 63.5 | 0 | 0 | 0 | 110.7 | L75 N76 A77 F368 W369 V372 T466 A559 | L75-L526 HydrophobicContact CB-CB 4.18Å; L75-L526 PolarHBondContact O-N 3.01Å; N76-L526 WeakPolarHBondContact CA-O 3.33Å; A77-L526 PolarHBondContact N-O 2.85Å; F368-L526 HydrophobicContact CE1-CD2 4.14Å; F368-L526 HydrophobicContact CZ-CD2 3.8Å; W369-L526 HydrophobicContact CH2-CD1 3.78Å; W369-L526 HydrophobicContact CH2-CD2 3.7Å; W369-L526 HydrophobicContact CH2-CG 3.64Å; W369-L526 HydrophobicContact CZ3-CD1 4.42Å; W369-L526 HydrophobicContact CZ3-CD2 3.7Å; W369-L526 HydrophobicContact CZ3-CG 3.77Å; V372-L526 HydrophobicContact CG1-CD2 3.98Å; V372-L526 HydrophobicContact CG2-CD2 4.18Å; T466-L526 HydrophobicContact CG2-CD2 4.01Å; L526-A559 HydrophobicContact CD1-CB 3.96Å |
| 527 | I | 89 | Confident | 81.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -136.5 | 137.7 | 169.2 | -68.2 | -162.9 | 0 | 0 | 0 | 107.9 | A77 W469 M505 L508 P529 L531 L532 | A77-I527 HydrophobicContact CB-CD1 3.6Å; A77-I527 HydrophobicContact CB-CG1 3.47Å; A77-I527 VanDerWaalsContact CB-CG1 3.47Å; W469-I527 PolarHBondContact NE1-O 2.87Å; M505-I527 HydrophobicContact CE-CB 4.45Å; M505-I527 HydrophobicContact CE-CD1 4.19Å; M505-I527 HydrophobicContact CE-CG1 3.99Å; M505-I527 HydrophobicContact SD-CB 3.75Å; M505-I527 HydrophobicContact SD-CD1 3.48Å; M505-I527 WeakPolarHBondContact SD-CD1 3.48Å; M505-I527 HydrophobicContact SD-CG1 3.61Å; L508-I527 HydrophobicContact CB-CD1 3.69Å; L508-I527 HydrophobicContact CD1-CD1 3.76Å; L508-I527 HydrophobicContact CD1-CG2 3.65Å; L508-I527 HydrophobicContact CG-CD1 4.36Å; I527-P529 WeakPolarHBondContact O-CD 3.26Å; I527-L531 HydrophobicContact CG2-CB 4.23Å; I527-L531 HydrophobicContact CG2-CD1 4.49Å; I527-L532 HydrophobicContact CB-CD1 4.21Å; I527-L532 HydrophobicContact CG2-CD1 3.97Å; I527-L532 HydrophobicContact CG2-CD2 4.18Å; I527-L532 HydrophobicContact CG2-CG 3.8Å | ||
| 528 | N | 90.9 | Very high | 83 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | trans | -57.4 | 121.5 | 175.5 | 179.1 | -26.5 | 0 | 0 | 0 | 110.8 | W369 T530 L531 | W369-N528 HydrophobicContact CD2-CB 4.42Å; W369-N528 HydrophobicContact CE3-CB 3.82Å; W369-N528 VanDerWaalsContact CZ3-CA 3.43Å; W369-N528 HydrophobicContact CZ3-CB 4.01Å; N528-T530 PolarHBondContact O-N 3.48Å; N528-T530 VanDerWaalsContact OD1-CB 3.23Å; N528-T530 WeakPolarHBondContact OD1-CB 3.47Å; N528-T530 PolarHBondContact OD1-N 2.98Å; N528-T530 PolarHBondContact OD1-OG1 3.04Å; N528-L531 HydrophobicContact CB-CD1 4.29Å; N528-L531 HydrophobicContact CB-CG 4.37Å; N528-L531 WeakPolarHBondContact O-CB 3.38Å; N528-L531 PolarHBondContact O-N 3.41Å | ||
| 529 | P | 94.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -46.9 | -36 | 179.9 | -32.6 | 34.9 | 0 | 0 | 0 | 114.5 | P11 W369 W469 Y491 I527 L531 L532 M533 I539 | P11-P529 HydrophobicContact CG-CB 3.79Å; P11-P529 HydrophobicContact CG-CG 4.36Å; W369-P529 VanDerWaalsContact CH2-CD 3.46Å; W369-P529 HydrophobicContact CH2-CG 4.43Å; W369-P529 HydrophobicContact CZ2-CG 3.85Å; W469-P529 HydrophobicContact CZ2-CG 4.33Å; Y491-P529 HydrophobicContact CD1-CG 3.86Å; Y491-P529 HydrophobicContact CE1-CG 4.06Å; Y491-P529 HydrophobicContact CG-CG 4.1Å; I527-P529 WeakPolarHBondContact O-CD 3.26Å; P529-L531 PolarHBondContact O-N 3.08Å; P529-L532 PolarHBondContact O-N 3.27Å; P529-L532 VanDerWaalsContact O-N 3.08Å; P529-M533 HydrophobicContact CB-CE 4.26Å; P529-M533 WeakPolarHBondContact O-CG 3.47Å; P529-M533 PolarHBondContact O-N 2.99Å; P529-I539 HydrophobicContact CB-CD1 3.84Å; P529-I539 HydrophobicContact CB-CG2 4.24Å |
| 530 | T | 93.8 | Very high | 86.1 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.9 | -38.9 | 178.4 | -39.2 | 0 | 0 | 0 | 0 | 112.1 | T9 N528 L532 N534 | T9-T530 PolarHBondContact N-OG1 3.43Å; N528-T530 PolarHBondContact O-N 3.48Å; N528-T530 VanDerWaalsContact OD1-CB 3.23Å; N528-T530 WeakPolarHBondContact OD1-CB 3.47Å; N528-T530 PolarHBondContact OD1-N 2.98Å; N528-T530 PolarHBondContact OD1-OG1 3.04Å; T530-L532 VanDerWaalsContact C-N 3.33Å; T530-L532 PolarHBondContact O-N 3.41Å; T530-N534 VanDerWaalsContact O-CB 3.25Å; T530-N534 WeakPolarHBondContact O-CB 3.42Å; T530-N534 PolarHBondContact O-N 2.9Å; T530-N534 PolarHBondContact O-ND2 3.16Å |
| 531 | L | 91.1 | Very high | 87.5 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.1 | -20.8 | -177.7 | -59.5 | 177 | 0 | 0 | 0 | 113.7 | M78 L508 I527 N528 P529 R535 | M78-L531 HydrophobicContact CE-CD1 3.47Å; M78-L531 VanDerWaalsContact CE-CD1 3.47Å; M78-L531 HydrophobicContact SD-CD1 3.95Å; L508-L531 HydrophobicContact CD1-CB 3.95Å; L508-L531 HydrophobicContact CD2-CB 4.3Å; I527-L531 HydrophobicContact CG2-CB 4.23Å; I527-L531 HydrophobicContact CG2-CD1 4.49Å; N528-L531 HydrophobicContact CB-CD1 4.29Å; N528-L531 HydrophobicContact CB-CG 4.37Å; N528-L531 WeakPolarHBondContact O-CB 3.38Å; N528-L531 PolarHBondContact O-N 3.41Å; P529-L531 PolarHBondContact O-N 3.08Å; L531-R535 PolarHBondContact O-NH1 3.16Å |
| 532 | L | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -91.5 | -41.9 | 178 | -64.7 | 166.9 | 0 | 0 | 0 | 110.8 | W469 F501 A504 M505 L508 I527 P529 T530 N534 R535 G536 V537 I539 | W469-L532 HydrophobicContact CZ2-CD1 4.22Å; F501-L532 HydrophobicContact CD2-CD1 4.12Å; F501-L532 HydrophobicContact CE2-CD1 3.67Å; A504-L532 HydrophobicContact CB-CD2 3.74Å; M505-L532 HydrophobicContact CG-CD2 4.17Å; M505-L532 HydrophobicContact SD-CD1 4.18Å; M505-L532 HydrophobicContact SD-CD2 3.97Å; L508-L532 HydrophobicContact CD1-CD2 3.9Å; L508-L532 HydrophobicContact CD1-CG 4.43Å; I527-L532 HydrophobicContact CB-CD1 4.21Å; I527-L532 HydrophobicContact CG2-CD1 3.97Å; I527-L532 HydrophobicContact CG2-CD2 4.18Å; I527-L532 HydrophobicContact CG2-CG 3.8Å; P529-L532 PolarHBondContact O-N 3.27Å; P529-L532 VanDerWaalsContact O-N 3.08Å; T530-L532 VanDerWaalsContact C-N 3.33Å; T530-L532 PolarHBondContact O-N 3.41Å; L532-N534 VanDerWaalsContact C-N 3.27Å; L532-N534 PolarHBondContact O-N 3.05Å; L532-R535 CarbonylContact O-C 3.57Å; L532-R535 WeakPolarHBondContact O-CA 3.24Å; L532-R535 WeakPolarHBondContact O-CB 3.46Å; L532-R535 PolarHBondContact O-N 2.96Å; L532-G536 PolarHBondContact O-N 3.19Å; L532-V537 HydrophobicContact CB-CB 4.41Å; L532-V537 WeakPolarHBondContact O-CB 3.49Å; L532-V537 PolarHBondContact O-N 2.75Å; L532-I539 HydrophobicContact CB-CD1 3.58Å; L532-I539 HydrophobicContact CD1-CD1 3.84Å; L532-I539 HydrophobicContact CG-CD1 4.37Å |
| 533 | M | 95 | Very high | 91.1 | Very high | 48 Ų | 48 | 30 Ų | 30 | 24% | 0.236 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 169.5 | -67.8 | -172.4 | -64.6 | 0 | 0 | 111.1 | T9 P11 P529 R535 G536 V537 I539 | T9-M533 WeakPolarHBondContact O-CE 3.41Å; P11-M533 HydrophobicContact CB-CE 4.3Å; P11-M533 HydrophobicContact CB-SD 3.94Å; P11-M533 HydrophobicContact CG-CE 3.93Å; P11-M533 HydrophobicContact CG-SD 4.12Å; P529-M533 HydrophobicContact CB-CE 4.26Å; P529-M533 WeakPolarHBondContact O-CG 3.47Å; P529-M533 PolarHBondContact O-N 2.99Å; M533-R535 PolarHBondContact O-N 3.45Å; M533-R535 VanDerWaalsContact O-N 3.07Å; M533-G536 PolarHBondContact O-N 3.11Å; M533-V537 WeakPolarHBondContact CA-O 3.34Å; M533-I539 HydrophobicContact CG-CB 4.09Å; M533-I539 HydrophobicContact CG-CD1 4.21Å; M533-I539 HydrophobicContact CG-CG1 4.29Å; M533-I539 HydrophobicContact SD-CB 4.34Å |
| 534 | N | 93.3 | Very high | 92.7 | Very high | 120 Ų | 120 | 26.3 Ų | 26.3 | 64% | 0.642 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -5.1 | 171.8 | -72 | -14.7 | 0 | 0 | 0 | 114.5 | T530 L532 | T530-N534 VanDerWaalsContact O-CB 3.25Å; T530-N534 WeakPolarHBondContact O-CB 3.42Å; T530-N534 PolarHBondContact O-N 2.9Å; T530-N534 PolarHBondContact O-ND2 3.16Å; L532-N534 VanDerWaalsContact C-N 3.27Å; L532-N534 PolarHBondContact O-N 3.05Å |
| 535 | R | 92.5 | Very high | 94 | Very high | 110 Ų | 110 | 29.3 Ų | 29.3 | 42% | 0.415 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 7.7 | 169.5 | -76.5 | 177.5 | 164.9 | 63.9 | -1 | 113.3 | A504 L508 L531 L532 M533 | A504-R535 HydrophobicContact CB-CB 4.04Å; A504-R535 HydrophobicContact CB-CG 4.48Å; L508-R535 VanDerWaalsContact CD2-NH1 3.3Å; L531-R535 PolarHBondContact O-NH1 3.16Å; L532-R535 CarbonylContact O-C 3.57Å; L532-R535 WeakPolarHBondContact O-CA 3.24Å; L532-R535 WeakPolarHBondContact O-CB 3.46Å; L532-R535 PolarHBondContact O-N 2.96Å; M533-R535 PolarHBondContact O-N 3.45Å; M533-R535 VanDerWaalsContact O-N 3.07Å |
| 536 | G | 94.5 | Very high | 94.7 | Very high | 48 Ų | 48 | 31.7 Ų | 31.7 | 50% | 0.495 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 18.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L532 M533 | L532-G536 PolarHBondContact O-N 3.19Å; M533-G536 PolarHBondContact O-N 3.11Å |
| 537 | V | 97 | Very high | 94.9 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | trans | -84.4 | 122.6 | 169.9 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | V493 K500 F501 A504 L532 M533 I539 | V493-V537 HydrophobicContact CG1-CG1 4.2Å; V493-V537 HydrophobicContact CG2-CG1 4.33Å; K500-V537 HydrophobicContact CB-CG2 4.23Å; F501-V537 HydrophobicContact CB-CG1 3.9Å; F501-V537 HydrophobicContact CD2-CG1 4.26Å; A504-V537 HydrophobicContact CB-CG2 3.71Å; L532-V537 HydrophobicContact CB-CB 4.41Å; L532-V537 WeakPolarHBondContact O-CB 3.49Å; L532-V537 PolarHBondContact O-N 2.75Å; M533-V537 WeakPolarHBondContact CA-O 3.34Å; V537-I539 HydrophobicContact CG1-CG1 4.35Å; V537-I539 PolarHBondContact O-N 2.84Å | ||
| 538 | N | 97.5 | Very high | 95.3 | Very high | 75 Ų | 75 | 34.1 Ų | 34.1 | 40% | 0.401 | 19% | 0.187 | S | C | . | . | trans | -75 | 116.8 | 174.9 | -64.2 | -80.3 | 0 | 0 | 0 | 110.3 | E497 Y540 | E497-N538 VanDerWaalsContact CD-ND2 3.31Å; E497-N538 HydrophobicContact CG-CB 4.14Å; E497-N538 PolarHBondContact OE2-N 3.45Å; E497-N538 PolarHBondContact OE2-ND2 2.63Å; N538-Y540 HydrophobicContact CB-CE2 4.29Å | ||
| 539 | I | 98 | Very high | 95.7 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | trans | -116.2 | 140.9 | 174.1 | -62.9 | 173.6 | 0 | 0 | 0 | 108.5 | P11 W469 G492 V493 P529 L532 M533 V537 | P11-I539 HydrophobicContact CB-CB 4.47Å; P11-I539 HydrophobicContact CB-CG2 4.06Å; P11-I539 HydrophobicContact CG-CG2 3.89Å; W469-I539 HydrophobicContact CH2-CD1 4.24Å; W469-I539 HydrophobicContact CH2-CG1 4.47Å; W469-I539 HydrophobicContact CH2-CG2 4.13Å; W469-I539 HydrophobicContact CZ2-CD1 4.15Å; G492-I539 WeakPolarHBondContact O-CA 3.44Å; V493-I539 HydrophobicContact CG2-CB 4.45Å; V493-I539 HydrophobicContact CG2-CG1 3.63Å; P529-I539 HydrophobicContact CB-CD1 3.84Å; P529-I539 HydrophobicContact CB-CG2 4.24Å; L532-I539 HydrophobicContact CB-CD1 3.58Å; L532-I539 HydrophobicContact CD1-CD1 3.84Å; L532-I539 HydrophobicContact CG-CD1 4.37Å; M533-I539 HydrophobicContact CG-CB 4.09Å; M533-I539 HydrophobicContact CG-CD1 4.21Å; M533-I539 HydrophobicContact CG-CG1 4.29Å; M533-I539 HydrophobicContact SD-CB 4.34Å; V537-I539 HydrophobicContact CG1-CG1 4.35Å; V537-I539 PolarHBondContact O-N 2.84Å | ||
| 540 | Y | 98.4 | Very high | 95.9 | Very high | 43 Ų | 43 | 34 Ų | 34 | 17% | 0.169 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 155.8 | 170.8 | -56.6 | -80.4 | 0 | 0 | 0 | 110.7 | P12 F41 Y491 G492 N538 | P12-Y540 HydrophobicContact CB-CD1 4.08Å; P12-Y540 HydrophobicContact CB-CE1 4.33Å; P12-Y540 CarbonylContact O-C 3.55Å; P12-Y540 WeakPolarHBondContact O-CA 3.3Å; F41-Y540 HydrophobicContact CB-CD2 4.06Å; F41-Y540 HydrophobicContact CB-CE2 4.37Å; F41-Y540 HydrophobicContact CB-CG 4.46Å; F41-Y540 AromaticContact CD1-CD1 3.65Å; F41-Y540 HydrophobicContact CD1-CD1 3.65Å; F41-Y540 AromaticContact CD1-CD2 3.82Å; F41-Y540 HydrophobicContact CD1-CD2 3.82Å; F41-Y540 AromaticContact CD1-CE1 3.57Å; F41-Y540 HydrophobicContact CD1-CE1 3.57Å; F41-Y540 AromaticContact CD1-CE2 3.72Å; F41-Y540 HydrophobicContact CD1-CE2 3.72Å; F41-Y540 AromaticContact CD1-CG 3.78Å; F41-Y540 HydrophobicContact CD1-CG 3.78Å; F41-Y540 AromaticContact CD1-CZ 3.61Å; F41-Y540 HydrophobicContact CE1-CD1 4.11Å; F41-Y540 AromaticContact CE1-CE1 3.74Å; F41-Y540 HydrophobicContact CE1-CE1 3.74Å; F41-Y540 AromaticContact CE1-CZ 3.97Å; F41-Y540 HydrophobicContact CG-CD2 4.4Å; F41-Y540 HydrophobicContact CG-CE2 4.39Å; Y491-Y540 CarbonylContact C-O 3.59Å; Y491-Y540 VanDerWaalsContact CA-O 3.27Å; Y491-Y540 WeakPolarHBondContact CA-O 3.5Å; G492-Y540 PolarHBondContact N-O 3.41Å; G492-Y540 PolarHBondContact O-N 2.85Å; N538-Y540 HydrophobicContact CB-CE2 4.29Å |
| 541 | T | 98.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 150 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | K10 P11 P12 V13 A14 W490 | K10-T541 HydrophobicContact CG-CG2 4.19Å; P11-T541 HydrophobicContact CB-CG2 4.35Å; P11-T541 WeakPolarHBondContact O-CG2 3.5Å; P12-T541 PolarHBondContact O-N 2.62Å; V13-T541 CarbonylContact C-O 3.5Å; V13-T541 VanDerWaalsContact CA-O 3.3Å; V13-T541 WeakPolarHBondContact CA-O 3.44Å; V13-T541 HydrophobicContact CG2-CG2 4.32Å; A14-T541 PolarHBondContact N-O 3.44Å; W490-T541 CarbonylContact O-C 3.47Å; W490-T541 VanDerWaalsContact O-CA 3.24Å; W490-T541 WeakPolarHBondContact O-CA 3.33Å; W490-T541 PolarHBondContact O-OG1 3Å |
| 542 | V | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 138.8 | 162.6 | 78.1 | 0 | 0 | 0 | 0 | 111.8 | A14 V16 I43 K45 W490 V550 | A14-V542 HydrophobicContact CB-CB 4.29Å; V16-V542 HydrophobicContact CG2-CG2 4.28Å; I43-V542 HydrophobicContact CD1-CG1 3.93Å; K45-V542 HydrophobicContact CB-CG1 4.3Å; K45-V542 HydrophobicContact CB-CG2 3.79Å; K45-V542 HydrophobicContact CD-CG2 3.93Å; K45-V542 HydrophobicContact CG-CG2 4.45Å; W490-V542 HydrophobicContact CB-CG1 4.11Å; W490-V542 PolarHBondContact N-O 3.4Å; W490-V542 PolarHBondContact O-N 3.1Å; V542-V550 HydrophobicContact CG1-CG2 4.23Å |
| 543 | M | 97.7 | Very high | 96.7 | Very high | 62 Ų | 62 | 33 Ų | 33 | 31% | 0.305 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.1 | 172.6 | -169.6 | 162.1 | 69.6 | 0 | 0 | 108.7 | K45 A361 P487 E545 | K45-M543 WeakPolarHBondContact CD-O 3.36Å; K45-M543 WeakPolarHBondContact CE-O 3.28Å; K45-M543 PolarHBondContact NZ-O 3.09Å; A361-M543 HydrophobicContact CB-CE 4.33Å; A361-M543 HydrophobicContact CB-SD 3.47Å; A361-M543 WeakPolarHBondContact CB-SD 3.27Å; P487-M543 HydrophobicContact CB-CG 3.76Å; P487-M543 HydrophobicContact CB-SD 4.21Å; M543-E545 WeakPolarHBondContact CE-OE1 3.43Å |
| 544 | Q | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122 | 177.6 | -176.9 | -173.7 | 20 | 0 | 0 | 109 | N480 L482 P487 R488 Q548 V550 | N480-Q544 PolarHBondContact O-NE2 3.5Å; N480-Q544 PolarHBondContact OD1-NE2 3.46Å; N480-Q544 PolarHBondContact OD1-OE1 2.89Å; L482-Q544 HydrophobicContact CB-CG 3.9Å; L482-Q544 HydrophobicContact CD2-CG 4.16Å; L482-Q544 WeakPolarHBondContact CD2-O 3.14Å; P487-Q544 VanDerWaalsContact CA-O 3.3Å; P487-Q544 WeakPolarHBondContact CA-O 3.23Å; R488-Q544 HydrophobicContact CB-CB 4.38Å; R488-Q544 PolarHBondContact N-O 2.9Å; R488-Q544 PolarHBondContact O-N 3.48Å; Q544-Q548 HydrophobicContact CG-CB 4.35Å; Q544-Q548 PolarHBondContact NE2-O 3.04Å; Q544-V550 HydrophobicContact CB-CG2 3.95Å; Q544-V550 HydrophobicContact CG-CG2 3.91Å |
| 545 | E | 95.9 | Very high | 96.8 | Very high | 66 Ų | 66 | 27.5 Ų | 27.5 | 31% | 0.308 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -91.5 | 165.1 | 173 | -51.6 | -59.8 | 141.5 | 0 | 0 | 110.9 | P487 M543 G547 Q548 | P487-E545 WeakPolarHBondContact CG-OE2 3.43Å; M543-E545 WeakPolarHBondContact CE-OE1 3.43Å; E545-G547 PolarHBondContact O-N 3.03Å; E545-Q548 HydrophobicContact CB-CG 4.27Å; E545-Q548 VanDerWaalsContact N-OE1 3.14Å; E545-Q548 WeakPolarHBondContact O-CB 3.47Å; E545-Q548 PolarHBondContact O-N 2.91Å |
| 546 | S | 93.4 | Very high | 97.1 | Very high | 52 Ų | 52 | 22.4 Ų | 22.4 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 137.9 | 168.7 | -71.9 | 0 | 0 | 0 | 0 | 111.3 | W484 G485 | W484-S546 VanDerWaalsContact C-OG 3.24Å; W484-S546 VanDerWaalsContact CA-OG 3.26Å; W484-S546 WeakPolarHBondContact CA-OG 3.31Å; G485-S546 PolarHBondContact N-OG 3.36Å; G485-S546 PolarHBondContact O-OG 2.89Å |
| 547 | G | 93.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 24% | 0.237 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 3.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P48 Y481 L482 E545 | P48-G547 VanDerWaalsContact CD-O 3.25Å; P48-G547 WeakPolarHBondContact CD-O 3.36Å; P48-G547 WeakPolarHBondContact CG-O 3.39Å; Y481-G547 WeakPolarHBondContact CE2-O 3.36Å; L482-G547 PolarHBondContact O-N 2.69Å; E545-G547 PolarHBondContact O-N 3.03Å |
| 548 | Q | 97.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 20.3 Ų | 20.3 | 14% | 0.14 | 11% | 0.107 | C | C | . | . | trans | -112.5 | 143.9 | -174.5 | -58 | 177.7 | -6.2 | 0 | 0 | 112.4 | K45 V47 L482 Q544 E545 | K45-Q548 HydrophobicContact CD-CB 4.4Å; K45-Q548 VanDerWaalsContact CD-OE1 3.29Å; K45-Q548 VanDerWaalsContact CE-OE1 3.27Å; V47-Q548 HydrophobicContact CG1-CG 4.47Å; V47-Q548 HydrophobicContact CG2-CG 4.21Å; L482-Q548 PolarHBondContact N-O 3Å; Q544-Q548 HydrophobicContact CG-CB 4.35Å; Q544-Q548 PolarHBondContact NE2-O 3.04Å; E545-Q548 HydrophobicContact CB-CG 4.27Å; E545-Q548 VanDerWaalsContact N-OE1 3.14Å; E545-Q548 WeakPolarHBondContact O-CB 3.47Å; E545-Q548 PolarHBondContact O-N 2.91Å | ||
| 549 | F | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 146.1 | 173.9 | -62.4 | -94.4 | 0 | 0 | 0 | 111.3 | F24 K45 I46 P48 W52 W430 L432 I479 N480 Y481 | F24-F549 HydrophobicContact CZ-CE2 4.26Å; K45-F549 CarbonylContact C-O 3.58Å; K45-F549 WeakPolarHBondContact CA-O 3.18Å; K45-F549 WeakPolarHBondContact CG-O 3.36Å; I46-F549 HydrophobicContact CB-CB 4.23Å; I46-F549 PolarHBondContact N-O 3.22Å; I46-F549 PolarHBondContact O-N 3.32Å; P48-F549 HydrophobicContact CG-CD2 3.7Å; P48-F549 HydrophobicContact CG-CE2 3.66Å; W52-F549 HydrophobicContact CZ2-CZ 4.4Å; W52-F549 AromaticContact NE1-CE2 3.97Å; W430-F549 HydrophobicContact CB-CZ 4.18Å; W430-F549 HydrophobicContact CE3-CD2 4.38Å; W430-F549 HydrophobicContact CE3-CE1 4.26Å; W430-F549 HydrophobicContact CE3-CE2 4.01Å; W430-F549 AromaticContact CE3-CZ 3.95Å; W430-F549 HydrophobicContact CE3-CZ 3.95Å; L432-F549 HydrophobicContact CD2-CE1 4.18Å; I479-F549 HydrophobicContact CD1-CB 4.44Å; I479-F549 HydrophobicContact CD1-CD1 3.69Å; I479-F549 HydrophobicContact CD1-CE1 4.23Å; I479-F549 HydrophobicContact CD1-CG 4.3Å; I479-F549 HydrophobicContact CG1-CB 4.42Å; I479-F549 HydrophobicContact CG1-CD1 3.79Å; N480-F549 CarbonylContact O-C 3.49Å; N480-F549 WeakPolarHBondContact O-CA 3.47Å; Y481-F549 AromaticContact CD2-CD1 3.62Å; Y481-F549 HydrophobicContact CD2-CD1 3.62Å; Y481-F549 AromaticContact CD2-CD2 3.75Å; Y481-F549 HydrophobicContact CD2-CD2 3.75Å; Y481-F549 AromaticContact CD2-CE1 3.48Å; Y481-F549 HydrophobicContact CD2-CE1 3.48Å; Y481-F549 VanDerWaalsContact CD2-CE1 3.48Å; Y481-F549 AromaticContact CD2-CE2 3.6Å; Y481-F549 HydrophobicContact CD2-CE2 3.6Å; Y481-F549 AromaticContact CD2-CG 3.77Å; Y481-F549 HydrophobicContact CD2-CG 3.77Å; Y481-F549 AromaticContact CD2-CZ 3.46Å; Y481-F549 HydrophobicContact CD2-CZ 3.46Å; Y481-F549 VanDerWaalsContact CD2-CZ 3.46Å; Y481-F549 HydrophobicContact CE2-CD2 4.15Å; Y481-F549 HydrophobicContact CE2-CE1 4.37Å; Y481-F549 AromaticContact CE2-CE2 3.77Å; Y481-F549 HydrophobicContact CE2-CE2 3.77Å; Y481-F549 AromaticContact CE2-CZ 3.9Å; Y481-F549 HydrophobicContact CE2-CZ 3.9Å; Y481-F549 HydrophobicContact CG-CD1 4.12Å; Y481-F549 AromaticContact CG-CE1 3.88Å; Y481-F549 HydrophobicContact CG-CE1 3.88Å; Y481-F549 HydrophobicContact CG-CZ 4.19Å |
| 550 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.6 | 160.1 | 174.9 | 0 | 0 | 0 | 0 | 108 | I43 K45 I479 N480 W490 V542 Q544 | I43-V550 HydrophobicContact CB-CG1 4.39Å; K45-V550 HydrophobicContact CB-CG2 4.48Å; K45-V550 HydrophobicContact CG-CG2 4.31Å; I479-V550 WeakPolarHBondContact CA-O 3.37Å; N480-V550 PolarHBondContact N-O 3.37Å; N480-V550 PolarHBondContact O-N 2.66Å; W490-V550 HydrophobicContact CD2-CB 4.41Å; W490-V550 HydrophobicContact CD2-CG1 3.97Å; W490-V550 HydrophobicContact CD2-CG2 4.48Å; W490-V550 HydrophobicContact CE3-CG1 4.1Å; W490-V550 HydrophobicContact CG-CG1 4.38Å; W490-V550 HydrophobicContact CG-CG2 4.44Å; W490-V550 HydrophobicContact CZ2-CB 4.31Å; W490-V550 HydrophobicContact CZ3-CG1 4.43Å; V542-V550 HydrophobicContact CG1-CG2 4.23Å; Q544-V550 HydrophobicContact CB-CG2 3.95Å; Q544-V550 HydrophobicContact CG-CG2 3.91Å |
| 551 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.2 | 173 | -177.1 | 74.6 | 0 | 0 | 0 | 108.4 | F31 L34 I43 V44 I46 Y477 I479 F553 | F31-L551 HydrophobicContact CB-CD2 4.45Å; F31-L551 HydrophobicContact CD1-CD1 4.22Å; F31-L551 HydrophobicContact CD1-CD2 3.68Å; F31-L551 HydrophobicContact CE1-CD1 4.18Å; F31-L551 HydrophobicContact CE1-CD2 4.27Å; F31-L551 HydrophobicContact CG-CD2 4.25Å; L34-L551 HydrophobicContact CD1-CD2 4.19Å; I43-L551 WeakPolarHBondContact CA-O 3.29Å; V44-L551 HydrophobicContact CG1-CB 3.9Å; V44-L551 HydrophobicContact CG1-CD2 4.14Å; V44-L551 HydrophobicContact CG1-CG 4.49Å; V44-L551 PolarHBondContact N-O 3.02Å; V44-L551 PolarHBondContact O-N 3.47Å; I46-L551 HydrophobicContact CD1-CB 4.34Å; Y477-L551 HydrophobicContact CD1-CD1 4.06Å; Y477-L551 HydrophobicContact CD1-CD2 4.41Å; Y477-L551 HydrophobicContact CD1-CG 4.29Å; Y477-L551 HydrophobicContact CE1-CD2 4.49Å; I479-L551 HydrophobicContact CB-CD1 4.05Å; I479-L551 HydrophobicContact CG1-CD1 4.45Å; L551-F553 HydrophobicContact CD2-CE1 4.26Å; L551-F553 HydrophobicContact CD2-CZ 4.39Å |
| 552 | T | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141.4 | 170.2 | 72.8 | 0 | 0 | 0 | 0 | 109.4 | I43 Y477 S478 W490 | I43-T552 HydrophobicContact CG2-CG2 3.96Å; Y477-T552 WeakPolarHBondContact CD1-O 3.45Å; S478-T552 WeakPolarHBondContact CB-OG1 3.44Å; S478-T552 PolarHBondContact N-OG1 3.37Å; S478-T552 PolarHBondContact O-N 3.26Å; S478-T552 PolarHBondContact O-OG1 3.43Å; W490-T552 HydrophobicContact CZ3-CG2 4.11Å |
| 553 | F | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | P | Polyproline II helix | trans | -89.1 | 159.1 | 178.5 | -70.1 | -72.4 | 0 | 0 | 0 | 111.7 | L34 K35 E39 G42 V44 Y477 L551 R555 A556 | L34-F553 HydrophobicContact CB-CZ 4.15Å; K35-F553 VanDerWaalsContact CA-CE1 3.4Å; K35-F553 HydrophobicContact CB-CD1 4.32Å; K35-F553 HydrophobicContact CB-CE1 3.88Å; K35-F553 HydrophobicContact CG-CD1 4.29Å; K35-F553 HydrophobicContact CG-CE1 4.34Å; E39-F553 HydrophobicContact CB-CD1 4.39Å; E39-F553 HydrophobicContact CB-CG 4.33Å; E39-F553 HydrophobicContact CG-CB 4.28Å; E39-F553 HydrophobicContact CG-CG 4.31Å; G42-F553 WeakPolarHBondContact O-CD2 3.5Å; G42-F553 PolarHBondContact O-N 3.18Å; V44-F553 HydrophobicContact CB-CE2 4.25Å; V44-F553 HydrophobicContact CG1-CE2 3.77Å; V44-F553 HydrophobicContact CG1-CZ 3.81Å; Y477-F553 HydrophobicContact CD1-CD1 4.31Å; Y477-F553 AromaticContact CE1-CD1 3.49Å; Y477-F553 HydrophobicContact CE1-CD1 3.49Å; Y477-F553 VanDerWaalsContact CE1-CD1 3.49Å; Y477-F553 AromaticContact CE1-CE1 3.89Å; Y477-F553 HydrophobicContact CE1-CE1 3.89Å; L551-F553 HydrophobicContact CD2-CE1 4.26Å; L551-F553 HydrophobicContact CD2-CZ 4.39Å; F553-R555 PolarHBondContact O-N 3.26Å; F553-A556 HydrophobicContact CB-CB 4.34Å; F553-A556 WeakPolarHBondContact O-CB 3.5Å; F553-A556 PolarHBondContact O-N 3.37Å |
| 554 | P | 96.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 134.2 | 175.2 | -32.4 | 38.5 | 0 | 0 | 0 | 113.1 | W475 Y477 S495 A556 T581 | W475-P554 VanDerWaalsContact O-CA 3.32Å; W475-P554 WeakPolarHBondContact O-CA 3.39Å; W475-P554 VanDerWaalsContact O-CB 3.23Å; W475-P554 WeakPolarHBondContact O-CB 3.14Å; Y477-P554 HydrophobicContact CD2-CG 3.55Å; Y477-P554 VanDerWaalsContact CE2-CD 3.43Å; Y477-P554 HydrophobicContact CE2-CG 3.29Å; Y477-P554 HydrophobicContact CG-CG 4.27Å; Y477-P554 VanDerWaalsContact CZ-CD 3.45Å; S495-P554 WeakPolarHBondContact CB-O 3.4Å; P554-A556 PolarHBondContact O-N 3.48Å; P554-T581 HydrophobicContact CB-CG2 3.7Å; P554-T581 HydrophobicContact CG-CG2 4.49Å |
| 555 | R | 95.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 12 Ų | 12 | 18% | 0.181 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 16.9 | -176.8 | -156.7 | -174.5 | 171 | -174.6 | -8.3 | 114.5 | I471 W475 A498 T499 E502 F553 Y557 | I471-R555 HydrophobicContact CD1-CG 4.42Å; W475-R555 HydrophobicContact CB-CB 4.22Å; W475-R555 HydrophobicContact CD2-CB 3.83Å; W475-R555 HydrophobicContact CD2-CG 3.8Å; W475-R555 HydrophobicContact CE3-CB 4.22Å; W475-R555 HydrophobicContact CE3-CG 4.35Å; W475-R555 HydrophobicContact CG-CB 3.81Å; W475-R555 HydrophobicContact CG-CG 4.05Å; W475-R555 HydrophobicContact CZ2-CG 4.14Å; A498-R555 HydrophobicContact CB-CG 4.26Å; T499-R555 PolarHBondContact OG1-NH2 3.42Å; E502-R555 IonicContact OE1-CZ 3.74Å; E502-R555 IonicContact OE1-NE 3.7Å; E502-R555 IonicContact OE1-NH2 3.56Å; E502-R555 PolarHBondContact OE1-NH2 2.71Å; E502-R555 IonicContact OE2-NH2 2.69Å; F553-R555 PolarHBondContact O-N 3.26Å; R555-Y557 PolarHBondContact O-N 2.8Å |
| 556 | A | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 8.8 Ų | 8.8 | 2% | 0.017 | 5% | 0.052 | C | C | . | . | trans | -77.2 | 112 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | G42 V493 F553 P554 H558 | G42-A556 WeakPolarHBondContact O-CB 3.02Å; V493-A556 CarbonylContact O-C 3.51Å; V493-A556 WeakPolarHBondContact O-CA 3.44Å; V493-A556 WeakPolarHBondContact O-CB 3.39Å; F553-A556 HydrophobicContact CB-CB 4.34Å; F553-A556 WeakPolarHBondContact O-CB 3.5Å; F553-A556 PolarHBondContact O-N 3.37Å; P554-A556 PolarHBondContact O-N 3.48Å; A556-H558 PolarHBondContact O-N 3.1Å; A556-H558 PolarHBondContact O-ND1 3.3Å | ||
| 557 | Y | 97 | Very high | 95.9 | Very high | 4 Ų | 4 | 6.5 Ų | 6.5 | 2% | 0.016 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 127.8 | 174.2 | -90.4 | -78 | 0 | 0 | 0 | 109.6 | H470 I471 G492 V493 A498 F501 E502 L520 R555 | H470-Y557 CarbonylContact O-C 3.42Å; H470-Y557 VanDerWaalsContact O-CA 3.31Å; H470-Y557 WeakPolarHBondContact O-CA 3.48Å; I471-Y557 HydrophobicContact CG2-CD1 3.71Å; I471-Y557 HydrophobicContact CG2-CD2 3.69Å; I471-Y557 HydrophobicContact CG2-CE1 3.9Å; I471-Y557 HydrophobicContact CG2-CE2 3.89Å; I471-Y557 HydrophobicContact CG2-CG 3.6Å; G492-Y557 CarbonylContact C-O 3.55Å; V493-Y557 PolarHBondContact N-O 3.27Å; V493-Y557 PolarHBondContact O-N 3.22Å; A498-Y557 HydrophobicContact CB-CD2 4.07Å; A498-Y557 HydrophobicContact CB-CE2 4.18Å; F501-Y557 AromaticContact CD1-CD1 3.88Å; F501-Y557 HydrophobicContact CD1-CD1 3.88Å; F501-Y557 AromaticContact CD1-CD2 3.53Å; F501-Y557 HydrophobicContact CD1-CD2 3.53Å; F501-Y557 HydrophobicContact CD1-CE1 4.15Å; F501-Y557 AromaticContact CD1-CE2 3.82Å; F501-Y557 HydrophobicContact CD1-CE2 3.82Å; F501-Y557 AromaticContact CD1-CG 3.55Å; F501-Y557 HydrophobicContact CD1-CG 3.55Å; F501-Y557 AromaticContact CE1-CD1 3.37Å; F501-Y557 HydrophobicContact CE1-CD1 3.37Å; F501-Y557 AromaticContact CE1-CD2 3.95Å; F501-Y557 HydrophobicContact CE1-CD2 3.95Å; F501-Y557 AromaticContact CE1-CE1 3.69Å; F501-Y557 HydrophobicContact CE1-CE1 3.69Å; F501-Y557 HydrophobicContact CE1-CE2 4.22Å; F501-Y557 AromaticContact CE1-CG 3.52Å; F501-Y557 HydrophobicContact CE1-CG 3.52Å; F501-Y557 HydrophobicContact CG-CD2 4.29Å; F501-Y557 HydrophobicContact CG-CG 4.33Å; F501-Y557 HydrophobicContact CZ-CD1 4.09Å; F501-Y557 HydrophobicContact CZ-CG 4.25Å; E502-Y557 HydrophobicContact CG-CE2 3.87Å; L520-Y557 HydrophobicContact CB-CE1 4.35Å; L520-Y557 HydrophobicContact CD2-CE1 4.23Å; R555-Y557 PolarHBondContact O-N 2.8Å |
| 558 | H | 96.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 5.4 Ų | 5.4 | 2% | 0.019 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153.8 | -178.8 | 65.4 | -83.9 | 0 | 0 | 0 | 113 | I43 C468 W469 H470 E472 W490 Y491 A556 | I43-H558 HydrophobicContact CG2-CB 4.29Å; C468-H558 VanDerWaalsContact O-O 3.12Å; W469-H558 WeakPolarHBondContact CA-O 3.37Å; H470-H558 AromaticContact CE1-CD2 3.65Å; H470-H558 AromaticContact CE1-CE1 3.89Å; H470-H558 AromaticContact CE1-NE2 3.26Å; H470-H558 PolarHBondContact CE1-NE2 3.41Å; H470-H558 VanDerWaalsContact CE1-NE2 3.26Å; H470-H558 PolarHBondContact N-O 2.83Å; H470-H558 PolarHBondContact ND1-O 2.89Å; H470-H558 AromaticContact NE2-CE1 3.69Å; H470-H558 AromaticContact NE2-NE2 3.3Å; H470-H558 PolarHBondContact NE2-NE2 2.62Å; H470-H558 PolarHBondContact O-N 3.4Å; E472-H558 IonicContact OE1-CE1 3.88Å; E472-H558 PolarHBondContact OE1-CE1 2.72Å; E472-H558 VanDerWaalsContact OE1-CE1 3.3Å; E472-H558 IonicContact OE1-NE2 2.74Å; W490-H558 AromaticContact CZ3-CD2 3.58Å; Y491-H558 WeakPolarHBondContact O-CA 3.43Å; Y491-H558 WeakPolarHBondContact O-CB 3.27Å; A556-H558 PolarHBondContact O-N 3.1Å; A556-H558 PolarHBondContact O-ND1 3.3Å |
| 559 | A | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.018 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 170 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F467 W469 W490 Y491 L526 | F467-A559 WeakPolarHBondContact CE2-O 3.38Å; F467-A559 WeakPolarHBondContact O-CA 3.32Å; W469-A559 HydrophobicContact CB-CB 4.45Å; W469-A559 HydrophobicContact CD2-CB 3.5Å; W469-A559 VanDerWaalsContact CD2-CB 3.5Å; W469-A559 HydrophobicContact CE3-CB 3.65Å; W469-A559 HydrophobicContact CG-CB 3.87Å; W469-A559 HydrophobicContact CZ2-CB 4.4Å; W469-A559 HydrophobicContact CZ3-CB 4.17Å; W490-A559 CarbonylContact C-O 3.54Å; W490-A559 WeakPolarHBondContact CA-O 3.46Å; Y491-A559 PolarHBondContact N-O 3.25Å; Y491-A559 PolarHBondContact O-N 3.27Å; Y491-A559 VanDerWaalsContact O-N 3.09Å; L526-A559 HydrophobicContact CD1-CB 3.96Å |
| 560 | G | 96.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 4.6 Ų | 4.6 | 2% | 0.021 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | 178.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T466 F467 T489 | T466-G560 WeakPolarHBondContact CA-O 3.36Å; F467-G560 WeakPolarHBondContact CD1-O 3.38Å; F467-G560 VanDerWaalsContact CE1-C 3.42Å; F467-G560 VanDerWaalsContact CE2-N 3.3Å; F467-G560 VanDerWaalsContact CZ-CA 3.4Å; F467-G560 PolarHBondContact N-O 3.26Å; F467-G560 PolarHBondContact O-N 3.45Å; T489-G560 CarbonylContact O-C 3.56Å; T489-G560 WeakPolarHBondContact O-CA 3.1Å |
| 561 | F | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 159.4 | -179.2 | 75.1 | -81.7 | 0 | 0 | 0 | 112 | V364 E365 F368 S465 T489 Y491 H563 | V364-F561 HydrophobicContact CG1-CE2 3.95Å; E365-F561 HydrophobicContact CB-CE1 4.34Å; E365-F561 HydrophobicContact CB-CZ 3.83Å; E365-F561 HydrophobicContact CG-CE1 3.96Å; E365-F561 HydrophobicContact CG-CZ 3.98Å; F368-F561 HydrophobicContact CB-CD2 4.4Å; F368-F561 HydrophobicContact CB-CE2 4.33Å; F368-F561 HydrophobicContact CB-CZ 4.43Å; F368-F561 HydrophobicContact CD1-CB 4.45Å; F368-F561 AromaticContact CD1-CD1 3.55Å; F368-F561 HydrophobicContact CD1-CD1 3.55Å; F368-F561 AromaticContact CD1-CE1 3.93Å; F368-F561 HydrophobicContact CD1-CE1 3.93Å; F368-F561 AromaticContact CD1-CG 3.89Å; F368-F561 HydrophobicContact CD1-CG 3.89Å; F368-F561 HydrophobicContact CD2-CB 4.21Å; F368-F561 HydrophobicContact CD2-CD2 4.28Å; F368-F561 HydrophobicContact CD2-CG 4.07Å; F368-F561 HydrophobicContact CE1-CB 4.14Å; F368-F561 AromaticContact CE1-CD1 3.72Å; F368-F561 HydrophobicContact CE1-CD1 3.72Å; F368-F561 HydrophobicContact CE1-CE1 4.49Å; F368-F561 HydrophobicContact CE1-CG 4.03Å; F368-F561 HydrophobicContact CE2-CB 3.89Å; F368-F561 HydrophobicContact CE2-CG 4.21Å; F368-F561 HydrophobicContact CG-CB 4.47Å; F368-F561 AromaticContact CG-CD1 4Å; F368-F561 HydrophobicContact CG-CD1 4Å; F368-F561 HydrophobicContact CG-CD2 4.12Å; F368-F561 HydrophobicContact CG-CE1 4.33Å; F368-F561 HydrophobicContact CG-CE2 4.47Å; F368-F561 AromaticContact CG-CG 3.9Å; F368-F561 HydrophobicContact CG-CG 3.9Å; F368-F561 HydrophobicContact CZ-CB 3.84Å; F368-F561 HydrophobicContact CZ-CD1 4.3Å; F368-F561 HydrophobicContact CZ-CG 4.18Å; S465-F561 CarbonylContact O-C 3.12Å; S465-F561 WeakPolarHBondContact O-CA 3.11Å; S465-F561 WeakPolarHBondContact O-CB 3.11Å; T489-F561 VanDerWaalsContact CB-CE1 3.48Å; T489-F561 HydrophobicContact CG2-CD1 4.43Å; T489-F561 HydrophobicContact CG2-CE1 3.78Å; T489-F561 HydrophobicContact CG2-CZ 4.45Å; T489-F561 PolarHBondContact N-O 2.97Å; T489-F561 PolarHBondContact O-N 3.32Å; Y491-F561 HydrophobicContact CE2-CD1 4.3Å; Y491-F561 HydrophobicContact CE2-CE1 4.46Å; Y491-F561 WeakPolarHBondContact OH-CE1 3.43Å; F561-H563 AromaticContact CE2-CD2 3.94Å; F561-H563 AromaticContact CE2-CE1 3.82Å; F561-H563 AromaticContact CE2-NE2 3.69Å; F561-H563 AromaticContact CZ-CE1 3.75Å; F561-H563 AromaticContact CZ-NE2 3.61Å |
| 562 | N | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 139.8 | 178.3 | -59.7 | -66 | 0 | 0 | 0 | 111.6 | S462 F464 S465 R488 G564 N566 | S462-N562 WeakPolarHBondContact O-CB 3.46Å; F464-N562 PolarHBondContact N-O 3.29Å; S465-N562 PolarHBondContact O-N 3.18Å; S465-N562 PolarHBondContact O-ND2 3.01Å; S465-N562 WeakPolarHBondContact OG-CB 3.42Å; S465-N562 PolarHBondContact OG-ND2 3.48Å; R488-N562 VanDerWaalsContact CZ-OD1 3.29Å; R488-N562 PolarHBondContact NE-OD1 3.07Å; R488-N562 PolarHBondContact NH2-OD1 3.29Å; R488-N562 VanDerWaalsContact NH2-OD1 3.11Å; N562-G564 VanDerWaalsContact C-N 3.32Å; N562-N566 PolarHBondContact OD1-ND2 2.88Å; N562-N566 PolarHBondContact OD1-OD1 3.2Å; N562-N566 VanDerWaalsContact OD1-OD1 3.1Å |
| 563 | H | 94.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 5.1 Ų | 5.1 | 1% | 0.014 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -78.8 | -15.8 | -179.4 | -73.4 | -100.8 | 0 | 0 | 0 | 113.5 | K344 A361 E486 P487 T489 F561 | K344-H563 WeakPolarHBondContact CE-O 3.37Å; K344-H563 PolarHBondContact NZ-O 3.43Å; A361-H563 PolarHBondContact O-CE1 2.85Å; E486-H563 HydrophobicContact CB-CB 4.37Å; P487-H563 WeakPolarHBondContact O-CB 3.18Å; P487-H563 PolarHBondContact O-CD2 3.12Å; P487-H563 VanDerWaalsContact O-CD2 3.25Å; P487-H563 PolarHBondContact O-N 3.11Å; T489-H563 PolarHBondContact OG1-NE2 3.1Å; F561-H563 AromaticContact CE2-CD2 3.94Å; F561-H563 AromaticContact CE2-CE1 3.82Å; F561-H563 AromaticContact CE2-NE2 3.69Å; F561-H563 AromaticContact CZ-CE1 3.75Å; F561-H563 AromaticContact CZ-NE2 3.61Å |
| 564 | G | 92.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -176.8 | -153.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G461 S462 C463 E486 N562 N566 | G461-G564 CarbonylContact C-O 3.57Å; S462-G564 CarbonylContact C-O 3.55Å; S462-G564 WeakPolarHBondContact CA-O 3.44Å; C463-G564 PolarHBondContact N-O 2.99Å; E486-G564 WeakPolarHBondContact OE1-CA 3.19Å; N562-G564 VanDerWaalsContact C-N 3.32Å; G564-N566 PolarHBondContact O-N 3.18Å |
| 565 | L | 92 | Very high | 94.5 | Very high | 10 Ų | 10 | 5 Ų | 5 | 5% | 0.052 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -68.7 | 123.5 | 172.6 | -175.7 | 77.3 | 0 | 0 | 0 | 110.3 | F336 K337 V340 I460 G461 W484 G485 E486 | F336-L565 HydrophobicContact CD1-CD1 3.63Å; F336-L565 HydrophobicContact CE1-CD1 4.01Å; K337-L565 HydrophobicContact CB-CD2 3.61Å; K337-L565 HydrophobicContact CD-CD2 3.65Å; K337-L565 HydrophobicContact CG-CD2 3.66Å; V340-L565 HydrophobicContact CG1-CB 4.07Å; I460-L565 HydrophobicContact CG2-CD1 4.25Å; G461-L565 WeakPolarHBondContact O-CA 3.39Å; W484-L565 HydrophobicContact CH2-CD2 4.41Å; W484-L565 HydrophobicContact CZ3-CD2 3.95Å; W484-L565 HydrophobicContact CZ3-CG 4.04Å; G485-L565 WeakPolarHBondContact CA-O 3.47Å; E486-L565 PolarHBondContact N-O 3.36Å |
| 566 | N | 92.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 167.1 | 171.3 | 70.2 | 25 | 0 | 0 | 0 | 113.3 | I460 G461 L482 W484 E486 P487 N562 G564 | I460-N566 CarbonylContact C-O 3.58Å; I460-N566 WeakPolarHBondContact CA-O 3.49Å; G461-N566 PolarHBondContact N-O 3.39Å; G461-N566 PolarHBondContact O-N 2.9Å; L482-N566 HydrophobicContact CD1-CB 3.97Å; W484-N566 WeakPolarHBondContact O-CA 3.41Å; W484-N566 WeakPolarHBondContact O-CB 3.46Å; E486-N566 VanDerWaalsContact O-CB 3.25Å; E486-N566 WeakPolarHBondContact O-CB 3.19Å; E486-N566 PolarHBondContact O-ND2 3.25Å; P487-N566 PolarHBondContact O-ND2 3.04Å; N562-N566 PolarHBondContact OD1-ND2 2.88Å; N562-N566 PolarHBondContact OD1-OD1 3.2Å; N562-N566 VanDerWaalsContact OD1-OD1 3.1Å; G564-N566 PolarHBondContact O-N 3.18Å |
| 567 | C | 91.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 4 Ų | 4 | 2% | 0.02 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 113.6 | 177.1 | 179 | 0 | 0 | 0 | 0 | 109.7 | I460 H483 W484 | I460-C567 HydrophobicContact CD1-CB 3.93Å; I460-C567 VanDerWaalsContact CD1-SG 3.59Å; H483-C567 WeakPolarHBondContact CB-O 3.3Å; H483-C567 PolarHBondContact N-O 3.16Å; W484-C567 HydrophobicContact CD2-CB 3.75Å; W484-C567 HydrophobicContact CE3-CB 4.25Å; W484-C567 HydrophobicContact CG-CB 4.3Å; W484-C567 HydrophobicContact CH2-CB 3.93Å; W484-C567 HydrophobicContact CZ2-CB 3.38Å; W484-C567 HydrophobicContact CZ3-CB 4.33Å; W484-C567 PolarHBondContact O-N 3.47Å |
| 568 | A | 93.4 | Very high | 94 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 156.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | M458 H459 Y481 L482 | M458-A568 CarbonylContact C-O 3.49Å; M458-A568 WeakPolarHBondContact CA-O 3.36Å; H459-A568 PolarHBondContact N-O 3.47Å; H459-A568 PolarHBondContact O-N 3.12Å; Y481-A568 CarbonylContact O-C 3.57Å; Y481-A568 VanDerWaalsContact O-CA 3.29Å; Y481-A568 WeakPolarHBondContact O-CA 3.39Å; L482-A568 HydrophobicContact CD1-CB 3.76Å |
| 569 | E | 92.9 | Very high | 94 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.9 | 173 | -168.7 | 176.4 | 162.3 | 0 | 0 | 108.9 | T389 S394 G395 F396 L432 P456 S457 N480 Y481 H483 | T389-E569 HydrophobicContact CG2-CG 4.28Å; S394-E569 WeakPolarHBondContact CB-OE1 3.31Å; S394-E569 PolarHBondContact OG-OE1 3.1Å; S394-E569 PolarHBondContact OG-OE2 2.6Å; S394-E569 VanDerWaalsContact OG-OE2 3.07Å; G395-E569 WeakPolarHBondContact CA-OE2 3.37Å; G395-E569 PolarHBondContact N-OE2 2.73Å; F396-E569 WeakPolarHBondContact CD2-OE2 3.49Å; L432-E569 HydrophobicContact CD1-CB 4.36Å; L432-E569 HydrophobicContact CD1-CG 4.28Å; L432-E569 WeakPolarHBondContact CD1-O 3.34Å; P456-E569 HydrophobicContact CB-CG 4.05Å; P456-E569 WeakPolarHBondContact CB-OE1 3.43Å; S457-E569 CarbonylContact O-C 3.56Å; S457-E569 WeakPolarHBondContact O-CA 3.23Å; N480-E569 CarbonylContact C-O 3.56Å; N480-E569 WeakPolarHBondContact CA-O 3.29Å; Y481-E569 PolarHBondContact N-O 3.4Å; Y481-E569 PolarHBondContact O-N 3.24Å; H483-E569 IonicContact CD2-OE2 2.71Å; H483-E569 IonicContact CE1-OE2 3.08Å; H483-E569 WeakPolarHBondContact NE2-CB 3.44Å; H483-E569 IonicContact NE2-OE2 3.83Å; H483-E569 PolarHBondContact NE2-OE2 2.95Å |
| 570 | A | 94.5 | Very high | 93.8 | Very high | 14 Ų | 14 | 5.9 Ų | 5.9 | 12% | 0.116 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 153 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P456 S457 I479 N480 | P456-A570 CarbonylContact C-O 3.6Å; P456-A570 VanDerWaalsContact CA-O 3.3Å; P456-A570 WeakPolarHBondContact CA-O 3.34Å; S457-A570 PolarHBondContact N-O 2.76Å; S457-A570 PolarHBondContact O-N 2.95Å; I479-A570 VanDerWaalsContact O-CA 3.24Å; I479-A570 WeakPolarHBondContact O-CA 3.42Å; N480-A570 HydrophobicContact CB-CB 4.18Å |
| 571 | V | 93.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.012 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 151.5 | 171.7 | 77.2 | 0 | 0 | 0 | 0 | 110.8 | L432 A436 I453 P456 I479 L573 | L432-V571 HydrophobicContact CB-CG1 3.92Å; L432-V571 HydrophobicContact CD2-CG1 4.27Å; L432-V571 HydrophobicContact CG-CG1 4.45Å; A436-V571 HydrophobicContact CB-CG1 4.1Å; A436-V571 HydrophobicContact CB-CG2 3.62Å; I453-V571 VanDerWaalsContact O-CG2 3.31Å; I453-V571 WeakPolarHBondContact O-CG2 3.47Å; P456-V571 HydrophobicContact CB-CB 4.19Å; P456-V571 HydrophobicContact CB-CG2 4.38Å; P456-V571 HydrophobicContact CG-CB 4.13Å; P456-V571 HydrophobicContact CG-CG2 4.01Å; I479-V571 HydrophobicContact CG2-CG1 4.05Å; I479-V571 PolarHBondContact N-O 2.88Å; I479-V571 VanDerWaalsContact N-O 3.07Å; I479-V571 PolarHBondContact O-N 2.97Å; I479-V571 VanDerWaalsContact O-N 3.12Å; V571-L573 HydrophobicContact CG1-CD2 4.18Å |
| 572 | N | 93.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 7 Ų | 7 | 5% | 0.053 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 152.9 | 172.8 | -66.3 | 117.1 | 0 | 0 | 0 | 111.5 | L443 I453 E472 A476 Y477 | L443-N572 HydrophobicContact CD2-CB 4.5Å; L443-N572 VanDerWaalsContact CD2-O 3.24Å; L443-N572 WeakPolarHBondContact CD2-O 3.4Å; I453-N572 WeakPolarHBondContact CA-OD1 3.48Å; I453-N572 HydrophobicContact CG2-CB 3.81Å; I453-N572 PolarHBondContact O-N 3.45Å; E472-N572 VanDerWaalsContact CD-ND2 3.3Å; E472-N572 PolarHBondContact OE2-ND2 3.01Å; A476-N572 HydrophobicContact CB-CB 3.94Å; Y477-N572 CarbonylContact O-C 3.53Å; Y477-N572 VanDerWaalsContact O-CA 3.27Å; Y477-N572 WeakPolarHBondContact O-CA 3.33Å; Y477-N572 PolarHBondContact O-ND2 3.46Å |
| 573 | L | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144.6 | 176.9 | -55.9 | 175.3 | 0 | 0 | 0 | 110.8 | F31 L435 A436 Y477 I479 V571 P575 | F31-L573 HydrophobicContact CD2-CD1 4.24Å; F31-L573 HydrophobicContact CE2-CD1 3.57Å; F31-L573 HydrophobicContact CZ-CD1 4.14Å; L435-L573 HydrophobicContact CB-CD2 4.34Å; L435-L573 HydrophobicContact CD2-CD1 3.82Å; L435-L573 HydrophobicContact CD2-CD2 4.03Å; L435-L573 HydrophobicContact CG-CD1 4.13Å; L435-L573 HydrophobicContact CG-CD2 3.69Å; A436-L573 HydrophobicContact CB-CD2 4.47Å; Y477-L573 WeakPolarHBondContact CB-O 3.31Å; Y477-L573 PolarHBondContact N-O 3.44Å; Y477-L573 PolarHBondContact O-N 2.69Å; I479-L573 HydrophobicContact CB-CD1 4.25Å; I479-L573 HydrophobicContact CG2-CD1 3.68Å; I479-L573 HydrophobicContact CG2-CD2 4.49Å; I479-L573 HydrophobicContact CG2-CG 4.01Å; V571-L573 HydrophobicContact CG1-CD2 4.18Å; L573-P575 WeakPolarHBondContact O-CD 3.39Å |
| 574 | F | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -121.8 | 74.9 | 174.1 | -60.6 | -22 | 0 | 0 | 0 | 111.1 | S441 A442 L443 I446 I453 A476 W578 F598 L603 | S441-F574 CarbonylContact C-O 3.6Å; S441-F574 WeakPolarHBondContact CA-O 3.21Å; S441-F574 PolarHBondContact OG-N 2.96Å; A442-F574 HydrophobicContact CB-CB 3.74Å; A442-F574 HydrophobicContact CB-CD2 4.28Å; A442-F574 PolarHBondContact N-O 3.36Å; L443-F574 HydrophobicContact CB-CB 4.38Å; L443-F574 HydrophobicContact CB-CD2 3.61Å; L443-F574 HydrophobicContact CB-CE2 4.05Å; L443-F574 HydrophobicContact CB-CG 4.08Å; L443-F574 HydrophobicContact CD1-CD2 4.19Å; L443-F574 HydrophobicContact CD1-CE2 3.71Å; L443-F574 HydrophobicContact CD1-CZ 4.22Å; L443-F574 HydrophobicContact CG-CD2 4.4Å; L443-F574 HydrophobicContact CG-CE2 4.37Å; I446-F574 HydrophobicContact CD1-CE2 4.08Å; I453-F574 HydrophobicContact CG2-CZ 4.16Å; A476-F574 HydrophobicContact CB-CD1 4.06Å; A476-F574 HydrophobicContact CB-CE1 3.63Å; F574-W578 HydrophobicContact CB-CB 4.44Å; F574-W578 HydrophobicContact CB-CD2 3.72Å; F574-W578 HydrophobicContact CB-CE3 3.5Å; F574-W578 VanDerWaalsContact CB-CE3 3.5Å; F574-W578 HydrophobicContact CB-CG 4.15Å; F574-W578 HydrophobicContact CB-CZ3 4.01Å; F574-W578 AromaticContact CD1-CD2 3.53Å; F574-W578 HydrophobicContact CD1-CD2 3.53Å; F574-W578 AromaticContact CD1-CE2 3.38Å; F574-W578 HydrophobicContact CD1-CE3 4.03Å; F574-W578 AromaticContact CD1-CG 3.95Å; F574-W578 HydrophobicContact CD1-CG 3.95Å; F574-W578 HydrophobicContact CD1-CH2 4.17Å; F574-W578 AromaticContact CD1-CZ2 3.72Å; F574-W578 HydrophobicContact CD1-CZ2 3.72Å; F574-W578 HydrophobicContact CD1-CZ3 4.32Å; F574-W578 AromaticContact CD1-NE1 3.73Å; F574-W578 HydrophobicContact CD2-CD2 4.37Å; F574-W578 HydrophobicContact CD2-CE3 4.04Å; F574-W578 AromaticContact CD2-CH2 3.69Å; F574-W578 HydrophobicContact CD2-CH2 3.69Å; F574-W578 HydrophobicContact CD2-CZ2 4.06Å; F574-W578 AromaticContact CD2-CZ3 3.69Å; F574-W578 HydrophobicContact CD2-CZ3 3.69Å; F574-W578 HydrophobicContact CE1-CD2 4.27Å; F574-W578 AromaticContact CE1-CE2 3.65Å; F574-W578 HydrophobicContact CE1-CH2 4.23Å; F574-W578 AromaticContact CE1-CZ2 3.62Å; F574-W578 HydrophobicContact CE1-CZ2 3.62Å; F574-W578 AromaticContact CE1-NE1 3.93Å; F574-W578 AromaticContact CE2-CH2 3.77Å; F574-W578 HydrophobicContact CE2-CH2 3.77Å; F574-W578 AromaticContact CE2-CZ2 3.98Å; F574-W578 HydrophobicContact CE2-CZ2 3.98Å; F574-W578 HydrophobicContact CE2-CZ3 4.25Å; F574-W578 AromaticContact CG-CD2 3.63Å; F574-W578 HydrophobicContact CG-CD2 3.63Å; F574-W578 AromaticContact CG-CE2 3.84Å; F574-W578 AromaticContact CG-CE3 3.61Å; F574-W578 HydrophobicContact CG-CE3 3.61Å; F574-W578 HydrophobicContact CG-CG 4.29Å; F574-W578 AromaticContact CG-CH2 3.94Å; F574-W578 HydrophobicContact CG-CH2 3.94Å; F574-W578 AromaticContact CG-CZ2 3.99Å; F574-W578 HydrophobicContact CG-CZ2 3.99Å; F574-W578 AromaticContact CG-CZ3 3.77Å; F574-W578 HydrophobicContact CG-CZ3 3.77Å; F574-W578 HydrophobicContact CZ-CH2 4.06Å; F574-W578 AromaticContact CZ-CZ2 3.78Å; F574-W578 HydrophobicContact CZ-CZ2 3.78Å; F574-F598 AromaticContact CE2-CE1 3.97Å; F574-F598 HydrophobicContact CE2-CE1 3.97Å; F574-F598 AromaticContact CE2-CZ 3.57Å; F574-F598 HydrophobicContact CE2-CZ 3.57Å; F574-F598 AromaticContact CZ-CE1 3.83Å; F574-F598 HydrophobicContact CZ-CE1 3.83Å; F574-F598 AromaticContact CZ-CZ 3.66Å; F574-F598 HydrophobicContact CZ-CZ 3.66Å; F574-L603 HydrophobicContact CD2-CD2 4.46Å | ||
| 575 | P | 94.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 14.9 Ų | 14.9 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | trans | -57.5 | 167.5 | 171 | -21.4 | 34.2 | 0 | 0 | 0 | 112.3 | F28 Y477 L573 D577 W578 | F28-P575 HydrophobicContact CD1-CB 4.12Å; F28-P575 HydrophobicContact CD1-CG 4.13Å; F28-P575 HydrophobicContact CE1-CG 4.33Å; Y477-P575 VanDerWaalsContact CD2-CD 3.48Å; Y477-P575 HydrophobicContact CD2-CG 3.79Å; Y477-P575 HydrophobicContact CE2-CG 3.92Å; Y477-P575 HydrophobicContact CG-CG 4.29Å; L573-P575 WeakPolarHBondContact O-CD 3.39Å; P575-D577 VanDerWaalsContact C-N 3.29Å; P575-D577 PolarHBondContact O-N 3.46Å; P575-D577 VanDerWaalsContact O-N 3.16Å; P575-W578 VanDerWaalsContact O-CB 3.28Å; P575-W578 WeakPolarHBondContact O-CB 3.42Å; P575-W578 PolarHBondContact O-N 3Å | ||
| 576 | A | 92.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 5% | 0.05 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -42.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W578 I579 E616 M617 E620 | A576-W578 PolarHBondContact O-N 3.49Å; A576-I579 WeakPolarHBondContact O-CG1 3.19Å; A576-I579 PolarHBondContact O-N 3.1Å; A576-E616 HydrophobicContact CB-CB 4.18Å; A576-M617 HydrophobicContact CB-CB 4.46Å; A576-M617 HydrophobicContact CB-CE 4.48Å; A576-M617 HydrophobicContact CB-SD 4.09Å; A576-E620 HydrophobicContact CB-CB 4.46Å; A576-E620 HydrophobicContact CB-CG 4.27Å; A576-E620 WeakPolarHBondContact O-CB 3.37Å |
| 577 | D | 91.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 18 Ų | 18 | 12% | 0.123 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9 | 178.7 | 64.9 | -82 | 0 | 0 | 0 | 114.4 | K35 Y477 P575 S580 T581 | K35-D577 WeakPolarHBondContact CD-OD2 3.48Å; K35-D577 VanDerWaalsContact CE-OD2 3.26Å; K35-D577 WeakPolarHBondContact CE-OD2 3.49Å; K35-D577 IonicContact NZ-OD2 3.96Å; K35-D577 PolarHBondContact NZ-OD2 3.18Å; Y477-D577 PolarHBondContact OH-OD2 3.32Å; Y477-D577 VanDerWaalsContact OH-OD2 3.07Å; P575-D577 VanDerWaalsContact C-N 3.29Å; P575-D577 PolarHBondContact O-N 3.46Å; P575-D577 VanDerWaalsContact O-N 3.16Å; D577-S580 PolarHBondContact O-OG 3.23Å; D577-T581 PolarHBondContact O-OG1 3.43Å |
| 578 | W | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.5 | -25.5 | 170 | 171.4 | 88.9 | 0 | 0 | 0 | 112.1 | A442 H474 F574 P575 A576 S580 T581 G582 F598 H600 L603 | A442-W578 HydrophobicContact CB-CE3 4.37Å; A442-W578 HydrophobicContact CB-CZ3 4.24Å; H474-W578 HydrophobicContact CB-CZ2 3.87Å; H474-W578 PolarHBondContact O-NE1 2.88Å; F574-W578 HydrophobicContact CB-CB 4.44Å; F574-W578 HydrophobicContact CB-CD2 3.72Å; F574-W578 HydrophobicContact CB-CE3 3.5Å; F574-W578 VanDerWaalsContact CB-CE3 3.5Å; F574-W578 HydrophobicContact CB-CG 4.15Å; F574-W578 HydrophobicContact CB-CZ3 4.01Å; F574-W578 AromaticContact CD1-CD2 3.53Å; F574-W578 HydrophobicContact CD1-CD2 3.53Å; F574-W578 AromaticContact CD1-CE2 3.38Å; F574-W578 HydrophobicContact CD1-CE3 4.03Å; F574-W578 AromaticContact CD1-CG 3.95Å; F574-W578 HydrophobicContact CD1-CG 3.95Å; F574-W578 HydrophobicContact CD1-CH2 4.17Å; F574-W578 AromaticContact CD1-CZ2 3.72Å; F574-W578 HydrophobicContact CD1-CZ2 3.72Å; F574-W578 HydrophobicContact CD1-CZ3 4.32Å; F574-W578 AromaticContact CD1-NE1 3.73Å; F574-W578 HydrophobicContact CD2-CD2 4.37Å; F574-W578 HydrophobicContact CD2-CE3 4.04Å; F574-W578 AromaticContact CD2-CH2 3.69Å; F574-W578 HydrophobicContact CD2-CH2 3.69Å; F574-W578 HydrophobicContact CD2-CZ2 4.06Å; F574-W578 AromaticContact CD2-CZ3 3.69Å; F574-W578 HydrophobicContact CD2-CZ3 3.69Å; F574-W578 HydrophobicContact CE1-CD2 4.27Å; F574-W578 AromaticContact CE1-CE2 3.65Å; F574-W578 HydrophobicContact CE1-CH2 4.23Å; F574-W578 AromaticContact CE1-CZ2 3.62Å; F574-W578 HydrophobicContact CE1-CZ2 3.62Å; F574-W578 AromaticContact CE1-NE1 3.93Å; F574-W578 AromaticContact CE2-CH2 3.77Å; F574-W578 HydrophobicContact CE2-CH2 3.77Å; F574-W578 AromaticContact CE2-CZ2 3.98Å; F574-W578 HydrophobicContact CE2-CZ2 3.98Å; F574-W578 HydrophobicContact CE2-CZ3 4.25Å; F574-W578 AromaticContact CG-CD2 3.63Å; F574-W578 HydrophobicContact CG-CD2 3.63Å; F574-W578 AromaticContact CG-CE2 3.84Å; F574-W578 AromaticContact CG-CE3 3.61Å; F574-W578 HydrophobicContact CG-CE3 3.61Å; F574-W578 HydrophobicContact CG-CG 4.29Å; F574-W578 AromaticContact CG-CH2 3.94Å; F574-W578 HydrophobicContact CG-CH2 3.94Å; F574-W578 AromaticContact CG-CZ2 3.99Å; F574-W578 HydrophobicContact CG-CZ2 3.99Å; F574-W578 AromaticContact CG-CZ3 3.77Å; F574-W578 HydrophobicContact CG-CZ3 3.77Å; F574-W578 HydrophobicContact CZ-CH2 4.06Å; F574-W578 AromaticContact CZ-CZ2 3.78Å; F574-W578 HydrophobicContact CZ-CZ2 3.78Å; P575-W578 VanDerWaalsContact O-CB 3.28Å; P575-W578 WeakPolarHBondContact O-CB 3.42Å; P575-W578 PolarHBondContact O-N 3Å; A576-W578 PolarHBondContact O-N 3.49Å; W578-S580 PolarHBondContact O-N 3.11Å; W578-T581 CarbonylContact O-C 3.52Å; W578-T581 WeakPolarHBondContact O-CA 3.22Å; W578-T581 WeakPolarHBondContact O-CB 3.25Å; W578-T581 PolarHBondContact O-N 3.23Å; W578-T581 VanDerWaalsContact O-N 3.08Å; W578-G582 PolarHBondContact O-N 3.45Å; W578-F598 HydrophobicContact CH2-CE2 4.23Å; W578-F598 AromaticContact CH2-CZ 3.94Å; W578-F598 HydrophobicContact CH2-CZ 3.94Å; W578-F598 HydrophobicContact CZ2-CZ 4.2Å; W578-H600 AromaticContact CH2-ND1 3.78Å; W578-L603 HydrophobicContact CH2-CD2 3.86Å; W578-L603 HydrophobicContact CZ3-CD2 3.78Å |
| 579 | I | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.4 | -57.3 | -175.6 | -59.6 | 175 | 0 | 0 | 0 | 110.6 | A576 T581 G582 R583 H600 V604 M607 M617 E620 L621 D624 | A576-I579 WeakPolarHBondContact O-CG1 3.19Å; A576-I579 PolarHBondContact O-N 3.1Å; I579-T581 VanDerWaalsContact C-N 3.3Å; I579-T581 PolarHBondContact O-N 3.11Å; I579-G582 PolarHBondContact O-N 3.33Å; I579-G582 VanDerWaalsContact O-N 3.13Å; I579-R583 PolarHBondContact O-N 3.46Å; I579-H600 PolarHBondContact O-CE1 2.84Å; I579-H600 PolarHBondContact O-NE2 3.22Å; I579-V604 HydrophobicContact CG2-CG2 4.2Å; I579-M607 HydrophobicContact CD1-CE 3.86Å; I579-M617 HydrophobicContact CD1-SD 3.77Å; I579-M617 HydrophobicContact CG1-SD 4.36Å; I579-E620 HydrophobicContact CD1-CB 4.1Å; I579-L621 HydrophobicContact CD1-CB 4.03Å; I579-L621 HydrophobicContact CD1-CD1 4.49Å; I579-D624 HydrophobicContact CG2-CB 3.56Å |
| 580 | S | 92.3 | Very high | 93 | Very high | 45 Ų | 45 | 22.1 Ų | 22.1 | 32% | 0.315 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 177.7 | 44.1 | 0 | 0 | 0 | 0 | 112.3 | D577 W578 G582 R583 E584 E620 | D577-S580 PolarHBondContact O-OG 3.23Å; W578-S580 PolarHBondContact O-N 3.11Å; S580-G582 VanDerWaalsContact C-N 3.35Å; S580-G582 PolarHBondContact O-N 3.39Å; S580-R583 PolarHBondContact O-N 3.31Å; S580-E584 PolarHBondContact O-N 3.3Å; S580-E620 PolarHBondContact OG-OE2 3.16Å |
| 581 | T | 94 | Very high | 92.5 | Very high | 25 Ų | 25 | 28.8 Ų | 28.8 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 175.7 | -49.7 | 0 | 0 | 0 | 0 | 112.9 | W475 P554 D577 W578 I579 E584 C585 | W475-T581 HydrophobicContact CB-CG2 4.45Å; W475-T581 HydrophobicContact CE3-CG2 4.16Å; P554-T581 HydrophobicContact CB-CG2 3.7Å; P554-T581 HydrophobicContact CG-CG2 4.49Å; D577-T581 PolarHBondContact O-OG1 3.43Å; W578-T581 CarbonylContact O-C 3.52Å; W578-T581 WeakPolarHBondContact O-CA 3.22Å; W578-T581 WeakPolarHBondContact O-CB 3.25Å; W578-T581 PolarHBondContact O-N 3.23Å; W578-T581 VanDerWaalsContact O-N 3.08Å; I579-T581 VanDerWaalsContact C-N 3.3Å; I579-T581 PolarHBondContact O-N 3.11Å; T581-E584 PolarHBondContact O-N 2.74Å; T581-C585 PolarHBondContact O-N 3Å |
| 582 | G | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W578 I579 S580 C585 I586 | W578-G582 PolarHBondContact O-N 3.45Å; I579-G582 PolarHBondContact O-N 3.33Å; I579-G582 VanDerWaalsContact O-N 3.13Å; S580-G582 VanDerWaalsContact C-N 3.35Å; S580-G582 PolarHBondContact O-N 3.39Å; G582-C585 VanDerWaalsContact O-CB 3.31Å; G582-C585 WeakPolarHBondContact O-CB 3.39Å; G582-C585 PolarHBondContact O-N 2.8Å; G582-C585 VanDerWaalsContact O-N 3.16Å; G582-I586 WeakPolarHBondContact O-CG1 3.43Å; G582-I586 PolarHBondContact O-N 3.01Å |
| 583 | R | 95.2 | Very high | 90.5 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 173.2 | -174 | 166.9 | -64.6 | -73.4 | -4.8 | 112.5 | I579 S580 C585 I586 A587 D601 D624 | I579-R583 PolarHBondContact O-N 3.46Å; S580-R583 PolarHBondContact O-N 3.31Å; R583-C585 VanDerWaalsContact C-N 3.34Å; R583-I586 PolarHBondContact O-N 3.23Å; R583-A587 PolarHBondContact O-N 2.83Å; R583-D601 IonicContact CZ-OD1 2.66Å; R583-D601 IonicContact NH1-OD1 3.12Å; R583-D601 PolarHBondContact NH1-OD1 2.93Å; R583-D601 IonicContact NH2-OD1 3.89Å; R583-D601 PolarHBondContact NH2-OD1 3.19Å; R583-D624 VanDerWaalsContact CD-OD1 3.25Å; R583-D624 WeakPolarHBondContact CD-OD1 3.48Å; R583-D624 IonicContact CZ-OD1 3.3Å; R583-D624 IonicContact CZ-OD2 2.75Å; R583-D624 IonicContact NE-OD1 3.94Å; R583-D624 PolarHBondContact NE-OD1 2.87Å; R583-D624 IonicContact NE-OD2 3.56Å; R583-D624 PolarHBondContact NE-OD2 3.33Å; R583-D624 IonicContact NH2-OD1 2.63Å; R583-D624 IonicContact NH2-OD2 3.89Å; R583-D624 PolarHBondContact NH2-OD2 2.88Å |
| 584 | E | 94 | Very high | 89.6 | Confident | 129 Ų | 129 | 39.8 Ų | 39.8 | 60% | 0.603 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -63.4 | -39.2 | 170.8 | -67.1 | -171.7 | 179.5 | 0 | 0 | 112.1 | W475 S580 T581 I586 A587 N588 | W475-E584 HydrophobicContact CZ3-CB 3.89Å; S580-E584 PolarHBondContact O-N 3.3Å; T581-E584 PolarHBondContact O-N 2.74Å; E584-I586 PolarHBondContact O-N 3.04Å; E584-A587 WeakPolarHBondContact O-CB 3.48Å; E584-A587 PolarHBondContact O-N 3.39Å; E584-N588 PolarHBondContact O-N 2.8Å; E584-N588 VanDerWaalsContact O-N 3.11Å |
| 585 | C | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 175.6 | -166.7 | 0 | 0 | 0 | 0 | 112.1 | H474 W475 T581 G582 R583 A587 N588 Y589 | H474-C585 VanDerWaalsContact CA-SG 3.5Å; W475-C585 HydrophobicContact CB-CB 4.2Å; W475-C585 HydrophobicContact CD2-CB 3.58Å; W475-C585 VanDerWaalsContact CD2-SG 3.53Å; W475-C585 HydrophobicContact CE3-CB 3.7Å; W475-C585 HydrophobicContact CG-CB 3.82Å; W475-C585 HydrophobicContact CZ3-CB 4.28Å; W475-C585 PolarHBondContact NE1-SG 3.5Å; T581-C585 PolarHBondContact O-N 3Å; G582-C585 VanDerWaalsContact O-CB 3.31Å; G582-C585 WeakPolarHBondContact O-CB 3.39Å; G582-C585 PolarHBondContact O-N 2.8Å; G582-C585 VanDerWaalsContact O-N 3.16Å; R583-C585 VanDerWaalsContact C-N 3.34Å; C585-A587 VanDerWaalsContact C-N 3.29Å; C585-A587 PolarHBondContact O-N 3.36Å; C585-N588 CarbonylContact O-C 3.54Å; C585-N588 PolarHBondContact O-N 3.46Å; C585-N588 VanDerWaalsContact O-N 3.14Å; C585-Y589 WeakPolarHBondContact O-CD1 3.24Å; C585-Y589 PolarHBondContact O-N 2.79Å; C585-Y589 WeakPolarHBondContact SG-CE1 3.37Å |
| 586 | I | 94.3 | Very high | 88.3 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.087 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -36.3 | 175.1 | -63.9 | -61.2 | 0 | 0 | 0 | 111.9 | G582 R583 E584 Y589 K590 C596 H600 T665 | G582-I586 WeakPolarHBondContact O-CG1 3.43Å; G582-I586 PolarHBondContact O-N 3.01Å; R583-I586 PolarHBondContact O-N 3.23Å; E584-I586 PolarHBondContact O-N 3.04Å; I586-Y589 HydrophobicContact CD1-CD2 4.4Å; I586-Y589 PolarHBondContact O-N 3.03Å; I586-K590 WeakPolarHBondContact O-CG 3.45Å; I586-K590 PolarHBondContact O-N 3.37Å; I586-C596 HydrophobicContact CD1-CB 4.28Å; I586-H600 HydrophobicContact CD1-CB 4.24Å; I586-H600 HydrophobicContact CG1-CB 3.68Å; I586-T665 HydrophobicContact CG2-CG2 3.99Å |
| 587 | A | 92.6 | Very high | 87.9 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | R583 E584 C585 K590 E591 | R583-A587 PolarHBondContact O-N 2.83Å; E584-A587 WeakPolarHBondContact O-CB 3.48Å; E584-A587 PolarHBondContact O-N 3.39Å; C585-A587 VanDerWaalsContact C-N 3.29Å; C585-A587 PolarHBondContact O-N 3.36Å; A587-K590 WeakPolarHBondContact O-CB 3.42Å; A587-K590 PolarHBondContact O-N 2.9Å; A587-E591 PolarHBondContact O-N 3.34Å |
| 588 | N | 89.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.3 | -29.9 | 174.2 | -177.7 | -115.8 | 0 | 0 | 0 | 113.2 | W475 E584 C585 E591 S592 | W475-N588 HydrophobicContact CH2-CB 3.88Å; W475-N588 HydrophobicContact CZ2-CB 3.73Å; E584-N588 PolarHBondContact O-N 2.8Å; E584-N588 VanDerWaalsContact O-N 3.11Å; C585-N588 CarbonylContact O-C 3.54Å; C585-N588 PolarHBondContact O-N 3.46Å; C585-N588 VanDerWaalsContact O-N 3.14Å; N588-E591 PolarHBondContact ND2-OE2 3.5Å; N588-E591 PolarHBondContact O-N 2.93Å; N588-S592 WeakPolarHBondContact O-CB 3.5Å; N588-S592 PolarHBondContact O-N 2.94Å; N588-S592 PolarHBondContact O-OG 3.37Å |
| 589 | Y | 86 | Confident | 87.5 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.5 | -35.4 | 172.9 | -74 | 7.5 | 0 | 0 | 0 | 112 | H474 C585 I586 S592 R593 R594 | H474-Y589 PolarHBondContact N-OH 3.12Å; C585-Y589 WeakPolarHBondContact O-CD1 3.24Å; C585-Y589 PolarHBondContact O-N 2.79Å; C585-Y589 WeakPolarHBondContact SG-CE1 3.37Å; I586-Y589 HydrophobicContact CD1-CD2 4.4Å; I586-Y589 PolarHBondContact O-N 3.03Å; Y589-S592 WeakPolarHBondContact CA-OG 3.41Å; Y589-S592 PolarHBondContact O-OG 3.1Å; Y589-R593 CarbonylContact O-C 3.57Å; Y589-R593 WeakPolarHBondContact O-CA 3.25Å; Y589-R593 PolarHBondContact O-N 2.79Å; Y589-R594 HydrophobicContact CD1-CB 4.19Å; Y589-R594 VanDerWaalsContact CE2-NH1 3.3Å; Y589-R594 HydrophobicContact CG-CB 4.07Å; Y589-R594 HydrophobicContact CG-CG 4.49Å; Y589-R594 PolarHBondContact O-N 3.2Å; Y589-R594 PolarHBondContact OH-NH1 3.4Å; Y589-R594 VanDerWaalsContact OH-NH1 3.12Å |
| 590 | K | 87.6 | Confident | 87.5 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 170.2 | -74.4 | 170.7 | 177.6 | -174.5 | 0 | 111.7 | I586 A587 R593 C663 T665 E686 | I586-K590 WeakPolarHBondContact O-CG 3.45Å; I586-K590 PolarHBondContact O-N 3.37Å; A587-K590 WeakPolarHBondContact O-CB 3.42Å; A587-K590 PolarHBondContact O-N 2.9Å; K590-R593 PolarHBondContact O-N 2.87Å; K590-C663 HydrophobicContact CB-CB 4.27Å; K590-C663 HydrophobicContact CG-CB 4.45Å; K590-T665 WeakPolarHBondContact CG-OG1 3.42Å; K590-E686 WeakPolarHBondContact CD-OE2 3.32Å; K590-E686 VanDerWaalsContact CE-OE2 3.25Å; K590-E686 WeakPolarHBondContact CE-OE2 3.19Å; K590-E686 IonicContact NZ-OE1 2.86Å; K590-E686 PolarHBondContact NZ-OE1 3.1Å; K590-E686 IonicContact NZ-OE2 2.91Å; K590-E686 PolarHBondContact NZ-OE2 3.2Å |
| 591 | E | 82.5 | Confident | 87.6 | Confident | 154 Ų | 154 | 44.6 Ų | 44.6 | 72% | 0.72 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.8 | -47.8 | -178.9 | -176.8 | -176.5 | -155.2 | 0 | 0 | 112.2 | A587 N588 R593 | A587-E591 PolarHBondContact O-N 3.34Å; N588-E591 PolarHBondContact ND2-OE2 3.5Å; N588-E591 PolarHBondContact O-N 2.93Å; E591-R593 PolarHBondContact O-N 2.98Å |
| 592 | S | 70.4 | Confident | 87.6 | Confident | 31 Ų | 31 | 44 Ų | 44 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.1 | -1.9 | 177.6 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | N588 Y589 R594 | N588-S592 WeakPolarHBondContact O-CB 3.5Å; N588-S592 PolarHBondContact O-N 2.94Å; N588-S592 PolarHBondContact O-OG 3.37Å; Y589-S592 WeakPolarHBondContact CA-OG 3.41Å; Y589-S592 PolarHBondContact O-OG 3.1Å; S592-R594 PolarHBondContact O-N 2.95Å |
| 593 | R | 75.9 | Confident | 87.5 | Confident | 165 Ų | 165 | 44.1 Ų | 44.1 | 62% | 0.623 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 33.3 | -173.9 | -50.8 | -178.2 | -176 | -177.6 | -0.1 | 113.2 | Y589 K590 E591 I662 R664 | Y589-R593 CarbonylContact O-C 3.57Å; Y589-R593 WeakPolarHBondContact O-CA 3.25Å; Y589-R593 PolarHBondContact O-N 2.79Å; K590-R593 PolarHBondContact O-N 2.87Å; E591-R593 PolarHBondContact O-N 2.98Å; R593-I662 WeakPolarHBondContact CD-O 3.47Å; R593-R664 HydrophobicContact CB-CG 4.46Å; R593-R664 WeakPolarHBondContact O-CB 3.43Å; R593-R664 WeakPolarHBondContact O-CG 3.32Å |
| 594 | R | 73.5 | Confident | 87.5 | Confident | 46 Ų | 46 | 42.2 Ų | 42.2 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -81.3 | 130.6 | -179.3 | -168.2 | 178.8 | -174 | -90.6 | 5.8 | 110.5 | D473 Y589 S592 C596 | D473-R594 IonicContact OD1-CZ 3.36Å; D473-R594 IonicContact OD1-NH1 2.74Å; D473-R594 PolarHBondContact OD1-NH1 3.23Å; D473-R594 IonicContact OD1-NH2 3.16Å; D473-R594 PolarHBondContact OD1-NH2 3.31Å; D473-R594 IonicContact OD2-NH2 3.63Å; Y589-R594 HydrophobicContact CD1-CB 4.19Å; Y589-R594 VanDerWaalsContact CE2-NH1 3.3Å; Y589-R594 HydrophobicContact CG-CB 4.07Å; Y589-R594 HydrophobicContact CG-CG 4.49Å; Y589-R594 PolarHBondContact O-N 3.2Å; Y589-R594 PolarHBondContact OH-NH1 3.4Å; Y589-R594 VanDerWaalsContact OH-NH1 3.12Å; S592-R594 PolarHBondContact O-N 2.95Å; R594-C596 PolarHBondContact O-N 2.88Å |
| 595 | T | 78 | Confident | 87.5 | Confident | 60 Ų | 60 | 36.3 Ų | 36.3 | 37% | 0.368 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -59.9 | 135.3 | 171.9 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 596 | C | 84.1 | Confident | 87.4 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.034 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -87.2 | 137.9 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | I586 R594 F598 | I586-C596 HydrophobicContact CD1-CB 4.28Å; R594-C596 PolarHBondContact O-N 2.88Å; C596-F598 VanDerWaalsContact C-N 3.29Å; C596-F598 WeakPolarHBondContact CB-O 3.39Å; C596-F598 PolarHBondContact O-N 3.2Å |
| 597 | V | 84.4 | Confident | 87.3 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 35% | 0.345 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -71.1 | -26.9 | 179.2 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | I450 I453 D473 H474 | I450-V597 HydrophobicContact CD1-CG1 4.46Å; I450-V597 HydrophobicContact CG2-CG1 3.66Å; I453-V597 HydrophobicContact CD1-CB 4.37Å; I453-V597 HydrophobicContact CD1-CG1 4.01Å; I453-V597 HydrophobicContact CD1-CG2 4.42Å; D473-V597 HydrophobicContact CB-CG2 4.22Å; H474-V597 PolarHBondContact NE2-N 3.42Å |
| 598 | F | 87.2 | Confident | 87.4 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -153.2 | 168.8 | 172.4 | 58.7 | -91.9 | 0 | 0 | 0 | 108.5 | I446 I450 H474 F574 W578 C596 L603 | I446-F598 HydrophobicContact CD1-CD1 3.84Å; I446-F598 HydrophobicContact CD1-CD2 3.9Å; I446-F598 HydrophobicContact CD1-CE1 3.81Å; I446-F598 HydrophobicContact CD1-CE2 3.89Å; I446-F598 HydrophobicContact CD1-CG 3.9Å; I446-F598 HydrophobicContact CD1-CZ 3.85Å; I450-F598 HydrophobicContact CD1-CB 3.94Å; I450-F598 HydrophobicContact CD1-CD1 3.65Å; I450-F598 HydrophobicContact CD1-CG 4.14Å; H474-F598 HydrophobicContact CB-CZ 4.39Å; H474-F598 AromaticContact CD2-CD1 3.82Å; H474-F598 AromaticContact CD2-CE1 3.26Å; H474-F598 WeakPolarHBondContact CD2-CE1 3.48Å; H474-F598 AromaticContact CD2-CZ 3.72Å; H474-F598 AromaticContact CE1-CD1 3.97Å; H474-F598 AromaticContact CE1-CE1 3.85Å; H474-F598 AromaticContact CE1-CZ 3.88Å; H474-F598 PolarHBondContact CE1-O 3.3Å; H474-F598 AromaticContact CG-CE1 3.89Å; H474-F598 AromaticContact CG-CZ 3.85Å; H474-F598 AromaticContact ND1-CZ 3.99Å; H474-F598 AromaticContact NE2-CD1 3.3Å; H474-F598 VanDerWaalsContact NE2-CD1 3.3Å; H474-F598 WeakPolarHBondContact NE2-CD1 3.21Å; H474-F598 AromaticContact NE2-CE1 3.23Å; H474-F598 WeakPolarHBondContact NE2-CE1 3.27Å; H474-F598 AromaticContact NE2-CG 3.87Å; H474-F598 AromaticContact NE2-CZ 3.73Å; F574-F598 AromaticContact CE2-CE1 3.97Å; F574-F598 HydrophobicContact CE2-CE1 3.97Å; F574-F598 AromaticContact CE2-CZ 3.57Å; F574-F598 HydrophobicContact CE2-CZ 3.57Å; F574-F598 AromaticContact CZ-CE1 3.83Å; F574-F598 HydrophobicContact CZ-CE1 3.83Å; F574-F598 AromaticContact CZ-CZ 3.66Å; F574-F598 HydrophobicContact CZ-CZ 3.66Å; W578-F598 HydrophobicContact CH2-CE2 4.23Å; W578-F598 AromaticContact CH2-CZ 3.94Å; W578-F598 HydrophobicContact CH2-CZ 3.94Å; W578-F598 HydrophobicContact CZ2-CZ 4.2Å; C596-F598 VanDerWaalsContact C-N 3.29Å; C596-F598 WeakPolarHBondContact CB-O 3.39Å; C596-F598 PolarHBondContact O-N 3.2Å; F598-L603 HydrophobicContact CE2-CB 4.44Å; F598-L603 HydrophobicContact CE2-CD2 3.84Å; F598-L603 HydrophobicContact CZ-CD2 4.43Å |
| 599 | S | 91.6 | Very high | 87.3 | Confident | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | trans | -87.6 | 123.6 | 173.1 | -171.4 | 0 | 0 | 0 | 0 | 111 | E602 L603 T666 F668 | S599-E602 WeakPolarHBondContact O-CB 3.23Å; S599-E602 PolarHBondContact O-N 3.24Å; S599-L603 PolarHBondContact O-N 2.75Å; S599-T666 PolarHBondContact OG-O 3.21Å; S599-F668 WeakPolarHBondContact OG-CB 3.36Å | ||
| 600 | H | 94.9 | Very high | 87.4 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 178.8 | -177.3 | 89.8 | 0 | 0 | 0 | 112 | W578 I579 I586 E602 L603 V604 D624 | W578-H600 AromaticContact CH2-ND1 3.78Å; I579-H600 PolarHBondContact O-CE1 2.84Å; I579-H600 PolarHBondContact O-NE2 3.22Å; I586-H600 HydrophobicContact CD1-CB 4.24Å; I586-H600 HydrophobicContact CG1-CB 3.68Å; H600-E602 VanDerWaalsContact C-N 3.28Å; H600-E602 PolarHBondContact O-N 3.24Å; H600-L603 PolarHBondContact O-N 3.32Å; H600-V604 WeakPolarHBondContact O-CB 3.47Å; H600-V604 WeakPolarHBondContact O-CG2 3.49Å; H600-V604 PolarHBondContact O-N 2.87Å; H600-D624 IonicContact NE2-OD2 3.18Å |
| 601 | D | 94.9 | Very high | 87.2 | Confident | 35 Ų | 35 | 47.3 Ų | 47.3 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -31.7 | 176.5 | -62.8 | -38.4 | 0 | 0 | 0 | 112.1 | R583 C605 M628 F668 L669 | R583-D601 IonicContact CZ-OD1 2.66Å; R583-D601 IonicContact NH1-OD1 3.12Å; R583-D601 PolarHBondContact NH1-OD1 2.93Å; R583-D601 IonicContact NH2-OD1 3.89Å; R583-D601 PolarHBondContact NH2-OD1 3.19Å; D601-C605 WeakPolarHBondContact O-CB 3.16Å; D601-C605 PolarHBondContact O-N 2.87Å; D601-C605 PolarHBondContact O-SG 2.89Å; D601-M628 HydrophobicContact CB-SD 4Å; D601-F668 HydrophobicContact CB-CB 4.43Å; D601-F668 HydrophobicContact CB-CD1 4.09Å; D601-L669 HydrophobicContact CB-CD1 4.17Å; D601-L669 HydrophobicContact CB-CD2 4.23Å; D601-L669 HydrophobicContact CB-CG 3.91Å |
| 602 | E | 93.4 | Very high | 87.1 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.5 | -43.4 | 174.3 | -171.6 | -174.7 | 136.1 | 0 | 0 | 111.7 | S599 H600 C605 R606 R658 F668 | S599-E602 WeakPolarHBondContact O-CB 3.23Å; S599-E602 PolarHBondContact O-N 3.24Å; H600-E602 VanDerWaalsContact C-N 3.28Å; H600-E602 PolarHBondContact O-N 3.24Å; E602-C605 PolarHBondContact O-N 3.14Å; E602-R606 PolarHBondContact O-N 3.22Å; E602-R606 IonicContact OE1-CZ 2.71Å; E602-R606 VanDerWaalsContact OE1-CZ 3.28Å; E602-R606 IonicContact OE1-NH1 2.73Å; E602-R606 PolarHBondContact OE1-NH1 2.85Å; E602-R606 IonicContact OE1-NH2 3.16Å; E602-R606 PolarHBondContact OE1-NH2 2.96Å; E602-R658 IonicContact OE2-CZ 3.07Å; E602-R658 IonicContact OE2-NH1 3.14Å; E602-R658 PolarHBondContact OE2-NH1 3.17Å; E602-R658 IonicContact OE2-NH2 2.64Å; E602-R658 PolarHBondContact OE2-NH2 3.06Å; E602-F668 VanDerWaalsContact CA-CD1 3.48Å; E602-F668 HydrophobicContact CB-CB 4.23Å; E602-F668 HydrophobicContact CB-CD1 3.9Å; E602-F668 HydrophobicContact CB-CD2 3.7Å; E602-F668 HydrophobicContact CB-CE1 4.19Å; E602-F668 HydrophobicContact CB-CE2 4.02Å; E602-F668 HydrophobicContact CB-CG 3.64Å; E602-F668 HydrophobicContact CB-CZ 4.24Å; E602-F668 HydrophobicContact CG-CD2 3.72Å; E602-F668 HydrophobicContact CG-CE1 4.46Å; E602-F668 HydrophobicContact CG-CE2 3.64Å; E602-F668 HydrophobicContact CG-CG 4.19Å; E602-F668 HydrophobicContact CG-CZ 4.02Å |
| 603 | L | 93.2 | Very high | 88 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60 | -50 | 173.5 | 170.9 | 58.8 | 0 | 0 | 0 | 111.1 | A442 F445 I446 F574 W578 F598 S599 H600 C605 R606 M607 | A442-L603 HydrophobicContact CB-CD2 4.36Å; A442-L603 WeakPolarHBondContact O-CD1 3.39Å; F445-L603 HydrophobicContact CB-CD1 3.91Å; I446-L603 HydrophobicContact CD1-CD2 4.33Å; I446-L603 HydrophobicContact CG1-CD1 3.89Å; I446-L603 HydrophobicContact CG1-CD2 4.43Å; F574-L603 HydrophobicContact CD2-CD2 4.46Å; W578-L603 HydrophobicContact CH2-CD2 3.86Å; W578-L603 HydrophobicContact CZ3-CD2 3.78Å; F598-L603 HydrophobicContact CE2-CB 4.44Å; F598-L603 HydrophobicContact CE2-CD2 3.84Å; F598-L603 HydrophobicContact CZ-CD2 4.43Å; S599-L603 PolarHBondContact O-N 2.75Å; H600-L603 PolarHBondContact O-N 3.32Å; L603-C605 VanDerWaalsContact C-N 3.3Å; L603-C605 PolarHBondContact O-N 3.16Å; L603-R606 PolarHBondContact O-N 3.47Å; L603-M607 HydrophobicContact CD1-CG 3.91Å; L603-M607 HydrophobicContact CD1-SD 3.71Å; L603-M607 HydrophobicContact CG-CG 4.49Å; L603-M607 HydrophobicContact CG-SD 3.84Å; L603-M607 VanDerWaalsContact O-CG 3.3Å; L603-M607 WeakPolarHBondContact O-CG 3.49Å; L603-M607 PolarHBondContact O-N 3.18Å |
| 604 | V | 94.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | 178.3 | 164.1 | 0 | 0 | 0 | 0 | 111.4 | I579 H600 A608 L621 D624 L625 M628 | I579-V604 HydrophobicContact CG2-CG2 4.2Å; H600-V604 WeakPolarHBondContact O-CB 3.47Å; H600-V604 WeakPolarHBondContact O-CG2 3.49Å; H600-V604 PolarHBondContact O-N 2.87Å; V604-A608 WeakPolarHBondContact O-CB 3.15Å; V604-A608 PolarHBondContact O-N 3.16Å; V604-L621 HydrophobicContact CB-CD1 4.32Å; V604-L621 HydrophobicContact CG1-CD1 3.93Å; V604-L621 HydrophobicContact CG2-CD1 4.37Å; V604-D624 WeakPolarHBondContact CG2-OD2 3.25Å; V604-L625 HydrophobicContact CG1-CD2 3.52Å; V604-L625 HydrophobicContact CG1-CG 3.83Å; V604-M628 HydrophobicContact CB-SD 4.48Å; V604-M628 HydrophobicContact CG1-CE 4.41Å; V604-M628 HydrophobicContact CG1-SD 3.9Å |
| 605 | C | 94.4 | Very high | 89 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.6 | -36.6 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | D601 E602 L603 A608 D609 F668 F706 | D601-C605 WeakPolarHBondContact O-CB 3.16Å; D601-C605 PolarHBondContact O-N 2.87Å; D601-C605 PolarHBondContact O-SG 2.89Å; E602-C605 PolarHBondContact O-N 3.14Å; L603-C605 VanDerWaalsContact C-N 3.3Å; L603-C605 PolarHBondContact O-N 3.16Å; C605-A608 PolarHBondContact O-N 2.86Å; C605-D609 PolarHBondContact O-N 3.31Å; C605-F668 HydrophobicContact CB-CE1 3.75Å; C605-F668 HydrophobicContact CB-CZ 4.3Å; C605-F706 HydrophobicContact CB-CE2 4.11Å; C605-F706 HydrophobicContact CB-CZ 4.49Å |
| 606 | R | 91.4 | Very high | 89.4 | Confident | 68 Ų | 68 | 37.5 Ų | 37.5 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.3 | -51.7 | 171.7 | -84.1 | -161.3 | -173.2 | 76.9 | 7.5 | 111 | F445 D447 E602 L603 A608 D609 C610 | F445-R606 WeakPolarHBondContact O-CD 3.43Å; D447-R606 IonicContact OD2-CZ 3.78Å; D447-R606 IonicContact OD2-NE 2.74Å; D447-R606 PolarHBondContact OD2-NE 2.95Å; D447-R606 IonicContact OD2-NH2 3.62Å; E602-R606 PolarHBondContact O-N 3.22Å; E602-R606 IonicContact OE1-CZ 2.71Å; E602-R606 VanDerWaalsContact OE1-CZ 3.28Å; E602-R606 IonicContact OE1-NH1 2.73Å; E602-R606 PolarHBondContact OE1-NH1 2.85Å; E602-R606 IonicContact OE1-NH2 3.16Å; E602-R606 PolarHBondContact OE1-NH2 2.96Å; L603-R606 PolarHBondContact O-N 3.47Å; R606-A608 PolarHBondContact O-N 3.22Å; R606-D609 PolarHBondContact O-N 3.32Å; R606-C610 PolarHBondContact O-N 3.04Å; R606-C610 PolarHBondContact O-SG 3.31Å; R606-C610 VanDerWaalsContact O-SG 3.33Å |
| 607 | M | 93.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.8 | -40.2 | 178.7 | -69.5 | 172.6 | 69.6 | 0 | 0 | 111.5 | A442 F445 I579 L603 D609 C610 L613 M617 L621 | A442-M607 HydrophobicContact CB-CE 3.74Å; A442-M607 HydrophobicContact CB-SD 3.68Å; F445-M607 HydrophobicContact CB-CG 3.75Å; F445-M607 HydrophobicContact CD1-CG 4.3Å; F445-M607 HydrophobicContact CD2-CE 4.33Å; F445-M607 HydrophobicContact CD2-CG 3.71Å; F445-M607 HydrophobicContact CD2-SD 4.32Å; F445-M607 HydrophobicContact CE2-CE 4.45Å; F445-M607 HydrophobicContact CE2-CG 4.41Å; F445-M607 HydrophobicContact CG-CG 3.65Å; I579-M607 HydrophobicContact CD1-CE 3.86Å; L603-M607 HydrophobicContact CD1-CG 3.91Å; L603-M607 HydrophobicContact CD1-SD 3.71Å; L603-M607 HydrophobicContact CG-CG 4.49Å; L603-M607 HydrophobicContact CG-SD 3.84Å; L603-M607 VanDerWaalsContact O-CG 3.3Å; L603-M607 WeakPolarHBondContact O-CG 3.49Å; L603-M607 PolarHBondContact O-N 3.18Å; M607-D609 PolarHBondContact O-N 3.38Å; M607-C610 PolarHBondContact O-N 3.11Å; M607-C610 VanDerWaalsContact O-N 3.17Å; M607-L613 WeakPolarHBondContact O-CD1 3.43Å; M607-M617 HydrophobicContact CE-CG 3.64Å; M607-M617 HydrophobicContact CE-SD 3.54Å; M607-M617 VanDerWaalsContact CE-SD 3.54Å; M607-L621 HydrophobicContact CB-CD1 3.94Å; M607-L621 HydrophobicContact CB-CD2 3.76Å; M607-L621 HydrophobicContact CE-CD1 4.4Å; M607-L621 HydrophobicContact SD-CD1 4.47Å |
| 608 | A | 93.5 | Very high | 90 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -22.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V604 C605 R606 L621 L625 L714 V718 | V604-A608 WeakPolarHBondContact O-CB 3.15Å; V604-A608 PolarHBondContact O-N 3.16Å; C605-A608 PolarHBondContact O-N 2.86Å; R606-A608 PolarHBondContact O-N 3.22Å; A608-L621 HydrophobicContact CB-CD2 4.49Å; A608-L625 HydrophobicContact CB-CD1 3.79Å; A608-L625 HydrophobicContact CB-CD2 4.13Å; A608-L714 HydrophobicContact CB-CB 4.28Å; A608-L714 HydrophobicContact CB-CD2 4.18Å; A608-V718 HydrophobicContact CB-CG2 3.78Å |
| 609 | D | 88.8 | Confident | 90.2 | Very high | 97 Ų | 97 | 39.3 Ų | 39.3 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -94.8 | -13 | 177.3 | -153.8 | 26.4 | 0 | 0 | 0 | 112.8 | C605 R606 M607 L714 K717 | C605-D609 PolarHBondContact O-N 3.31Å; R606-D609 PolarHBondContact O-N 3.32Å; M607-D609 PolarHBondContact O-N 3.38Å; D609-L714 HydrophobicContact CB-CD2 4.26Å; D609-K717 PolarHBondContact O-NZ 2.92Å; D609-K717 IonicContact OD1-NZ 2.72Å; D609-K717 PolarHBondContact OD1-NZ 3.29Å |
| 610 | C | 86.3 | Confident | 90.2 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | trans | -78.4 | 136.4 | 178.1 | -66 | 0 | 0 | 0 | 0 | 113.4 | F445 R606 M607 | F445-C610 HydrophobicContact CD1-CB 4.08Å; F445-C610 VanDerWaalsContact CD1-SG 3.6Å; F445-C610 HydrophobicContact CE1-CB 3.76Å; R606-C610 PolarHBondContact O-N 3.04Å; R606-C610 PolarHBondContact O-SG 3.31Å; R606-C610 VanDerWaalsContact O-SG 3.33Å; M607-C610 PolarHBondContact O-N 3.11Å; M607-C610 VanDerWaalsContact O-N 3.17Å | ||
| 611 | E | 83.5 | Confident | 90.2 | Very high | 174 Ų | 174 | 40.6 Ų | 40.6 | 81% | 0.813 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -82.5 | 162.6 | 169.9 | -63.7 | -175.3 | -177.2 | 0 | 0 | 111.7 | L613 | E611-L613 PolarHBondContact O-N 2.77Š|
| 612 | G | 82 | Confident | 90.2 | Very high | 75 Ų | 75 | 39 Ų | 39 | 77% | 0.773 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 79.7 | 7.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A614 | G612-A614 PolarHBondContact O-N 2.65Š|
| 613 | L | 88 | Confident | 90.1 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | trans | -54.6 | 130.6 | 173.8 | -75.6 | 174.2 | 0 | 0 | 0 | 112.5 | F445 M607 E611 M617 R618 L621 | F445-L613 HydrophobicContact CE1-CD2 4.17Å; F445-L613 HydrophobicContact CE2-CD2 3.98Å; F445-L613 HydrophobicContact CZ-CD2 3.51Å; M607-L613 WeakPolarHBondContact O-CD1 3.43Å; E611-L613 PolarHBondContact O-N 2.77Å; L613-M617 HydrophobicContact CD2-CB 4.43Å; L613-M617 HydrophobicContact CD2-CG 3.86Å; L613-R618 HydrophobicContact CB-CB 4.34Å; L613-R618 PolarHBondContact O-NE 3.35Å; L613-R618 PolarHBondContact O-NH2 2.87Å; L613-L621 HydrophobicContact CD1-CD2 3.52Å | ||
| 614 | A | 85.2 | Confident | 90.2 | Very high | 33 Ų | 33 | 39 Ų | 39 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | trans | -56.5 | 146 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E440 G612 E616 M617 R618 | E440-A614 HydrophobicContact CG-CB 4.45Å; G612-A614 PolarHBondContact O-N 2.65Å; A614-E616 VanDerWaalsContact C-N 3.28Å; A614-E616 PolarHBondContact O-N 3.36Å; A614-M617 HydrophobicContact CB-CB 4.47Å; A614-M617 WeakPolarHBondContact O-CB 3.47Å; A614-M617 PolarHBondContact O-N 3.49Å; A614-M617 VanDerWaalsContact O-N 3.09Å; A614-R618 WeakPolarHBondContact O-CB 3.4Å; A614-R618 PolarHBondContact O-N 3.08Å | ||
| 615 | L | 86.5 | Confident | 90.2 | Very high | 59 Ų | 59 | 39 Ų | 39 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.5 | -43.6 | -172.2 | 179.1 | 63 | 0 | 0 | 0 | 112.3 | R618 R619 | L615-R618 WeakPolarHBondContact O-CB 3.08Å; L615-R618 PolarHBondContact O-N 3.23Å; L615-R619 HydrophobicContact CD1-CG 4.48Å; L615-R619 WeakPolarHBondContact O-CG 3.44Å; L615-R619 PolarHBondContact O-N 3.38Å |
| 616 | E | 86.4 | Confident | 90.2 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59 | -48.9 | 177.5 | -68.9 | 62.5 | -153.2 | 0 | 0 | 111.9 | R32 A576 A614 R618 R619 E620 | R32-E616 VanDerWaalsContact NH1-CG 3.28Å; R32-E616 VanDerWaalsContact NH2-CG 3.32Å; A576-E616 HydrophobicContact CB-CB 4.18Å; A614-E616 VanDerWaalsContact C-N 3.28Å; A614-E616 PolarHBondContact O-N 3.36Å; E616-R618 VanDerWaalsContact C-N 3.3Å; E616-R618 PolarHBondContact O-N 2.99Å; E616-R619 PolarHBondContact O-N 3.16Å; E616-E620 PolarHBondContact O-N 3.03Å |
| 617 | M | 89.9 | Confident | 90.3 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 178.2 | -166.9 | 68.8 | 76.5 | 0 | 0 | 110.2 | E440 A442 A576 I579 M607 L613 A614 L621 | E440-M617 WeakPolarHBondContact O-CE 3.44Å; A442-M617 HydrophobicContact CB-SD 4.39Å; A576-M617 HydrophobicContact CB-CB 4.46Å; A576-M617 HydrophobicContact CB-CE 4.48Å; A576-M617 HydrophobicContact CB-SD 4.09Å; I579-M617 HydrophobicContact CD1-SD 3.77Å; I579-M617 HydrophobicContact CG1-SD 4.36Å; M607-M617 HydrophobicContact CE-CG 3.64Å; M607-M617 HydrophobicContact CE-SD 3.54Å; M607-M617 VanDerWaalsContact CE-SD 3.54Å; L613-M617 HydrophobicContact CD2-CB 4.43Å; L613-M617 HydrophobicContact CD2-CG 3.86Å; A614-M617 HydrophobicContact CB-CB 4.47Å; A614-M617 WeakPolarHBondContact O-CB 3.47Å; A614-M617 PolarHBondContact O-N 3.49Å; A614-M617 VanDerWaalsContact O-N 3.09Å; M617-L621 WeakPolarHBondContact O-CB 3.48Å; M617-L621 PolarHBondContact O-N 3.49Å |
| 618 | R | 91.3 | Very high | 90.4 | Very high | 58 Ų | 58 | 39.4 Ų | 39.4 | 22% | 0.219 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 179.6 | -155.3 | -172.1 | -53.9 | 169.3 | 8.5 | 112.7 | L613 A614 L615 E616 F622 V718 D720 | L613-R618 HydrophobicContact CB-CB 4.34Å; L613-R618 PolarHBondContact O-NE 3.35Å; L613-R618 PolarHBondContact O-NH2 2.87Å; A614-R618 WeakPolarHBondContact O-CB 3.4Å; A614-R618 PolarHBondContact O-N 3.08Å; L615-R618 WeakPolarHBondContact O-CB 3.08Å; L615-R618 PolarHBondContact O-N 3.23Å; E616-R618 VanDerWaalsContact C-N 3.3Å; E616-R618 PolarHBondContact O-N 2.99Å; R618-F622 WeakPolarHBondContact O-CB 3.39Å; R618-F622 PolarHBondContact O-N 3.28Å; R618-V718 WeakPolarHBondContact CD-O 3.46Å; R618-V718 HydrophobicContact CG-CG1 3.67Å; R618-V718 WeakPolarHBondContact CG-O 3.33Å; R618-V718 WeakPolarHBondContact O-CG1 3.3Å; R618-D720 IonicContact CZ-OD2 3.28Å; R618-D720 IonicContact NH1-OD2 2.69Å; R618-D720 PolarHBondContact NH1-OD2 2.73Å |
| 619 | R | 91.2 | Very high | 90.6 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -52.9 | 175 | -74.3 | -178.9 | 175.8 | 169.7 | -2.9 | 111.9 | L615 E616 L621 F622 C623 D723 F725 | L615-R619 HydrophobicContact CD1-CG 4.48Å; L615-R619 WeakPolarHBondContact O-CG 3.44Å; L615-R619 PolarHBondContact O-N 3.38Å; E616-R619 PolarHBondContact O-N 3.16Å; R619-L621 PolarHBondContact O-N 2.74Å; R619-F622 PolarHBondContact O-N 2.93Å; R619-C623 PolarHBondContact O-N 3.15Å; R619-C623 VanDerWaalsContact O-N 3.1Å; R619-C623 PolarHBondContact O-SG 3.3Å; R619-D723 IonicContact CZ-OD2 2.98Å; R619-D723 IonicContact NE-OD2 3.87Å; R619-D723 PolarHBondContact NE-OD2 3.37Å; R619-D723 IonicContact NH2-OD1 2.72Å; R619-D723 PolarHBondContact NH2-OD1 3.21Å; R619-D723 IonicContact NH2-OD2 2.67Å; R619-D723 PolarHBondContact NH2-OD2 2.93Å; R619-F725 HydrophobicContact CB-CD1 4.09Å; R619-F725 HydrophobicContact CB-CE1 3.69Å; R619-F725 HydrophobicContact CB-CZ 3.98Å; R619-F725 HydrophobicContact CG-CD1 3.62Å; R619-F725 HydrophobicContact CG-CD2 4.42Å; R619-F725 HydrophobicContact CG-CE1 3.77Å; R619-F725 HydrophobicContact CG-CG 3.96Å; R619-F725 HydrophobicContact CG-CZ 4.24Å |
| 620 | E | 91.6 | Very high | 90.8 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 179.2 | -74.4 | -60.5 | 116.5 | 0 | 0 | 112.1 | A576 I579 S580 E616 F622 C623 D624 | A576-E620 HydrophobicContact CB-CB 4.46Å; A576-E620 HydrophobicContact CB-CG 4.27Å; A576-E620 WeakPolarHBondContact O-CB 3.37Å; I579-E620 HydrophobicContact CD1-CB 4.1Å; S580-E620 PolarHBondContact OG-OE2 3.16Å; E616-E620 PolarHBondContact O-N 3.03Å; E620-F622 VanDerWaalsContact C-N 3.31Å; E620-F622 PolarHBondContact O-N 2.87Å; E620-C623 WeakPolarHBondContact O-CB 3.14Å; E620-C623 PolarHBondContact O-N 2.74Å; E620-D624 PolarHBondContact O-N 2.64Å |
| 621 | L | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.2 | -39.2 | 174.3 | -177.8 | 66.2 | 0 | 0 | 0 | 112.3 | I579 V604 M607 A608 L613 M617 R619 D624 L625 V718 | I579-L621 HydrophobicContact CD1-CB 4.03Å; I579-L621 HydrophobicContact CD1-CD1 4.49Å; V604-L621 HydrophobicContact CB-CD1 4.32Å; V604-L621 HydrophobicContact CG1-CD1 3.93Å; V604-L621 HydrophobicContact CG2-CD1 4.37Å; M607-L621 HydrophobicContact CB-CD1 3.94Å; M607-L621 HydrophobicContact CB-CD2 3.76Å; M607-L621 HydrophobicContact CE-CD1 4.4Å; M607-L621 HydrophobicContact SD-CD1 4.47Å; A608-L621 HydrophobicContact CB-CD2 4.49Å; L613-L621 HydrophobicContact CD1-CD2 3.52Å; M617-L621 WeakPolarHBondContact O-CB 3.48Å; M617-L621 PolarHBondContact O-N 3.49Å; R619-L621 PolarHBondContact O-N 2.74Å; L621-D624 PolarHBondContact O-N 3.42Å; L621-L625 HydrophobicContact CD1-CD1 4.42Å; L621-L625 HydrophobicContact CD1-CG 4.39Å; L621-L625 HydrophobicContact CG-CD1 3.95Å; L621-L625 HydrophobicContact CG-CG 4.37Å; L621-L625 VanDerWaalsContact O-CB 3.29Å; L621-L625 WeakPolarHBondContact O-CB 3.25Å; L621-L625 VanDerWaalsContact O-CG 3.23Å; L621-L625 WeakPolarHBondContact O-CG 3.39Å; L621-L625 PolarHBondContact O-N 2.94Å; L621-V718 HydrophobicContact CB-CG1 4.31Å; L621-V718 HydrophobicContact CD2-CG1 3.98Å; L621-V718 HydrophobicContact CD2-CG2 3.96Å; L621-V718 HydrophobicContact CG-CG1 4.17Å |
| 622 | F | 94.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 175.6 | -175.3 | -86 | 0 | 0 | 0 | 112.6 | R618 R619 E620 D624 N626 R715 V718 R719 Y726 F729 L730 | R618-F622 WeakPolarHBondContact O-CB 3.39Å; R618-F622 PolarHBondContact O-N 3.28Å; R619-F622 PolarHBondContact O-N 2.93Å; E620-F622 VanDerWaalsContact C-N 3.31Å; E620-F622 PolarHBondContact O-N 2.87Å; F622-D624 VanDerWaalsContact C-N 3.26Å; F622-D624 PolarHBondContact O-N 3.49Å; F622-N626 WeakPolarHBondContact O-CB 3.42Å; F622-N626 PolarHBondContact O-N 3.02Å; F622-R715 HydrophobicContact CD2-CG 3.71Å; F622-R715 WeakPolarHBondContact CD2-O 3.35Å; F622-R715 HydrophobicContact CE2-CG 3.52Å; F622-R715 WeakPolarHBondContact CE2-O 3.45Å; F622-R715 HydrophobicContact CG-CG 4.44Å; F622-R715 HydrophobicContact CZ-CG 4.08Å; F622-V718 HydrophobicContact CB-CG1 4.09Å; F622-R719 HydrophobicContact CE2-CB 4.22Å; F622-Y726 HydrophobicContact CB-CD1 4Å; F622-Y726 HydrophobicContact CB-CE1 3.68Å; F622-Y726 AromaticContact CD1-CD1 3.7Å; F622-Y726 HydrophobicContact CD1-CD1 3.7Å; F622-Y726 HydrophobicContact CD1-CE1 4.27Å; F622-Y726 AromaticContact CD2-CD1 3.5Å; F622-Y726 HydrophobicContact CD2-CD1 3.5Å; F622-Y726 VanDerWaalsContact CD2-CD1 3.5Å; F622-Y726 AromaticContact CD2-CE1 3.83Å; F622-Y726 HydrophobicContact CD2-CE1 3.83Å; F622-Y726 AromaticContact CE1-CD1 3.94Å; F622-Y726 HydrophobicContact CE1-CD1 3.94Å; F622-Y726 AromaticContact CE2-CD1 3.74Å; F622-Y726 HydrophobicContact CE2-CD1 3.74Å; F622-Y726 HydrophobicContact CE2-CE1 4.49Å; F622-Y726 AromaticContact CG-CD1 3.46Å; F622-Y726 HydrophobicContact CG-CD1 3.46Å; F622-Y726 VanDerWaalsContact CG-CD1 3.46Å; F622-Y726 AromaticContact CG-CE1 3.69Å; F622-Y726 HydrophobicContact CG-CE1 3.69Å; F622-Y726 AromaticContact CZ-CD1 3.96Å; F622-Y726 HydrophobicContact CZ-CD1 3.96Å; F622-F729 HydrophobicContact CD1-CD1 4.09Å; F622-F729 HydrophobicContact CD1-CE1 4.41Å; F622-F729 AromaticContact CE1-CD1 3.79Å; F622-F729 HydrophobicContact CE1-CD1 3.79Å; F622-F729 HydrophobicContact CE1-CE1 4.31Å; F622-F729 HydrophobicContact CE1-CG 4.49Å; F622-L730 HydrophobicContact CE1-CD2 4.16Å; F622-L730 HydrophobicContact CE1-CG 4.14Å; F622-L730 HydrophobicContact CZ-CD1 4.12Å; F622-L730 HydrophobicContact CZ-CD2 4.17Å; F622-L730 HydrophobicContact CZ-CG 4.08Å |
| 623 | C | 93 | Very high | 92.2 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 5% | 0.054 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.1 | -44.5 | 173.3 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | R619 E620 T627 F729 | R619-C623 PolarHBondContact O-N 3.15Å; R619-C623 VanDerWaalsContact O-N 3.1Å; R619-C623 PolarHBondContact O-SG 3.3Å; E620-C623 WeakPolarHBondContact O-CB 3.14Å; E620-C623 PolarHBondContact O-N 2.74Å; C623-T627 PolarHBondContact O-N 3.24Å; C623-T627 PolarHBondContact O-OG1 2.76Å; C623-F729 HydrophobicContact CB-CE2 3.78Å; C623-F729 HydrophobicContact CB-CZ 4.03Å; C623-F729 WeakPolarHBondContact SG-CE2 3.38Å |
| 624 | D | 94.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73 | -48.6 | -178.3 | -166.9 | 77.2 | 0 | 0 | 0 | 112.6 | I579 R583 H600 V604 E620 L621 F622 N626 T627 M628 | I579-D624 HydrophobicContact CG2-CB 3.56Å; R583-D624 VanDerWaalsContact CD-OD1 3.25Å; R583-D624 WeakPolarHBondContact CD-OD1 3.48Å; R583-D624 IonicContact CZ-OD1 3.3Å; R583-D624 IonicContact CZ-OD2 2.75Å; R583-D624 IonicContact NE-OD1 3.94Å; R583-D624 PolarHBondContact NE-OD1 2.87Å; R583-D624 IonicContact NE-OD2 3.56Å; R583-D624 PolarHBondContact NE-OD2 3.33Å; R583-D624 IonicContact NH2-OD1 2.63Å; R583-D624 IonicContact NH2-OD2 3.89Å; R583-D624 PolarHBondContact NH2-OD2 2.88Å; H600-D624 IonicContact NE2-OD2 3.18Å; V604-D624 WeakPolarHBondContact CG2-OD2 3.25Å; E620-D624 PolarHBondContact O-N 2.64Å; L621-D624 PolarHBondContact O-N 3.42Å; F622-D624 VanDerWaalsContact C-N 3.26Å; F622-D624 PolarHBondContact O-N 3.49Å; D624-N626 VanDerWaalsContact C-N 3.28Å; D624-N626 PolarHBondContact O-N 2.73Å; D624-T627 CarbonylContact O-C 3.5Å; D624-T627 WeakPolarHBondContact O-CA 3.3Å; D624-T627 WeakPolarHBondContact O-CB 3.49Å; D624-T627 PolarHBondContact O-N 3.13Å; D624-M628 WeakPolarHBondContact O-CB 3.48Å; D624-M628 PolarHBondContact O-N 3.24Å |
| 625 | L | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.8 | -46.5 | 172.5 | -79 | 167 | 0 | 0 | 0 | 111.3 | V604 A608 L621 T627 M628 I629 R715 V718 | V604-L625 HydrophobicContact CG1-CD2 3.52Å; V604-L625 HydrophobicContact CG1-CG 3.83Å; A608-L625 HydrophobicContact CB-CD1 3.79Å; A608-L625 HydrophobicContact CB-CD2 4.13Å; L621-L625 HydrophobicContact CD1-CD1 4.42Å; L621-L625 HydrophobicContact CD1-CG 4.39Å; L621-L625 HydrophobicContact CG-CD1 3.95Å; L621-L625 HydrophobicContact CG-CG 4.37Å; L621-L625 VanDerWaalsContact O-CB 3.29Å; L621-L625 WeakPolarHBondContact O-CB 3.25Å; L621-L625 VanDerWaalsContact O-CG 3.23Å; L621-L625 WeakPolarHBondContact O-CG 3.39Å; L621-L625 PolarHBondContact O-N 2.94Å; L625-T627 VanDerWaalsContact C-N 3.29Å; L625-T627 PolarHBondContact O-N 2.7Å; L625-M628 HydrophobicContact CD2-CE 3.78Å; L625-M628 PolarHBondContact O-N 2.87Å; L625-I629 HydrophobicContact CB-CD1 4.47Å; L625-I629 VanDerWaalsContact O-CB 3.3Å; L625-I629 WeakPolarHBondContact O-CB 3.38Å; L625-I629 WeakPolarHBondContact O-CD1 3.22Å; L625-I629 WeakPolarHBondContact O-CG1 3.18Å; L625-I629 PolarHBondContact O-N 3.23Å; L625-R715 HydrophobicContact CB-CB 4.42Å; L625-R715 HydrophobicContact CB-CG 4.34Å; L625-V718 HydrophobicContact CD1-CB 4.14Å; L625-V718 HydrophobicContact CD1-CG1 4.32Å; L625-V718 HydrophobicContact CD1-CG2 3.77Å |
| 626 | N | 94.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | 177.2 | -176.1 | 65 | 0 | 0 | 0 | 112.1 | F622 D624 N630 R715 F729 D733 | F622-N626 WeakPolarHBondContact O-CB 3.42Å; F622-N626 PolarHBondContact O-N 3.02Å; D624-N626 VanDerWaalsContact C-N 3.28Å; D624-N626 PolarHBondContact O-N 2.73Å; N626-N630 PolarHBondContact ND2-ND2 3.39Å; N626-N630 WeakPolarHBondContact O-CB 3.13Å; N626-N630 VanDerWaalsContact O-CG 3.29Å; N626-N630 PolarHBondContact O-N 3.14Å; N626-N630 VanDerWaalsContact O-N 3.15Å; N626-N630 PolarHBondContact O-ND2 3.48Å; N626-N630 PolarHBondContact OD1-ND2 3.43Å; N626-N630 VanDerWaalsContact OD1-ND2 3.16Å; N626-R715 PolarHBondContact OD1-NH1 2.71Å; N626-F729 HydrophobicContact CB-CE1 3.99Å; N626-D733 PolarHBondContact ND2-OD2 3.27Å |
| 627 | T | 93.2 | Very high | 92.7 | Very high | 77 Ų | 77 | 35.4 Ų | 35.4 | 47% | 0.472 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.7 | -48.7 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | C623 D624 L625 N630 L631 | C623-T627 PolarHBondContact O-N 3.24Å; C623-T627 PolarHBondContact O-OG1 2.76Å; D624-T627 CarbonylContact O-C 3.5Å; D624-T627 WeakPolarHBondContact O-CA 3.3Å; D624-T627 WeakPolarHBondContact O-CB 3.49Å; D624-T627 PolarHBondContact O-N 3.13Å; L625-T627 VanDerWaalsContact C-N 3.29Å; L625-T627 PolarHBondContact O-N 2.7Å; T627-N630 PolarHBondContact O-N 3.29Å; T627-L631 PolarHBondContact O-N 2.92Å |
| 628 | M | 95.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.2 | -50.3 | 177 | -172 | -172.3 | 78 | 0 | 0 | 112.1 | D601 V604 D624 L625 N630 L631 E632 L669 L711 | D601-M628 HydrophobicContact CB-SD 4Å; V604-M628 HydrophobicContact CB-SD 4.48Å; V604-M628 HydrophobicContact CG1-CE 4.41Å; V604-M628 HydrophobicContact CG1-SD 3.9Å; D624-M628 WeakPolarHBondContact O-CB 3.48Å; D624-M628 PolarHBondContact O-N 3.24Å; L625-M628 HydrophobicContact CD2-CE 3.78Å; L625-M628 PolarHBondContact O-N 2.87Å; M628-N630 PolarHBondContact O-N 2.98Å; M628-L631 PolarHBondContact O-N 2.92Å; M628-E632 WeakPolarHBondContact O-CB 3.41Å; M628-E632 PolarHBondContact O-N 3.01Å; M628-L669 HydrophobicContact CE-CD1 4.33Å; M628-L669 HydrophobicContact CE-CD2 3.98Å; M628-L669 HydrophobicContact CG-CD1 3.55Å; M628-L669 HydrophobicContact SD-CD1 3.88Å; M628-L669 HydrophobicContact SD-CD2 4.08Å; M628-L669 HydrophobicContact SD-CG 4.48Å; M628-L711 HydrophobicContact CE-CD2 4.19Å |
| 629 | I | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | -177.1 | -66.9 | 170.4 | 0 | 0 | 0 | 111.5 | L625 R633 M708 L711 R715 | L625-I629 HydrophobicContact CB-CD1 4.47Å; L625-I629 VanDerWaalsContact O-CB 3.3Å; L625-I629 WeakPolarHBondContact O-CB 3.38Å; L625-I629 WeakPolarHBondContact O-CD1 3.22Å; L625-I629 WeakPolarHBondContact O-CG1 3.18Å; L625-I629 PolarHBondContact O-N 3.23Å; I629-R633 VanDerWaalsContact O-CB 3.29Å; I629-R633 WeakPolarHBondContact O-CB 3.38Å; I629-R633 PolarHBondContact O-N 3.02Å; I629-M708 HydrophobicContact CG2-CE 4Å; I629-L711 HydrophobicContact CD1-CB 4.04Å; I629-L711 WeakPolarHBondContact CD1-O 3.39Å; I629-L711 HydrophobicContact CG1-CB 3.95Å; I629-R715 HydrophobicContact CD1-CB 3.81Å |
| 630 | N | 93.3 | Very high | 89.7 | Confident | 53 Ų | 53 | 41.6 Ų | 41.6 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 176.6 | -76.1 | -52.7 | 0 | 0 | 0 | 111.9 | N626 T627 M628 K634 K737 | N626-N630 PolarHBondContact ND2-ND2 3.39Å; N626-N630 WeakPolarHBondContact O-CB 3.13Å; N626-N630 VanDerWaalsContact O-CG 3.29Å; N626-N630 PolarHBondContact O-N 3.14Å; N626-N630 VanDerWaalsContact O-N 3.15Å; N626-N630 PolarHBondContact O-ND2 3.48Å; N626-N630 PolarHBondContact OD1-ND2 3.43Å; N626-N630 VanDerWaalsContact OD1-ND2 3.16Å; T627-N630 PolarHBondContact O-N 3.29Å; M628-N630 PolarHBondContact O-N 2.98Å; N630-K634 WeakPolarHBondContact O-CB 3.45Å; N630-K634 PolarHBondContact O-N 3.16Å; N630-K634 VanDerWaalsContact O-N 3.16Å; N630-K737 PolarHBondContact ND2-NZ 2.7Å |
| 631 | L | 93.1 | Very high | 88.4 | Confident | 67 Ų | 67 | 46.3 Ų | 46.3 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66 | -49.7 | 172.8 | 178.7 | 59.7 | 0 | 0 | 0 | 111.3 | T627 M628 R633 K634 L635 | T627-L631 PolarHBondContact O-N 2.92Å; M628-L631 PolarHBondContact O-N 2.92Å; L631-R633 VanDerWaalsContact C-N 3.35Å; L631-R633 PolarHBondContact O-N 3.37Å; L631-K634 WeakPolarHBondContact O-CB 3.03Å; L631-K634 PolarHBondContact O-N 3.39Å; L631-K634 VanDerWaalsContact O-N 3.1Å; L631-L635 HydrophobicContact CD1-CD1 3.99Å; L631-L635 HydrophobicContact CD1-CG 4.04Å; L631-L635 HydrophobicContact CG-CD1 3.89Å; L631-L635 HydrophobicContact CG-CG 4.35Å; L631-L635 WeakPolarHBondContact O-CG 3.29Å; L631-L635 PolarHBondContact O-N 3.26Å |
| 632 | E | 94.8 | Very high | 87.1 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 179.8 | -177.6 | 68.7 | 166.9 | 0 | 0 | 111.7 | M628 K634 L635 R636 L669 S670 M708 L711 | M628-E632 WeakPolarHBondContact O-CB 3.41Å; M628-E632 PolarHBondContact O-N 3.01Å; E632-K634 VanDerWaalsContact C-N 3.31Å; E632-K634 PolarHBondContact O-N 3.05Å; E632-L635 PolarHBondContact O-N 3.15Å; E632-R636 HydrophobicContact CG-CG 4.44Å; E632-R636 WeakPolarHBondContact O-CB 3.49Å; E632-R636 WeakPolarHBondContact O-CG 3.49Å; E632-R636 PolarHBondContact O-N 3Å; E632-R636 IonicContact OE1-CZ 2.76Å; E632-R636 IonicContact OE1-NE 3.66Å; E632-R636 PolarHBondContact OE1-NE 3.19Å; E632-R636 IonicContact OE1-NH2 3.59Å; E632-R636 PolarHBondContact OE1-NH2 2.92Å; E632-L669 HydrophobicContact CB-CD1 4.24Å; E632-L669 HydrophobicContact CG-CB 4.4Å; E632-L669 HydrophobicContact CG-CD1 4.3Å; E632-L669 WeakPolarHBondContact OE1-CB 3.32Å; E632-S670 VanDerWaalsContact OE1-CB 3.26Å; E632-S670 WeakPolarHBondContact OE1-CB 3.48Å; E632-S670 PolarHBondContact OE1-OG 2.89Å; E632-S670 PolarHBondContact OE2-OG 3.41Å; E632-M708 HydrophobicContact CG-SD 4.29Å; E632-L711 HydrophobicContact CG-CD1 4.15Å |
| 633 | R | 93.8 | Very high | 85.3 | Confident | 98 Ų | 98 | 51 Ų | 51 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 174.9 | -159.1 | -178.5 | -51.7 | -98 | -2.1 | 112.1 | I629 L631 S637 M708 D712 | I629-R633 VanDerWaalsContact O-CB 3.29Å; I629-R633 WeakPolarHBondContact O-CB 3.38Å; I629-R633 PolarHBondContact O-N 3.02Å; L631-R633 VanDerWaalsContact C-N 3.35Å; L631-R633 PolarHBondContact O-N 3.37Å; R633-S637 PolarHBondContact O-N 2.99Å; R633-M708 HydrophobicContact CB-CE 3.71Å; R633-M708 HydrophobicContact CG-CE 4.05Å; R633-D712 IonicContact CZ-OD2 2.94Å; R633-D712 IonicContact NH1-OD2 2.76Å; R633-D712 PolarHBondContact NH1-OD2 3.3Å; R633-D712 IonicContact NH2-OD1 3.81Å; R633-D712 PolarHBondContact NH2-OD1 3.04Å; R633-D712 IonicContact NH2-OD2 3.78Å; R633-D712 PolarHBondContact NH2-OD2 3.23Å |
| 634 | K | 91.2 | Very high | 84 | Confident | 145 Ų | 145 | 53.9 Ų | 53.9 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.2 | -47.4 | 174.6 | -178.6 | -177.4 | 176.3 | -174.7 | 0 | 110.6 | N630 L631 E632 S637 | N630-K634 WeakPolarHBondContact O-CB 3.45Å; N630-K634 PolarHBondContact O-N 3.16Å; N630-K634 VanDerWaalsContact O-N 3.16Å; L631-K634 WeakPolarHBondContact O-CB 3.03Å; L631-K634 PolarHBondContact O-N 3.39Å; L631-K634 VanDerWaalsContact O-N 3.1Å; E632-K634 VanDerWaalsContact C-N 3.31Å; E632-K634 PolarHBondContact O-N 3.05Å; K634-S637 WeakPolarHBondContact O-CB 3.46Å; K634-S637 PolarHBondContact O-N 2.93Å; K634-S637 PolarHBondContact O-OG 3.22Å |
| 635 | L | 90.1 | Very high | 83.1 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -47.3 | -177.6 | -68.5 | 174.5 | 0 | 0 | 0 | 112.3 | L631 E632 S637 I638 L685 E686 | L631-L635 HydrophobicContact CD1-CD1 3.99Å; L631-L635 HydrophobicContact CD1-CG 4.04Å; L631-L635 HydrophobicContact CG-CD1 3.89Å; L631-L635 HydrophobicContact CG-CG 4.35Å; L631-L635 WeakPolarHBondContact O-CG 3.29Å; L631-L635 PolarHBondContact O-N 3.26Å; E632-L635 PolarHBondContact O-N 3.15Å; L635-S637 PolarHBondContact O-N 3.32Å; L635-I638 WeakPolarHBondContact O-CB 3.31Å; L635-I638 PolarHBondContact O-N 3.04Å; L635-L685 HydrophobicContact CB-CB 3.85Å; L635-L685 HydrophobicContact CB-CD1 3.77Å; L635-L685 HydrophobicContact CB-CG 4.41Å; L635-L685 HydrophobicContact CD1-CB 4.33Å; L635-L685 HydrophobicContact CG-CB 4.46Å; L635-E686 HydrophobicContact CD1-CG 4Å; L635-E686 HydrophobicContact CD2-CG 3.66Å |
| 636 | R | 89.5 | Confident | 82.5 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 13% | 0.125 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -21.5 | 175.4 | -67.5 | -172.1 | -171.1 | -173.9 | 11.6 | 113.8 | E632 I638 T639 L669 L685 F702 F706 | E632-R636 HydrophobicContact CG-CG 4.44Å; E632-R636 WeakPolarHBondContact O-CB 3.49Å; E632-R636 WeakPolarHBondContact O-CG 3.49Å; E632-R636 PolarHBondContact O-N 3Å; E632-R636 IonicContact OE1-CZ 2.76Å; E632-R636 IonicContact OE1-NE 3.66Å; E632-R636 PolarHBondContact OE1-NE 3.19Å; E632-R636 IonicContact OE1-NH2 3.59Å; E632-R636 PolarHBondContact OE1-NH2 2.92Å; R636-I638 PolarHBondContact O-N 3.25Å; R636-T639 PolarHBondContact O-N 3.31Å; R636-T639 PolarHBondContact O-OG1 3.1Å; R636-L669 PolarHBondContact NH2-O 3.27Å; R636-L685 HydrophobicContact CG-CD1 3.76Å; R636-F702 HydrophobicContact CG-CE2 4.32Å; R636-F702 HydrophobicContact CG-CZ 3.91Å; R636-F706 PolarHBondContact NH1-O 2.87Å; R636-F706 PolarHBondContact NH2-O 2.69Å |
| 637 | S | 85.4 | Confident | 82.1 | Confident | 64 Ų | 64 | 68 Ų | 68 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.8 | 174.4 | 78.9 | 0 | 0 | 0 | 0 | 113.2 | R633 K634 L635 | R633-S637 PolarHBondContact O-N 2.99Å; K634-S637 WeakPolarHBondContact O-CB 3.46Å; K634-S637 PolarHBondContact O-N 2.93Å; K634-S637 PolarHBondContact O-OG 3.22Å; L635-S637 PolarHBondContact O-N 3.32Å |
| 638 | I | 72.9 | Confident | 81.7 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -21.8 | 178.4 | -54.6 | 170 | 0 | 0 | 0 | 111.6 | L635 R636 K689 | L635-I638 WeakPolarHBondContact O-CB 3.31Å; L635-I638 PolarHBondContact O-N 3.04Å; R636-I638 PolarHBondContact O-N 3.25Å; I638-K689 HydrophobicContact CG2-CD 4.4Å; I638-K689 VanDerWaalsContact CG2-CE 3.44Å |
| 639 | T | 70.2 | Confident | 81.3 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 5% | 0.049 | 35% | 0.347 | C | S | . | . | trans | -99.3 | 14.7 | -176.5 | 59 | 0 | 0 | 0 | 0 | 113.9 | R636 D641 H642 L685 | R636-T639 PolarHBondContact O-N 3.31Å; R636-T639 PolarHBondContact O-OG1 3.1Å; T639-D641 PolarHBondContact O-N 2.94Å; T639-D641 VanDerWaalsContact O-N 3.16Å; T639-H642 PolarHBondContact O-N 2.9Å; T639-L685 HydrophobicContact CG2-CD2 4.28Å | ||
| 640 | K | 67.7 | Low | 80.7 | Confident | 162 Ų | 162 | 69.8 Ų | 69.8 | 70% | 0.704 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.3 | -179.5 | -72.9 | -177.3 | 173.2 | -173.3 | 0 | 114.3 | H642 | K640-H642 VanDerWaalsContact C-N 3.34Š|
| 641 | D | 63.4 | Low | 80.3 | Confident | 134 Ų | 134 | 69.6 Ų | 69.6 | 72% | 0.717 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 10.2 | -174.7 | -46.4 | -48.3 | 0 | 0 | 0 | 112.9 | T639 | T639-D641 PolarHBondContact O-N 2.94Å; T639-D641 VanDerWaalsContact O-N 3.16Å |
| 642 | H | 66.4 | Low | 79.9 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | trans | -77.5 | 137 | 173.5 | -89.7 | -88.9 | 0 | 0 | 0 | 111.9 | T639 K640 C700 F702 | T639-H642 PolarHBondContact O-N 2.9Å; K640-H642 VanDerWaalsContact C-N 3.34Å; H642-C700 VanDerWaalsContact CE1-CB 3.42Å; H642-C700 WeakPolarHBondContact CE1-CB 3.4Å; H642-C700 WeakPolarHBondContact ND1-CB 3.1Å; H642-C700 PolarHBondContact ND1-O 2.83Å; H642-F702 HydrophobicContact CB-CB 4.3Å | ||
| 643 | P | 57.9 | Low | 79.3 | Confident | 82 Ų | 82 | 74.1 Ų | 74.1 | 53% | 0.532 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -75.4 | -27.2 | -170.9 | 29.2 | -35.3 | 0 | 0 | 0 | 114.2 | ||
| 644 | V | 64.4 | Low | 78.6 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 42% | 0.418 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.4 | -175.2 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | T701 F702 | V644-T701 HydrophobicContact CB-CG2 4.45Å; V644-T701 HydrophobicContact CG1-CG2 4.04Å; V644-F702 PolarHBondContact O-N 3.2Å |
| 645 | N | 77.2 | Confident | 78 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 110.6 | 178.7 | -65.5 | -71.7 | 0 | 0 | 0 | 109.7 | F702 | N645-F702 CarbonylContact C-O 3.58Å; N645-F702 WeakPolarHBondContact CA-O 3.45Å; N645-F702 HydrophobicContact CB-CD1 4.38Å; N645-F702 WeakPolarHBondContact OD1-CD1 3.38Å |
| 646 | E | 82.2 | Confident | 77.3 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.4 | -176.8 | -173.5 | -162 | 129.4 | 0 | 0 | 110.9 | T701 F702 K703 Y704 | E646-T701 HydrophobicContact CB-CG2 3.9Å; E646-F702 PolarHBondContact N-O 3.29Å; E646-K703 HydrophobicContact CB-CG 4.27Å; E646-K703 VanDerWaalsContact O-CA 3.31Å; E646-K703 WeakPolarHBondContact O-CA 3.46Å; E646-K703 IonicContact OE1-NZ 3.22Å; E646-K703 WeakPolarHBondContact OE2-CE 3.32Å; E646-K703 IonicContact OE2-NZ 3.27Å; E646-Y704 WeakPolarHBondContact O-CD1 3.48Å; E646-Y704 WeakPolarHBondContact O-CE1 3.41Å; E646-Y704 PolarHBondContact O-N 3.42Å |
| 647 | R | 85.9 | Confident | 77 | Confident | 134 Ų | 134 | 74 Ų | 74 | 51% | 0.506 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.4 | 170.8 | -170.5 | 178.9 | 176.5 | -148.7 | -5.5 | 109.8 | Y704 R705 | R647-Y704 CarbonylContact C-O 3.54Å; R647-Y704 WeakPolarHBondContact CA-O 3.4Å; R647-Y704 HydrophobicContact CB-CE1 4.3Å; R647-Y704 HydrophobicContact CB-CE2 3.9Å; R647-Y704 HydrophobicContact CG-CD2 4.22Å; R647-Y704 HydrophobicContact CG-CE2 3.81Å; R647-Y704 WeakPolarHBondContact CG-O 3.41Å; R647-R705 PolarHBondContact NE-O 3.25Å |
| 648 | C | 85.5 | Confident | 77.2 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | trans | -124.1 | 150.5 | -171.5 | -163.7 | 0 | 0 | 0 | 0 | 112.2 | I650 K703 Y704 R705 | C648-I650 HydrophobicContact CB-CG1 4.04Å; C648-I650 PolarHBondContact O-N 2.82Å; C648-K703 HydrophobicContact CB-CB 4.25Å; C648-K703 HydrophobicContact CB-CD 4.19Å; C648-Y704 PolarHBondContact N-O 3.13Å; C648-R705 WeakPolarHBondContact O-CA 3.32Å; C648-R705 WeakPolarHBondContact O-CD 3.41Å | ||
| 649 | I | 86.4 | Confident | 78 | Confident | 95 Ų | 95 | 71.2 Ų | 71.2 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | trans | -91.7 | 81.6 | 173.7 | -55.4 | -179.5 | 0 | 0 | 0 | 107.8 | E651 N652 | I649-E651 VanDerWaalsContact CG2-CD 3.42Å; I649-E651 HydrophobicContact CG2-CG 3.83Å; I649-E651 WeakPolarHBondContact CG2-OE2 3.43Å; I649-E651 PolarHBondContact O-N 3.38Å; I649-N652 HydrophobicContact CG2-CB 4.23Å; I649-N652 WeakPolarHBondContact CG2-OD1 3.28Å; I649-N652 PolarHBondContact O-N 3.2Å | ||
| 650 | I | 84.4 | Confident | 79 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -69.3 | -16.6 | -168.5 | -61.6 | 176.3 | 0 | 0 | 0 | 112.6 | C648 N652 I653 R658 V667 F668 R705 | C648-I650 HydrophobicContact CB-CG1 4.04Å; C648-I650 PolarHBondContact O-N 2.82Å; I650-N652 VanDerWaalsContact C-N 3.34Å; I650-I653 HydrophobicContact CG1-CD1 4.48Å; I650-I653 PolarHBondContact O-N 3.14Å; I650-R658 WeakPolarHBondContact O-CD 3.31Å; I650-R658 PolarHBondContact O-NH1 2.84Å; I650-V667 WeakPolarHBondContact CG2-O 3.41Å; I650-F668 WeakPolarHBondContact CD1-O 3.49Å; I650-R705 HydrophobicContact CD1-CB 4.24Å; I650-R705 HydrophobicContact CG1-CB 4.46Å |
| 651 | E | 84.3 | Confident | 79.8 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 23% | 0.229 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -71.9 | -21.3 | 169.6 | 63 | -89.3 | -130.7 | 0 | 0 | 114.4 | I649 I653 F668 R705 | I649-E651 VanDerWaalsContact CG2-CD 3.42Å; I649-E651 HydrophobicContact CG2-CG 3.83Å; I649-E651 WeakPolarHBondContact CG2-OE2 3.43Å; I649-E651 PolarHBondContact O-N 3.38Å; E651-I653 VanDerWaalsContact C-N 3.3Å; E651-F668 HydrophobicContact CB-CE2 4.27Å; E651-R705 IonicContact OE1-CZ 2.85Å; E651-R705 IonicContact OE1-NE 3.37Å; E651-R705 PolarHBondContact OE1-NE 3.44Å; E651-R705 IonicContact OE1-NH2 2.61Å; E651-R705 PolarHBondContact OE1-NH2 3.14Å; E651-R705 WeakPolarHBondContact OE2-CD 3.07Å; E651-R705 IonicContact OE2-CZ 3.3Å; E651-R705 IonicContact OE2-NE 3.43Å; E651-R705 PolarHBondContact OE2-NE 2.81Å |
| 652 | N | 84.5 | Confident | 80.9 | Confident | 131 Ų | 131 | 62.7 Ų | 62.7 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -84.4 | -6.5 | 175.3 | -68 | 16.6 | 0 | 0 | 0 | 112.5 | I649 I650 | I649-N652 HydrophobicContact CG2-CB 4.23Å; I649-N652 WeakPolarHBondContact CG2-OD1 3.28Å; I649-N652 PolarHBondContact O-N 3.2Å; I650-N652 VanDerWaalsContact C-N 3.34Å |
| 653 | I | 81.9 | Confident | 81.8 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.205 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -86.6 | 131.7 | 177.9 | -53.3 | 178.8 | 0 | 0 | 0 | 108.9 | I650 E651 D655 K657 R658 | I650-I653 HydrophobicContact CG1-CD1 4.48Å; I650-I653 PolarHBondContact O-N 3.14Å; E651-I653 VanDerWaalsContact C-N 3.3Å; I653-D655 PolarHBondContact O-N 2.8Å; I653-K657 HydrophobicContact CG2-CB 3.82Å; I653-R658 HydrophobicContact CB-CB 4.21Å; I653-R658 HydrophobicContact CG2-CB 3.9Å; I653-R658 HydrophobicContact CG2-CG 4.48Å; I653-R658 VanDerWaalsContact O-CD 3.3Å; I653-R658 WeakPolarHBondContact O-CD 3.41Å; I653-R658 PolarHBondContact O-NE 3.17Å |
| 654 | G | 78.4 | Confident | 83.2 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | trans | -51.3 | 136.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D656 K657 R658 | G654-D656 VanDerWaalsContact C-OD1 3.24Å; G654-D656 PolarHBondContact O-N 2.75Å; G654-K657 PolarHBondContact O-N 3.47Å; G654-R658 WeakPolarHBondContact O-CG 3.46Å; G654-R658 PolarHBondContact O-N 3.14Å; G654-R658 VanDerWaalsContact O-N 3.15Å | ||
| 655 | D | 80.2 | Confident | 84.5 | Confident | 33 Ų | 33 | 61 Ų | 61 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.9 | -173.8 | -86.7 | -53.7 | 0 | 0 | 0 | 114.1 | K448 I653 R658 R659 T666 | K448-D655 IonicContact NZ-OD2 2.95Å; K448-D655 PolarHBondContact NZ-OD2 3.1Å; I653-D655 PolarHBondContact O-N 2.8Å; D655-R658 IonicContact OD1-CZ 3.47Å; D655-R658 VanDerWaalsContact OD1-CZ 3.22Å; D655-R658 IonicContact OD1-NE 2.76Å; D655-R658 PolarHBondContact OD1-NE 2.84Å; D655-R658 IonicContact OD1-NH2 3.75Å; D655-R658 PolarHBondContact OD1-NH2 3.03Å; D655-R658 IonicContact OD2-NH2 3.99Å; D655-R659 WeakPolarHBondContact O-CD 3.43Å; D655-R659 VanDerWaalsContact O-CG 3.28Å; D655-R659 WeakPolarHBondContact O-CG 3.45Å; D655-R659 PolarHBondContact O-NE 3.13Å; D655-R659 PolarHBondContact O-NH2 3.48Å; D655-R659 VanDerWaalsContact O-NH2 3.12Å; D655-T666 VanDerWaalsContact OD1-CG2 3.26Å; D655-T666 WeakPolarHBondContact OD1-CG2 3.46Å |
| 656 | D | 75.4 | Confident | 85.2 | Confident | 95 Ų | 95 | 56.5 Ų | 56.5 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -48.5 | 170.2 | 64.2 | -37.9 | 0 | 0 | 0 | 112.8 | G654 | G654-D656 VanDerWaalsContact C-OD1 3.24Å; G654-D656 PolarHBondContact O-N 2.75Å |
| 657 | K | 82.2 | Confident | 85.7 | Confident | 139 Ų | 139 | 53.5 Ų | 53.5 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -33.1 | -176.6 | -67.7 | 176.3 | -176.4 | -179.1 | 0 | 112.7 | I653 G654 R659 T682 | I653-K657 HydrophobicContact CG2-CB 3.82Å; G654-K657 PolarHBondContact O-N 3.47Å; K657-R659 VanDerWaalsContact C-N 3.27Å; K657-R659 PolarHBondContact O-N 3.32Å; K657-T682 WeakPolarHBondContact O-CB 3.24Å; K657-T682 PolarHBondContact O-OG1 3.26Å |
| 658 | R | 89.2 | Confident | 86.1 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 30.4 | 176.4 | 70.5 | -178.4 | -173.2 | 152.3 | 6.6 | 114.4 | E602 I650 I653 G654 D655 T666 V667 | E602-R658 IonicContact OE2-CZ 3.07Å; E602-R658 IonicContact OE2-NH1 3.14Å; E602-R658 PolarHBondContact OE2-NH1 3.17Å; E602-R658 IonicContact OE2-NH2 2.64Å; E602-R658 PolarHBondContact OE2-NH2 3.06Å; I650-R658 WeakPolarHBondContact O-CD 3.31Å; I650-R658 PolarHBondContact O-NH1 2.84Å; I653-R658 HydrophobicContact CB-CB 4.21Å; I653-R658 HydrophobicContact CG2-CB 3.9Å; I653-R658 HydrophobicContact CG2-CG 4.48Å; I653-R658 VanDerWaalsContact O-CD 3.3Å; I653-R658 WeakPolarHBondContact O-CD 3.41Å; I653-R658 PolarHBondContact O-NE 3.17Å; G654-R658 WeakPolarHBondContact O-CG 3.46Å; G654-R658 PolarHBondContact O-N 3.14Å; G654-R658 VanDerWaalsContact O-N 3.15Å; D655-R658 IonicContact OD1-CZ 3.47Å; D655-R658 VanDerWaalsContact OD1-CZ 3.22Å; D655-R658 IonicContact OD1-NE 2.76Å; D655-R658 PolarHBondContact OD1-NE 2.84Å; D655-R658 IonicContact OD1-NH2 3.75Å; D655-R658 PolarHBondContact OD1-NH2 3.03Å; D655-R658 IonicContact OD2-NH2 3.99Å; R658-T666 HydrophobicContact CG-CG2 3.84Å; R658-T666 CarbonylContact O-C 3.55Å; R658-T666 WeakPolarHBondContact O-CA 3.26Å; R658-V667 HydrophobicContact CB-CG2 4.08Å; R658-V667 WeakPolarHBondContact O-CG2 3.39Å; R658-V667 PolarHBondContact O-N 3.43Å |
| 659 | R | 90 | Very high | 86.5 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 29% | 0.291 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | -97.3 | 136.7 | 171.1 | -70.2 | 170.3 | -167.4 | 160.5 | 10.9 | 110.6 | D655 K657 E661 T665 T682 | D655-R659 WeakPolarHBondContact O-CD 3.43Å; D655-R659 VanDerWaalsContact O-CG 3.28Å; D655-R659 WeakPolarHBondContact O-CG 3.45Å; D655-R659 PolarHBondContact O-NE 3.13Å; D655-R659 PolarHBondContact O-NH2 3.48Å; D655-R659 VanDerWaalsContact O-NH2 3.12Å; K657-R659 VanDerWaalsContact C-N 3.27Å; K657-R659 PolarHBondContact O-N 3.32Å; R659-E661 PolarHBondContact O-N 2.96Å; R659-T665 WeakPolarHBondContact CA-O 3.46Å; R659-T682 WeakPolarHBondContact O-CB 3.39Å |
| 660 | C | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -61.5 | 127 | 166.6 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | I662 C663 R664 T665 T682 C684 | C660-I662 VanDerWaalsContact C-N 3.26Å; C660-I662 PolarHBondContact O-N 2.04Å; C660-C663 VanDerWaalsContact CB-SG 3.58Å; C660-C663 VanDerWaalsContact SG-SG 3.65Å; C660-R664 VanDerWaalsContact O-CA 3.24Å; C660-R664 WeakPolarHBondContact O-CA 3.45Å; C660-R664 PolarHBondContact O-N 3.46Å; C660-T665 PolarHBondContact N-O 2.82Å; C660-T682 WeakPolarHBondContact CA-O 3.45Å; C660-C684 HydrophobicContact CB-CB 4.19Å | ||
| 661 | E | 85.7 | Confident | 87.2 | Confident | 78 Ų | 78 | 42.7 Ų | 42.7 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -43 | 179.7 | -173.3 | -177.4 | -143.7 | 0 | 0 | 112.4 | R659 R681 T682 L683 | R659-E661 PolarHBondContact O-N 2.96Å; E661-R681 VanDerWaalsContact CD-CD 3.48Å; E661-R681 VanDerWaalsContact OE1-CD 3.32Å; E661-R681 WeakPolarHBondContact OE1-CD 3.5Å; E661-R681 WeakPolarHBondContact OE2-CD 3.46Å; E661-R681 IonicContact OE2-NH1 2.77Å; E661-T682 PolarHBondContact N-O 3.4Å; E661-L683 HydrophobicContact CB-CD2 4.01Å |
| 662 | I | 84.9 | Confident | 87.3 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -55.7 | -175 | -69.6 | 166.2 | 0 | 0 | 0 | 112.5 | R593 C660 H687 V691 | R593-I662 WeakPolarHBondContact CD-O 3.47Å; C660-I662 VanDerWaalsContact C-N 3.26Å; C660-I662 PolarHBondContact O-N 2.04Å; I662-H687 HydrophobicContact CB-CB 4.39Å; I662-H687 HydrophobicContact CD1-CB 4.01Å; I662-V691 HydrophobicContact CD1-CG2 3.52Å; I662-V691 HydrophobicContact CG1-CG2 4.47Å |
| 663 | C | 87.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -0.7 | -170.9 | 69.9 | 0 | 0 | 0 | 0 | 115.1 | K590 C660 T665 | K590-C663 HydrophobicContact CB-CB 4.27Å; K590-C663 HydrophobicContact CG-CB 4.45Å; C660-C663 VanDerWaalsContact CB-SG 3.58Å; C660-C663 VanDerWaalsContact SG-SG 3.65Å; C663-T665 PolarHBondContact O-N 3.33Å; C663-T665 PolarHBondContact SG-OG1 2.97Å; C663-T665 VanDerWaalsContact SG-OG1 3.35Å |
| 664 | R | 86 | Confident | 87.5 | Confident | 122 Ų | 122 | 33.8 Ų | 33.8 | 46% | 0.46 | 16% | 0.163 | S | C | . | . | trans | 59.7 | 4.4 | 178.9 | -53.1 | -55.3 | -168.9 | 167.4 | 1.2 | 116.7 | R593 C660 | R593-R664 HydrophobicContact CB-CG 4.46Å; R593-R664 WeakPolarHBondContact O-CB 3.43Å; R593-R664 WeakPolarHBondContact O-CG 3.32Å; C660-R664 VanDerWaalsContact O-CA 3.24Å; C660-R664 WeakPolarHBondContact O-CA 3.45Å; C660-R664 PolarHBondContact O-N 3.46Å | ||
| 665 | T | 91.1 | Very high | 87.5 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 8% | 0.08 | 16% | 0.164 | C | C | . | . | trans | -64.8 | 134.9 | 173.3 | -48.1 | 0 | 0 | 0 | 0 | 111.6 | I586 K590 R659 C660 C663 V667 | I586-T665 HydrophobicContact CG2-CG2 3.99Å; K590-T665 WeakPolarHBondContact CG-OG1 3.42Å; R659-T665 WeakPolarHBondContact CA-O 3.46Å; C660-T665 PolarHBondContact N-O 2.82Å; C663-T665 PolarHBondContact O-N 3.33Å; C663-T665 PolarHBondContact SG-OG1 2.97Å; C663-T665 VanDerWaalsContact SG-OG1 3.35Å; T665-V667 PolarHBondContact O-N 3.35Å | ||
| 666 | T | 91.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 108.8 | 172.6 | -48.6 | 0 | 0 | 0 | 0 | 109.9 | S599 D655 R658 | S599-T666 PolarHBondContact OG-O 3.21Å; D655-T666 VanDerWaalsContact OD1-CG2 3.26Å; D655-T666 WeakPolarHBondContact OD1-CG2 3.46Å; R658-T666 HydrophobicContact CG-CG2 3.84Å; R658-T666 CarbonylContact O-C 3.55Å; R658-T666 WeakPolarHBondContact O-CA 3.26Å |
| 667 | V | 93.2 | Very high | 86.9 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | trans | -74 | 150.7 | 179.5 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | I650 R658 T665 C671 T682 C684 | I650-V667 WeakPolarHBondContact CG2-O 3.41Å; R658-V667 HydrophobicContact CB-CG2 4.08Å; R658-V667 WeakPolarHBondContact O-CG2 3.39Å; R658-V667 PolarHBondContact O-N 3.43Å; T665-V667 PolarHBondContact O-N 3.35Å; V667-C671 HydrophobicContact CB-CB 4.15Å; V667-C671 HydrophobicContact CG1-CB 4.2Å; V667-C671 HydrophobicContact CG2-CB 3.83Å; V667-T682 HydrophobicContact CG2-CG2 3.73Å; V667-C684 HydrophobicContact CG1-CB 3.62Å | ||
| 668 | F | 94.7 | Very high | 86.1 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | -145.4 | -49.3 | 177.8 | 175.8 | -106.3 | 0 | 0 | 0 | 114.2 | S599 D601 E602 C605 I650 E651 R705 F706 | S599-F668 WeakPolarHBondContact OG-CB 3.36Å; D601-F668 HydrophobicContact CB-CB 4.43Å; D601-F668 HydrophobicContact CB-CD1 4.09Å; E602-F668 VanDerWaalsContact CA-CD1 3.48Å; E602-F668 HydrophobicContact CB-CB 4.23Å; E602-F668 HydrophobicContact CB-CD1 3.9Å; E602-F668 HydrophobicContact CB-CD2 3.7Å; E602-F668 HydrophobicContact CB-CE1 4.19Å; E602-F668 HydrophobicContact CB-CE2 4.02Å; E602-F668 HydrophobicContact CB-CG 3.64Å; E602-F668 HydrophobicContact CB-CZ 4.24Å; E602-F668 HydrophobicContact CG-CD2 3.72Å; E602-F668 HydrophobicContact CG-CE1 4.46Å; E602-F668 HydrophobicContact CG-CE2 3.64Å; E602-F668 HydrophobicContact CG-CG 4.19Å; E602-F668 HydrophobicContact CG-CZ 4.02Å; C605-F668 HydrophobicContact CB-CE1 3.75Å; C605-F668 HydrophobicContact CB-CZ 4.3Å; I650-F668 WeakPolarHBondContact CD1-O 3.49Å; E651-F668 HydrophobicContact CB-CE2 4.27Å; F668-R705 HydrophobicContact CE2-CG 4.02Å; F668-R705 HydrophobicContact CZ-CG 3.92Å; F668-R705 VanDerWaalsContact O-CB 3.25Å; F668-R705 WeakPolarHBondContact O-CB 3.24Å; F668-F706 HydrophobicContact CE1-CD2 4.49Å; F668-F706 AromaticContact CE1-CE2 3.84Å; F668-F706 HydrophobicContact CE1-CE2 3.84Å; F668-F706 AromaticContact CZ-CE2 3.84Å; F668-F706 HydrophobicContact CZ-CE2 3.84Å | ||
| 669 | L | 94.9 | Very high | 85.1 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -69.4 | -45.6 | -177.3 | -58.3 | 173.7 | 0 | 0 | 0 | 112.2 | D601 M628 E632 R636 Y704 R705 L711 | D601-L669 HydrophobicContact CB-CD1 4.17Å; D601-L669 HydrophobicContact CB-CD2 4.23Å; D601-L669 HydrophobicContact CB-CG 3.91Å; M628-L669 HydrophobicContact CE-CD1 4.33Å; M628-L669 HydrophobicContact CE-CD2 3.98Å; M628-L669 HydrophobicContact CG-CD1 3.55Å; M628-L669 HydrophobicContact SD-CD1 3.88Å; M628-L669 HydrophobicContact SD-CD2 4.08Å; M628-L669 HydrophobicContact SD-CG 4.48Å; E632-L669 HydrophobicContact CB-CD1 4.24Å; E632-L669 HydrophobicContact CG-CB 4.4Å; E632-L669 HydrophobicContact CG-CD1 4.3Å; E632-L669 WeakPolarHBondContact OE1-CB 3.32Å; R636-L669 PolarHBondContact NH2-O 3.27Å; L669-Y704 WeakPolarHBondContact O-CA 3.43Å; L669-R705 PolarHBondContact O-N 3.04Å; L669-L711 HydrophobicContact CD2-CD2 4.24Å |
| 670 | S | 92.8 | Very high | 84.6 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 163.6 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | E632 L685 K703 | E632-S670 VanDerWaalsContact OE1-CB 3.26Å; E632-S670 WeakPolarHBondContact OE1-CB 3.48Å; E632-S670 PolarHBondContact OE1-OG 2.89Å; E632-S670 PolarHBondContact OE2-OG 3.41Å; S670-L685 VanDerWaalsContact OG-CD1 3.23Å; S670-L685 WeakPolarHBondContact OG-CD1 3.24Å; S670-L685 WeakPolarHBondContact OG-CG 3.36Å; S670-K703 CarbonylContact C-O 3.59Å; S670-K703 WeakPolarHBondContact CA-O 3.45Å; S670-K703 VanDerWaalsContact CB-O 3.27Å; S670-K703 WeakPolarHBondContact CB-O 3.45Å |
| 671 | C | 91.1 | Very high | 84.3 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 174.1 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | V667 T682 L683 K703 | V667-C671 HydrophobicContact CB-CB 4.15Å; V667-C671 HydrophobicContact CG1-CB 4.2Å; V667-C671 HydrophobicContact CG2-CB 3.83Å; C671-T682 HydrophobicContact CB-CG2 4.11Å; C671-L683 CarbonylContact C-O 3.48Å; C671-L683 VanDerWaalsContact CA-O 3.25Å; C671-L683 WeakPolarHBondContact CA-O 3.26Å; C671-L683 WeakPolarHBondContact CB-O 3.28Å; C671-K703 PolarHBondContact N-O 2.73Å; C671-K703 PolarHBondContact O-N 2.66Å |
| 672 | V | 88 | Confident | 84.4 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.6 | 159.8 | 176 | 0 | 0 | 0 | 0 | 107.5 | L683 L685 V688 C700 T701 F702 | V672-L683 PolarHBondContact N-O 3.48Å; V672-L683 PolarHBondContact O-N 3.48Å; V672-L685 HydrophobicContact CG2-CD2 4.26Å; V672-V688 HydrophobicContact CB-CG2 3.85Å; V672-V688 HydrophobicContact CG2-CG1 4.21Å; V672-V688 HydrophobicContact CG2-CG2 3.58Å; V672-C700 HydrophobicContact CG1-CB 3.92Å; V672-T701 WeakPolarHBondContact CA-O 3.31Å; V672-F702 HydrophobicContact CG2-CB 4.44Å; V672-F702 HydrophobicContact CG2-CD2 4.21Å |
| 673 | E | 87.3 | Confident | 84.6 | Confident | 32 Ų | 32 | 45.6 Ų | 45.6 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.6 | 161.6 | -77 | 173.4 | -146 | 0 | 0 | 108 | R681 C700 T701 K703 | E673-R681 WeakPolarHBondContact CA-O 3.33Å; E673-C700 CarbonylContact O-C 3.52Å; E673-C700 WeakPolarHBondContact O-CA 3.18Å; E673-T701 PolarHBondContact N-O 2.91Å; E673-T701 PolarHBondContact O-N 2.97Å; E673-K703 VanDerWaalsContact OE1-CD 3.32Å; E673-K703 WeakPolarHBondContact OE1-CD 3.39Å; E673-K703 VanDerWaalsContact OE1-CE 3.23Å; E673-K703 WeakPolarHBondContact OE1-CE 3.28Å; E673-K703 IonicContact OE1-NZ 2.81Å; E673-K703 PolarHBondContact OE1-NZ 3.25Å; E673-K703 VanDerWaalsContact OE2-CE 3.27Å; E673-K703 WeakPolarHBondContact OE2-CE 3.33Å; E673-K703 IonicContact OE2-NZ 3.53Å; E673-K703 PolarHBondContact OE2-NZ 3.02Å |
| 674 | C | 81.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.1 | 168.8 | -163.2 | 0 | 0 | 0 | 0 | 109.5 | C676 R681 C700 | C674-C676 WeakPolarHBondContact CB-SG 3.45Å; C674-C676 WeakPolarHBondContact SG-CB 3.21Å; C674-C676 PolarHBondContact SG-N 2.98Å; C674-C676 CovalentContact SG-SG 2.04Å; C674-C676 PolarHBondContact SG-SG 3.48Å; C674-R681 PolarHBondContact N-O 3.27Å; C674-R681 PolarHBondContact O-N 2.84Å; C674-C700 PolarHBondContact SG-SG 3.4Å |
| 675 | H | 80.3 | Confident | 85 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | trans | -97.6 | 0.9 | 172 | -53 | -76.8 | 0 | 0 | 0 | 112.2 | A677 R678 D680 D699 | H675-A677 PolarHBondContact O-N 2.7Å; H675-R678 PolarHBondContact O-N 2.73Å; H675-D680 IonicContact CE1-OD1 2.9Å; H675-D680 IonicContact CG-OD1 3.88Å; H675-D680 IonicContact ND1-OD1 3.77Å; H675-D680 PolarHBondContact ND1-OD1 3.35Å; H675-D699 HydrophobicContact CB-CB 4.36Å; H675-D699 PolarHBondContact N-O 3.39Å; H675-D699 VanDerWaalsContact N-O 3.13Å | ||
| 676 | C | 74 | Confident | 84.9 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -45.3 | 133 | 177.1 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | C674 R678 R681 C697 | C674-C676 WeakPolarHBondContact CB-SG 3.45Å; C674-C676 WeakPolarHBondContact SG-CB 3.21Å; C674-C676 PolarHBondContact SG-N 2.98Å; C674-C676 CovalentContact SG-SG 2.04Å; C674-C676 PolarHBondContact SG-SG 3.48Å; C676-R678 VanDerWaalsContact C-N 3.29Å; C676-R678 PolarHBondContact O-N 2.76Å; C676-R681 PolarHBondContact O-NH2 2.9Å; C676-R681 PolarHBondContact SG-NH2 2.91Å; C676-C697 HydrophobicContact CB-CB 4.45Å |
| 677 | A | 67.3 | Low | 84.5 | Confident | 87 Ų | 87 | 45.9 Ų | 45.9 | 72% | 0.719 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | 58 | 32.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | H675 K679 | H675-A677 PolarHBondContact O-N 2.7Å; A677-K679 VanDerWaalsContact C-N 3.32Å; A677-K679 PolarHBondContact O-N 3.06Å |
| 678 | R | 66.1 | Low | 83.9 | Confident | 246 Ų | 246 | 46.1 Ų | 46.1 | 93% | 0.928 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | 56.3 | 40.5 | 176.7 | -56.5 | -178.4 | -178.7 | 172.2 | -0.4 | 113.4 | H675 C676 | H675-R678 PolarHBondContact O-N 2.73Å; C676-R678 VanDerWaalsContact C-N 3.29Å; C676-R678 PolarHBondContact O-N 2.76Å |
| 679 | K | 67.6 | Low | 82.8 | Confident | 132 Ų | 132 | 53 Ų | 53 | 57% | 0.574 | 26% | 0.257 | S | S | * | . | trans | -133.4 | 114.6 | 175.5 | -71.2 | -177.2 | 178.5 | -178.7 | 0 | 109.4 | A677 R681 | A677-K679 VanDerWaalsContact C-N 3.32Å; A677-K679 PolarHBondContact O-N 3.06Å; K679-R681 HydrophobicContact CB-CG 4.1Å; K679-R681 WeakPolarHBondContact O-CG 3.28Å; K679-R681 PolarHBondContact O-N 3.12Å; K679-R681 PolarHBondContact O-NE 3.11Å | ||
| 680 | D | 80.8 | Confident | 81.2 | Confident | 136 Ų | 136 | 54.8 Ų | 54.8 | 73% | 0.727 | 28% | 0.277 | S | S | * | . | trans | -69 | 109.6 | 175.3 | -57.2 | -37.1 | 0 | 0 | 0 | 109.8 | H675 | H675-D680 IonicContact CE1-OD1 2.9Å; H675-D680 IonicContact CG-OD1 3.88Å; H675-D680 IonicContact ND1-OD1 3.77Å; H675-D680 PolarHBondContact ND1-OD1 3.35Å | ||
| 681 | R | 83.7 | Confident | 79.8 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 109.5 | -171.1 | -73.2 | -179 | -78 | 169.5 | -4.8 | 112.4 | E661 E673 C674 C676 K679 V691 | E661-R681 VanDerWaalsContact CD-CD 3.48Å; E661-R681 VanDerWaalsContact OE1-CD 3.32Å; E661-R681 WeakPolarHBondContact OE1-CD 3.5Å; E661-R681 WeakPolarHBondContact OE2-CD 3.46Å; E661-R681 IonicContact OE2-NH1 2.77Å; E673-R681 WeakPolarHBondContact CA-O 3.33Å; C674-R681 PolarHBondContact N-O 3.27Å; C674-R681 PolarHBondContact O-N 2.84Å; C676-R681 PolarHBondContact O-NH2 2.9Å; C676-R681 PolarHBondContact SG-NH2 2.91Å; K679-R681 HydrophobicContact CB-CG 4.1Å; K679-R681 WeakPolarHBondContact O-CG 3.28Å; K679-R681 PolarHBondContact O-N 3.12Å; K679-R681 PolarHBondContact O-NE 3.11Å; R681-V691 VanDerWaalsContact NH1-CG1 3.27Å |
| 682 | T | 89.1 | Confident | 78.4 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.2 | 170 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | K657 R659 C660 E661 V667 C671 | K657-T682 WeakPolarHBondContact O-CB 3.24Å; K657-T682 PolarHBondContact O-OG1 3.26Å; R659-T682 WeakPolarHBondContact O-CB 3.39Å; C660-T682 WeakPolarHBondContact CA-O 3.45Å; E661-T682 PolarHBondContact N-O 3.4Å; V667-T682 HydrophobicContact CG2-CG2 3.73Å; C671-T682 HydrophobicContact CB-CG2 4.11Å |
| 683 | L | 88.8 | Confident | 76.6 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.1 | 178.4 | -59.7 | 173.4 | 0 | 0 | 0 | 111 | E661 C671 V672 V688 V691 | E661-L683 HydrophobicContact CB-CD2 4.01Å; C671-L683 CarbonylContact C-O 3.48Å; C671-L683 VanDerWaalsContact CA-O 3.25Å; C671-L683 WeakPolarHBondContact CA-O 3.26Å; C671-L683 WeakPolarHBondContact CB-O 3.28Å; V672-L683 PolarHBondContact N-O 3.48Å; V672-L683 PolarHBondContact O-N 3.48Å; L683-V688 HydrophobicContact CB-CG2 4.36Å; L683-V691 HydrophobicContact CD1-CB 3.74Å; L683-V691 HydrophobicContact CD1-CG1 4.19Å; L683-V691 HydrophobicContact CD1-CG2 3.6Å; L683-V691 HydrophobicContact CD2-CG2 3.81Å; L683-V691 HydrophobicContact CG-CG2 4.38Å |
| 684 | C | 91.6 | Very high | 74.5 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 8% | 0.081 | 34% | 0.342 | C | S | . | . | trans | -77.9 | 155 | 166.5 | 71.9 | 0 | 0 | 0 | 0 | 110.2 | C660 V667 E686 H687 V688 | C660-C684 HydrophobicContact CB-CB 4.19Å; V667-C684 HydrophobicContact CG1-CB 3.62Å; C684-E686 PolarHBondContact O-N 3.48Å; C684-E686 VanDerWaalsContact O-N 3.07Å; C684-H687 PolarHBondContact O-N 3.38Å; C684-H687 PolarHBondContact SG-ND1 2.9Å; C684-V688 PolarHBondContact O-N 2.88Å | ||
| 685 | L | 89.7 | Confident | 73.2 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27 | -169.6 | -54.1 | -163.9 | 0 | 0 | 0 | 114.5 | L635 R636 T639 S670 V672 H687 F702 | L635-L685 HydrophobicContact CB-CB 3.85Å; L635-L685 HydrophobicContact CB-CD1 3.77Å; L635-L685 HydrophobicContact CB-CG 4.41Å; L635-L685 HydrophobicContact CD1-CB 4.33Å; L635-L685 HydrophobicContact CG-CB 4.46Å; R636-L685 HydrophobicContact CG-CD1 3.76Å; T639-L685 HydrophobicContact CG2-CD2 4.28Å; S670-L685 VanDerWaalsContact OG-CD1 3.23Å; S670-L685 WeakPolarHBondContact OG-CD1 3.24Å; S670-L685 WeakPolarHBondContact OG-CG 3.36Å; V672-L685 HydrophobicContact CG2-CD2 4.26Å; L685-H687 VanDerWaalsContact C-N 3.27Å; L685-H687 PolarHBondContact O-N 3.4Å; L685-F702 HydrophobicContact CD1-CE2 3.97Å; L685-F702 HydrophobicContact CD2-CD2 4.02Å; L685-F702 HydrophobicContact CD2-CE2 3.74Å; L685-F702 HydrophobicContact CG-CE2 4.5Å |
| 686 | E | 88.4 | Confident | 71.9 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -31.7 | 174.5 | -67.8 | 161 | 178.4 | 0 | 0 | 112.6 | K590 L635 C684 | K590-E686 WeakPolarHBondContact CD-OE2 3.32Å; K590-E686 VanDerWaalsContact CE-OE2 3.25Å; K590-E686 WeakPolarHBondContact CE-OE2 3.19Å; K590-E686 IonicContact NZ-OE1 2.86Å; K590-E686 PolarHBondContact NZ-OE1 3.1Å; K590-E686 IonicContact NZ-OE2 2.91Å; K590-E686 PolarHBondContact NZ-OE2 3.2Å; L635-E686 HydrophobicContact CD1-CG 4Å; L635-E686 HydrophobicContact CD2-CG 3.66Å; C684-E686 PolarHBondContact O-N 3.48Å; C684-E686 VanDerWaalsContact O-N 3.07Å |
| 687 | H | 84.8 | Confident | 71.5 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -3.4 | -172 | -68.4 | 105.6 | 0 | 0 | 0 | 114.6 | I662 C684 L685 K689 G690 | I662-H687 HydrophobicContact CB-CB 4.39Å; I662-H687 HydrophobicContact CD1-CB 4.01Å; C684-H687 PolarHBondContact O-N 3.38Å; C684-H687 PolarHBondContact SG-ND1 2.9Å; L685-H687 VanDerWaalsContact C-N 3.27Å; L685-H687 PolarHBondContact O-N 3.4Å; H687-K689 VanDerWaalsContact C-N 3.26Å; H687-K689 PolarHBondContact O-N 2.9Å; H687-G690 PolarHBondContact O-N 3.23Å |
| 688 | V | 79.9 | Confident | 71.3 | Confident | 14 Ų | 14 | 69 Ų | 69 | 9% | 0.085 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -53.9 | -43.4 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | V672 L683 C684 G690 V691 | V672-V688 HydrophobicContact CB-CG2 3.85Å; V672-V688 HydrophobicContact CG2-CG1 4.21Å; V672-V688 HydrophobicContact CG2-CG2 3.58Å; L683-V688 HydrophobicContact CB-CG2 4.36Å; C684-V688 PolarHBondContact O-N 2.88Å; V688-G690 PolarHBondContact O-N 3.23Å; V688-V691 PolarHBondContact O-N 3.45Å |
| 689 | K | 71.2 | Confident | 71.7 | Confident | 153 Ų | 153 | 61.9 Ų | 61.9 | 67% | 0.665 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -63.9 | -18.9 | 177 | -75.3 | -175.6 | 169.8 | 179.1 | 0 | 114.4 | I638 H687 | I638-K689 HydrophobicContact CG2-CD 4.4Å; I638-K689 VanDerWaalsContact CG2-CE 3.44Å; H687-K689 VanDerWaalsContact C-N 3.26Å; H687-K689 PolarHBondContact O-N 2.9Å |
| 690 | G | 61.4 | Low | 72.3 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 45% | 0.454 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -84.7 | -10.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | H687 V688 | H687-G690 PolarHBondContact O-N 3.23Å; V688-G690 PolarHBondContact O-N 3.23Å |
| 691 | V | 62.9 | Low | 72.5 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -43.3 | -174.1 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | I662 R681 L683 V688 L693 | I662-V691 HydrophobicContact CD1-CG2 3.52Å; I662-V691 HydrophobicContact CG1-CG2 4.47Å; R681-V691 VanDerWaalsContact NH1-CG1 3.27Å; L683-V691 HydrophobicContact CD1-CB 3.74Å; L683-V691 HydrophobicContact CD1-CG1 4.19Å; L683-V691 HydrophobicContact CD1-CG2 3.6Å; L683-V691 HydrophobicContact CD2-CG2 3.81Å; L683-V691 HydrophobicContact CG-CG2 4.38Å; V688-V691 PolarHBondContact O-N 3.45Å; V691-L693 PolarHBondContact O-N 2.87Å |
| 692 | C | 61.9 | Low | 72.7 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | trans | -96 | 67.5 | 176.6 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | L694 A695 | C692-L694 PolarHBondContact O-N 3.04Å; C692-L694 VanDerWaalsContact O-N 3.13Å; C692-A695 WeakPolarHBondContact CB-O 3.38Å | ||
| 693 | L | 50.3 | Low | 72.7 | Confident | 76 Ų | 76 | 49 Ų | 49 | 40% | 0.398 | 29% | 0.292 | S | S | . | . | trans | -67.3 | -11.4 | -168.8 | -69.2 | 169.2 | 0 | 0 | 0 | 116 | A182 K183 V691 | A182-L693 HydrophobicContact CB-CD1 3.87Å; A182-L693 HydrophobicContact CB-CD2 4.06Å; K183-L693 WeakPolarHBondContact CE-O 3.48Å; V691-L693 PolarHBondContact O-N 2.87Å | ||
| 694 | L | 44.5 | Very low | 72.9 | Confident | 153 Ų | 153 | 51.4 Ų | 51.4 | 80% | 0.801 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -106.4 | -42.9 | -173.9 | -71.5 | 167.7 | 0 | 0 | 0 | 113.5 | T184 C692 | T184-L694 HydrophobicContact CG2-CD2 3.67Å; C692-L694 PolarHBondContact O-N 3.04Å; C692-L694 VanDerWaalsContact O-N 3.13Å |
| 695 | A | 52.2 | Low | 73 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -164.7 | 161.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | C692 C697 | C692-A695 WeakPolarHBondContact CB-O 3.38Å; A695-C697 PolarHBondContact O-N 3.27Å; A695-C697 VanDerWaalsContact O-N 3.11Å |
| 696 | P | 54.9 | Low | 73.2 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 51% | 0.506 | 31% | 0.308 | S | S | . | . | trans | -56.1 | 118.4 | 161.9 | 25.3 | -33.2 | 0 | 0 | 0 | 109 | ||||
| 697 | C | 63.9 | Low | 73.4 | Confident | 28 Ų | 28 | 52 Ų | 52 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | trans | -67.5 | 142.4 | 176 | 168.5 | 0 | 0 | 0 | 0 | 109.7 | C676 A695 D699 C700 | C676-C697 HydrophobicContact CB-CB 4.45Å; A695-C697 PolarHBondContact O-N 3.27Å; A695-C697 VanDerWaalsContact O-N 3.11Å; C697-D699 PolarHBondContact O-N 2.97Å; C697-D699 PolarHBondContact SG-N 3.41Å; C697-D699 PolarHBondContact SG-OD2 3.2Å; C697-D699 VanDerWaalsContact SG-OD2 3.4Å; C697-C700 VanDerWaalsContact O-CB 3.29Å; C697-C700 WeakPolarHBondContact O-CB 3.21Å; C697-C700 PolarHBondContact O-N 3.5Å | ||
| 698 | G | 64.2 | Low | 73.9 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C700 | G698-C700 PolarHBondContact O-N 3.24Š|
| 699 | D | 74.4 | Confident | 74.6 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 24.4 | 179.7 | -35.2 | -50.9 | 0 | 0 | 0 | 112.9 | H675 C697 | H675-D699 HydrophobicContact CB-CB 4.36Å; H675-D699 PolarHBondContact N-O 3.39Å; H675-D699 VanDerWaalsContact N-O 3.13Å; C697-D699 PolarHBondContact O-N 2.97Å; C697-D699 PolarHBondContact SG-N 3.41Å; C697-D699 PolarHBondContact SG-OD2 3.2Å; C697-D699 VanDerWaalsContact SG-OD2 3.4Å |
| 700 | C | 79.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 106.4 | 175.1 | -77.6 | 0 | 0 | 0 | 0 | 112.1 | H642 V672 E673 C674 C697 G698 | H642-C700 VanDerWaalsContact CE1-CB 3.42Å; H642-C700 WeakPolarHBondContact CE1-CB 3.4Å; H642-C700 WeakPolarHBondContact ND1-CB 3.1Å; H642-C700 PolarHBondContact ND1-O 2.83Å; V672-C700 HydrophobicContact CG1-CB 3.92Å; E673-C700 CarbonylContact O-C 3.52Å; E673-C700 WeakPolarHBondContact O-CA 3.18Å; C674-C700 PolarHBondContact SG-SG 3.4Å; C697-C700 VanDerWaalsContact O-CB 3.29Å; C697-C700 WeakPolarHBondContact O-CB 3.21Å; C697-C700 PolarHBondContact O-N 3.5Å; G698-C700 PolarHBondContact O-N 3.24Å |
| 701 | T | 84.8 | Confident | 77.3 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 120.2 | 174.4 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | V644 E646 V672 E673 K703 | V644-T701 HydrophobicContact CB-CG2 4.45Å; V644-T701 HydrophobicContact CG1-CG2 4.04Å; E646-T701 HydrophobicContact CB-CG2 3.9Å; V672-T701 WeakPolarHBondContact CA-O 3.31Å; E673-T701 PolarHBondContact N-O 2.91Å; E673-T701 PolarHBondContact O-N 2.97Å; T701-K703 HydrophobicContact CG2-CG 3.9Å |
| 702 | F | 88.2 | Confident | 78.8 | Confident | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 118.9 | 168.3 | 170.9 | -100.1 | 0 | 0 | 0 | 109.5 | R636 H642 V644 N645 E646 V672 L685 Y704 | R636-F702 HydrophobicContact CG-CE2 4.32Å; R636-F702 HydrophobicContact CG-CZ 3.91Å; H642-F702 HydrophobicContact CB-CB 4.3Å; V644-F702 PolarHBondContact O-N 3.2Å; N645-F702 CarbonylContact C-O 3.58Å; N645-F702 WeakPolarHBondContact CA-O 3.45Å; N645-F702 HydrophobicContact CB-CD1 4.38Å; N645-F702 WeakPolarHBondContact OD1-CD1 3.38Å; E646-F702 PolarHBondContact N-O 3.29Å; V672-F702 HydrophobicContact CG2-CB 4.44Å; V672-F702 HydrophobicContact CG2-CD2 4.21Å; L685-F702 HydrophobicContact CD1-CE2 3.97Å; L685-F702 HydrophobicContact CD2-CD2 4.02Å; L685-F702 HydrophobicContact CD2-CE2 3.74Å; L685-F702 HydrophobicContact CG-CE2 4.5Å; F702-Y704 AromaticContact CD1-CD1 3.94Å; F702-Y704 HydrophobicContact CD1-CD1 3.94Å; F702-Y704 AromaticContact CE1-CD1 3.51Å; F702-Y704 HydrophobicContact CE1-CD1 3.51Å; F702-Y704 HydrophobicContact CE1-CE1 4.42Å; F702-Y704 HydrophobicContact CE1-CG 4Å; F702-Y704 HydrophobicContact CZ-CD1 4.46Å |
| 703 | K | 89.7 | Confident | 80.4 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139.8 | 178 | -57.9 | -162.5 | -176.5 | 176.8 | 0 | 111.2 | E646 C648 S670 C671 E673 T701 | E646-K703 HydrophobicContact CB-CG 4.27Å; E646-K703 VanDerWaalsContact O-CA 3.31Å; E646-K703 WeakPolarHBondContact O-CA 3.46Å; E646-K703 IonicContact OE1-NZ 3.22Å; E646-K703 WeakPolarHBondContact OE2-CE 3.32Å; E646-K703 IonicContact OE2-NZ 3.27Å; C648-K703 HydrophobicContact CB-CB 4.25Å; C648-K703 HydrophobicContact CB-CD 4.19Å; S670-K703 CarbonylContact C-O 3.59Å; S670-K703 WeakPolarHBondContact CA-O 3.45Å; S670-K703 VanDerWaalsContact CB-O 3.27Å; S670-K703 WeakPolarHBondContact CB-O 3.45Å; C671-K703 PolarHBondContact N-O 2.73Å; C671-K703 PolarHBondContact O-N 2.66Å; E673-K703 VanDerWaalsContact OE1-CD 3.32Å; E673-K703 WeakPolarHBondContact OE1-CD 3.39Å; E673-K703 VanDerWaalsContact OE1-CE 3.23Å; E673-K703 WeakPolarHBondContact OE1-CE 3.28Å; E673-K703 IonicContact OE1-NZ 2.81Å; E673-K703 PolarHBondContact OE1-NZ 3.25Å; E673-K703 VanDerWaalsContact OE2-CE 3.27Å; E673-K703 WeakPolarHBondContact OE2-CE 3.33Å; E673-K703 IonicContact OE2-NZ 3.53Å; E673-K703 PolarHBondContact OE2-NZ 3.02Å; T701-K703 HydrophobicContact CG2-CG 3.9Å |
| 704 | Y | 92.7 | Very high | 82.5 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.7 | 178.6 | 66.3 | -84.7 | 0 | 0 | 0 | 113.1 | E646 R647 C648 L669 F702 F706 T707 | E646-Y704 WeakPolarHBondContact O-CD1 3.48Å; E646-Y704 WeakPolarHBondContact O-CE1 3.41Å; E646-Y704 PolarHBondContact O-N 3.42Å; R647-Y704 CarbonylContact C-O 3.54Å; R647-Y704 WeakPolarHBondContact CA-O 3.4Å; R647-Y704 HydrophobicContact CB-CE1 4.3Å; R647-Y704 HydrophobicContact CB-CE2 3.9Å; R647-Y704 HydrophobicContact CG-CD2 4.22Å; R647-Y704 HydrophobicContact CG-CE2 3.81Å; R647-Y704 WeakPolarHBondContact CG-O 3.41Å; C648-Y704 PolarHBondContact N-O 3.13Å; L669-Y704 WeakPolarHBondContact O-CA 3.43Å; F702-Y704 AromaticContact CD1-CD1 3.94Å; F702-Y704 HydrophobicContact CD1-CD1 3.94Å; F702-Y704 AromaticContact CE1-CD1 3.51Å; F702-Y704 HydrophobicContact CE1-CD1 3.51Å; F702-Y704 HydrophobicContact CE1-CE1 4.42Å; F702-Y704 HydrophobicContact CE1-CG 4Å; F702-Y704 HydrophobicContact CZ-CD1 4.46Å; Y704-F706 WeakPolarHBondContact CD2-O 3.35Å; Y704-T707 HydrophobicContact CE2-CG2 4.16Å |
| 705 | R | 94 | Very high | 84.9 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -91.6 | -35.4 | -178.1 | 178.7 | 55 | -176.8 | 72.6 | 4.1 | 114.1 | R647 C648 I650 E651 F668 L669 | R647-R705 PolarHBondContact NE-O 3.25Å; C648-R705 WeakPolarHBondContact O-CA 3.32Å; C648-R705 WeakPolarHBondContact O-CD 3.41Å; I650-R705 HydrophobicContact CD1-CB 4.24Å; I650-R705 HydrophobicContact CG1-CB 4.46Å; E651-R705 IonicContact OE1-CZ 2.85Å; E651-R705 IonicContact OE1-NE 3.37Å; E651-R705 PolarHBondContact OE1-NE 3.44Å; E651-R705 IonicContact OE1-NH2 2.61Å; E651-R705 PolarHBondContact OE1-NH2 3.14Å; E651-R705 WeakPolarHBondContact OE2-CD 3.07Å; E651-R705 IonicContact OE2-CZ 3.3Å; E651-R705 IonicContact OE2-NE 3.43Å; E651-R705 PolarHBondContact OE2-NE 2.81Å; F668-R705 HydrophobicContact CE2-CG 4.02Å; F668-R705 HydrophobicContact CZ-CG 3.92Å; F668-R705 VanDerWaalsContact O-CB 3.25Å; F668-R705 WeakPolarHBondContact O-CB 3.24Å; L669-R705 PolarHBondContact O-N 3.04Å |
| 706 | F | 93.7 | Very high | 86.8 | Confident | 28 Ų | 28 | 46 Ų | 46 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -131.7 | 145.5 | -179.9 | -64.4 | -76.4 | 0 | 0 | 0 | 110.9 | C605 R636 F668 Y704 Q710 L711 L714 | C605-F706 HydrophobicContact CB-CE2 4.11Å; C605-F706 HydrophobicContact CB-CZ 4.49Å; R636-F706 PolarHBondContact NH1-O 2.87Å; R636-F706 PolarHBondContact NH2-O 2.69Å; F668-F706 HydrophobicContact CE1-CD2 4.49Å; F668-F706 AromaticContact CE1-CE2 3.84Å; F668-F706 HydrophobicContact CE1-CE2 3.84Å; F668-F706 AromaticContact CZ-CE2 3.84Å; F668-F706 HydrophobicContact CZ-CE2 3.84Å; Y704-F706 WeakPolarHBondContact CD2-O 3.35Å; F706-Q710 HydrophobicContact CB-CB 4.18Å; F706-Q710 HydrophobicContact CD1-CB 4.11Å; F706-L711 HydrophobicContact CB-CD1 4.5Å; F706-L711 HydrophobicContact CB-CD2 3.8Å; F706-L711 HydrophobicContact CB-CG 3.79Å; F706-L711 HydrophobicContact CD2-CD2 3.9Å; F706-L711 HydrophobicContact CG-CD2 4.01Å; F706-L714 HydrophobicContact CD1-CD1 4.4Å; F706-L714 HydrophobicContact CE1-CD1 4.04Å; F706-L714 HydrophobicContact CE2-CD1 4.45Å; F706-L714 HydrophobicContact CZ-CD1 4.08Å |
| 707 | T | 93.1 | Very high | 88.6 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | trans | -71.9 | 167 | 164.5 | 81.2 | 0 | 0 | 0 | 0 | 110.2 | Y704 E709 Q710 L711 | Y704-T707 HydrophobicContact CE2-CG2 4.16Å; T707-E709 VanDerWaalsContact C-N 3.27Å; T707-E709 WeakPolarHBondContact CB-OE2 3.49Å; T707-E709 PolarHBondContact O-N 2.68Å; T707-E709 PolarHBondContact OG1-N 2.88Å; T707-E709 PolarHBondContact OG1-OE2 2.76Å; T707-Q710 PolarHBondContact O-N 2.74Å; T707-Q710 PolarHBondContact OG1-N 3.08Å; T707-L711 WeakPolarHBondContact O-CG 3.41Å; T707-L711 PolarHBondContact O-N 3.07Å | ||
| 708 | M | 93.7 | Very high | 89.9 | Confident | 25 Ų | 25 | 46 Ų | 46 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -33.8 | 179.6 | -66 | -52.2 | -47.1 | 0 | 0 | 111.8 | I629 E632 R633 L711 D712 | I629-M708 HydrophobicContact CG2-CE 4Å; E632-M708 HydrophobicContact CG-SD 4.29Å; R633-M708 HydrophobicContact CB-CE 3.71Å; R633-M708 HydrophobicContact CG-CE 4.05Å; M708-L711 HydrophobicContact CE-CD1 4.13Å; M708-L711 PolarHBondContact O-N 3.1Å; M708-L711 HydrophobicContact SD-CD1 4.26Å; M708-D712 PolarHBondContact O-N 3.22Å |
| 709 | E | 94.7 | Very high | 91.1 | Very high | 120 Ų | 120 | 46.6 Ų | 46.6 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -66.6 | -40.9 | 178 | -52.7 | 67.4 | -143.1 | 0 | 0 | 110.5 | T707 L711 D712 L713 | T707-E709 VanDerWaalsContact C-N 3.27Å; T707-E709 WeakPolarHBondContact CB-OE2 3.49Å; T707-E709 PolarHBondContact O-N 2.68Å; T707-E709 PolarHBondContact OG1-N 2.88Å; T707-E709 PolarHBondContact OG1-OE2 2.76Å; E709-L711 VanDerWaalsContact C-N 3.32Å; E709-L711 PolarHBondContact O-N 3.46Å; E709-D712 PolarHBondContact O-N 3.33Å; E709-L713 WeakPolarHBondContact O-CB 3.21Å; E709-L713 VanDerWaalsContact O-CG 3.26Å; E709-L713 WeakPolarHBondContact O-CG 3.11Å; E709-L713 PolarHBondContact O-N 3.19Å |
| 710 | Q | 94.9 | Very high | 91.6 | Very high | 60 Ų | 60 | 44 Ų | 44 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 173.7 | -72.8 | 174.1 | -22.6 | 0 | 0 | 112.1 | F706 T707 L713 L714 | F706-Q710 HydrophobicContact CB-CB 4.18Å; F706-Q710 HydrophobicContact CD1-CB 4.11Å; T707-Q710 PolarHBondContact O-N 2.74Å; T707-Q710 PolarHBondContact OG1-N 3.08Å; Q710-L713 PolarHBondContact O-N 3.07Å; Q710-L714 WeakPolarHBondContact O-CG 3.26Å; Q710-L714 PolarHBondContact O-N 3.11Å |
| 711 | L | 95.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.6 | -43.2 | 175 | -69.1 | 176.2 | 0 | 0 | 0 | 112.2 | M628 I629 E632 L669 F706 T707 M708 E709 L713 L714 R715 | M628-L711 HydrophobicContact CE-CD2 4.19Å; I629-L711 HydrophobicContact CD1-CB 4.04Å; I629-L711 WeakPolarHBondContact CD1-O 3.39Å; I629-L711 HydrophobicContact CG1-CB 3.95Å; E632-L711 HydrophobicContact CG-CD1 4.15Å; L669-L711 HydrophobicContact CD2-CD2 4.24Å; F706-L711 HydrophobicContact CB-CD1 4.5Å; F706-L711 HydrophobicContact CB-CD2 3.8Å; F706-L711 HydrophobicContact CB-CG 3.79Å; F706-L711 HydrophobicContact CD2-CD2 3.9Å; F706-L711 HydrophobicContact CG-CD2 4.01Å; T707-L711 WeakPolarHBondContact O-CG 3.41Å; T707-L711 PolarHBondContact O-N 3.07Å; M708-L711 HydrophobicContact CE-CD1 4.13Å; M708-L711 PolarHBondContact O-N 3.1Å; M708-L711 HydrophobicContact SD-CD1 4.26Å; E709-L711 VanDerWaalsContact C-N 3.32Å; E709-L711 PolarHBondContact O-N 3.46Å; L711-L713 VanDerWaalsContact C-N 3.26Å; L711-L713 PolarHBondContact O-N 3.46Å; L711-L714 HydrophobicContact CD2-CD1 4.43Å; L711-L714 PolarHBondContact O-N 3.44Å; L711-R715 PolarHBondContact O-N 3.38Å; L711-R715 VanDerWaalsContact O-N 3.08Å |
| 712 | D | 94.9 | Very high | 91.7 | Very high | 43 Ų | 43 | 57.9 Ų | 57.9 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -35.5 | 174.6 | -75.1 | -49.8 | 0 | 0 | 0 | 111.6 | R633 M708 E709 R715 A716 | R633-D712 IonicContact CZ-OD2 2.94Å; R633-D712 IonicContact NH1-OD2 2.76Å; R633-D712 PolarHBondContact NH1-OD2 3.3Å; R633-D712 IonicContact NH2-OD1 3.81Å; R633-D712 PolarHBondContact NH2-OD1 3.04Å; R633-D712 IonicContact NH2-OD2 3.78Å; R633-D712 PolarHBondContact NH2-OD2 3.23Å; M708-D712 PolarHBondContact O-N 3.22Å; E709-D712 PolarHBondContact O-N 3.33Å; D712-R715 IonicContact OD1-CZ 3.19Å; D712-R715 IonicContact OD1-NH1 2.8Å; D712-R715 IonicContact OD1-NH2 3.37Å; D712-R715 PolarHBondContact OD1-NH2 2.97Å; D712-A716 PolarHBondContact O-N 2.98Å |
| 713 | L | 95 | Very high | 91.5 | Very high | 120 Ų | 120 | 58.5 Ų | 58.5 | 63% | 0.628 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | 172.3 | -75.1 | 169.2 | 0 | 0 | 0 | 113.2 | E709 Q710 L711 R715 A716 K717 | E709-L713 WeakPolarHBondContact O-CB 3.21Å; E709-L713 VanDerWaalsContact O-CG 3.26Å; E709-L713 WeakPolarHBondContact O-CG 3.11Å; E709-L713 PolarHBondContact O-N 3.19Å; Q710-L713 PolarHBondContact O-N 3.07Å; L711-L713 VanDerWaalsContact C-N 3.26Å; L711-L713 PolarHBondContact O-N 3.46Å; L713-R715 PolarHBondContact O-N 3.15Å; L713-A716 CarbonylContact O-C 3.59Å; L713-A716 WeakPolarHBondContact O-CA 3.45Å; L713-A716 WeakPolarHBondContact O-CB 3.45Å; L713-A716 PolarHBondContact O-N 2.9Å; L713-A716 VanDerWaalsContact O-N 3.11Å; L713-K717 PolarHBondContact O-N 2.9Å |
| 714 | L | 93.7 | Very high | 91.5 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174 | -78 | 169.4 | 0 | 0 | 0 | 111.4 | A608 D609 F706 Q710 L711 A716 K717 V718 | A608-L714 HydrophobicContact CB-CB 4.28Å; A608-L714 HydrophobicContact CB-CD2 4.18Å; D609-L714 HydrophobicContact CB-CD2 4.26Å; F706-L714 HydrophobicContact CD1-CD1 4.4Å; F706-L714 HydrophobicContact CE1-CD1 4.04Å; F706-L714 HydrophobicContact CE2-CD1 4.45Å; F706-L714 HydrophobicContact CZ-CD1 4.08Å; Q710-L714 WeakPolarHBondContact O-CG 3.26Å; Q710-L714 PolarHBondContact O-N 3.11Å; L711-L714 HydrophobicContact CD2-CD1 4.43Å; L711-L714 PolarHBondContact O-N 3.44Å; L714-A716 VanDerWaalsContact C-N 3.27Å; L714-A716 PolarHBondContact O-N 3.39Å; L714-K717 PolarHBondContact O-N 2.83Å; L714-V718 WeakPolarHBondContact O-CG2 3.44Å; L714-V718 PolarHBondContact O-N 3.03Å |
| 715 | R | 94.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 173 | -172.8 | -171.3 | 60.3 | -143.9 | -25.8 | 112.1 | F622 L625 N626 I629 L711 D712 L713 | F622-R715 HydrophobicContact CD2-CG 3.71Å; F622-R715 WeakPolarHBondContact CD2-O 3.35Å; F622-R715 HydrophobicContact CE2-CG 3.52Å; F622-R715 WeakPolarHBondContact CE2-O 3.45Å; F622-R715 HydrophobicContact CG-CG 4.44Å; F622-R715 HydrophobicContact CZ-CG 4.08Å; L625-R715 HydrophobicContact CB-CB 4.42Å; L625-R715 HydrophobicContact CB-CG 4.34Å; N626-R715 PolarHBondContact OD1-NH1 2.71Å; I629-R715 HydrophobicContact CD1-CB 3.81Å; L711-R715 PolarHBondContact O-N 3.38Å; L711-R715 VanDerWaalsContact O-N 3.08Å; D712-R715 IonicContact OD1-CZ 3.19Å; D712-R715 IonicContact OD1-NH1 2.8Å; D712-R715 IonicContact OD1-NH2 3.37Å; D712-R715 PolarHBondContact OD1-NH2 2.97Å; L713-R715 PolarHBondContact O-N 3.15Å |
| 716 | A | 92.6 | Very high | 91.5 | Very high | 57 Ų | 57 | 55.1 Ų | 55.1 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.5 | -37 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D712 L713 L714 V718 R719 | D712-A716 PolarHBondContact O-N 2.98Å; L713-A716 CarbonylContact O-C 3.59Å; L713-A716 WeakPolarHBondContact O-CA 3.45Å; L713-A716 WeakPolarHBondContact O-CB 3.45Å; L713-A716 PolarHBondContact O-N 2.9Å; L713-A716 VanDerWaalsContact O-N 3.11Å; L714-A716 VanDerWaalsContact C-N 3.27Å; L714-A716 PolarHBondContact O-N 3.39Å; A716-V718 PolarHBondContact O-N 3.01Å; A716-R719 WeakPolarHBondContact O-CB 3.47Å; A716-R719 PolarHBondContact O-N 3.49Å; A716-R719 VanDerWaalsContact O-N 3.16Å |
| 717 | K | 92.1 | Very high | 91.5 | Very high | 100 Ų | 100 | 56.7 Ų | 56.7 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -30.9 | 176.3 | -162.5 | -173.6 | -173.6 | -171 | 0 | 112.8 | D609 L713 L714 | D609-K717 PolarHBondContact O-NZ 2.92Å; D609-K717 IonicContact OD1-NZ 2.72Å; D609-K717 PolarHBondContact OD1-NZ 3.29Å; L713-K717 PolarHBondContact O-N 2.9Å; L714-K717 PolarHBondContact O-N 2.83Å |
| 718 | V | 91.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -11.5 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 112.9 | A608 R618 L621 F622 L625 L714 A716 | A608-V718 HydrophobicContact CB-CG2 3.78Å; R618-V718 WeakPolarHBondContact CD-O 3.46Å; R618-V718 HydrophobicContact CG-CG1 3.67Å; R618-V718 WeakPolarHBondContact CG-O 3.33Å; R618-V718 WeakPolarHBondContact O-CG1 3.3Å; L621-V718 HydrophobicContact CB-CG1 4.31Å; L621-V718 HydrophobicContact CD2-CG1 3.98Å; L621-V718 HydrophobicContact CD2-CG2 3.96Å; L621-V718 HydrophobicContact CG-CG1 4.17Å; F622-V718 HydrophobicContact CB-CG1 4.09Å; L625-V718 HydrophobicContact CD1-CB 4.14Å; L625-V718 HydrophobicContact CD1-CG1 4.32Å; L625-V718 HydrophobicContact CD1-CG2 3.77Å; L714-V718 WeakPolarHBondContact O-CG2 3.44Å; L714-V718 PolarHBondContact O-N 3.03Å; A716-V718 PolarHBondContact O-N 3.01Å |
| 719 | R | 90.1 | Very high | 91.7 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | trans | -73.4 | 139.7 | 177.4 | 175.9 | 177.4 | 161.9 | 113.3 | 11.2 | 111.1 | F622 A716 D721 Y726 D727 | F622-R719 HydrophobicContact CE2-CB 4.22Å; A716-R719 WeakPolarHBondContact O-CB 3.47Å; A716-R719 PolarHBondContact O-N 3.49Å; A716-R719 VanDerWaalsContact O-N 3.16Å; R719-D721 IonicContact CZ-OD1 2.92Å; R719-D721 IonicContact NE-OD1 2.7Å; R719-D721 PolarHBondContact NE-OD1 2.81Å; R719-D721 IonicContact NH2-OD1 3.47Å; R719-D721 PolarHBondContact NH2-OD1 2.97Å; R719-Y726 HydrophobicContact CB-CD1 4.45Å; R719-Y726 HydrophobicContact CB-CG 4.39Å; R719-Y726 HydrophobicContact CG-CD1 4.45Å; R719-Y726 HydrophobicContact CG-CD2 4.13Å; R719-Y726 HydrophobicContact CG-CG 3.92Å; R719-D727 IonicContact CZ-OD1 3.65Å; R719-D727 IonicContact CZ-OD2 2.69Å; R719-D727 VanDerWaalsContact NH1-CG 3.28Å; R719-D727 IonicContact NH1-OD1 3.41Å; R719-D727 PolarHBondContact NH1-OD1 3.06Å; R719-D727 IonicContact NH1-OD2 2.73Å; R719-D727 PolarHBondContact NH1-OD2 3.22Å; R719-D727 IonicContact NH2-OD1 2.79Å; R719-D727 IonicContact NH2-OD2 3.21Å; R719-D727 PolarHBondContact NH2-OD2 2.76Å | ||
| 720 | D | 85 | Confident | 91.6 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | trans | -110.5 | 111.8 | 166.4 | -162.1 | -41.8 | 0 | 0 | 0 | 109.1 | R618 Q722 D723 Y726 | R618-D720 IonicContact CZ-OD2 3.28Å; R618-D720 IonicContact NH1-OD2 2.69Å; R618-D720 PolarHBondContact NH1-OD2 2.73Å; D720-Q722 PolarHBondContact O-N 3.45Å; D720-Q722 WeakPolarHBondContact OD1-CB 3.48Å; D720-Q722 PolarHBondContact OD1-N 3.21Å; D720-D723 HydrophobicContact CB-CB 4.5Å; D720-D723 PolarHBondContact O-N 3.45Å; D720-D723 VanDerWaalsContact O-N 3.1Å; D720-Y726 HydrophobicContact CB-CE2 3.75Å; D720-Y726 VanDerWaalsContact O-CD2 3.29Å; D720-Y726 WeakPolarHBondContact O-CD2 3.33Å | ||
| 721 | D | 81.9 | Confident | 91.6 | Very high | 126 Ų | 126 | 54.4 Ų | 54.4 | 67% | 0.674 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.6 | -178.4 | -78 | -51.1 | 0 | 0 | 0 | 114 | R719 D723 | R719-D721 IonicContact CZ-OD1 2.92Å; R719-D721 IonicContact NE-OD1 2.7Å; R719-D721 PolarHBondContact NE-OD1 2.81Å; R719-D721 IonicContact NH2-OD1 3.47Å; R719-D721 PolarHBondContact NH2-OD1 2.97Å; D721-D723 VanDerWaalsContact C-N 3.35Å |
| 722 | Q | 83 | Confident | 91.6 | Very high | 192 Ų | 192 | 54.4 Ų | 54.4 | 90% | 0.897 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -12.4 | 173.1 | -55.1 | -170.4 | 22.2 | 0 | 0 | 112.7 | D720 | D720-Q722 PolarHBondContact O-N 3.45Å; D720-Q722 WeakPolarHBondContact OD1-CB 3.48Å; D720-Q722 PolarHBondContact OD1-N 3.21Å |
| 723 | D | 84.5 | Confident | 91.4 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | trans | -110.1 | 113.6 | 179.7 | -177.5 | 14.9 | 0 | 0 | 0 | 111.5 | R619 D720 D721 F725 Y726 Y762 | R619-D723 IonicContact CZ-OD2 2.98Å; R619-D723 IonicContact NE-OD2 3.87Å; R619-D723 PolarHBondContact NE-OD2 3.37Å; R619-D723 IonicContact NH2-OD1 2.72Å; R619-D723 PolarHBondContact NH2-OD1 3.21Å; R619-D723 IonicContact NH2-OD2 2.67Å; R619-D723 PolarHBondContact NH2-OD2 2.93Å; D720-D723 HydrophobicContact CB-CB 4.5Å; D720-D723 PolarHBondContact O-N 3.45Å; D720-D723 VanDerWaalsContact O-N 3.1Å; D721-D723 VanDerWaalsContact C-N 3.35Å; D723-F725 VanDerWaalsContact CG-CB 3.46Å; D723-F725 PolarHBondContact O-N 2.85Å; D723-F725 WeakPolarHBondContact OD1-CB 3.23Å; D723-F725 PolarHBondContact OD1-N 3.35Å; D723-F725 VanDerWaalsContact OD2-CB 3.27Å; D723-F725 WeakPolarHBondContact OD2-CB 3.32Å; D723-Y726 HydrophobicContact CB-CD2 4.35Å; D723-Y726 HydrophobicContact CB-CE2 4.05Å; D723-Y726 WeakPolarHBondContact O-CD2 3.46Å; D723-Y762 PolarHBondContact OD1-OH 3.38Å | ||
| 724 | G | 90.2 | Very high | 91.3 | Very high | 43 Ų | 43 | 54.7 Ų | 54.7 | 44% | 0.443 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -7.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y726 D727 W728 Y762 | G724-Y726 VanDerWaalsContact C-N 3.33Å; G724-Y726 PolarHBondContact O-N 3.03Å; G724-D727 PolarHBondContact O-N 2.9Å; G724-W728 WeakPolarHBondContact O-CB 3.28Å; G724-W728 PolarHBondContact O-N 3.2Å; G724-Y762 VanDerWaalsContact C-OH 3.31Å; G724-Y762 WeakPolarHBondContact CA-OH 3.27Å; G724-Y762 PolarHBondContact N-OH 3.28Å |
| 725 | F | 93.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.6 | -47.3 | 178.2 | 178.6 | -98.8 | 0 | 0 | 0 | 112.7 | R619 D723 W728 F729 Y762 A765 | R619-F725 HydrophobicContact CB-CD1 4.09Å; R619-F725 HydrophobicContact CB-CE1 3.69Å; R619-F725 HydrophobicContact CB-CZ 3.98Å; R619-F725 HydrophobicContact CG-CD1 3.62Å; R619-F725 HydrophobicContact CG-CD2 4.42Å; R619-F725 HydrophobicContact CG-CE1 3.77Å; R619-F725 HydrophobicContact CG-CG 3.96Å; R619-F725 HydrophobicContact CG-CZ 4.24Å; D723-F725 VanDerWaalsContact CG-CB 3.46Å; D723-F725 PolarHBondContact O-N 2.85Å; D723-F725 WeakPolarHBondContact OD1-CB 3.23Å; D723-F725 PolarHBondContact OD1-N 3.35Å; D723-F725 VanDerWaalsContact OD2-CB 3.27Å; D723-F725 WeakPolarHBondContact OD2-CB 3.32Å; F725-W728 HydrophobicContact CD2-CE3 4.45Å; F725-W728 HydrophobicContact CE2-CE3 4.46Å; F725-W728 HydrophobicContact CE2-CZ3 4.33Å; F725-W728 PolarHBondContact O-N 3.48Å; F725-F729 HydrophobicContact CE1-CB 4.42Å; F725-F729 HydrophobicContact CZ-CD2 4.34Å; F725-F729 VanDerWaalsContact O-CB 3.26Å; F725-F729 WeakPolarHBondContact O-CB 3.5Å; F725-F729 PolarHBondContact O-N 3.24Å; F725-Y762 HydrophobicContact CB-CD1 4.35Å; F725-Y762 HydrophobicContact CB-CE1 3.85Å; F725-Y762 HydrophobicContact CB-CE2 4.35Å; F725-Y762 AromaticContact CD2-CD1 3.71Å; F725-Y762 HydrophobicContact CD2-CD1 3.71Å; F725-Y762 HydrophobicContact CD2-CD2 4.37Å; F725-Y762 HydrophobicContact CD2-CE1 4.09Å; F725-Y762 AromaticContact CD2-CG 3.86Å; F725-Y762 HydrophobicContact CD2-CG 3.86Å; F725-Y762 HydrophobicContact CG-CE1 4.49Å; F725-Y762 VanDerWaalsContact N-CZ 3.34Å; F725-Y762 PolarHBondContact N-OH 2.79Å; F725-A765 HydrophobicContact CE2-CB 3.74Å; F725-A765 HydrophobicContact CZ-CB 4.06Å |
| 726 | Y | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68 | -42.1 | -171.7 | -58.3 | -80.1 | 0 | 0 | 0 | 111.8 | F622 R719 D720 D723 G724 F729 L730 | F622-Y726 HydrophobicContact CB-CD1 4Å; F622-Y726 HydrophobicContact CB-CE1 3.68Å; F622-Y726 AromaticContact CD1-CD1 3.7Å; F622-Y726 HydrophobicContact CD1-CD1 3.7Å; F622-Y726 HydrophobicContact CD1-CE1 4.27Å; F622-Y726 AromaticContact CD2-CD1 3.5Å; F622-Y726 HydrophobicContact CD2-CD1 3.5Å; F622-Y726 VanDerWaalsContact CD2-CD1 3.5Å; F622-Y726 AromaticContact CD2-CE1 3.83Å; F622-Y726 HydrophobicContact CD2-CE1 3.83Å; F622-Y726 AromaticContact CE1-CD1 3.94Å; F622-Y726 HydrophobicContact CE1-CD1 3.94Å; F622-Y726 AromaticContact CE2-CD1 3.74Å; F622-Y726 HydrophobicContact CE2-CD1 3.74Å; F622-Y726 HydrophobicContact CE2-CE1 4.49Å; F622-Y726 AromaticContact CG-CD1 3.46Å; F622-Y726 HydrophobicContact CG-CD1 3.46Å; F622-Y726 VanDerWaalsContact CG-CD1 3.46Å; F622-Y726 AromaticContact CG-CE1 3.69Å; F622-Y726 HydrophobicContact CG-CE1 3.69Å; F622-Y726 AromaticContact CZ-CD1 3.96Å; F622-Y726 HydrophobicContact CZ-CD1 3.96Å; R719-Y726 HydrophobicContact CB-CD1 4.45Å; R719-Y726 HydrophobicContact CB-CG 4.39Å; R719-Y726 HydrophobicContact CG-CD1 4.45Å; R719-Y726 HydrophobicContact CG-CD2 4.13Å; R719-Y726 HydrophobicContact CG-CG 3.92Å; D720-Y726 HydrophobicContact CB-CE2 3.75Å; D720-Y726 VanDerWaalsContact O-CD2 3.29Å; D720-Y726 WeakPolarHBondContact O-CD2 3.33Å; D723-Y726 HydrophobicContact CB-CD2 4.35Å; D723-Y726 HydrophobicContact CB-CE2 4.05Å; D723-Y726 WeakPolarHBondContact O-CD2 3.46Å; G724-Y726 VanDerWaalsContact C-N 3.33Å; G724-Y726 PolarHBondContact O-N 3.03Å; Y726-F729 PolarHBondContact O-N 3.47Å; Y726-L730 WeakPolarHBondContact O-CG 3.35Å; Y726-L730 PolarHBondContact O-N 3.19Å |
| 727 | D | 93.5 | Very high | 90.8 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 33% | 0.326 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.7 | -32.2 | 175.5 | -77.5 | -42.6 | 0 | 0 | 0 | 112.8 | R719 G724 K731 | R719-D727 IonicContact CZ-OD1 3.65Å; R719-D727 IonicContact CZ-OD2 2.69Å; R719-D727 VanDerWaalsContact NH1-CG 3.28Å; R719-D727 IonicContact NH1-OD1 3.41Å; R719-D727 PolarHBondContact NH1-OD1 3.06Å; R719-D727 IonicContact NH1-OD2 2.73Å; R719-D727 PolarHBondContact NH1-OD2 3.22Å; R719-D727 IonicContact NH2-OD1 2.79Å; R719-D727 IonicContact NH2-OD2 3.21Å; R719-D727 PolarHBondContact NH2-OD2 2.76Å; G724-D727 PolarHBondContact O-N 2.9Å; D727-K731 WeakPolarHBondContact O-CB 3.26Å; D727-K731 WeakPolarHBondContact O-CD 3.14Å; D727-K731 WeakPolarHBondContact O-CG 3.41Å; D727-K731 PolarHBondContact O-N 3.43Å |
| 728 | W | 95.5 | Very high | 90.6 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 5% | 0.053 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 170.4 | 170.7 | 88.9 | 0 | 0 | 0 | 111.4 | G724 F725 K731 A732 L753 A757 Y762 A765 P767 F768 L771 | G724-W728 WeakPolarHBondContact O-CB 3.28Å; G724-W728 PolarHBondContact O-N 3.2Å; F725-W728 HydrophobicContact CD2-CE3 4.45Å; F725-W728 HydrophobicContact CE2-CE3 4.46Å; F725-W728 HydrophobicContact CE2-CZ3 4.33Å; F725-W728 PolarHBondContact O-N 3.48Å; W728-K731 PolarHBondContact O-N 3.4Å; W728-A732 HydrophobicContact CZ2-CB 4.35Å; W728-A732 WeakPolarHBondContact O-CB 3.23Å; W728-A732 PolarHBondContact O-N 2.87Å; W728-L753 PolarHBondContact NE1-O 3.15Å; W728-A757 HydrophobicContact CH2-CB 4.35Å; W728-A757 HydrophobicContact CZ2-CB 3.55Å; W728-Y762 HydrophobicContact CB-CD2 4.23Å; W728-Y762 HydrophobicContact CB-CE2 4.23Å; W728-Y762 AromaticContact CD2-CD2 3.99Å; W728-Y762 HydrophobicContact CD2-CD2 3.99Å; W728-Y762 HydrophobicContact CE3-CD2 4.14Å; W728-Y762 AromaticContact CG-CD2 4Å; W728-Y762 HydrophobicContact CG-CD2 4Å; W728-Y762 HydrophobicContact CG-CE2 4.45Å; W728-A765 HydrophobicContact CH2-CB 4.11Å; W728-A765 HydrophobicContact CZ3-CB 3.79Å; W728-P767 HydrophobicContact CH2-CB 4.06Å; W728-P767 HydrophobicContact CH2-CG 4.39Å; W728-P767 HydrophobicContact CZ3-CG 4.42Å; W728-F768 HydrophobicContact CH2-CB 4.15Å; W728-F768 HydrophobicContact CZ2-CB 4.43Å; W728-L771 HydrophobicContact CZ2-CD1 4.17Å |
| 729 | F | 94.6 | Very high | 90.1 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | -178.3 | 175.3 | -81.7 | 0 | 0 | 0 | 111.3 | F622 C623 N626 F725 Y726 K731 A732 D733 P767 | F622-F729 HydrophobicContact CD1-CD1 4.09Å; F622-F729 HydrophobicContact CD1-CE1 4.41Å; F622-F729 AromaticContact CE1-CD1 3.79Å; F622-F729 HydrophobicContact CE1-CD1 3.79Å; F622-F729 HydrophobicContact CE1-CE1 4.31Å; F622-F729 HydrophobicContact CE1-CG 4.49Å; C623-F729 HydrophobicContact CB-CE2 3.78Å; C623-F729 HydrophobicContact CB-CZ 4.03Å; C623-F729 WeakPolarHBondContact SG-CE2 3.38Å; N626-F729 HydrophobicContact CB-CE1 3.99Å; F725-F729 HydrophobicContact CE1-CB 4.42Å; F725-F729 HydrophobicContact CZ-CD2 4.34Å; F725-F729 VanDerWaalsContact O-CB 3.26Å; F725-F729 WeakPolarHBondContact O-CB 3.5Å; F725-F729 PolarHBondContact O-N 3.24Å; Y726-F729 PolarHBondContact O-N 3.47Å; F729-K731 PolarHBondContact O-N 2.84Å; F729-A732 PolarHBondContact O-N 2.7Å; F729-D733 HydrophobicContact CE1-CB 4.33Å; F729-D733 WeakPolarHBondContact O-CB 3.3Å; F729-D733 PolarHBondContact O-N 3.02Å; F729-P767 HydrophobicContact CD2-CG 3.47Å; F729-P767 VanDerWaalsContact CD2-CG 3.47Å; F729-P767 HydrophobicContact CE2-CG 3.44Å; F729-P767 VanDerWaalsContact CE2-CG 3.44Å; F729-P767 HydrophobicContact CG-CG 4.33Å; F729-P767 HydrophobicContact CZ-CG 4.29Å |
| 730 | L | 93.7 | Very high | 89.5 | Confident | 55 Ų | 55 | 59 Ų | 59 | 29% | 0.288 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 179.3 | -71.6 | 174.9 | 0 | 0 | 0 | 111.5 | F622 Y726 A732 D733 E734 | F622-L730 HydrophobicContact CE1-CD2 4.16Å; F622-L730 HydrophobicContact CE1-CG 4.14Å; F622-L730 HydrophobicContact CZ-CD1 4.12Å; F622-L730 HydrophobicContact CZ-CD2 4.17Å; F622-L730 HydrophobicContact CZ-CG 4.08Å; Y726-L730 WeakPolarHBondContact O-CG 3.35Å; Y726-L730 PolarHBondContact O-N 3.19Å; L730-A732 VanDerWaalsContact C-N 3.34Å; L730-A732 PolarHBondContact O-N 2.76Å; L730-D733 PolarHBondContact O-N 3.01Å; L730-E734 VanDerWaalsContact O-CB 3.29Å; L730-E734 WeakPolarHBondContact O-CB 3.27Å; L730-E734 PolarHBondContact O-N 3.43Å |
| 731 | K | 94.7 | Very high | 89.3 | Confident | 119 Ų | 119 | 62.6 Ų | 62.6 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 175.2 | -70.5 | 165.7 | -166.3 | 159.6 | 0 | 112.1 | D727 W728 F729 L735 L753 | D727-K731 WeakPolarHBondContact O-CB 3.26Å; D727-K731 WeakPolarHBondContact O-CD 3.14Å; D727-K731 WeakPolarHBondContact O-CG 3.41Å; D727-K731 PolarHBondContact O-N 3.43Å; W728-K731 PolarHBondContact O-N 3.4Å; F729-K731 PolarHBondContact O-N 2.84Å; K731-L735 WeakPolarHBondContact O-CB 3.28Å; K731-L735 PolarHBondContact O-N 2.9Å; K731-L753 HydrophobicContact CB-CD2 4.42Å |
| 732 | A | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.6 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W728 F729 L730 L735 L736 L753 P767 L771 | W728-A732 HydrophobicContact CZ2-CB 4.35Å; W728-A732 WeakPolarHBondContact O-CB 3.23Å; W728-A732 PolarHBondContact O-N 2.87Å; F729-A732 PolarHBondContact O-N 2.7Å; L730-A732 VanDerWaalsContact C-N 3.34Å; L730-A732 PolarHBondContact O-N 2.76Å; A732-L735 PolarHBondContact O-N 3.5Å; A732-L736 WeakPolarHBondContact O-CB 3.47Å; A732-L736 WeakPolarHBondContact O-CD1 3.38Å; A732-L736 WeakPolarHBondContact O-CG 3.25Å; A732-L736 PolarHBondContact O-N 2.73Å; A732-L753 HydrophobicContact CB-CD1 4.07Å; A732-P767 HydrophobicContact CB-CB 3.63Å; A732-P767 HydrophobicContact CB-CG 4.36Å; A732-L771 HydrophobicContact CB-CD1 3.9Å |
| 733 | D | 91.9 | Very high | 89.2 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 17% | 0.171 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.5 | 178.3 | 47.4 | 0 | 0 | 0 | 111.7 | N626 F729 L730 K737 | N626-D733 PolarHBondContact ND2-OD2 3.27Å; F729-D733 HydrophobicContact CE1-CB 4.33Å; F729-D733 WeakPolarHBondContact O-CB 3.3Å; F729-D733 PolarHBondContact O-N 3.02Å; L730-D733 PolarHBondContact O-N 3.01Å; D733-K737 VanDerWaalsContact CG-NZ 3.33Å; D733-K737 WeakPolarHBondContact O-CB 3.43Å; D733-K737 WeakPolarHBondContact O-CD 3.41Å; D733-K737 VanDerWaalsContact O-CG 3.22Å; D733-K737 WeakPolarHBondContact O-CG 3.5Å; D733-K737 PolarHBondContact O-N 3.23Å; D733-K737 WeakPolarHBondContact OD1-CE 3.48Å; D733-K737 IonicContact OD1-NZ 3.82Å; D733-K737 PolarHBondContact OD1-NZ 2.69Å; D733-K737 WeakPolarHBondContact OD2-CE 3.48Å; D733-K737 IonicContact OD2-NZ 2.74Å; D733-K737 PolarHBondContact OD2-NZ 2.92Å |
| 734 | E | 91.6 | Very high | 89.1 | Confident | 137 Ų | 137 | 60.7 Ų | 60.7 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 173.9 | -174.6 | 173.4 | -158.7 | 0 | 0 | 112.3 | L730 L736 K737 R738 | L730-E734 VanDerWaalsContact O-CB 3.29Å; L730-E734 WeakPolarHBondContact O-CB 3.27Å; L730-E734 PolarHBondContact O-N 3.43Å; E734-L736 PolarHBondContact O-N 3.39Å; E734-K737 PolarHBondContact O-N 3.44Å; E734-R738 WeakPolarHBondContact O-CB 3.23Å; E734-R738 PolarHBondContact O-N 3.27Å |
| 735 | L | 93.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.3 | -165.9 | 77.3 | 0 | 0 | 0 | 111.3 | K731 A732 K737 R738 G739 L745 E749 V750 L753 L771 | K731-L735 WeakPolarHBondContact O-CB 3.28Å; K731-L735 PolarHBondContact O-N 2.9Å; A732-L735 PolarHBondContact O-N 3.5Å; L735-K737 VanDerWaalsContact C-N 3.34Å; L735-K737 PolarHBondContact O-N 3.24Å; L735-R738 WeakPolarHBondContact O-CB 3.18Å; L735-R738 PolarHBondContact O-N 3.41Å; L735-R738 VanDerWaalsContact O-N 3.16Å; L735-G739 PolarHBondContact O-N 3.17Å; L735-L745 HydrophobicContact CD1-CD2 3.55Å; L735-L745 HydrophobicContact CG-CD1 4.11Å; L735-L745 HydrophobicContact CG-CD2 3.76Å; L735-L745 WeakPolarHBondContact O-CD1 3.42Å; L735-L745 WeakPolarHBondContact O-CD2 3.39Å; L735-E749 HydrophobicContact CD1-CB 3.97Å; L735-E749 HydrophobicContact CD1-CG 4.36Å; L735-E749 HydrophobicContact CD2-CB 3.89Å; L735-V750 HydrophobicContact CD2-CG2 3.99Å; L735-L753 HydrophobicContact CB-CD1 4.3Å; L735-L753 HydrophobicContact CD2-CD1 3.72Å; L735-L771 HydrophobicContact CD2-CD2 4.24Å |
| 736 | L | 90.6 | Very high | 89 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 177.4 | -71.6 | 167.6 | 0 | 0 | 0 | 112 | A732 E734 G739 Y740 P767 K770 L771 | A732-L736 WeakPolarHBondContact O-CB 3.47Å; A732-L736 WeakPolarHBondContact O-CD1 3.38Å; A732-L736 WeakPolarHBondContact O-CG 3.25Å; A732-L736 PolarHBondContact O-N 2.73Å; E734-L736 PolarHBondContact O-N 3.39Å; L736-G739 PolarHBondContact O-N 3.26Å; L736-Y740 PolarHBondContact O-N 3.09Å; L736-P767 HydrophobicContact CD1-CB 4.15Å; L736-K770 HydrophobicContact CD1-CB 3.65Å; L736-K770 HydrophobicContact CD1-CD 4.1Å; L736-K770 HydrophobicContact CD2-CB 4.09Å; L736-L771 HydrophobicContact CD1-CG 4.34Å; L736-L771 HydrophobicContact CD2-CD2 4.04Å; L736-L771 HydrophobicContact CD2-CG 4.41Å; L736-L771 HydrophobicContact CG-CD2 4.09Å; L736-L771 HydrophobicContact CG-CG 4.44Å |
| 737 | K | 87.4 | Confident | 88.9 | Confident | 74 Ų | 74 | 62.7 Ų | 62.7 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 172.6 | -74.5 | 164.1 | 176.4 | 169.1 | 0 | 112.1 | N630 D733 E734 L735 Y740 N741 | N630-K737 PolarHBondContact ND2-NZ 2.7Å; D733-K737 VanDerWaalsContact CG-NZ 3.33Å; D733-K737 WeakPolarHBondContact O-CB 3.43Å; D733-K737 WeakPolarHBondContact O-CD 3.41Å; D733-K737 VanDerWaalsContact O-CG 3.22Å; D733-K737 WeakPolarHBondContact O-CG 3.5Å; D733-K737 PolarHBondContact O-N 3.23Å; D733-K737 WeakPolarHBondContact OD1-CE 3.48Å; D733-K737 IonicContact OD1-NZ 3.82Å; D733-K737 PolarHBondContact OD1-NZ 2.69Å; D733-K737 WeakPolarHBondContact OD2-CE 3.48Å; D733-K737 IonicContact OD2-NZ 2.74Å; D733-K737 PolarHBondContact OD2-NZ 2.92Å; E734-K737 PolarHBondContact O-N 3.44Å; L735-K737 VanDerWaalsContact C-N 3.34Å; L735-K737 PolarHBondContact O-N 3.24Å; K737-Y740 PolarHBondContact O-N 2.92Å; K737-N741 WeakPolarHBondContact O-CB 3.47Å; K737-N741 PolarHBondContact O-N 3.19Å; K737-N741 PolarHBondContact O-ND2 3.2Å; K737-N741 VanDerWaalsContact O-ND2 3.1Å |
| 738 | R | 87.9 | Confident | 88.9 | Confident | 72 Ų | 72 | 64.5 Ų | 64.5 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.4 | -155.6 | -179.1 | 84.3 | -145.4 | 1 | 110.9 | E734 L735 Y740 N741 Q742 R743 D744 L745 E749 | E734-R738 WeakPolarHBondContact O-CB 3.23Å; E734-R738 PolarHBondContact O-N 3.27Å; L735-R738 WeakPolarHBondContact O-CB 3.18Å; L735-R738 PolarHBondContact O-N 3.41Å; L735-R738 VanDerWaalsContact O-N 3.16Å; R738-Y740 PolarHBondContact O-N 2.92Å; R738-N741 PolarHBondContact O-N 3.29Å; R738-Q742 HydrophobicContact CG-CB 4.36Å; R738-Q742 HydrophobicContact CG-CG 4.46Å; R738-Q742 WeakPolarHBondContact O-CA 3.37Å; R738-Q742 WeakPolarHBondContact O-CB 3.22Å; R738-Q742 PolarHBondContact O-N 3.48Å; R738-R743 PolarHBondContact O-N 3.37Å; R738-D744 IonicContact CZ-OD1 3.56Å; R738-D744 IonicContact CZ-OD2 2.66Å; R738-D744 IonicContact NE-OD1 3.77Å; R738-D744 PolarHBondContact NE-OD1 3.33Å; R738-D744 IonicContact NE-OD2 3.2Å; R738-D744 IonicContact NH2-OD1 3.99Å; R738-D744 IonicContact NH2-OD2 2.69Å; R738-L745 HydrophobicContact CB-CD2 4.12Å; R738-E749 IonicContact CZ-OE1 3.46Å; R738-E749 IonicContact NH1-OE1 2.81Å; R738-E749 PolarHBondContact NH1-OE1 2.71Å; R738-E749 IonicContact NH2-OE1 2.73Å; R738-E749 PolarHBondContact NH2-OE1 2.92Å; R738-E749 IonicContact NH2-OE2 2.74Å; R738-E749 PolarHBondContact NH2-OE2 3.4Å |
| 739 | G | 81.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L735 L736 R743 | L735-G739 PolarHBondContact O-N 3.17Å; L736-G739 PolarHBondContact O-N 3.26Å; G739-R743 VanDerWaalsContact O-CA 3.27Å; G739-R743 WeakPolarHBondContact O-CA 3.34Å; G739-R743 WeakPolarHBondContact O-CG 3.37Å; G739-R743 PolarHBondContact O-N 2.7Å; G739-R743 VanDerWaalsContact O-N 3.15Å |
| 740 | Y | 78.5 | Confident | 88.9 | Confident | 190 Ų | 190 | 66.1 Ų | 66.1 | 75% | 0.745 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.4 | -42.9 | 177.1 | -171.8 | -96.8 | 0 | 0 | 0 | 112.8 | L736 K737 R738 | L736-Y740 PolarHBondContact O-N 3.09Å; K737-Y740 PolarHBondContact O-N 2.92Å; R738-Y740 PolarHBondContact O-N 2.92Å |
| 741 | N | 80.7 | Confident | 89 | Confident | 118 Ų | 118 | 64.9 Ų | 64.9 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -86.2 | -37.2 | -172.8 | -67.1 | -34.9 | 0 | 0 | 0 | 114.3 | K737 R738 | K737-N741 WeakPolarHBondContact O-CB 3.47Å; K737-N741 PolarHBondContact O-N 3.19Å; K737-N741 PolarHBondContact O-ND2 3.2Å; K737-N741 VanDerWaalsContact O-ND2 3.1Å; R738-N741 PolarHBondContact O-N 3.29Å |
| 742 | Q | 81.9 | Confident | 89 | Confident | 131 Ų | 131 | 65.8 Ų | 65.8 | 61% | 0.612 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -116.7 | -16.6 | -170.1 | -60.3 | 178.8 | -5.2 | 0 | 0 | 113.2 | R738 D744 | R738-Q742 HydrophobicContact CG-CB 4.36Å; R738-Q742 HydrophobicContact CG-CG 4.46Å; R738-Q742 WeakPolarHBondContact O-CA 3.37Å; R738-Q742 WeakPolarHBondContact O-CB 3.22Å; R738-Q742 PolarHBondContact O-N 3.48Å; Q742-D744 HydrophobicContact CB-CB 4.41Å; Q742-D744 PolarHBondContact O-N 2.94Å |
| 743 | R | 80.3 | Confident | 89.1 | Confident | 131 Ų | 131 | 67 Ų | 67 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | trans | 53.2 | 36.2 | 176.3 | -58.2 | -174.2 | -169.3 | 165.6 | 3.5 | 114.2 | R738 G739 D824 C826 P827 | R738-R743 PolarHBondContact O-N 3.37Å; G739-R743 VanDerWaalsContact O-CA 3.27Å; G739-R743 WeakPolarHBondContact O-CA 3.34Å; G739-R743 WeakPolarHBondContact O-CG 3.37Å; G739-R743 PolarHBondContact O-N 2.7Å; G739-R743 VanDerWaalsContact O-N 3.15Å; R743-D824 WeakPolarHBondContact CD-O 3.46Å; R743-D824 PolarHBondContact NH1-O 2.89Å; R743-C826 WeakPolarHBondContact CB-O 3.38Å; R743-P827 CarbonylContact C-O 3.57Å | ||
| 744 | D | 82.6 | Confident | 89.4 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | trans | -114.7 | 4 | -166.8 | 92.1 | -48.7 | 0 | 0 | 0 | 113.9 | R738 Q742 K829 | R738-D744 IonicContact CZ-OD1 3.56Å; R738-D744 IonicContact CZ-OD2 2.66Å; R738-D744 IonicContact NE-OD1 3.77Å; R738-D744 PolarHBondContact NE-OD1 3.33Å; R738-D744 IonicContact NE-OD2 3.2Å; R738-D744 IonicContact NH2-OD1 3.99Å; R738-D744 IonicContact NH2-OD2 2.69Å; Q742-D744 HydrophobicContact CB-CB 4.41Å; Q742-D744 PolarHBondContact O-N 2.94Å; D744-K829 VanDerWaalsContact O-CD 3.29Å; D744-K829 WeakPolarHBondContact O-CD 3.24Å; D744-K829 WeakPolarHBondContact O-CE 3.46Å; D744-K829 PolarHBondContact O-NZ 3.2Å; D744-K829 IonicContact OD2-NZ 3.37Å | ||
| 745 | L | 89.5 | Confident | 89.6 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 146.5 | -171.2 | -59.5 | -173.8 | 0 | 0 | 0 | 112.8 | L735 R738 V750 P827 C828 K829 | L735-L745 HydrophobicContact CD1-CD2 3.55Å; L735-L745 HydrophobicContact CG-CD1 4.11Å; L735-L745 HydrophobicContact CG-CD2 3.76Å; L735-L745 WeakPolarHBondContact O-CD1 3.42Å; L735-L745 WeakPolarHBondContact O-CD2 3.39Å; R738-L745 HydrophobicContact CB-CD2 4.12Å; L745-V750 HydrophobicContact CD1-CG2 4.23Å; L745-P827 WeakPolarHBondContact CB-O 3.22Å; L745-P827 WeakPolarHBondContact CG-O 3.04Å; L745-P827 PolarHBondContact N-O 2.75Å; L745-C828 HydrophobicContact CB-CB 4.47Å; L745-C828 CarbonylContact O-C 3.51Å; L745-C828 VanDerWaalsContact O-CA 3.28Å; L745-C828 WeakPolarHBondContact O-CA 3.35Å; L745-K829 PolarHBondContact O-N 3.46Å |
| 746 | T | 90.9 | Very high | 89.7 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | trans | -89.8 | 145 | 163.7 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | D748 E749 V750 | T746-D748 PolarHBondContact O-N 3.33Å; T746-E749 WeakPolarHBondContact CB-OE2 3.19Å; T746-E749 PolarHBondContact N-OE2 2.97Å; T746-E749 PolarHBondContact O-N 3.2Å; T746-E749 VanDerWaalsContact OG1-CG 3.23Å; T746-E749 WeakPolarHBondContact OG1-CG 3.47Å; T746-E749 PolarHBondContact OG1-N 3.39Å; T746-E749 PolarHBondContact OG1-OE2 2.94Å; T746-V750 PolarHBondContact O-N 3.2Å | ||
| 747 | V | 91.7 | Very high | 89.9 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -28.5 | 172.1 | 67 | 0 | 0 | 0 | 0 | 111.7 | V750 A751 K775 H778 | V747-V750 PolarHBondContact O-N 3.29Å; V747-A751 VanDerWaalsContact O-CB 3.23Å; V747-A751 WeakPolarHBondContact O-CB 3.43Å; V747-A751 PolarHBondContact O-N 3.35Å; V747-K775 HydrophobicContact CG2-CG 4.1Å; V747-H778 WeakPolarHBondContact CG2-ND1 3.44Å |
| 748 | D | 93.8 | Very high | 90.2 | Very high | 100 Ų | 100 | 62.4 Ų | 62.4 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 176.1 | -77 | -11.4 | 0 | 0 | 0 | 113.3 | T746 K752 | T746-D748 PolarHBondContact O-N 3.33Å; D748-K752 WeakPolarHBondContact O-CB 3.22Å; D748-K752 VanDerWaalsContact O-CD 3.24Å; D748-K752 WeakPolarHBondContact O-CD 3.18Å; D748-K752 WeakPolarHBondContact O-CG 3.47Å; D748-K752 PolarHBondContact O-N 2.82Å |
| 749 | E | 94.5 | Very high | 90.5 | Very high | 54 Ų | 54 | 65.7 Ų | 65.7 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 173.3 | -75.1 | 161.4 | 112.9 | 0 | 0 | 110.8 | L735 R738 T746 K752 L753 | L735-E749 HydrophobicContact CD1-CB 3.97Å; L735-E749 HydrophobicContact CD1-CG 4.36Å; L735-E749 HydrophobicContact CD2-CB 3.89Å; R738-E749 IonicContact CZ-OE1 3.46Å; R738-E749 IonicContact NH1-OE1 2.81Å; R738-E749 PolarHBondContact NH1-OE1 2.71Å; R738-E749 IonicContact NH2-OE1 2.73Å; R738-E749 PolarHBondContact NH2-OE1 2.92Å; R738-E749 IonicContact NH2-OE2 2.74Å; R738-E749 PolarHBondContact NH2-OE2 3.4Å; T746-E749 WeakPolarHBondContact CB-OE2 3.19Å; T746-E749 PolarHBondContact N-OE2 2.97Å; T746-E749 PolarHBondContact O-N 3.2Å; T746-E749 VanDerWaalsContact OG1-CG 3.23Å; T746-E749 WeakPolarHBondContact OG1-CG 3.47Å; T746-E749 PolarHBondContact OG1-N 3.39Å; T746-E749 PolarHBondContact OG1-OE2 2.94Å; E749-K752 PolarHBondContact O-N 3.19Å; E749-L753 PolarHBondContact O-N 2.7Å |
| 750 | V | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 179 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | L735 L745 T746 V747 K752 L753 I754 L771 K775 | L735-V750 HydrophobicContact CD2-CG2 3.99Å; L745-V750 HydrophobicContact CD1-CG2 4.23Å; T746-V750 PolarHBondContact O-N 3.2Å; V747-V750 PolarHBondContact O-N 3.29Å; V750-K752 PolarHBondContact O-N 3.42Å; V750-L753 PolarHBondContact O-N 2.72Å; V750-I754 HydrophobicContact CG1-CD1 3.95Å; V750-I754 WeakPolarHBondContact O-CG1 3.06Å; V750-I754 PolarHBondContact O-N 2.75Å; V750-L771 HydrophobicContact CG1-CB 4.19Å; V750-L771 HydrophobicContact CG1-CD2 4Å; V750-L771 WeakPolarHBondContact CG1-O 3.35Å; V750-L771 HydrophobicContact CG2-CD2 4.49Å; V750-K775 HydrophobicContact CG1-CB 4.08Å |
| 751 | A | 95.9 | Very high | 91.4 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V747 I754 A755 | V747-A751 VanDerWaalsContact O-CB 3.23Å; V747-A751 WeakPolarHBondContact O-CB 3.43Å; V747-A751 PolarHBondContact O-N 3.35Å; A751-I754 PolarHBondContact O-N 3.4Å; A751-A755 WeakPolarHBondContact O-CB 3.12Å; A751-A755 PolarHBondContact O-N 3.47Å |
| 752 | K | 96.6 | Very high | 91.8 | Very high | 137 Ų | 137 | 58.8 Ų | 58.8 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 173.8 | -75.1 | 161.4 | -167.9 | 162.8 | 0 | 111.7 | D748 E749 V750 A756 | D748-K752 WeakPolarHBondContact O-CB 3.22Å; D748-K752 VanDerWaalsContact O-CD 3.24Å; D748-K752 WeakPolarHBondContact O-CD 3.18Å; D748-K752 WeakPolarHBondContact O-CG 3.47Å; D748-K752 PolarHBondContact O-N 2.82Å; E749-K752 PolarHBondContact O-N 3.19Å; V750-K752 PolarHBondContact O-N 3.42Å; K752-A756 VanDerWaalsContact O-CB 3.26Å; K752-A756 WeakPolarHBondContact O-CB 3.42Å; K752-A756 PolarHBondContact O-N 2.74Å |
| 753 | L | 96.7 | Very high | 92 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.2 | -33.8 | 176.8 | -67.7 | -176.5 | 0 | 0 | 0 | 113.1 | W728 K731 A732 L735 E749 V750 A757 L771 | W728-L753 PolarHBondContact NE1-O 3.15Å; K731-L753 HydrophobicContact CB-CD2 4.42Å; A732-L753 HydrophobicContact CB-CD1 4.07Å; L735-L753 HydrophobicContact CB-CD1 4.3Å; L735-L753 HydrophobicContact CD2-CD1 3.72Å; E749-L753 PolarHBondContact O-N 2.7Å; V750-L753 PolarHBondContact O-N 2.72Å; L753-A757 WeakPolarHBondContact O-CB 3.48Å; L753-A757 PolarHBondContact O-N 2.94Å; L753-L771 HydrophobicContact CB-CD1 3.72Å; L753-L771 HydrophobicContact CD1-CD1 4.38Å; L753-L771 HydrophobicContact CD1-CD2 4.44Å |
| 754 | I | 96.5 | Very high | 91.9 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -53.3 | 171.3 | -69.8 | 167.5 | 0 | 0 | 0 | 110.1 | V750 A751 A756 A757 E758 F768 L771 K775 | V750-I754 HydrophobicContact CG1-CD1 3.95Å; V750-I754 WeakPolarHBondContact O-CG1 3.06Å; V750-I754 PolarHBondContact O-N 2.75Å; A751-I754 PolarHBondContact O-N 3.4Å; I754-A756 VanDerWaalsContact C-N 3.3Å; I754-A756 PolarHBondContact O-N 3.34Å; I754-A757 WeakPolarHBondContact O-CB 3.37Å; I754-A757 PolarHBondContact O-N 3.27Å; I754-E758 HydrophobicContact CG2-CG 4.47Å; I754-E758 WeakPolarHBondContact O-CG 3.48Å; I754-E758 PolarHBondContact O-N 2.94Å; I754-F768 HydrophobicContact CB-CE2 4.45Å; I754-F768 HydrophobicContact CG2-CE2 3.94Å; I754-F768 HydrophobicContact CG2-CZ 4.48Å; I754-L771 HydrophobicContact CD1-CB 4.29Å; I754-L771 HydrophobicContact CG1-CB 3.88Å; I754-K775 HydrophobicContact CD1-CB 4.03Å; I754-K775 HydrophobicContact CD1-CD 4.06Å |
| 755 | A | 96.3 | Very high | 91.9 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A751 A757 E758 N759 | A751-A755 WeakPolarHBondContact O-CB 3.12Å; A751-A755 PolarHBondContact O-N 3.47Å; A755-A757 VanDerWaalsContact C-N 3.33Å; A755-A757 PolarHBondContact O-N 2.98Å; A755-E758 PolarHBondContact O-N 2.89Å; A755-N759 WeakPolarHBondContact O-CB 3.35Å; A755-N759 PolarHBondContact O-N 3.29Å; A755-N759 PolarHBondContact O-ND2 2.86Å |
| 756 | A | 95.2 | Very high | 91.4 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | K752 I754 N760 | K752-A756 VanDerWaalsContact O-CB 3.26Å; K752-A756 WeakPolarHBondContact O-CB 3.42Å; K752-A756 PolarHBondContact O-N 2.74Å; I754-A756 VanDerWaalsContact C-N 3.3Å; I754-A756 PolarHBondContact O-N 3.34Å; A756-N760 PolarHBondContact O-N 3.35Å; A756-N760 PolarHBondContact O-ND2 3.15Å |
| 757 | A | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.3 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W728 L753 I754 A755 N760 G761 Y762 F768 | W728-A757 HydrophobicContact CH2-CB 4.35Å; W728-A757 HydrophobicContact CZ2-CB 3.55Å; L753-A757 WeakPolarHBondContact O-CB 3.48Å; L753-A757 PolarHBondContact O-N 2.94Å; I754-A757 WeakPolarHBondContact O-CB 3.37Å; I754-A757 PolarHBondContact O-N 3.27Å; A755-A757 VanDerWaalsContact C-N 3.33Å; A755-A757 PolarHBondContact O-N 2.98Å; A757-N760 PolarHBondContact O-N 3.33Å; A757-G761 CarbonylContact O-C 3.53Å; A757-G761 PolarHBondContact O-N 3.32Å; A757-Y762 PolarHBondContact O-N 2.81Å; A757-F768 HydrophobicContact CB-CD2 3.44Å; A757-F768 VanDerWaalsContact CB-CD2 3.44Å; A757-F768 HydrophobicContact CB-CE2 3.82Å; A757-F768 HydrophobicContact CB-CG 4.42Å |
| 758 | E | 94.8 | Very high | 91.3 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 177.9 | -70.5 | 170.7 | 154.3 | 0 | 0 | 111.3 | I754 A755 N760 G761 T763 F768 | I754-E758 HydrophobicContact CG2-CG 4.47Å; I754-E758 WeakPolarHBondContact O-CG 3.48Å; I754-E758 PolarHBondContact O-N 2.94Å; A755-E758 PolarHBondContact O-N 2.89Å; E758-N760 VanDerWaalsContact C-N 3.31Å; E758-N760 PolarHBondContact O-N 3.07Å; E758-G761 PolarHBondContact O-N 3.26Å; E758-T763 HydrophobicContact CB-CG2 4.49Å; E758-T763 HydrophobicContact CG-CG2 3.99Å; E758-F768 HydrophobicContact CG-CE2 3.9Å; E758-F768 HydrophobicContact CG-CZ 3.91Å |
| 759 | N | 94.4 | Very high | 91 | Very high | 140 Ų | 140 | 51.1 Ų | 51.1 | 75% | 0.749 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.1 | -29.3 | 179.8 | -72.3 | -23.2 | 0 | 0 | 0 | 114 | A755 | A755-N759 WeakPolarHBondContact O-CB 3.35Å; A755-N759 PolarHBondContact O-N 3.29Å; A755-N759 PolarHBondContact O-ND2 2.86Å |
| 760 | N | 91 | Very high | 90.8 | Very high | 97 Ų | 97 | 54.3 Ų | 54.3 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -106 | 4.3 | -178 | -63 | -74.6 | 0 | 0 | 0 | 113.7 | A756 A757 E758 Y762 | A756-N760 PolarHBondContact O-N 3.35Å; A756-N760 PolarHBondContact O-ND2 3.15Å; A757-N760 PolarHBondContact O-N 3.33Å; E758-N760 VanDerWaalsContact C-N 3.31Å; E758-N760 PolarHBondContact O-N 3.07Å; N760-Y762 HydrophobicContact CB-CD1 4.22Å; N760-Y762 HydrophobicContact CB-CD2 3.85Å; N760-Y762 HydrophobicContact CB-CE1 3.92Å; N760-Y762 HydrophobicContact CB-CE2 3.5Å; N760-Y762 VanDerWaalsContact CB-CE2 3.5Å; N760-Y762 HydrophobicContact CB-CG 4.2Å; N760-Y762 WeakPolarHBondContact O-CD1 3.48Å; N760-Y762 WeakPolarHBondContact O-CE1 3.24Å; N760-Y762 PolarHBondContact O-N 2.98Å |
| 761 | G | 87.7 | Confident | 90.8 | Very high | 50 Ų | 50 | 54.3 Ų | 54.3 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 18.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A757 E758 T763 | A757-G761 CarbonylContact O-C 3.53Å; A757-G761 PolarHBondContact O-N 3.32Å; E758-G761 PolarHBondContact O-N 3.26Å; G761-T763 PolarHBondContact O-N 3.29Å |
| 762 | Y | 89.2 | Confident | 90.7 | Very high | 17 Ų | 17 | 57 Ų | 57 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | trans | -81.2 | 13.2 | 179.9 | -51.3 | -30.8 | 0 | 0 | 0 | 113.6 | D723 G724 F725 W728 A757 N760 Q764 A765 | D723-Y762 PolarHBondContact OD1-OH 3.38Å; G724-Y762 VanDerWaalsContact C-OH 3.31Å; G724-Y762 WeakPolarHBondContact CA-OH 3.27Å; G724-Y762 PolarHBondContact N-OH 3.28Å; F725-Y762 HydrophobicContact CB-CD1 4.35Å; F725-Y762 HydrophobicContact CB-CE1 3.85Å; F725-Y762 HydrophobicContact CB-CE2 4.35Å; F725-Y762 AromaticContact CD2-CD1 3.71Å; F725-Y762 HydrophobicContact CD2-CD1 3.71Å; F725-Y762 HydrophobicContact CD2-CD2 4.37Å; F725-Y762 HydrophobicContact CD2-CE1 4.09Å; F725-Y762 AromaticContact CD2-CG 3.86Å; F725-Y762 HydrophobicContact CD2-CG 3.86Å; F725-Y762 HydrophobicContact CG-CE1 4.49Å; F725-Y762 VanDerWaalsContact N-CZ 3.34Å; F725-Y762 PolarHBondContact N-OH 2.79Å; W728-Y762 HydrophobicContact CB-CD2 4.23Å; W728-Y762 HydrophobicContact CB-CE2 4.23Å; W728-Y762 AromaticContact CD2-CD2 3.99Å; W728-Y762 HydrophobicContact CD2-CD2 3.99Å; W728-Y762 HydrophobicContact CE3-CD2 4.14Å; W728-Y762 AromaticContact CG-CD2 4Å; W728-Y762 HydrophobicContact CG-CD2 4Å; W728-Y762 HydrophobicContact CG-CE2 4.45Å; A757-Y762 PolarHBondContact O-N 2.81Å; N760-Y762 HydrophobicContact CB-CD1 4.22Å; N760-Y762 HydrophobicContact CB-CD2 3.85Å; N760-Y762 HydrophobicContact CB-CE1 3.92Å; N760-Y762 HydrophobicContact CB-CE2 3.5Å; N760-Y762 VanDerWaalsContact CB-CE2 3.5Å; N760-Y762 HydrophobicContact CB-CG 4.2Å; N760-Y762 WeakPolarHBondContact O-CD1 3.48Å; N760-Y762 WeakPolarHBondContact O-CE1 3.24Å; N760-Y762 PolarHBondContact O-N 2.98Å; Y762-Q764 PolarHBondContact O-N 3.25Å; Y762-Q764 VanDerWaalsContact O-N 3.12Å; Y762-A765 WeakPolarHBondContact O-CB 3.31Å; Y762-A765 PolarHBondContact O-N 3.04Å; Y762-A765 VanDerWaalsContact O-N 3.11Å | ||
| 763 | T | 85.4 | Confident | 90.5 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -11.5 | -171.5 | 58.3 | 0 | 0 | 0 | 0 | 115.2 | E758 G761 F768 | E758-T763 HydrophobicContact CB-CG2 4.49Å; E758-T763 HydrophobicContact CG-CG2 3.99Å; G761-T763 PolarHBondContact O-N 3.29Å; T763-F768 HydrophobicContact CG2-CD1 4.48Å; T763-F768 HydrophobicContact CG2-CE1 3.97Å; T763-F768 HydrophobicContact CG2-CE2 4.03Å; T763-F768 HydrophobicContact CG2-CZ 3.73Å; T763-F768 WeakPolarHBondContact O-CD1 3.47Å |
| 764 | Q | 77.9 | Confident | 90.2 | Very high | 130 Ų | 130 | 56.8 Ų | 56.8 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10.7 | 174.9 | -62.8 | -173.9 | 9.7 | 0 | 0 | 113.3 | Y762 | Y762-Q764 PolarHBondContact O-N 3.25Å; Y762-Q764 VanDerWaalsContact O-N 3.12Å |
| 765 | A | 82.4 | Confident | 90.1 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -77.3 | 141.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | F725 W728 Y762 P767 F768 | F725-A765 HydrophobicContact CE2-CB 3.74Å; F725-A765 HydrophobicContact CZ-CB 4.06Å; W728-A765 HydrophobicContact CH2-CB 4.11Å; W728-A765 HydrophobicContact CZ3-CB 3.79Å; Y762-A765 WeakPolarHBondContact O-CB 3.31Å; Y762-A765 PolarHBondContact O-N 3.04Å; Y762-A765 VanDerWaalsContact O-N 3.11Å; A765-P767 VanDerWaalsContact C-N 3.3Å; A765-P767 WeakPolarHBondContact O-CD 3.45Å; A765-F768 VanDerWaalsContact O-CB 3.32Å; A765-F768 WeakPolarHBondContact O-CB 3.13Å; A765-F768 PolarHBondContact O-N 2.98Å |
| 766 | A | 79.5 | Confident | 89.9 | Confident | 57 Ų | 57 | 61 Ų | 61 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -51.6 | -30 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 767 | P | 89.5 | Confident | 89.6 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72 | -28.2 | 173 | -19.4 | 33.2 | 0 | 0 | 0 | 114.1 | W728 F729 A732 L736 A765 D769 K770 L771 | W728-P767 HydrophobicContact CH2-CB 4.06Å; W728-P767 HydrophobicContact CH2-CG 4.39Å; W728-P767 HydrophobicContact CZ3-CG 4.42Å; F729-P767 HydrophobicContact CD2-CG 3.47Å; F729-P767 VanDerWaalsContact CD2-CG 3.47Å; F729-P767 HydrophobicContact CE2-CG 3.44Å; F729-P767 VanDerWaalsContact CE2-CG 3.44Å; F729-P767 HydrophobicContact CG-CG 4.33Å; F729-P767 HydrophobicContact CZ-CG 4.29Å; A732-P767 HydrophobicContact CB-CB 3.63Å; A732-P767 HydrophobicContact CB-CG 4.36Å; L736-P767 HydrophobicContact CD1-CB 4.15Å; A765-P767 VanDerWaalsContact C-N 3.3Å; A765-P767 WeakPolarHBondContact O-CD 3.45Å; P767-D769 PolarHBondContact O-N 3.11Å; P767-K770 PolarHBondContact O-N 3.22Å; P767-L771 WeakPolarHBondContact O-CG 3.46Å; P767-L771 PolarHBondContact O-N 3.04Å |
| 768 | F | 92 | Very high | 89.5 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | -175.1 | 178.9 | -105.9 | 0 | 0 | 0 | 111.8 | W728 I754 A757 E758 T763 A765 K770 L771 R772 | W728-F768 HydrophobicContact CH2-CB 4.15Å; W728-F768 HydrophobicContact CZ2-CB 4.43Å; I754-F768 HydrophobicContact CB-CE2 4.45Å; I754-F768 HydrophobicContact CG2-CE2 3.94Å; I754-F768 HydrophobicContact CG2-CZ 4.48Å; A757-F768 HydrophobicContact CB-CD2 3.44Å; A757-F768 VanDerWaalsContact CB-CD2 3.44Å; A757-F768 HydrophobicContact CB-CE2 3.82Å; A757-F768 HydrophobicContact CB-CG 4.42Å; E758-F768 HydrophobicContact CG-CE2 3.9Å; E758-F768 HydrophobicContact CG-CZ 3.91Å; T763-F768 HydrophobicContact CG2-CD1 4.48Å; T763-F768 HydrophobicContact CG2-CE1 3.97Å; T763-F768 HydrophobicContact CG2-CE2 4.03Å; T763-F768 HydrophobicContact CG2-CZ 3.73Å; T763-F768 WeakPolarHBondContact O-CD1 3.47Å; A765-F768 VanDerWaalsContact O-CB 3.32Å; A765-F768 WeakPolarHBondContact O-CB 3.13Å; A765-F768 PolarHBondContact O-N 2.98Å; F768-K770 PolarHBondContact O-N 2.9Å; F768-L771 PolarHBondContact O-N 2.94Å; F768-R772 PolarHBondContact O-N 2.89Å |
| 769 | D | 86.7 | Confident | 89.3 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.6 | -27.3 | -178.8 | -145.6 | 48.1 | 0 | 0 | 0 | 111.7 | P767 R772 R773 | P767-D769 PolarHBondContact O-N 3.11Å; D769-R772 IonicContact OD1-CZ 3.59Å; D769-R772 IonicContact OD1-NH1 2.72Å; D769-R772 PolarHBondContact OD1-NH1 3.27Å; D769-R772 IonicContact OD1-NH2 3.55Å; D769-R772 PolarHBondContact OD1-NH2 3.34Å; D769-R773 WeakPolarHBondContact O-CD 3.47Å; D769-R773 WeakPolarHBondContact O-CG 3.48Å; D769-R773 PolarHBondContact O-N 2.96Å; D769-R773 IonicContact OD2-CZ 2.7Å; D769-R773 IonicContact OD2-NE 2.66Å; D769-R773 PolarHBondContact OD2-NE 3.37Å; D769-R773 IonicContact OD2-NH2 3.4Å; D769-R773 PolarHBondContact OD2-NH2 2.82Å |
| 770 | K | 90.4 | Very high | 89 | Confident | 121 Ų | 121 | 61.4 Ų | 61.4 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.2 | -50.1 | 170.8 | -67.3 | 172.7 | -176.7 | 172.1 | 0 | 111.4 | L736 P767 F768 R772 R773 T774 | L736-K770 HydrophobicContact CD1-CB 3.65Å; L736-K770 HydrophobicContact CD1-CD 4.1Å; L736-K770 HydrophobicContact CD2-CB 4.09Å; P767-K770 PolarHBondContact O-N 3.22Å; F768-K770 PolarHBondContact O-N 2.9Å; K770-R772 VanDerWaalsContact C-N 3.32Å; K770-R772 PolarHBondContact O-N 3.14Å; K770-R773 PolarHBondContact O-N 3.42Å; K770-T774 PolarHBondContact O-N 3.46Å; K770-T774 PolarHBondContact O-OG1 2.89Å |
| 771 | L | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.8 | -45.3 | 175.7 | -72.3 | 168.8 | 0 | 0 | 0 | 111.5 | W728 A732 L735 L736 V750 L753 I754 P767 F768 T774 K775 | W728-L771 HydrophobicContact CZ2-CD1 4.17Å; A732-L771 HydrophobicContact CB-CD1 3.9Å; L735-L771 HydrophobicContact CD2-CD2 4.24Å; L736-L771 HydrophobicContact CD1-CG 4.34Å; L736-L771 HydrophobicContact CD2-CD2 4.04Å; L736-L771 HydrophobicContact CD2-CG 4.41Å; L736-L771 HydrophobicContact CG-CD2 4.09Å; L736-L771 HydrophobicContact CG-CG 4.44Å; V750-L771 HydrophobicContact CG1-CB 4.19Å; V750-L771 HydrophobicContact CG1-CD2 4Å; V750-L771 WeakPolarHBondContact CG1-O 3.35Å; V750-L771 HydrophobicContact CG2-CD2 4.49Å; L753-L771 HydrophobicContact CB-CD1 3.72Å; L753-L771 HydrophobicContact CD1-CD1 4.38Å; L753-L771 HydrophobicContact CD1-CD2 4.44Å; I754-L771 HydrophobicContact CD1-CB 4.29Å; I754-L771 HydrophobicContact CG1-CB 3.88Å; P767-L771 WeakPolarHBondContact O-CG 3.46Å; P767-L771 PolarHBondContact O-N 3.04Å; F768-L771 PolarHBondContact O-N 2.94Å; L771-T774 PolarHBondContact O-N 3.31Å; L771-K775 PolarHBondContact O-N 3.16Å |
| 772 | R | 94.2 | Very high | 88.9 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 178 | -162 | -170.6 | 68.5 | -109.1 | -9.9 | 111.5 | F768 D769 K770 T774 K775 E776 | F768-R772 PolarHBondContact O-N 2.89Å; D769-R772 IonicContact OD1-CZ 3.59Å; D769-R772 IonicContact OD1-NH1 2.72Å; D769-R772 PolarHBondContact OD1-NH1 3.27Å; D769-R772 IonicContact OD1-NH2 3.55Å; D769-R772 PolarHBondContact OD1-NH2 3.34Å; K770-R772 VanDerWaalsContact C-N 3.32Å; K770-R772 PolarHBondContact O-N 3.14Å; R772-T774 PolarHBondContact O-N 3.36Å; R772-K775 PolarHBondContact O-N 2.81Å; R772-E776 IonicContact CZ-OE1 2.9Å; R772-E776 IonicContact NE-OE1 2.78Å; R772-E776 PolarHBondContact NE-OE1 3.17Å; R772-E776 IonicContact NH2-OE1 3.95Å; R772-E776 WeakPolarHBondContact O-CG 3.19Å; R772-E776 PolarHBondContact O-N 3.16Å |
| 773 | R | 91.1 | Very high | 88.7 | Confident | 141 Ų | 141 | 62.1 Ų | 62.1 | 53% | 0.532 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 175 | -69.9 | 170.9 | -155.5 | -158.6 | 7.6 | 112.1 | D769 K770 K775 E776 E777 | D769-R773 WeakPolarHBondContact O-CD 3.47Å; D769-R773 WeakPolarHBondContact O-CG 3.48Å; D769-R773 PolarHBondContact O-N 2.96Å; D769-R773 IonicContact OD2-CZ 2.7Å; D769-R773 IonicContact OD2-NE 2.66Å; D769-R773 PolarHBondContact OD2-NE 3.37Å; D769-R773 IonicContact OD2-NH2 3.4Å; D769-R773 PolarHBondContact OD2-NH2 2.82Å; K770-R773 PolarHBondContact O-N 3.42Å; R773-K775 VanDerWaalsContact C-N 3.32Å; R773-K775 PolarHBondContact O-N 3.21Å; R773-E776 PolarHBondContact O-N 2.99Å; R773-E777 WeakPolarHBondContact O-CB 3.37Å; R773-E777 WeakPolarHBondContact O-CG 3.24Å; R773-E777 PolarHBondContact O-N 3.21Å |
| 774 | T | 92.2 | Very high | 88.7 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 176 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | K770 L771 R772 H778 P827 | K770-T774 PolarHBondContact O-N 3.46Å; K770-T774 PolarHBondContact O-OG1 2.89Å; L771-T774 PolarHBondContact O-N 3.31Å; R772-T774 PolarHBondContact O-N 3.36Å; T774-H778 WeakPolarHBondContact O-CB 3.44Å; T774-H778 PolarHBondContact O-N 3.08Å; T774-P827 HydrophobicContact CG2-CB 4.13Å; T774-P827 HydrophobicContact CG2-CG 4.39Å |
| 775 | K | 93.7 | Very high | 89.2 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 33% | 0.326 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.8 | -48.2 | 171.7 | -174.7 | -176.3 | 173.5 | -170.7 | 0 | 112 | V747 V750 I754 L771 R772 R773 E777 H778 D779 | V747-K775 HydrophobicContact CG2-CG 4.1Å; V750-K775 HydrophobicContact CG1-CB 4.08Å; I754-K775 HydrophobicContact CD1-CB 4.03Å; I754-K775 HydrophobicContact CD1-CD 4.06Å; L771-K775 PolarHBondContact O-N 3.16Å; R772-K775 PolarHBondContact O-N 2.81Å; R773-K775 VanDerWaalsContact C-N 3.32Å; R773-K775 PolarHBondContact O-N 3.21Å; K775-E777 PolarHBondContact O-N 3.27Å; K775-H778 WeakPolarHBondContact O-CB 3.27Å; K775-H778 PolarHBondContact O-N 2.88Å; K775-D779 VanDerWaalsContact CE-OD2 3.3Å; K775-D779 WeakPolarHBondContact CE-OD2 3.39Å; K775-D779 WeakPolarHBondContact O-CB 3.41Å; K775-D779 VanDerWaalsContact O-CG 3.22Å; K775-D779 PolarHBondContact O-N 3.36Å |
| 776 | E | 91.6 | Very high | 89.2 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.6 | -34.7 | 177.4 | -72.9 | 177.6 | -133.8 | 0 | 0 | 112.3 | R772 R773 R780 | R772-E776 IonicContact CZ-OE1 2.9Å; R772-E776 IonicContact NE-OE1 2.78Å; R772-E776 PolarHBondContact NE-OE1 3.17Å; R772-E776 IonicContact NH2-OE1 3.95Å; R772-E776 WeakPolarHBondContact O-CG 3.19Å; R772-E776 PolarHBondContact O-N 3.16Å; R773-E776 PolarHBondContact O-N 2.99Å; E776-R780 WeakPolarHBondContact O-CD 3.41Å; E776-R780 WeakPolarHBondContact O-CG 3.3Å; E776-R780 PolarHBondContact O-N 3.02Å; E776-R780 PolarHBondContact O-NE 3.06Å; E776-R780 IonicContact OE2-NH2 2.89Å; E776-R780 PolarHBondContact OE2-NH2 3.4Å |
| 777 | E | 89.1 | Confident | 89.3 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.5 | -46.4 | 174.2 | -74.3 | 175.6 | 175.4 | 0 | 0 | 112.2 | R773 K775 D779 R780 W781 | R773-E777 WeakPolarHBondContact O-CB 3.37Å; R773-E777 WeakPolarHBondContact O-CG 3.24Å; R773-E777 PolarHBondContact O-N 3.21Å; K775-E777 PolarHBondContact O-N 3.27Å; E777-D779 VanDerWaalsContact C-N 3.34Å; E777-D779 PolarHBondContact O-N 3.08Å; E777-R780 PolarHBondContact O-N 3.18Å; E777-W781 PolarHBondContact O-N 2.96Å |
| 778 | H | 91.8 | Very high | 89 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -51.6 | -53 | 172.5 | 167.3 | -83.8 | 0 | 0 | 0 | 111.1 | V747 T774 K775 R780 W781 E782 C828 | V747-H778 WeakPolarHBondContact CG2-ND1 3.44Å; T774-H778 WeakPolarHBondContact O-CB 3.44Å; T774-H778 PolarHBondContact O-N 3.08Å; K775-H778 WeakPolarHBondContact O-CB 3.27Å; K775-H778 PolarHBondContact O-N 2.88Å; H778-R780 PolarHBondContact O-N 3.13Å; H778-W781 PolarHBondContact O-N 2.73Å; H778-E782 IonicContact CE1-OE2 2.7Å; H778-E782 PolarHBondContact CE1-OE2 3.39Å; H778-E782 PolarHBondContact O-N 3.37Å; H778-C828 HydrophobicContact CB-CB 4.18Å |
| 779 | D | 90.7 | Very high | 88.4 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -31 | -174.7 | -63.7 | -5.6 | 0 | 0 | 0 | 111.1 | K775 E777 N783 | K775-D779 VanDerWaalsContact CE-OD2 3.3Å; K775-D779 WeakPolarHBondContact CE-OD2 3.39Å; K775-D779 WeakPolarHBondContact O-CB 3.41Å; K775-D779 VanDerWaalsContact O-CG 3.22Å; K775-D779 PolarHBondContact O-N 3.36Å; E777-D779 VanDerWaalsContact C-N 3.34Å; E777-D779 PolarHBondContact O-N 3.08Å; D779-N783 WeakPolarHBondContact O-CB 3.3Å; D779-N783 PolarHBondContact O-N 3.38Å; D779-N783 PolarHBondContact O-ND2 3.11Å |
| 780 | R | 88.5 | Confident | 87.9 | Confident | 142 Ų | 142 | 66.4 Ų | 66.4 | 54% | 0.536 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.7 | -43.5 | 171.3 | -70.6 | 164 | -157.2 | -180 | 9 | 112.1 | E776 E777 H778 L784 | E776-R780 WeakPolarHBondContact O-CD 3.41Å; E776-R780 WeakPolarHBondContact O-CG 3.3Å; E776-R780 PolarHBondContact O-N 3.02Å; E776-R780 PolarHBondContact O-NE 3.06Å; E776-R780 IonicContact OE2-NH2 2.89Å; E776-R780 PolarHBondContact OE2-NH2 3.4Å; E777-R780 PolarHBondContact O-N 3.18Å; H778-R780 PolarHBondContact O-N 3.13Å; R780-L784 WeakPolarHBondContact O-CG 3.24Å; R780-L784 PolarHBondContact O-N 3.06Å |
| 781 | W | 87.5 | Confident | 87.2 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 25% | 0.254 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.9 | -40.3 | -179.4 | -75.2 | 118.4 | 0 | 0 | 0 | 113 | E777 H778 L784 A785 F819 L822 L823 I830 | E777-W781 PolarHBondContact O-N 2.96Å; H778-W781 PolarHBondContact O-N 2.73Å; W781-L784 HydrophobicContact CE3-CD1 3.89Å; W781-L784 HydrophobicContact CZ3-CD1 4.08Å; W781-L784 PolarHBondContact O-N 3.39Å; W781-L784 VanDerWaalsContact O-N 3.1Å; W781-A785 PolarHBondContact O-N 3.37Å; W781-F819 HydrophobicContact CE3-CE2 4.42Å; W781-F819 HydrophobicContact CZ3-CE2 4.13Å; W781-L822 HydrophobicContact CH2-CB 3.88Å; W781-L822 HydrophobicContact CH2-CD1 4.45Å; W781-L822 HydrophobicContact CZ3-CB 4.12Å; W781-L823 HydrophobicContact CB-CD2 4.1Å; W781-L823 HydrophobicContact CD2-CD2 4.3Å; W781-L823 HydrophobicContact CE3-CD2 3.77Å; W781-L823 HydrophobicContact CG-CD2 4.47Å; W781-I830 HydrophobicContact CB-CD1 3.74Å; W781-I830 HydrophobicContact CB-CG1 4.16Å |
| 782 | E | 89.6 | Confident | 86.2 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 11% | 0.112 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.5 | -164.8 | 176.5 | -145.1 | 0 | 0 | 110.4 | H778 L784 A785 I786 I830 R831 | H778-E782 IonicContact CE1-OE2 2.7Å; H778-E782 PolarHBondContact CE1-OE2 3.39Å; H778-E782 PolarHBondContact O-N 3.37Å; E782-L784 PolarHBondContact O-N 3.34Å; E782-A785 PolarHBondContact O-N 3.11Å; E782-A785 VanDerWaalsContact O-N 3.13Å; E782-I786 HydrophobicContact CG-CD1 4.19Å; E782-I786 WeakPolarHBondContact O-CG1 3.35Å; E782-I786 PolarHBondContact O-N 3.47Å; E782-I830 HydrophobicContact CB-CD1 4.41Å; E782-I830 HydrophobicContact CB-CG2 4.28Å; E782-I830 HydrophobicContact CG-CG2 4.37Å; E782-R831 WeakPolarHBondContact OE1-CB 3.38Å; E782-R831 IonicContact OE1-CZ 2.84Å; E782-R831 IonicContact OE1-NE 2.76Å; E782-R831 PolarHBondContact OE1-NE 2.81Å; E782-R831 IonicContact OE1-NH2 2.66Å; E782-R831 PolarHBondContact OE1-NH2 2.93Å; E782-R831 IonicContact OE2-NH2 3.9Å |
| 783 | N | 84.9 | Confident | 84.9 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -20.8 | 172.7 | -84.9 | -79.4 | 0 | 0 | 0 | 114.1 | D779 R787 | D779-N783 WeakPolarHBondContact O-CB 3.3Å; D779-N783 PolarHBondContact O-N 3.38Å; D779-N783 PolarHBondContact O-ND2 3.11Å; N783-R787 PolarHBondContact O-NE 2.92Å; N783-R787 PolarHBondContact O-NH2 2.98Å; N783-R787 VanDerWaalsContact O-NH2 3.17Å |
| 784 | L | 86.1 | Confident | 83.3 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -82.9 | -40 | 171.1 | -76.3 | 165 | 0 | 0 | 0 | 111.3 | R780 W781 E782 R787 M788 F819 | R780-L784 WeakPolarHBondContact O-CG 3.24Å; R780-L784 PolarHBondContact O-N 3.06Å; W781-L784 HydrophobicContact CE3-CD1 3.89Å; W781-L784 HydrophobicContact CZ3-CD1 4.08Å; W781-L784 PolarHBondContact O-N 3.39Å; W781-L784 VanDerWaalsContact O-N 3.1Å; E782-L784 PolarHBondContact O-N 3.34Å; L784-R787 PolarHBondContact O-N 3.26Å; L784-M788 PolarHBondContact O-N 3.48Å; L784-F819 HydrophobicContact CB-CE2 4.03Å; L784-F819 HydrophobicContact CB-CZ 3.86Å |
| 785 | A | 86.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W781 E782 R787 M788 L789 L823 I830 D832 L836 | W781-A785 PolarHBondContact O-N 3.37Å; E782-A785 PolarHBondContact O-N 3.11Å; E782-A785 VanDerWaalsContact O-N 3.13Å; A785-R787 VanDerWaalsContact C-N 3.29Å; A785-R787 PolarHBondContact O-N 2.97Å; A785-M788 WeakPolarHBondContact O-CA 3.46Å; A785-M788 WeakPolarHBondContact O-CB 3.4Å; A785-M788 PolarHBondContact O-N 3.16Å; A785-L789 PolarHBondContact O-N 3.18Å; A785-L823 HydrophobicContact CB-CD1 4.3Å; A785-L823 HydrophobicContact CB-CD2 4.5Å; A785-I830 HydrophobicContact CB-CG2 3.82Å; A785-D832 HydrophobicContact CB-CB 3.93Å; A785-L836 HydrophobicContact CB-CD1 3.92Å |
| 786 | I | 83.7 | Confident | 79.1 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -53.9 | -45.9 | 175.9 | -65.7 | 161.9 | 0 | 0 | 0 | 111 | E782 L789 A790 D832 | E782-I786 HydrophobicContact CG-CD1 4.19Å; E782-I786 WeakPolarHBondContact O-CG1 3.35Å; E782-I786 PolarHBondContact O-N 3.47Å; I786-L789 PolarHBondContact O-N 3.17Å; I786-A790 WeakPolarHBondContact O-CB 3.19Å; I786-A790 PolarHBondContact O-N 3.23Å; I786-D832 WeakPolarHBondContact CA-OD2 3.3Å; I786-D832 WeakPolarHBondContact CG1-OD2 3.47Å |
| 787 | R | 80.8 | Confident | 77 | Confident | 155 Ų | 155 | 70.9 Ų | 70.9 | 59% | 0.585 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.8 | -28.4 | 179.1 | -79 | -178 | -69 | 164.4 | 0 | 113.3 | N783 L784 A785 R791 | N783-R787 PolarHBondContact O-NE 2.92Å; N783-R787 PolarHBondContact O-NH2 2.98Å; N783-R787 VanDerWaalsContact O-NH2 3.17Å; L784-R787 PolarHBondContact O-N 3.26Å; A785-R787 VanDerWaalsContact C-N 3.29Å; A785-R787 PolarHBondContact O-N 2.97Å; R787-R791 WeakPolarHBondContact O-CB 3.37Å; R787-R791 PolarHBondContact O-N 2.69Å |
| 788 | M | 82.6 | Confident | 75 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.8 | -50.7 | 171.6 | -173.6 | 64.7 | 97.3 | 0 | 0 | 110 | L784 A785 A790 R791 L792 L811 F819 L836 | L784-M788 PolarHBondContact O-N 3.48Å; A785-M788 WeakPolarHBondContact O-CA 3.46Å; A785-M788 WeakPolarHBondContact O-CB 3.4Å; A785-M788 PolarHBondContact O-N 3.16Å; M788-A790 PolarHBondContact O-N 2.91Å; M788-R791 WeakPolarHBondContact O-CA 3.35Å; M788-R791 WeakPolarHBondContact O-CB 3.35Å; M788-R791 PolarHBondContact O-N 3.11Å; M788-L792 HydrophobicContact CG-CD1 3.77Å; M788-L792 HydrophobicContact CG-CG 4.37Å; M788-L792 VanDerWaalsContact O-CG 3.28Å; M788-L792 WeakPolarHBondContact O-CG 3.45Å; M788-L792 PolarHBondContact O-N 3.07Å; M788-L792 HydrophobicContact SD-CD1 4.12Å; M788-L792 HydrophobicContact SD-CG 4.31Å; M788-L811 HydrophobicContact CE-CD1 4.2Å; M788-L811 HydrophobicContact SD-CD1 3.6Å; M788-L811 VanDerWaalsContact SD-CD1 3.6Å; M788-F819 HydrophobicContact CB-CD1 4.18Å; M788-F819 HydrophobicContact CB-CE1 3.7Å; M788-F819 HydrophobicContact CB-CZ 4.26Å; M788-F819 HydrophobicContact CE-CB 3.76Å; M788-F819 HydrophobicContact CE-CD1 3.69Å; M788-F819 HydrophobicContact CE-CD2 4.09Å; M788-F819 HydrophobicContact CE-CE1 4.32Å; M788-F819 HydrophobicContact CE-CG 3.56Å; M788-F819 HydrophobicContact CG-CD1 3.87Å; M788-F819 HydrophobicContact CG-CE1 3.92Å; M788-L836 HydrophobicContact CB-CD2 4.26Å; M788-L836 HydrophobicContact CG-CD2 3.86Å |
| 789 | L | 80.8 | Confident | 72.9 | Confident | 12 Ų | 12 | 74.5 Ų | 74.5 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 179.4 | -121.2 | 161.5 | 0 | 0 | 0 | 111.8 | A785 I786 R791 L792 S793 D832 E835 L836 L839 | A785-L789 PolarHBondContact O-N 3.18Å; I786-L789 PolarHBondContact O-N 3.17Å; L789-R791 PolarHBondContact O-N 2.83Å; L789-L792 PolarHBondContact O-N 3.2Å; L789-S793 WeakPolarHBondContact CD2-OG 3.43Å; L789-S793 PolarHBondContact O-N 3.35Å; L789-D832 HydrophobicContact CD1-CB 3.95Å; L789-E835 HydrophobicContact CD1-CB 4.01Å; L789-E835 HydrophobicContact CD1-CG 3.93Å; L789-E835 HydrophobicContact CD2-CG 4.16Å; L789-L836 HydrophobicContact CB-CD2 4.36Å; L789-L836 HydrophobicContact CD1-CD2 4.42Å; L789-L836 HydrophobicContact CD1-CG 3.97Å; L789-L836 HydrophobicContact CG-CD2 3.88Å; L789-L836 HydrophobicContact CG-CG 4Å; L789-L839 HydrophobicContact CD2-CD2 4.21Å |
| 790 | A | 75.7 | Confident | 70.6 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 67% | 0.669 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.8 | -20.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I786 M788 | I786-A790 WeakPolarHBondContact O-CB 3.19Å; I786-A790 PolarHBondContact O-N 3.23Å; M788-A790 PolarHBondContact O-N 2.91Å |
| 791 | R | 74.8 | Confident | 68.5 | Low | 120 Ų | 120 | 78.6 Ų | 78.6 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -82.3 | -27.9 | 172.7 | -177.9 | 173.7 | 179.2 | 176.9 | -0.7 | 112.3 | R787 M788 L789 G809 N883 | R787-R791 WeakPolarHBondContact O-CB 3.37Å; R787-R791 PolarHBondContact O-N 2.69Å; M788-R791 WeakPolarHBondContact O-CA 3.35Å; M788-R791 WeakPolarHBondContact O-CB 3.35Å; M788-R791 PolarHBondContact O-N 3.11Å; L789-R791 PolarHBondContact O-N 2.83Å; R791-G809 PolarHBondContact NH2-O 3.42Å; R791-N883 VanDerWaalsContact O-CB 3.31Å; R791-N883 WeakPolarHBondContact O-CB 3.27Å; R791-N883 PolarHBondContact O-ND2 3.02Å |
| 792 | L | 75.2 | Confident | 66.5 | Low | 3 Ų | 3 | 80.5 Ų | 80.5 | 2% | 0.016 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -94.3 | -47 | -173.5 | -63.7 | 174.7 | 0 | 0 | 0 | 112.9 | M788 L789 S794 L811 V816 L836 L839 N883 L884 | M788-L792 HydrophobicContact CG-CD1 3.77Å; M788-L792 HydrophobicContact CG-CG 4.37Å; M788-L792 VanDerWaalsContact O-CG 3.28Å; M788-L792 WeakPolarHBondContact O-CG 3.45Å; M788-L792 PolarHBondContact O-N 3.07Å; M788-L792 HydrophobicContact SD-CD1 4.12Å; M788-L792 HydrophobicContact SD-CG 4.31Å; L789-L792 PolarHBondContact O-N 3.2Å; L792-S794 PolarHBondContact O-N 3.35Å; L792-L811 HydrophobicContact CD2-CD1 4.33Å; L792-V816 HydrophobicContact CD1-CG1 3.73Å; L792-V816 HydrophobicContact CD1-CG2 3.93Å; L792-V816 HydrophobicContact CD2-CG2 3.98Å; L792-L836 HydrophobicContact CD1-CD2 4.03Å; L792-L839 HydrophobicContact CB-CD2 3.6Å; L792-L839 HydrophobicContact CD1-CD2 3.94Å; L792-L839 HydrophobicContact CG-CD2 4.43Å; L792-N883 PolarHBondContact O-N 3.44Å; L792-N883 VanDerWaalsContact O-N 3.15Å; L792-L884 HydrophobicContact CD2-CD1 4.09Å; L792-L884 HydrophobicContact CD2-CD2 3.42Å; L792-L884 VanDerWaalsContact CD2-CD2 3.42Å; L792-L884 HydrophobicContact CD2-CG 3.67Å |
| 793 | S | 66.2 | Low | 64.5 | Low | 54 Ų | 54 | 88.5 Ų | 88.5 | 38% | 0.378 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -80.2 | 95.1 | -178.5 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | L789 | L789-S793 WeakPolarHBondContact CD2-OG 3.43Å; L789-S793 PolarHBondContact O-N 3.35Å |
| 794 | S | 57.6 | Low | 62.5 | Low | 35 Ų | 35 | 91.2 Ų | 91.2 | 25% | 0.245 | 47% | 0.469 | C | S | . | . | trans | -108.5 | 83 | -171.3 | -158.5 | 0 | 0 | 0 | 0 | 112.1 | L792 I798 A881 | L792-S794 PolarHBondContact O-N 3.35Å; S794-I798 WeakPolarHBondContact OG-CD1 3.42Å; S794-I798 WeakPolarHBondContact OG-CG1 3.4Å; S794-A881 PolarHBondContact N-O 2.84Å | ||
| 795 | S | 49.9 | Very low | 60.7 | Low | 95 Ų | 95 | 96.6 Ų | 96.6 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | trans | -83.7 | 128.4 | 171.1 | -158.5 | 0 | 0 | 0 | 0 | 110.9 | D797 | S795-D797 PolarHBondContact O-N 3Å; S795-D797 VanDerWaalsContact O-N 3.16Å | ||
| 796 | N | 46.9 | Very low | 59.1 | Low | 148 Ų | 148 | 105.6 Ų | 105.6 | 79% | 0.791 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 76.2 | -41.7 | 161.4 | -52.9 | -32.6 | 0 | 0 | 0 | 121.1 | I798 | N796-I798 PolarHBondContact O-N 3.27Š|
| 797 | D | 47.3 | Very low | 57.9 | Low | 146 Ų | 146 | 105.7 Ų | 105.7 | 78% | 0.781 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 12.2 | -164 | -116.7 | -27.5 | 0 | 0 | 0 | 117.3 | S795 T799 | S795-D797 PolarHBondContact O-N 3Å; S795-D797 VanDerWaalsContact O-N 3.16Å; D797-T799 PolarHBondContact O-N 3.07Å |
| 798 | I | 48.4 | Very low | 56.6 | Low | 30 Ų | 30 | 104.8 Ų | 104.8 | 15% | 0.154 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -79.9 | -18.3 | -161.3 | -55.2 | 176.8 | 0 | 0 | 0 | 114.8 | S794 N796 R800 A801 R802 | S794-I798 WeakPolarHBondContact OG-CD1 3.42Å; S794-I798 WeakPolarHBondContact OG-CG1 3.4Å; N796-I798 PolarHBondContact O-N 3.27Å; I798-R800 PolarHBondContact O-N 3.44Å; I798-A801 PolarHBondContact O-N 2.98Å; I798-R802 HydrophobicContact CG2-CB 3.81Å; I798-R802 VanDerWaalsContact CG2-CD 3.47Å; I798-R802 HydrophobicContact CG2-CG 3.48Å; I798-R802 VanDerWaalsContact CG2-CG 3.48Å; I798-R802 PolarHBondContact O-N 3.36Å |
| 799 | T | 47.2 | Very low | 55.4 | Low | 137 Ų | 137 | 105.9 Ų | 105.9 | 84% | 0.84 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61 | -23 | -171.4 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | D797 | D797-T799 PolarHBondContact O-N 3.07Å |
| 800 | R | 43.3 | Very low | 55 | Low | 230 Ų | 230 | 106.5 Ų | 106.5 | 87% | 0.868 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -92.9 | -33.3 | 169.2 | -87.5 | 179.7 | 163.3 | 164.3 | -4.6 | 114.2 | I798 | I798-R800 PolarHBondContact O-N 3.44Å |
| 801 | A | 43.5 | Very low | 55 | Low | 53 Ų | 53 | 103.6 Ų | 103.6 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -81.7 | -25.6 | -168 | 0 | 0 | 0 | 0 | 0 | 115.2 | I798 | I798-A801 PolarHBondContact O-N 2.98Å |
| 802 | R | 46.5 | Very low | 55.4 | Low | 108 Ų | 108 | 99.3 Ų | 99.3 | 41% | 0.408 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.1 | -174.4 | -101.1 | -174.7 | -171.8 | 135.7 | 0.7 | 115.9 | I798 K880 F882 | I798-R802 HydrophobicContact CG2-CB 3.81Å; I798-R802 VanDerWaalsContact CG2-CD 3.47Å; I798-R802 HydrophobicContact CG2-CG 3.48Å; I798-R802 VanDerWaalsContact CG2-CG 3.48Å; I798-R802 PolarHBondContact O-N 3.36Å; R802-K880 PolarHBondContact NH1-O 3.09Å; R802-K880 PolarHBondContact NH2-O 3.44Å; R802-F882 PolarHBondContact NH2-O 2.96Å |
| 803 | K | 46.1 | Very low | 55.9 | Low | 191 Ų | 191 | 100.5 Ų | 100.5 | 83% | 0.83 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -34.6 | 179.9 | -99.3 | -170 | 173.1 | -173.9 | 0 | 114 | ||
| 804 | D | 42.7 | Very low | 56.7 | Low | 146 Ų | 146 | 102.3 Ų | 102.3 | 78% | 0.781 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -12.7 | -173 | -59.4 | -56 | 0 | 0 | 0 | 114.5 | R806 | D804-R806 PolarHBondContact O-N 3.29Š|
| 805 | R | 49 | Very low | 57.9 | Low | 179 Ų | 179 | 104.9 Ų | 104.9 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | trans | -86.4 | 101.8 | -179 | -71.7 | -168.8 | 178.2 | -162.3 | 1.5 | 112.2 | ||||
| 806 | R | 52.6 | Low | 59.5 | Low | 189 Ų | 189 | 100.5 Ų | 100.5 | 71% | 0.713 | 49% | 0.489 | S | S | * | . | trans | -55 | 144.7 | 163.2 | -60 | -176.6 | -179.9 | -172.3 | -1.2 | 110.5 | D804 E808 G809 | D804-R806 PolarHBondContact O-N 3.29Å; R806-E808 HydrophobicContact CB-CB 4.45Å; R806-E808 HydrophobicContact CB-CG 4.44Å; R806-E808 WeakPolarHBondContact CB-OE2 3.47Å; R806-E808 WeakPolarHBondContact CD-OE2 3.4Å; R806-E808 IonicContact NH1-OE2 2.7Å; R806-E808 PolarHBondContact O-N 2.84Å; R806-G809 PolarHBondContact O-N 2.73Å | ||
| 807 | Q | 58.1 | Low | 61.4 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 38% | 0.379 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -58.3 | -19.4 | 179.7 | -81.2 | -166.2 | -23.6 | 0 | 0 | 114 | G809 L810 R885 | Q807-G809 PolarHBondContact O-N 2.97Å; Q807-G809 VanDerWaalsContact O-N 3.16Å; Q807-L810 HydrophobicContact CG-CD1 4.4Å; Q807-L810 WeakPolarHBondContact O-CB 3.4Å; Q807-L810 PolarHBondContact O-N 3.14Å; Q807-R885 HydrophobicContact CB-CG 4.43Å; Q807-R885 PolarHBondContact O-NE 2.91Å; Q807-R885 VanDerWaalsContact O-NE 3.1Å; Q807-R885 PolarHBondContact O-NH2 3.11Å |
| 808 | E | 53.4 | Low | 63.2 | Low | 135 Ų | 135 | 92.5 Ų | 92.5 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -53.6 | -28.8 | 175.1 | -61.1 | 167.5 | 134.7 | 0 | 0 | 113.3 | R806 R885 | R806-E808 HydrophobicContact CB-CB 4.45Å; R806-E808 HydrophobicContact CB-CG 4.44Å; R806-E808 WeakPolarHBondContact CB-OE2 3.47Å; R806-E808 WeakPolarHBondContact CD-OE2 3.4Å; R806-E808 IonicContact NH1-OE2 2.7Å; R806-E808 PolarHBondContact O-N 2.84Å; E808-R885 PolarHBondContact O-NH2 2.67Å |
| 809 | G | 58.7 | Low | 65 | Low | 51 Ų | 51 | 92.3 Ų | 92.3 | 53% | 0.526 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -88.2 | -2.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R791 R806 Q807 | R791-G809 PolarHBondContact NH2-O 3.42Å; R806-G809 PolarHBondContact O-N 2.73Å; Q807-G809 PolarHBondContact O-N 2.97Å; Q807-G809 VanDerWaalsContact O-N 3.16Å |
| 810 | L | 72.7 | Confident | 66.9 | Low | 24 Ų | 24 | 86.1 Ų | 86.1 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -93.8 | 142.2 | 178 | -58.1 | -179.9 | 0 | 0 | 0 | 110.7 | Q807 N883 R885 | Q807-L810 HydrophobicContact CG-CD1 4.4Å; Q807-L810 WeakPolarHBondContact O-CB 3.4Å; Q807-L810 PolarHBondContact O-N 3.14Å; L810-N883 VanDerWaalsContact CD2-OD1 3.31Å; L810-N883 WeakPolarHBondContact CD2-OD1 3.25Å; L810-R885 HydrophobicContact CB-CB 4.2Å; L810-R885 PolarHBondContact O-NE 3.33Å; L810-R885 PolarHBondContact O-NH2 3.37Å |
| 811 | L | 75.9 | Confident | 68.9 | Low | 20 Ų | 20 | 82.6 Ų | 82.6 | 11% | 0.105 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 147.1 | 172.7 | -70.1 | 162.1 | 0 | 0 | 0 | 110.2 | M788 L792 E815 L884 R885 | M788-L811 HydrophobicContact CE-CD1 4.2Å; M788-L811 HydrophobicContact SD-CD1 3.6Å; M788-L811 VanDerWaalsContact SD-CD1 3.6Å; L792-L811 HydrophobicContact CD2-CD1 4.33Å; L811-E815 HydrophobicContact CD2-CB 4.02Å; L811-L884 HydrophobicContact CB-CD2 3.85Å; L811-L884 WeakPolarHBondContact O-CD2 3.5Å; L811-R885 WeakPolarHBondContact O-CB 3.38Å; L811-R885 PolarHBondContact O-N 3.49Å |
| 812 | S | 82.5 | Confident | 70.8 | Confident | 30 Ų | 30 | 84.5 Ų | 84.5 | 21% | 0.21 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 164.8 | 166.7 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | Q814 E815 | S812-Q814 VanDerWaalsContact C-N 3.3Å; S812-Q814 PolarHBondContact O-N 3.3Å; S812-E815 VanDerWaalsContact CB-OE2 3.29Å; S812-E815 WeakPolarHBondContact CB-OE2 3.47Å; S812-E815 PolarHBondContact N-OE2 2.94Å; S812-E815 PolarHBondContact O-N 3.45Å; S812-E815 WeakPolarHBondContact OG-CG 3.38Å; S812-E815 PolarHBondContact OG-N 3.46Å; S812-E815 PolarHBondContact OG-OE2 3.39Å |
| 813 | L | 84.9 | Confident | 72.6 | Confident | 29 Ų | 29 | 79.6 Ų | 79.6 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 173.2 | -177.8 | 59.3 | 0 | 0 | 0 | 111.7 | E815 V816 E817 V840 V843 | L813-E815 PolarHBondContact O-N 2.97Å; L813-V816 PolarHBondContact O-N 3.06Å; L813-V816 VanDerWaalsContact O-N 3.1Å; L813-E817 PolarHBondContact O-N 3.12Å; L813-V840 HydrophobicContact CD1-CG1 4.13Å; L813-V843 HydrophobicContact CD1-CB 4.24Å; L813-V843 HydrophobicContact CD1-CG1 3.96Å |
| 814 | Q | 83.7 | Confident | 74.3 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | -179.2 | -168.8 | 65.5 | 79.4 | 0 | 0 | 112.5 | S812 V816 E817 D818 | S812-Q814 VanDerWaalsContact C-N 3.3Å; S812-Q814 PolarHBondContact O-N 3.3Å; Q814-V816 PolarHBondContact O-N 3.45Å; Q814-E817 PolarHBondContact NE2-OE2 2.72Å; Q814-E817 PolarHBondContact O-N 2.67Å; Q814-D818 PolarHBondContact NE2-OD1 3.14Å; Q814-D818 VanDerWaalsContact NE2-OD1 3.09Å; Q814-D818 WeakPolarHBondContact O-CB 3.44Å; Q814-D818 PolarHBondContact O-N 2.9Å |
| 815 | E | 82.7 | Confident | 76.2 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.1 | -29.6 | 176.9 | -72.3 | 161.9 | 102.2 | 0 | 0 | 112.5 | L811 S812 L813 F819 | L811-E815 HydrophobicContact CD2-CB 4.02Å; S812-E815 VanDerWaalsContact CB-OE2 3.29Å; S812-E815 WeakPolarHBondContact CB-OE2 3.47Å; S812-E815 PolarHBondContact N-OE2 2.94Å; S812-E815 PolarHBondContact O-N 3.45Å; S812-E815 WeakPolarHBondContact OG-CG 3.38Å; S812-E815 PolarHBondContact OG-N 3.46Å; S812-E815 PolarHBondContact OG-OE2 3.39Å; L813-E815 PolarHBondContact O-N 2.97Å; E815-F819 WeakPolarHBondContact O-CB 3.42Å; E815-F819 PolarHBondContact O-N 2.98Å; E815-F819 VanDerWaalsContact O-N 3.11Å |
| 816 | V | 83.8 | Confident | 77.9 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -79.7 | -37.8 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | L792 L813 Q814 F819 C820 V840 L884 | L792-V816 HydrophobicContact CD1-CG1 3.73Å; L792-V816 HydrophobicContact CD1-CG2 3.93Å; L792-V816 HydrophobicContact CD2-CG2 3.98Å; L813-V816 PolarHBondContact O-N 3.06Å; L813-V816 VanDerWaalsContact O-N 3.1Å; Q814-V816 PolarHBondContact O-N 3.45Å; V816-F819 PolarHBondContact O-N 2.89Å; V816-C820 PolarHBondContact O-N 2.96Å; V816-C820 PolarHBondContact O-SG 3.24Å; V816-V840 HydrophobicContact CB-CG2 4.17Å; V816-V840 HydrophobicContact CG1-CG2 3.51Å; V816-L884 HydrophobicContact CG2-CD2 4Å |
| 817 | E | 87.2 | Confident | 79.4 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 170.2 | -71 | -179.1 | 174.6 | 0 | 0 | 111.8 | L813 Q814 C820 R821 V840 | L813-E817 PolarHBondContact O-N 3.12Å; Q814-E817 PolarHBondContact NE2-OE2 2.72Å; Q814-E817 PolarHBondContact O-N 2.67Å; E817-C820 CarbonylContact O-C 3.51Å; E817-C820 WeakPolarHBondContact O-CA 3.18Å; E817-C820 WeakPolarHBondContact O-CB 3.21Å; E817-C820 PolarHBondContact O-N 3.35Å; E817-C820 VanDerWaalsContact O-N 3.12Å; E817-R821 WeakPolarHBondContact O-CG 3.48Å; E817-R821 PolarHBondContact O-N 3.25Å; E817-V840 HydrophobicContact CG-CG1 3.92Å |
| 818 | D | 84.2 | Confident | 80.8 | Confident | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 178.9 | -69.1 | -0.8 | 0 | 0 | 0 | 111.1 | Q814 C820 R821 L822 | Q814-D818 PolarHBondContact NE2-OD1 3.14Å; Q814-D818 VanDerWaalsContact NE2-OD1 3.09Å; Q814-D818 WeakPolarHBondContact O-CB 3.44Å; Q814-D818 PolarHBondContact O-N 2.9Å; D818-C820 VanDerWaalsContact C-N 3.34Å; D818-C820 PolarHBondContact O-N 2.88Å; D818-R821 PolarHBondContact O-N 3.06Å; D818-R821 IonicContact OD1-CZ 2.7Å; D818-R821 IonicContact OD1-NE 2.72Å; D818-R821 PolarHBondContact OD1-NE 2.93Å; D818-R821 IonicContact OD1-NH2 3.22Å; D818-R821 PolarHBondContact OD1-NH2 3.44Å; D818-L822 WeakPolarHBondContact O-CG 3.48Å; D818-L822 PolarHBondContact O-N 2.98Å |
| 819 | F | 86.1 | Confident | 82.4 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 170.5 | -177.6 | -106.4 | 0 | 0 | 0 | 112.1 | W781 L784 M788 E815 V816 R821 L822 L823 L836 | W781-F819 HydrophobicContact CE3-CE2 4.42Å; W781-F819 HydrophobicContact CZ3-CE2 4.13Å; L784-F819 HydrophobicContact CB-CE2 4.03Å; L784-F819 HydrophobicContact CB-CZ 3.86Å; M788-F819 HydrophobicContact CB-CD1 4.18Å; M788-F819 HydrophobicContact CB-CE1 3.7Å; M788-F819 HydrophobicContact CB-CZ 4.26Å; M788-F819 HydrophobicContact CE-CB 3.76Å; M788-F819 HydrophobicContact CE-CD1 3.69Å; M788-F819 HydrophobicContact CE-CD2 4.09Å; M788-F819 HydrophobicContact CE-CE1 4.32Å; M788-F819 HydrophobicContact CE-CG 3.56Å; M788-F819 HydrophobicContact CG-CD1 3.87Å; M788-F819 HydrophobicContact CG-CE1 3.92Å; E815-F819 WeakPolarHBondContact O-CB 3.42Å; E815-F819 PolarHBondContact O-N 2.98Å; E815-F819 VanDerWaalsContact O-N 3.11Å; V816-F819 PolarHBondContact O-N 2.89Å; F819-R821 VanDerWaalsContact C-N 3.33Å; F819-R821 PolarHBondContact O-N 3.28Å; F819-L822 PolarHBondContact O-N 2.98Å; F819-L823 HydrophobicContact CD1-CD1 4.1Å; F819-L823 HydrophobicContact CD1-CG 4.45Å; F819-L823 HydrophobicContact CE1-CD1 3.68Å; F819-L823 HydrophobicContact CE1-CD2 4.4Å; F819-L823 HydrophobicContact CE1-CG 4.1Å; F819-L823 HydrophobicContact CZ-CD1 4.24Å; F819-L823 HydrophobicContact CZ-CD2 4.14Å; F819-L823 HydrophobicContact CZ-CG 4.25Å; F819-L823 WeakPolarHBondContact O-CG 3.37Å; F819-L823 PolarHBondContact O-N 3.46Å; F819-L836 HydrophobicContact CD1-CD1 4.42Å; F819-L836 HydrophobicContact CE1-CD1 3.95Å |
| 820 | C | 87.5 | Confident | 83.8 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 174 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | V816 E817 D818 L822 L823 D824 | V816-C820 PolarHBondContact O-N 2.96Å; V816-C820 PolarHBondContact O-SG 3.24Å; E817-C820 CarbonylContact O-C 3.51Å; E817-C820 WeakPolarHBondContact O-CA 3.18Å; E817-C820 WeakPolarHBondContact O-CB 3.21Å; E817-C820 PolarHBondContact O-N 3.35Å; E817-C820 VanDerWaalsContact O-N 3.12Å; D818-C820 VanDerWaalsContact C-N 3.34Å; D818-C820 PolarHBondContact O-N 2.88Å; C820-L822 VanDerWaalsContact C-N 3.33Å; C820-L823 PolarHBondContact O-N 3.47Å; C820-D824 PolarHBondContact O-N 2.69Å |
| 821 | R | 85.1 | Confident | 84.3 | Confident | 156 Ų | 156 | 53.4 Ų | 53.4 | 59% | 0.589 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.6 | -30.9 | 173.7 | -70.7 | -167.2 | -79.6 | -166 | -3.7 | 112.8 | E817 D818 F819 | E817-R821 WeakPolarHBondContact O-CG 3.48Å; E817-R821 PolarHBondContact O-N 3.25Å; D818-R821 PolarHBondContact O-N 3.06Å; D818-R821 IonicContact OD1-CZ 2.7Å; D818-R821 IonicContact OD1-NE 2.72Å; D818-R821 PolarHBondContact OD1-NE 2.93Å; D818-R821 IonicContact OD1-NH2 3.22Å; D818-R821 PolarHBondContact OD1-NH2 3.44Å; F819-R821 VanDerWaalsContact C-N 3.33Å; F819-R821 PolarHBondContact O-N 3.28Å |
| 822 | L | 84.4 | Confident | 84.7 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.9 | -40.3 | 171.5 | -68.4 | 171.8 | 0 | 0 | 0 | 112 | W781 D818 F819 C820 D824 A825 | W781-L822 HydrophobicContact CH2-CB 3.88Å; W781-L822 HydrophobicContact CH2-CD1 4.45Å; W781-L822 HydrophobicContact CZ3-CB 4.12Å; D818-L822 WeakPolarHBondContact O-CG 3.48Å; D818-L822 PolarHBondContact O-N 2.98Å; F819-L822 PolarHBondContact O-N 2.98Å; C820-L822 VanDerWaalsContact C-N 3.33Å; L822-D824 VanDerWaalsContact C-N 3.27Å; L822-D824 PolarHBondContact O-N 3.12Å; L822-A825 WeakPolarHBondContact O-CB 3.32Å; L822-A825 PolarHBondContact O-N 3.45Å |
| 823 | L | 84.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 171.3 | -66.6 | 177.1 | 0 | 0 | 0 | 111.8 | W781 A785 F819 C820 A825 C826 I830 L836 | W781-L823 HydrophobicContact CB-CD2 4.1Å; W781-L823 HydrophobicContact CD2-CD2 4.3Å; W781-L823 HydrophobicContact CE3-CD2 3.77Å; W781-L823 HydrophobicContact CG-CD2 4.47Å; A785-L823 HydrophobicContact CB-CD1 4.3Å; A785-L823 HydrophobicContact CB-CD2 4.5Å; F819-L823 HydrophobicContact CD1-CD1 4.1Å; F819-L823 HydrophobicContact CD1-CG 4.45Å; F819-L823 HydrophobicContact CE1-CD1 3.68Å; F819-L823 HydrophobicContact CE1-CD2 4.4Å; F819-L823 HydrophobicContact CE1-CG 4.1Å; F819-L823 HydrophobicContact CZ-CD1 4.24Å; F819-L823 HydrophobicContact CZ-CD2 4.14Å; F819-L823 HydrophobicContact CZ-CG 4.25Å; F819-L823 WeakPolarHBondContact O-CG 3.37Å; F819-L823 PolarHBondContact O-N 3.46Å; C820-L823 PolarHBondContact O-N 3.47Å; L823-A825 PolarHBondContact O-N 3.45Å; L823-A825 VanDerWaalsContact O-N 3.16Å; L823-C826 WeakPolarHBondContact O-CB 3.36Å; L823-C826 PolarHBondContact O-N 2.9Å; L823-C826 VanDerWaalsContact O-N 3.08Å; L823-I830 HydrophobicContact CD2-CG1 4.23Å; L823-I830 HydrophobicContact CD2-CG2 4.49Å; L823-L836 HydrophobicContact CD1-CD1 3.79Å |
| 824 | D | 81.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -10.9 | 174.2 | -76.9 | -24.1 | 0 | 0 | 0 | 114.3 | R743 C820 L822 R833 K837 | R743-D824 WeakPolarHBondContact CD-O 3.46Å; R743-D824 PolarHBondContact NH1-O 2.89Å; C820-D824 PolarHBondContact O-N 2.69Å; L822-D824 VanDerWaalsContact C-N 3.27Å; L822-D824 PolarHBondContact O-N 3.12Å; D824-R833 IonicContact OD1-CZ 2.89Å; D824-R833 IonicContact OD1-NE 2.69Å; D824-R833 PolarHBondContact OD1-NE 3.06Å; D824-R833 IonicContact OD1-NH2 2.74Å; D824-R833 PolarHBondContact OD1-NH2 3.22Å; D824-K837 IonicContact OD1-NZ 2.68Å; D824-K837 PolarHBondContact OD1-NZ 2.87Å; D824-K837 IonicContact OD2-NZ 3.91Å; D824-K837 PolarHBondContact OD2-NZ 3.17Å |
| 825 | A | 82.6 | Confident | 84.8 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | L822 L823 | L822-A825 WeakPolarHBondContact O-CB 3.32Å; L822-A825 PolarHBondContact O-N 3.45Å; L823-A825 PolarHBondContact O-N 3.45Å; L823-A825 VanDerWaalsContact O-N 3.16Å |
| 826 | C | 84.1 | Confident | 85 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -68.7 | 139.5 | 177.5 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | R743 L823 C828 | R743-C826 WeakPolarHBondContact CB-O 3.38Å; L823-C826 WeakPolarHBondContact O-CB 3.36Å; L823-C826 PolarHBondContact O-N 2.9Å; L823-C826 VanDerWaalsContact O-N 3.08Å; C826-C828 PolarHBondContact O-N 3.25Å |
| 827 | P | 83.9 | Confident | 85.1 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 20% | 0.195 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -67.1 | -19.5 | 173.5 | -22 | 34.1 | 0 | 0 | 0 | 114.4 | R743 L745 T774 | R743-P827 CarbonylContact C-O 3.57Å; L745-P827 WeakPolarHBondContact CB-O 3.22Å; L745-P827 WeakPolarHBondContact CG-O 3.04Å; L745-P827 PolarHBondContact N-O 2.75Å; T774-P827 HydrophobicContact CG2-CB 4.13Å; T774-P827 HydrophobicContact CG2-CG 4.39Å |
| 828 | C | 87.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -110.4 | 147.1 | -176.8 | -66 | 0 | 0 | 0 | 0 | 112 | L745 H778 C826 I830 | L745-C828 HydrophobicContact CB-CB 4.47Å; L745-C828 CarbonylContact O-C 3.51Å; L745-C828 VanDerWaalsContact O-CA 3.28Å; L745-C828 WeakPolarHBondContact O-CA 3.35Å; H778-C828 HydrophobicContact CB-CB 4.18Å; C826-C828 PolarHBondContact O-N 3.25Å; C828-I830 PolarHBondContact O-N 2.91Å |
| 829 | K | 87.4 | Confident | 85.1 | Confident | 113 Ų | 113 | 56.9 Ų | 56.9 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | trans | -66.8 | 111.6 | 171.3 | -72.2 | 172 | 176.6 | 133.2 | 0 | 110.1 | D744 L745 | D744-K829 VanDerWaalsContact O-CD 3.29Å; D744-K829 WeakPolarHBondContact O-CD 3.24Å; D744-K829 WeakPolarHBondContact O-CE 3.46Å; D744-K829 PolarHBondContact O-NZ 3.2Å; D744-K829 IonicContact OD2-NZ 3.37Å; L745-K829 PolarHBondContact O-N 3.46Å | ||
| 830 | I | 87.6 | Confident | 85.1 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | trans | -80.2 | 122.6 | 169.3 | -54.5 | -57.7 | 0 | 0 | 0 | 108.8 | W781 E782 A785 L823 C828 D832 R833 | W781-I830 HydrophobicContact CB-CD1 3.74Å; W781-I830 HydrophobicContact CB-CG1 4.16Å; E782-I830 HydrophobicContact CB-CD1 4.41Å; E782-I830 HydrophobicContact CB-CG2 4.28Å; E782-I830 HydrophobicContact CG-CG2 4.37Å; A785-I830 HydrophobicContact CB-CG2 3.82Å; L823-I830 HydrophobicContact CD2-CG1 4.23Å; L823-I830 HydrophobicContact CD2-CG2 4.49Å; C828-I830 PolarHBondContact O-N 2.91Å; I830-D832 PolarHBondContact O-N 3.29Å; I830-R833 HydrophobicContact CB-CB 4.34Å; I830-R833 WeakPolarHBondContact O-CB 3.44Å; I830-R833 PolarHBondContact O-N 3.47Å | ||
| 831 | R | 84.5 | Confident | 85.2 | Confident | 185 Ų | 185 | 59 Ų | 59 | 70% | 0.698 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -54 | -176.6 | -175.2 | -164.6 | -38.4 | -120.7 | -5.1 | 113.5 | E782 R833 | E782-R831 WeakPolarHBondContact OE1-CB 3.38Å; E782-R831 IonicContact OE1-CZ 2.84Å; E782-R831 IonicContact OE1-NE 2.76Å; E782-R831 PolarHBondContact OE1-NE 2.81Å; E782-R831 IonicContact OE1-NH2 2.66Å; E782-R831 PolarHBondContact OE1-NH2 2.93Å; E782-R831 IonicContact OE2-NH2 3.9Å; R831-R833 PolarHBondContact O-N 3.22Å |
| 832 | D | 82.8 | Confident | 85.3 | Confident | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.8 | -171.8 | -70.1 | 24.4 | 0 | 0 | 0 | 113.7 | A785 I786 L789 I830 D834 L836 | A785-D832 HydrophobicContact CB-CB 3.93Å; I786-D832 WeakPolarHBondContact CA-OD2 3.3Å; I786-D832 WeakPolarHBondContact CG1-OD2 3.47Å; L789-D832 HydrophobicContact CD1-CB 3.95Å; I830-D832 PolarHBondContact O-N 3.29Å; D832-D834 PolarHBondContact O-N 3.31Å; D832-L836 WeakPolarHBondContact O-CB 3.37Å; D832-L836 WeakPolarHBondContact O-CG 3.44Å; D832-L836 PolarHBondContact O-N 2.92Å |
| 833 | R | 83.6 | Confident | 85.4 | Confident | 75 Ų | 75 | 50.6 Ų | 50.6 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | -176 | 174.8 | 179.6 | 168.7 | -101 | 17.4 | 112.9 | D824 I830 R831 L836 K837 | D824-R833 IonicContact OD1-CZ 2.89Å; D824-R833 IonicContact OD1-NE 2.69Å; D824-R833 PolarHBondContact OD1-NE 3.06Å; D824-R833 IonicContact OD1-NH2 2.74Å; D824-R833 PolarHBondContact OD1-NH2 3.22Å; I830-R833 HydrophobicContact CB-CB 4.34Å; I830-R833 WeakPolarHBondContact O-CB 3.44Å; I830-R833 PolarHBondContact O-N 3.47Å; R831-R833 PolarHBondContact O-N 3.22Å; R833-L836 PolarHBondContact O-N 3.2Å; R833-K837 HydrophobicContact CG-CD 4.43Å; R833-K837 WeakPolarHBondContact O-CG 3.36Å; R833-K837 PolarHBondContact O-N 2.87Å |
| 834 | D | 85 | Confident | 85.6 | Confident | 101 Ų | 101 | 52 Ų | 52 | 54% | 0.54 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -79.5 | -28.6 | -173 | -62.5 | -18.3 | 0 | 0 | 0 | 110.8 | D832 K837 A838 | D832-D834 PolarHBondContact O-N 3.31Å; D834-K837 PolarHBondContact O-N 2.77Å; D834-A838 WeakPolarHBondContact O-CB 3.33Å; D834-A838 PolarHBondContact O-N 3.38Å |
| 835 | E | 85.2 | Confident | 86.1 | Confident | 117 Ų | 117 | 52.5 Ų | 52.5 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 168.2 | -172.7 | 179.5 | 167.5 | 0 | 0 | 111.6 | L789 K837 A838 L839 | L789-E835 HydrophobicContact CD1-CB 4.01Å; L789-E835 HydrophobicContact CD1-CG 3.93Å; L789-E835 HydrophobicContact CD2-CG 4.16Å; E835-K837 VanDerWaalsContact C-N 3.3Å; E835-K837 PolarHBondContact O-N 2.94Å; E835-A838 PolarHBondContact O-N 3.5Å; E835-L839 WeakPolarHBondContact O-CB 3.31Å; E835-L839 PolarHBondContact O-N 3.02Å |
| 836 | L | 86.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 170.5 | -81.6 | 167.3 | 0 | 0 | 0 | 112.2 | A785 M788 L789 L792 F819 L823 D832 R833 L839 V840 | A785-L836 HydrophobicContact CB-CD1 3.92Å; M788-L836 HydrophobicContact CB-CD2 4.26Å; M788-L836 HydrophobicContact CG-CD2 3.86Å; L789-L836 HydrophobicContact CB-CD2 4.36Å; L789-L836 HydrophobicContact CD1-CD2 4.42Å; L789-L836 HydrophobicContact CD1-CG 3.97Å; L789-L836 HydrophobicContact CG-CD2 3.88Å; L789-L836 HydrophobicContact CG-CG 4Å; L792-L836 HydrophobicContact CD1-CD2 4.03Å; F819-L836 HydrophobicContact CD1-CD1 4.42Å; F819-L836 HydrophobicContact CE1-CD1 3.95Å; L823-L836 HydrophobicContact CD1-CD1 3.79Å; D832-L836 WeakPolarHBondContact O-CB 3.37Å; D832-L836 WeakPolarHBondContact O-CG 3.44Å; D832-L836 PolarHBondContact O-N 2.92Å; R833-L836 PolarHBondContact O-N 3.2Å; L836-L839 PolarHBondContact O-N 3.47Å; L836-V840 WeakPolarHBondContact O-CG2 2.88Å; L836-V840 PolarHBondContact O-N 3.22Å |
| 837 | K | 87 | Confident | 86.6 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.7 | -37.1 | 177.3 | -74.8 | -177.8 | 176.4 | -167.6 | 0 | 112.8 | D824 R833 D834 E835 V840 A841 | D824-K837 IonicContact OD1-NZ 2.68Å; D824-K837 PolarHBondContact OD1-NZ 2.87Å; D824-K837 IonicContact OD2-NZ 3.91Å; D824-K837 PolarHBondContact OD2-NZ 3.17Å; R833-K837 HydrophobicContact CG-CD 4.43Å; R833-K837 WeakPolarHBondContact O-CG 3.36Å; R833-K837 PolarHBondContact O-N 2.87Å; D834-K837 PolarHBondContact O-N 2.77Å; E835-K837 VanDerWaalsContact C-N 3.3Å; E835-K837 PolarHBondContact O-N 2.94Å; K837-V840 PolarHBondContact O-N 3.38Å; K837-A841 PolarHBondContact O-N 3.07Å |
| 838 | A | 87.1 | Confident | 86.8 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D834 E835 V840 A841 D842 | D834-A838 WeakPolarHBondContact O-CB 3.33Å; D834-A838 PolarHBondContact O-N 3.38Å; E835-A838 PolarHBondContact O-N 3.5Å; A838-V840 PolarHBondContact O-N 3.27Å; A838-A841 WeakPolarHBondContact O-CB 3.18Å; A838-A841 PolarHBondContact O-N 3.44Å; A838-A841 VanDerWaalsContact O-N 3.11Å; A838-D842 PolarHBondContact O-N 3.02Å |
| 839 | L | 84.5 | Confident | 87.1 | Confident | 22 Ų | 22 | 58.8 Ų | 58.8 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 177.6 | -166.6 | 68.8 | 0 | 0 | 0 | 112.3 | L789 L792 E835 L836 D842 V843 F882 | L789-L839 HydrophobicContact CD2-CD2 4.21Å; L792-L839 HydrophobicContact CB-CD2 3.6Å; L792-L839 HydrophobicContact CD1-CD2 3.94Å; L792-L839 HydrophobicContact CG-CD2 4.43Å; E835-L839 WeakPolarHBondContact O-CB 3.31Å; E835-L839 PolarHBondContact O-N 3.02Å; L836-L839 PolarHBondContact O-N 3.47Å; L839-D842 PolarHBondContact O-N 3.32Å; L839-V843 WeakPolarHBondContact O-CB 3.49Å; L839-V843 VanDerWaalsContact O-CG2 3.24Å; L839-V843 WeakPolarHBondContact O-CG2 3.41Å; L839-V843 PolarHBondContact O-N 3.32Å; L839-F882 HydrophobicContact CD1-CD1 4.1Å; L839-F882 HydrophobicContact CD1-CE1 3.75Å |
| 840 | V | 86.3 | Confident | 87.2 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 171.9 | 165.1 | 0 | 0 | 0 | 0 | 111.4 | L813 V816 E817 L836 K837 A838 S844 | L813-V840 HydrophobicContact CD1-CG1 4.13Å; V816-V840 HydrophobicContact CB-CG2 4.17Å; V816-V840 HydrophobicContact CG1-CG2 3.51Å; E817-V840 HydrophobicContact CG-CG1 3.92Å; L836-V840 WeakPolarHBondContact O-CG2 2.88Å; L836-V840 PolarHBondContact O-N 3.22Å; K837-V840 PolarHBondContact O-N 3.38Å; A838-V840 PolarHBondContact O-N 3.27Å; V840-S844 VanDerWaalsContact O-CB 3.26Å; V840-S844 WeakPolarHBondContact O-CB 3.47Å; V840-S844 PolarHBondContact O-N 3.17Å; V840-S844 PolarHBondContact O-OG 3.2Å |
| 841 | A | 88.9 | Confident | 87.3 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | K837 A838 S844 T845 | K837-A841 PolarHBondContact O-N 3.07Å; A838-A841 WeakPolarHBondContact O-CB 3.18Å; A838-A841 PolarHBondContact O-N 3.44Å; A838-A841 VanDerWaalsContact O-N 3.11Å; A841-S844 PolarHBondContact O-N 3.23Å; A841-T845 WeakPolarHBondContact O-CB 3.49Å; A841-T845 PolarHBondContact O-N 3.22Å; A841-T845 PolarHBondContact O-OG1 2.89Å |
| 842 | D | 88 | Confident | 87.6 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 175.2 | -108.7 | -29 | 0 | 0 | 0 | 111.9 | A838 L839 T845 L846 R878 | A838-D842 PolarHBondContact O-N 3.02Å; L839-D842 PolarHBondContact O-N 3.32Å; D842-T845 WeakPolarHBondContact O-CB 3.48Å; D842-T845 PolarHBondContact O-N 2.87Å; D842-L846 PolarHBondContact O-N 3.48Å; D842-R878 IonicContact OD1-NH2 2.62Å; D842-R878 PolarHBondContact OD1-NH2 2.91Å; D842-R878 VanDerWaalsContact OD1-NH2 3.1Å |
| 843 | V | 86.3 | Confident | 88 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 175.5 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | L813 L839 T845 L846 Q847 F882 L884 L886 | L813-V843 HydrophobicContact CD1-CB 4.24Å; L813-V843 HydrophobicContact CD1-CG1 3.96Å; L839-V843 WeakPolarHBondContact O-CB 3.49Å; L839-V843 VanDerWaalsContact O-CG2 3.24Å; L839-V843 WeakPolarHBondContact O-CG2 3.41Å; L839-V843 PolarHBondContact O-N 3.32Å; V843-T845 VanDerWaalsContact C-N 3.26Å; V843-T845 PolarHBondContact O-N 3Å; V843-L846 PolarHBondContact O-N 3.17Å; V843-Q847 PolarHBondContact O-N 3.08Å; V843-F882 HydrophobicContact CG2-CB 4.48Å; V843-F882 HydrophobicContact CG2-CD1 3.49Å; V843-F882 VanDerWaalsContact CG2-CD1 3.49Å; V843-F882 HydrophobicContact CG2-CE1 3.79Å; V843-F882 HydrophobicContact CG2-CG 3.94Å; V843-F882 HydrophobicContact CG2-CZ 4.48Å; V843-L884 HydrophobicContact CB-CD1 4.26Å; V843-L884 HydrophobicContact CG1-CD1 3.78Å; V843-L884 HydrophobicContact CG2-CD1 3.72Å; V843-L886 HydrophobicContact CG1-CD2 3.77Å |
| 844 | S | 88.5 | Confident | 88.2 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | V840 A841 K848 | V840-S844 VanDerWaalsContact O-CB 3.26Å; V840-S844 WeakPolarHBondContact O-CB 3.47Å; V840-S844 PolarHBondContact O-N 3.17Å; V840-S844 PolarHBondContact O-OG 3.2Å; A841-S844 PolarHBondContact O-N 3.23Å; S844-K848 WeakPolarHBondContact O-CG 3.4Å; S844-K848 PolarHBondContact O-N 3.07Å |
| 845 | T | 90.7 | Very high | 88.3 | Confident | 59 Ų | 59 | 48 Ų | 48 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.4 | -50.4 | 172.7 | -61 | 0 | 0 | 0 | 0 | 110.5 | A841 D842 V843 Q847 K848 N849 | A841-T845 WeakPolarHBondContact O-CB 3.49Å; A841-T845 PolarHBondContact O-N 3.22Å; A841-T845 PolarHBondContact O-OG1 2.89Å; D842-T845 WeakPolarHBondContact O-CB 3.48Å; D842-T845 PolarHBondContact O-N 2.87Å; V843-T845 VanDerWaalsContact C-N 3.26Å; V843-T845 PolarHBondContact O-N 3Å; T845-Q847 VanDerWaalsContact C-N 3.26Å; T845-Q847 PolarHBondContact O-N 3.08Å; T845-K848 WeakPolarHBondContact O-CB 3.2Å; T845-K848 PolarHBondContact O-N 3.26Å; T845-N849 PolarHBondContact O-N 2.71Å; T845-N849 VanDerWaalsContact O-N 3.11Å; T845-N849 PolarHBondContact O-OD1 2.7Å |
| 846 | L | 89.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54 | -40.6 | 175.4 | 174.2 | 65.9 | 0 | 0 | 0 | 112.7 | D842 V843 K848 N849 L850 V875 R878 F882 L886 | D842-L846 PolarHBondContact O-N 3.48Å; V843-L846 PolarHBondContact O-N 3.17Å; L846-K848 VanDerWaalsContact C-N 3.29Å; L846-K848 PolarHBondContact O-N 3.27Å; L846-N849 PolarHBondContact O-N 3.26Å; L846-L850 HydrophobicContact CD1-CD1 4.11Å; L846-L850 HydrophobicContact CG-CD1 4.31Å; L846-L850 WeakPolarHBondContact O-CB 3.48Å; L846-L850 PolarHBondContact O-N 3.37Å; L846-V875 HydrophobicContact CD1-CG1 4.42Å; L846-R878 HydrophobicContact CD1-CB 4.24Å; L846-R878 HydrophobicContact CD1-CG 4.12Å; L846-F882 HydrophobicContact CD2-CD2 3.5Å; L846-F882 HydrophobicContact CD2-CE2 3.74Å; L846-F882 HydrophobicContact CD2-CG 4.46Å; L846-L886 HydrophobicContact CD2-CD1 3.73Å |
| 847 | Q | 87.9 | Confident | 88.5 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -36.4 | 178.4 | -153.3 | 98.9 | -12.4 | 0 | 0 | 112 | V843 T845 L850 A851 S887 | V843-Q847 PolarHBondContact O-N 3.08Å; T845-Q847 VanDerWaalsContact C-N 3.26Å; T845-Q847 PolarHBondContact O-N 3.08Å; Q847-L850 WeakPolarHBondContact O-CB 3.37Å; Q847-L850 PolarHBondContact O-N 3.31Å; Q847-A851 PolarHBondContact O-N 2.92Å; Q847-A851 VanDerWaalsContact O-N 3.16Å; Q847-S887 VanDerWaalsContact NE2-N 3.14Å; Q847-S887 PolarHBondContact NE2-OG 2.78Å |
| 848 | K | 89.6 | Confident | 88.3 | Confident | 150 Ų | 150 | 43.9 Ų | 43.9 | 65% | 0.652 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -68 | -47.9 | 174.7 | -66 | 169.7 | -174.6 | 173.5 | 0 | 111.2 | S844 T845 L846 L850 A851 E852 | S844-K848 WeakPolarHBondContact O-CG 3.4Å; S844-K848 PolarHBondContact O-N 3.07Å; T845-K848 WeakPolarHBondContact O-CB 3.2Å; T845-K848 PolarHBondContact O-N 3.26Å; L846-K848 VanDerWaalsContact C-N 3.29Å; L846-K848 PolarHBondContact O-N 3.27Å; K848-L850 PolarHBondContact O-N 3.17Å; K848-A851 PolarHBondContact O-N 2.86Å; K848-E852 PolarHBondContact O-N 3.27Å |
| 849 | N | 92.6 | Very high | 88.1 | Confident | 39 Ų | 39 | 47 Ų | 47 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -32.9 | 175.2 | -67.4 | 62.4 | 0 | 0 | 0 | 111.7 | T845 L846 A853 Y871 V875 | T845-N849 PolarHBondContact O-N 2.71Å; T845-N849 VanDerWaalsContact O-N 3.11Å; T845-N849 PolarHBondContact O-OD1 2.7Å; L846-N849 PolarHBondContact O-N 3.26Å; N849-A853 VanDerWaalsContact O-CB 3.29Å; N849-A853 WeakPolarHBondContact O-CB 3.36Å; N849-A853 PolarHBondContact O-N 3.16Å; N849-Y871 PolarHBondContact ND2-OH 3.1Å; N849-V875 HydrophobicContact CB-CG1 4.37Å; N849-V875 HydrophobicContact CB-CG2 4.05Å |
| 850 | L | 90.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -49.7 | 174.2 | -127.8 | 94.6 | 0 | 0 | 0 | 111.9 | L846 Q847 K848 A853 Q854 V875 L886 S887 L889 L892 | L846-L850 HydrophobicContact CD1-CD1 4.11Å; L846-L850 HydrophobicContact CG-CD1 4.31Å; L846-L850 WeakPolarHBondContact O-CB 3.48Å; L846-L850 PolarHBondContact O-N 3.37Å; Q847-L850 WeakPolarHBondContact O-CB 3.37Å; Q847-L850 PolarHBondContact O-N 3.31Å; K848-L850 PolarHBondContact O-N 3.17Å; L850-A853 PolarHBondContact O-N 3.08Å; L850-Q854 WeakPolarHBondContact O-CG 3.27Å; L850-Q854 PolarHBondContact O-N 3.25Å; L850-V875 HydrophobicContact CB-CG1 4.47Å; L850-V875 HydrophobicContact CD1-CG1 3.68Å; L850-V875 HydrophobicContact CG-CG1 4.21Å; L850-L886 HydrophobicContact CD2-CB 4.36Å; L850-S887 WeakPolarHBondContact CD2-O 3.44Å; L850-L889 HydrophobicContact CD1-CD1 4.03Å; L850-L889 HydrophobicContact CD2-CB 4Å; L850-L889 HydrophobicContact CD2-CD1 3.99Å; L850-L889 HydrophobicContact CG-CD1 4.49Å; L850-L892 HydrophobicContact CG-CD2 4.14Å |
| 851 | A | 88.4 | Confident | 86.8 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q847 K848 Q854 Q855 | Q847-A851 PolarHBondContact O-N 2.92Å; Q847-A851 VanDerWaalsContact O-N 3.16Å; K848-A851 PolarHBondContact O-N 2.86Å; A851-Q854 PolarHBondContact O-N 3.29Å; A851-Q855 WeakPolarHBondContact O-CB 3.31Å; A851-Q855 PolarHBondContact O-N 3.08Å |
| 852 | E | 91.6 | Very high | 86 | Confident | 98 Ų | 98 | 58.7 Ų | 58.7 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.9 | -50.6 | 171.7 | -178.8 | -178.2 | -135.2 | 0 | 0 | 111.1 | K848 Q854 Q855 L856 Y871 | K848-E852 PolarHBondContact O-N 3.27Å; E852-Q854 VanDerWaalsContact C-N 3.31Å; E852-Q854 PolarHBondContact O-N 3.04Å; E852-Q855 CarbonylContact O-C 3.6Å; E852-Q855 WeakPolarHBondContact O-CA 3.49Å; E852-Q855 WeakPolarHBondContact O-CB 3.34Å; E852-Q855 PolarHBondContact O-N 2.91Å; E852-L856 WeakPolarHBondContact O-CG 3.31Å; E852-L856 PolarHBondContact O-N 2.9Å; E852-Y871 HydrophobicContact CG-CE1 4.3Å; E852-Y871 WeakPolarHBondContact OE2-CE1 2.77Å; E852-Y871 PolarHBondContact OE2-OH 2.9Å |
| 853 | A | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N849 L850 L856 M857 A872 V875 L892 | N849-A853 VanDerWaalsContact O-CB 3.29Å; N849-A853 WeakPolarHBondContact O-CB 3.36Å; N849-A853 PolarHBondContact O-N 3.16Å; L850-A853 PolarHBondContact O-N 3.08Å; A853-L856 PolarHBondContact O-N 3.04Å; A853-M857 VanDerWaalsContact O-CG 3.29Å; A853-M857 WeakPolarHBondContact O-CG 3.5Å; A853-M857 PolarHBondContact O-N 3.05Å; A853-A872 HydrophobicContact CB-CB 4.5Å; A853-V875 HydrophobicContact CB-CB 4.44Å; A853-V875 HydrophobicContact CB-CG1 4.3Å; A853-V875 HydrophobicContact CB-CG2 4.5Å; A853-L892 HydrophobicContact CB-CD1 3.76Å; A853-L892 HydrophobicContact CB-CD2 3.84Å; A853-L892 HydrophobicContact CB-CG 4.48Å |
| 854 | Q | 87.8 | Confident | 85.4 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 12% | 0.121 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 171.3 | -72.2 | 173.4 | -90.1 | 0 | 0 | 112.3 | L850 A851 E852 L856 M857 T858 G888 L892 | L850-Q854 WeakPolarHBondContact O-CG 3.27Å; L850-Q854 PolarHBondContact O-N 3.25Å; A851-Q854 PolarHBondContact O-N 3.29Å; E852-Q854 VanDerWaalsContact C-N 3.31Å; E852-Q854 PolarHBondContact O-N 3.04Å; Q854-L856 VanDerWaalsContact C-N 3.32Å; Q854-M857 PolarHBondContact O-N 2.84Å; Q854-T858 WeakPolarHBondContact O-CB 3.37Å; Q854-T858 WeakPolarHBondContact O-CG2 3.38Å; Q854-T858 PolarHBondContact O-N 3.41Å; Q854-T858 VanDerWaalsContact O-N 3.08Å; Q854-T858 PolarHBondContact O-OG1 3.09Å; Q854-G888 VanDerWaalsContact NE2-CA 3.32Å; Q854-L892 HydrophobicContact CG-CB 3.8Å; Q854-L892 HydrophobicContact CG-CD1 4.42Å |
| 855 | Q | 87.1 | Confident | 85.4 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.8 | -31 | 179 | -158.8 | -173.7 | 73.7 | 0 | 0 | 112 | A851 E852 T858 | A851-Q855 WeakPolarHBondContact O-CB 3.31Å; A851-Q855 PolarHBondContact O-N 3.08Å; E852-Q855 CarbonylContact O-C 3.6Å; E852-Q855 WeakPolarHBondContact O-CA 3.49Å; E852-Q855 WeakPolarHBondContact O-CB 3.34Å; E852-Q855 PolarHBondContact O-N 2.91Å; Q855-T858 WeakPolarHBondContact CA-OG1 3.12Å; Q855-T858 PolarHBondContact O-OG1 3.48Å |
| 856 | L | 88.8 | Confident | 85.1 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -53.3 | 168.9 | -64.3 | 175.5 | 0 | 0 | 0 | 111.2 | E852 A853 Q854 T858 R859 Y871 | E852-L856 WeakPolarHBondContact O-CG 3.31Å; E852-L856 PolarHBondContact O-N 2.9Å; A853-L856 PolarHBondContact O-N 3.04Å; Q854-L856 VanDerWaalsContact C-N 3.32Å; L856-T858 PolarHBondContact O-N 3.47Å; L856-T858 VanDerWaalsContact O-N 3.11Å; L856-R859 WeakPolarHBondContact O-CB 3.4Å; L856-R859 WeakPolarHBondContact O-CG 3.49Å; L856-R859 PolarHBondContact O-N 3.39Å; L856-R859 VanDerWaalsContact O-N 3.11Å; L856-Y871 HydrophobicContact CD1-CD1 3.67Å; L856-Y871 HydrophobicContact CD1-CE1 4.06Å |
| 857 | M | 87.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.9 | 0.9 | -176.1 | -58.4 | -47.5 | -57.1 | 0 | 0 | 114.5 | A853 Q854 I864 V869 A872 L892 N895 L896 S899 | A853-M857 VanDerWaalsContact O-CG 3.29Å; A853-M857 WeakPolarHBondContact O-CG 3.5Å; A853-M857 PolarHBondContact O-N 3.05Å; Q854-M857 PolarHBondContact O-N 2.84Å; M857-I864 HydrophobicContact CE-CD1 4.31Å; M857-I864 HydrophobicContact CE-CG2 3.96Å; M857-I864 HydrophobicContact SD-CG2 4.22Å; M857-V869 HydrophobicContact CE-CG2 4.17Å; M857-A872 HydrophobicContact CG-CB 3.84Å; M857-A872 HydrophobicContact SD-CB 3.89Å; M857-L892 HydrophobicContact CB-CD1 4.46Å; M857-L892 HydrophobicContact CG-CD1 3.97Å; M857-N895 HydrophobicContact CB-CB 3.99Å; M857-L896 HydrophobicContact CE-CD1 3.9Å; M857-L896 HydrophobicContact SD-CD1 4.38Å; M857-S899 WeakPolarHBondContact CE-OG 3.46Å |
| 858 | T | 81.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 1.8 | 170.7 | 46.6 | 0 | 0 | 0 | 0 | 113.7 | Q854 Q855 L856 | Q854-T858 WeakPolarHBondContact O-CB 3.37Å; Q854-T858 WeakPolarHBondContact O-CG2 3.38Å; Q854-T858 PolarHBondContact O-N 3.41Å; Q854-T858 VanDerWaalsContact O-N 3.08Å; Q854-T858 PolarHBondContact O-OG1 3.09Å; Q855-T858 WeakPolarHBondContact CA-OG1 3.12Å; Q855-T858 PolarHBondContact O-OG1 3.48Å; L856-T858 PolarHBondContact O-N 3.47Å; L856-T858 VanDerWaalsContact O-N 3.11Å |
| 859 | R | 82.7 | Confident | 85.2 | Confident | 121 Ų | 121 | 60.9 Ų | 60.9 | 46% | 0.457 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -65.4 | 163.4 | 170.4 | -66.7 | 174.4 | 177.3 | 178.8 | 0.3 | 111.4 | L856 C861 I864 | L856-R859 WeakPolarHBondContact O-CB 3.4Å; L856-R859 WeakPolarHBondContact O-CG 3.49Å; L856-R859 PolarHBondContact O-N 3.39Å; L856-R859 VanDerWaalsContact O-N 3.11Å; R859-C861 PolarHBondContact O-N 3.37Å; R859-I864 HydrophobicContact CB-CG1 4.01Å |
| 860 | K | 74.3 | Confident | 85.1 | Confident | 177 Ų | 177 | 62.9 Ų | 62.9 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | trans | -60.5 | 137.1 | 170.1 | -68.9 | -175.4 | 178.3 | -179 | 0 | 109.3 | N862 A863 | K860-N862 PolarHBondContact O-N 3.12Å; K860-A863 PolarHBondContact O-N 2.7Å | ||
| 861 | C | 69.6 | Low | 85.3 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -45.7 | -40.7 | -176.7 | -169 | 0 | 0 | 0 | 0 | 114.1 | R859 A863 I864 L902 | R859-C861 PolarHBondContact O-N 3.37Å; C861-A863 PolarHBondContact O-N 3.41Å; C861-A863 VanDerWaalsContact O-N 3.11Å; C861-I864 PolarHBondContact O-N 2.61Å; C861-L902 HydrophobicContact CB-CD2 3.7Å; C861-L902 HydrophobicContact CB-CG 4.34Å |
| 862 | N | 71.4 | Confident | 85.5 | Confident | 140 Ų | 140 | 63.4 Ų | 63.4 | 75% | 0.749 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -63.2 | -14.1 | -179.4 | -46.6 | 36 | 0 | 0 | 0 | 114.1 | K860 | K860-N862 PolarHBondContact O-N 3.12Š|
| 863 | A | 79.6 | Confident | 85.4 | Confident | 57 Ų | 57 | 63 Ų | 63 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -119.7 | 14.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K860 C861 | K860-A863 PolarHBondContact O-N 2.7Å; C861-A863 PolarHBondContact O-N 3.41Å; C861-A863 VanDerWaalsContact O-N 3.11Å |
| 864 | I | 83.4 | Confident | 85.5 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | trans | -101.7 | 119.4 | 169.6 | -61.9 | 175.3 | 0 | 0 | 0 | 107 | M857 R859 C861 D868 V869 | M857-I864 HydrophobicContact CE-CD1 4.31Å; M857-I864 HydrophobicContact CE-CG2 3.96Å; M857-I864 HydrophobicContact SD-CG2 4.22Å; R859-I864 HydrophobicContact CB-CG1 4.01Å; C861-I864 PolarHBondContact O-N 2.61Å; I864-D868 HydrophobicContact CG2-CB 4.12Å; I864-V869 HydrophobicContact CG2-CG2 3.84Å | ||
| 865 | T | 86.8 | Confident | 85.7 | Confident | 75 Ų | 75 | 67 Ų | 67 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | trans | -91.4 | 168.1 | -178.4 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | A867 D868 V869 | T865-A867 PolarHBondContact O-N 3.02Å; T865-A867 PolarHBondContact OG1-N 3.07Å; T865-D868 WeakPolarHBondContact CA-OD2 3.45Å; T865-D868 VanDerWaalsContact CB-OD2 3.3Å; T865-D868 WeakPolarHBondContact CB-OD2 3.5Å; T865-D868 WeakPolarHBondContact CG2-OD2 3.22Å; T865-D868 PolarHBondContact N-OD2 3.49Å; T865-D868 PolarHBondContact O-N 3Å; T865-D868 VanDerWaalsContact OG1-CG 3.31Å; T865-D868 PolarHBondContact OG1-N 3.49Å; T865-D868 PolarHBondContact OG1-OD2 3.28Å; T865-V869 WeakPolarHBondContact O-CG2 2.85Å; T865-V869 PolarHBondContact O-N 3.05Å | ||
| 866 | E | 85.2 | Confident | 85.8 | Confident | 134 Ų | 134 | 62.9 Ų | 62.9 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -55.1 | -36 | 169.7 | -136.2 | 74.3 | -134.8 | 0 | 0 | 111.9 | Q870 K903 | E866-Q870 WeakPolarHBondContact O-CB 3.18Å; E866-Q870 PolarHBondContact O-N 3.2Å; E866-K903 IonicContact OE1-NZ 3.17Å; E866-K903 PolarHBondContact OE1-NZ 2.81Å; E866-K903 IonicContact OE2-NZ 2.71Å; E866-K903 PolarHBondContact OE2-NZ 3.16Å |
| 867 | A | 88.7 | Confident | 85.7 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.8 | -39.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T865 V869 Q870 Y871 | T865-A867 PolarHBondContact O-N 3.02Å; T865-A867 PolarHBondContact OG1-N 3.07Å; A867-V869 VanDerWaalsContact C-N 3.33Å; A867-V869 PolarHBondContact O-N 3.01Å; A867-Q870 PolarHBondContact O-N 2.86Å; A867-Y871 WeakPolarHBondContact O-CB 3.3Å; A867-Y871 PolarHBondContact O-N 3.39Å |
| 868 | D | 90.7 | Very high | 85.7 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 174.8 | -59.8 | -67.4 | 0 | 0 | 0 | 110.9 | I864 T865 Q870 Y871 A872 | I864-D868 HydrophobicContact CG2-CB 4.12Å; T865-D868 WeakPolarHBondContact CA-OD2 3.45Å; T865-D868 VanDerWaalsContact CB-OD2 3.3Å; T865-D868 WeakPolarHBondContact CB-OD2 3.5Å; T865-D868 WeakPolarHBondContact CG2-OD2 3.22Å; T865-D868 PolarHBondContact N-OD2 3.49Å; T865-D868 PolarHBondContact O-N 3Å; T865-D868 VanDerWaalsContact OG1-CG 3.31Å; T865-D868 PolarHBondContact OG1-N 3.49Å; T865-D868 PolarHBondContact OG1-OD2 3.28Å; D868-Q870 VanDerWaalsContact C-N 3.3Å; D868-Q870 PolarHBondContact O-N 3.38Å; D868-Y871 PolarHBondContact O-N 3.36Å; D868-A872 WeakPolarHBondContact O-CB 3.21Å; D868-A872 PolarHBondContact O-N 3.03Å |
| 869 | V | 89.3 | Confident | 85.8 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | M857 I864 T865 A867 K873 L896 V900 | M857-V869 HydrophobicContact CE-CG2 4.17Å; I864-V869 HydrophobicContact CG2-CG2 3.84Å; T865-V869 WeakPolarHBondContact O-CG2 2.85Å; T865-V869 PolarHBondContact O-N 3.05Å; A867-V869 VanDerWaalsContact C-N 3.33Å; A867-V869 PolarHBondContact O-N 3.01Å; V869-K873 WeakPolarHBondContact O-CG 3.29Å; V869-K873 PolarHBondContact O-N 3.06Å; V869-L896 HydrophobicContact CG1-CD1 3.99Å; V869-V900 HydrophobicContact CG1-CG2 4.09Å |
| 870 | Q | 91.6 | Very high | 85.7 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74 | -44.6 | 178.8 | -177.9 | 55 | 27.6 | 0 | 0 | 112.1 | E866 A867 D868 A872 K873 E874 | E866-Q870 WeakPolarHBondContact O-CB 3.18Å; E866-Q870 PolarHBondContact O-N 3.2Å; A867-Q870 PolarHBondContact O-N 2.86Å; D868-Q870 VanDerWaalsContact C-N 3.3Å; D868-Q870 PolarHBondContact O-N 3.38Å; Q870-A872 VanDerWaalsContact C-N 3.32Å; Q870-A872 PolarHBondContact O-N 3.27Å; Q870-K873 WeakPolarHBondContact O-CB 3.25Å; Q870-K873 PolarHBondContact O-N 3.11Å; Q870-K873 VanDerWaalsContact O-N 3.1Å; Q870-E874 WeakPolarHBondContact CG-OE1 3.35Å; Q870-E874 PolarHBondContact NE2-OE1 3.39Å; Q870-E874 PolarHBondContact O-N 3.39Å |
| 871 | Y | 93.8 | Very high | 85.9 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 174.2 | 179 | -123.9 | 0 | 0 | 0 | 112 | N849 E852 L856 A867 D868 K873 E874 V875 | N849-Y871 PolarHBondContact ND2-OH 3.1Å; E852-Y871 HydrophobicContact CG-CE1 4.3Å; E852-Y871 WeakPolarHBondContact OE2-CE1 2.77Å; E852-Y871 PolarHBondContact OE2-OH 2.9Å; L856-Y871 HydrophobicContact CD1-CD1 3.67Å; L856-Y871 HydrophobicContact CD1-CE1 4.06Å; A867-Y871 WeakPolarHBondContact O-CB 3.3Å; A867-Y871 PolarHBondContact O-N 3.39Å; D868-Y871 PolarHBondContact O-N 3.36Å; Y871-K873 VanDerWaalsContact C-N 3.28Å; Y871-K873 PolarHBondContact O-N 3.03Å; Y871-E874 PolarHBondContact O-N 2.94Å; Y871-E874 VanDerWaalsContact O-N 3.16Å; Y871-V875 HydrophobicContact CD2-CG2 4.08Å; Y871-V875 HydrophobicContact CE1-CG2 4.28Å; Y871-V875 HydrophobicContact CE2-CG2 3.69Å; Y871-V875 WeakPolarHBondContact O-CG2 3.4Å; Y871-V875 PolarHBondContact O-N 3.27Å |
| 872 | A | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -34.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A853 M857 D868 Q870 L876 L892 L896 | A853-A872 HydrophobicContact CB-CB 4.5Å; M857-A872 HydrophobicContact CG-CB 3.84Å; M857-A872 HydrophobicContact SD-CB 3.89Å; D868-A872 WeakPolarHBondContact O-CB 3.21Å; D868-A872 PolarHBondContact O-N 3.03Å; Q870-A872 VanDerWaalsContact C-N 3.32Å; Q870-A872 PolarHBondContact O-N 3.27Å; A872-L876 WeakPolarHBondContact O-CB 3.2Å; A872-L876 PolarHBondContact O-N 2.93Å; A872-L892 HydrophobicContact CB-CD1 4.21Å; A872-L896 HydrophobicContact CB-CD1 4.04Å; A872-L896 HydrophobicContact CB-CD2 4.39Å |
| 873 | K | 91.2 | Very high | 86.7 | Confident | 88 Ų | 88 | 56 Ų | 56 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.8 | -45.8 | 172.2 | -68.4 | 166.2 | -171.6 | 168.3 | 0 | 111.6 | V869 Q870 Y871 V875 L876 D877 L896 | V869-K873 WeakPolarHBondContact O-CG 3.29Å; V869-K873 PolarHBondContact O-N 3.06Å; Q870-K873 WeakPolarHBondContact O-CB 3.25Å; Q870-K873 PolarHBondContact O-N 3.11Å; Q870-K873 VanDerWaalsContact O-N 3.1Å; Y871-K873 VanDerWaalsContact C-N 3.28Å; Y871-K873 PolarHBondContact O-N 3.03Å; K873-V875 VanDerWaalsContact C-N 3.34Å; K873-V875 PolarHBondContact O-N 2.93Å; K873-L876 CarbonylContact O-C 3.56Å; K873-L876 WeakPolarHBondContact O-CA 3.14Å; K873-L876 WeakPolarHBondContact O-CB 3.37Å; K873-L876 PolarHBondContact O-N 2.98Å; K873-L876 VanDerWaalsContact O-N 3.11Å; K873-D877 PolarHBondContact O-N 3.25Å; K873-L896 HydrophobicContact CG-CD2 4Å |
| 874 | E | 92.8 | Very high | 86.6 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 49% | 0.486 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | -178.4 | -72.6 | 167.8 | -164.8 | 0 | 0 | 112.2 | Q870 Y871 D877 R878 | Q870-E874 WeakPolarHBondContact CG-OE1 3.35Å; Q870-E874 PolarHBondContact NE2-OE1 3.39Å; Q870-E874 PolarHBondContact O-N 3.39Å; Y871-E874 PolarHBondContact O-N 2.94Å; Y871-E874 VanDerWaalsContact O-N 3.16Å; E874-D877 PolarHBondContact O-N 3.13Å; E874-R878 WeakPolarHBondContact O-CB 3.45Å; E874-R878 PolarHBondContact O-N 2.82Å |
| 875 | V | 92.1 | Very high | 86.5 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 171.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | L846 N849 L850 A853 Y871 K873 S879 L892 | L846-V875 HydrophobicContact CD1-CG1 4.42Å; N849-V875 HydrophobicContact CB-CG1 4.37Å; N849-V875 HydrophobicContact CB-CG2 4.05Å; L850-V875 HydrophobicContact CB-CG1 4.47Å; L850-V875 HydrophobicContact CD1-CG1 3.68Å; L850-V875 HydrophobicContact CG-CG1 4.21Å; A853-V875 HydrophobicContact CB-CB 4.44Å; A853-V875 HydrophobicContact CB-CG1 4.3Å; A853-V875 HydrophobicContact CB-CG2 4.5Å; Y871-V875 HydrophobicContact CD2-CG2 4.08Å; Y871-V875 HydrophobicContact CE1-CG2 4.28Å; Y871-V875 HydrophobicContact CE2-CG2 3.69Å; Y871-V875 WeakPolarHBondContact O-CG2 3.4Å; Y871-V875 PolarHBondContact O-N 3.27Å; K873-V875 VanDerWaalsContact C-N 3.34Å; K873-V875 PolarHBondContact O-N 2.93Å; V875-S879 PolarHBondContact O-N 2.92Å; V875-L892 HydrophobicContact CG1-CD2 4.16Å |
| 876 | L | 88.2 | Confident | 86.3 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 174 | -95.1 | 162.7 | 0 | 0 | 0 | 113.2 | A872 K873 S879 L889 L892 Q893 L896 | A872-L876 WeakPolarHBondContact O-CB 3.2Å; A872-L876 PolarHBondContact O-N 2.93Å; K873-L876 CarbonylContact O-C 3.56Å; K873-L876 WeakPolarHBondContact O-CA 3.14Å; K873-L876 WeakPolarHBondContact O-CB 3.37Å; K873-L876 PolarHBondContact O-N 2.98Å; K873-L876 VanDerWaalsContact O-N 3.11Å; L876-S879 WeakPolarHBondContact O-CB 3.02Å; L876-S879 PolarHBondContact O-OG 3.25Å; L876-L889 HydrophobicContact CD2-CD1 3.9Å; L876-L889 HydrophobicContact CD2-CG 4.34Å; L876-L892 HydrophobicContact CD1-CD2 4.37Å; L876-L892 HydrophobicContact CD1-CG 4.07Å; L876-L892 HydrophobicContact CG-CD2 4.02Å; L876-L892 HydrophobicContact CG-CG 4.23Å; L876-Q893 HydrophobicContact CD1-CB 4.31Å; L876-Q893 HydrophobicContact CD1-CG 4.48Å; L876-Q893 HydrophobicContact CD2-CB 4.29Å; L876-L896 HydrophobicContact CD1-CD2 3.62Å |
| 877 | D | 86.9 | Confident | 86.2 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72.7 | -44.3 | 176.3 | -83.7 | -34.8 | 0 | 0 | 0 | 111.8 | K873 E874 S879 K880 | K873-D877 PolarHBondContact O-N 3.25Å; E874-D877 PolarHBondContact O-N 3.13Å; D877-S879 PolarHBondContact O-N 3.27Å; D877-K880 WeakPolarHBondContact O-CB 3.5Å; D877-K880 PolarHBondContact O-N 2.99Å; D877-K880 VanDerWaalsContact OD1-CE 3.29Å; D877-K880 WeakPolarHBondContact OD1-CE 3.35Å; D877-K880 IonicContact OD1-NZ 3.78Å; D877-K880 PolarHBondContact OD1-NZ 3.23Å |
| 878 | R | 87.3 | Confident | 85.8 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.8 | -34 | 173.1 | -173.1 | 176.2 | 175.4 | -174.3 | -0.7 | 111.6 | D842 L846 E874 K880 A881 F882 | D842-R878 IonicContact OD1-NH2 2.62Å; D842-R878 PolarHBondContact OD1-NH2 2.91Å; D842-R878 VanDerWaalsContact OD1-NH2 3.1Å; L846-R878 HydrophobicContact CD1-CB 4.24Å; L846-R878 HydrophobicContact CD1-CG 4.12Å; E874-R878 WeakPolarHBondContact O-CB 3.45Å; E874-R878 PolarHBondContact O-N 2.82Å; R878-K880 PolarHBondContact O-N 2.66Å; R878-A881 PolarHBondContact O-N 3.39Å; R878-F882 HydrophobicContact CG-CE2 4.45Å |
| 879 | S | 85.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -28.1 | 175.7 | 86.9 | 0 | 0 | 0 | 0 | 114.3 | V875 L876 D877 A881 F882 L889 | V875-S879 PolarHBondContact O-N 2.92Å; L876-S879 WeakPolarHBondContact O-CB 3.02Å; L876-S879 PolarHBondContact O-OG 3.25Å; D877-S879 PolarHBondContact O-N 3.27Å; S879-A881 VanDerWaalsContact C-N 3.25Å; S879-A881 PolarHBondContact O-N 3.16Å; S879-F882 PolarHBondContact O-N 2.83Å; S879-L889 WeakPolarHBondContact OG-CD1 3.34Å |
| 880 | K | 78.9 | Confident | 85.2 | Confident | 109 Ų | 109 | 54.1 Ų | 54.1 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.6 | -174.1 | -65.3 | 169.2 | -172 | 173.6 | 0 | 112.7 | R802 D877 R878 F882 | R802-K880 PolarHBondContact NH1-O 3.09Å; R802-K880 PolarHBondContact NH2-O 3.44Å; D877-K880 WeakPolarHBondContact O-CB 3.5Å; D877-K880 PolarHBondContact O-N 2.99Å; D877-K880 VanDerWaalsContact OD1-CE 3.29Å; D877-K880 WeakPolarHBondContact OD1-CE 3.35Å; D877-K880 IonicContact OD1-NZ 3.78Å; D877-K880 PolarHBondContact OD1-NZ 3.23Å; R878-K880 PolarHBondContact O-N 2.66Å; K880-F882 VanDerWaalsContact C-N 3.32Å; K880-F882 PolarHBondContact O-N 2.78Å |
| 881 | A | 78.9 | Confident | 84.7 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -23.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S794 R878 S879 | S794-A881 PolarHBondContact N-O 2.84Å; R878-A881 PolarHBondContact O-N 3.39Å; S879-A881 VanDerWaalsContact C-N 3.25Å; S879-A881 PolarHBondContact O-N 3.16Å |
| 882 | F | 78.9 | Confident | 84.5 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -101.4 | 140.5 | -175.8 | -54.8 | -82.3 | 0 | 0 | 0 | 111.5 | R802 L839 V843 L846 R878 S879 K880 L884 | R802-F882 PolarHBondContact NH2-O 2.96Å; L839-F882 HydrophobicContact CD1-CD1 4.1Å; L839-F882 HydrophobicContact CD1-CE1 3.75Å; V843-F882 HydrophobicContact CG2-CB 4.48Å; V843-F882 HydrophobicContact CG2-CD1 3.49Å; V843-F882 VanDerWaalsContact CG2-CD1 3.49Å; V843-F882 HydrophobicContact CG2-CE1 3.79Å; V843-F882 HydrophobicContact CG2-CG 3.94Å; V843-F882 HydrophobicContact CG2-CZ 4.48Å; L846-F882 HydrophobicContact CD2-CD2 3.5Å; L846-F882 HydrophobicContact CD2-CE2 3.74Å; L846-F882 HydrophobicContact CD2-CG 4.46Å; R878-F882 HydrophobicContact CG-CE2 4.45Å; S879-F882 PolarHBondContact O-N 2.83Å; K880-F882 VanDerWaalsContact C-N 3.32Å; K880-F882 PolarHBondContact O-N 2.78Å; F882-L884 PolarHBondContact O-N 3.21Å |
| 883 | N | 78.5 | Confident | 84.4 | Confident | 33 Ų | 33 | 54 Ų | 54 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | trans | -100.3 | 49.4 | -179.6 | -166.8 | 35.4 | 0 | 0 | 0 | 112.2 | R791 L792 L810 | R791-N883 VanDerWaalsContact O-CB 3.31Å; R791-N883 WeakPolarHBondContact O-CB 3.27Å; R791-N883 PolarHBondContact O-ND2 3.02Å; L792-N883 PolarHBondContact O-N 3.44Å; L792-N883 VanDerWaalsContact O-N 3.15Å; L810-N883 VanDerWaalsContact CD2-OD1 3.31Å; L810-N883 WeakPolarHBondContact CD2-OD1 3.25Å | ||
| 884 | L | 78.9 | Confident | 84.1 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -123.2 | 160.1 | -172.6 | -79 | 169.8 | 0 | 0 | 0 | 112.5 | L792 L811 V816 V843 F882 L886 | L792-L884 HydrophobicContact CD2-CD1 4.09Å; L792-L884 HydrophobicContact CD2-CD2 3.42Å; L792-L884 VanDerWaalsContact CD2-CD2 3.42Å; L792-L884 HydrophobicContact CD2-CG 3.67Å; L811-L884 HydrophobicContact CB-CD2 3.85Å; L811-L884 WeakPolarHBondContact O-CD2 3.5Å; V816-L884 HydrophobicContact CG2-CD2 4Å; V843-L884 HydrophobicContact CB-CD1 4.26Å; V843-L884 HydrophobicContact CG1-CD1 3.78Å; V843-L884 HydrophobicContact CG2-CD1 3.72Å; F882-L884 PolarHBondContact O-N 3.21Å; L884-L886 HydrophobicContact CB-CD2 4.11Å; L884-L886 PolarHBondContact O-N 3.24Å |
| 885 | R | 81.6 | Confident | 83.8 | Confident | 99 Ų | 99 | 48.6 Ų | 48.6 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | trans | -83.7 | 95.6 | 170.8 | -166.2 | -175.8 | -50.1 | 174.8 | 12.8 | 109.7 | Q807 E808 L810 L811 | Q807-R885 HydrophobicContact CB-CG 4.43Å; Q807-R885 PolarHBondContact O-NE 2.91Å; Q807-R885 VanDerWaalsContact O-NE 3.1Å; Q807-R885 PolarHBondContact O-NH2 3.11Å; E808-R885 PolarHBondContact O-NH2 2.67Å; L810-R885 HydrophobicContact CB-CB 4.2Å; L810-R885 PolarHBondContact O-NE 3.33Å; L810-R885 PolarHBondContact O-NH2 3.37Å; L811-R885 WeakPolarHBondContact O-CB 3.38Å; L811-R885 PolarHBondContact O-N 3.49Å | ||
| 886 | L | 82.4 | Confident | 83.7 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | trans | -89.9 | 126.1 | 176.4 | -49.7 | 175.2 | 0 | 0 | 0 | 109.3 | V843 L846 L850 L884 | V843-L886 HydrophobicContact CG1-CD2 3.77Å; L846-L886 HydrophobicContact CD2-CD1 3.73Å; L850-L886 HydrophobicContact CD2-CB 4.36Å; L884-L886 HydrophobicContact CB-CD2 4.11Å; L884-L886 PolarHBondContact O-N 3.24Å | ||
| 887 | S | 82.3 | Confident | 83.7 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 141.3 | 179.2 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | Q847 L850 L889 | Q847-S887 VanDerWaalsContact NE2-N 3.14Å; Q847-S887 PolarHBondContact NE2-OG 2.78Å; L850-S887 WeakPolarHBondContact CD2-O 3.44Å; S887-L889 VanDerWaalsContact C-N 3.28Å; S887-L889 PolarHBondContact O-N 3.26Å |
| 888 | G | 80.8 | Confident | 83.8 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -4.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | Q854 R890 E891 L892 | Q854-G888 VanDerWaalsContact NE2-CA 3.32Å; G888-R890 VanDerWaalsContact C-N 3.28Å; G888-R890 PolarHBondContact O-N 3.03Å; G888-E891 VanDerWaalsContact CA-OE2 3.3Å; G888-E891 WeakPolarHBondContact CA-OE2 3.44Å; G888-E891 PolarHBondContact O-N 2.79Å; G888-L892 WeakPolarHBondContact O-CB 3.44Å; G888-L892 PolarHBondContact O-N 2.94Å |
| 889 | L | 84.1 | Confident | 83.7 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -39.3 | -178.9 | -167.5 | 77.1 | 0 | 0 | 0 | 112.5 | L850 L876 S879 S887 Q893 | L850-L889 HydrophobicContact CD1-CD1 4.03Å; L850-L889 HydrophobicContact CD2-CB 4Å; L850-L889 HydrophobicContact CD2-CD1 3.99Å; L850-L889 HydrophobicContact CG-CD1 4.49Å; L876-L889 HydrophobicContact CD2-CD1 3.9Å; L876-L889 HydrophobicContact CD2-CG 4.34Å; S879-L889 WeakPolarHBondContact OG-CD1 3.34Å; S887-L889 VanDerWaalsContact C-N 3.28Å; S887-L889 PolarHBondContact O-N 3.26Å; L889-Q893 WeakPolarHBondContact O-CB 3.46Å; L889-Q893 PolarHBondContact O-N 2.94Å; L889-Q893 VanDerWaalsContact O-N 3.12Å |
| 890 | R | 82.2 | Confident | 83.9 | Confident | 144 Ų | 144 | 48.8 Ų | 48.8 | 54% | 0.543 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -74.8 | -43.4 | -176.2 | -159 | -179.9 | -165.5 | -172.3 | 2.8 | 110.7 | G888 Q893 Q894 | G888-R890 VanDerWaalsContact C-N 3.28Å; G888-R890 PolarHBondContact O-N 3.03Å; R890-Q893 PolarHBondContact O-N 2.85Å; R890-Q894 WeakPolarHBondContact O-CG 3.37Å; R890-Q894 PolarHBondContact O-N 3.34Å |
| 891 | E | 83 | Confident | 84.4 | Confident | 43 Ų | 43 | 44 Ų | 44 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | 175.9 | -62 | 90.4 | 153.9 | 0 | 0 | 111.7 | G888 N895 | G888-E891 VanDerWaalsContact CA-OE2 3.3Å; G888-E891 WeakPolarHBondContact CA-OE2 3.44Å; G888-E891 PolarHBondContact O-N 2.79Å; E891-N895 VanDerWaalsContact O-CB 3.29Å; E891-N895 WeakPolarHBondContact O-CB 3.16Å; E891-N895 VanDerWaalsContact O-CG 3.3Å; E891-N895 PolarHBondContact O-N 2.96Å; E891-N895 PolarHBondContact O-ND2 2.98Å |
| 892 | L | 89.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 172 | 179.2 | 54.6 | 0 | 0 | 0 | 110.8 | L850 A853 Q854 M857 A872 V875 L876 G888 Q894 N895 L896 | L850-L892 HydrophobicContact CG-CD2 4.14Å; A853-L892 HydrophobicContact CB-CD1 3.76Å; A853-L892 HydrophobicContact CB-CD2 3.84Å; A853-L892 HydrophobicContact CB-CG 4.48Å; Q854-L892 HydrophobicContact CG-CB 3.8Å; Q854-L892 HydrophobicContact CG-CD1 4.42Å; M857-L892 HydrophobicContact CB-CD1 4.46Å; M857-L892 HydrophobicContact CG-CD1 3.97Å; A872-L892 HydrophobicContact CB-CD1 4.21Å; V875-L892 HydrophobicContact CG1-CD2 4.16Å; L876-L892 HydrophobicContact CD1-CD2 4.37Å; L876-L892 HydrophobicContact CD1-CG 4.07Å; L876-L892 HydrophobicContact CG-CD2 4.02Å; L876-L892 HydrophobicContact CG-CG 4.23Å; G888-L892 WeakPolarHBondContact O-CB 3.44Å; G888-L892 PolarHBondContact O-N 2.94Å; L892-Q894 PolarHBondContact O-N 3.08Å; L892-N895 PolarHBondContact O-N 3.25Å; L892-L896 WeakPolarHBondContact O-CB 3.4Å; L892-L896 PolarHBondContact O-N 2.96Å |
| 893 | Q | 88.5 | Confident | 85.1 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 45% | 0.453 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.5 | -43.5 | -179.6 | -165.3 | 171.7 | 7.3 | 0 | 0 | 112.1 | L876 L889 R890 Q897 | L876-Q893 HydrophobicContact CD1-CB 4.31Å; L876-Q893 HydrophobicContact CD1-CG 4.48Å; L876-Q893 HydrophobicContact CD2-CB 4.29Å; L889-Q893 WeakPolarHBondContact O-CB 3.46Å; L889-Q893 PolarHBondContact O-N 2.94Å; L889-Q893 VanDerWaalsContact O-N 3.12Å; R890-Q893 PolarHBondContact O-N 2.85Å; Q893-Q897 WeakPolarHBondContact O-CG 3.3Å; Q893-Q897 PolarHBondContact O-N 3.44Å; Q893-Q897 VanDerWaalsContact O-N 3.08Å; Q893-Q897 PolarHBondContact O-OE1 2.66Å |
| 894 | Q | 85.8 | Confident | 85.5 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 176 | -72.8 | 176.6 | -59.3 | 0 | 0 | 112.7 | R890 L892 L896 Q897 F898 M935 | R890-Q894 WeakPolarHBondContact O-CG 3.37Å; R890-Q894 PolarHBondContact O-N 3.34Å; L892-Q894 PolarHBondContact O-N 3.08Å; Q894-L896 VanDerWaalsContact C-N 3.32Å; Q894-L896 PolarHBondContact O-N 2.89Å; Q894-Q897 PolarHBondContact O-N 3.4Å; Q894-F898 WeakPolarHBondContact O-CB 3.21Å; Q894-F898 PolarHBondContact O-N 2.98Å; Q894-M935 HydrophobicContact CB-SD 4.21Å |
| 895 | N | 86.5 | Confident | 85.9 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 178.7 | -72.1 | -55.8 | 0 | 0 | 0 | 111.7 | M857 E891 L892 F898 S899 K938 | M857-N895 HydrophobicContact CB-CB 3.99Å; E891-N895 VanDerWaalsContact O-CB 3.29Å; E891-N895 WeakPolarHBondContact O-CB 3.16Å; E891-N895 VanDerWaalsContact O-CG 3.3Å; E891-N895 PolarHBondContact O-N 2.96Å; E891-N895 PolarHBondContact O-ND2 2.98Å; L892-N895 PolarHBondContact O-N 3.25Å; N895-F898 PolarHBondContact O-N 3.46Å; N895-S899 WeakPolarHBondContact O-CB 3.4Å; N895-S899 PolarHBondContact O-N 2.92Å; N895-S899 PolarHBondContact O-OG 3.23Å; N895-K938 PolarHBondContact OD1-NZ 3.39Å |
| 896 | L | 89.5 | Confident | 86.1 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 9% | 0.089 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 173.2 | 179.7 | 60.4 | 0 | 0 | 0 | 112 | M857 V869 A872 K873 L876 L892 Q894 S899 V900 | M857-L896 HydrophobicContact CE-CD1 3.9Å; M857-L896 HydrophobicContact SD-CD1 4.38Å; V869-L896 HydrophobicContact CG1-CD1 3.99Å; A872-L896 HydrophobicContact CB-CD1 4.04Å; A872-L896 HydrophobicContact CB-CD2 4.39Å; K873-L896 HydrophobicContact CG-CD2 4Å; L876-L896 HydrophobicContact CD1-CD2 3.62Å; L892-L896 WeakPolarHBondContact O-CB 3.4Å; L892-L896 PolarHBondContact O-N 2.96Å; Q894-L896 VanDerWaalsContact C-N 3.32Å; Q894-L896 PolarHBondContact O-N 2.89Å; L896-S899 PolarHBondContact O-N 3.38Å; L896-V900 HydrophobicContact CD1-CG2 4.48Å; L896-V900 WeakPolarHBondContact O-CG2 3.43Å; L896-V900 PolarHBondContact O-N 3.06Å; L896-V900 VanDerWaalsContact O-N 3.1Å |
| 897 | Q | 88.1 | Confident | 86.2 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61 | -44.9 | 176.3 | -70 | 176.8 | -66.1 | 0 | 0 | 111.4 | Q893 Q894 S899 V900 W901 L933 | Q893-Q897 WeakPolarHBondContact O-CG 3.3Å; Q893-Q897 PolarHBondContact O-N 3.44Å; Q893-Q897 VanDerWaalsContact O-N 3.08Å; Q893-Q897 PolarHBondContact O-OE1 2.66Å; Q894-Q897 PolarHBondContact O-N 3.4Å; Q897-S899 PolarHBondContact O-N 2.78Å; Q897-V900 PolarHBondContact O-N 3.15Å; Q897-W901 WeakPolarHBondContact O-CB 3.44Å; Q897-W901 PolarHBondContact O-N 2.91Å; Q897-L933 HydrophobicContact CB-CD2 3.6Å |
| 898 | F | 88.9 | Confident | 86.2 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 176.4 | 172.7 | -96.1 | 0 | 0 | 0 | 113.1 | Q894 N895 W901 L902 L933 M935 K938 T939 | Q894-F898 WeakPolarHBondContact O-CB 3.21Å; Q894-F898 PolarHBondContact O-N 2.98Å; N895-F898 PolarHBondContact O-N 3.46Å; F898-W901 HydrophobicContact CD2-CE3 4.06Å; F898-W901 HydrophobicContact CD2-CZ3 4.29Å; F898-W901 HydrophobicContact CE2-CE3 4.07Å; F898-W901 AromaticContact CE2-CZ3 3.88Å; F898-W901 HydrophobicContact CE2-CZ3 3.88Å; F898-W901 PolarHBondContact O-N 2.91Å; F898-L902 HydrophobicContact CE1-CB 4.47Å; F898-L902 HydrophobicContact CE1-CD2 3.73Å; F898-L902 HydrophobicContact CZ-CB 4.41Å; F898-L902 HydrophobicContact CZ-CD2 3.74Å; F898-L902 HydrophobicContact CZ-CG 4.49Å; F898-L902 WeakPolarHBondContact O-CB 3.3Å; F898-L902 PolarHBondContact O-N 3.28Å; F898-L933 HydrophobicContact CB-CD1 4.27Å; F898-L933 HydrophobicContact CD2-CD1 4.07Å; F898-M935 HydrophobicContact CB-SD 3.87Å; F898-M935 HydrophobicContact CD2-SD 4.45Å; F898-M935 HydrophobicContact CG-SD 4.28Å; F898-K938 HydrophobicContact CD1-CD 4.24Å; F898-K938 HydrophobicContact CD2-CB 4.16Å; F898-K938 HydrophobicContact CE1-CB 4.34Å; F898-K938 HydrophobicContact CE1-CD 4.03Å; F898-K938 HydrophobicContact CE2-CB 3.47Å; F898-K938 VanDerWaalsContact CE2-CB 3.47Å; F898-K938 HydrophobicContact CE2-CD 4.39Å; F898-K938 HydrophobicContact CZ-CB 3.59Å; F898-K938 HydrophobicContact CZ-CD 4.12Å; F898-K938 HydrophobicContact CZ-CG 4.47Å; F898-T939 HydrophobicContact CD2-CG2 3.93Å; F898-T939 HydrophobicContact CE2-CG2 3.89Å |
| 899 | S | 86.1 | Confident | 86.3 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -37.1 | 179.2 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | M857 N895 L896 Q897 K903 | M857-S899 WeakPolarHBondContact CE-OG 3.46Å; N895-S899 WeakPolarHBondContact O-CB 3.4Å; N895-S899 PolarHBondContact O-N 2.92Å; N895-S899 PolarHBondContact O-OG 3.23Å; L896-S899 PolarHBondContact O-N 3.38Å; Q897-S899 PolarHBondContact O-N 2.78Å; S899-K903 PolarHBondContact O-N 3.31Å; S899-K903 VanDerWaalsContact O-N 3.13Å |
| 900 | V | 87.9 | Confident | 85.9 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.5 | -49.9 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | V869 L896 Q897 L902 K903 H904 | V869-V900 HydrophobicContact CG1-CG2 4.09Å; L896-V900 HydrophobicContact CD1-CG2 4.48Å; L896-V900 WeakPolarHBondContact O-CG2 3.43Å; L896-V900 PolarHBondContact O-N 3.06Å; L896-V900 VanDerWaalsContact O-N 3.1Å; Q897-V900 PolarHBondContact O-N 3.15Å; V900-L902 PolarHBondContact O-N 2.92Å; V900-K903 PolarHBondContact O-N 3.16Å; V900-H904 PolarHBondContact O-N 3.39Å; V900-H904 VanDerWaalsContact O-N 3.17Å |
| 901 | W | 91.3 | Very high | 85.1 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 175.4 | 171.5 | 77.5 | 0 | 0 | 0 | 112.5 | Q897 F898 K903 H904 A905 I926 G930 L933 T939 T942 L943 L946 | Q897-W901 WeakPolarHBondContact O-CB 3.44Å; Q897-W901 PolarHBondContact O-N 2.91Å; F898-W901 HydrophobicContact CD2-CE3 4.06Å; F898-W901 HydrophobicContact CD2-CZ3 4.29Å; F898-W901 HydrophobicContact CE2-CE3 4.07Å; F898-W901 AromaticContact CE2-CZ3 3.88Å; F898-W901 HydrophobicContact CE2-CZ3 3.88Å; F898-W901 PolarHBondContact O-N 2.91Å; W901-K903 VanDerWaalsContact C-N 3.29Å; W901-K903 PolarHBondContact O-N 3.04Å; W901-H904 CarbonylContact O-C 3.36Å; W901-H904 WeakPolarHBondContact O-CA 3.36Å; W901-H904 VanDerWaalsContact O-CB 3.3Å; W901-H904 WeakPolarHBondContact O-CB 3.46Å; W901-H904 PolarHBondContact O-N 2.98Å; W901-A905 HydrophobicContact CZ2-CB 4.2Å; W901-A905 WeakPolarHBondContact O-CB 3.44Å; W901-A905 PolarHBondContact O-N 2.97Å; W901-I926 PolarHBondContact NE1-O 3.35Å; W901-G930 VanDerWaalsContact NE1-CA 3.3Å; W901-L933 HydrophobicContact CB-CD1 3.91Å; W901-L933 HydrophobicContact CD2-CD1 3.82Å; W901-L933 HydrophobicContact CE3-CD1 3.85Å; W901-L933 HydrophobicContact CG-CD1 3.85Å; W901-T939 HydrophobicContact CE3-CG2 4.28Å; W901-T939 HydrophobicContact CH2-CG2 4.07Å; W901-T939 HydrophobicContact CZ3-CG2 3.77Å; W901-T942 HydrophobicContact CH2-CG2 4.02Å; W901-L943 HydrophobicContact CH2-CG 4.27Å; W901-L943 HydrophobicContact CZ2-CD2 3.97Å; W901-L943 HydrophobicContact CZ2-CG 4.23Å; W901-L946 HydrophobicContact CZ2-CD1 4.14Å |
| 902 | L | 87.3 | Confident | 83.9 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -33.4 | -177.6 | -178.1 | 61.5 | 0 | 0 | 0 | 112 | C861 F898 V900 H904 Q906 T942 | C861-L902 HydrophobicContact CB-CD2 3.7Å; C861-L902 HydrophobicContact CB-CG 4.34Å; F898-L902 HydrophobicContact CE1-CB 4.47Å; F898-L902 HydrophobicContact CE1-CD2 3.73Å; F898-L902 HydrophobicContact CZ-CB 4.41Å; F898-L902 HydrophobicContact CZ-CD2 3.74Å; F898-L902 HydrophobicContact CZ-CG 4.49Å; F898-L902 WeakPolarHBondContact O-CB 3.3Å; F898-L902 PolarHBondContact O-N 3.28Å; V900-L902 PolarHBondContact O-N 2.92Å; L902-H904 VanDerWaalsContact C-N 3.35Å; L902-Q906 HydrophobicContact CD1-CG 4.19Å; L902-Q906 HydrophobicContact CG-CG 4.48Å; L902-Q906 VanDerWaalsContact O-CB 3.29Å; L902-Q906 WeakPolarHBondContact O-CB 3.4Å; L902-Q906 VanDerWaalsContact O-CG 3.25Å; L902-Q906 WeakPolarHBondContact O-CG 3.45Å; L902-Q906 PolarHBondContact O-N 2.85Å; L902-T942 HydrophobicContact CD1-CG2 4.11Å |
| 903 | K | 84.6 | Confident | 82.1 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 171.3 | -171.9 | -178.1 | 179.3 | -178.2 | 0 | 111 | E866 S899 V900 W901 T907 | E866-K903 IonicContact OE1-NZ 3.17Å; E866-K903 PolarHBondContact OE1-NZ 2.81Å; E866-K903 IonicContact OE2-NZ 2.71Å; E866-K903 PolarHBondContact OE2-NZ 3.16Å; S899-K903 PolarHBondContact O-N 3.31Å; S899-K903 VanDerWaalsContact O-N 3.13Å; V900-K903 PolarHBondContact O-N 3.16Å; W901-K903 VanDerWaalsContact C-N 3.29Å; W901-K903 PolarHBondContact O-N 3.04Å; K903-T907 PolarHBondContact O-N 3.47Å; K903-T907 PolarHBondContact O-OG1 3.13Å |
| 904 | H | 86.3 | Confident | 80.3 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 46% | 0.458 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -52 | 176.7 | -154.7 | -161.6 | 0 | 0 | 0 | 111.5 | V900 W901 L902 Q906 T907 A908 E929 | V900-H904 PolarHBondContact O-N 3.39Å; V900-H904 VanDerWaalsContact O-N 3.17Å; W901-H904 CarbonylContact O-C 3.36Å; W901-H904 WeakPolarHBondContact O-CA 3.36Å; W901-H904 VanDerWaalsContact O-CB 3.3Å; W901-H904 WeakPolarHBondContact O-CB 3.46Å; W901-H904 PolarHBondContact O-N 2.98Å; L902-H904 VanDerWaalsContact C-N 3.35Å; H904-Q906 PolarHBondContact O-N 2.89Å; H904-T907 WeakPolarHBondContact O-CB 3.47Å; H904-T907 PolarHBondContact O-N 3.14Å; H904-T907 VanDerWaalsContact O-N 3.09Å; H904-A908 PolarHBondContact O-N 3.16Å; H904-A908 VanDerWaalsContact O-N 3.14Å; H904-E929 IonicContact ND1-OE2 2.76Å |
| 905 | A | 88.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W901 T907 A908 L909 I926 T942 L946 | W901-A905 HydrophobicContact CZ2-CB 4.2Å; W901-A905 WeakPolarHBondContact O-CB 3.44Å; W901-A905 PolarHBondContact O-N 2.97Å; A905-T907 VanDerWaalsContact C-N 3.32Å; A905-T907 PolarHBondContact O-N 2.86Å; A905-A908 PolarHBondContact O-N 3.41Å; A905-L909 WeakPolarHBondContact O-CB 3.37Å; A905-L909 WeakPolarHBondContact O-CG 3.24Å; A905-L909 PolarHBondContact O-N 3.33Å; A905-I926 HydrophobicContact CB-CG2 3.88Å; A905-T942 HydrophobicContact CB-CG2 3.88Å; A905-L946 HydrophobicContact CB-CD1 3.98Å |
| 906 | Q | 85.7 | Confident | 77.6 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 17% | 0.173 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.9 | -29.5 | 175.8 | -77.5 | -173.2 | 39.4 | 0 | 0 | 113.3 | L902 H904 R910 | L902-Q906 HydrophobicContact CD1-CG 4.19Å; L902-Q906 HydrophobicContact CG-CG 4.48Å; L902-Q906 VanDerWaalsContact O-CB 3.29Å; L902-Q906 WeakPolarHBondContact O-CB 3.4Å; L902-Q906 VanDerWaalsContact O-CG 3.25Å; L902-Q906 WeakPolarHBondContact O-CG 3.45Å; L902-Q906 PolarHBondContact O-N 2.85Å; H904-Q906 PolarHBondContact O-N 2.89Å; Q906-R910 VanDerWaalsContact O-CG 3.22Å; Q906-R910 WeakPolarHBondContact O-CG 3.27Å; Q906-R910 PolarHBondContact O-N 2.75Å |
| 907 | T | 83.5 | Confident | 76.5 | Confident | 97 Ų | 97 | 73 Ų | 73 | 60% | 0.595 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.8 | -50.2 | 173 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | K903 H904 A905 L909 R910 | K903-T907 PolarHBondContact O-N 3.47Å; K903-T907 PolarHBondContact O-OG1 3.13Å; H904-T907 WeakPolarHBondContact O-CB 3.47Å; H904-T907 PolarHBondContact O-N 3.14Å; H904-T907 VanDerWaalsContact O-N 3.09Å; A905-T907 VanDerWaalsContact C-N 3.32Å; A905-T907 PolarHBondContact O-N 2.86Å; T907-L909 VanDerWaalsContact C-N 3.33Å; T907-L909 PolarHBondContact O-N 3.25Å; T907-R910 PolarHBondContact O-N 3.07Å; T907-R910 VanDerWaalsContact O-N 3.09Å |
| 908 | A | 83.5 | Confident | 75.9 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.7 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H904 A905 R910 S911 P918 L923 I926 L946 | H904-A908 PolarHBondContact O-N 3.16Å; H904-A908 VanDerWaalsContact O-N 3.14Å; A905-A908 PolarHBondContact O-N 3.41Å; A908-R910 VanDerWaalsContact C-N 3.3Å; A908-R910 PolarHBondContact O-N 3.5Å; A908-S911 WeakPolarHBondContact O-CB 3.42Å; A908-S911 PolarHBondContact O-N 3.11Å; A908-S911 PolarHBondContact O-OG 3.34Å; A908-P918 HydrophobicContact CB-CG 4.48Å; A908-L923 HydrophobicContact CB-CD2 4.12Å; A908-I926 HydrophobicContact CB-CD1 3.96Å; A908-L946 HydrophobicContact CB-CD2 4.38Å |
| 909 | L | 82.3 | Confident | 75.5 | Confident | 37 Ų | 37 | 71 Ų | 71 | 19% | 0.194 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.7 | -16.4 | 178.6 | -71.2 | 174.4 | 0 | 0 | 0 | 114.9 | A905 T907 T942 R945 L946 R949 | A905-L909 WeakPolarHBondContact O-CB 3.37Å; A905-L909 WeakPolarHBondContact O-CG 3.24Å; A905-L909 PolarHBondContact O-N 3.33Å; T907-L909 VanDerWaalsContact C-N 3.33Å; T907-L909 PolarHBondContact O-N 3.25Å; L909-T942 HydrophobicContact CD1-CG2 3.93Å; L909-R945 HydrophobicContact CD1-CB 4.12Å; L909-R945 HydrophobicContact CD2-CB 4.14Å; L909-L946 HydrophobicContact CD1-CD2 4.39Å; L909-L946 HydrophobicContact CD1-CG 4.33Å; L909-L946 HydrophobicContact CD2-CD2 3.93Å; L909-L946 HydrophobicContact CD2-CG 4.25Å; L909-L946 HydrophobicContact CG-CD2 3.84Å; L909-L946 HydrophobicContact CG-CG 4.27Å; L909-R949 HydrophobicContact CD2-CB 4.23Å |
| 910 | R | 75.1 | Confident | 75.3 | Confident | 159 Ų | 159 | 73.4 Ų | 73.4 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -1.1 | 178.3 | -73.8 | 176.4 | -166 | -179.7 | 10.3 | 113.9 | Q906 T907 A908 N912 L913 | Q906-R910 VanDerWaalsContact O-CG 3.22Å; Q906-R910 WeakPolarHBondContact O-CG 3.27Å; Q906-R910 PolarHBondContact O-N 2.75Å; T907-R910 PolarHBondContact O-N 3.07Å; T907-R910 VanDerWaalsContact O-N 3.09Å; A908-R910 VanDerWaalsContact C-N 3.3Å; A908-R910 PolarHBondContact O-N 3.5Å; R910-N912 PolarHBondContact O-N 3.02Å; R910-L913 PolarHBondContact O-N 2.89Å |
| 911 | S | 65.4 | Low | 75 | Confident | 8 Ų | 8 | 77.4 Ų | 77.4 | 6% | 0.056 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -55.4 | -16.1 | -174.5 | 51.7 | 0 | 0 | 0 | 0 | 116.6 | A908 L913 C914 L917 P918 R949 | A908-S911 WeakPolarHBondContact O-CB 3.42Å; A908-S911 PolarHBondContact O-N 3.11Å; A908-S911 PolarHBondContact O-OG 3.34Å; S911-L913 PolarHBondContact O-N 2.94Å; S911-C914 PolarHBondContact O-N 3.45Å; S911-C914 VanDerWaalsContact O-N 3.15Å; S911-C914 VanDerWaalsContact O-O 3.13Å; S911-L917 WeakPolarHBondContact O-CD2 3.42Å; S911-P918 WeakPolarHBondContact OG-CD 3.21Å; S911-R949 PolarHBondContact OG-NH2 3.3Å |
| 912 | N | 57.6 | Low | 74.7 | Confident | 119 Ų | 119 | 81.9 Ų | 81.9 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -53.4 | -6.4 | 172.3 | -82.1 | -19 | 0 | 0 | 0 | 115.7 | R910 R949 | R910-N912 PolarHBondContact O-N 3.02Å; N912-R949 VanDerWaalsContact OD1-CZ 3.25Å; N912-R949 PolarHBondContact OD1-NH1 3.04Å; N912-R949 PolarHBondContact OD1-NH2 3.06Å |
| 913 | L | 52.8 | Low | 74.7 | Confident | 162 Ų | 162 | 81 Ų | 81 | 85% | 0.848 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -127.7 | 1 | -178 | -66.2 | 171.2 | 0 | 0 | 0 | 114.4 | R910 S911 | R910-L913 PolarHBondContact O-N 2.89Å; S911-L913 PolarHBondContact O-N 2.94Å |
| 914 | C | 49.2 | Very low | 74.9 | Confident | 93 Ų | 93 | 79.2 Ų | 79.2 | 63% | 0.628 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -149.5 | 130.4 | 179.7 | -76 | 0 | 0 | 0 | 0 | 111.5 | S911 | S911-C914 PolarHBondContact O-N 3.45Å; S911-C914 VanDerWaalsContact O-N 3.15Å; S911-C914 VanDerWaalsContact O-O 3.13Å |
| 915 | E | 54.8 | Low | 75.1 | Confident | 175 Ų | 175 | 78.4 Ų | 78.4 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -81.6 | 153.2 | 161.9 | -69.4 | -173.1 | 158.7 | 0 | 0 | 110.9 | ||
| 916 | P | 62.4 | Low | 75.2 | Confident | 124 Ų | 124 | 78.8 Ų | 78.8 | 81% | 0.805 | 42% | 0.417 | S | S | * | . | S | Bend | cis | -72.1 | 144.1 | -4.4 | 31 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 917 | L | 66.6 | Low | 75.3 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 44% | 0.44 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 141.6 | 170.8 | -60.4 | 176.9 | 0 | 0 | 0 | 109.6 | S911 Y953 | S911-L917 WeakPolarHBondContact O-CD2 3.42Å; L917-Y953 HydrophobicContact CB-CE1 4.36Å |
| 918 | P | 73.8 | Confident | 75.6 | Confident | 18 Ų | 18 | 77.6 Ų | 77.6 | 12% | 0.117 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -67 | 136.3 | -177.1 | 27.9 | -35.2 | 0 | 0 | 0 | 111.1 | A908 S911 L923 Y953 | A908-P918 HydrophobicContact CB-CG 4.48Å; S911-P918 WeakPolarHBondContact OG-CD 3.21Å; P918-L923 HydrophobicContact CB-CD2 4.44Å; P918-L923 HydrophobicContact CB-CG 4.4Å; P918-L923 HydrophobicContact CG-CD2 4.35Å; P918-Y953 HydrophobicContact CG-CE1 4.38Å; P918-Y953 WeakPolarHBondContact O-CE1 3.43Å |
| 919 | T | 81.9 | Confident | 75.9 | Confident | 68 Ų | 68 | 81.4 Ų | 81.4 | 42% | 0.417 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -70 | 161.2 | 175.5 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | E921 E922 L923 | T919-E921 PolarHBondContact O-N 3.4Å; T919-E922 WeakPolarHBondContact CB-OE2 3.36Å; T919-E922 WeakPolarHBondContact CG2-OE2 3.48Å; T919-E922 PolarHBondContact N-OE2 3.32Å; T919-E922 PolarHBondContact O-N 3.43Å; T919-E922 VanDerWaalsContact OG1-CG 3.28Å; T919-E922 WeakPolarHBondContact OG1-CG 3.34Å; T919-E922 PolarHBondContact OG1-N 3.08Å; T919-E922 VanDerWaalsContact OG1-N 3.16Å; T919-E922 PolarHBondContact OG1-OE2 3.11Å; T919-L923 WeakPolarHBondContact O-CG 3.5Å; T919-L923 PolarHBondContact O-N 2.85Å |
| 920 | I | 80.4 | Confident | 76.1 | Confident | 61 Ų | 61 | 79.6 Ų | 79.6 | 31% | 0.313 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61 | -34.4 | 173.4 | -62.7 | 176.8 | 0 | 0 | 0 | 110.6 | L923 D924 R950 A954 | I920-L923 PolarHBondContact O-N 3.03Å; I920-D924 WeakPolarHBondContact O-CB 3.46Å; I920-D924 PolarHBondContact O-N 3.24Å; I920-R950 HydrophobicContact CG2-CG 4.33Å; I920-A954 HydrophobicContact CD1-CB 4.44Å |
| 921 | E | 83.3 | Confident | 76.6 | Confident | 158 Ų | 158 | 76.5 Ų | 76.5 | 74% | 0.738 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68 | -38.5 | 178.5 | -61.5 | 178.3 | -179.7 | 0 | 0 | 112.4 | T919 T925 | T919-E921 PolarHBondContact O-N 3.4Å; E921-T925 WeakPolarHBondContact O-CB 3.46Å; E921-T925 PolarHBondContact O-N 2.97Å; E921-T925 PolarHBondContact O-OG1 3.38Å |
| 922 | E | 85.2 | Confident | 77.7 | Confident | 102 Ų | 102 | 79.5 Ų | 79.5 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 172.4 | -72 | 162.5 | 125.6 | 0 | 0 | 111.8 | T919 T925 I926 | T919-E922 WeakPolarHBondContact CB-OE2 3.36Å; T919-E922 WeakPolarHBondContact CG2-OE2 3.48Å; T919-E922 PolarHBondContact N-OE2 3.32Å; T919-E922 PolarHBondContact O-N 3.43Å; T919-E922 VanDerWaalsContact OG1-CG 3.28Å; T919-E922 WeakPolarHBondContact OG1-CG 3.34Å; T919-E922 PolarHBondContact OG1-N 3.08Å; T919-E922 VanDerWaalsContact OG1-N 3.16Å; T919-E922 PolarHBondContact OG1-OE2 3.11Å; E922-T925 PolarHBondContact O-N 2.96Å; E922-I926 VanDerWaalsContact O-CG1 3.32Å; E922-I926 WeakPolarHBondContact O-CG1 3.35Å; E922-I926 PolarHBondContact O-N 3.45Å |
| 923 | L | 86.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 174.3 | -70.8 | 173.8 | 0 | 0 | 0 | 111.5 | A908 P918 T919 I920 T925 I926 I927 L946 R950 Y953 | A908-L923 HydrophobicContact CB-CD2 4.12Å; P918-L923 HydrophobicContact CB-CD2 4.44Å; P918-L923 HydrophobicContact CB-CG 4.4Å; P918-L923 HydrophobicContact CG-CD2 4.35Å; T919-L923 WeakPolarHBondContact O-CG 3.5Å; T919-L923 PolarHBondContact O-N 2.85Å; I920-L923 PolarHBondContact O-N 3.03Å; L923-T925 VanDerWaalsContact C-N 3.33Å; L923-T925 PolarHBondContact O-N 2.93Å; L923-I926 PolarHBondContact O-N 3.07Å; L923-I927 WeakPolarHBondContact O-CB 3.44Å; L923-I927 WeakPolarHBondContact O-CD1 3.39Å; L923-I927 WeakPolarHBondContact O-CG1 3.25Å; L923-I927 PolarHBondContact O-N 3.13Å; L923-L946 HydrophobicContact CD2-CD2 3.92Å; L923-R950 HydrophobicContact CD1-CB 4.28Å; L923-Y953 HydrophobicContact CD1-CD1 4.25Å |
| 924 | D | 87.3 | Confident | 80.1 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 28% | 0.283 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.3 | -85.5 | -33.4 | 0 | 0 | 0 | 111.8 | I920 I927 E928 R950 | I920-D924 WeakPolarHBondContact O-CB 3.46Å; I920-D924 PolarHBondContact O-N 3.24Å; D924-I927 PolarHBondContact O-N 3.06Å; D924-E928 PolarHBondContact O-N 2.94Å; D924-R950 VanDerWaalsContact CG-NE 3.35Å; D924-R950 IonicContact OD1-CZ 2.63Å; D924-R950 IonicContact OD1-NE 3.32Å; D924-R950 PolarHBondContact OD1-NE 3.41Å; D924-R950 IonicContact OD1-NH2 2.62Å; D924-R950 PolarHBondContact OD1-NH2 2.91Å; D924-R950 IonicContact OD2-CZ 3.37Å; D924-R950 IonicContact OD2-NE 3.51Å; D924-R950 PolarHBondContact OD2-NE 3.45Å; D924-R950 IonicContact OD2-NH2 2.7Å; D924-R950 PolarHBondContact OD2-NH2 2.92Å |
| 925 | T | 90.6 | Very high | 81.5 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 175.9 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | E921 E922 L923 I927 E928 E929 | E921-T925 WeakPolarHBondContact O-CB 3.46Å; E921-T925 PolarHBondContact O-N 2.97Å; E921-T925 PolarHBondContact O-OG1 3.38Å; E922-T925 PolarHBondContact O-N 2.96Å; L923-T925 VanDerWaalsContact C-N 3.33Å; L923-T925 PolarHBondContact O-N 2.93Å; T925-I927 VanDerWaalsContact C-N 3.32Å; T925-I927 PolarHBondContact O-N 3.32Å; T925-E928 PolarHBondContact O-N 3.27Å; T925-E929 WeakPolarHBondContact O-CG 3.31Å; T925-E929 PolarHBondContact O-N 2.91Å |
| 926 | I | 90.3 | Very high | 82.4 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 178.3 | -66.3 | 168.7 | 0 | 0 | 0 | 111.2 | W901 A905 A908 E922 L923 G930 L946 | W901-I926 PolarHBondContact NE1-O 3.35Å; A905-I926 HydrophobicContact CB-CG2 3.88Å; A908-I926 HydrophobicContact CB-CD1 3.96Å; E922-I926 VanDerWaalsContact O-CG1 3.32Å; E922-I926 WeakPolarHBondContact O-CG1 3.35Å; E922-I926 PolarHBondContact O-N 3.45Å; L923-I926 PolarHBondContact O-N 3.07Å; I926-G930 PolarHBondContact O-N 3.3Å; I926-L946 HydrophobicContact CG2-CD1 3.79Å; I926-L946 HydrophobicContact CG2-CD2 4.43Å |
| 927 | I | 88.7 | Confident | 83.1 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 176.2 | -74.5 | 163.3 | 0 | 0 | 0 | 110.7 | L923 D924 T925 G930 K931 L943 L946 E947 | L923-I927 WeakPolarHBondContact O-CB 3.44Å; L923-I927 WeakPolarHBondContact O-CD1 3.39Å; L923-I927 WeakPolarHBondContact O-CG1 3.25Å; L923-I927 PolarHBondContact O-N 3.13Å; D924-I927 PolarHBondContact O-N 3.06Å; T925-I927 VanDerWaalsContact C-N 3.32Å; T925-I927 PolarHBondContact O-N 3.32Å; I927-G930 PolarHBondContact O-N 2.7Å; I927-K931 HydrophobicContact CG2-CD 4.21Å; I927-K931 VanDerWaalsContact CG2-CE 3.4Å; I927-K931 VanDerWaalsContact CG2-NZ 3.33Å; I927-K931 WeakPolarHBondContact O-CG 3.49Å; I927-K931 PolarHBondContact O-N 2.85Å; I927-L943 HydrophobicContact CB-CD2 4.47Å; I927-L943 HydrophobicContact CG2-CD2 4.31Å; I927-L946 HydrophobicContact CD1-CB 4.02Å; I927-L946 HydrophobicContact CG1-CB 3.74Å; I927-L946 HydrophobicContact CG1-CD1 4.23Å; I927-E947 HydrophobicContact CD1-CG 3.95Å; I927-E947 HydrophobicContact CG1-CG 4.42Å; I927-E947 HydrophobicContact CG2-CG 4.46Å |
| 928 | E | 89.7 | Confident | 83.7 | Confident | 106 Ų | 106 | 73.7 Ų | 73.7 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 178.6 | -67.5 | -54.5 | 123.4 | 0 | 0 | 112.9 | D924 T925 G930 K931 A932 | D924-E928 PolarHBondContact O-N 2.94Å; T925-E928 PolarHBondContact O-N 3.27Å; E928-G930 VanDerWaalsContact C-N 3.26Å; E928-G930 PolarHBondContact O-N 3.36Å; E928-K931 PolarHBondContact O-N 3.03Å; E928-K931 VanDerWaalsContact OE1-CD 3.27Å; E928-K931 WeakPolarHBondContact OE1-CD 3.5Å; E928-K931 WeakPolarHBondContact OE1-CE 3.46Å; E928-K931 IonicContact OE1-NZ 3.83Å; E928-K931 PolarHBondContact OE1-NZ 3.18Å; E928-A932 WeakPolarHBondContact O-CB 3.33Å; E928-A932 PolarHBondContact O-N 2.96Å |
| 929 | E | 89.5 | Confident | 84.3 | Confident | 89 Ų | 89 | 73 Ų | 73 | 42% | 0.416 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -54.9 | -44.6 | 167.3 | -76.7 | -173.2 | 159.5 | 0 | 0 | 111.2 | H904 T925 A932 L933 | H904-E929 IonicContact ND1-OE2 2.76Å; T925-E929 WeakPolarHBondContact O-CG 3.31Å; T925-E929 PolarHBondContact O-N 2.91Å; E929-A932 PolarHBondContact O-N 3.12Å; E929-L933 PolarHBondContact O-N 3.22Å |
| 930 | G | 86.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.9 | -35 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | W901 I926 I927 E928 | W901-G930 VanDerWaalsContact NE1-CA 3.3Å; I926-G930 PolarHBondContact O-N 3.3Å; I927-G930 PolarHBondContact O-N 2.7Å; E928-G930 VanDerWaalsContact C-N 3.26Å; E928-G930 PolarHBondContact O-N 3.36Å |
| 931 | K | 86.5 | Confident | 84.5 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 40% | 0.404 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 171.6 | -69.5 | 166.7 | -173.1 | 168 | 0 | 111 | I927 E928 L933 N934 L943 E947 | I927-K931 HydrophobicContact CG2-CD 4.21Å; I927-K931 VanDerWaalsContact CG2-CE 3.4Å; I927-K931 VanDerWaalsContact CG2-NZ 3.33Å; I927-K931 WeakPolarHBondContact O-CG 3.49Å; I927-K931 PolarHBondContact O-N 2.85Å; E928-K931 PolarHBondContact O-N 3.03Å; E928-K931 VanDerWaalsContact OE1-CD 3.27Å; E928-K931 WeakPolarHBondContact OE1-CD 3.5Å; E928-K931 WeakPolarHBondContact OE1-CE 3.46Å; E928-K931 IonicContact OE1-NZ 3.83Å; E928-K931 PolarHBondContact OE1-NZ 3.18Å; K931-L933 PolarHBondContact O-N 2.86Å; K931-L933 VanDerWaalsContact O-N 3.12Å; K931-N934 PolarHBondContact O-N 3.17Å; K931-N934 VanDerWaalsContact O-N 3.13Å; K931-L943 HydrophobicContact CG-CD1 4.41Å; K931-E947 IonicContact NZ-OE1 2.88Å |
| 932 | A | 86.6 | Confident | 84.7 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61 | -22.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E928 E929 N934 | E928-A932 WeakPolarHBondContact O-CB 3.33Å; E928-A932 PolarHBondContact O-N 2.96Å; E929-A932 PolarHBondContact O-N 3.12Å; A932-N934 PolarHBondContact O-N 3.16Å; A932-N934 PolarHBondContact O-ND2 2.78Å |
| 933 | L | 83.3 | Confident | 84.9 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.9 | 175.3 | -68.3 | 172.4 | 0 | 0 | 0 | 114.1 | Q897 F898 W901 E929 K931 M935 T939 | Q897-L933 HydrophobicContact CB-CD2 3.6Å; F898-L933 HydrophobicContact CB-CD1 4.27Å; F898-L933 HydrophobicContact CD2-CD1 4.07Å; W901-L933 HydrophobicContact CB-CD1 3.91Å; W901-L933 HydrophobicContact CD2-CD1 3.82Å; W901-L933 HydrophobicContact CE3-CD1 3.85Å; W901-L933 HydrophobicContact CG-CD1 3.85Å; E929-L933 PolarHBondContact O-N 3.22Å; K931-L933 PolarHBondContact O-N 2.86Å; K931-L933 VanDerWaalsContact O-N 3.12Å; L933-M935 VanDerWaalsContact C-N 3.28Å; L933-M935 HydrophobicContact CB-CG 4.33Å; L933-M935 WeakPolarHBondContact O-CG 3.07Å; L933-M935 PolarHBondContact O-N 3.22Å; L933-T939 HydrophobicContact CB-CG2 4.46Å; L933-T939 HydrophobicContact CD1-CG2 4.02Å |
| 934 | N | 78.1 | Confident | 84.7 | Confident | 137 Ų | 137 | 66.3 Ų | 66.3 | 73% | 0.733 | 35% | 0.345 | S | S | * | . | trans | 54.5 | 39.1 | -174.6 | -66.3 | -94 | 0 | 0 | 0 | 113.5 | K931 A932 | K931-N934 PolarHBondContact O-N 3.17Å; K931-N934 VanDerWaalsContact O-N 3.13Å; A932-N934 PolarHBondContact O-N 3.16Å; A932-N934 PolarHBondContact O-ND2 2.78Å | ||
| 935 | M | 79.9 | Confident | 84.7 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 16% | 0.163 | 35% | 0.353 | C | S | . | . | trans | -121.6 | 50.2 | -179.7 | -58.8 | -166.6 | 84.6 | 0 | 0 | 112.3 | Q894 F898 L933 E937 K938 T939 | Q894-M935 HydrophobicContact CB-SD 4.21Å; F898-M935 HydrophobicContact CB-SD 3.87Å; F898-M935 HydrophobicContact CD2-SD 4.45Å; F898-M935 HydrophobicContact CG-SD 4.28Å; L933-M935 VanDerWaalsContact C-N 3.28Å; L933-M935 HydrophobicContact CB-CG 4.33Å; L933-M935 WeakPolarHBondContact O-CG 3.07Å; L933-M935 PolarHBondContact O-N 3.22Å; M935-E937 VanDerWaalsContact C-N 3.32Å; M935-E937 PolarHBondContact O-N 2.93Å; M935-E937 VanDerWaalsContact O-N 3.11Å; M935-K938 HydrophobicContact CB-CB 4.44Å; M935-K938 HydrophobicContact CE-CD 3.88Å; M935-K938 WeakPolarHBondContact O-CA 3.31Å; M935-K938 PolarHBondContact O-N 2.89Å; M935-T939 HydrophobicContact CB-CG2 4.22Å; M935-T939 PolarHBondContact O-N 3.32Å; M935-T939 PolarHBondContact O-OG1 3.23Å | ||
| 936 | E | 72.2 | Confident | 84.5 | Confident | 162 Ų | 162 | 65.5 Ų | 65.5 | 76% | 0.757 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -44.1 | -48.8 | -169.7 | -64.9 | -172.1 | 154 | 0 | 0 | 114.5 | K938 T939 K940 | E936-K938 PolarHBondContact O-N 3.23Å; E936-T939 WeakPolarHBondContact CA-OG1 3.44Å; E936-T939 PolarHBondContact O-N 2.93Å; E936-K940 WeakPolarHBondContact O-CB 3.32Å; E936-K940 PolarHBondContact O-N 2.88Å |
| 937 | E | 77.2 | Confident | 84.3 | Confident | 188 Ų | 188 | 67.1 Ų | 67.1 | 88% | 0.879 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.2 | -32.2 | -179.5 | -171.1 | -178.1 | -159.8 | 0 | 0 | 113 | M935 | M935-E937 VanDerWaalsContact C-N 3.32Å; M935-E937 PolarHBondContact O-N 2.93Å; M935-E937 VanDerWaalsContact O-N 3.11Å |
| 938 | K | 80.1 | Confident | 84.1 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -90.4 | -32.5 | 177.2 | -59.7 | -164.2 | -173 | -172.6 | 0 | 113.5 | N895 F898 M935 E936 | N895-K938 PolarHBondContact OD1-NZ 3.39Å; F898-K938 HydrophobicContact CD1-CD 4.24Å; F898-K938 HydrophobicContact CD2-CB 4.16Å; F898-K938 HydrophobicContact CE1-CB 4.34Å; F898-K938 HydrophobicContact CE1-CD 4.03Å; F898-K938 HydrophobicContact CE2-CB 3.47Å; F898-K938 VanDerWaalsContact CE2-CB 3.47Å; F898-K938 HydrophobicContact CE2-CD 4.39Å; F898-K938 HydrophobicContact CZ-CB 3.59Å; F898-K938 HydrophobicContact CZ-CD 4.12Å; F898-K938 HydrophobicContact CZ-CG 4.47Å; M935-K938 HydrophobicContact CB-CB 4.44Å; M935-K938 HydrophobicContact CE-CD 3.88Å; M935-K938 WeakPolarHBondContact O-CA 3.31Å; M935-K938 PolarHBondContact O-N 2.89Å; E936-K938 PolarHBondContact O-N 3.23Å |
| 939 | T | 85.3 | Confident | 83.8 | Confident | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -87.6 | -35.5 | -174.2 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | F898 W901 L933 M935 E936 G941 T942 L943 | F898-T939 HydrophobicContact CD2-CG2 3.93Å; F898-T939 HydrophobicContact CE2-CG2 3.89Å; W901-T939 HydrophobicContact CE3-CG2 4.28Å; W901-T939 HydrophobicContact CH2-CG2 4.07Å; W901-T939 HydrophobicContact CZ3-CG2 3.77Å; L933-T939 HydrophobicContact CB-CG2 4.46Å; L933-T939 HydrophobicContact CD1-CG2 4.02Å; M935-T939 HydrophobicContact CB-CG2 4.22Å; M935-T939 PolarHBondContact O-N 3.32Å; M935-T939 PolarHBondContact O-OG1 3.23Å; E936-T939 WeakPolarHBondContact CA-OG1 3.44Å; E936-T939 PolarHBondContact O-N 2.93Å; T939-G941 PolarHBondContact O-N 2.98Å; T939-T942 WeakPolarHBondContact O-CA 3.24Å; T939-T942 PolarHBondContact O-N 3.34Å; T939-L943 PolarHBondContact O-N 3.47Å |
| 940 | K | 83 | Confident | 83.6 | Confident | 129 Ų | 129 | 65.4 Ų | 65.4 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -47.9 | -61.2 | -170.1 | 177.8 | 166.1 | -176 | 170.1 | 0 | 113.9 | E936 T942 L943 D944 | E936-K940 WeakPolarHBondContact O-CB 3.32Å; E936-K940 PolarHBondContact O-N 2.88Å; K940-T942 PolarHBondContact O-N 3.13Å; K940-L943 CarbonylContact O-C 3.59Å; K940-L943 WeakPolarHBondContact O-CA 3.19Å; K940-L943 PolarHBondContact O-N 3.12Å; K940-D944 WeakPolarHBondContact CG-OD1 3.33Å; K940-D944 VanDerWaalsContact CG-OD2 3.31Å; K940-D944 WeakPolarHBondContact CG-OD2 3.48Å; K940-D944 PolarHBondContact O-N 3.07Å |
| 941 | G | 83.4 | Confident | 83.4 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.1 | 2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | T939 R945 | T939-G941 PolarHBondContact O-N 2.98Å; G941-R945 PolarHBondContact O-NE 3.34Å; G941-R945 PolarHBondContact O-NH2 2.92Å |
| 942 | T | 87.7 | Confident | 83.1 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -111.4 | -35.5 | 167.3 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | W901 L902 A905 L909 T939 K940 R945 L946 | W901-T942 HydrophobicContact CH2-CG2 4.02Å; L902-T942 HydrophobicContact CD1-CG2 4.11Å; A905-T942 HydrophobicContact CB-CG2 3.88Å; L909-T942 HydrophobicContact CD1-CG2 3.93Å; T939-T942 WeakPolarHBondContact O-CA 3.24Å; T939-T942 PolarHBondContact O-N 3.34Å; K940-T942 PolarHBondContact O-N 3.13Å; T942-R945 PolarHBondContact O-N 2.85Å; T942-R945 PolarHBondContact OG1-NH2 2.83Å; T942-L946 HydrophobicContact CG2-CD1 4.45Å; T942-L946 WeakPolarHBondContact O-CG 3.5Å; T942-L946 PolarHBondContact O-N 2.82Å |
| 943 | L | 88.9 | Confident | 82.8 | Confident | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -50.2 | 167.3 | -72.7 | 170.2 | 0 | 0 | 0 | 111.5 | W901 I927 K931 T939 K940 R945 L946 E947 | W901-L943 HydrophobicContact CH2-CG 4.27Å; W901-L943 HydrophobicContact CZ2-CD2 3.97Å; W901-L943 HydrophobicContact CZ2-CG 4.23Å; I927-L943 HydrophobicContact CB-CD2 4.47Å; I927-L943 HydrophobicContact CG2-CD2 4.31Å; K931-L943 HydrophobicContact CG-CD1 4.41Å; T939-L943 PolarHBondContact O-N 3.47Å; K940-L943 CarbonylContact O-C 3.59Å; K940-L943 WeakPolarHBondContact O-CA 3.19Å; K940-L943 PolarHBondContact O-N 3.12Å; L943-R945 PolarHBondContact O-N 2.89Å; L943-R945 VanDerWaalsContact O-N 3.08Å; L943-L946 PolarHBondContact O-N 2.88Å; L943-E947 WeakPolarHBondContact O-CG 3.3Å; L943-E947 PolarHBondContact O-N 2.91Å |
| 944 | D | 84.3 | Confident | 82.7 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -51.2 | -38.3 | 177.5 | -58.9 | -24.8 | 0 | 0 | 0 | 111.6 | K940 Q948 | K940-D944 WeakPolarHBondContact CG-OD1 3.33Å; K940-D944 VanDerWaalsContact CG-OD2 3.31Å; K940-D944 WeakPolarHBondContact CG-OD2 3.48Å; K940-D944 PolarHBondContact O-N 3.07Å; D944-Q948 WeakPolarHBondContact O-CB 3.22Å; D944-Q948 PolarHBondContact O-N 3.3Å |
| 945 | R | 86 | Confident | 82.8 | Confident | 119 Ų | 119 | 53.2 Ų | 53.2 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -79.8 | -32.9 | 178.6 | -70.4 | -175.7 | -67.9 | 144.8 | 5.9 | 113.6 | L909 G941 T942 L943 R949 | L909-R945 HydrophobicContact CD1-CB 4.12Å; L909-R945 HydrophobicContact CD2-CB 4.14Å; G941-R945 PolarHBondContact O-NE 3.34Å; G941-R945 PolarHBondContact O-NH2 2.92Å; T942-R945 PolarHBondContact O-N 2.85Å; T942-R945 PolarHBondContact OG1-NH2 2.83Å; L943-R945 PolarHBondContact O-N 2.89Å; L943-R945 VanDerWaalsContact O-N 3.08Å; R945-R949 WeakPolarHBondContact O-CB 3.3Å; R945-R949 PolarHBondContact O-N 3.26Å |
| 946 | L | 87.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 172 | -73.3 | 165.4 | 0 | 0 | 0 | 110.4 | W901 A905 A908 L909 L923 I926 I927 T942 L943 R949 R950 | W901-L946 HydrophobicContact CZ2-CD1 4.14Å; A905-L946 HydrophobicContact CB-CD1 3.98Å; A908-L946 HydrophobicContact CB-CD2 4.38Å; L909-L946 HydrophobicContact CD1-CD2 4.39Å; L909-L946 HydrophobicContact CD1-CG 4.33Å; L909-L946 HydrophobicContact CD2-CD2 3.93Å; L909-L946 HydrophobicContact CD2-CG 4.25Å; L909-L946 HydrophobicContact CG-CD2 3.84Å; L909-L946 HydrophobicContact CG-CG 4.27Å; L923-L946 HydrophobicContact CD2-CD2 3.92Å; I926-L946 HydrophobicContact CG2-CD1 3.79Å; I926-L946 HydrophobicContact CG2-CD2 4.43Å; I927-L946 HydrophobicContact CD1-CB 4.02Å; I927-L946 HydrophobicContact CG1-CB 3.74Å; I927-L946 HydrophobicContact CG1-CD1 4.23Å; T942-L946 HydrophobicContact CG2-CD1 4.45Å; T942-L946 WeakPolarHBondContact O-CG 3.5Å; T942-L946 PolarHBondContact O-N 2.82Å; L943-L946 PolarHBondContact O-N 2.88Å; L946-R949 PolarHBondContact O-N 3.33Å; L946-R950 VanDerWaalsContact O-CB 3.24Å; L946-R950 WeakPolarHBondContact O-CB 3.44Å; L946-R950 PolarHBondContact O-N 3.39Å |
| 947 | E | 86.5 | Confident | 83.1 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 177.2 | -69.4 | -175.2 | 172.7 | 0 | 0 | 111.6 | I927 K931 L943 R950 G951 V980 P981 | I927-E947 HydrophobicContact CD1-CG 3.95Å; I927-E947 HydrophobicContact CG1-CG 4.42Å; I927-E947 HydrophobicContact CG2-CG 4.46Å; K931-E947 IonicContact NZ-OE1 2.88Å; L943-E947 WeakPolarHBondContact O-CG 3.3Å; L943-E947 PolarHBondContact O-N 2.91Å; E947-R950 PolarHBondContact O-N 2.92Å; E947-G951 PolarHBondContact O-N 2.84Å; E947-V980 HydrophobicContact CB-CG1 4.21Å; E947-V980 WeakPolarHBondContact O-CG1 3.42Å; E947-P981 WeakPolarHBondContact OE2-CD 3.47Å; E947-P981 WeakPolarHBondContact OE2-CG 3.3Å |
| 948 | Q | 83.1 | Confident | 83.2 | Confident | 49 Ų | 49 | 43 Ų | 43 | 23% | 0.229 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.3 | -53.6 | 169.2 | -178.1 | -178.2 | -1.5 | 0 | 0 | 111 | D944 R950 G951 D952 D984 | D944-Q948 WeakPolarHBondContact O-CB 3.22Å; D944-Q948 PolarHBondContact O-N 3.3Å; Q948-R950 VanDerWaalsContact C-N 3.3Å; Q948-R950 PolarHBondContact O-N 3.22Å; Q948-G951 CarbonylContact O-C 3.57Å; Q948-G951 WeakPolarHBondContact O-CA 3.48Å; Q948-G951 PolarHBondContact O-N 3.07Å; Q948-D952 PolarHBondContact O-N 3.28Å; Q948-D984 PolarHBondContact NE2-OD2 3.03Å |
| 949 | R | 83.9 | Confident | 83 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -36.4 | -178.4 | -179.7 | 55.8 | 168.2 | -156.6 | -9.2 | 113.1 | L909 S911 N912 R945 L946 D952 Y953 | L909-R949 HydrophobicContact CD2-CB 4.23Å; S911-R949 PolarHBondContact OG-NH2 3.3Å; N912-R949 VanDerWaalsContact OD1-CZ 3.25Å; N912-R949 PolarHBondContact OD1-NH1 3.04Å; N912-R949 PolarHBondContact OD1-NH2 3.06Å; R945-R949 WeakPolarHBondContact O-CB 3.3Å; R945-R949 PolarHBondContact O-N 3.26Å; L946-R949 PolarHBondContact O-N 3.33Å; R949-D952 PolarHBondContact O-N 2.88Å; R949-Y953 VanDerWaalsContact NE-CE2 3.34Å; R949-Y953 PolarHBondContact NH2-OH 2.88Å; R949-Y953 PolarHBondContact O-N 3.04Å |
| 950 | R | 86 | Confident | 82.5 | Confident | 77 Ų | 77 | 45.2 Ų | 45.2 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 171.3 | -178.1 | -161.2 | -172.6 | -86.2 | -2.3 | 111.2 | I920 L923 D924 L946 E947 Q948 Y953 A954 | I920-R950 HydrophobicContact CG2-CG 4.33Å; L923-R950 HydrophobicContact CD1-CB 4.28Å; D924-R950 VanDerWaalsContact CG-NE 3.35Å; D924-R950 IonicContact OD1-CZ 2.63Å; D924-R950 IonicContact OD1-NE 3.32Å; D924-R950 PolarHBondContact OD1-NE 3.41Å; D924-R950 IonicContact OD1-NH2 2.62Å; D924-R950 PolarHBondContact OD1-NH2 2.91Å; D924-R950 IonicContact OD2-CZ 3.37Å; D924-R950 IonicContact OD2-NE 3.51Å; D924-R950 PolarHBondContact OD2-NE 3.45Å; D924-R950 IonicContact OD2-NH2 2.7Å; D924-R950 PolarHBondContact OD2-NH2 2.92Å; L946-R950 VanDerWaalsContact O-CB 3.24Å; L946-R950 WeakPolarHBondContact O-CB 3.44Å; L946-R950 PolarHBondContact O-N 3.39Å; E947-R950 PolarHBondContact O-N 2.92Å; Q948-R950 VanDerWaalsContact C-N 3.3Å; Q948-R950 PolarHBondContact O-N 3.22Å; R950-Y953 PolarHBondContact O-N 3.23Å; R950-A954 WeakPolarHBondContact O-CB 3.25Å; R950-A954 PolarHBondContact O-N 3.16Å |
| 951 | G | 81.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E947 Q948 A954 A955 | E947-G951 PolarHBondContact O-N 2.84Å; Q948-G951 CarbonylContact O-C 3.57Å; Q948-G951 WeakPolarHBondContact O-CA 3.48Å; Q948-G951 PolarHBondContact O-N 3.07Å; G951-A954 PolarHBondContact O-N 2.85Å; G951-A955 WeakPolarHBondContact O-CB 3.1Å; G951-A955 PolarHBondContact O-N 2.79Å |
| 952 | D | 80.3 | Confident | 80.7 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 175.6 | -62.2 | -36.8 | 0 | 0 | 0 | 111.3 | Q948 R949 A954 A955 E956 D984 | Q948-D952 PolarHBondContact O-N 3.28Å; R949-D952 PolarHBondContact O-N 2.88Å; D952-A954 VanDerWaalsContact C-N 3.33Å; D952-A954 PolarHBondContact O-N 3.25Å; D952-A955 CarbonylContact O-C 3.55Å; D952-A955 WeakPolarHBondContact O-CB 3.31Å; D952-A955 PolarHBondContact O-N 3.28Å; D952-A955 VanDerWaalsContact O-N 3.09Å; D952-E956 WeakPolarHBondContact O-CG 3.28Å; D952-E956 PolarHBondContact O-N 3.22Å; D952-D984 WeakPolarHBondContact OD1-CB 3.34Å |
| 953 | Y | 81.2 | Confident | 79.6 | Confident | 27 Ų | 27 | 56 Ų | 56 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 177.9 | -85.1 | -159.9 | 0 | 0 | 0 | 112.8 | L917 P918 L923 R949 R950 A957 | L917-Y953 HydrophobicContact CB-CE1 4.36Å; P918-Y953 HydrophobicContact CG-CE1 4.38Å; P918-Y953 WeakPolarHBondContact O-CE1 3.43Å; L923-Y953 HydrophobicContact CD1-CD1 4.25Å; R949-Y953 VanDerWaalsContact NE-CE2 3.34Å; R949-Y953 PolarHBondContact NH2-OH 2.88Å; R949-Y953 PolarHBondContact O-N 3.04Å; R950-Y953 PolarHBondContact O-N 3.23Å; Y953-A957 WeakPolarHBondContact O-CB 3.41Å; Y953-A957 PolarHBondContact O-N 3.14Å |
| 954 | A | 81.3 | Confident | 78.4 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.9 | -33.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I920 R950 G951 D952 L958 I977 | I920-A954 HydrophobicContact CD1-CB 4.44Å; R950-A954 WeakPolarHBondContact O-CB 3.25Å; R950-A954 PolarHBondContact O-N 3.16Å; G951-A954 PolarHBondContact O-N 2.85Å; D952-A954 VanDerWaalsContact C-N 3.33Å; D952-A954 PolarHBondContact O-N 3.25Å; A954-L958 VanDerWaalsContact O-CB 3.29Å; A954-L958 WeakPolarHBondContact O-CB 3.23Å; A954-L958 PolarHBondContact O-N 3.01Å; A954-I977 HydrophobicContact CB-CD1 4.02Å; A954-I977 HydrophobicContact CB-CG1 3.81Å; A954-I977 HydrophobicContact CB-CG2 4.39Å; A954-I977 WeakPolarHBondContact O-CD1 3.35Å |
| 955 | A | 79.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.2 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G951 D952 L958 L959 I977 L986 V987 V990 | G951-A955 WeakPolarHBondContact O-CB 3.1Å; G951-A955 PolarHBondContact O-N 2.79Å; D952-A955 CarbonylContact O-C 3.55Å; D952-A955 WeakPolarHBondContact O-CB 3.31Å; D952-A955 PolarHBondContact O-N 3.28Å; D952-A955 VanDerWaalsContact O-N 3.09Å; A955-L958 PolarHBondContact O-N 2.57Å; A955-L959 WeakPolarHBondContact O-CB 3.32Å; A955-L959 WeakPolarHBondContact O-CG 3.12Å; A955-L959 PolarHBondContact O-N 3.13Å; A955-I977 HydrophobicContact CB-CG2 4.42Å; A955-L986 HydrophobicContact CB-CD2 4.21Å; A955-L986 HydrophobicContact CB-CG 4.14Å; A955-V987 HydrophobicContact CB-CG2 4.18Å; A955-V990 HydrophobicContact CB-CG2 3.91Å |
| 956 | E | 79.9 | Confident | 77 | Confident | 103 Ų | 103 | 57.2 Ų | 57.2 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 172.5 | -70.8 | -175.2 | 160.7 | 0 | 0 | 110.5 | D952 L958 L959 S960 L986 | D952-E956 WeakPolarHBondContact O-CG 3.28Å; D952-E956 PolarHBondContact O-N 3.22Å; E956-L958 VanDerWaalsContact C-N 3.25Å; E956-L958 PolarHBondContact O-N 3.39Å; E956-L959 PolarHBondContact O-N 3.49Å; E956-L959 VanDerWaalsContact O-N 3.14Å; E956-S960 WeakPolarHBondContact O-CB 3.3Å; E956-S960 PolarHBondContact O-N 3.05Å; E956-S960 PolarHBondContact O-OG 3.23Å; E956-S960 VanDerWaalsContact O-OG 3.06Å; E956-L986 HydrophobicContact CG-CD2 3.53Å |
| 957 | A | 78.1 | Confident | 76.1 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -26.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y953 C961 | Y953-A957 WeakPolarHBondContact O-CB 3.41Å; Y953-A957 PolarHBondContact O-N 3.14Å; A957-C961 WeakPolarHBondContact O-CB 3.47Å |
| 958 | L | 79.7 | Confident | 75.4 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -79.6 | -37.3 | 174.2 | -175.2 | 60.4 | 0 | 0 | 0 | 112.1 | A954 A955 E956 C961 M965 F970 K973 I977 V990 | A954-L958 VanDerWaalsContact O-CB 3.29Å; A954-L958 WeakPolarHBondContact O-CB 3.23Å; A954-L958 PolarHBondContact O-N 3.01Å; A955-L958 PolarHBondContact O-N 2.57Å; E956-L958 VanDerWaalsContact C-N 3.25Å; E956-L958 PolarHBondContact O-N 3.39Å; L958-C961 WeakPolarHBondContact O-CB 3.4Å; L958-M965 HydrophobicContact CD1-CE 4Å; L958-M965 HydrophobicContact CD1-SD 3.9Å; L958-F970 HydrophobicContact CD1-CD2 4.07Å; L958-F970 HydrophobicContact CD1-CE2 4.19Å; L958-F970 HydrophobicContact CD2-CD2 4.3Å; L958-F970 HydrophobicContact CD2-CE1 4.35Å; L958-F970 HydrophobicContact CD2-CE2 4.01Å; L958-F970 HydrophobicContact CD2-CZ 4.04Å; L958-F970 HydrophobicContact CG-CD2 4.05Å; L958-F970 HydrophobicContact CG-CE2 3.68Å; L958-F970 HydrophobicContact CG-CZ 4.13Å; L958-K973 HydrophobicContact CD1-CB 4.07Å; L958-K973 HydrophobicContact CD1-CD 3.82Å; L958-K973 HydrophobicContact CD2-CB 3.87Å; L958-I977 HydrophobicContact CB-CD1 4.13Å; L958-I977 HydrophobicContact CD2-CD1 3.67Å; L958-V990 HydrophobicContact CD2-CG1 3.9Å |
| 959 | L | 75.1 | Confident | 75.2 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.3 | -35.7 | 177 | -73.3 | 171.7 | 0 | 0 | 0 | 112.9 | A955 E956 C961 L986 V990 I993 | A955-L959 WeakPolarHBondContact O-CB 3.32Å; A955-L959 WeakPolarHBondContact O-CG 3.12Å; A955-L959 PolarHBondContact O-N 3.13Å; E956-L959 PolarHBondContact O-N 3.49Å; E956-L959 VanDerWaalsContact O-N 3.14Å; L959-C961 PolarHBondContact O-N 3.06Å; L959-L986 HydrophobicContact CD1-CD1 3.81Å; L959-V990 HydrophobicContact CD1-CG2 3.67Å; L959-V990 HydrophobicContact CD2-CG2 3.98Å; L959-V990 HydrophobicContact CG-CG2 3.65Å; L959-I993 HydrophobicContact CD2-CD1 4.09Å |
| 960 | S | 74.8 | Confident | 75.1 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 62% | 0.615 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 9.5 | 177.2 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | E956 D962 | E956-S960 WeakPolarHBondContact O-CB 3.3Å; E956-S960 PolarHBondContact O-N 3.05Å; E956-S960 PolarHBondContact O-OG 3.23Å; E956-S960 VanDerWaalsContact O-OG 3.06Å; S960-D962 PolarHBondContact O-N 3.3Å; S960-D962 VanDerWaalsContact O-N 3.13Å |
| 961 | C | 69.6 | Low | 74.7 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | trans | -80.1 | 95.8 | -174.3 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | A957 L958 L959 R963 M965 | A957-C961 WeakPolarHBondContact O-CB 3.47Å; L958-C961 WeakPolarHBondContact O-CB 3.4Å; L959-C961 PolarHBondContact O-N 3.06Å; C961-R963 PolarHBondContact O-N 3.35Å; C961-M965 HydrophobicContact CB-CE 3.81Å; C961-M965 VanDerWaalsContact SG-CE 3.58Å | ||
| 962 | D | 60.3 | Low | 74.7 | Confident | 168 Ų | 168 | 57 Ų | 57 | 90% | 0.898 | 31% | 0.309 | S | S | * | . | trans | -55.5 | -15.1 | 173.7 | -86.7 | -31.3 | 0 | 0 | 0 | 114.6 | S960 K964 | S960-D962 PolarHBondContact O-N 3.3Å; S960-D962 VanDerWaalsContact O-N 3.13Å; D962-K964 PolarHBondContact O-N 3.07Å; D962-K964 VanDerWaalsContact O-N 3.14Å | ||
| 963 | R | 63.7 | Low | 74.7 | Confident | 209 Ų | 209 | 60.8 Ų | 60.8 | 79% | 0.789 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -77.5 | 100.6 | 174.6 | -67.2 | -172.7 | 178.4 | -170.4 | 1.9 | 110.3 | C961 M965 | C961-R963 PolarHBondContact O-N 3.35Å; R963-M965 WeakPolarHBondContact O-CE 3.23Å; R963-M965 PolarHBondContact O-N 2.75Å |
| 964 | K | 63.3 | Low | 74.6 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | trans | -39.3 | 127.9 | 164.6 | -66 | -171.5 | 168.7 | -150.2 | 0 | 111.5 | D962 L1032 | D962-K964 PolarHBondContact O-N 3.07Å; D962-K964 VanDerWaalsContact O-N 3.14Å; K964-L1032 WeakPolarHBondContact CD-O 3.38Å; K964-L1032 WeakPolarHBondContact CE-O 3.22Å; K964-L1032 PolarHBondContact NZ-O 3.43Å | ||
| 965 | M | 71.1 | Confident | 74.6 | Confident | 19 Ų | 19 | 65 Ų | 65 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | trans | -138.3 | 154.8 | -179.2 | 62.3 | -173.9 | 84.3 | 0 | 0 | 110.3 | L958 C961 R963 T969 F970 V1030 | L958-M965 HydrophobicContact CD1-CE 4Å; L958-M965 HydrophobicContact CD1-SD 3.9Å; C961-M965 HydrophobicContact CB-CE 3.81Å; C961-M965 VanDerWaalsContact SG-CE 3.58Å; R963-M965 WeakPolarHBondContact O-CE 3.23Å; R963-M965 PolarHBondContact O-N 2.75Å; M965-T969 HydrophobicContact CB-CG2 4.31Å; M965-F970 HydrophobicContact CG-CB 4.11Å; M965-F970 HydrophobicContact CG-CD2 4.49Å; M965-F970 HydrophobicContact SD-CB 3.92Å; M965-F970 HydrophobicContact SD-CD2 3.89Å; M965-F970 HydrophobicContact SD-CG 4.37Å; M965-V1030 HydrophobicContact CE-CG1 3.93Å; M965-V1030 HydrophobicContact CG-CG1 3.78Å; M965-V1030 PolarHBondContact N-O 2.91Å; M965-V1030 HydrophobicContact SD-CG1 4.33Å | ||
| 966 | T | 71 | Confident | 74.5 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | trans | -68.4 | 154.3 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | D968 T969 F970 P1034 | T966-D968 PolarHBondContact O-N 2.86Å; T966-T969 PolarHBondContact O-N 3Å; T966-T969 WeakPolarHBondContact OG1-CB 3.45Å; T966-T969 PolarHBondContact OG1-N 3.07Å; T966-T969 PolarHBondContact OG1-OG1 3.35Å; T966-F970 PolarHBondContact O-N 3.18Å; T966-P1034 HydrophobicContact CG2-CG 4.28Å | ||
| 967 | A | 68.7 | Low | 74.3 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 12% | 0.116 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52.3 | -45.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T969 F970 A971 A997 N1001 F1031 | A967-T969 VanDerWaalsContact C-N 3.31Å; A967-T969 PolarHBondContact O-N 3.01Å; A967-F970 PolarHBondContact O-N 2.63Å; A967-A971 VanDerWaalsContact O-CB 3.3Å; A967-A971 WeakPolarHBondContact O-CB 3.42Å; A967-A971 PolarHBondContact O-N 2.88Å; A967-A997 HydrophobicContact CB-CB 3.95Å; A967-N1001 HydrophobicContact CB-CB 4.07Å; A967-F1031 HydrophobicContact CB-CD1 4.28Å; A967-F1031 HydrophobicContact CB-CE1 4.39Å |
| 968 | D | 72.5 | Confident | 74.1 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.3 | -35.5 | 179.5 | -52.9 | 19.1 | 0 | 0 | 0 | 112 | T966 A972 N1001 R1005 | T966-D968 PolarHBondContact O-N 2.86Å; D968-A972 WeakPolarHBondContact O-CB 3.28Å; D968-A972 PolarHBondContact O-N 3.47Å; D968-A972 VanDerWaalsContact O-N 3.08Å; D968-N1001 PolarHBondContact OD1-ND2 3.37Å; D968-R1005 IonicContact OD1-NH2 2.68Å; D968-R1005 PolarHBondContact OD1-NH2 3.05Å; D968-R1005 IonicContact OD2-CZ 3.58Å; D968-R1005 IonicContact OD2-NH2 3.54Å; D968-R1005 PolarHBondContact OD2-NH2 3.47Å |
| 969 | T | 78 | Confident | 73.6 | Confident | 68 Ų | 68 | 77.9 Ų | 77.9 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -76.3 | -41.2 | 174.5 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | M965 T966 A967 A971 A972 K973 | M965-T969 HydrophobicContact CB-CG2 4.31Å; T966-T969 PolarHBondContact O-N 3Å; T966-T969 WeakPolarHBondContact OG1-CB 3.45Å; T966-T969 PolarHBondContact OG1-N 3.07Å; T966-T969 PolarHBondContact OG1-OG1 3.35Å; A967-T969 VanDerWaalsContact C-N 3.31Å; A967-T969 PolarHBondContact O-N 3.01Å; T969-A971 VanDerWaalsContact C-N 3.33Å; T969-A972 PolarHBondContact O-N 2.8Å; T969-K973 PolarHBondContact O-N 2.91Å |
| 970 | F | 80.9 | Confident | 73.2 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 174 | -176.2 | -79.2 | 0 | 0 | 0 | 110.4 | L958 M965 T966 A967 A972 K973 A974 V990 I993 A994 V1030 F1031 | L958-F970 HydrophobicContact CD1-CD2 4.07Å; L958-F970 HydrophobicContact CD1-CE2 4.19Å; L958-F970 HydrophobicContact CD2-CD2 4.3Å; L958-F970 HydrophobicContact CD2-CE1 4.35Å; L958-F970 HydrophobicContact CD2-CE2 4.01Å; L958-F970 HydrophobicContact CD2-CZ 4.04Å; L958-F970 HydrophobicContact CG-CD2 4.05Å; L958-F970 HydrophobicContact CG-CE2 3.68Å; L958-F970 HydrophobicContact CG-CZ 4.13Å; M965-F970 HydrophobicContact CG-CB 4.11Å; M965-F970 HydrophobicContact CG-CD2 4.49Å; M965-F970 HydrophobicContact SD-CB 3.92Å; M965-F970 HydrophobicContact SD-CD2 3.89Å; M965-F970 HydrophobicContact SD-CG 4.37Å; T966-F970 PolarHBondContact O-N 3.18Å; A967-F970 PolarHBondContact O-N 2.63Å; F970-A972 PolarHBondContact O-N 3.32Å; F970-K973 PolarHBondContact O-N 2.79Å; F970-K973 VanDerWaalsContact O-N 3.17Å; F970-A974 HydrophobicContact CD1-CB 4.36Å; F970-A974 HydrophobicContact CE1-CB 4.24Å; F970-A974 WeakPolarHBondContact O-CB 3.32Å; F970-A974 PolarHBondContact O-N 3.44Å; F970-V990 HydrophobicContact CE1-CG1 4.13Å; F970-V990 HydrophobicContact CZ-CG1 4.1Å; F970-I993 HydrophobicContact CE1-CB 4.45Å; F970-I993 HydrophobicContact CE1-CG2 3.84Å; F970-I993 HydrophobicContact CZ-CG2 3.89Å; F970-A994 HydrophobicContact CD1-CB 3.95Å; F970-A994 HydrophobicContact CE1-CB 4.04Å; F970-V1030 HydrophobicContact CD2-CG1 4.49Å; F970-F1031 HydrophobicContact CB-CE1 3.68Å; F970-F1031 HydrophobicContact CB-CZ 3.94Å; F970-F1031 HydrophobicContact CD1-CE1 4Å; F970-F1031 AromaticContact CD1-CZ 3.48Å; F970-F1031 HydrophobicContact CD1-CZ 3.48Å; F970-F1031 VanDerWaalsContact CD1-CZ 3.48Å; F970-F1031 HydrophobicContact CD2-CE1 4.22Å; F970-F1031 HydrophobicContact CD2-CE2 4.25Å; F970-F1031 AromaticContact CD2-CZ 3.66Å; F970-F1031 HydrophobicContact CD2-CZ 3.66Å; F970-F1031 AromaticContact CE1-CZ 3.81Å; F970-F1031 HydrophobicContact CE1-CZ 3.81Å; F970-F1031 HydrophobicContact CE2-CE2 4.26Å; F970-F1031 AromaticContact CE2-CZ 3.97Å; F970-F1031 HydrophobicContact CE2-CZ 3.97Å; F970-F1031 AromaticContact CG-CE1 3.71Å; F970-F1031 HydrophobicContact CG-CE1 3.71Å; F970-F1031 HydrophobicContact CG-CE2 4.4Å; F970-F1031 AromaticContact CG-CZ 3.4Å; F970-F1031 HydrophobicContact CG-CZ 3.4Å; F970-F1031 HydrophobicContact CZ-CE2 4.42Å; F970-F1031 HydrophobicContact CZ-CZ 4.04Å |
| 971 | A | 78.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.9 | -33.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A967 T969 A974 R975 A994 E998 | A967-A971 VanDerWaalsContact O-CB 3.3Å; A967-A971 WeakPolarHBondContact O-CB 3.42Å; A967-A971 PolarHBondContact O-N 2.88Å; T969-A971 VanDerWaalsContact C-N 3.33Å; A971-A974 PolarHBondContact O-N 3.22Å; A971-R975 VanDerWaalsContact O-CB 3.29Å; A971-R975 WeakPolarHBondContact O-CB 3.26Å; A971-R975 VanDerWaalsContact O-CG 3.28Å; A971-R975 WeakPolarHBondContact O-CG 3.45Å; A971-R975 PolarHBondContact O-N 2.84Å; A971-R975 PolarHBondContact O-NE 3.5Å; A971-A994 HydrophobicContact CB-CB 3.92Å; A971-E998 VanDerWaalsContact CB-CD 3.42Å; A971-E998 HydrophobicContact CB-CG 3.6Å; A971-E998 WeakPolarHBondContact CB-OE1 3.49Å |
| 972 | A | 80.7 | Confident | 72.1 | Confident | 48 Ų | 48 | 77.7 Ų | 77.7 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | D968 T969 F970 R975 E976 | D968-A972 WeakPolarHBondContact O-CB 3.28Å; D968-A972 PolarHBondContact O-N 3.47Å; D968-A972 VanDerWaalsContact O-N 3.08Å; T969-A972 PolarHBondContact O-N 2.8Å; F970-A972 PolarHBondContact O-N 3.32Å; A972-R975 PolarHBondContact O-N 3.2Å; A972-E976 PolarHBondContact O-N 2.66Å; A972-E976 VanDerWaalsContact O-N 3.1Å |
| 973 | K | 80.5 | Confident | 72.1 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | 176.7 | -70 | -168.2 | 169.2 | -157.7 | 0 | 113.3 | L958 T969 F970 R975 E976 I977 | L958-K973 HydrophobicContact CD1-CB 4.07Å; L958-K973 HydrophobicContact CD1-CD 3.82Å; L958-K973 HydrophobicContact CD2-CB 3.87Å; T969-K973 PolarHBondContact O-N 2.91Å; F970-K973 PolarHBondContact O-N 2.79Å; F970-K973 VanDerWaalsContact O-N 3.17Å; K973-R975 VanDerWaalsContact C-N 3.29Å; K973-R975 PolarHBondContact O-N 3.13Å; K973-E976 WeakPolarHBondContact O-CB 3.37Å; K973-E976 PolarHBondContact O-N 2.92Å; K973-E976 VanDerWaalsContact O-N 3.09Å; K973-I977 WeakPolarHBondContact O-CG1 3.5Å; K973-I977 PolarHBondContact O-N 3.3Å |
| 974 | A | 80.6 | Confident | 72.4 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F970 A971 E976 I977 Y978 V990 A994 | F970-A974 HydrophobicContact CD1-CB 4.36Å; F970-A974 HydrophobicContact CE1-CB 4.24Å; F970-A974 WeakPolarHBondContact O-CB 3.32Å; F970-A974 PolarHBondContact O-N 3.44Å; A971-A974 PolarHBondContact O-N 3.22Å; A974-E976 VanDerWaalsContact C-N 3.29Å; A974-E976 PolarHBondContact O-N 3.19Å; A974-I977 PolarHBondContact O-N 3.01Å; A974-Y978 WeakPolarHBondContact O-CB 3.29Å; A974-Y978 PolarHBondContact O-N 3Å; A974-V990 HydrophobicContact CB-CG1 3.75Å; A974-A994 HydrophobicContact CB-CB 3.57Å |
| 975 | R | 80.4 | Confident | 73 | Confident | 131 Ų | 131 | 61.5 Ų | 61.5 | 49% | 0.494 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71.1 | -19.2 | 173.9 | -74.7 | -174.2 | -96.2 | 109.6 | -8.2 | 113.8 | A971 A972 K973 Q979 E998 | A971-R975 VanDerWaalsContact O-CB 3.29Å; A971-R975 WeakPolarHBondContact O-CB 3.26Å; A971-R975 VanDerWaalsContact O-CG 3.28Å; A971-R975 WeakPolarHBondContact O-CG 3.45Å; A971-R975 PolarHBondContact O-N 2.84Å; A971-R975 PolarHBondContact O-NE 3.5Å; A972-R975 PolarHBondContact O-N 3.2Å; K973-R975 VanDerWaalsContact C-N 3.29Å; K973-R975 PolarHBondContact O-N 3.13Å; R975-Q979 PolarHBondContact O-NE2 3.06Å; R975-E998 IonicContact CZ-OE1 3.28Å; R975-E998 IonicContact NE-OE1 2.79Å; R975-E998 IonicContact NH2-OE1 2.76Å; R975-E998 PolarHBondContact NH2-OE1 2.91Å |
| 976 | E | 76.7 | Confident | 73.3 | Confident | 134 Ų | 134 | 62.6 Ų | 62.6 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -77.5 | -48 | 169.6 | -170.1 | 179.5 | 177.9 | 0 | 0 | 110.5 | A972 K973 A974 Y978 Q979 | A972-E976 PolarHBondContact O-N 2.66Å; A972-E976 VanDerWaalsContact O-N 3.1Å; K973-E976 WeakPolarHBondContact O-CB 3.37Å; K973-E976 PolarHBondContact O-N 2.92Å; K973-E976 VanDerWaalsContact O-N 3.09Å; A974-E976 VanDerWaalsContact C-N 3.29Å; A974-E976 PolarHBondContact O-N 3.19Å; E976-Y978 VanDerWaalsContact C-N 3.27Å; E976-Y978 PolarHBondContact O-N 2.8Å; E976-Q979 PolarHBondContact O-N 3.5Å |
| 977 | I | 77 | Confident | 73.7 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -32.6 | 177.8 | -60.3 | 164.3 | 0 | 0 | 0 | 111.7 | A954 A955 L958 K973 A974 Q979 V980 V987 | A954-I977 HydrophobicContact CB-CD1 4.02Å; A954-I977 HydrophobicContact CB-CG1 3.81Å; A954-I977 HydrophobicContact CB-CG2 4.39Å; A954-I977 WeakPolarHBondContact O-CD1 3.35Å; A955-I977 HydrophobicContact CB-CG2 4.42Å; L958-I977 HydrophobicContact CB-CD1 4.13Å; L958-I977 HydrophobicContact CD2-CD1 3.67Å; K973-I977 WeakPolarHBondContact O-CG1 3.5Å; K973-I977 PolarHBondContact O-N 3.3Å; A974-I977 PolarHBondContact O-N 3.01Å; I977-Q979 PolarHBondContact O-N 3.19Å; I977-V980 WeakPolarHBondContact O-CG2 3.49Å; I977-V987 HydrophobicContact CG2-CG1 4.01Å; I977-V987 HydrophobicContact CG2-CG2 4.08Å |
| 978 | Y | 73.5 | Confident | 74.2 | Confident | 126 Ų | 126 | 63.7 Ų | 63.7 | 49% | 0.494 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -5.1 | 178.5 | -170.6 | -112.6 | 0 | 0 | 0 | 115 | A974 E976 V980 A983 V987 L988 V991 | A974-Y978 WeakPolarHBondContact O-CB 3.29Å; A974-Y978 PolarHBondContact O-N 3Å; E976-Y978 VanDerWaalsContact C-N 3.27Å; E976-Y978 PolarHBondContact O-N 2.8Å; Y978-V980 PolarHBondContact O-N 3.38Å; Y978-A983 HydrophobicContact CD2-CB 4.45Å; Y978-A983 HydrophobicContact CE2-CB 4.37Å; Y978-V987 HydrophobicContact CD2-CG1 4.46Å; Y978-L988 HydrophobicContact CE2-CD2 4.07Å; Y978-V991 HydrophobicContact CD2-CG2 3.73Å; Y978-V991 HydrophobicContact CG-CG2 3.89Å |
| 979 | Q | 69.8 | Low | 74.5 | Confident | 161 Ų | 161 | 66.6 Ų | 66.6 | 75% | 0.752 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -1.2 | 177.5 | -63.4 | -179.5 | 36.9 | 0 | 0 | 113.6 | R975 E976 I977 | R975-Q979 PolarHBondContact O-NE2 3.06Å; E976-Q979 PolarHBondContact O-N 3.5Å; I977-Q979 PolarHBondContact O-N 3.19Å |
| 980 | V | 65.6 | Low | 74.7 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -71.3 | 130.4 | 174.7 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | E947 I977 Y978 V982 | E947-V980 HydrophobicContact CB-CG1 4.21Å; E947-V980 WeakPolarHBondContact O-CG1 3.42Å; I977-V980 WeakPolarHBondContact O-CG2 3.49Å; Y978-V980 PolarHBondContact O-N 3.38Å; V980-V982 PolarHBondContact O-N 3.46Å; V980-V982 VanDerWaalsContact O-N 3.13Å |
| 981 | P | 59.5 | Low | 74.6 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 58% | 0.584 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -68.7 | -11.8 | -173.7 | 27.9 | -37.6 | 0 | 0 | 0 | 115 | E947 | E947-P981 WeakPolarHBondContact OE2-CD 3.47Å; E947-P981 WeakPolarHBondContact OE2-CG 3.3Å |
| 982 | V | 61.5 | Low | 74.8 | Confident | 62 Ų | 62 | 70.1 Ų | 70.1 | 38% | 0.376 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -132.1 | 95.1 | 175.2 | -175 | 0 | 0 | 0 | 0 | 108.8 | V980 | V980-V982 PolarHBondContact O-N 3.46Å; V980-V982 VanDerWaalsContact O-N 3.13Å |
| 983 | A | 61.1 | Low | 74.7 | Confident | 33 Ų | 33 | 69 Ų | 69 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | trans | -88.7 | 120.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y978 V987 L988 | Y978-A983 HydrophobicContact CD2-CB 4.45Å; Y978-A983 HydrophobicContact CE2-CB 4.37Å; A983-V987 HydrophobicContact CB-CB 4.21Å; A983-V987 HydrophobicContact CB-CG1 3.93Å; A983-L988 HydrophobicContact CB-CD2 4.23Å; A983-L988 HydrophobicContact CB-CG 4.25Å | ||
| 984 | D | 70.3 | Confident | 74.6 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | trans | -74.2 | 166.7 | 172.5 | -152.3 | -70.8 | 0 | 0 | 0 | 111.7 | Q948 D952 L986 V987 L988 | Q948-D984 PolarHBondContact NE2-OD2 3.03Å; D952-D984 WeakPolarHBondContact OD1-CB 3.34Å; D984-L986 PolarHBondContact O-N 3.36Å; D984-L986 VanDerWaalsContact O-N 3.11Å; D984-V987 PolarHBondContact O-N 3.45Å; D984-V987 VanDerWaalsContact O-N 3.09Å; D984-L988 WeakPolarHBondContact O-CG 3.43Å; D984-L988 PolarHBondContact O-N 3.41Å | ||
| 985 | S | 75.3 | Confident | 74.6 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 60% | 0.601 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -45.4 | -35 | 169.1 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | K989 | S985-K989 VanDerWaalsContact O-CB 3.24Å; S985-K989 WeakPolarHBondContact O-CB 3.26Å; S985-K989 PolarHBondContact O-N 2.97Å |
| 986 | L | 77.8 | Confident | 74.5 | Confident | 42 Ų | 42 | 64.8 Ų | 64.8 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.6 | -45.9 | 178.1 | -171 | 66.2 | 0 | 0 | 0 | 112.3 | A955 E956 L959 D984 L988 K989 V990 | A955-L986 HydrophobicContact CB-CD2 4.21Å; A955-L986 HydrophobicContact CB-CG 4.14Å; E956-L986 HydrophobicContact CG-CD2 3.53Å; L959-L986 HydrophobicContact CD1-CD1 3.81Å; D984-L986 PolarHBondContact O-N 3.36Å; D984-L986 VanDerWaalsContact O-N 3.11Å; L986-L988 VanDerWaalsContact C-N 3.35Å; L986-K989 WeakPolarHBondContact O-CB 3.27Å; L986-K989 PolarHBondContact O-N 3.17Å; L986-V990 PolarHBondContact O-N 3.38Å |
| 987 | V | 78.6 | Confident | 74.4 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | A955 I977 Y978 A983 D984 K989 V990 V991 | A955-V987 HydrophobicContact CB-CG2 4.18Å; I977-V987 HydrophobicContact CG2-CG1 4.01Å; I977-V987 HydrophobicContact CG2-CG2 4.08Å; Y978-V987 HydrophobicContact CD2-CG1 4.46Å; A983-V987 HydrophobicContact CB-CB 4.21Å; A983-V987 HydrophobicContact CB-CG1 3.93Å; D984-V987 PolarHBondContact O-N 3.45Å; D984-V987 VanDerWaalsContact O-N 3.09Å; V987-K989 VanDerWaalsContact C-N 3.31Å; V987-K989 PolarHBondContact O-N 3.5Å; V987-V990 WeakPolarHBondContact O-CB 3.43Å; V987-V990 PolarHBondContact O-N 2.98Å; V987-V991 WeakPolarHBondContact O-CG2 3.26Å; V987-V991 PolarHBondContact O-N 2.89Å |
| 988 | L | 79.2 | Confident | 74.3 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 45% | 0.45 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 175.7 | -67.8 | 172.3 | 0 | 0 | 0 | 112.2 | Y978 A983 D984 L986 V991 Q992 | Y978-L988 HydrophobicContact CE2-CD2 4.07Å; A983-L988 HydrophobicContact CB-CD2 4.23Å; A983-L988 HydrophobicContact CB-CG 4.25Å; D984-L988 WeakPolarHBondContact O-CG 3.43Å; D984-L988 PolarHBondContact O-N 3.41Å; L986-L988 VanDerWaalsContact C-N 3.35Å; L988-V991 PolarHBondContact O-N 3.29Å; L988-Q992 WeakPolarHBondContact O-CB 3.48Å; L988-Q992 PolarHBondContact O-N 3.44Å |
| 989 | K | 79.6 | Confident | 74.6 | Confident | 130 Ų | 130 | 56.8 Ų | 56.8 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.7 | -40.7 | 174.5 | -173.6 | 177 | -178.5 | -178.6 | 0 | 112 | S985 L986 V987 Q992 I993 | S985-K989 VanDerWaalsContact O-CB 3.24Å; S985-K989 WeakPolarHBondContact O-CB 3.26Å; S985-K989 PolarHBondContact O-N 2.97Å; L986-K989 WeakPolarHBondContact O-CB 3.27Å; L986-K989 PolarHBondContact O-N 3.17Å; V987-K989 VanDerWaalsContact C-N 3.31Å; V987-K989 PolarHBondContact O-N 3.5Å; K989-Q992 PolarHBondContact O-N 2.86Å; K989-I993 HydrophobicContact CG-CD1 4.08Å; K989-I993 WeakPolarHBondContact O-CB 3.07Å; K989-I993 WeakPolarHBondContact O-CD1 3.42Å; K989-I993 WeakPolarHBondContact O-CG1 3.34Å; K989-I993 PolarHBondContact O-N 3.03Å |
| 990 | V | 81.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 172.9 | 165.6 | 0 | 0 | 0 | 0 | 111.5 | A955 L958 L959 F970 A974 L986 V987 I993 A994 | A955-V990 HydrophobicContact CB-CG2 3.91Å; L958-V990 HydrophobicContact CD2-CG1 3.9Å; L959-V990 HydrophobicContact CD1-CG2 3.67Å; L959-V990 HydrophobicContact CD2-CG2 3.98Å; L959-V990 HydrophobicContact CG-CG2 3.65Å; F970-V990 HydrophobicContact CE1-CG1 4.13Å; F970-V990 HydrophobicContact CZ-CG1 4.1Å; A974-V990 HydrophobicContact CB-CG1 3.75Å; L986-V990 PolarHBondContact O-N 3.38Å; V987-V990 WeakPolarHBondContact O-CB 3.43Å; V987-V990 PolarHBondContact O-N 2.98Å; V990-I993 PolarHBondContact O-N 3.3Å; V990-A994 PolarHBondContact O-N 2.86Å |
| 991 | V | 80 | Confident | 75.1 | Confident | 24 Ų | 24 | 49.5 Ų | 49.5 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | Y978 V987 L988 I993 A994 I995 | Y978-V991 HydrophobicContact CD2-CG2 3.73Å; Y978-V991 HydrophobicContact CG-CG2 3.89Å; V987-V991 WeakPolarHBondContact O-CG2 3.26Å; V987-V991 PolarHBondContact O-N 2.89Å; L988-V991 PolarHBondContact O-N 3.29Å; V991-I993 VanDerWaalsContact C-N 3.32Å; V991-I993 PolarHBondContact O-N 2.84Å; V991-A994 WeakPolarHBondContact O-CB 3.37Å; V991-A994 PolarHBondContact O-N 3.03Å; V991-A994 VanDerWaalsContact O-N 3.16Å; V991-I995 HydrophobicContact CG1-CD1 3.91Å; V991-I995 HydrophobicContact CG1-CG1 4.5Å; V991-I995 WeakPolarHBondContact O-CG1 3.25Å; V991-I995 PolarHBondContact O-N 3.3Å |
| 992 | Q | 80.9 | Confident | 75.7 | Confident | 118 Ų | 118 | 48.4 Ų | 48.4 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.2 | -38.9 | 175.8 | -174.2 | 59.9 | 59.6 | 0 | 0 | 112.1 | L988 K989 I995 E996 | L988-Q992 WeakPolarHBondContact O-CB 3.48Å; L988-Q992 PolarHBondContact O-N 3.44Å; K989-Q992 PolarHBondContact O-N 2.86Å; Q992-I995 PolarHBondContact O-N 2.89Å; Q992-E996 PolarHBondContact O-N 2.97Å |
| 993 | I | 79.1 | Confident | 76.2 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 172.8 | -74.1 | 164.1 | 0 | 0 | 0 | 110.9 | L959 F970 K989 V990 V991 E996 A997 P1028 F1031 | L959-I993 HydrophobicContact CD2-CD1 4.09Å; F970-I993 HydrophobicContact CE1-CB 4.45Å; F970-I993 HydrophobicContact CE1-CG2 3.84Å; F970-I993 HydrophobicContact CZ-CG2 3.89Å; K989-I993 HydrophobicContact CG-CD1 4.08Å; K989-I993 WeakPolarHBondContact O-CB 3.07Å; K989-I993 WeakPolarHBondContact O-CD1 3.42Å; K989-I993 WeakPolarHBondContact O-CG1 3.34Å; K989-I993 PolarHBondContact O-N 3.03Å; V990-I993 PolarHBondContact O-N 3.3Å; V991-I993 VanDerWaalsContact C-N 3.32Å; V991-I993 PolarHBondContact O-N 2.84Å; I993-E996 PolarHBondContact O-N 2.86Å; I993-A997 VanDerWaalsContact O-CB 3.28Å; I993-A997 WeakPolarHBondContact O-CB 3.39Å; I993-A997 PolarHBondContact O-N 3.47Å; I993-P1028 HydrophobicContact CD1-CG 3.99Å; I993-P1028 HydrophobicContact CG1-CG 4.43Å; I993-P1028 HydrophobicContact CG2-CG 3.92Å; I993-F1031 HydrophobicContact CG2-CE2 3.46Å; I993-F1031 VanDerWaalsContact CG2-CE2 3.46Å; I993-F1031 HydrophobicContact CG2-CZ 3.65Å |
| 994 | A | 79 | Confident | 76.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F970 A971 A974 V990 V991 A997 E998 | F970-A994 HydrophobicContact CD1-CB 3.95Å; F970-A994 HydrophobicContact CE1-CB 4.04Å; A971-A994 HydrophobicContact CB-CB 3.92Å; A974-A994 HydrophobicContact CB-CB 3.57Å; V990-A994 PolarHBondContact O-N 2.86Å; V991-A994 WeakPolarHBondContact O-CB 3.37Å; V991-A994 PolarHBondContact O-N 3.03Å; V991-A994 VanDerWaalsContact O-N 3.16Å; A994-A997 PolarHBondContact O-N 2.87Å; A994-E998 WeakPolarHBondContact O-CG 3.48Å; A994-E998 PolarHBondContact O-N 3.05Å |
| 995 | I | 79.5 | Confident | 76.5 | Confident | 88 Ų | 88 | 49.4 Ų | 49.4 | 45% | 0.451 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 177.6 | -68.8 | 164.6 | 0 | 0 | 0 | 110.9 | V991 Q992 E998 S999 | V991-I995 HydrophobicContact CG1-CD1 3.91Å; V991-I995 HydrophobicContact CG1-CG1 4.5Å; V991-I995 WeakPolarHBondContact O-CG1 3.25Å; V991-I995 PolarHBondContact O-N 3.3Å; Q992-I995 PolarHBondContact O-N 2.89Å; I995-E998 PolarHBondContact O-N 3.14Å; I995-S999 WeakPolarHBondContact O-CB 3.49Å; I995-S999 PolarHBondContact O-N 3.09Å |
| 996 | E | 78.9 | Confident | 76.1 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 24% | 0.243 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 177.6 | -176.1 | 58.5 | -166.7 | 0 | 0 | 111.6 | Q992 I993 S999 V1000 R1023 L1027 | Q992-E996 PolarHBondContact O-N 2.97Å; I993-E996 PolarHBondContact O-N 2.86Å; E996-S999 PolarHBondContact O-N 2.58Å; E996-V1000 WeakPolarHBondContact O-CB 3.5Å; E996-V1000 VanDerWaalsContact O-CG2 3.3Å; E996-V1000 WeakPolarHBondContact O-CG2 3.14Å; E996-V1000 PolarHBondContact O-N 2.86Å; E996-R1023 IonicContact OE1-CZ 3.82Å; E996-R1023 IonicContact OE1-NE 2.77Å; E996-R1023 PolarHBondContact OE1-NE 2.97Å; E996-R1023 IonicContact OE1-NH2 3.88Å; E996-R1023 PolarHBondContact OE1-NH2 2.86Å; E996-R1023 IonicContact OE2-CZ 2.76Å; E996-R1023 IonicContact OE2-NH2 3.06Å; E996-R1023 PolarHBondContact OE2-NH2 2.83Å; E996-L1027 HydrophobicContact CB-CD2 4.14Å; E996-L1027 HydrophobicContact CG-CD2 3.93Å |
| 997 | A | 74.1 | Confident | 75.6 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A967 I993 A994 N1001 L1027 F1031 | A967-A997 HydrophobicContact CB-CB 3.95Å; I993-A997 VanDerWaalsContact O-CB 3.28Å; I993-A997 WeakPolarHBondContact O-CB 3.39Å; I993-A997 PolarHBondContact O-N 3.47Å; A994-A997 PolarHBondContact O-N 2.87Å; A997-N1001 WeakPolarHBondContact O-CB 3.35Å; A997-N1001 PolarHBondContact O-N 2.64Å; A997-L1027 HydrophobicContact CB-CD1 4.2Å; A997-L1027 HydrophobicContact CB-CD2 4.05Å; A997-F1031 HydrophobicContact CB-CD1 3.69Å; A997-F1031 HydrophobicContact CB-CE1 3.23Å; A997-F1031 HydrophobicContact CB-CG 4.5Å; A997-F1031 HydrophobicContact CB-CZ 3.73Å |
| 998 | E | 76.8 | Confident | 74.8 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 172 | -74.6 | -176.1 | 147.9 | 0 | 0 | 111.1 | A971 R975 A994 I995 N1001 S1002 | A971-E998 VanDerWaalsContact CB-CD 3.42Å; A971-E998 HydrophobicContact CB-CG 3.6Å; A971-E998 WeakPolarHBondContact CB-OE1 3.49Å; R975-E998 IonicContact CZ-OE1 3.28Å; R975-E998 IonicContact NE-OE1 2.79Å; R975-E998 IonicContact NH2-OE1 2.76Å; R975-E998 PolarHBondContact NH2-OE1 2.91Å; A994-E998 WeakPolarHBondContact O-CG 3.48Å; A994-E998 PolarHBondContact O-N 3.05Å; I995-E998 PolarHBondContact O-N 3.14Å; E998-N1001 PolarHBondContact O-N 3.06Å; E998-S1002 WeakPolarHBondContact O-CB 3.18Å; E998-S1002 PolarHBondContact O-N 3.5Å; E998-S1002 PolarHBondContact O-OG 3.28Å |
| 999 | S | 78.3 | Confident | 74.1 | Confident | 43 Ų | 43 | 58 Ų | 58 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.5 | -51.7 | 174.8 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | I995 E996 N1001 S1002 E1003 R1023 | I995-S999 WeakPolarHBondContact O-CB 3.49Å; I995-S999 PolarHBondContact O-N 3.09Å; E996-S999 PolarHBondContact O-N 2.58Å; S999-N1001 VanDerWaalsContact C-N 3.34Å; S999-N1001 PolarHBondContact O-N 3.28Å; S999-S1002 PolarHBondContact O-N 2.76Å; S999-S1002 PolarHBondContact O-OG 3.07Å; S999-E1003 PolarHBondContact O-N 3.09Å; S999-R1023 PolarHBondContact OG-NH2 2.98Å |
| 1000 | V | 73.2 | Confident | 73.1 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.5 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | E996 S1002 E1003 V1004 R1023 I1024 L1027 | E996-V1000 WeakPolarHBondContact O-CB 3.5Å; E996-V1000 VanDerWaalsContact O-CG2 3.3Å; E996-V1000 WeakPolarHBondContact O-CG2 3.14Å; E996-V1000 PolarHBondContact O-N 2.86Å; V1000-S1002 PolarHBondContact O-N 2.77Å; V1000-E1003 PolarHBondContact O-N 2.84Å; V1000-V1004 HydrophobicContact CG1-CG2 4.4Å; V1000-V1004 WeakPolarHBondContact O-CB 3.29Å; V1000-V1004 VanDerWaalsContact O-CG2 3.26Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.45Å; V1000-V1004 PolarHBondContact O-N 2.81Å; V1000-R1023 HydrophobicContact CG2-CB 3.83Å; V1000-I1024 HydrophobicContact CG1-CD1 4.37Å; V1000-I1024 HydrophobicContact CG1-CG1 3.55Å; V1000-L1027 HydrophobicContact CB-CD1 4.17Å; V1000-L1027 HydrophobicContact CG1-CD1 4.18Å; V1000-L1027 HydrophobicContact CG2-CD1 4.27Å |
| 1001 | N | 74 | Confident | 71.8 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 177.4 | -160.4 | 10.1 | 0 | 0 | 0 | 112.3 | A967 D968 A997 E998 S999 R1005 | A967-N1001 HydrophobicContact CB-CB 4.07Å; D968-N1001 PolarHBondContact OD1-ND2 3.37Å; A997-N1001 WeakPolarHBondContact O-CB 3.35Å; A997-N1001 PolarHBondContact O-N 2.64Å; E998-N1001 PolarHBondContact O-N 3.06Å; S999-N1001 VanDerWaalsContact C-N 3.34Å; S999-N1001 PolarHBondContact O-N 3.28Å; N1001-R1005 PolarHBondContact ND2-NH2 2.85Å; N1001-R1005 WeakPolarHBondContact O-CG 3.4Å; N1001-R1005 PolarHBondContact O-N 2.9Å; N1001-R1005 VanDerWaalsContact O-N 3.12Å |
| 1002 | S | 72.3 | Confident | 70.5 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 46% | 0.462 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 173.9 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | E998 S999 V1000 R1005 R1006 | E998-S1002 WeakPolarHBondContact O-CB 3.18Å; E998-S1002 PolarHBondContact O-N 3.5Å; E998-S1002 PolarHBondContact O-OG 3.28Å; S999-S1002 PolarHBondContact O-N 2.76Å; S999-S1002 PolarHBondContact O-OG 3.07Å; V1000-S1002 PolarHBondContact O-N 2.77Å; S1002-R1005 PolarHBondContact O-N 2.68Å; S1002-R1006 PolarHBondContact O-N 2.89Å |
| 1003 | E | 70.3 | Confident | 69.3 | Low | 42 Ų | 42 | 65.9 Ų | 65.9 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 177.4 | -171 | 59.3 | -132.7 | 0 | 0 | 111.8 | S999 V1000 R1005 R1006 V1007 L1020 | S999-E1003 PolarHBondContact O-N 3.09Å; V1000-E1003 PolarHBondContact O-N 2.84Å; E1003-R1005 VanDerWaalsContact C-N 3.31Å; E1003-R1005 PolarHBondContact O-N 3.22Å; E1003-R1006 VanDerWaalsContact CD-NE 3.35Å; E1003-R1006 PolarHBondContact O-N 3.17Å; E1003-R1006 IonicContact OE1-CZ 2.73Å; E1003-R1006 IonicContact OE1-NE 3.21Å; E1003-R1006 PolarHBondContact OE1-NE 3.08Å; E1003-R1006 IonicContact OE1-NH2 2.64Å; E1003-R1006 PolarHBondContact OE1-NH2 3.07Å; E1003-R1006 IonicContact OE2-CZ 3.16Å; E1003-R1006 IonicContact OE2-NE 3.58Å; E1003-R1006 PolarHBondContact OE2-NE 2.81Å; E1003-R1006 VanDerWaalsContact OE2-NE 3.12Å; E1003-R1006 IonicContact OE2-NH2 3.74Å; E1003-R1006 PolarHBondContact OE2-NH2 2.94Å; E1003-V1007 HydrophobicContact CG-CG2 4.47Å; E1003-V1007 WeakPolarHBondContact O-CB 3.04Å; E1003-V1007 WeakPolarHBondContact O-CG2 3.47Å; E1003-V1007 PolarHBondContact O-N 3.09Å; E1003-L1020 HydrophobicContact CB-CD1 3.92Å; E1003-L1020 HydrophobicContact CG-CD1 3.68Å |
| 1004 | V | 68.6 | Low | 68.1 | Low | 15 Ų | 15 | 70 Ų | 70 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.8 | -44.4 | 170.9 | 163.7 | 0 | 0 | 0 | 0 | 111.3 | V1000 M1008 L1020 I1024 L1035 | V1000-V1004 HydrophobicContact CG1-CG2 4.4Å; V1000-V1004 WeakPolarHBondContact O-CB 3.29Å; V1000-V1004 VanDerWaalsContact O-CG2 3.26Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.45Å; V1000-V1004 PolarHBondContact O-N 2.81Å; V1004-M1008 HydrophobicContact CG1-CE 3.5Å; V1004-M1008 VanDerWaalsContact CG1-CE 3.5Å; V1004-M1008 WeakPolarHBondContact O-CG 3.23Å; V1004-M1008 PolarHBondContact O-N 2.86Å; V1004-M1008 VanDerWaalsContact O-N 3.1Å; V1004-L1020 HydrophobicContact CG2-CD1 4.06Å; V1004-L1020 HydrophobicContact CG2-CD2 3.96Å; V1004-L1020 HydrophobicContact CG2-CG 4.26Å; V1004-I1024 HydrophobicContact CG2-CD1 4.44Å; V1004-L1035 HydrophobicContact CG1-CD1 3.74Å; V1004-L1035 HydrophobicContact CG1-CD2 3.76Å; V1004-L1035 HydrophobicContact CG1-CG 4.41Å |
| 1005 | R | 69 | Low | 67.1 | Low | 115 Ų | 115 | 73.4 Ų | 73.4 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 175.5 | -66.4 | 172.8 | -153.5 | -164.8 | 7.3 | 111 | D968 N1001 S1002 E1003 V1007 M1008 E1009 | D968-R1005 IonicContact OD1-NH2 2.68Å; D968-R1005 PolarHBondContact OD1-NH2 3.05Å; D968-R1005 IonicContact OD2-CZ 3.58Å; D968-R1005 IonicContact OD2-NH2 3.54Å; D968-R1005 PolarHBondContact OD2-NH2 3.47Å; N1001-R1005 PolarHBondContact ND2-NH2 2.85Å; N1001-R1005 WeakPolarHBondContact O-CG 3.4Å; N1001-R1005 PolarHBondContact O-N 2.9Å; N1001-R1005 VanDerWaalsContact O-N 3.12Å; S1002-R1005 PolarHBondContact O-N 2.68Å; E1003-R1005 VanDerWaalsContact C-N 3.31Å; E1003-R1005 PolarHBondContact O-N 3.22Å; R1005-V1007 VanDerWaalsContact C-N 3.35Å; R1005-V1007 PolarHBondContact O-N 3.29Å; R1005-M1008 WeakPolarHBondContact O-CB 3.49Å; R1005-M1008 PolarHBondContact O-N 2.93Å; R1005-M1008 VanDerWaalsContact O-N 3.12Å; R1005-E1009 WeakPolarHBondContact O-CG 3.38Å; R1005-E1009 PolarHBondContact O-N 2.85Å |
| 1006 | R | 67.9 | Low | 66.3 | Low | 127 Ų | 127 | 70.6 Ų | 70.6 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.7 | -44.1 | 177.6 | -170.8 | 176.6 | 77 | 156.1 | 3 | 112.7 | S1002 E1003 E1009 Q1010 | S1002-R1006 PolarHBondContact O-N 2.89Å; E1003-R1006 VanDerWaalsContact CD-NE 3.35Å; E1003-R1006 PolarHBondContact O-N 3.17Å; E1003-R1006 IonicContact OE1-CZ 2.73Å; E1003-R1006 IonicContact OE1-NE 3.21Å; E1003-R1006 PolarHBondContact OE1-NE 3.08Å; E1003-R1006 IonicContact OE1-NH2 2.64Å; E1003-R1006 PolarHBondContact OE1-NH2 3.07Å; E1003-R1006 IonicContact OE2-CZ 3.16Å; E1003-R1006 IonicContact OE2-NE 3.58Å; E1003-R1006 PolarHBondContact OE2-NE 2.81Å; E1003-R1006 VanDerWaalsContact OE2-NE 3.12Å; E1003-R1006 IonicContact OE2-NH2 3.74Å; E1003-R1006 PolarHBondContact OE2-NH2 2.94Å; R1006-E1009 PolarHBondContact O-N 3.32Å; R1006-Q1010 HydrophobicContact CG-CG 4.42Å; R1006-Q1010 WeakPolarHBondContact O-CB 3.43Å; R1006-Q1010 WeakPolarHBondContact O-CG 3.35Å; R1006-Q1010 PolarHBondContact O-N 3.03Å |
| 1007 | V | 66.2 | Low | 65.6 | Low | 23 Ų | 23 | 70.7 Ų | 70.7 | 14% | 0.139 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | E1003 R1005 G1011 L1017 L1020 | E1003-V1007 HydrophobicContact CG-CG2 4.47Å; E1003-V1007 WeakPolarHBondContact O-CB 3.04Å; E1003-V1007 WeakPolarHBondContact O-CG2 3.47Å; E1003-V1007 PolarHBondContact O-N 3.09Å; R1005-V1007 VanDerWaalsContact C-N 3.35Å; R1005-V1007 PolarHBondContact O-N 3.29Å; V1007-G1011 PolarHBondContact O-N 3Å; V1007-L1017 HydrophobicContact CG1-CD2 3.98Å; V1007-L1020 HydrophobicContact CB-CD2 4.5Å; V1007-L1020 HydrophobicContact CG2-CD2 4.34Å |
| 1008 | M | 61.8 | Low | 65.1 | Low | 88 Ų | 88 | 78.2 Ų | 78.2 | 43% | 0.433 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 172.9 | -79.1 | -163.9 | -97.3 | 0 | 0 | 113.1 | V1004 R1005 L1037 | V1004-M1008 HydrophobicContact CG1-CE 3.5Å; V1004-M1008 VanDerWaalsContact CG1-CE 3.5Å; V1004-M1008 WeakPolarHBondContact O-CG 3.23Å; V1004-M1008 PolarHBondContact O-N 2.86Å; V1004-M1008 VanDerWaalsContact O-N 3.1Å; R1005-M1008 WeakPolarHBondContact O-CB 3.49Å; R1005-M1008 PolarHBondContact O-N 2.93Å; R1005-M1008 VanDerWaalsContact O-N 3.12Å; M1008-L1037 HydrophobicContact CE-CD2 4.05Å; M1008-L1037 HydrophobicContact CG-CD2 4.46Å; M1008-L1037 HydrophobicContact SD-CD2 3.47Å; M1008-L1037 WeakPolarHBondContact SD-CD2 3.22Å; M1008-L1037 HydrophobicContact SD-CG 4.44Å |
| 1009 | E | 65 | Low | 64.8 | Low | 158 Ų | 158 | 81.7 Ų | 81.7 | 74% | 0.738 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -76.1 | -37.4 | -179.1 | -71.7 | 171 | -174 | 0 | 0 | 113.2 | R1005 R1006 | R1005-E1009 WeakPolarHBondContact O-CG 3.38Å; R1005-E1009 PolarHBondContact O-N 2.85Å; R1006-E1009 PolarHBondContact O-N 3.32Å |
| 1010 | Q | 59.7 | Low | 64.4 | Low | 129 Ų | 129 | 80.4 Ų | 80.4 | 60% | 0.603 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -100.4 | -14.3 | -168.7 | -61.8 | -176.4 | -2.3 | 0 | 0 | 115 | R1006 T1012 | R1006-Q1010 HydrophobicContact CG-CG 4.42Å; R1006-Q1010 WeakPolarHBondContact O-CB 3.43Å; R1006-Q1010 WeakPolarHBondContact O-CG 3.35Å; R1006-Q1010 PolarHBondContact O-N 3.03Å; Q1010-T1012 HydrophobicContact CB-CG2 4.27Å |
| 1011 | G | 53.5 | Low | 64.2 | Low | 68 Ų | 68 | 87.4 Ų | 87.4 | 70% | 0.701 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 70.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1007 | V1007-G1011 PolarHBondContact O-N 3Š|
| 1012 | T | 53.7 | Low | 64.1 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | trans | -110.7 | 170.3 | -163.6 | 50.6 | 0 | 0 | 0 | 0 | 116.2 | Q1010 | Q1010-T1012 HydrophobicContact CB-CG2 4.27Š| ||
| 1013 | H | 54.3 | Low | 64.2 | Low | 169 Ų | 169 | 89.5 Ų | 89.5 | 78% | 0.782 | 45% | 0.454 | S | S | * | . | trans | -66 | 156.6 | -173 | -96.7 | -119.7 | 0 | 0 | 0 | 115.1 | A1015 G1016 | H1013-A1015 PolarHBondContact O-N 3.09Å; H1013-G1016 PolarHBondContact O-N 3.35Å; H1013-G1016 VanDerWaalsContact O-N 3.1Å | ||
| 1014 | L | 55.1 | Low | 64.1 | Low | 113 Ų | 113 | 89.9 Ų | 89.9 | 59% | 0.592 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -48.5 | -29.4 | 179.2 | -163.9 | 76 | 0 | 0 | 0 | 115.1 | L1048 | L1014-L1048 HydrophobicContact CD1-CD2 3.61Å |
| 1015 | A | 57.3 | Low | 64.1 | Low | 76 Ų | 76 | 95.4 Ų | 95.4 | 63% | 0.628 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1013 L1017 K1018 E1019 | H1013-A1015 PolarHBondContact O-N 3.09Å; A1015-L1017 VanDerWaalsContact C-N 3.32Å; A1015-L1017 PolarHBondContact O-N 2.87Å; A1015-K1018 WeakPolarHBondContact O-CB 3.36Å; A1015-K1018 PolarHBondContact O-N 3.4Å; A1015-K1018 VanDerWaalsContact O-N 3.08Å; A1015-E1019 PolarHBondContact O-N 3Å |
| 1016 | G | 62.8 | Low | 64.2 | Low | 29 Ų | 29 | 96.7 Ų | 96.7 | 30% | 0.299 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1013 K1018 E1019 L1020 | H1013-G1016 PolarHBondContact O-N 3.35Å; H1013-G1016 VanDerWaalsContact O-N 3.1Å; G1016-K1018 VanDerWaalsContact C-N 3.26Å; G1016-K1018 PolarHBondContact O-N 3.36Å; G1016-E1019 PolarHBondContact O-N 3.3Å; G1016-L1020 VanDerWaalsContact O-CB 3.26Å; G1016-L1020 WeakPolarHBondContact O-CB 3.47Å; G1016-L1020 PolarHBondContact O-N 3.42Å |
| 1017 | L | 63.6 | Low | 64.3 | Low | 53 Ų | 53 | 91.8 Ų | 91.8 | 28% | 0.277 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -30.7 | 174.3 | -72.7 | 170.4 | 0 | 0 | 0 | 113 | V1007 A1015 W1021 L1048 | V1007-L1017 HydrophobicContact CG1-CD2 3.98Å; A1015-L1017 VanDerWaalsContact C-N 3.32Å; A1015-L1017 PolarHBondContact O-N 2.87Å; L1017-W1021 WeakPolarHBondContact O-CB 3.38Å; L1017-W1021 PolarHBondContact O-N 2.72Å; L1017-L1048 HydrophobicContact CD1-CD1 4.25Å |
| 1018 | K | 64.1 | Low | 64.2 | Low | 161 Ų | 161 | 92.2 Ų | 92.2 | 70% | 0.7 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -75.3 | -41.1 | 179.4 | -166 | -179.7 | -178.4 | -174.5 | 0 | 111.8 | A1015 G1016 T1022 | A1015-K1018 WeakPolarHBondContact O-CB 3.36Å; A1015-K1018 PolarHBondContact O-N 3.4Å; A1015-K1018 VanDerWaalsContact O-N 3.08Å; G1016-K1018 VanDerWaalsContact C-N 3.26Å; G1016-K1018 PolarHBondContact O-N 3.36Å; K1018-T1022 PolarHBondContact O-N 2.79Å; K1018-T1022 VanDerWaalsContact O-N 3.1Å; K1018-T1022 PolarHBondContact O-OG1 3.46Å |
| 1019 | E | 69.4 | Low | 64.2 | Low | 138 Ų | 138 | 93.1 Ų | 93.1 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -46.9 | 173.2 | -171.7 | 176.5 | 172.8 | 0 | 0 | 111.3 | A1015 G1016 W1021 T1022 R1023 | A1015-E1019 PolarHBondContact O-N 3Å; G1016-E1019 PolarHBondContact O-N 3.3Å; E1019-W1021 PolarHBondContact O-N 2.8Å; E1019-T1022 WeakPolarHBondContact O-CB 3.44Å; E1019-T1022 PolarHBondContact O-N 3.01Å; E1019-T1022 VanDerWaalsContact O-N 3.11Å; E1019-R1023 PolarHBondContact O-N 2.88Å |
| 1020 | L | 70.2 | Confident | 63.9 | Low | 17 Ų | 17 | 86.4 Ų | 86.4 | 9% | 0.089 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 175.4 | -170.4 | 64.5 | 0 | 0 | 0 | 112.3 | E1003 V1004 V1007 G1016 T1022 R1023 I1024 | E1003-L1020 HydrophobicContact CB-CD1 3.92Å; E1003-L1020 HydrophobicContact CG-CD1 3.68Å; V1004-L1020 HydrophobicContact CG2-CD1 4.06Å; V1004-L1020 HydrophobicContact CG2-CD2 3.96Å; V1004-L1020 HydrophobicContact CG2-CG 4.26Å; V1007-L1020 HydrophobicContact CB-CD2 4.5Å; V1007-L1020 HydrophobicContact CG2-CD2 4.34Å; G1016-L1020 VanDerWaalsContact O-CB 3.26Å; G1016-L1020 WeakPolarHBondContact O-CB 3.47Å; G1016-L1020 PolarHBondContact O-N 3.42Å; L1020-T1022 VanDerWaalsContact C-N 3.3Å; L1020-T1022 PolarHBondContact O-N 2.82Å; L1020-R1023 PolarHBondContact O-N 3.26Å; L1020-I1024 HydrophobicContact CG-CD1 4.15Å; L1020-I1024 VanDerWaalsContact O-CG1 3.3Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.42Å; L1020-I1024 PolarHBondContact O-N 2.88Å |
| 1021 | W | 69.2 | Low | 63.6 | Low | 154 Ų | 154 | 81.7 Ų | 81.7 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 175.9 | -174.8 | -94.7 | 0 | 0 | 0 | 112.3 | L1017 E1019 I1024 Q1025 | L1017-W1021 WeakPolarHBondContact O-CB 3.38Å; L1017-W1021 PolarHBondContact O-N 2.72Å; E1019-W1021 PolarHBondContact O-N 2.8Å; W1021-I1024 PolarHBondContact O-N 3.32Å; W1021-Q1025 VanDerWaalsContact NE1-CD 3.27Å; W1021-Q1025 WeakPolarHBondContact O-CG 3.41Å; W1021-Q1025 PolarHBondContact O-N 2.93Å |
| 1022 | T | 72.3 | Confident | 63.4 | Low | 75 Ų | 75 | 82.8 Ų | 82.8 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 179.5 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | K1018 E1019 L1020 Q1025 | K1018-T1022 PolarHBondContact O-N 2.79Å; K1018-T1022 VanDerWaalsContact O-N 3.1Å; K1018-T1022 PolarHBondContact O-OG1 3.46Å; E1019-T1022 WeakPolarHBondContact O-CB 3.44Å; E1019-T1022 PolarHBondContact O-N 3.01Å; E1019-T1022 VanDerWaalsContact O-N 3.11Å; L1020-T1022 VanDerWaalsContact C-N 3.3Å; L1020-T1022 PolarHBondContact O-N 2.82Å; T1022-Q1025 PolarHBondContact O-N 3.03Å |
| 1023 | R | 73.9 | Confident | 63.3 | Low | 58 Ų | 58 | 84.3 Ų | 84.3 | 22% | 0.219 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 173.1 | -67.2 | 180 | 66.8 | -165.5 | 2.2 | 112.4 | E996 S999 V1000 E1019 L1020 Q1025 L1026 | E996-R1023 IonicContact OE1-CZ 3.82Å; E996-R1023 IonicContact OE1-NE 2.77Å; E996-R1023 PolarHBondContact OE1-NE 2.97Å; E996-R1023 IonicContact OE1-NH2 3.88Å; E996-R1023 PolarHBondContact OE1-NH2 2.86Å; E996-R1023 IonicContact OE2-CZ 2.76Å; E996-R1023 IonicContact OE2-NH2 3.06Å; E996-R1023 PolarHBondContact OE2-NH2 2.83Å; S999-R1023 PolarHBondContact OG-NH2 2.98Å; V1000-R1023 HydrophobicContact CG2-CB 3.83Å; E1019-R1023 PolarHBondContact O-N 2.88Å; L1020-R1023 PolarHBondContact O-N 3.26Å; R1023-Q1025 VanDerWaalsContact C-N 3.26Å; R1023-Q1025 PolarHBondContact O-N 2.84Å; R1023-L1026 PolarHBondContact O-N 3.03Å; R1023-L1026 VanDerWaalsContact O-N 3.08Å |
| 1024 | I | 69.1 | Low | 63 | Low | 49 Ų | 49 | 80 Ų | 80 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 174.7 | -70.4 | 163.6 | 0 | 0 | 0 | 111.5 | V1000 V1004 L1020 W1021 L1026 L1027 | V1000-I1024 HydrophobicContact CG1-CD1 4.37Å; V1000-I1024 HydrophobicContact CG1-CG1 3.55Å; V1004-I1024 HydrophobicContact CG2-CD1 4.44Å; L1020-I1024 HydrophobicContact CG-CD1 4.15Å; L1020-I1024 VanDerWaalsContact O-CG1 3.3Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.42Å; L1020-I1024 PolarHBondContact O-N 2.88Å; W1021-I1024 PolarHBondContact O-N 3.32Å; I1024-L1026 VanDerWaalsContact C-N 3.25Å; I1024-L1026 PolarHBondContact O-N 3.01Å; I1024-L1027 PolarHBondContact O-N 3.2Å |
| 1025 | Q | 68.9 | Low | 62.5 | Low | 132 Ų | 132 | 77.1 Ų | 77.1 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -12.9 | 178 | -70.8 | -174 | -64.7 | 0 | 0 | 114.7 | W1021 T1022 R1023 | W1021-Q1025 VanDerWaalsContact NE1-CD 3.27Å; W1021-Q1025 WeakPolarHBondContact O-CG 3.41Å; W1021-Q1025 PolarHBondContact O-N 2.93Å; T1022-Q1025 PolarHBondContact O-N 3.03Å; R1023-Q1025 VanDerWaalsContact C-N 3.26Å; R1023-Q1025 PolarHBondContact O-N 2.84Å |
| 1026 | L | 70.3 | Confident | 61.8 | Low | 141 Ų | 141 | 82.9 Ų | 82.9 | 74% | 0.738 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.6 | 175.5 | -65.9 | 171.5 | 0 | 0 | 0 | 113.1 | R1023 I1024 | R1023-L1026 PolarHBondContact O-N 3.03Å; R1023-L1026 VanDerWaalsContact O-N 3.08Å; I1024-L1026 VanDerWaalsContact C-N 3.25Å; I1024-L1026 PolarHBondContact O-N 3.01Å |
| 1027 | L | 69.7 | Low | 61.1 | Low | 24 Ų | 24 | 82.6 Ų | 82.6 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -82.9 | 146.1 | 174 | -66.9 | 175.1 | 0 | 0 | 0 | 111.2 | E996 A997 V1000 I1024 F1031 | E996-L1027 HydrophobicContact CB-CD2 4.14Å; E996-L1027 HydrophobicContact CG-CD2 3.93Å; A997-L1027 HydrophobicContact CB-CD1 4.2Å; A997-L1027 HydrophobicContact CB-CD2 4.05Å; V1000-L1027 HydrophobicContact CB-CD1 4.17Å; V1000-L1027 HydrophobicContact CG1-CD1 4.18Å; V1000-L1027 HydrophobicContact CG2-CD1 4.27Å; I1024-L1027 PolarHBondContact O-N 3.2Å; L1027-F1031 HydrophobicContact CB-CB 4.29Å; L1027-F1031 HydrophobicContact CB-CD2 3.97Å; L1027-F1031 HydrophobicContact CB-CG 4.28Å; L1027-F1031 HydrophobicContact CD1-CB 4.47Å; L1027-F1031 HydrophobicContact CD1-CG 4.46Å |
| 1028 | P | 65.4 | Low | 60.3 | Low | 33 Ų | 33 | 84.7 Ų | 84.7 | 21% | 0.214 | 42% | 0.421 | C | S | . | . | trans | -53.1 | 153.8 | 174.2 | -29.3 | 34.7 | 0 | 0 | 0 | 114.6 | I993 V1030 F1031 | I993-P1028 HydrophobicContact CD1-CG 3.99Å; I993-P1028 HydrophobicContact CG1-CG 4.43Å; I993-P1028 HydrophobicContact CG2-CG 3.92Å; P1028-V1030 PolarHBondContact O-N 3.49Å; P1028-F1031 HydrophobicContact CB-CD2 4.13Å; P1028-F1031 HydrophobicContact CB-CE2 4.19Å; P1028-F1031 HydrophobicContact CG-CD2 4.34Å; P1028-F1031 HydrophobicContact CG-CE2 4.05Å; P1028-F1031 WeakPolarHBondContact O-CD2 3.27Å; P1028-F1031 PolarHBondContact O-N 3.42Å; P1028-F1031 VanDerWaalsContact O-N 3.1Å | ||
| 1029 | P | 60.4 | Low | 59.7 | Low | 107 Ų | 107 | 83.9 Ų | 83.9 | 70% | 0.695 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -55.5 | -24.7 | -178.2 | -27.4 | 35.6 | 0 | 0 | 0 | 115.3 | F1031 L1032 | P1029-F1031 PolarHBondContact O-N 2.88Å; P1029-L1032 WeakPolarHBondContact O-CB 3.44Å; P1029-L1032 PolarHBondContact O-N 3.24Å |
| 1030 | V | 58.7 | Low | 58.7 | Low | 17 Ų | 17 | 81.1 Ų | 81.1 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -54.5 | -29 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 113 | M965 F970 P1028 L1032 | M965-V1030 HydrophobicContact CE-CG1 3.93Å; M965-V1030 HydrophobicContact CG-CG1 3.78Å; M965-V1030 PolarHBondContact N-O 2.91Å; M965-V1030 HydrophobicContact SD-CG1 4.33Å; F970-V1030 HydrophobicContact CD2-CG1 4.49Å; P1028-V1030 PolarHBondContact O-N 3.49Å; V1030-L1032 VanDerWaalsContact C-N 3.33Å; V1030-L1032 PolarHBondContact O-N 3.29Å |
| 1031 | F | 53.3 | Low | 57.7 | Low | 30 Ų | 30 | 82.8 Ų | 82.8 | 13% | 0.132 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -82.5 | -0.7 | -177.3 | -66.4 | -82.1 | 0 | 0 | 0 | 114.8 | A967 F970 I993 A997 L1027 P1028 P1029 F1033 | A967-F1031 HydrophobicContact CB-CD1 4.28Å; A967-F1031 HydrophobicContact CB-CE1 4.39Å; F970-F1031 HydrophobicContact CB-CE1 3.68Å; F970-F1031 HydrophobicContact CB-CZ 3.94Å; F970-F1031 HydrophobicContact CD1-CE1 4Å; F970-F1031 AromaticContact CD1-CZ 3.48Å; F970-F1031 HydrophobicContact CD1-CZ 3.48Å; F970-F1031 VanDerWaalsContact CD1-CZ 3.48Å; F970-F1031 HydrophobicContact CD2-CE1 4.22Å; F970-F1031 HydrophobicContact CD2-CE2 4.25Å; F970-F1031 AromaticContact CD2-CZ 3.66Å; F970-F1031 HydrophobicContact CD2-CZ 3.66Å; F970-F1031 AromaticContact CE1-CZ 3.81Å; F970-F1031 HydrophobicContact CE1-CZ 3.81Å; F970-F1031 HydrophobicContact CE2-CE2 4.26Å; F970-F1031 AromaticContact CE2-CZ 3.97Å; F970-F1031 HydrophobicContact CE2-CZ 3.97Å; F970-F1031 AromaticContact CG-CE1 3.71Å; F970-F1031 HydrophobicContact CG-CE1 3.71Å; F970-F1031 HydrophobicContact CG-CE2 4.4Å; F970-F1031 AromaticContact CG-CZ 3.4Å; F970-F1031 HydrophobicContact CG-CZ 3.4Å; F970-F1031 HydrophobicContact CZ-CE2 4.42Å; F970-F1031 HydrophobicContact CZ-CZ 4.04Å; I993-F1031 HydrophobicContact CG2-CE2 3.46Å; I993-F1031 VanDerWaalsContact CG2-CE2 3.46Å; I993-F1031 HydrophobicContact CG2-CZ 3.65Å; A997-F1031 HydrophobicContact CB-CD1 3.69Å; A997-F1031 HydrophobicContact CB-CE1 3.23Å; A997-F1031 HydrophobicContact CB-CG 4.5Å; A997-F1031 HydrophobicContact CB-CZ 3.73Å; L1027-F1031 HydrophobicContact CB-CB 4.29Å; L1027-F1031 HydrophobicContact CB-CD2 3.97Å; L1027-F1031 HydrophobicContact CB-CG 4.28Å; L1027-F1031 HydrophobicContact CD1-CB 4.47Å; L1027-F1031 HydrophobicContact CD1-CG 4.46Å; P1028-F1031 HydrophobicContact CB-CD2 4.13Å; P1028-F1031 HydrophobicContact CB-CE2 4.19Å; P1028-F1031 HydrophobicContact CG-CD2 4.34Å; P1028-F1031 HydrophobicContact CG-CE2 4.05Å; P1028-F1031 WeakPolarHBondContact O-CD2 3.27Å; P1028-F1031 PolarHBondContact O-N 3.42Å; P1028-F1031 VanDerWaalsContact O-N 3.1Å; P1029-F1031 PolarHBondContact O-N 2.88Å; F1031-F1033 PolarHBondContact O-N 3.46Å |
| 1032 | L | 50.6 | Low | 56.9 | Low | 91 Ų | 91 | 78.6 Ų | 78.6 | 48% | 0.476 | 41% | 0.412 | S | S | . | . | trans | -76.7 | 83.3 | -176.1 | -71.6 | 172 | 0 | 0 | 0 | 113.2 | K964 P1029 V1030 | K964-L1032 WeakPolarHBondContact CD-O 3.38Å; K964-L1032 WeakPolarHBondContact CE-O 3.22Å; K964-L1032 PolarHBondContact NZ-O 3.43Å; P1029-L1032 WeakPolarHBondContact O-CB 3.44Å; P1029-L1032 PolarHBondContact O-N 3.24Å; V1030-L1032 VanDerWaalsContact C-N 3.33Å; V1030-L1032 PolarHBondContact O-N 3.29Å | ||
| 1033 | F | 51.8 | Low | 56 | Low | 103 Ų | 103 | 80.7 Ų | 80.7 | 45% | 0.452 | 42% | 0.415 | S | S | . | . | trans | 72.2 | 147.4 | 173.6 | -84 | -113.8 | 0 | 0 | 0 | 114.8 | F1031 L1035 L1037 | F1031-F1033 PolarHBondContact O-N 3.46Å; F1033-L1035 HydrophobicContact CD1-CB 4.45Å; F1033-L1035 HydrophobicContact CE1-CB 4.22Å; F1033-L1035 HydrophobicContact CZ-CD1 4.47Å; F1033-L1037 HydrophobicContact CE1-CD1 3.82Å; F1033-L1037 HydrophobicContact CZ-CD1 3.78Å | ||
| 1034 | P | 46.7 | Very low | 54.9 | Low | 78 Ų | 78 | 86.5 Ų | 86.5 | 51% | 0.506 | 44% | 0.436 | S | S | . | . | cis | -106.4 | 126.6 | 29 | 36.7 | -31.9 | 0 | 0 | 0 | 116.6 | T966 | T966-P1034 HydrophobicContact CG2-CG 4.28Š| ||
| 1035 | L | 44.6 | Very low | 54.1 | Low | 53 Ų | 53 | 87.3 Ų | 87.3 | 28% | 0.277 | 44% | 0.441 | S | S | . | . | trans | -90.5 | 133.7 | 148.1 | -71 | 161.1 | 0 | 0 | 0 | 108.1 | V1004 F1033 L1037 | V1004-L1035 HydrophobicContact CG1-CD1 3.74Å; V1004-L1035 HydrophobicContact CG1-CD2 3.76Å; V1004-L1035 HydrophobicContact CG1-CG 4.41Å; F1033-L1035 HydrophobicContact CD1-CB 4.45Å; F1033-L1035 HydrophobicContact CE1-CB 4.22Å; F1033-L1035 HydrophobicContact CZ-CD1 4.47Å; L1035-L1037 HydrophobicContact CB-CD1 3.93Å; L1035-L1037 HydrophobicContact CB-CG 3.99Å; L1035-L1037 HydrophobicContact CD1-CD1 4.13Å; L1035-L1037 PolarHBondContact O-N 3.05Å | ||
| 1036 | H | 43.7 | Very low | 53.3 | Low | 197 Ų | 197 | 86.8 Ų | 86.8 | 91% | 0.912 | 44% | 0.438 | S | S | * | . | trans | -75.4 | 62.9 | 170.3 | -82.4 | -69.6 | 0 | 0 | 0 | 111 | ||||
| 1037 | L | 47.2 | Very low | 52.4 | Low | 23 Ų | 23 | 84.8 Ų | 84.8 | 12% | 0.12 | 43% | 0.428 | C | S | . | . | trans | -72.6 | 126.5 | 175.1 | -80.6 | 158.1 | 0 | 0 | 0 | 110.4 | M1008 F1033 L1035 V1041 L1042 L1045 | M1008-L1037 HydrophobicContact CE-CD2 4.05Å; M1008-L1037 HydrophobicContact CG-CD2 4.46Å; M1008-L1037 HydrophobicContact SD-CD2 3.47Å; M1008-L1037 WeakPolarHBondContact SD-CD2 3.22Å; M1008-L1037 HydrophobicContact SD-CG 4.44Å; F1033-L1037 HydrophobicContact CE1-CD1 3.82Å; F1033-L1037 HydrophobicContact CZ-CD1 3.78Å; L1035-L1037 HydrophobicContact CB-CD1 3.93Å; L1035-L1037 HydrophobicContact CB-CG 3.99Å; L1035-L1037 HydrophobicContact CD1-CD1 4.13Å; L1035-L1037 PolarHBondContact O-N 3.05Å; L1037-V1041 HydrophobicContact CD2-CB 3.99Å; L1037-V1041 HydrophobicContact CD2-CG1 3.59Å; L1037-L1042 HydrophobicContact CB-CD1 4.15Å; L1037-L1042 HydrophobicContact CB-CG 4.05Å; L1037-L1045 HydrophobicContact CD1-CD1 4.48Å | ||
| 1038 | D | 47.4 | Very low | 51.4 | Low | 98 Ų | 98 | 86.8 Ų | 86.8 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | trans | -50.6 | 137.4 | 166.9 | -179 | -28.2 | 0 | 0 | 0 | 109.8 | T1040 V1041 L1042 | D1038-T1040 PolarHBondContact O-N 3Å; D1038-T1040 WeakPolarHBondContact OD1-CB 3.25Å; D1038-T1040 PolarHBondContact OD1-N 3.44Å; D1038-T1040 PolarHBondContact OD1-OG1 3.43Å; D1038-V1041 HydrophobicContact CB-CG2 4.23Å; D1038-V1041 PolarHBondContact O-N 3.47Å; D1038-L1042 PolarHBondContact O-N 3.32Å | ||
| 1039 | Q | 50.2 | Low | 50.7 | Low | 143 Ų | 143 | 89.6 Ų | 89.6 | 67% | 0.668 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -51.9 | -27.6 | 175.3 | -73.9 | -166.7 | -1.9 | 0 | 0 | 113 | K1043 | Q1039-K1043 VanDerWaalsContact O-CB 3.23Å; Q1039-K1043 WeakPolarHBondContact O-CB 3.43Å; Q1039-K1043 VanDerWaalsContact O-CG 3.3Å; Q1039-K1043 WeakPolarHBondContact O-CG 3.45Å; Q1039-K1043 PolarHBondContact O-N 2.92Å |
| 1040 | T | 49 | Very low | 49.9 | Very low | 81 Ų | 81 | 85.6 Ų | 85.6 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 176.3 | -44.4 | 0 | 0 | 0 | 0 | 111.9 | D1038 R1044 | D1038-T1040 PolarHBondContact O-N 3Å; D1038-T1040 WeakPolarHBondContact OD1-CB 3.25Å; D1038-T1040 PolarHBondContact OD1-N 3.44Å; D1038-T1040 PolarHBondContact OD1-OG1 3.43Å; T1040-R1044 WeakPolarHBondContact O-CG 3.48Å; T1040-R1044 PolarHBondContact O-N 3.24Å; T1040-R1044 VanDerWaalsContact O-N 3.12Å |
| 1041 | V | 50.4 | Low | 49 | Very low | 52 Ų | 52 | 87.7 Ų | 87.7 | 32% | 0.315 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -80.5 | -40.1 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | L1037 D1038 K1043 R1044 L1045 | L1037-V1041 HydrophobicContact CD2-CB 3.99Å; L1037-V1041 HydrophobicContact CD2-CG1 3.59Å; D1038-V1041 HydrophobicContact CB-CG2 4.23Å; D1038-V1041 PolarHBondContact O-N 3.47Å; V1041-K1043 PolarHBondContact O-N 3.33Å; V1041-R1044 PolarHBondContact O-N 2.88Å; V1041-R1044 VanDerWaalsContact O-N 3.1Å; V1041-L1045 HydrophobicContact CG1-CD1 4.41Å; V1041-L1045 PolarHBondContact O-N 2.83Å |
| 1042 | L | 51.5 | Low | 48.4 | Very low | 65 Ų | 65 | 92.2 Ų | 92.2 | 34% | 0.34 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 169.5 | -99 | 162.8 | 0 | 0 | 0 | 111.1 | L1037 D1038 R1044 L1045 E1046 | L1037-L1042 HydrophobicContact CB-CD1 4.15Å; L1037-L1042 HydrophobicContact CB-CG 4.05Å; D1038-L1042 PolarHBondContact O-N 3.32Å; L1042-R1044 VanDerWaalsContact C-N 3.3Å; L1042-R1044 PolarHBondContact O-N 2.8Å; L1042-L1045 PolarHBondContact O-N 3.39Å; L1042-E1046 WeakPolarHBondContact O-CB 3.26Å; L1042-E1046 WeakPolarHBondContact O-CG 3.43Å; L1042-E1046 PolarHBondContact O-N 2.65Å |
| 1043 | K | 52.4 | Low | 47.9 | Very low | 120 Ų | 120 | 91 Ų | 91 | 52% | 0.522 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.9 | -34.8 | 173.6 | -82.9 | 171.5 | 176.7 | 163.3 | 0 | 113.5 | Q1039 V1041 L1047 | Q1039-K1043 VanDerWaalsContact O-CB 3.23Å; Q1039-K1043 WeakPolarHBondContact O-CB 3.43Å; Q1039-K1043 VanDerWaalsContact O-CG 3.3Å; Q1039-K1043 WeakPolarHBondContact O-CG 3.45Å; Q1039-K1043 PolarHBondContact O-N 2.92Å; V1041-K1043 PolarHBondContact O-N 3.33Å; K1043-L1047 WeakPolarHBondContact O-CB 3.22Å; K1043-L1047 WeakPolarHBondContact O-CD1 3.27Å; K1043-L1047 WeakPolarHBondContact O-CG 3.31Å; K1043-L1047 PolarHBondContact O-N 2.84Å |
| 1044 | R | 52.3 | Low | 47.2 | Very low | 180 Ų | 180 | 89.7 Ų | 89.7 | 68% | 0.679 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.5 | -40.5 | 175.3 | -81.9 | 178.5 | 173.4 | -171.8 | -1 | 112.3 | T1040 V1041 L1042 L1047 L1048 | T1040-R1044 WeakPolarHBondContact O-CG 3.48Å; T1040-R1044 PolarHBondContact O-N 3.24Å; T1040-R1044 VanDerWaalsContact O-N 3.12Å; V1041-R1044 PolarHBondContact O-N 2.88Å; V1041-R1044 VanDerWaalsContact O-N 3.1Å; L1042-R1044 VanDerWaalsContact C-N 3.3Å; L1042-R1044 PolarHBondContact O-N 2.8Å; R1044-L1047 PolarHBondContact O-N 3.2Å; R1044-L1048 WeakPolarHBondContact O-CB 3.32Å; R1044-L1048 PolarHBondContact O-N 3.21Å |
| 1045 | L | 51.7 | Low | 46.7 | Very low | 65 Ų | 65 | 92.8 Ų | 92.8 | 34% | 0.34 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 173.2 | -77.1 | 164.9 | 0 | 0 | 0 | 111.1 | L1037 V1041 L1042 L1047 L1048 T1049 | L1037-L1045 HydrophobicContact CD1-CD1 4.48Å; V1041-L1045 HydrophobicContact CG1-CD1 4.41Å; V1041-L1045 PolarHBondContact O-N 2.83Å; L1042-L1045 PolarHBondContact O-N 3.39Å; L1045-L1047 VanDerWaalsContact C-N 3.33Å; L1045-L1047 PolarHBondContact O-N 2.84Å; L1045-L1048 WeakPolarHBondContact O-CB 3.42Å; L1045-L1048 PolarHBondContact O-N 2.96Å; L1045-L1048 VanDerWaalsContact O-N 3.09Å; L1045-T1049 PolarHBondContact O-N 2.86Å; L1045-T1049 PolarHBondContact O-OG1 2.94Å; L1045-T1049 VanDerWaalsContact O-OG1 3.05Å |
| 1046 | E | 51.2 | Low | 46.9 | Very low | 121 Ų | 121 | 99.5 Ų | 99.5 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.2 | -40.8 | 173.1 | -71.6 | 177 | 155.8 | 0 | 0 | 112.3 | L1042 L1048 A1050 | L1042-E1046 WeakPolarHBondContact O-CB 3.26Å; L1042-E1046 WeakPolarHBondContact O-CG 3.43Å; L1042-E1046 PolarHBondContact O-N 2.65Å; E1046-L1048 VanDerWaalsContact C-N 3.34Å; E1046-A1050 WeakPolarHBondContact O-CB 3.18Å; E1046-A1050 PolarHBondContact O-N 2.55Å |
| 1047 | L | 51.6 | Low | 46.2 | Very low | 99 Ų | 99 | 96.2 Ų | 96.2 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 173.5 | -92.2 | 155.6 | 0 | 0 | 0 | 112.2 | K1043 R1044 L1045 S1051 | K1043-L1047 WeakPolarHBondContact O-CB 3.22Å; K1043-L1047 WeakPolarHBondContact O-CD1 3.27Å; K1043-L1047 WeakPolarHBondContact O-CG 3.31Å; K1043-L1047 PolarHBondContact O-N 2.84Å; R1044-L1047 PolarHBondContact O-N 3.2Å; L1045-L1047 VanDerWaalsContact C-N 3.33Å; L1045-L1047 PolarHBondContact O-N 2.84Å; L1047-S1051 WeakPolarHBondContact O-CB 3.33Å; L1047-S1051 PolarHBondContact O-N 3.48Å; L1047-S1051 PolarHBondContact O-OG 3.37Å |
| 1048 | L | 48.6 | Very low | 45.1 | Very low | 66 Ų | 66 | 96.3 Ų | 96.3 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -58.4 | 174.9 | -89.1 | 164.5 | 0 | 0 | 0 | 111.4 | L1014 L1017 R1044 L1045 E1046 A1050 S1051 L1052 | L1014-L1048 HydrophobicContact CD1-CD2 3.61Å; L1017-L1048 HydrophobicContact CD1-CD1 4.25Å; R1044-L1048 WeakPolarHBondContact O-CB 3.32Å; R1044-L1048 PolarHBondContact O-N 3.21Å; L1045-L1048 WeakPolarHBondContact O-CB 3.42Å; L1045-L1048 PolarHBondContact O-N 2.96Å; L1045-L1048 VanDerWaalsContact O-N 3.09Å; E1046-L1048 VanDerWaalsContact C-N 3.34Å; L1048-A1050 VanDerWaalsContact C-N 3.3Å; L1048-A1050 PolarHBondContact O-N 3.5Å; L1048-S1051 PolarHBondContact O-N 2.79Å; L1048-L1052 WeakPolarHBondContact O-CB 3.48Å; L1048-L1052 PolarHBondContact O-N 2.81Å |
| 1049 | T | 51.1 | Low | 44.1 | Very low | 92 Ų | 92 | 96.6 Ų | 96.6 | 56% | 0.564 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -52.9 | -49.8 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 110.5 | L1045 S1051 T1053 | L1045-T1049 PolarHBondContact O-N 2.86Å; L1045-T1049 PolarHBondContact O-OG1 2.94Å; L1045-T1049 VanDerWaalsContact O-OG1 3.05Å; T1049-S1051 PolarHBondContact O-N 3.44Å; T1049-T1053 PolarHBondContact O-N 3.25Å; T1049-T1053 PolarHBondContact O-OG1 3.29Å |
| 1050 | A | 43 | Very low | 43.7 | Very low | 23 Ų | 23 | 96.4 Ų | 96.4 | 19% | 0.19 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -83.5 | -9.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1046 L1048 N1054 K1059 | E1046-A1050 WeakPolarHBondContact O-CB 3.18Å; E1046-A1050 PolarHBondContact O-N 2.55Å; L1048-A1050 VanDerWaalsContact C-N 3.3Å; L1048-A1050 PolarHBondContact O-N 3.5Å; A1050-N1054 VanDerWaalsContact O-CB 3.24Å; A1050-N1054 WeakPolarHBondContact O-CB 3.36Å; A1050-N1054 PolarHBondContact O-N 3.1Å; A1050-K1059 VanDerWaalsContact C-CE 3.46Å; A1050-K1059 HydrophobicContact CB-CD 4.01Å; A1050-K1059 HydrophobicContact CB-CG 3.87Å; A1050-K1059 WeakPolarHBondContact O-CE 3.37Å |
| 1051 | S | 40.9 | Very low | 42.8 | Very low | 61 Ų | 61 | 101.9 Ų | 101.9 | 43% | 0.427 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -91.3 | -33.2 | 167.2 | -54.9 | 0 | 0 | 0 | 0 | 112 | L1047 L1048 T1049 T1053 N1054 L1055 | L1047-S1051 WeakPolarHBondContact O-CB 3.33Å; L1047-S1051 PolarHBondContact O-N 3.48Å; L1047-S1051 PolarHBondContact O-OG 3.37Å; L1048-S1051 PolarHBondContact O-N 2.79Å; T1049-S1051 PolarHBondContact O-N 3.44Å; S1051-T1053 CarbonylContact O-C 3.24Å; S1051-T1053 PolarHBondContact O-N 3.41Å; S1051-N1054 CarbonylContact O-C 3.24Å; S1051-N1054 PolarHBondContact O-N 3.03Å; S1051-L1055 PolarHBondContact O-N 3.33Å |
| 1052 | L | 39.6 | Very low | 41.9 | Very low | 125 Ų | 125 | 104.9 Ų | 104.9 | 65% | 0.654 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -58.8 | -28.8 | 163.1 | -80 | 166.8 | 0 | 0 | 0 | 111.5 | L1048 | L1048-L1052 WeakPolarHBondContact O-CB 3.48Å; L1048-L1052 PolarHBondContact O-N 2.81Å |
| 1053 | T | 41 | Very low | 40.9 | Very low | 66 Ų | 66 | 106.8 Ų | 106.8 | 41% | 0.405 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -78.5 | -62.3 | 161.9 | -26.7 | 0 | 0 | 0 | 0 | 111.3 | T1049 S1051 L1055 F1056 V1057 G1058 | T1049-T1053 PolarHBondContact O-N 3.25Å; T1049-T1053 PolarHBondContact O-OG1 3.29Å; S1051-T1053 CarbonylContact O-C 3.24Å; S1051-T1053 PolarHBondContact O-N 3.41Å; T1053-L1055 VanDerWaalsContact C-N 3.31Å; T1053-L1055 PolarHBondContact O-N 3.02Å; T1053-F1056 CarbonylContact O-C 3.35Å; T1053-F1056 VanDerWaalsContact O-C 3.24Å; T1053-F1056 PolarHBondContact O-N 3.3Å; T1053-V1057 CarbonylContact O-C 3.58Å; T1053-V1057 WeakPolarHBondContact O-CA 3.22Å; T1053-V1057 PolarHBondContact O-N 2.81Å; T1053-G1058 CarbonylContact C-O 3.07Å; T1053-G1058 WeakPolarHBondContact CB-O 3.43Å; T1053-G1058 WeakPolarHBondContact CG2-O 3.45Å; T1053-G1058 PolarHBondContact O-N 3.06Å |
| 1054 | N | 37.8 | Very low | 39.7 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 41% | 0.406 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | 41.8 | -166.6 | -155.9 | 84.9 | 0 | 0 | 0 | 117.1 | A1050 S1051 G1058 K1059 | A1050-N1054 VanDerWaalsContact O-CB 3.24Å; A1050-N1054 WeakPolarHBondContact O-CB 3.36Å; A1050-N1054 PolarHBondContact O-N 3.1Å; S1051-N1054 CarbonylContact O-C 3.24Å; S1051-N1054 PolarHBondContact O-N 3.03Å; N1054-G1058 VanDerWaalsContact CA-O 3.27Å; N1054-G1058 WeakPolarHBondContact CA-O 3.32Å; N1054-G1058 VanDerWaalsContact CB-O 3.3Å; N1054-G1058 WeakPolarHBondContact CB-O 3.3Å; N1054-G1058 PolarHBondContact N-O 2.92Å; N1054-K1059 HydrophobicContact CB-CB 3.79Å; N1054-K1059 HydrophobicContact CB-CD 4.05Å; N1054-K1059 HydrophobicContact CB-CG 3.77Å; N1054-K1059 WeakPolarHBondContact OD1-CB 3.42Å; N1054-K1059 PolarHBondContact OD1-N 2.86Å |
| 1055 | L | 36.3 | Very low | 38.8 | Very low | 143 Ų | 143 | 104.1 Ų | 104.1 | 75% | 0.749 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.6 | 15.7 | 137 | -141.3 | 70.2 | 0 | 0 | 0 | 111.7 | S1051 T1053 | S1051-L1055 PolarHBondContact O-N 3.33Å; T1053-L1055 VanDerWaalsContact C-N 3.31Å; T1053-L1055 PolarHBondContact O-N 3.02Å |
| 1056 | F | 48 | Very low | 37.5 | Very low | 193 Ų | 193 | 108.1 Ų | 108.1 | 85% | 0.846 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.1 | 38 | 179.9 | -122.1 | -98.5 | 0 | 0 | 0 | 113.4 | T1053 | T1053-F1056 CarbonylContact O-C 3.35Å; T1053-F1056 VanDerWaalsContact O-C 3.24Å; T1053-F1056 PolarHBondContact O-N 3.3Å |
| 1057 | V | 28.9 | Very low | 36.2 | Very low | 129 Ų | 129 | 108.6 Ų | 108.6 | 78% | 0.782 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -152.4 | 81.1 | -2.4 | -163.7 | 0 | 0 | 0 | 0 | 111.9 | T1053 | T1053-V1057 CarbonylContact O-C 3.58Å; T1053-V1057 WeakPolarHBondContact O-CA 3.22Å; T1053-V1057 PolarHBondContact O-N 2.81Å |
| 1058 | G | 24.5 | Very low | 35.1 | Very low | 25 Ų | 25 | 110.4 Ų | 110.4 | 26% | 0.258 | 62% | 0.619 | S | S | . | * | trans | -172.3 | 157.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1053 N1054 | T1053-G1058 CarbonylContact C-O 3.07Å; T1053-G1058 WeakPolarHBondContact CB-O 3.43Å; T1053-G1058 WeakPolarHBondContact CG2-O 3.45Å; T1053-G1058 PolarHBondContact O-N 3.06Å; N1054-G1058 VanDerWaalsContact CA-O 3.27Å; N1054-G1058 WeakPolarHBondContact CA-O 3.32Å; N1054-G1058 VanDerWaalsContact CB-O 3.3Å; N1054-G1058 WeakPolarHBondContact CB-O 3.3Å; N1054-G1058 PolarHBondContact N-O 2.92Å | ||
| 1059 | K | 26.5 | Very low | 34.1 | Very low | 104 Ų | 104 | 119 Ų | 119 | 45% | 0.452 | 65% | 0.647 | S | S | . | * | trans | -134.7 | 121.2 | 162.4 | -120.1 | 179.5 | -134.5 | -153.1 | 0 | 108.9 | A1050 N1054 | A1050-K1059 VanDerWaalsContact C-CE 3.46Å; A1050-K1059 HydrophobicContact CB-CD 4.01Å; A1050-K1059 HydrophobicContact CB-CG 3.87Å; A1050-K1059 WeakPolarHBondContact O-CE 3.37Å; N1054-K1059 HydrophobicContact CB-CB 3.79Å; N1054-K1059 HydrophobicContact CB-CD 4.05Å; N1054-K1059 HydrophobicContact CB-CG 3.77Å; N1054-K1059 WeakPolarHBondContact OD1-CB 3.42Å; N1054-K1059 PolarHBondContact OD1-N 2.86Å | ||
| 1060 | T | 41.1 | Very low | 32.8 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 85% | 0.853 | 65% | 0.653 | S | S | * | * | trans | -47.5 | 140.8 | 172.1 | 42.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1061 | K | 30.1 | Very low | 32 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | trans | -155.8 | 134.2 | 159.3 | -117 | -177.9 | -177.9 | -176.1 | 0 | 111.1 | ||||
| 1062 | S | 32.2 | Very low | 31.5 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | 55 | 135.1 | 170.7 | 44.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1063 | S | 30.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | cis | -160.5 | 138.8 | -9.6 | 32.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1064 | C | 25.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | 49.3 | 129 | 89.6 | -99 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1065 | T | 34.3 | Very low | 29.8 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | cis | -140.5 | 157.2 | 23.1 | 19.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1066 | L | 25.1 | Very low | 29.3 | Very low | 150 Ų | 150 | 136 Ų | 136 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -34.7 | 160.4 | 160 | -77.3 | 147.8 | 0 | 0 | 0 | 118.6 | ||||
| 1067 | L | 23.9 | Very low | 28.2 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | trans | 79.9 | 114.6 | 160.5 | -94.1 | 71.8 | 0 | 0 | 0 | 120.1 | ||||
| 1068 | Q | 28.4 | Very low | 28 | Very low | 137 Ų | 137 | 133 Ų | 133 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | trans | 61.8 | 114.7 | 140 | -62.3 | 172 | -34.7 | 0 | 0 | 118.1 | F1070 | Q1068-F1070 HydrophobicContact CG-CD2 3.89Å; Q1068-F1070 HydrophobicContact CG-CE2 4.39Å | ||
| 1069 | R | 26.3 | Very low | 28 | Very low | 247 Ų | 247 | 138.7 Ų | 138.7 | 93% | 0.932 | 72% | 0.721 | S | S | * | * | -119.3 | 131.1 | 50.1 | -73.1 | 164.4 | 168 | 148.7 | -4.1 | 111.7 | |||||
| 1070 | F | 25.2 | Very low | 28 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | cis | 67.2 | 109.3 | 44.5 | -109 | -104 | 0 | 0 | 0 | 114.2 | Q1068 | Q1068-F1070 HydrophobicContact CG-CD2 3.89Å; Q1068-F1070 HydrophobicContact CG-CE2 4.39Å | ||
| 1071 | L | 26.2 | Very low | 27.3 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | 80.2 | 123.7 | 165.2 | -59.3 | 172.2 | 0 | 0 | 0 | 120.1 | ||||
| 1072 | H | 28.9 | Very low | 27.1 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | trans | 63.2 | 140.1 | 147.8 | -74 | -106.2 | 0 | 0 | 0 | 120.4 | ||||
| 1073 | E | 28.8 | Very low | 26.8 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 72% | 0.715 | 70% | 0.703 | S | S | * | * | cis | -159.6 | -173.4 | -19 | -139.7 | 172 | -170 | 0 | 0 | 111.5 | ||||
| 1074 | S | 28.8 | Very low | 26.8 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | trans | -33.9 | 160.3 | 169.6 | 46.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1075 | D | 25.7 | Very low | 26.7 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | -168.4 | 160.2 | 50.2 | -144.2 | -3.4 | 0 | 0 | 0 | 115.9 | |||||
| 1076 | N | 26.2 | Very low | 26.8 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | 64.1 | 150.4 | 152.5 | -75.5 | -41.8 | 0 | 0 | 0 | 119.6 | ||||
| 1077 | V | 24.3 | Very low | 26.9 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 63% | 0.63 | 70% | 0.702 | S | S | * | * | cis | -156.3 | 155.6 | -0.4 | 89.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1078 | Q | 24.3 | Very low | 27.3 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | trans | 62.1 | 158.9 | 159.2 | -73.5 | -174.3 | -62.5 | 0 | 0 | 119.6 | ||||
| 1079 | E | 25.3 | Very low | 27.2 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | cis | -178.6 | 162.8 | -34.7 | -117.2 | -179.8 | 157.9 | 0 | 0 | 106.6 | ||||
| 1080 | V | 26.2 | Very low | 27.2 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | trans | 61.9 | 130.1 | 142.8 | 162.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1081 | E | 26.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 133 Ų | 133 | 59% | 0.593 | 70% | 0.697 | S | S | * | * | cis | 178.3 | 179.7 | -6.4 | -133.8 | -175.9 | 148.8 | 0 | 0 | 109.9 | ||||
| 1082 | K | 26.6 | Very low | 27.3 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | trans | 67.4 | 159.3 | 145.3 | -76.2 | 171.5 | 168.3 | 118.6 | 0 | 119.5 | ||||
| 1083 | D | 26 | Very low | 27.5 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 70% | 0.701 | S | S | * | * | cis | -149.5 | -174.5 | -6.8 | -117.1 | -33 | 0 | 0 | 0 | 107.5 | ||||
| 1084 | E | 29 | Very low | 27.3 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | cis | -132.7 | -178.4 | 13.4 | -66.4 | 178.3 | 86.1 | 0 | 0 | 112 | ||||
| 1085 | E | 24.4 | Very low | 27.7 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | trans | -99.9 | -145.9 | 174.9 | -66.2 | -162.3 | 118.1 | 0 | 0 | 111.1 | ||||
| 1086 | P | 36.4 | Very low | 27.7 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | cis | -143.4 | 164.8 | -5.8 | 39.1 | -16.9 | 0 | 0 | 0 | 121.1 | ||||
| 1087 | E | 28.1 | Very low | 27.6 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | trans | 42.5 | 158.9 | 146.4 | -64 | -150 | 129.6 | 0 | 0 | 121.4 | K1089 | E1087-K1089 VanDerWaalsContact CD-NZ 3.35Å; E1087-K1089 IonicContact OE1-NZ 2.7Å; E1087-K1089 PolarHBondContact OE1-NZ 2.86Å; E1087-K1089 VanDerWaalsContact OE1-NZ 3.17Å; E1087-K1089 IonicContact OE2-NZ 3.82Å; E1087-K1089 PolarHBondContact OE2-NZ 3.34Å | ||
| 1088 | T | 31.1 | Very low | 27.8 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 63% | 0.632 | 72% | 0.723 | S | S | * | * | cis | -156.1 | 146.4 | 31.8 | 54 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1089 | K | 27 | Very low | 28.4 | Very low | 160 Ų | 160 | 130 Ų | 130 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | 47.3 | 145.9 | 128.7 | -60.4 | 153.7 | -174.8 | 135.2 | 0 | 120.7 | E1087 | E1087-K1089 VanDerWaalsContact CD-NZ 3.35Å; E1087-K1089 IonicContact OE1-NZ 2.7Å; E1087-K1089 PolarHBondContact OE1-NZ 2.86Å; E1087-K1089 VanDerWaalsContact OE1-NZ 3.17Å; E1087-K1089 IonicContact OE2-NZ 3.82Å; E1087-K1089 PolarHBondContact OE2-NZ 3.34Å | |||
| 1090 | A | 25.5 | Very low | 28.5 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | cis | -176.4 | 174.4 | -12 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1091 | V | 27 | Very low | 28.6 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | 85.6 | 119.1 | 138.6 | 146.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1092 | V | 27.5 | Very low | 28.5 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | 86.3 | 150.1 | 139.7 | 161.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1093 | P | 33.1 | Very low | 28.6 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | trans | -136.3 | 178.8 | -160.9 | 43.8 | -25.1 | 0 | 0 | 0 | 118.9 | ||||
| 1094 | K | 23.2 | Very low | 28.6 | Very low | 200 Ų | 200 | 130 Ų | 130 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | trans | 65.9 | 175.4 | 159.9 | -90.9 | -171.2 | 176.4 | -179 | 0 | 117.1 | ||||
| 1095 | P | 37.5 | Very low | 29 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 62% | 0.617 | 74% | 0.742 | S | S | * | * | cis | -135.5 | -168.6 | -43.3 | 39.4 | -22 | 0 | 0 | 0 | 113.6 | ||||
| 1096 | T | 25.6 | Very low | 29.2 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | 64.5 | 158.1 | 157 | 47.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1097 | A | 25.7 | Very low | 28.9 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | cis | -173.1 | 153.8 | -28.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1098 | V | 26.7 | Very low | 29 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | 57.8 | 144 | 136.6 | 163 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1099 | P | 37.2 | Very low | 29 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 62% | 0.617 | 74% | 0.743 | S | S | * | * | cis | -143.2 | -159.5 | -25.6 | 42.2 | -20.8 | 0 | 0 | 0 | 114.8 | ||||
| 1100 | E | 27 | Very low | 29 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | trans | 69.4 | 155.4 | 152.4 | -71.3 | -171.5 | 130.5 | 0 | 0 | 120 | ||||
| 1101 | Q | 28.6 | Very low | 29.2 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | cis | -154.3 | 156.9 | -4.5 | -126 | 179.3 | 38.7 | 0 | 0 | 112.1 | ||||
| 1102 | L | 25.8 | Very low | 29 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 37.8 | 135.9 | 148.8 | -69.4 | 164.9 | 0 | 0 | 0 | 123.8 | ||||
| 1103 | G | 29 | Very low | 29.5 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | 167.9 | 108.6 | 155 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1104 | S | 26.1 | Very low | 29.2 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -149.6 | 143.4 | 169.9 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1105 | P | 36.1 | Very low | 29.3 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | -137.2 | 160.7 | 105.9 | 23.8 | -2.4 | 0 | 0 | 0 | 111.9 | |||||
| 1106 | A | 28.6 | Very low | 29 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | 61.3 | 138.3 | 57.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1107 | A | 31.3 | Very low | 29.2 | Very low | 81 Ų | 81 | 122.7 Ų | 122.7 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -148.2 | -160.1 | 1.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1108 | Q | 30 | Very low | 29.7 | Very low | 189 Ų | 189 | 125 Ų | 125 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | cis | -169 | 175.6 | -2.4 | -132.8 | 161.1 | -34.4 | 0 | 0 | 105.7 | ||||
| 1109 | A | 29.9 | Very low | 29.8 | Very low | 64 Ų | 64 | 123.3 Ų | 123.3 | 53% | 0.529 | 77% | 0.767 | S | S | . | * | cis | -158.3 | 162.6 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1110 | E | 28.2 | Very low | 29.3 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 62 | 174 | 151.6 | -74.3 | 179.1 | -108.9 | 0 | 0 | 118.2 | ||||
| 1111 | V | 29.3 | Very low | 29.3 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -130 | -177.3 | 8.6 | -144.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1112 | L | 23.3 | Very low | 29.5 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -141.8 | -175.7 | -173.3 | -87.2 | 158.9 | 0 | 0 | 0 | 109.5 | ||||
| 1113 | P | 36.9 | Very low | 29.7 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | -121.5 | -144.9 | 1.4 | 26.9 | 0.1 | 0 | 0 | 0 | 111.2 | ||||
| 1114 | T | 27.5 | Very low | 29.6 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | cis | -162.3 | 144.5 | 11.5 | -16.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1115 | L | 25.5 | Very low | 29.7 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 33.9 | 116.2 | 147 | -67.2 | 171.1 | 0 | 0 | 0 | 123.6 | ||||
| 1116 | S | 30.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | -166.9 | 158.9 | 121.4 | -80.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 1117 | A | 29.5 | Very low | 29.2 | Very low | 96 Ų | 96 | 123 Ų | 123 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -159.7 | -178.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1118 | P | 36.4 | Very low | 29 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | cis | -129.1 | 174.6 | -44.6 | 35.3 | -20.1 | 0 | 0 | 0 | 113.3 | ||||
| 1119 | A | 28.8 | Very low | 28.8 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -151.6 | 137.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1120 | E | 27.7 | Very low | 28.8 | Very low | 184 Ų | 184 | 123.4 Ų | 123.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 11.7 | 134.7 | 168.3 | -56.3 | -168.5 | 145.3 | 0 | 0 | 123.7 | ||||
| 1121 | P | 27 | Very low | 29.1 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -98.7 | 156.5 | 164 | 38.5 | -32.2 | 0 | 0 | 0 | 113.2 | ||||
| 1122 | T | 31.3 | Very low | 29.6 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -137.3 | 151 | 174.8 | 44 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1123 | A | 30.1 | Very low | 30.1 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | 58.3 | 79.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1124 | A | 28.4 | Very low | 30.3 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | 8.8 | 126.4 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1125 | A | 27.8 | Very low | 31.1 | Very low | 102 Ų | 102 | 118 Ų | 118 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -72 | 140.2 | 160 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1127 | A1125-A1127 PolarHBondContact O-N 2.9Š|
| 1126 | A | 24.6 | Very low | 32 | Very low | 107 Ų | 107 | 114 Ų | 114 | 88% | 0.884 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 117.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1127 | A | 28.6 | Very low | 32.6 | Very low | 98 Ų | 98 | 113.5 Ų | 113.5 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 136.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | A1125 | A1125-A1127 PolarHBondContact O-N 2.9Š|
| 1128 | A | 26.8 | Very low | 33.3 | Very low | 88 Ų | 88 | 110.5 Ų | 110.5 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 152.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1130 | A1128-M1130 PolarHBondContact O-N 2.81Š|
| 1129 | P | 27.3 | Very low | 33.6 | Very low | 127 Ų | 127 | 105.6 Ų | 105.6 | 83% | 0.825 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -59 | 133.6 | 169.6 | -20.1 | 32.3 | 0 | 0 | 0 | 111 | ||
| 1130 | M | 29.7 | Very low | 34.4 | Very low | 129 Ų | 129 | 105.1 Ų | 105.1 | 64% | 0.635 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 127.7 | -172.8 | -163.8 | 172.2 | 178.9 | 0 | 0 | 111.2 | A1128 W1132 | A1128-M1130 PolarHBondContact O-N 2.81Å; M1130-W1132 PolarHBondContact O-N 3.4Å |
| 1131 | Q | 34.7 | Very low | 35.3 | Very low | 154 Ų | 154 | 102.2 Ų | 102.2 | 72% | 0.72 | 62% | 0.617 | S | S | * | * | trans | -72 | 80.9 | -177.7 | -69.3 | 177 | -40.3 | 0 | 0 | 112.5 | ||||
| 1132 | W | 38.6 | Very low | 36.6 | Very low | 125 Ų | 125 | 99.7 Ų | 99.7 | 47% | 0.473 | 59% | 0.593 | S | S | . | * | trans | -86.7 | -29.1 | -179.8 | 67 | -86.3 | 0 | 0 | 0 | 113.9 | M1130 D1134 H1135 | M1130-W1132 PolarHBondContact O-N 3.4Å; W1132-D1134 VanDerWaalsContact C-N 3.32Å; W1132-D1134 PolarHBondContact O-N 2.9Å; W1132-H1135 PolarHBondContact O-N 2.82Å | ||
| 1133 | F | 35.4 | Very low | 37.3 | Very low | 68 Ų | 68 | 98.5 Ų | 98.5 | 30% | 0.298 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -65.2 | -25.4 | -174 | -90.8 | -58.5 | 0 | 0 | 0 | 115.4 | H1135 P1345 | F1133-H1135 VanDerWaalsContact C-N 3.3Å; F1133-H1135 PolarHBondContact O-N 2.77Å; F1133-P1345 HydrophobicContact CD1-CG 4.21Å; F1133-P1345 HydrophobicContact CE1-CB 4.26Å; F1133-P1345 HydrophobicContact CE1-CG 3.68Å; F1133-P1345 HydrophobicContact CZ-CG 4.3Å |
| 1134 | D | 39.6 | Very low | 38.6 | Very low | 83 Ų | 83 | 97.3 Ų | 97.3 | 44% | 0.444 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -70.7 | -23.8 | -176.5 | -71.2 | -59.9 | 0 | 0 | 0 | 114 | W1132 W1136 K1137 | W1132-D1134 VanDerWaalsContact C-N 3.32Å; W1132-D1134 PolarHBondContact O-N 2.9Å; D1134-W1136 PolarHBondContact O-N 2.72Å; D1134-K1137 WeakPolarHBondContact OD1-CD 3.22Å; D1134-K1137 WeakPolarHBondContact OD1-CE 3.46Å; D1134-K1137 IonicContact OD1-NZ 3.19Å; D1134-K1137 PolarHBondContact OD1-NZ 3.29Å |
| 1135 | H | 44.9 | Very low | 40 | Very low | 135 Ų | 135 | 96.4 Ų | 96.4 | 63% | 0.625 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -72.2 | -29.2 | -179 | -77.3 | 86.3 | 0 | 0 | 0 | 113.5 | W1132 F1133 | W1132-H1135 PolarHBondContact O-N 2.82Å; F1133-H1135 VanDerWaalsContact C-N 3.3Å; F1133-H1135 PolarHBondContact O-N 2.77Å |
| 1136 | W | 45.3 | Very low | 41.6 | Very low | 75 Ų | 75 | 96.4 Ų | 96.4 | 28% | 0.284 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -16.8 | -179.5 | -70 | 77.1 | 0 | 0 | 0 | 113.3 | D1134 G1138 L1139 L1152 V1315 L1318 M1349 | D1134-W1136 PolarHBondContact O-N 2.72Å; W1136-G1138 PolarHBondContact O-N 2.88Å; W1136-G1138 VanDerWaalsContact O-N 3.13Å; W1136-L1139 HydrophobicContact CB-CD1 4.14Å; W1136-L1139 HydrophobicContact CD2-CD1 3.72Å; W1136-L1139 HydrophobicContact CE3-CD1 3.12Å; W1136-L1139 HydrophobicContact CG-CD1 4.2Å; W1136-L1139 HydrophobicContact CZ3-CD1 3.66Å; W1136-L1139 WeakPolarHBondContact O-CB 3.43Å; W1136-L1139 PolarHBondContact O-N 3.42Å; W1136-L1139 VanDerWaalsContact O-N 3.13Å; W1136-L1152 HydrophobicContact CH2-CD2 4.07Å; W1136-L1152 HydrophobicContact CZ3-CD2 4.39Å; W1136-V1315 HydrophobicContact CH2-CG2 4.21Å; W1136-V1315 HydrophobicContact CZ2-CG2 4.09Å; W1136-L1318 HydrophobicContact CH2-CD1 4.34Å; W1136-M1349 HydrophobicContact CE3-CE 4.34Å |
| 1137 | K | 41.3 | Very low | 43.5 | Very low | 120 Ų | 120 | 94.9 Ų | 94.9 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -57.9 | -25.7 | 175.1 | -72.5 | 175.8 | -169.1 | 167.8 | 0 | 113.7 | D1134 L1139 | D1134-K1137 WeakPolarHBondContact OD1-CD 3.22Å; D1134-K1137 WeakPolarHBondContact OD1-CE 3.46Å; D1134-K1137 IonicContact OD1-NZ 3.19Å; D1134-K1137 PolarHBondContact OD1-NZ 3.29Å; K1137-L1139 VanDerWaalsContact C-N 3.28Å; K1137-L1139 PolarHBondContact O-N 3.41Å |
| 1138 | G | 44.3 | Very low | 45 | Very low | 32 Ų | 32 | 92 Ų | 92 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -67.8 | -24.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1136 E1140 N1141 | W1136-G1138 PolarHBondContact O-N 2.88Å; W1136-G1138 VanDerWaalsContact O-N 3.13Å; G1138-E1140 PolarHBondContact O-N 3.48Å; G1138-N1141 PolarHBondContact O-N 2.98Å; G1138-N1141 PolarHBondContact O-ND2 3.38Å |
| 1139 | L | 44.5 | Very low | 46.8 | Very low | 27 Ų | 27 | 91.7 Ų | 91.7 | 14% | 0.141 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -72.9 | -13.3 | -172.1 | -66.6 | 151.9 | 0 | 0 | 0 | 113.6 | W1136 K1137 N1141 F1142 L1148 A1151 M1349 | W1136-L1139 HydrophobicContact CB-CD1 4.14Å; W1136-L1139 HydrophobicContact CD2-CD1 3.72Å; W1136-L1139 HydrophobicContact CE3-CD1 3.12Å; W1136-L1139 HydrophobicContact CG-CD1 4.2Å; W1136-L1139 HydrophobicContact CZ3-CD1 3.66Å; W1136-L1139 WeakPolarHBondContact O-CB 3.43Å; W1136-L1139 PolarHBondContact O-N 3.42Å; W1136-L1139 VanDerWaalsContact O-N 3.13Å; K1137-L1139 VanDerWaalsContact C-N 3.28Å; K1137-L1139 PolarHBondContact O-N 3.41Å; L1139-N1141 PolarHBondContact O-N 3.25Å; L1139-F1142 HydrophobicContact CB-CD2 4.43Å; L1139-F1142 HydrophobicContact CD2-CD2 3.93Å; L1139-F1142 HydrophobicContact CD2-CE2 3.78Å; L1139-F1142 HydrophobicContact CG-CE2 4.27Å; L1139-L1148 HydrophobicContact CD2-CD1 3.55Å; L1139-A1151 HydrophobicContact CD2-CB 4.02Å; L1139-M1349 HydrophobicContact CB-CE 3.83Å; L1139-M1349 HydrophobicContact CD1-CE 3.88Å; L1139-M1349 HydrophobicContact CG-CE 4.37Å |
| 1140 | E | 43.8 | Very low | 48.9 | Very low | 90 Ų | 90 | 92.2 Ų | 92.2 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -67.3 | -15.1 | 172.1 | -62.1 | -166.8 | -141.7 | 0 | 0 | 113.4 | G1138 K1348 N1352 | G1138-E1140 PolarHBondContact O-N 3.48Å; E1140-K1348 IonicContact OE1-NZ 3.1Å; E1140-K1348 PolarHBondContact OE1-NZ 3.4Å; E1140-K1348 IonicContact OE2-NZ 2.73Å; E1140-K1348 PolarHBondContact OE2-NZ 2.95Å; E1140-N1352 PolarHBondContact OE2-ND2 2.71Å |
| 1141 | N | 48.4 | Very low | 50.6 | Low | 124 Ų | 124 | 86.9 Ų | 86.9 | 66% | 0.663 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -96.6 | -4.7 | -172.9 | -59.6 | -58.2 | 0 | 0 | 0 | 114.9 | G1138 L1139 | G1138-N1141 PolarHBondContact O-N 2.98Å; G1138-N1141 PolarHBondContact O-ND2 3.38Å; L1139-N1141 PolarHBondContact O-N 3.25Å |
| 1142 | F | 53.1 | Low | 51.9 | Low | 74 Ų | 74 | 79.8 Ų | 79.8 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | trans | -88.4 | 125.1 | -174.9 | -60.6 | -53.2 | 0 | 0 | 0 | 111.9 | L1139 Q1147 A1151 | L1139-F1142 HydrophobicContact CB-CD2 4.43Å; L1139-F1142 HydrophobicContact CD2-CD2 3.93Å; L1139-F1142 HydrophobicContact CD2-CE2 3.78Å; L1139-F1142 HydrophobicContact CG-CE2 4.27Å; F1142-Q1147 HydrophobicContact CB-CB 3.83Å; F1142-Q1147 HydrophobicContact CD1-CB 3.75Å; F1142-Q1147 HydrophobicContact CG-CB 4.01Å; F1142-A1151 HydrophobicContact CD2-CB 4.07Å; F1142-A1151 HydrophobicContact CE2-CB 3.36Å; F1142-A1151 HydrophobicContact CZ-CB 3.64Å | ||
| 1143 | T | 46.2 | Very low | 53.4 | Low | 112 Ų | 112 | 77.3 Ų | 77.3 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | trans | -97.8 | -7.1 | -172.2 | 57.4 | 0 | 0 | 0 | 0 | 114 | Q1147 | T1143-Q1147 PolarHBondContact OG1-NE2 3.29Å; T1143-Q1147 PolarHBondContact OG1-OE1 2.9Å | ||
| 1144 | T | 58 | Low | 55.1 | Low | 71 Ų | 71 | 78.4 Ų | 78.4 | 44% | 0.436 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -138.9 | 157.7 | 177.4 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | D1146 Q1147 L1148 | T1144-D1146 VanDerWaalsContact C-N 3.27Å; T1144-D1146 PolarHBondContact O-N 3.47Å; T1144-Q1147 PolarHBondContact O-N 3.33Å; T1144-Q1147 WeakPolarHBondContact OG1-CG 3.35Å; T1144-Q1147 PolarHBondContact OG1-N 3.24Å; T1144-L1148 PolarHBondContact O-N 2.72Å |
| 1145 | V | 56.5 | Low | 56.2 | Low | 84 Ų | 84 | 76 Ų | 76 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | L1148 R1149 I1322 | V1145-L1148 WeakPolarHBondContact O-CB 3.33Å; V1145-L1148 PolarHBondContact O-N 2.92Å; V1145-R1149 WeakPolarHBondContact O-CB 3.44Å; V1145-R1149 PolarHBondContact O-N 3.21Å; V1145-I1322 HydrophobicContact CG1-CG2 4.05Å |
| 1146 | D | 62.7 | Low | 57 | Low | 101 Ų | 101 | 72.6 Ų | 72.6 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.7 | -30.9 | 178 | -68 | -55 | 0 | 0 | 0 | 113.7 | T1144 R1149 K1150 | T1144-D1146 VanDerWaalsContact C-N 3.27Å; T1144-D1146 PolarHBondContact O-N 3.47Å; D1146-R1149 IonicContact OD1-CZ 2.91Å; D1146-R1149 IonicContact OD1-NH1 2.88Å; D1146-R1149 PolarHBondContact OD1-NH1 2.82Å; D1146-K1150 VanDerWaalsContact O-CB 3.31Å; D1146-K1150 WeakPolarHBondContact O-CB 3.5Å; D1146-K1150 PolarHBondContact O-N 2.8Å |
| 1147 | Q | 64 | Low | 58.2 | Low | 76 Ų | 76 | 74.7 Ų | 74.7 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 170.8 | -71.7 | 174.2 | 10.5 | 0 | 0 | 111 | F1142 T1143 T1144 K1150 A1151 | F1142-Q1147 HydrophobicContact CB-CB 3.83Å; F1142-Q1147 HydrophobicContact CD1-CB 3.75Å; F1142-Q1147 HydrophobicContact CG-CB 4.01Å; T1143-Q1147 PolarHBondContact OG1-NE2 3.29Å; T1143-Q1147 PolarHBondContact OG1-OE1 2.9Å; T1144-Q1147 PolarHBondContact O-N 3.33Å; T1144-Q1147 WeakPolarHBondContact OG1-CG 3.35Å; T1144-Q1147 PolarHBondContact OG1-N 3.24Å; Q1147-K1150 PolarHBondContact O-N 3.08Å; Q1147-A1151 WeakPolarHBondContact O-CB 3.23Å; Q1147-A1151 PolarHBondContact O-N 3.41Å |
| 1148 | L | 59.7 | Low | 59.4 | Low | 38 Ų | 38 | 74.9 Ų | 74.9 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 174.7 | 177.3 | 60.9 | 0 | 0 | 0 | 111.9 | L1139 T1144 V1145 K1150 A1151 L1152 I1322 | L1139-L1148 HydrophobicContact CD2-CD1 3.55Å; T1144-L1148 PolarHBondContact O-N 2.72Å; V1145-L1148 WeakPolarHBondContact O-CB 3.33Å; V1145-L1148 PolarHBondContact O-N 2.92Å; L1148-K1150 VanDerWaalsContact C-N 3.34Å; L1148-K1150 PolarHBondContact O-N 2.84Å; L1148-A1151 PolarHBondContact O-N 3.17Å; L1148-L1152 HydrophobicContact CD1-CD1 4.23Å; L1148-L1152 HydrophobicContact CD1-CG 4.42Å; L1148-L1152 HydrophobicContact CG-CD1 4.16Å; L1148-L1152 WeakPolarHBondContact O-CG 3.47Å; L1148-L1152 PolarHBondContact O-N 2.98Å; L1148-I1322 HydrophobicContact CD2-CD1 4.3Å; L1148-I1322 HydrophobicContact CG-CD1 4.49Å |
| 1149 | R | 65.1 | Low | 60.2 | Low | 81 Ų | 81 | 74.8 Ų | 74.8 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.7 | -45.9 | 175.1 | 178.1 | -175.1 | -83.3 | 143.6 | -11 | 111.3 | V1145 D1146 L1152 E1153 M1319 | V1145-R1149 WeakPolarHBondContact O-CB 3.44Å; V1145-R1149 PolarHBondContact O-N 3.21Å; D1146-R1149 IonicContact OD1-CZ 2.91Å; D1146-R1149 IonicContact OD1-NH1 2.88Å; D1146-R1149 PolarHBondContact OD1-NH1 2.82Å; R1149-L1152 PolarHBondContact O-N 3.11Å; R1149-E1153 PolarHBondContact O-N 2.88Å; R1149-M1319 HydrophobicContact CG-CE 4.3Å |
| 1150 | K | 71.2 | Confident | 61.2 | Low | 137 Ų | 137 | 79 Ų | 79 | 60% | 0.596 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.8 | -42.6 | 177.6 | -172.8 | 177 | 177.1 | -176.4 | 0 | 112.2 | D1146 Q1147 L1148 L1152 E1153 E1154 | D1146-K1150 VanDerWaalsContact O-CB 3.31Å; D1146-K1150 WeakPolarHBondContact O-CB 3.5Å; D1146-K1150 PolarHBondContact O-N 2.8Å; Q1147-K1150 PolarHBondContact O-N 3.08Å; L1148-K1150 VanDerWaalsContact C-N 3.34Å; L1148-K1150 PolarHBondContact O-N 2.84Å; K1150-L1152 VanDerWaalsContact C-N 3.32Å; K1150-L1152 PolarHBondContact O-N 2.72Å; K1150-E1153 PolarHBondContact O-N 2.92Å; K1150-E1154 WeakPolarHBondContact CE-OE1 3.36Å; K1150-E1154 WeakPolarHBondContact O-CG 3.39Å; K1150-E1154 PolarHBondContact O-N 2.93Å |
| 1151 | A | 65.2 | Low | 62.4 | Low | 17 Ų | 17 | 80.3 Ų | 80.3 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1139 F1142 Q1147 L1148 E1154 A1155 | L1139-A1151 HydrophobicContact CD2-CB 4.02Å; F1142-A1151 HydrophobicContact CD2-CB 4.07Å; F1142-A1151 HydrophobicContact CE2-CB 3.36Å; F1142-A1151 HydrophobicContact CZ-CB 3.64Å; Q1147-A1151 WeakPolarHBondContact O-CB 3.23Å; Q1147-A1151 PolarHBondContact O-N 3.41Å; L1148-A1151 PolarHBondContact O-N 3.17Å; A1151-E1154 PolarHBondContact O-N 3.04Å; A1151-A1155 WeakPolarHBondContact O-CB 3.24Å; A1151-A1155 PolarHBondContact O-N 2.82Å |
| 1152 | L | 62.9 | Low | 63 | Low | 6 Ų | 6 | 77.2 Ų | 77.2 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 175 | -73 | 168.2 | 0 | 0 | 0 | 112.5 | W1136 L1148 R1149 K1150 A1155 K1156 M1319 I1322 | W1136-L1152 HydrophobicContact CH2-CD2 4.07Å; W1136-L1152 HydrophobicContact CZ3-CD2 4.39Å; L1148-L1152 HydrophobicContact CD1-CD1 4.23Å; L1148-L1152 HydrophobicContact CD1-CG 4.42Å; L1148-L1152 HydrophobicContact CG-CD1 4.16Å; L1148-L1152 WeakPolarHBondContact O-CG 3.47Å; L1148-L1152 PolarHBondContact O-N 2.98Å; R1149-L1152 PolarHBondContact O-N 3.11Å; K1150-L1152 VanDerWaalsContact C-N 3.32Å; K1150-L1152 PolarHBondContact O-N 2.72Å; L1152-A1155 PolarHBondContact O-N 2.97Å; L1152-K1156 WeakPolarHBondContact O-CB 3.33Å; L1152-K1156 PolarHBondContact O-N 2.93Å; L1152-M1319 HydrophobicContact CB-CG 4.31Å; L1152-M1319 HydrophobicContact CB-SD 3.66Å; L1152-M1319 HydrophobicContact CD1-SD 4.31Å; L1152-I1322 HydrophobicContact CD1-CD1 3.48Å; L1152-I1322 VanDerWaalsContact CD1-CD1 3.48Å |
| 1153 | E | 69.4 | Low | 63.1 | Low | 73 Ų | 73 | 75.2 Ų | 75.2 | 34% | 0.341 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 170.5 | -78 | -64 | 154.5 | 0 | 0 | 112.4 | R1149 K1150 A1155 K1156 L1157 M1319 | R1149-E1153 PolarHBondContact O-N 2.88Å; K1150-E1153 PolarHBondContact O-N 2.92Å; E1153-A1155 VanDerWaalsContact C-N 3.29Å; E1153-A1155 PolarHBondContact O-N 3.01Å; E1153-K1156 PolarHBondContact O-N 2.84Å; E1153-K1156 IonicContact OE1-NZ 3.85Å; E1153-K1156 PolarHBondContact OE1-NZ 2.7Å; E1153-K1156 WeakPolarHBondContact OE2-CD 3.46Å; E1153-K1156 IonicContact OE2-NZ 2.79Å; E1153-K1156 PolarHBondContact OE2-NZ 2.91Å; E1153-L1157 WeakPolarHBondContact O-CB 3.44Å; E1153-L1157 PolarHBondContact O-N 2.83Å; E1153-M1319 HydrophobicContact CG-CE 4.13Å; E1153-M1319 WeakPolarHBondContact OE1-CE 3.36Å |
| 1154 | E | 71.6 | Confident | 63.9 | Low | 90 Ų | 90 | 72.2 Ų | 72.2 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -27.2 | 175 | -70.8 | 179.8 | -160.5 | 0 | 0 | 113.2 | K1150 A1151 R1158 | K1150-E1154 WeakPolarHBondContact CE-OE1 3.36Å; K1150-E1154 WeakPolarHBondContact O-CG 3.39Å; K1150-E1154 PolarHBondContact O-N 2.93Å; A1151-E1154 PolarHBondContact O-N 3.04Å; E1154-R1158 WeakPolarHBondContact O-CG 3.4Å; E1154-R1158 PolarHBondContact O-N 2.97Å; E1154-R1158 PolarHBondContact O-NE 2.99Å; E1154-R1158 IonicContact OE2-NH2 2.76Å |
| 1155 | A | 63.1 | Low | 64.3 | Low | 32 Ų | 32 | 74.9 Ų | 74.9 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -76.2 | -45.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1151 L1152 E1153 L1157 R1158 R1159 | A1151-A1155 WeakPolarHBondContact O-CB 3.24Å; A1151-A1155 PolarHBondContact O-N 2.82Å; L1152-A1155 PolarHBondContact O-N 2.97Å; E1153-A1155 VanDerWaalsContact C-N 3.29Å; E1153-A1155 PolarHBondContact O-N 3.01Å; A1155-L1157 VanDerWaalsContact C-N 3.34Å; A1155-L1157 PolarHBondContact O-N 3.44Å; A1155-R1158 PolarHBondContact O-N 2.9Å; A1155-R1159 PolarHBondContact O-N 3.42Å |
| 1156 | K | 61.7 | Low | 64.1 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.3 | -46 | 173.4 | 175.9 | 179.4 | 160.5 | -144.2 | 0 | 111.7 | L1152 E1153 R1159 F1160 V1315 | L1152-K1156 WeakPolarHBondContact O-CB 3.33Å; L1152-K1156 PolarHBondContact O-N 2.93Å; E1153-K1156 PolarHBondContact O-N 2.84Å; E1153-K1156 IonicContact OE1-NZ 3.85Å; E1153-K1156 PolarHBondContact OE1-NZ 2.7Å; E1153-K1156 WeakPolarHBondContact OE2-CD 3.46Å; E1153-K1156 IonicContact OE2-NZ 2.79Å; E1153-K1156 PolarHBondContact OE2-NZ 2.91Å; K1156-R1159 PolarHBondContact O-N 2.99Å; K1156-F1160 WeakPolarHBondContact O-CB 3.41Å; K1156-F1160 PolarHBondContact O-N 2.88Å; K1156-V1315 HydrophobicContact CB-CG1 3.87Å |
| 1157 | L | 69.8 | Low | 63.7 | Low | 119 Ų | 119 | 74.2 Ų | 74.2 | 62% | 0.623 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.2 | -43.3 | 176.7 | -169.6 | 68.3 | 0 | 0 | 0 | 112.2 | E1153 A1155 F1160 E1161 | E1153-L1157 WeakPolarHBondContact O-CB 3.44Å; E1153-L1157 PolarHBondContact O-N 2.83Å; A1155-L1157 VanDerWaalsContact C-N 3.34Å; A1155-L1157 PolarHBondContact O-N 3.44Å; L1157-F1160 WeakPolarHBondContact O-CB 3.26Å; L1157-F1160 PolarHBondContact O-N 2.71Å; L1157-E1161 PolarHBondContact O-N 3.35Å |
| 1158 | R | 66.5 | Low | 63.7 | Low | 124 Ų | 124 | 78.4 Ų | 78.4 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 176.5 | -81.2 | 177.6 | -88.6 | -167.3 | -12.2 | 112.6 | E1154 A1155 F1160 E1161 E1162 | E1154-R1158 WeakPolarHBondContact O-CG 3.4Å; E1154-R1158 PolarHBondContact O-N 2.97Å; E1154-R1158 PolarHBondContact O-NE 2.99Å; E1154-R1158 IonicContact OE2-NH2 2.76Å; A1155-R1158 PolarHBondContact O-N 2.9Å; R1158-F1160 VanDerWaalsContact C-N 3.28Å; R1158-F1160 PolarHBondContact O-N 3.09Å; R1158-E1161 WeakPolarHBondContact O-CB 3.47Å; R1158-E1161 PolarHBondContact O-N 3.48Å; R1158-E1161 VanDerWaalsContact O-N 3.11Å; R1158-E1162 PolarHBondContact O-N 3.44Å |
| 1159 | R | 61.4 | Low | 63.7 | Low | 30 Ų | 30 | 80.8 Ų | 80.8 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69 | -27.9 | 179.6 | -147.9 | 55.7 | 156.5 | 152.1 | -3.2 | 112.1 | A1155 K1156 E1162 L1163 V1308 E1311 | A1155-R1159 PolarHBondContact O-N 3.42Å; K1156-R1159 PolarHBondContact O-N 2.99Å; R1159-E1162 WeakPolarHBondContact CD-OE2 3.47Å; R1159-E1162 IonicContact CZ-OE2 3.62Å; R1159-E1162 IonicContact NE-OE2 3Å; R1159-E1162 IonicContact NH1-OE1 2.79Å; R1159-E1162 IonicContact NH1-OE2 3.57Å; R1159-E1162 PolarHBondContact NH1-OE2 3.02Å; R1159-E1162 PolarHBondContact O-N 2.81Å; R1159-L1163 WeakPolarHBondContact O-CB 3.13Å; R1159-L1163 WeakPolarHBondContact O-CG 3.38Å; R1159-L1163 PolarHBondContact O-N 3.02Å; R1159-V1308 HydrophobicContact CG-CG1 4.22Å; R1159-E1311 HydrophobicContact CG-CB 4.49Å; R1159-E1311 IonicContact CZ-OE1 3.21Å; R1159-E1311 IonicContact CZ-OE2 3.99Å; R1159-E1311 IonicContact NE-OE1 2.82Å; R1159-E1311 IonicContact NE-OE2 2.75Å; R1159-E1311 PolarHBondContact NE-OE2 2.92Å; R1159-E1311 IonicContact NH2-OE1 3.67Å; R1159-E1311 PolarHBondContact NH2-OE1 3.47Å; R1159-E1311 IonicContact NH2-OE2 2.71Å; R1159-E1311 PolarHBondContact NH2-OE2 3.34Å |
| 1160 | F | 64.6 | Low | 63.1 | Low | 116 Ų | 116 | 78.6 Ų | 78.6 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 168.9 | -178 | -97.5 | 0 | 0 | 0 | 113.1 | K1156 L1157 R1158 N1164 | K1156-F1160 WeakPolarHBondContact O-CB 3.41Å; K1156-F1160 PolarHBondContact O-N 2.88Å; L1157-F1160 WeakPolarHBondContact O-CB 3.26Å; L1157-F1160 PolarHBondContact O-N 2.71Å; R1158-F1160 VanDerWaalsContact C-N 3.28Å; R1158-F1160 PolarHBondContact O-N 3.09Å; F1160-N1164 WeakPolarHBondContact CE1-ND2 3.39Å; F1160-N1164 PolarHBondContact O-N 3.06Å; F1160-N1164 VanDerWaalsContact O-N 3.17Å; F1160-N1164 PolarHBondContact O-ND2 2.91Å |
| 1161 | E | 69.1 | Low | 62.3 | Low | 117 Ų | 117 | 78.7 Ų | 78.7 | 55% | 0.547 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 172.6 | -64.9 | -163.9 | 158.2 | 0 | 0 | 112.2 | L1157 R1158 N1164 K1165 | L1157-E1161 PolarHBondContact O-N 3.35Å; R1158-E1161 WeakPolarHBondContact O-CB 3.47Å; R1158-E1161 PolarHBondContact O-N 3.48Å; R1158-E1161 VanDerWaalsContact O-N 3.11Å; E1161-N1164 CarbonylContact O-C 3.59Å; E1161-N1164 WeakPolarHBondContact O-CB 3.3Å; E1161-N1164 PolarHBondContact O-N 3.1Å; E1161-N1164 VanDerWaalsContact O-N 3.14Å; E1161-K1165 PolarHBondContact O-N 3.39Å |
| 1162 | E | 61.5 | Low | 61.9 | Low | 58 Ų | 58 | 81.6 Ų | 81.6 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 178.6 | -66.2 | -171.7 | 114.2 | 0 | 0 | 112.5 | R1158 R1159 N1164 K1165 T1166 V1308 | R1158-E1162 PolarHBondContact O-N 3.44Å; R1159-E1162 WeakPolarHBondContact CD-OE2 3.47Å; R1159-E1162 IonicContact CZ-OE2 3.62Å; R1159-E1162 IonicContact NE-OE2 3Å; R1159-E1162 IonicContact NH1-OE1 2.79Å; R1159-E1162 IonicContact NH1-OE2 3.57Å; R1159-E1162 PolarHBondContact NH1-OE2 3.02Å; R1159-E1162 PolarHBondContact O-N 2.81Å; E1162-N1164 PolarHBondContact O-N 3.18Å; E1162-K1165 WeakPolarHBondContact O-CA 3.33Å; E1162-K1165 WeakPolarHBondContact O-CB 3.42Å; E1162-K1165 PolarHBondContact O-N 3.38Å; E1162-T1166 PolarHBondContact O-N 3.32Å; E1162-T1166 PolarHBondContact O-OG1 2.93Å; E1162-T1166 VanDerWaalsContact O-OG1 3.1Å; E1162-V1308 HydrophobicContact CB-CG1 4.06Å |
| 1163 | L | 55.3 | Low | 61.3 | Low | 32 Ų | 32 | 85.9 Ų | 85.9 | 17% | 0.168 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -53.4 | -39.8 | 167.7 | -82.7 | 169 | 0 | 0 | 0 | 111.6 | R1159 R1167 V1308 L1309 D1312 | R1159-L1163 WeakPolarHBondContact O-CB 3.13Å; R1159-L1163 WeakPolarHBondContact O-CG 3.38Å; R1159-L1163 PolarHBondContact O-N 3.02Å; L1163-R1167 WeakPolarHBondContact O-CB 3.43Å; L1163-R1167 PolarHBondContact O-N 3.23Å; L1163-V1308 HydrophobicContact CD2-CB 4.44Å; L1163-V1308 HydrophobicContact CD2-CG1 4.01Å; L1163-V1308 HydrophobicContact CG-CG1 3.91Å; L1163-L1309 HydrophobicContact CD2-CD2 3.61Å; L1163-L1309 HydrophobicContact CD2-CG 3.84Å; L1163-D1312 HydrophobicContact CD1-CB 3.77Å |
| 1164 | N | 63.8 | Low | 60.2 | Low | 50 Ų | 50 | 85.5 Ų | 85.5 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73.5 | -29.1 | 176.6 | -77.5 | -63.4 | 0 | 0 | 0 | 113.6 | F1160 E1161 E1162 K1168 | F1160-N1164 WeakPolarHBondContact CE1-ND2 3.39Å; F1160-N1164 PolarHBondContact O-N 3.06Å; F1160-N1164 VanDerWaalsContact O-N 3.17Å; F1160-N1164 PolarHBondContact O-ND2 2.91Å; E1161-N1164 CarbonylContact O-C 3.59Å; E1161-N1164 WeakPolarHBondContact O-CB 3.3Å; E1161-N1164 PolarHBondContact O-N 3.1Å; E1161-N1164 VanDerWaalsContact O-N 3.14Å; E1162-N1164 PolarHBondContact O-N 3.18Å; N1164-K1168 WeakPolarHBondContact O-CG 3.38Å; N1164-K1168 PolarHBondContact O-N 3.18Å |
| 1165 | K | 64.9 | Low | 59.4 | Low | 127 Ų | 127 | 85.2 Ų | 85.2 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.7 | -50.1 | 168.2 | -66.1 | 168.7 | -169.3 | 162.6 | 0 | 110.6 | E1161 E1162 R1167 K1168 M1169 | E1161-K1165 PolarHBondContact O-N 3.39Å; E1162-K1165 WeakPolarHBondContact O-CA 3.33Å; E1162-K1165 WeakPolarHBondContact O-CB 3.42Å; E1162-K1165 PolarHBondContact O-N 3.38Å; K1165-R1167 VanDerWaalsContact C-N 3.3Å; K1165-R1167 PolarHBondContact O-N 2.98Å; K1165-K1168 WeakPolarHBondContact O-CB 3.25Å; K1165-K1168 PolarHBondContact O-N 3.11Å; K1165-M1169 PolarHBondContact O-N 3.22Å |
| 1166 | T | 53.8 | Low | 58.7 | Low | 26 Ų | 26 | 86 Ų | 86 | 16% | 0.16 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 112 | E1162 K1168 M1169 W1170 T1305 | E1162-T1166 PolarHBondContact O-N 3.32Å; E1162-T1166 PolarHBondContact O-OG1 2.93Å; E1162-T1166 VanDerWaalsContact O-OG1 3.1Å; T1166-K1168 PolarHBondContact O-N 2.93Å; T1166-M1169 WeakPolarHBondContact O-CB 3.46Å; T1166-M1169 PolarHBondContact O-N 2.85Å; T1166-W1170 PolarHBondContact O-N 2.81Å; T1166-T1305 HydrophobicContact CG2-CG2 3.59Å |
| 1167 | R | 52.5 | Low | 57.7 | Low | 145 Ų | 145 | 83.8 Ų | 83.8 | 55% | 0.547 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 174 | -176.3 | -180 | 179.6 | -171.2 | 1 | 113 | L1163 K1165 K1171 | L1163-R1167 WeakPolarHBondContact O-CB 3.43Å; L1163-R1167 PolarHBondContact O-N 3.23Å; K1165-R1167 VanDerWaalsContact C-N 3.3Å; K1165-R1167 PolarHBondContact O-N 2.98Å; R1167-K1171 WeakPolarHBondContact O-CB 3.11Å; R1167-K1171 PolarHBondContact O-N 2.83Å; R1167-K1171 VanDerWaalsContact O-N 3.14Å |
| 1168 | K | 64.5 | Low | 56.5 | Low | 163 Ų | 163 | 84.3 Ų | 84.3 | 71% | 0.709 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.5 | -42.7 | 172.5 | -72.6 | 174.5 | 179.9 | -179.8 | 0 | 111.3 | N1164 K1165 T1166 K1171 S1172 | N1164-K1168 WeakPolarHBondContact O-CG 3.38Å; N1164-K1168 PolarHBondContact O-N 3.18Å; K1165-K1168 WeakPolarHBondContact O-CB 3.25Å; K1165-K1168 PolarHBondContact O-N 3.11Å; T1166-K1168 PolarHBondContact O-N 2.93Å; K1168-K1171 PolarHBondContact O-N 2.83Å; K1168-S1172 PolarHBondContact O-N 3.33Å |
| 1169 | M | 61.1 | Low | 55.8 | Low | 88 Ų | 88 | 88.1 Ų | 88.1 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 176.2 | -173.3 | -177.5 | 76.5 | 0 | 0 | 112 | K1165 T1166 K1171 S1172 L1173 T1305 | K1165-M1169 PolarHBondContact O-N 3.22Å; T1166-M1169 WeakPolarHBondContact O-CB 3.46Å; T1166-M1169 PolarHBondContact O-N 2.85Å; M1169-K1171 VanDerWaalsContact C-N 3.3Å; M1169-K1171 PolarHBondContact O-N 3.35Å; M1169-S1172 WeakPolarHBondContact O-CB 3.37Å; M1169-S1172 PolarHBondContact O-N 2.81Å; M1169-S1172 VanDerWaalsContact O-N 3.11Å; M1169-L1173 HydrophobicContact CG-CD1 4.19Å; M1169-L1173 PolarHBondContact O-N 2.95Å; M1169-T1305 HydrophobicContact CE-CG2 3.82Å |
| 1170 | W | 51.2 | Low | 54.6 | Low | 36 Ų | 36 | 93.5 Ų | 93.5 | 14% | 0.136 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63 | -34.3 | 177 | -111.5 | 97.5 | 0 | 0 | 0 | 112.9 | T1166 H1174 L1268 I1272 | T1166-W1170 PolarHBondContact O-N 2.81Å; W1170-H1174 VanDerWaalsContact O-CB 3.31Å; W1170-H1174 WeakPolarHBondContact O-CB 3.33Å; W1170-H1174 PolarHBondContact O-N 3.08Å; W1170-L1268 HydrophobicContact CH2-CD1 4.21Å; W1170-I1272 HydrophobicContact CH2-CD1 4.23Å; W1170-I1272 HydrophobicContact CH2-CG1 3.59Å; W1170-I1272 HydrophobicContact CZ3-CD1 4.25Å; W1170-I1272 HydrophobicContact CZ3-CG1 3.89Å |
| 1171 | K | 55 | Low | 53.2 | Low | 139 Ų | 139 | 93.9 Ų | 93.9 | 60% | 0.604 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 172.8 | -165 | -174.5 | 178.7 | -163.2 | 0 | 111.3 | R1167 K1168 M1169 H1174 E1175 | R1167-K1171 WeakPolarHBondContact O-CB 3.11Å; R1167-K1171 PolarHBondContact O-N 2.83Å; R1167-K1171 VanDerWaalsContact O-N 3.14Å; K1168-K1171 PolarHBondContact O-N 2.83Å; M1169-K1171 VanDerWaalsContact C-N 3.3Å; M1169-K1171 PolarHBondContact O-N 3.35Å; K1171-H1174 PolarHBondContact O-N 3.1Å; K1171-E1175 VanDerWaalsContact CE-OE1 3.28Å; K1171-E1175 WeakPolarHBondContact CE-OE1 3.38Å; K1171-E1175 IonicContact NZ-OE1 2.87Å; K1171-E1175 WeakPolarHBondContact O-CB 3.09Å; K1171-E1175 WeakPolarHBondContact O-CG 3.35Å; K1171-E1175 PolarHBondContact O-N 2.99Å |
| 1172 | S | 56.5 | Low | 51.6 | Low | 78 Ų | 78 | 93.6 Ų | 93.6 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | K1168 M1169 H1174 E1175 A1176 | K1168-S1172 PolarHBondContact O-N 3.33Å; M1169-S1172 WeakPolarHBondContact O-CB 3.37Å; M1169-S1172 PolarHBondContact O-N 2.81Å; M1169-S1172 VanDerWaalsContact O-N 3.11Å; S1172-H1174 VanDerWaalsContact C-N 3.34Å; S1172-H1174 PolarHBondContact O-N 3.46Å; S1172-E1175 CarbonylContact O-C 3.59Å; S1172-E1175 PolarHBondContact O-N 3.44Å; S1172-A1176 PolarHBondContact O-N 3.46Å |
| 1173 | L | 49.5 | Very low | 50.4 | Low | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 174.7 | -75.5 | 167.1 | 0 | 0 | 0 | 111.9 | M1169 A1176 A1177 | M1169-L1173 HydrophobicContact CG-CD1 4.19Å; M1169-L1173 PolarHBondContact O-N 2.95Å; L1173-A1176 PolarHBondContact O-N 3.41Å; L1173-A1177 WeakPolarHBondContact O-CB 3.48Å; L1173-A1177 PolarHBondContact O-N 2.98Å |
| 1174 | H | 47.3 | Very low | 49.1 | Very low | 66 Ų | 66 | 97.5 Ų | 97.5 | 31% | 0.306 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.1 | -34.5 | 175.6 | -168.1 | 59 | 0 | 0 | 0 | 112.4 | W1170 K1171 S1172 A1176 K1178 | W1170-H1174 VanDerWaalsContact O-CB 3.31Å; W1170-H1174 WeakPolarHBondContact O-CB 3.33Å; W1170-H1174 PolarHBondContact O-N 3.08Å; K1171-H1174 PolarHBondContact O-N 3.1Å; S1172-H1174 VanDerWaalsContact C-N 3.34Å; S1172-H1174 PolarHBondContact O-N 3.46Å; H1174-A1176 VanDerWaalsContact C-N 3.32Å; H1174-K1178 VanDerWaalsContact O-CB 3.25Å; H1174-K1178 WeakPolarHBondContact O-CB 3.48Å; H1174-K1178 PolarHBondContact O-N 3.25Å |
| 1175 | E | 53.7 | Low | 47.5 | Very low | 83 Ų | 83 | 105.1 Ų | 105.1 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.4 | -26.2 | 171.6 | -76.7 | 175.6 | -155.2 | 0 | 0 | 113.2 | K1171 S1172 R1179 | K1171-E1175 VanDerWaalsContact CE-OE1 3.28Å; K1171-E1175 WeakPolarHBondContact CE-OE1 3.38Å; K1171-E1175 IonicContact NZ-OE1 2.87Å; K1171-E1175 WeakPolarHBondContact O-CB 3.09Å; K1171-E1175 WeakPolarHBondContact O-CG 3.35Å; K1171-E1175 PolarHBondContact O-N 2.99Å; S1172-E1175 CarbonylContact O-C 3.59Å; S1172-E1175 PolarHBondContact O-N 3.44Å; E1175-R1179 WeakPolarHBondContact O-CG 3.49Å; E1175-R1179 PolarHBondContact O-NE 2.95Å |
| 1176 | A | 48.9 | Very low | 46 | Very low | 48 Ų | 48 | 103.8 Ų | 103.8 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.3 | -49 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1172 L1173 H1174 K1178 R1179 E1180 | S1172-A1176 PolarHBondContact O-N 3.46Å; L1173-A1176 PolarHBondContact O-N 3.41Å; H1174-A1176 VanDerWaalsContact C-N 3.32Å; A1176-K1178 PolarHBondContact O-N 3.12Å; A1176-R1179 WeakPolarHBondContact O-CA 3.17Å; A1176-R1179 WeakPolarHBondContact O-CB 3.2Å; A1176-R1179 PolarHBondContact O-N 2.66Å; A1176-E1180 PolarHBondContact O-N 3.49Å |
| 1177 | A | 41.8 | Very low | 45.4 | Very low | 19 Ų | 19 | 106 Ų | 106 | 16% | 0.157 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -64.2 | -9.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1173 | L1173-A1177 WeakPolarHBondContact O-CB 3.48Å; L1173-A1177 PolarHBondContact O-N 2.98Å |
| 1178 | K | 44.2 | Very low | 45 | Very low | 131 Ų | 131 | 107.4 Ų | 107.4 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -13.9 | 171.1 | -169.1 | 178.1 | 179.6 | -172.9 | 0 | 113.1 | H1174 A1176 | H1174-K1178 VanDerWaalsContact O-CB 3.25Å; H1174-K1178 WeakPolarHBondContact O-CB 3.48Å; H1174-K1178 PolarHBondContact O-N 3.25Å; A1176-K1178 PolarHBondContact O-N 3.12Å |
| 1179 | R | 50.8 | Low | 44.3 | Very low | 204 Ų | 204 | 106.2 Ų | 106.2 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -32.1 | 172.3 | -64.3 | 168.9 | -159.7 | -157.3 | 2.4 | 111.6 | E1175 A1176 | E1175-R1179 WeakPolarHBondContact O-CG 3.49Å; E1175-R1179 PolarHBondContact O-NE 2.95Å; A1176-R1179 WeakPolarHBondContact O-CA 3.17Å; A1176-R1179 WeakPolarHBondContact O-CB 3.2Å; A1176-R1179 PolarHBondContact O-N 2.66Å |
| 1180 | E | 36.8 | Very low | 44.1 | Very low | 142 Ų | 142 | 105 Ų | 105 | 66% | 0.664 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -81.4 | 130.6 | 173.1 | -64.6 | -173.6 | 171.2 | 0 | 0 | 111.2 | A1176 T1182 | A1176-E1180 PolarHBondContact O-N 3.49Å; E1180-T1182 PolarHBondContact O-N 3.44Å |
| 1181 | S | 34.3 | Very low | 44.8 | Very low | 124 Ų | 124 | 103.4 Ų | 103.4 | 87% | 0.867 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 49.6 | -164.5 | -160.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1182 | T | 36.1 | Very low | 45.3 | Very low | 112 Ų | 112 | 99.4 Ų | 99.4 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -22.9 | -175.1 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | E1180 G1184 | E1180-T1182 PolarHBondContact O-N 3.44Å; T1182-G1184 PolarHBondContact O-N 3.48Å; T1182-G1184 VanDerWaalsContact O-N 3.11Å |
| 1183 | Y | 35.9 | Very low | 45.9 | Very low | 107 Ų | 107 | 98 Ų | 98 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -71.1 | -1.2 | 175.8 | -107.9 | -72.5 | 0 | 0 | 0 | 115 | K1185 L1268 I1272 | Y1183-K1185 VanDerWaalsContact C-N 3.3Å; Y1183-K1185 PolarHBondContact O-N 2.82Å; Y1183-L1268 HydrophobicContact CE2-CD2 4.47Å; Y1183-I1272 VanDerWaalsContact OH-CD1 3.31Å; Y1183-I1272 WeakPolarHBondContact OH-CD1 3.32Å |
| 1184 | G | 29.5 | Very low | 46.5 | Very low | 65 Ų | 65 | 101.8 Ų | 101.8 | 67% | 0.67 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 41.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | T1182 | T1182-G1184 PolarHBondContact O-N 3.48Å; T1182-G1184 VanDerWaalsContact O-N 3.11Å |
| 1185 | K | 30 | Very low | 47 | Very low | 209 Ų | 209 | 105 Ų | 105 | 91% | 0.909 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.4 | 18.2 | 175.3 | -116.2 | 152.4 | -167.7 | 171.3 | 0 | 119.2 | Y1183 | Y1183-K1185 VanDerWaalsContact C-N 3.3Å; Y1183-K1185 PolarHBondContact O-N 2.82Å |
| 1186 | S | 33.3 | Very low | 47 | Very low | 99 Ų | 99 | 105.1 Ų | 105.1 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -147.9 | 110 | 166.5 | 62.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1187 | G | 39.4 | Very low | 47 | Very low | 73 Ų | 73 | 104.4 Ų | 104.4 | 75% | 0.753 | 56% | 0.563 | S | S | * | * | trans | 43.2 | 90.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | K1189 | G1187-K1189 PolarHBondContact O-N 3.15Š| ||
| 1188 | Q | 44.6 | Very low | 47.2 | Very low | 175 Ų | 175 | 105.5 Ų | 105.5 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | trans | -55.8 | 118 | 168.3 | -72.3 | 175.5 | -34 | 0 | 0 | 111.6 | I1190 | Q1188-I1190 HydrophobicContact CB-CG1 4.27Å; Q1188-I1190 PolarHBondContact O-N 3.32Å | ||
| 1189 | K | 49.7 | Very low | 47.3 | Very low | 137 Ų | 137 | 104.6 Ų | 104.6 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | trans | -84.4 | 86.7 | 167.6 | -72.5 | -166.5 | 176.3 | -172.7 | 0 | 110.1 | G1187 A1215 | G1187-K1189 PolarHBondContact O-N 3.15Å; K1189-A1215 HydrophobicContact CB-CB 3.88Å | ||
| 1190 | I | 57.2 | Low | 47.2 | Very low | 64 Ų | 64 | 103.4 Ų | 103.4 | 33% | 0.328 | 59% | 0.59 | S | S | . | * | trans | -68.4 | 155.3 | 172.3 | -50.3 | 174.1 | 0 | 0 | 0 | 109.6 | Q1188 Q1195 | Q1188-I1190 HydrophobicContact CB-CG1 4.27Å; Q1188-I1190 PolarHBondContact O-N 3.32Å; I1190-Q1195 WeakPolarHBondContact CG2-O 3.31Å | ||
| 1191 | C | 66.1 | Low | 47.5 | Very low | 1 Ų | 1 | 100.3 Ų | 100.3 | 1% | 0.007 | 58% | 0.577 | C | S | . | * | trans | -49.3 | 155.1 | 164.5 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | C1193 K1194 H1218 | C1191-C1193 PolarHBondContact O-N 2.9Å; C1191-K1194 PolarHBondContact O-N 3.39Å; C1191-H1218 PolarHBondContact SG-N 3.36Å; C1191-H1218 PolarHBondContact SG-ND1 3.27Å; C1191-H1218 VanDerWaalsContact SG-ND1 3.38Å | ||
| 1192 | I | 65.6 | Low | 48 | Very low | 55 Ų | 55 | 99.5 Ų | 99.5 | 28% | 0.282 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.6 | -26.7 | -171.2 | -48.8 | -179.6 | 0 | 0 | 0 | 112.6 | K1194 Y1217 M1225 P1240 | I1192-K1194 PolarHBondContact O-N 2.85Å; I1192-Y1217 HydrophobicContact CD1-CD1 4.17Å; I1192-Y1217 HydrophobicContact CD1-CE1 4.05Å; I1192-Y1217 HydrophobicContact CG1-CD1 3.75Å; I1192-Y1217 HydrophobicContact CG1-CE1 3.55Å; I1192-M1225 HydrophobicContact CD1-SD 3.35Å; I1192-M1225 WeakPolarHBondContact CD1-SD 3.31Å; I1192-M1225 HydrophobicContact CG2-SD 4.24Å; I1192-P1240 HydrophobicContact CD1-CG 4.07Å |
| 1193 | C | 69.5 | Low | 48.5 | Very low | 48 Ų | 48 | 98.8 Ų | 98.8 | 32% | 0.324 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -5.8 | 172.8 | 65 | 0 | 0 | 0 | 0 | 115.1 | C1191 Q1195 H1218 | C1191-C1193 PolarHBondContact O-N 2.9Å; C1193-Q1195 PolarHBondContact O-N 3.29Å; C1193-H1218 VanDerWaalsContact SG-CE1 3.58Å; C1193-H1218 PolarHBondContact SG-ND1 2.94Å; C1193-H1218 VanDerWaalsContact SG-ND1 3.38Å |
| 1194 | K | 62.1 | Low | 49.2 | Very low | 176 Ų | 176 | 96 Ų | 96 | 77% | 0.765 | 56% | 0.56 | S | S | * | * | trans | 59.7 | 5.1 | -177.7 | -56.7 | -176.1 | -178.6 | 178.6 | 0 | 116.4 | C1191 I1192 | C1191-K1194 PolarHBondContact O-N 3.39Å; I1192-K1194 PolarHBondContact O-N 2.85Å | ||
| 1195 | Q | 58.3 | Low | 50.3 | Low | 134 Ų | 134 | 100.5 Ų | 100.5 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | trans | -72.5 | 131.1 | 171.2 | -69.6 | 175.2 | -41.4 | 0 | 0 | 110.4 | I1190 C1193 C1197 | I1190-Q1195 WeakPolarHBondContact CG2-O 3.31Å; C1193-Q1195 PolarHBondContact O-N 3.29Å; Q1195-C1197 PolarHBondContact O-N 3.46Å | ||
| 1196 | A | 52.4 | Low | 52 | Low | 85 Ų | 85 | 96.5 Ų | 96.5 | 70% | 0.702 | 55% | 0.553 | S | S | * | * | trans | -67 | 114 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | G1198 | A1196-G1198 PolarHBondContact O-N 2.86Š| ||
| 1197 | C | 50.5 | Low | 53.6 | Low | 33 Ų | 33 | 93.3 Ų | 93.3 | 22% | 0.223 | 53% | 0.528 | C | S | . | . | trans | -69.2 | 97.9 | 171.7 | -54 | 0 | 0 | 0 | 0 | 108.9 | Q1195 | Q1195-C1197 PolarHBondContact O-N 3.46Š| ||
| 1198 | G | 45.7 | Very low | 55 | Low | 41 Ų | 41 | 91.9 Ų | 91.9 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | trans | -58.9 | 157.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1196 E1200 L1201 | A1196-G1198 PolarHBondContact O-N 2.86Å; G1198-E1200 PolarHBondContact O-N 2.69Å; G1198-L1201 PolarHBondContact O-N 3.16Å | ||
| 1199 | S | 45.2 | Very low | 56.1 | Low | 112 Ų | 112 | 87.5 Ų | 87.5 | 78% | 0.783 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -58.3 | -19.9 | -173.8 | 35.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1200 | E | 48.8 | Very low | 57 | Low | 180 Ų | 180 | 81 Ų | 81 | 84% | 0.841 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -87 | -14.8 | -175.5 | -63.9 | 169.7 | 174.9 | 0 | 0 | 113.5 | G1198 F1202 | G1198-E1200 PolarHBondContact O-N 2.69Å; E1200-F1202 VanDerWaalsContact C-N 3.31Å; E1200-F1202 PolarHBondContact O-N 3.12Å |
| 1201 | L | 42.8 | Very low | 57 | Low | 76 Ų | 76 | 80.7 Ų | 80.7 | 40% | 0.398 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -79.5 | -3.9 | -176.1 | -86.1 | 165.4 | 0 | 0 | 0 | 115.2 | G1198 A1203 L1207 | G1198-L1201 PolarHBondContact O-N 3.16Å; L1201-A1203 PolarHBondContact O-N 2.87Å; L1201-L1207 HydrophobicContact CB-CD1 4.21Å; L1201-L1207 WeakPolarHBondContact O-CD1 3.5Å |
| 1202 | F | 45.2 | Very low | 56.3 | Low | 107 Ų | 107 | 81.3 Ų | 81.3 | 47% | 0.469 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -70.7 | 3.9 | 176.4 | -81.1 | -83.2 | 0 | 0 | 0 | 114.3 | E1200 I1209 | E1200-F1202 VanDerWaalsContact C-N 3.31Å; E1200-F1202 PolarHBondContact O-N 3.12Å; F1202-I1209 HydrophobicContact CE1-CD1 4.43Å |
| 1203 | A | 46.9 | Very low | 56.2 | Low | 97 Ų | 97 | 80 Ų | 80 | 80% | 0.802 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -114.2 | 12.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1201 | L1201-A1203 PolarHBondContact O-N 2.87Š|
| 1204 | S | 51.2 | Low | 55.8 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 34% | 0.343 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -122.1 | 143.3 | 174.8 | 71.2 | 0 | 0 | 0 | 0 | 113.1 | Q1206 | S1204-Q1206 PolarHBondContact O-N 2.82Š|
| 1205 | D | 53 | Low | 56 | Low | 159 Ų | 159 | 74 Ų | 74 | 85% | 0.85 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 9.2 | -174.4 | -58.9 | -56.7 | 0 | 0 | 0 | 114.7 | I1219 | D1205-I1219 WeakPolarHBondContact O-CD1 3.24Š|
| 1206 | Q | 64.9 | Low | 56.5 | Low | 126 Ų | 126 | 68.7 Ų | 68.7 | 59% | 0.589 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.8 | 179.4 | -66.1 | -165.7 | -23.1 | 0 | 0 | 113.9 | S1204 H1218 I1219 | S1204-Q1206 PolarHBondContact O-N 2.82Å; Q1206-H1218 CarbonylContact O-C 3.55Å; Q1206-H1218 WeakPolarHBondContact O-CA 3.11Å; Q1206-I1219 PolarHBondContact O-N 3.36Å |
| 1207 | L | 66.4 | Low | 57.3 | Low | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.3 | 172.8 | -78.7 | 179.4 | 0 | 0 | 0 | 112.4 | L1201 P1216 H1218 | L1201-L1207 HydrophobicContact CB-CD1 4.21Å; L1201-L1207 WeakPolarHBondContact O-CD1 3.5Å; L1207-P1216 HydrophobicContact CD2-CB 4.25Å; L1207-H1218 WeakPolarHBondContact CD2-CD2 3.43Å |
| 1208 | V | 68.8 | Low | 58.6 | Low | 43 Ų | 43 | 65 Ų | 65 | 26% | 0.261 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.7 | 170.9 | 147.8 | 0 | 0 | 0 | 0 | 109.1 | Y1217 I1219 I1222 F1237 | V1208-Y1217 PolarHBondContact N-O 3.26Å; V1208-Y1217 PolarHBondContact O-N 3.35Å; V1208-Y1217 VanDerWaalsContact O-O 3.1Å; V1208-I1219 HydrophobicContact CB-CG1 4.05Å; V1208-I1219 HydrophobicContact CG2-CD1 3.93Å; V1208-I1219 HydrophobicContact CG2-CG1 3.73Å; V1208-I1222 HydrophobicContact CB-CD1 3.92Å; V1208-I1222 HydrophobicContact CG1-CD1 3.57Å; V1208-F1237 HydrophobicContact CG1-CB 3.51Å; V1208-F1237 HydrophobicContact CG1-CD1 3.17Å; V1208-F1237 HydrophobicContact CG1-CD2 4.01Å; V1208-F1237 HydrophobicContact CG1-CE1 3.81Å; V1208-F1237 HydrophobicContact CG1-CG 3.26Å; V1208-F1237 HydrophobicContact CG1-CZ 4.46Å |
| 1209 | I | 67.6 | Low | 59.9 | Low | 83 Ų | 83 | 66.1 Ų | 66.1 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131 | -175.5 | -63.1 | 172.1 | 0 | 0 | 0 | 109.5 | F1202 W1211 L1214 | F1202-I1209 HydrophobicContact CE1-CD1 4.43Å; I1209-W1211 PolarHBondContact O-N 3.4Å; I1209-L1214 HydrophobicContact CG2-CB 4.5Å; I1209-L1214 HydrophobicContact CG2-CD2 4.36Å |
| 1210 | C | 68.5 | Low | 61.1 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -66.3 | 119.3 | 173.2 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | L1212 C1213 L1214 A1215 Y1217 F1237 C1239 | C1210-L1212 VanDerWaalsContact C-N 3.27Å; C1210-L1212 PolarHBondContact O-N 3.47Å; C1210-C1213 PolarHBondContact O-N 3.28Å; C1210-C1213 VanDerWaalsContact SG-SG 3.6Å; C1210-L1214 WeakPolarHBondContact O-CA 3.37Å; C1210-L1214 PolarHBondContact O-N 3.19Å; C1210-A1215 PolarHBondContact N-O 2.85Å; C1210-Y1217 HydrophobicContact CB-CD2 4.12Å; C1210-Y1217 HydrophobicContact CB-CE2 3.73Å; C1210-F1237 HydrophobicContact CB-CD1 4.31Å; C1210-F1237 HydrophobicContact CB-CE1 4.06Å; C1210-C1239 HydrophobicContact CB-CB 3.84Å; C1210-C1239 PolarHBondContact SG-N 3.43Å | ||
| 1211 | W | 58.2 | Low | 62.2 | Low | 58 Ų | 58 | 57.5 Ų | 57.5 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -25.1 | -175.4 | -177.7 | 94.7 | 0 | 0 | 0 | 114.2 | I1209 I1236 F1237 L1238 S1279 K1283 | I1209-W1211 PolarHBondContact O-N 3.4Å; W1211-I1236 HydrophobicContact CB-CG2 3.32Å; W1211-I1236 HydrophobicContact CD2-CG2 3.98Å; W1211-I1236 HydrophobicContact CG-CG2 3.42Å; W1211-I1236 VanDerWaalsContact CG-CG2 3.42Å; W1211-F1237 PolarHBondContact N-O 3.49Å; W1211-L1238 HydrophobicContact CB-CD2 4.12Å; W1211-L1238 HydrophobicContact CE3-CD2 4.2Å; W1211-S1279 WeakPolarHBondContact CZ3-O 3.36Å; W1211-K1283 HydrophobicContact CH2-CD 4.18Å; W1211-K1283 VanDerWaalsContact CH2-NZ 3.32Å; W1211-K1283 HydrophobicContact CZ3-CD 3.83Å |
| 1212 | L | 51.5 | Low | 63.2 | Low | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -40.9 | 176.8 | -84.4 | 170.8 | 0 | 0 | 0 | 114.4 | C1210 L1238 C1242 K1276 Y1280 | C1210-L1212 VanDerWaalsContact C-N 3.27Å; C1210-L1212 PolarHBondContact O-N 3.47Å; L1212-L1238 HydrophobicContact CB-CD2 4.09Å; L1212-L1238 HydrophobicContact CD1-CD1 4.12Å; L1212-L1238 HydrophobicContact CD1-CD2 3.8Å; L1212-L1238 HydrophobicContact CG-CD2 3.74Å; L1212-C1242 HydrophobicContact CB-CB 3.8Å; L1212-C1242 HydrophobicContact CD1-CB 3.97Å; L1212-K1276 WeakPolarHBondContact O-CE 3.43Å; L1212-K1276 WeakPolarHBondContact O-CG 3.21Å; L1212-Y1280 HydrophobicContact CD1-CD2 3.9Å |
| 1213 | C | 62.7 | Low | 64.1 | Low | 26 Ų | 26 | 54.9 Ų | 54.9 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -4.1 | -177.5 | 68.8 | 0 | 0 | 0 | 0 | 115.6 | C1210 A1215 C1239 C1242 | C1210-C1213 PolarHBondContact O-N 3.28Å; C1210-C1213 VanDerWaalsContact SG-SG 3.6Å; C1213-A1215 PolarHBondContact O-N 3.36Å; C1213-C1239 VanDerWaalsContact SG-SG 3.68Å; C1213-C1242 WeakPolarHBondContact CB-SG 3.34Å |
| 1214 | L | 60.5 | Low | 64.8 | Low | 93 Ų | 93 | 58.3 Ų | 58.3 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | trans | 56.7 | 9.9 | -176.7 | -54.5 | -179.2 | 0 | 0 | 0 | 115.4 | I1209 C1210 | I1209-L1214 HydrophobicContact CG2-CB 4.5Å; I1209-L1214 HydrophobicContact CG2-CD2 4.36Å; C1210-L1214 WeakPolarHBondContact O-CA 3.37Å; C1210-L1214 PolarHBondContact O-N 3.19Å | ||
| 1215 | A | 67 | Low | 65.1 | Low | 6 Ų | 6 | 60.2 Ų | 60.2 | 5% | 0.05 | 31% | 0.31 | C | S | . | . | trans | -70.8 | 137.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1189 C1210 C1213 Y1217 | K1189-A1215 HydrophobicContact CB-CB 3.88Å; C1210-A1215 PolarHBondContact N-O 2.85Å; C1213-A1215 PolarHBondContact O-N 3.36Å; A1215-Y1217 HydrophobicContact CB-CE2 3.76Å; A1215-Y1217 WeakPolarHBondContact O-CD2 3.24Å; A1215-Y1217 VanDerWaalsContact O-CE2 3.23Å; A1215-Y1217 WeakPolarHBondContact O-CE2 3.28Å | ||
| 1216 | P | 69.6 | Low | 65 | Low | 22 Ų | 22 | 61 Ų | 61 | 14% | 0.143 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 144.3 | 177 | 33.3 | -34.4 | 0 | 0 | 0 | 111.8 | L1207 | L1207-P1216 HydrophobicContact CD2-CB 4.25Å |
| 1217 | Y | 69.2 | Low | 64.2 | Low | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.7 | 178.6 | -65.9 | -86.8 | 0 | 0 | 0 | 109.8 | I1192 V1208 C1210 A1215 F1237 C1239 | I1192-Y1217 HydrophobicContact CD1-CD1 4.17Å; I1192-Y1217 HydrophobicContact CD1-CE1 4.05Å; I1192-Y1217 HydrophobicContact CG1-CD1 3.75Å; I1192-Y1217 HydrophobicContact CG1-CE1 3.55Å; V1208-Y1217 PolarHBondContact N-O 3.26Å; V1208-Y1217 PolarHBondContact O-N 3.35Å; V1208-Y1217 VanDerWaalsContact O-O 3.1Å; C1210-Y1217 HydrophobicContact CB-CD2 4.12Å; C1210-Y1217 HydrophobicContact CB-CE2 3.73Å; A1215-Y1217 HydrophobicContact CB-CE2 3.76Å; A1215-Y1217 WeakPolarHBondContact O-CD2 3.24Å; A1215-Y1217 VanDerWaalsContact O-CE2 3.23Å; A1215-Y1217 WeakPolarHBondContact O-CE2 3.28Å; Y1217-F1237 AromaticContact CD2-CE1 3.77Å; Y1217-F1237 HydrophobicContact CD2-CE1 3.77Å; Y1217-F1237 HydrophobicContact CD2-CZ 4.34Å; Y1217-F1237 HydrophobicContact CE2-CE1 4.48Å; Y1217-F1237 HydrophobicContact CG-CE1 4.19Å; Y1217-F1237 HydrophobicContact CG-CZ 4.4Å; Y1217-C1239 HydrophobicContact CD2-CB 3.89Å; Y1217-C1239 HydrophobicContact CE1-CB 4.02Å; Y1217-C1239 HydrophobicContact CE2-CB 3.3Å; Y1217-C1239 HydrophobicContact CG-CB 4.46Å; Y1217-C1239 PolarHBondContact OH-SG 3.1Å |
| 1218 | H | 77.8 | Confident | 63.1 | Low | 38 Ų | 38 | 61.4 Ų | 61.4 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 137.2 | 171.1 | -50.2 | 122.8 | 0 | 0 | 0 | 109.1 | C1191 C1193 Q1206 L1207 D1220 C1221 I1222 | C1191-H1218 PolarHBondContact SG-N 3.36Å; C1191-H1218 PolarHBondContact SG-ND1 3.27Å; C1191-H1218 VanDerWaalsContact SG-ND1 3.38Å; C1193-H1218 VanDerWaalsContact SG-CE1 3.58Å; C1193-H1218 PolarHBondContact SG-ND1 2.94Å; C1193-H1218 VanDerWaalsContact SG-ND1 3.38Å; Q1206-H1218 CarbonylContact O-C 3.55Å; Q1206-H1218 WeakPolarHBondContact O-CA 3.11Å; L1207-H1218 WeakPolarHBondContact CD2-CD2 3.43Å; H1218-D1220 VanDerWaalsContact C-N 3.29Å; H1218-D1220 PolarHBondContact O-N 3.27Å; H1218-C1221 HydrophobicContact CB-CB 4.16Å; H1218-C1221 WeakPolarHBondContact O-CA 3.4Å; H1218-C1221 WeakPolarHBondContact O-CB 3.41Å; H1218-C1221 PolarHBondContact O-N 2.89Å; H1218-I1222 PolarHBondContact O-N 2.93Å |
| 1219 | I | 73 | Confident | 61.9 | Low | 63 Ų | 63 | 63.9 Ų | 63.9 | 32% | 0.323 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55.8 | -45.3 | -179.9 | -67.2 | 176.8 | 0 | 0 | 0 | 110.7 | D1205 Q1206 V1208 C1221 I1222 V1223 | D1205-I1219 WeakPolarHBondContact O-CD1 3.24Å; Q1206-I1219 PolarHBondContact O-N 3.36Å; V1208-I1219 HydrophobicContact CB-CG1 4.05Å; V1208-I1219 HydrophobicContact CG2-CD1 3.93Å; V1208-I1219 HydrophobicContact CG2-CG1 3.73Å; I1219-C1221 PolarHBondContact O-N 3.1Å; I1219-I1222 WeakPolarHBondContact O-CA 3.43Å; I1219-I1222 WeakPolarHBondContact O-CB 3.42Å; I1219-I1222 PolarHBondContact O-N 3.31Å; I1219-V1223 HydrophobicContact CG2-CG2 4.25Å; I1219-V1223 WeakPolarHBondContact O-CG2 3.41Å; I1219-V1223 PolarHBondContact O-N 3.05Å |
| 1220 | D | 70 | Confident | 60.8 | Low | 87 Ų | 87 | 62.6 Ų | 62.6 | 47% | 0.465 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.2 | -32.5 | 174.9 | -67.4 | -3.1 | 0 | 0 | 0 | 113.9 | H1218 I1222 K1224 | H1218-D1220 VanDerWaalsContact C-N 3.29Å; H1218-D1220 PolarHBondContact O-N 3.27Å; D1220-I1222 VanDerWaalsContact C-N 3.31Å; D1220-K1224 VanDerWaalsContact O-CB 3.27Å; D1220-K1224 WeakPolarHBondContact O-CB 3.37Å; D1220-K1224 WeakPolarHBondContact O-CD 3.28Å; D1220-K1224 WeakPolarHBondContact O-CG 3.48Å; D1220-K1224 PolarHBondContact O-N 2.93Å |
| 1221 | C | 71.4 | Confident | 59.8 | Low | 24 Ų | 24 | 67.9 Ų | 67.9 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -77.2 | -18.9 | 178 | -65.7 | 0 | 0 | 0 | 0 | 112.5 | H1218 I1219 | H1218-C1221 HydrophobicContact CB-CB 4.16Å; H1218-C1221 WeakPolarHBondContact O-CA 3.4Å; H1218-C1221 WeakPolarHBondContact O-CB 3.41Å; H1218-C1221 PolarHBondContact O-N 2.89Å; I1219-C1221 PolarHBondContact O-N 3.1Å |
| 1222 | I | 64.6 | Low | 59.3 | Low | 24 Ų | 24 | 68.1 Ų | 68.1 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -82.3 | -49.9 | 171.6 | -61.3 | 162.1 | 0 | 0 | 0 | 109.2 | V1208 H1218 I1219 D1220 K1224 M1225 F1237 | V1208-I1222 HydrophobicContact CB-CD1 3.92Å; V1208-I1222 HydrophobicContact CG1-CD1 3.57Å; H1218-I1222 PolarHBondContact O-N 2.93Å; I1219-I1222 WeakPolarHBondContact O-CA 3.43Å; I1219-I1222 WeakPolarHBondContact O-CB 3.42Å; I1219-I1222 PolarHBondContact O-N 3.31Å; D1220-I1222 VanDerWaalsContact C-N 3.31Å; I1222-K1224 VanDerWaalsContact C-N 3.32Å; I1222-K1224 PolarHBondContact O-N 3.46Å; I1222-M1225 PolarHBondContact O-N 2.99Å; I1222-F1237 HydrophobicContact CB-CE2 4.33Å; I1222-F1237 HydrophobicContact CD1-CD1 4.37Å; I1222-F1237 HydrophobicContact CD1-CD2 4Å; I1222-F1237 HydrophobicContact CD1-CE1 3.88Å; I1222-F1237 HydrophobicContact CD1-CE2 3.49Å; I1222-F1237 VanDerWaalsContact CD1-CE2 3.49Å; I1222-F1237 HydrophobicContact CD1-CG 4.41Å; I1222-F1237 HydrophobicContact CD1-CZ 3.4Å; I1222-F1237 VanDerWaalsContact CD1-CZ 3.4Å; I1222-F1237 HydrophobicContact CG1-CE1 4.49Å; I1222-F1237 HydrophobicContact CG1-CE2 3.73Å; I1222-F1237 HydrophobicContact CG1-CZ 3.62Å; I1222-F1237 HydrophobicContact CG2-CD2 4.3Å; I1222-F1237 HydrophobicContact CG2-CE2 3.62Å; I1222-F1237 HydrophobicContact CG2-CZ 4.36Å |
| 1223 | V | 63.9 | Low | 58.8 | Low | 104 Ų | 104 | 77.1 Ų | 77.1 | 63% | 0.63 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -57.8 | -43.6 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | I1219 M1225 Q1226 | I1219-V1223 HydrophobicContact CG2-CG2 4.25Å; I1219-V1223 WeakPolarHBondContact O-CG2 3.41Å; I1219-V1223 PolarHBondContact O-N 3.05Å; V1223-M1225 PolarHBondContact O-N 3.49Å; V1223-M1225 VanDerWaalsContact O-N 3.13Å; V1223-Q1226 PolarHBondContact O-N 3.35Å |
| 1224 | K | 61.6 | Low | 57.8 | Low | 169 Ų | 169 | 81 Ų | 81 | 74% | 0.735 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.3 | 177.9 | -75.3 | 170.7 | -179.1 | 168.9 | 0 | 115.1 | D1220 I1222 | D1220-K1224 VanDerWaalsContact O-CB 3.27Å; D1220-K1224 WeakPolarHBondContact O-CB 3.37Å; D1220-K1224 WeakPolarHBondContact O-CD 3.28Å; D1220-K1224 WeakPolarHBondContact O-CG 3.48Å; D1220-K1224 PolarHBondContact O-N 2.93Å; I1222-K1224 VanDerWaalsContact C-N 3.32Å; I1222-K1224 PolarHBondContact O-N 3.46Å |
| 1225 | M | 57.3 | Low | 57.3 | Low | 90 Ų | 90 | 79 Ų | 79 | 44% | 0.443 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 7.1 | 177.8 | -80 | -153.8 | 71 | 0 | 0 | 114.6 | I1192 I1222 V1223 C1227 P1240 | I1192-M1225 HydrophobicContact CD1-SD 3.35Å; I1192-M1225 WeakPolarHBondContact CD1-SD 3.31Å; I1192-M1225 HydrophobicContact CG2-SD 4.24Å; I1222-M1225 PolarHBondContact O-N 2.99Å; V1223-M1225 PolarHBondContact O-N 3.49Å; V1223-M1225 VanDerWaalsContact O-N 3.13Å; M1225-C1227 PolarHBondContact O-N 3.26Å; M1225-P1240 HydrophobicContact CE-CG 4.32Å; M1225-P1240 HydrophobicContact SD-CG 3.94Å |
| 1226 | Q | 50.4 | Low | 56.7 | Low | 176 Ų | 176 | 80.1 Ų | 80.1 | 82% | 0.822 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 24.9 | -174.9 | -65 | -176.1 | -27.5 | 0 | 0 | 113.7 | V1223 S1228 | V1223-Q1226 PolarHBondContact O-N 3.35Å; Q1226-S1228 PolarHBondContact O-N 3.18Å |
| 1227 | C | 48.6 | Very low | 56.4 | Low | 44 Ų | 44 | 80.5 Ų | 80.5 | 30% | 0.297 | 45% | 0.453 | S | S | . | . | trans | -78 | 66.6 | 167.9 | -70.5 | 0 | 0 | 0 | 0 | 109.2 | M1225 S1229 | M1225-C1227 PolarHBondContact O-N 3.26Å; C1227-S1229 PolarHBondContact O-N 3.3Å | ||
| 1228 | S | 42.4 | Very low | 56.1 | Low | 120 Ų | 120 | 82.6 Ų | 82.6 | 84% | 0.839 | 46% | 0.464 | S | S | * | . | trans | -69.9 | -3.8 | -179.4 | 46.3 | 0 | 0 | 0 | 0 | 114 | Q1226 G1230 | Q1226-S1228 PolarHBondContact O-N 3.18Å; S1228-G1230 PolarHBondContact O-N 2.9Å | ||
| 1229 | S | 44.6 | Very low | 55.8 | Low | 95 Ų | 95 | 80.8 Ų | 80.8 | 66% | 0.664 | 46% | 0.456 | S | S | * | . | trans | -70.3 | 59.5 | 156.6 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | C1227 L1231 | C1227-S1229 PolarHBondContact O-N 3.3Å; S1229-L1231 PolarHBondContact O-N 3.1Å | ||
| 1230 | G | 43.4 | Very low | 55.2 | Low | 57 Ų | 57 | 79.1 Ų | 79.1 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | trans | -77.9 | 110 | -180 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1228 | S1228-G1230 PolarHBondContact O-N 2.9Š| ||
| 1231 | L | 48.8 | Very low | 54.7 | Low | 110 Ų | 110 | 81.3 Ų | 81.3 | 58% | 0.576 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 67.3 | 139.2 | -164.8 | -48.1 | 168.9 | 0 | 0 | 0 | 112 | S1229 | S1229-L1231 PolarHBondContact O-N 3.1Š|
| 1232 | N | 47.3 | Very low | 54.2 | Low | 64 Ų | 64 | 81.3 Ų | 81.3 | 34% | 0.342 | 45% | 0.452 | S | S | . | . | trans | -77 | 173.9 | 157.8 | 74 | -23.1 | 0 | 0 | 0 | 109.8 | L1234 G1235 I1236 | N1232-L1234 PolarHBondContact O-N 2.99Å; N1232-L1234 PolarHBondContact OD1-N 2.9Å; N1232-G1235 PolarHBondContact O-N 3.01Å; N1232-G1235 PolarHBondContact OD1-N 3.02Å; N1232-I1236 PolarHBondContact N-O 3.12Å; N1232-I1236 WeakPolarHBondContact OD1-CB 3.49Å; N1232-I1236 PolarHBondContact OD1-N 2.67Å; N1232-I1236 PolarHBondContact OD1-O 2.66Å | ||
| 1233 | E | 40.6 | Very low | 54 | Low | 204 Ų | 204 | 83.6 Ų | 83.6 | 95% | 0.953 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -10.5 | 179.2 | -60.1 | 175 | 158.1 | 0 | 0 | 114.8 | ||
| 1234 | L | 41.1 | Very low | 53 | Low | 108 Ų | 108 | 88.9 Ų | 88.9 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 10.1 | 178.7 | -58.8 | 174.1 | 0 | 0 | 0 | 113.4 | N1232 I1236 | N1232-L1234 PolarHBondContact O-N 2.99Å; N1232-L1234 PolarHBondContact OD1-N 2.9Å; L1234-I1236 HydrophobicContact CB-CD1 4.44Å |
| 1235 | G | 50.1 | Low | 52.2 | Low | 50 Ų | 50 | 85.1 Ų | 85.1 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | S | Bend | trans | 73.8 | 29.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1232 | N1232-G1235 PolarHBondContact O-N 3.01Å; N1232-G1235 PolarHBondContact OD1-N 3.02Å |
| 1236 | I | 54.3 | Low | 51.5 | Low | 30 Ų | 30 | 87 Ų | 87 | 15% | 0.154 | 49% | 0.486 | C | S | . | . | trans | -118.2 | 133.4 | -174.2 | -55.9 | 176 | 0 | 0 | 0 | 111.7 | W1211 N1232 L1234 | W1211-I1236 HydrophobicContact CB-CG2 3.32Å; W1211-I1236 HydrophobicContact CD2-CG2 3.98Å; W1211-I1236 HydrophobicContact CG-CG2 3.42Å; W1211-I1236 VanDerWaalsContact CG-CG2 3.42Å; N1232-I1236 PolarHBondContact N-O 3.12Å; N1232-I1236 WeakPolarHBondContact OD1-CB 3.49Å; N1232-I1236 PolarHBondContact OD1-N 2.67Å; N1232-I1236 PolarHBondContact OD1-O 2.66Å; L1234-I1236 HydrophobicContact CB-CD1 4.44Å | ||
| 1237 | F | 65 | Low | 51.1 | Low | 30 Ų | 30 | 86.3 Ų | 86.3 | 13% | 0.132 | 48% | 0.476 | C | S | . | . | trans | -89.7 | 136 | 171.6 | 170.8 | -102.4 | 0 | 0 | 0 | 113.3 | V1208 C1210 W1211 Y1217 I1222 C1239 | V1208-F1237 HydrophobicContact CG1-CB 3.51Å; V1208-F1237 HydrophobicContact CG1-CD1 3.17Å; V1208-F1237 HydrophobicContact CG1-CD2 4.01Å; V1208-F1237 HydrophobicContact CG1-CE1 3.81Å; V1208-F1237 HydrophobicContact CG1-CG 3.26Å; V1208-F1237 HydrophobicContact CG1-CZ 4.46Å; C1210-F1237 HydrophobicContact CB-CD1 4.31Å; C1210-F1237 HydrophobicContact CB-CE1 4.06Å; W1211-F1237 PolarHBondContact N-O 3.49Å; Y1217-F1237 AromaticContact CD2-CE1 3.77Å; Y1217-F1237 HydrophobicContact CD2-CE1 3.77Å; Y1217-F1237 HydrophobicContact CD2-CZ 4.34Å; Y1217-F1237 HydrophobicContact CE2-CE1 4.48Å; Y1217-F1237 HydrophobicContact CG-CE1 4.19Å; Y1217-F1237 HydrophobicContact CG-CZ 4.4Å; I1222-F1237 HydrophobicContact CB-CE2 4.33Å; I1222-F1237 HydrophobicContact CD1-CD1 4.37Å; I1222-F1237 HydrophobicContact CD1-CD2 4Å; I1222-F1237 HydrophobicContact CD1-CE1 3.88Å; I1222-F1237 HydrophobicContact CD1-CE2 3.49Å; I1222-F1237 VanDerWaalsContact CD1-CE2 3.49Å; I1222-F1237 HydrophobicContact CD1-CG 4.41Å; I1222-F1237 HydrophobicContact CD1-CZ 3.4Å; I1222-F1237 VanDerWaalsContact CD1-CZ 3.4Å; I1222-F1237 HydrophobicContact CG1-CE1 4.49Å; I1222-F1237 HydrophobicContact CG1-CE2 3.73Å; I1222-F1237 HydrophobicContact CG1-CZ 3.62Å; I1222-F1237 HydrophobicContact CG2-CD2 4.3Å; I1222-F1237 HydrophobicContact CG2-CE2 3.62Å; I1222-F1237 HydrophobicContact CG2-CZ 4.36Å; F1237-C1239 HydrophobicContact CE1-CB 3.89Å; F1237-C1239 VanDerWaalsContact CZ-CA 3.47Å; F1237-C1239 HydrophobicContact CZ-CB 3.82Å | ||
| 1238 | L | 61.2 | Low | 50.8 | Low | 47 Ų | 47 | 85.9 Ų | 85.9 | 25% | 0.246 | 47% | 0.473 | C | S | . | . | trans | -122.3 | 132.3 | 167.9 | -60.2 | -179.3 | 0 | 0 | 0 | 109.3 | W1211 L1212 | W1211-L1238 HydrophobicContact CB-CD2 4.12Å; W1211-L1238 HydrophobicContact CE3-CD2 4.2Å; L1212-L1238 HydrophobicContact CB-CD2 4.09Å; L1212-L1238 HydrophobicContact CD1-CD1 4.12Å; L1212-L1238 HydrophobicContact CD1-CD2 3.8Å; L1212-L1238 HydrophobicContact CG-CD2 3.74Å | ||
| 1239 | C | 72.3 | Confident | 51 | Low | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 46% | 0.457 | C | S | . | . | trans | -75.9 | 159.6 | 178.4 | 73.4 | 0 | 0 | 0 | 0 | 112 | C1210 C1213 Y1217 F1237 Y1241 C1242 C1243 | C1210-C1239 HydrophobicContact CB-CB 3.84Å; C1210-C1239 PolarHBondContact SG-N 3.43Å; C1213-C1239 VanDerWaalsContact SG-SG 3.68Å; Y1217-C1239 HydrophobicContact CD2-CB 3.89Å; Y1217-C1239 HydrophobicContact CE1-CB 4.02Å; Y1217-C1239 HydrophobicContact CE2-CB 3.3Å; Y1217-C1239 HydrophobicContact CG-CB 4.46Å; Y1217-C1239 PolarHBondContact OH-SG 3.1Å; F1237-C1239 HydrophobicContact CE1-CB 3.89Å; F1237-C1239 VanDerWaalsContact CZ-CA 3.47Å; F1237-C1239 HydrophobicContact CZ-CB 3.82Å; C1239-Y1241 PolarHBondContact O-N 3.18Å; C1239-C1242 CarbonylContact O-C 3.58Å; C1239-C1242 PolarHBondContact O-N 3.29Å; C1239-C1243 WeakPolarHBondContact O-CB 3.13Å; C1239-C1243 PolarHBondContact O-N 2.94Å | ||
| 1240 | P | 60.2 | Low | 51 | Low | 28 Ų | 28 | 86.3 Ų | 86.3 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -51.8 | -36.2 | -176.2 | -30.7 | 36.7 | 0 | 0 | 0 | 114.7 | I1192 M1225 C1243 R1244 | I1192-P1240 HydrophobicContact CD1-CG 4.07Å; M1225-P1240 HydrophobicContact CE-CG 4.32Å; M1225-P1240 HydrophobicContact SD-CG 3.94Å; P1240-C1243 PolarHBondContact O-N 3.48Å; P1240-R1244 WeakPolarHBondContact O-CB 3.48Å; P1240-R1244 PolarHBondContact O-N 3.25Å; P1240-R1244 VanDerWaalsContact O-N 3.11Å |
| 1241 | Y | 60.4 | Low | 51.2 | Low | 133 Ų | 133 | 86.7 Ų | 86.7 | 52% | 0.522 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -48.9 | 175 | -61 | -79.5 | 0 | 0 | 0 | 112.1 | C1239 C1243 R1244 T1245 | C1239-Y1241 PolarHBondContact O-N 3.18Å; Y1241-C1243 VanDerWaalsContact C-N 3.25Å; Y1241-C1243 PolarHBondContact O-N 2.92Å; Y1241-R1244 PolarHBondContact O-N 2.84Å; Y1241-T1245 PolarHBondContact O-N 2.85Å; Y1241-T1245 PolarHBondContact O-OG1 3.34Å |
| 1242 | C | 60.5 | Low | 51.1 | Low | 24 Ų | 24 | 86.3 Ų | 86.3 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -75.5 | -14.3 | 178.4 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | L1212 C1213 C1239 | L1212-C1242 HydrophobicContact CB-CB 3.8Å; L1212-C1242 HydrophobicContact CD1-CB 3.97Å; C1213-C1242 WeakPolarHBondContact CB-SG 3.34Å; C1239-C1242 CarbonylContact O-C 3.58Å; C1239-C1242 PolarHBondContact O-N 3.29Å |
| 1243 | C | 59.5 | Low | 51.2 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 49% | 0.493 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -88.1 | -17.1 | 175.8 | -161.2 | 0 | 0 | 0 | 0 | 112.6 | C1239 P1240 Y1241 | C1239-C1243 WeakPolarHBondContact O-CB 3.13Å; C1239-C1243 PolarHBondContact O-N 2.94Å; P1240-C1243 PolarHBondContact O-N 3.48Å; Y1241-C1243 VanDerWaalsContact C-N 3.25Å; Y1241-C1243 PolarHBondContact O-N 2.92Å |
| 1244 | R | 43.5 | Very low | 51.6 | Low | 215 Ų | 215 | 79.3 Ų | 79.3 | 81% | 0.811 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -133.6 | 3.8 | -169.8 | -66.6 | -168.6 | 174.7 | -174.1 | -0.3 | 117.7 | P1240 Y1241 | P1240-R1244 WeakPolarHBondContact O-CB 3.48Å; P1240-R1244 PolarHBondContact O-N 3.25Å; P1240-R1244 VanDerWaalsContact O-N 3.11Å; Y1241-R1244 PolarHBondContact O-N 2.84Å |
| 1245 | T | 45.7 | Very low | 52 | Low | 89 Ų | 89 | 83.3 Ų | 83.3 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | trans | -123.3 | 113.4 | -175.3 | 68 | 0 | 0 | 0 | 0 | 116.6 | Y1241 | Y1241-T1245 PolarHBondContact O-N 2.85Å; Y1241-T1245 PolarHBondContact O-OG1 3.34Å | ||
| 1246 | T | 42.4 | Very low | 51.8 | Low | 129 Ų | 129 | 86.7 Ų | 86.7 | 79% | 0.791 | 43% | 0.426 | S | S | * | . | trans | 57.8 | 106.5 | 138.4 | 60.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1247 | R | 42 | Very low | 51.4 | Low | 163 Ų | 163 | 92.6 Ų | 92.6 | 62% | 0.615 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 134.9 | 155.3 | -157.6 | -180 | -161.1 | -176.2 | 6.1 | 109.1 | D1288 C1291 | R1247-D1288 IonicContact NH2-OD2 3.83Å; R1247-D1288 PolarHBondContact NH2-OD2 3.4Å; R1247-C1291 PolarHBondContact NH2-SG 3.1Å |
| 1248 | P | 42 | Very low | 50.7 | Low | 35 Ų | 35 | 95 Ų | 95 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 139.3 | 171.8 | -21.5 | 32.9 | 0 | 0 | 0 | 110.3 | I1253 F1273 | P1248-I1253 HydrophobicContact CB-CG1 4.43Å; P1248-F1273 HydrophobicContact CB-CZ 4.24Å; P1248-F1273 HydrophobicContact CG-CZ 3.95Å |
| 1249 | T | 46.1 | Very low | 50 | Low | 82 Ų | 82 | 99 Ų | 99 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 150.4 | 174.1 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | A1251 Q1252 I1253 | T1249-A1251 PolarHBondContact O-N 3.13Å; T1249-Q1252 WeakPolarHBondContact O-CA 3.21Å; T1249-Q1252 WeakPolarHBondContact O-CB 3.48Å; T1249-Q1252 PolarHBondContact O-N 3.08Å; T1249-Q1252 WeakPolarHBondContact OG1-CG 3.35Å; T1249-Q1252 PolarHBondContact OG1-OE1 3.24Å; T1249-I1253 PolarHBondContact O-N 3.12Å |
| 1250 | E | 44.4 | Very low | 48.7 | Very low | 141 Ų | 141 | 105.5 Ų | 105.5 | 66% | 0.659 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -52.6 | -42.9 | 178.5 | -168.7 | 164.7 | -135.8 | 0 | 0 | 111.6 | Q1252 I1253 D1254 | E1250-Q1252 PolarHBondContact O-N 3.12Å; E1250-Q1252 VanDerWaalsContact O-N 3.17Å; E1250-I1253 PolarHBondContact O-N 3.23Å; E1250-D1254 PolarHBondContact O-N 2.87Å |
| 1251 | A | 47.9 | Very low | 48 | Very low | 65 Ų | 65 | 111.8 Ų | 111.8 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.3 | -18 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1249 R1255 | T1249-A1251 PolarHBondContact O-N 3.13Å; A1251-R1255 VanDerWaalsContact O-CB 3.28Å; A1251-R1255 WeakPolarHBondContact O-CB 3.12Å; A1251-R1255 VanDerWaalsContact O-CG 3.27Å; A1251-R1255 WeakPolarHBondContact O-CG 3.2Å; A1251-R1255 PolarHBondContact O-N 3.4Å |
| 1252 | Q | 47.2 | Very low | 46.9 | Very low | 102 Ų | 102 | 109.2 Ų | 109.2 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -80.7 | -42.1 | 169 | -70.7 | 171.5 | -46.2 | 0 | 0 | 111 | T1249 E1250 R1255 F1256 | T1249-Q1252 WeakPolarHBondContact O-CA 3.21Å; T1249-Q1252 WeakPolarHBondContact O-CB 3.48Å; T1249-Q1252 PolarHBondContact O-N 3.08Å; T1249-Q1252 WeakPolarHBondContact OG1-CG 3.35Å; T1249-Q1252 PolarHBondContact OG1-OE1 3.24Å; E1250-Q1252 PolarHBondContact O-N 3.12Å; E1250-Q1252 VanDerWaalsContact O-N 3.17Å; Q1252-R1255 PolarHBondContact O-N 2.86Å; Q1252-F1256 WeakPolarHBondContact O-CD2 3.49Å; Q1252-F1256 PolarHBondContact O-N 3.4Å |
| 1253 | I | 48.1 | Very low | 45.8 | Very low | 55 Ų | 55 | 111.4 Ų | 111.4 | 28% | 0.282 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.7 | -47 | 177.3 | -59.8 | 175.3 | 0 | 0 | 0 | 110 | P1248 T1249 E1250 R1255 F1256 R1257 | P1248-I1253 HydrophobicContact CB-CG1 4.43Å; T1249-I1253 PolarHBondContact O-N 3.12Å; E1250-I1253 PolarHBondContact O-N 3.23Å; I1253-R1255 PolarHBondContact O-N 2.9Å; I1253-F1256 PolarHBondContact O-N 2.9Å; I1253-F1256 VanDerWaalsContact O-N 3.07Å; I1253-R1257 PolarHBondContact O-N 3.4Å |
| 1254 | D | 49.3 | Very low | 44.8 | Very low | 67 Ų | 67 | 111.6 Ų | 111.6 | 36% | 0.358 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.4 | -29.7 | 178.2 | -73.4 | -32 | 0 | 0 | 0 | 113.5 | E1250 F1256 R1257 S1258 | E1250-D1254 PolarHBondContact O-N 2.87Å; D1254-F1256 PolarHBondContact O-N 3.1Å; D1254-R1257 PolarHBondContact O-N 2.9Å; D1254-R1257 WeakPolarHBondContact OD1-CD 3.11Å; D1254-R1257 IonicContact OD1-CZ 3.52Å; D1254-R1257 IonicContact OD1-NE 3.77Å; D1254-R1257 IonicContact OD1-NH1 2.69Å; D1254-R1257 PolarHBondContact OD1-NH1 3.33Å; D1254-S1258 PolarHBondContact O-N 3.34Å; D1254-S1258 PolarHBondContact O-OG 3.29Å |
| 1255 | R | 50.2 | Low | 44.5 | Very low | 192 Ų | 192 | 111.4 Ų | 111.4 | 73% | 0.725 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.4 | -19.4 | 169.9 | -89.2 | -178.3 | 166.8 | -173 | -1.6 | 114 | A1251 Q1252 I1253 S1258 | A1251-R1255 VanDerWaalsContact O-CB 3.28Å; A1251-R1255 WeakPolarHBondContact O-CB 3.12Å; A1251-R1255 VanDerWaalsContact O-CG 3.27Å; A1251-R1255 WeakPolarHBondContact O-CG 3.2Å; A1251-R1255 PolarHBondContact O-N 3.4Å; Q1252-R1255 PolarHBondContact O-N 2.86Å; I1253-R1255 PolarHBondContact O-N 2.9Å; R1255-S1258 PolarHBondContact O-OG 3.14Å |
| 1256 | F | 46 | Very low | 44.6 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 53% | 0.531 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -86.7 | -41 | 169.8 | -88.1 | -77.4 | 0 | 0 | 0 | 111.5 | Q1252 I1253 D1254 S1258 K1259 Q1260 | Q1252-F1256 WeakPolarHBondContact O-CD2 3.49Å; Q1252-F1256 PolarHBondContact O-N 3.4Å; I1253-F1256 PolarHBondContact O-N 2.9Å; I1253-F1256 VanDerWaalsContact O-N 3.07Å; D1254-F1256 PolarHBondContact O-N 3.1Å; F1256-S1258 VanDerWaalsContact C-N 3.32Å; F1256-S1258 PolarHBondContact O-N 3.44Å; F1256-K1259 PolarHBondContact O-N 2.86Å; F1256-Q1260 PolarHBondContact O-N 2.8Å |
| 1257 | R | 46 | Very low | 45 | Very low | 154 Ų | 154 | 109.4 Ų | 109.4 | 58% | 0.581 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -52.6 | -47.9 | 169.7 | -76.7 | 167.2 | 161.8 | 170.5 | -4.5 | 111.9 | I1253 D1254 K1259 Q1260 | I1253-R1257 PolarHBondContact O-N 3.4Å; D1254-R1257 PolarHBondContact O-N 2.9Å; D1254-R1257 WeakPolarHBondContact OD1-CD 3.11Å; D1254-R1257 IonicContact OD1-CZ 3.52Å; D1254-R1257 IonicContact OD1-NE 3.77Å; D1254-R1257 IonicContact OD1-NH1 2.69Å; D1254-R1257 PolarHBondContact OD1-NH1 3.33Å; R1257-K1259 PolarHBondContact O-N 2.65Å; R1257-K1259 VanDerWaalsContact O-N 3.11Å; R1257-Q1260 PolarHBondContact O-N 2.9Å; R1257-Q1260 VanDerWaalsContact O-N 3.11Å |
| 1258 | S | 49.5 | Very low | 45.3 | Very low | 80 Ų | 80 | 104.9 Ų | 104.9 | 56% | 0.559 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.8 | -16.2 | -179.6 | 69.6 | 0 | 0 | 0 | 0 | 114.5 | D1254 R1255 F1256 | D1254-S1258 PolarHBondContact O-N 3.34Å; D1254-S1258 PolarHBondContact O-OG 3.29Å; R1255-S1258 PolarHBondContact O-OG 3.14Å; F1256-S1258 VanDerWaalsContact C-N 3.32Å; F1256-S1258 PolarHBondContact O-N 3.44Å |
| 1259 | K | 46.8 | Very low | 45.8 | Very low | 130 Ų | 130 | 106.5 Ų | 106.5 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -94.2 | -16.2 | 174.8 | -75.8 | -174.1 | 172.3 | -172.2 | 0 | 114.7 | F1256 R1257 N1261 S1262 | F1256-K1259 PolarHBondContact O-N 2.86Å; R1257-K1259 PolarHBondContact O-N 2.65Å; R1257-K1259 VanDerWaalsContact O-N 3.11Å; K1259-N1261 VanDerWaalsContact C-N 3.3Å; K1259-S1262 CarbonylContact O-C 3.56Å; K1259-S1262 PolarHBondContact O-N 3.48Å; K1259-S1262 PolarHBondContact O-OG 3Å |
| 1260 | Q | 44.4 | Very low | 46.1 | Very low | 138 Ų | 138 | 105.7 Ų | 105.7 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.3 | -35.6 | 173.9 | -104.8 | -171.1 | -17.4 | 0 | 0 | 111.6 | F1256 R1257 S1262 G1263 | F1256-Q1260 PolarHBondContact O-N 2.8Å; R1257-Q1260 PolarHBondContact O-N 2.9Å; R1257-Q1260 VanDerWaalsContact O-N 3.11Å; Q1260-S1262 PolarHBondContact O-N 3.07Å; Q1260-G1263 PolarHBondContact O-N 3.19Å |
| 1261 | N | 45.5 | Very low | 46.5 | Very low | 160 Ų | 160 | 101.1 Ų | 101.1 | 86% | 0.856 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -0.6 | 171 | -71 | -9.3 | 0 | 0 | 0 | 113.9 | K1259 | K1259-N1261 VanDerWaalsContact C-N 3.3Š|
| 1262 | S | 38.8 | Very low | 46.7 | Very low | 79 Ų | 79 | 99.3 Ų | 99.3 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 37.1 | 179.2 | 69.9 | 0 | 0 | 0 | 0 | 113.9 | K1259 Q1260 A1264 | K1259-S1262 CarbonylContact O-C 3.56Å; K1259-S1262 PolarHBondContact O-N 3.48Å; K1259-S1262 PolarHBondContact O-OG 3Å; Q1260-S1262 PolarHBondContact O-N 3.07Å; S1262-A1264 PolarHBondContact O-N 3.03Å |
| 1263 | G | 37.1 | Very low | 47.2 | Very low | 69 Ų | 69 | 98.8 Ų | 98.8 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 29.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | Q1260 | Q1260-G1263 PolarHBondContact O-N 3.19Š|
| 1264 | A | 37.3 | Very low | 47.6 | Very low | 77 Ų | 77 | 96.4 Ų | 96.4 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | trans | -79.5 | 129.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1262 D1266 | S1262-A1264 PolarHBondContact O-N 3.03Å; A1264-D1266 PolarHBondContact O-N 3.45Å | ||
| 1265 | K | 37.7 | Very low | 47.9 | Very low | 211 Ų | 211 | 96.1 Ų | 96.1 | 92% | 0.917 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -83 | 59.1 | -170.6 | -59.9 | -172.7 | 176.7 | -172.4 | 0 | 115.4 | ||
| 1266 | D | 47.7 | Very low | 48 | Very low | 85 Ų | 85 | 90.7 Ų | 90.7 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | trans | -149.6 | 85.3 | 166.3 | -169.1 | -7.1 | 0 | 0 | 0 | 113.3 | A1264 L1268 T1269 | A1264-D1266 PolarHBondContact O-N 3.45Å; D1266-L1268 PolarHBondContact OD1-N 2.96Å; D1266-L1268 VanDerWaalsContact OD1-N 3.12Å; D1266-T1269 PolarHBondContact OD1-N 3.23Å; D1266-T1269 PolarHBondContact OD1-OG1 3.38Å; D1266-T1269 WeakPolarHBondContact OD2-CB 3.5Å; D1266-T1269 PolarHBondContact OD2-OG1 2.88Å | ||
| 1267 | P | 51.3 | Low | 48.7 | Very low | 92 Ų | 92 | 86.3 Ų | 86.3 | 60% | 0.597 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.7 | -35 | 171.4 | -18 | 32.3 | 0 | 0 | 0 | 112.7 | T1269 F1270 E1271 | P1267-T1269 PolarHBondContact O-N 2.97Å; P1267-F1270 WeakPolarHBondContact O-CB 3.37Å; P1267-F1270 PolarHBondContact O-N 2.94Å; P1267-E1271 PolarHBondContact O-N 2.83Å |
| 1268 | L | 49.1 | Very low | 49.2 | Very low | 68 Ų | 68 | 79.6 Ų | 79.6 | 36% | 0.356 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | -170.1 | -166.3 | 73.8 | 0 | 0 | 0 | 111.7 | W1170 Y1183 D1266 F1270 E1271 I1272 | W1170-L1268 HydrophobicContact CH2-CD1 4.21Å; Y1183-L1268 HydrophobicContact CE2-CD2 4.47Å; D1266-L1268 PolarHBondContact OD1-N 2.96Å; D1266-L1268 VanDerWaalsContact OD1-N 3.12Å; L1268-F1270 VanDerWaalsContact C-N 3.27Å; L1268-F1270 PolarHBondContact O-N 3.28Å; L1268-E1271 PolarHBondContact O-N 2.85Å; L1268-I1272 HydrophobicContact CD2-CD1 4.4Å; L1268-I1272 HydrophobicContact CG-CD1 3.95Å; L1268-I1272 VanDerWaalsContact O-CB 3.28Å; L1268-I1272 WeakPolarHBondContact O-CB 3.27Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.35Å; L1268-I1272 PolarHBondContact O-N 3.22Å |
| 1269 | T | 50.4 | Low | 49.3 | Very low | 68 Ų | 68 | 75.9 Ų | 75.9 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.7 | -31.9 | 173.4 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | D1266 P1267 F1273 | D1266-T1269 PolarHBondContact OD1-N 3.23Å; D1266-T1269 PolarHBondContact OD1-OG1 3.38Å; D1266-T1269 WeakPolarHBondContact OD2-CB 3.5Å; D1266-T1269 PolarHBondContact OD2-OG1 2.88Å; P1267-T1269 PolarHBondContact O-N 2.97Å; T1269-F1273 WeakPolarHBondContact O-CB 3.44Å; T1269-F1273 PolarHBondContact O-N 3.03Å |
| 1270 | F | 52.9 | Low | 49.6 | Very low | 65 Ų | 65 | 74.9 Ų | 74.9 | 29% | 0.285 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -74 | -44.8 | 176.7 | -179.7 | -121.9 | 0 | 0 | 0 | 111.8 | P1267 L1268 I1272 F1273 L1274 I1302 | P1267-F1270 WeakPolarHBondContact O-CB 3.37Å; P1267-F1270 PolarHBondContact O-N 2.94Å; L1268-F1270 VanDerWaalsContact C-N 3.27Å; L1268-F1270 PolarHBondContact O-N 3.28Å; F1270-I1272 PolarHBondContact O-N 2.89Å; F1270-F1273 WeakPolarHBondContact O-CB 3.29Å; F1270-F1273 PolarHBondContact O-N 2.87Å; F1270-F1273 VanDerWaalsContact O-N 3.14Å; F1270-L1274 PolarHBondContact O-N 2.81Å; F1270-I1302 HydrophobicContact CD1-CD1 4.24Å; F1270-I1302 HydrophobicContact CE1-CD1 3.44Å; F1270-I1302 VanDerWaalsContact CE1-CD1 3.44Å; F1270-I1302 HydrophobicContact CE1-CG1 4.34Å; F1270-I1302 HydrophobicContact CZ-CD1 4.01Å |
| 1271 | E | 53 | Low | 49.9 | Very low | 46 Ų | 46 | 69.5 Ų | 69.5 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 171.9 | -72 | 177 | -168.1 | 0 | 0 | 111.8 | P1267 L1268 F1273 L1274 F1275 I1302 F1306 | P1267-E1271 PolarHBondContact O-N 2.83Å; L1268-E1271 PolarHBondContact O-N 2.85Å; E1271-F1273 VanDerWaalsContact C-N 3.25Å; E1271-F1273 PolarHBondContact O-N 2.92Å; E1271-L1274 PolarHBondContact O-N 3.16Å; E1271-F1275 VanDerWaalsContact O-CB 3.29Å; E1271-F1275 WeakPolarHBondContact O-CB 3.32Å; E1271-F1275 PolarHBondContact O-N 2.82Å; E1271-I1302 HydrophobicContact CG-CG2 3.84Å; E1271-F1306 HydrophobicContact CB-CE2 4.4Å; E1271-F1306 HydrophobicContact CB-CZ 4.14Å; E1271-F1306 HydrophobicContact CG-CE2 4.29Å; E1271-F1306 HydrophobicContact CG-CZ 4.49Å |
| 1272 | I | 52.6 | Low | 50.2 | Low | 26 Ų | 26 | 62.9 Ų | 62.9 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.2 | -29.4 | 177.5 | -73.2 | 171.5 | 0 | 0 | 0 | 112 | W1170 Y1183 L1268 F1270 K1276 | W1170-I1272 HydrophobicContact CH2-CD1 4.23Å; W1170-I1272 HydrophobicContact CH2-CG1 3.59Å; W1170-I1272 HydrophobicContact CZ3-CD1 4.25Å; W1170-I1272 HydrophobicContact CZ3-CG1 3.89Å; Y1183-I1272 VanDerWaalsContact OH-CD1 3.31Å; Y1183-I1272 WeakPolarHBondContact OH-CD1 3.32Å; L1268-I1272 HydrophobicContact CD2-CD1 4.4Å; L1268-I1272 HydrophobicContact CG-CD1 3.95Å; L1268-I1272 VanDerWaalsContact O-CB 3.28Å; L1268-I1272 WeakPolarHBondContact O-CB 3.27Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.35Å; L1268-I1272 PolarHBondContact O-N 3.22Å; F1270-I1272 PolarHBondContact O-N 2.89Å; I1272-K1276 HydrophobicContact CG2-CD 4.48Å; I1272-K1276 VanDerWaalsContact O-CD 3.24Å; I1272-K1276 WeakPolarHBondContact O-CD 3.28Å; I1272-K1276 VanDerWaalsContact O-CG 3.26Å; I1272-K1276 WeakPolarHBondContact O-CG 3.33Å |
| 1273 | F | 56.8 | Low | 50.5 | Low | 91 Ų | 91 | 62.1 Ų | 62.1 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74 | -47 | 174.4 | -177.7 | -93.8 | 0 | 0 | 0 | 111.3 | P1248 T1269 F1270 E1271 K1276 H1277 | P1248-F1273 HydrophobicContact CB-CZ 4.24Å; P1248-F1273 HydrophobicContact CG-CZ 3.95Å; T1269-F1273 WeakPolarHBondContact O-CB 3.44Å; T1269-F1273 PolarHBondContact O-N 3.03Å; F1270-F1273 WeakPolarHBondContact O-CB 3.29Å; F1270-F1273 PolarHBondContact O-N 2.87Å; F1270-F1273 VanDerWaalsContact O-N 3.14Å; E1271-F1273 VanDerWaalsContact C-N 3.25Å; E1271-F1273 PolarHBondContact O-N 2.92Å; F1273-K1276 WeakPolarHBondContact O-CB 3.35Å; F1273-K1276 PolarHBondContact O-N 3.2Å; F1273-H1277 PolarHBondContact O-N 3.36Å |
| 1274 | L | 57.6 | Low | 51 | Low | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 179.7 | -171.3 | 67.5 | 0 | 0 | 0 | 112.4 | F1270 E1271 K1276 H1277 L1278 T1295 I1298 I1302 | F1270-L1274 PolarHBondContact O-N 2.81Å; E1271-L1274 PolarHBondContact O-N 3.16Å; L1274-K1276 PolarHBondContact O-N 3.07Å; L1274-H1277 PolarHBondContact O-N 3.26Å; L1274-L1278 HydrophobicContact CD2-CD1 4.41Å; L1274-L1278 HydrophobicContact CG-CD1 3.95Å; L1274-L1278 PolarHBondContact O-N 3.31Å; L1274-T1295 HydrophobicContact CD1-CG2 4.34Å; L1274-I1298 HydrophobicContact CD1-CB 4.15Å; L1274-I1298 HydrophobicContact CD1-CG2 3.63Å; L1274-I1298 HydrophobicContact CD2-CG2 3.86Å; L1274-I1298 HydrophobicContact CG-CG2 4.41Å; L1274-I1302 HydrophobicContact CD2-CD1 3.49Å; L1274-I1302 VanDerWaalsContact CD2-CD1 3.49Å |
| 1275 | F | 55.6 | Low | 51.4 | Low | 60 Ų | 60 | 61.4 Ų | 61.4 | 26% | 0.263 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.4 | -39 | 174.7 | -176 | -87.8 | 0 | 0 | 0 | 111.9 | E1271 S1279 F1306 L1309 | E1271-F1275 VanDerWaalsContact O-CB 3.29Å; E1271-F1275 WeakPolarHBondContact O-CB 3.32Å; E1271-F1275 PolarHBondContact O-N 2.82Å; F1275-S1279 WeakPolarHBondContact O-CB 3.48Å; F1275-S1279 PolarHBondContact O-N 3Å; F1275-S1279 PolarHBondContact O-OG 3.27Å; F1275-F1306 HydrophobicContact CB-CE1 3.85Å; F1275-F1306 HydrophobicContact CB-CZ 4.28Å; F1275-F1306 HydrophobicContact CD2-CE1 4.17Å; F1275-L1309 HydrophobicContact CD2-CD1 3.89Å; F1275-L1309 HydrophobicContact CE2-CD1 3.7Å |
| 1276 | K | 52.5 | Low | 51.5 | Low | 78 Ų | 78 | 61.8 Ų | 61.8 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 177.6 | -72.4 | 167.6 | -173.9 | 159.9 | 0 | 112.9 | L1212 I1272 F1273 L1274 Y1280 | L1212-K1276 WeakPolarHBondContact O-CE 3.43Å; L1212-K1276 WeakPolarHBondContact O-CG 3.21Å; I1272-K1276 HydrophobicContact CG2-CD 4.48Å; I1272-K1276 VanDerWaalsContact O-CD 3.24Å; I1272-K1276 WeakPolarHBondContact O-CD 3.28Å; I1272-K1276 VanDerWaalsContact O-CG 3.26Å; I1272-K1276 WeakPolarHBondContact O-CG 3.33Å; F1273-K1276 WeakPolarHBondContact O-CB 3.35Å; F1273-K1276 PolarHBondContact O-N 3.2Å; L1274-K1276 PolarHBondContact O-N 3.07Å; K1276-Y1280 WeakPolarHBondContact O-CB 3.35Å; K1276-Y1280 PolarHBondContact O-N 3.01Å |
| 1277 | H | 60.5 | Low | 51 | Low | 30 Ų | 30 | 62.8 Ų | 62.8 | 14% | 0.139 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.3 | -54 | 176.3 | -167.4 | -7 | 0 | 0 | 0 | 110.8 | F1273 L1274 S1279 Y1280 E1281 | F1273-H1277 PolarHBondContact O-N 3.36Å; L1274-H1277 PolarHBondContact O-N 3.26Å; H1277-S1279 VanDerWaalsContact C-N 3.33Å; H1277-S1279 PolarHBondContact O-N 2.96Å; H1277-Y1280 WeakPolarHBondContact O-CB 3.38Å; H1277-Y1280 PolarHBondContact O-N 2.74Å; H1277-E1281 IonicContact CE1-OE1 2.66Å; H1277-E1281 PolarHBondContact CE1-OE1 3.1Å; H1277-E1281 VanDerWaalsContact CE1-OE1 3.27Å; H1277-E1281 IonicContact ND1-OE1 3.48Å; H1277-E1281 WeakPolarHBondContact O-CG 3.44Å; H1277-E1281 PolarHBondContact O-N 3.31Å |
| 1278 | L | 55.7 | Low | 50.8 | Low | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 177.2 | -73.4 | 161.4 | 0 | 0 | 0 | 112 | L1274 Y1280 E1281 A1282 T1295 A1299 F1306 | L1274-L1278 HydrophobicContact CD2-CD1 4.41Å; L1274-L1278 HydrophobicContact CG-CD1 3.95Å; L1274-L1278 PolarHBondContact O-N 3.31Å; L1278-Y1280 PolarHBondContact O-N 3.22Å; L1278-E1281 PolarHBondContact O-N 2.94Å; L1278-A1282 WeakPolarHBondContact O-CB 3.3Å; L1278-A1282 PolarHBondContact O-N 3.4Å; L1278-T1295 HydrophobicContact CD2-CG2 3.46Å; L1278-T1295 VanDerWaalsContact CD2-CG2 3.46Å; L1278-T1295 HydrophobicContact CG-CG2 3.71Å; L1278-A1299 HydrophobicContact CD1-CB 3.88Å; L1278-A1299 HydrophobicContact CD2-CB 4.43Å; L1278-F1306 HydrophobicContact CD1-CD1 3.62Å; L1278-F1306 HydrophobicContact CD1-CE1 4.2Å |
| 1279 | S | 51.8 | Low | 50.7 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.4 | -13.3 | 178 | -68.9 | 0 | 0 | 0 | 0 | 114.6 | W1211 F1275 H1277 | W1211-S1279 WeakPolarHBondContact CZ3-O 3.36Å; F1275-S1279 WeakPolarHBondContact O-CB 3.48Å; F1275-S1279 PolarHBondContact O-N 3Å; F1275-S1279 PolarHBondContact O-OG 3.27Å; H1277-S1279 VanDerWaalsContact C-N 3.33Å; H1277-S1279 PolarHBondContact O-N 2.96Å |
| 1280 | Y | 52.3 | Low | 50.5 | Low | 110 Ų | 110 | 60.8 Ų | 60.8 | 43% | 0.431 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -93.9 | -50.5 | 174.5 | -173.4 | -93.2 | 0 | 0 | 0 | 111 | L1212 K1276 H1277 L1278 A1282 K1283 T1284 | L1212-Y1280 HydrophobicContact CD1-CD2 3.9Å; K1276-Y1280 WeakPolarHBondContact O-CB 3.35Å; K1276-Y1280 PolarHBondContact O-N 3.01Å; H1277-Y1280 WeakPolarHBondContact O-CB 3.38Å; H1277-Y1280 PolarHBondContact O-N 2.74Å; L1278-Y1280 PolarHBondContact O-N 3.22Å; Y1280-A1282 VanDerWaalsContact C-N 3.26Å; Y1280-A1282 PolarHBondContact O-N 3.4Å; Y1280-K1283 WeakPolarHBondContact O-CA 3.26Å; Y1280-K1283 WeakPolarHBondContact O-CB 3.11Å; Y1280-K1283 PolarHBondContact O-N 2.64Å; Y1280-T1284 HydrophobicContact CD1-CG2 4.41Å; Y1280-T1284 HydrophobicContact CE1-CG2 3.99Å; Y1280-T1284 HydrophobicContact CE2-CG2 4.47Å; Y1280-T1284 PolarHBondContact O-N 3.43Å; Y1280-T1284 PolarHBondContact O-OG1 3.12Å |
| 1281 | E | 52.6 | Low | 50.3 | Low | 25 Ų | 25 | 58.4 Ų | 58.4 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -52.6 | -45.7 | 175.1 | -62.4 | -74.3 | 133.8 | 0 | 0 | 111 | H1277 L1278 K1283 T1284 C1285 C1291 | H1277-E1281 IonicContact CE1-OE1 2.66Å; H1277-E1281 PolarHBondContact CE1-OE1 3.1Å; H1277-E1281 VanDerWaalsContact CE1-OE1 3.27Å; H1277-E1281 IonicContact ND1-OE1 3.48Å; H1277-E1281 WeakPolarHBondContact O-CG 3.44Å; H1277-E1281 PolarHBondContact O-N 3.31Å; L1278-E1281 PolarHBondContact O-N 2.94Å; E1281-K1283 PolarHBondContact O-N 2.93Å; E1281-T1284 PolarHBondContact O-N 3.27Å; E1281-C1285 PolarHBondContact O-SG 3Å; E1281-C1291 VanDerWaalsContact CD-SG 3.51Å; E1281-C1291 PolarHBondContact OE1-SG 3.2Å; E1281-C1291 WeakPolarHBondContact OE2-CB 3.32Å; E1281-C1291 PolarHBondContact OE2-SG 3.12Å |
| 1282 | A | 50.1 | Low | 50.1 | Low | 20 Ų | 20 | 57 Ų | 57 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -8.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1278 Y1280 V1313 | L1278-A1282 WeakPolarHBondContact O-CB 3.3Å; L1278-A1282 PolarHBondContact O-N 3.4Å; Y1280-A1282 VanDerWaalsContact C-N 3.26Å; Y1280-A1282 PolarHBondContact O-N 3.4Å; A1282-V1313 HydrophobicContact CB-CG2 3.42Å; A1282-V1313 VanDerWaalsContact CB-CG2 3.42Å |
| 1283 | K | 46.3 | Very low | 49.9 | Very low | 64 Ų | 64 | 56.4 Ų | 56.4 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -9.2 | -177.6 | -72.7 | -173.2 | 167.5 | -178 | 0 | 114.6 | W1211 Y1280 E1281 | W1211-K1283 HydrophobicContact CH2-CD 4.18Å; W1211-K1283 VanDerWaalsContact CH2-NZ 3.32Å; W1211-K1283 HydrophobicContact CZ3-CD 3.83Å; Y1280-K1283 WeakPolarHBondContact O-CA 3.26Å; Y1280-K1283 WeakPolarHBondContact O-CB 3.11Å; Y1280-K1283 PolarHBondContact O-N 2.64Å; E1281-K1283 PolarHBondContact O-N 2.93Å |
| 1284 | T | 47.9 | Very low | 49.6 | Very low | 71 Ų | 71 | 58.7 Ų | 58.7 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | trans | -120.9 | 24.5 | -175.1 | 60 | 0 | 0 | 0 | 0 | 112.7 | Y1280 E1281 Y1286 | Y1280-T1284 HydrophobicContact CD1-CG2 4.41Å; Y1280-T1284 HydrophobicContact CE1-CG2 3.99Å; Y1280-T1284 HydrophobicContact CE2-CG2 4.47Å; Y1280-T1284 PolarHBondContact O-N 3.43Å; Y1280-T1284 PolarHBondContact O-OG1 3.12Å; E1281-T1284 PolarHBondContact O-N 3.27Å; T1284-Y1286 VanDerWaalsContact C-N 3.28Å; T1284-Y1286 PolarHBondContact O-N 3.25Å | ||
| 1285 | C | 44.8 | Very low | 49.2 | Very low | 60 Ų | 60 | 58.6 Ų | 58.6 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | trans | -72 | 69.7 | -173.9 | -75.9 | 0 | 0 | 0 | 0 | 114.6 | E1281 | E1281-C1285 PolarHBondContact O-SG 3Š| ||
| 1286 | Y | 40.5 | Very low | 48.9 | Very low | 219 Ų | 219 | 56.2 Ų | 56.2 | 86% | 0.859 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -126.2 | 122 | 140.9 | -83.5 | -88.7 | 0 | 0 | 0 | 107.3 | T1284 | T1284-Y1286 VanDerWaalsContact C-N 3.28Å; T1284-Y1286 PolarHBondContact O-N 3.25Å |
| 1287 | A | 35.8 | Very low | 48.8 | Very low | 105 Ų | 105 | 57.3 Ų | 57.3 | 87% | 0.868 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 63.7 | 77.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 1288 | D | 48.8 | Very low | 48.3 | Very low | 75 Ų | 75 | 58.7 Ų | 58.7 | 40% | 0.401 | 30% | 0.302 | S | S | . | . | 177.7 | 95.4 | 122.5 | -178.8 | 6.1 | 0 | 0 | 0 | 110.9 | R1247 E1290 C1291 | R1247-D1288 IonicContact NH2-OD2 3.83Å; R1247-D1288 PolarHBondContact NH2-OD2 3.4Å; D1288-E1290 VanDerWaalsContact C-N 3.28Å; D1288-E1290 PolarHBondContact O-N 3.33Å; D1288-E1290 WeakPolarHBondContact OD1-CB 3.15Å; D1288-E1290 PolarHBondContact OD1-N 2.85Å; D1288-C1291 HydrophobicContact CB-CB 4.21Å; D1288-C1291 PolarHBondContact O-N 3.4Å; D1288-C1291 PolarHBondContact OD1-N 2.85Å; D1288-C1291 WeakPolarHBondContact OD2-CB 3.34Å | |||
| 1289 | V | 46.2 | Very low | 48 | Very low | 43 Ų | 43 | 58.2 Ų | 58.2 | 26% | 0.261 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.8 | -20.1 | -178.9 | -165.5 | 0 | 0 | 0 | 0 | 112.5 | C1291 I1292 C1293 L1333 | V1289-C1291 VanDerWaalsContact C-N 3.33Å; V1289-I1292 PolarHBondContact O-N 3.37Å; V1289-C1293 PolarHBondContact O-N 3.49Å; V1289-C1293 PolarHBondContact O-SG 3.41Å; V1289-L1333 HydrophobicContact CB-CD2 4.22Å; V1289-L1333 HydrophobicContact CG1-CD2 3.96Å; V1289-L1333 HydrophobicContact CG2-CD2 4.23Å |
| 1290 | E | 47 | Very low | 47.9 | Very low | 69 Ų | 69 | 64.3 Ų | 64.3 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.8 | -32.3 | 176.3 | 174.9 | 143.2 | -156.1 | 0 | 0 | 111.7 | D1288 R1294 K1337 | D1288-E1290 VanDerWaalsContact C-N 3.28Å; D1288-E1290 PolarHBondContact O-N 3.33Å; D1288-E1290 WeakPolarHBondContact OD1-CB 3.15Å; D1288-E1290 PolarHBondContact OD1-N 2.85Å; E1290-R1294 WeakPolarHBondContact O-CB 3.5Å; E1290-R1294 VanDerWaalsContact O-CG 3.24Å; E1290-R1294 WeakPolarHBondContact O-CG 3.49Å; E1290-R1294 PolarHBondContact O-N 2.94Å; E1290-R1294 VanDerWaalsContact O-N 3.14Å; E1290-R1294 IonicContact OE1-CZ 3.15Å; E1290-R1294 IonicContact OE1-NE 2.72Å; E1290-R1294 PolarHBondContact OE1-NE 3.05Å; E1290-R1294 IonicContact OE1-NH2 2.75Å; E1290-R1294 PolarHBondContact OE1-NH2 3.3Å; E1290-K1337 IonicContact OE1-NZ 3.49Å; E1290-K1337 PolarHBondContact OE1-NZ 2.67Å; E1290-K1337 IonicContact OE2-NZ 2.68Å; E1290-K1337 PolarHBondContact OE2-NZ 2.82Å |
| 1291 | C | 47.7 | Very low | 47.8 | Very low | 15 Ų | 15 | 62.5 Ų | 62.5 | 10% | 0.101 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 171 | -159 | 0 | 0 | 0 | 0 | 111.8 | R1247 E1281 D1288 V1289 T1295 | R1247-C1291 PolarHBondContact NH2-SG 3.1Å; E1281-C1291 VanDerWaalsContact CD-SG 3.51Å; E1281-C1291 PolarHBondContact OE1-SG 3.2Å; E1281-C1291 WeakPolarHBondContact OE2-CB 3.32Å; E1281-C1291 PolarHBondContact OE2-SG 3.12Å; D1288-C1291 HydrophobicContact CB-CB 4.21Å; D1288-C1291 PolarHBondContact O-N 3.4Å; D1288-C1291 PolarHBondContact OD1-N 2.85Å; D1288-C1291 WeakPolarHBondContact OD2-CB 3.34Å; V1289-C1291 VanDerWaalsContact C-N 3.33Å; C1291-T1295 WeakPolarHBondContact O-CB 3.32Å; C1291-T1295 PolarHBondContact O-N 3.13Å; C1291-T1295 VanDerWaalsContact O-N 3.08Å; C1291-T1295 PolarHBondContact O-OG1 3.23Å |
| 1292 | I | 48.8 | Very low | 47.5 | Very low | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -55.2 | 176.5 | -60.4 | 173.7 | 0 | 0 | 0 | 110.7 | V1289 R1294 T1295 M1296 V1313 | V1289-I1292 PolarHBondContact O-N 3.37Å; I1292-R1294 PolarHBondContact O-N 3.19Å; I1292-T1295 PolarHBondContact O-N 2.86Å; I1292-T1295 VanDerWaalsContact O-N 3.07Å; I1292-M1296 HydrophobicContact CG2-CG 4.43Å; I1292-M1296 HydrophobicContact CG2-SD 3.97Å; I1292-M1296 WeakPolarHBondContact O-CG 3.44Å; I1292-M1296 PolarHBondContact O-N 3.02Å; I1292-V1313 HydrophobicContact CD1-CG1 4.09Å; I1292-V1313 HydrophobicContact CG1-CG1 4.47Å; I1292-V1313 HydrophobicContact CG2-CG1 3.61Å |
| 1293 | C | 48.4 | Very low | 47.6 | Very low | 14 Ų | 14 | 65.4 Ų | 65.4 | 10% | 0.095 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.7 | -46.7 | -178.7 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | V1289 T1295 M1296 D1297 | V1289-C1293 PolarHBondContact O-N 3.49Å; V1289-C1293 PolarHBondContact O-SG 3.41Å; C1293-T1295 PolarHBondContact O-N 3.18Å; C1293-M1296 WeakPolarHBondContact O-CB 3.38Å; C1293-M1296 PolarHBondContact O-N 3.26Å; C1293-M1296 VanDerWaalsContact O-N 3.13Å; C1293-D1297 PolarHBondContact O-N 3.34Å |
| 1294 | R | 50.4 | Low | 47.8 | Very low | 138 Ų | 138 | 68 Ų | 68 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -31 | 177.6 | -69.6 | 173.5 | -174.7 | -155.6 | 6.2 | 112.7 | E1290 I1292 I1298 | E1290-R1294 WeakPolarHBondContact O-CB 3.5Å; E1290-R1294 VanDerWaalsContact O-CG 3.24Å; E1290-R1294 WeakPolarHBondContact O-CG 3.49Å; E1290-R1294 PolarHBondContact O-N 2.94Å; E1290-R1294 VanDerWaalsContact O-N 3.14Å; E1290-R1294 IonicContact OE1-CZ 3.15Å; E1290-R1294 IonicContact OE1-NE 2.72Å; E1290-R1294 PolarHBondContact OE1-NE 3.05Å; E1290-R1294 IonicContact OE1-NH2 2.75Å; E1290-R1294 PolarHBondContact OE1-NH2 3.3Å; I1292-R1294 PolarHBondContact O-N 3.19Å; R1294-I1298 WeakPolarHBondContact O-CG1 3.37Å |
| 1295 | T | 48.6 | Very low | 48 | Very low | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -79.5 | -31.7 | 177.1 | -44 | 0 | 0 | 0 | 0 | 111.6 | L1274 L1278 C1291 I1292 C1293 I1298 A1299 | L1274-T1295 HydrophobicContact CD1-CG2 4.34Å; L1278-T1295 HydrophobicContact CD2-CG2 3.46Å; L1278-T1295 VanDerWaalsContact CD2-CG2 3.46Å; L1278-T1295 HydrophobicContact CG-CG2 3.71Å; C1291-T1295 WeakPolarHBondContact O-CB 3.32Å; C1291-T1295 PolarHBondContact O-N 3.13Å; C1291-T1295 VanDerWaalsContact O-N 3.08Å; C1291-T1295 PolarHBondContact O-OG1 3.23Å; I1292-T1295 PolarHBondContact O-N 2.86Å; I1292-T1295 VanDerWaalsContact O-N 3.07Å; C1293-T1295 PolarHBondContact O-N 3.18Å; T1295-I1298 PolarHBondContact O-N 3.23Å; T1295-A1299 PolarHBondContact O-N 3.45Å; T1295-A1299 VanDerWaalsContact O-N 3.1Å |
| 1296 | M | 49.6 | Very low | 48.5 | Very low | 11 Ų | 11 | 63.2 Ų | 63.2 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 170.9 | -67.5 | 172.8 | 75.2 | 0 | 0 | 112 | I1292 C1293 I1298 A1299 Y1300 A1310 L1314 F1338 | I1292-M1296 HydrophobicContact CG2-CG 4.43Å; I1292-M1296 HydrophobicContact CG2-SD 3.97Å; I1292-M1296 WeakPolarHBondContact O-CG 3.44Å; I1292-M1296 PolarHBondContact O-N 3.02Å; C1293-M1296 WeakPolarHBondContact O-CB 3.38Å; C1293-M1296 PolarHBondContact O-N 3.26Å; C1293-M1296 VanDerWaalsContact O-N 3.13Å; M1296-I1298 VanDerWaalsContact C-N 3.25Å; M1296-I1298 PolarHBondContact O-N 3.3Å; M1296-A1299 WeakPolarHBondContact O-CA 3.29Å; M1296-A1299 WeakPolarHBondContact O-CB 3.34Å; M1296-A1299 PolarHBondContact O-N 3Å; M1296-Y1300 WeakPolarHBondContact O-CD2 3.41Å; M1296-Y1300 PolarHBondContact O-N 3.13Å; M1296-A1310 HydrophobicContact CE-CB 3.98Å; M1296-A1310 HydrophobicContact CG-CB 4.08Å; M1296-L1314 HydrophobicContact CE-CB 4.45Å; M1296-F1338 HydrophobicContact CE-CE1 4.46Å |
| 1297 | D | 51.5 | Low | 49.3 | Very low | 100 Ų | 100 | 54.3 Ų | 54.3 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.2 | -39.9 | 176.1 | -79.4 | -26.3 | 0 | 0 | 0 | 112.3 | C1293 | C1293-D1297 PolarHBondContact O-N 3.34Å |
| 1298 | I | 49.7 | Very low | 50.3 | Low | 60 Ų | 60 | 49.9 Ų | 49.9 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.6 | -40 | 176.1 | -57.8 | 164.9 | 0 | 0 | 0 | 110.3 | L1274 R1294 T1295 M1296 Y1300 I1302 | L1274-I1298 HydrophobicContact CD1-CB 4.15Å; L1274-I1298 HydrophobicContact CD1-CG2 3.63Å; L1274-I1298 HydrophobicContact CD2-CG2 3.86Å; L1274-I1298 HydrophobicContact CG-CG2 4.41Å; R1294-I1298 WeakPolarHBondContact O-CG1 3.37Å; T1295-I1298 PolarHBondContact O-N 3.23Å; M1296-I1298 VanDerWaalsContact C-N 3.25Å; M1296-I1298 PolarHBondContact O-N 3.3Å; I1298-Y1300 PolarHBondContact O-N 2.92Å; I1298-I1302 HydrophobicContact CG2-CD1 4.06Å; I1298-I1302 VanDerWaalsContact O-CD1 3.24Å; I1298-I1302 WeakPolarHBondContact O-CD1 3.41Å |
| 1299 | A | 49.7 | Very low | 50.7 | Low | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -39.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1278 T1295 M1296 G1301 I1302 F1306 | L1278-A1299 HydrophobicContact CD1-CB 3.88Å; L1278-A1299 HydrophobicContact CD2-CB 4.43Å; T1295-A1299 PolarHBondContact O-N 3.45Å; T1295-A1299 VanDerWaalsContact O-N 3.1Å; M1296-A1299 WeakPolarHBondContact O-CA 3.29Å; M1296-A1299 WeakPolarHBondContact O-CB 3.34Å; M1296-A1299 PolarHBondContact O-N 3Å; A1299-G1301 PolarHBondContact O-N 2.93Å; A1299-G1301 VanDerWaalsContact O-N 3.16Å; A1299-I1302 PolarHBondContact O-N 2.67Å; A1299-F1306 HydrophobicContact CB-CB 4.19Å |
| 1300 | Y | 49.8 | Very low | 51.2 | Low | 129 Ų | 129 | 45.4 Ų | 45.4 | 51% | 0.506 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.3 | -176.3 | -99.9 | -76.5 | 0 | 0 | 0 | 114.4 | M1296 I1298 | M1296-Y1300 WeakPolarHBondContact O-CD2 3.41Å; M1296-Y1300 PolarHBondContact O-N 3.13Å; I1298-Y1300 PolarHBondContact O-N 2.92Å |
| 1301 | G | 50.2 | Low | 51.8 | Low | 72 Ų | 72 | 43.7 Ų | 43.7 | 74% | 0.742 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.6 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1299 | A1299-G1301 PolarHBondContact O-N 2.93Å; A1299-G1301 VanDerWaalsContact O-N 3.16Å |
| 1302 | I | 45.5 | Very low | 52.5 | Low | 41 Ų | 41 | 43.4 Ų | 43.4 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -37.7 | -154.8 | -70.2 | 169.8 | 0 | 0 | 0 | 115.6 | F1270 E1271 L1274 I1298 A1299 F1306 | F1270-I1302 HydrophobicContact CD1-CD1 4.24Å; F1270-I1302 HydrophobicContact CE1-CD1 3.44Å; F1270-I1302 VanDerWaalsContact CE1-CD1 3.44Å; F1270-I1302 HydrophobicContact CE1-CG1 4.34Å; F1270-I1302 HydrophobicContact CZ-CD1 4.01Å; E1271-I1302 HydrophobicContact CG-CG2 3.84Å; L1274-I1302 HydrophobicContact CD2-CD1 3.49Å; L1274-I1302 VanDerWaalsContact CD2-CD1 3.49Å; I1298-I1302 HydrophobicContact CG2-CD1 4.06Å; I1298-I1302 VanDerWaalsContact O-CD1 3.24Å; I1298-I1302 WeakPolarHBondContact O-CD1 3.41Å; A1299-I1302 PolarHBondContact O-N 2.67Å; I1302-F1306 HydrophobicContact CG2-CD2 4.1Å; I1302-F1306 HydrophobicContact CG2-CE2 3.84Å |
| 1303 | T | 52.2 | Low | 53.1 | Low | 65 Ų | 65 | 43.2 Ų | 43.2 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | trans | -179.4 | 155.7 | 162.6 | 17.1 | 0 | 0 | 0 | 0 | 111.7 | T1305 F1306 | T1303-T1305 PolarHBondContact O-N 3.4Å; T1303-F1306 PolarHBondContact O-N 3.11Å; T1303-F1306 WeakPolarHBondContact OG1-CD2 3.41Å | ||
| 1304 | N | 51.4 | Low | 53.7 | Low | 120 Ų | 120 | 45.2 Ų | 45.2 | 64% | 0.642 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -46.8 | -33.1 | 172.1 | -68.3 | -3 | 0 | 0 | 0 | 113.5 | F1306 V1307 | N1304-F1306 PolarHBondContact O-N 2.76Å; N1304-V1307 PolarHBondContact O-N 2.91Å |
| 1305 | T | 52.3 | Low | 54.3 | Low | 28 Ų | 28 | 39 Ų | 39 | 17% | 0.172 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -51.3 | -34.3 | 176.3 | -40 | 0 | 0 | 0 | 0 | 114.1 | T1166 M1169 T1303 | T1166-T1305 HydrophobicContact CG2-CG2 3.59Å; M1169-T1305 HydrophobicContact CE-CG2 3.82Å; T1303-T1305 PolarHBondContact O-N 3.4Å |
| 1306 | F | 55.2 | Low | 54.8 | Low | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -87.3 | -24.4 | -175.4 | -73.1 | -85.1 | 0 | 0 | 0 | 113.8 | E1271 F1275 L1278 A1299 I1302 T1303 N1304 V1308 L1309 A1310 | E1271-F1306 HydrophobicContact CB-CE2 4.4Å; E1271-F1306 HydrophobicContact CB-CZ 4.14Å; E1271-F1306 HydrophobicContact CG-CE2 4.29Å; E1271-F1306 HydrophobicContact CG-CZ 4.49Å; F1275-F1306 HydrophobicContact CB-CE1 3.85Å; F1275-F1306 HydrophobicContact CB-CZ 4.28Å; F1275-F1306 HydrophobicContact CD2-CE1 4.17Å; L1278-F1306 HydrophobicContact CD1-CD1 3.62Å; L1278-F1306 HydrophobicContact CD1-CE1 4.2Å; A1299-F1306 HydrophobicContact CB-CB 4.19Å; I1302-F1306 HydrophobicContact CG2-CD2 4.1Å; I1302-F1306 HydrophobicContact CG2-CE2 3.84Å; T1303-F1306 PolarHBondContact O-N 3.11Å; T1303-F1306 WeakPolarHBondContact OG1-CD2 3.41Å; N1304-F1306 PolarHBondContact O-N 2.76Å; F1306-V1308 PolarHBondContact O-N 3.44Å; F1306-L1309 PolarHBondContact O-N 2.95Å; F1306-A1310 PolarHBondContact O-N 3.2Å; F1306-A1310 VanDerWaalsContact O-N 3.15Å |
| 1307 | V | 56.5 | Low | 55.4 | Low | 32 Ų | 32 | 43.7 Ų | 43.7 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.1 | -37 | 179 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | N1304 L1309 A1310 E1311 | N1304-V1307 PolarHBondContact O-N 2.91Å; V1307-L1309 VanDerWaalsContact C-N 3.29Å; V1307-L1309 PolarHBondContact O-N 3.44Å; V1307-A1310 PolarHBondContact O-N 3.39Å; V1307-E1311 VanDerWaalsContact CG1-OE1 3.31Å; V1307-E1311 WeakPolarHBondContact CG1-OE1 3.36Å; V1307-E1311 PolarHBondContact O-N 3.45Å |
| 1308 | V | 56.9 | Low | 55.8 | Low | 12 Ų | 12 | 41 Ų | 41 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -33.4 | 177.5 | -161.5 | 0 | 0 | 0 | 0 | 113 | R1159 E1162 L1163 F1306 | R1159-V1308 HydrophobicContact CG-CG1 4.22Å; E1162-V1308 HydrophobicContact CB-CG1 4.06Å; L1163-V1308 HydrophobicContact CD2-CB 4.44Å; L1163-V1308 HydrophobicContact CD2-CG1 4.01Å; L1163-V1308 HydrophobicContact CG-CG1 3.91Å; F1306-V1308 PolarHBondContact O-N 3.44Å |
| 1309 | L | 56.5 | Low | 56.4 | Low | 23 Ų | 23 | 38.8 Ų | 38.8 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -79.2 | -40.3 | 175.8 | -79.5 | 162.5 | 0 | 0 | 0 | 111.6 | L1163 F1275 F1306 V1307 E1311 D1312 V1313 | L1163-L1309 HydrophobicContact CD2-CD2 3.61Å; L1163-L1309 HydrophobicContact CD2-CG 3.84Å; F1275-L1309 HydrophobicContact CD2-CD1 3.89Å; F1275-L1309 HydrophobicContact CE2-CD1 3.7Å; F1306-L1309 PolarHBondContact O-N 2.95Å; V1307-L1309 VanDerWaalsContact C-N 3.29Å; V1307-L1309 PolarHBondContact O-N 3.44Å; L1309-E1311 VanDerWaalsContact C-N 3.33Å; L1309-E1311 PolarHBondContact O-N 2.84Å; L1309-D1312 PolarHBondContact O-N 3.05Å; L1309-V1313 WeakPolarHBondContact O-CG2 3.4Å; L1309-V1313 PolarHBondContact O-N 2.84Å |
| 1310 | A | 57.9 | Low | 56.8 | Low | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1296 F1306 V1307 L1314 | M1296-A1310 HydrophobicContact CE-CB 3.98Å; M1296-A1310 HydrophobicContact CG-CB 4.08Å; F1306-A1310 PolarHBondContact O-N 3.2Å; F1306-A1310 VanDerWaalsContact O-N 3.15Å; V1307-A1310 PolarHBondContact O-N 3.39Å; A1310-L1314 PolarHBondContact O-N 3.28Å; A1310-L1314 VanDerWaalsContact O-N 3.12Å |
| 1311 | E | 58.6 | Low | 57.2 | Low | 32 Ų | 32 | 37.5 Ų | 37.5 | 15% | 0.15 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.6 | -39.2 | 178.1 | -76.1 | 175.6 | -139.7 | 0 | 0 | 114.1 | R1159 V1307 L1309 V1313 L1314 V1315 | R1159-E1311 HydrophobicContact CG-CB 4.49Å; R1159-E1311 IonicContact CZ-OE1 3.21Å; R1159-E1311 IonicContact CZ-OE2 3.99Å; R1159-E1311 IonicContact NE-OE1 2.82Å; R1159-E1311 IonicContact NE-OE2 2.75Å; R1159-E1311 PolarHBondContact NE-OE2 2.92Å; R1159-E1311 IonicContact NH2-OE1 3.67Å; R1159-E1311 PolarHBondContact NH2-OE1 3.47Å; R1159-E1311 IonicContact NH2-OE2 2.71Å; R1159-E1311 PolarHBondContact NH2-OE2 3.34Å; V1307-E1311 VanDerWaalsContact CG1-OE1 3.31Å; V1307-E1311 WeakPolarHBondContact CG1-OE1 3.36Å; V1307-E1311 PolarHBondContact O-N 3.45Å; L1309-E1311 VanDerWaalsContact C-N 3.33Å; L1309-E1311 PolarHBondContact O-N 2.84Å; E1311-V1313 VanDerWaalsContact C-N 3.28Å; E1311-V1313 PolarHBondContact O-N 3.42Å; E1311-L1314 PolarHBondContact O-N 3.3Å; E1311-V1315 WeakPolarHBondContact O-CG2 3.1Å; E1311-V1315 PolarHBondContact O-N 3.12Å |
| 1312 | D | 63.1 | Low | 57.5 | Low | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | 177.4 | -177.8 | 61.4 | 0 | 0 | 0 | 111.4 | L1163 L1309 R1316 | L1163-D1312 HydrophobicContact CD1-CB 3.77Å; L1309-D1312 PolarHBondContact O-N 3.05Å; D1312-R1316 WeakPolarHBondContact O-CD 3.46Å; D1312-R1316 WeakPolarHBondContact O-CG 3.16Å; D1312-R1316 PolarHBondContact O-N 2.73Å; D1312-R1316 VanDerWaalsContact O-N 3.1Å; D1312-R1316 IonicContact OD1-CZ 3.54Å; D1312-R1316 IonicContact OD1-NE 3.18Å; D1312-R1316 PolarHBondContact OD1-NE 2.85Å; D1312-R1316 IonicContact OD1-NH2 3.34Å; D1312-R1316 PolarHBondContact OD1-NH2 3.47Å; D1312-R1316 IonicContact OD2-CZ 3.6Å; D1312-R1316 IonicContact OD2-NE 3.14Å; D1312-R1316 PolarHBondContact OD2-NE 2.82Å; D1312-R1316 IonicContact OD2-NH2 3.99Å; D1312-R1316 PolarHBondContact OD2-NH2 3.28Å |
| 1313 | V | 60.6 | Low | 58 | Low | 12 Ų | 12 | 39.7 Ų | 39.7 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -47.9 | 171.6 | -179.7 | 0 | 0 | 0 | 0 | 111 | A1282 I1292 L1309 E1311 V1315 R1316 T1317 | A1282-V1313 HydrophobicContact CB-CG2 3.42Å; A1282-V1313 VanDerWaalsContact CB-CG2 3.42Å; I1292-V1313 HydrophobicContact CD1-CG1 4.09Å; I1292-V1313 HydrophobicContact CG1-CG1 4.47Å; I1292-V1313 HydrophobicContact CG2-CG1 3.61Å; L1309-V1313 WeakPolarHBondContact O-CG2 3.4Å; L1309-V1313 PolarHBondContact O-N 2.84Å; E1311-V1313 VanDerWaalsContact C-N 3.28Å; E1311-V1313 PolarHBondContact O-N 3.42Å; V1313-V1315 PolarHBondContact O-N 3.5Å; V1313-R1316 PolarHBondContact O-N 2.95Å; V1313-T1317 PolarHBondContact O-N 3.39Å; V1313-T1317 PolarHBondContact O-OG1 3.3Å; V1313-T1317 VanDerWaalsContact O-OG1 3.1Å |
| 1314 | L | 61.8 | Low | 58 | Low | 57 Ų | 57 | 41.6 Ų | 41.6 | 30% | 0.298 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 178.9 | -177 | 64.1 | 0 | 0 | 0 | 112.3 | M1296 A1310 E1311 T1317 L1318 | M1296-L1314 HydrophobicContact CE-CB 4.45Å; A1310-L1314 PolarHBondContact O-N 3.28Å; A1310-L1314 VanDerWaalsContact O-N 3.12Å; E1311-L1314 PolarHBondContact O-N 3.3Å; L1314-T1317 PolarHBondContact O-N 2.91Å; L1314-L1318 HydrophobicContact CD1-CD1 4.39Å; L1314-L1318 HydrophobicContact CG-CD1 4.16Å; L1314-L1318 WeakPolarHBondContact O-CB 3.24Å; L1314-L1318 VanDerWaalsContact O-CG 3.31Å; L1314-L1318 WeakPolarHBondContact O-CG 3.49Å; L1314-L1318 PolarHBondContact O-N 3.29Å |
| 1315 | V | 61.9 | Low | 57.7 | Low | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | W1136 K1156 E1311 V1313 M1319 | W1136-V1315 HydrophobicContact CH2-CG2 4.21Å; W1136-V1315 HydrophobicContact CZ2-CG2 4.09Å; K1156-V1315 HydrophobicContact CB-CG1 3.87Å; E1311-V1315 WeakPolarHBondContact O-CG2 3.1Å; E1311-V1315 PolarHBondContact O-N 3.12Å; V1313-V1315 PolarHBondContact O-N 3.5Å; V1315-M1319 WeakPolarHBondContact O-CB 3.4Å; V1315-M1319 VanDerWaalsContact O-CG 3.3Å; V1315-M1319 WeakPolarHBondContact O-CG 3.37Å; V1315-M1319 PolarHBondContact O-N 3.42Å |
| 1316 | R | 60.9 | Low | 57.7 | Low | 88 Ų | 88 | 40.7 Ų | 40.7 | 33% | 0.332 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.1 | -70.5 | 166.3 | -165.7 | -98.8 | -1.4 | 112.4 | D1312 V1313 L1318 M1319 C1320 | D1312-R1316 WeakPolarHBondContact O-CD 3.46Å; D1312-R1316 WeakPolarHBondContact O-CG 3.16Å; D1312-R1316 PolarHBondContact O-N 2.73Å; D1312-R1316 VanDerWaalsContact O-N 3.1Å; D1312-R1316 IonicContact OD1-CZ 3.54Å; D1312-R1316 IonicContact OD1-NE 3.18Å; D1312-R1316 PolarHBondContact OD1-NE 2.85Å; D1312-R1316 IonicContact OD1-NH2 3.34Å; D1312-R1316 PolarHBondContact OD1-NH2 3.47Å; D1312-R1316 IonicContact OD2-CZ 3.6Å; D1312-R1316 IonicContact OD2-NE 3.14Å; D1312-R1316 PolarHBondContact OD2-NE 2.82Å; D1312-R1316 IonicContact OD2-NH2 3.99Å; D1312-R1316 PolarHBondContact OD2-NH2 3.28Å; V1313-R1316 PolarHBondContact O-N 2.95Å; R1316-L1318 PolarHBondContact O-N 3.08Å; R1316-M1319 PolarHBondContact O-N 3.46Å; R1316-C1320 PolarHBondContact O-N 2.96Å |
| 1317 | T | 60.5 | Low | 57.3 | Low | 27 Ų | 27 | 42.4 Ų | 42.4 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.8 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | V1313 L1314 C1320 E1321 | V1313-T1317 PolarHBondContact O-N 3.39Å; V1313-T1317 PolarHBondContact O-OG1 3.3Å; V1313-T1317 VanDerWaalsContact O-OG1 3.1Å; L1314-T1317 PolarHBondContact O-N 2.91Å; T1317-C1320 PolarHBondContact O-N 2.66Å; T1317-E1321 PolarHBondContact O-N 2.98Å; T1317-E1321 VanDerWaalsContact O-N 3.12Å |
| 1318 | L | 60.2 | Low | 56.9 | Low | 44 Ų | 44 | 48 Ų | 48 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 175.3 | -70.4 | 170.3 | 0 | 0 | 0 | 112.2 | W1136 L1314 R1316 I1322 I1330 | W1136-L1318 HydrophobicContact CH2-CD1 4.34Å; L1314-L1318 HydrophobicContact CD1-CD1 4.39Å; L1314-L1318 HydrophobicContact CG-CD1 4.16Å; L1314-L1318 WeakPolarHBondContact O-CB 3.24Å; L1314-L1318 VanDerWaalsContact O-CG 3.31Å; L1314-L1318 WeakPolarHBondContact O-CG 3.49Å; L1314-L1318 PolarHBondContact O-N 3.29Å; R1316-L1318 PolarHBondContact O-N 3.08Å; L1318-I1322 WeakPolarHBondContact O-CB 2.95Å; L1318-I1322 WeakPolarHBondContact O-CD1 3.4Å; L1318-I1322 VanDerWaalsContact O-CG1 3.23Å; L1318-I1322 WeakPolarHBondContact O-CG1 3.37Å; L1318-I1322 PolarHBondContact O-N 3.25Å; L1318-I1322 VanDerWaalsContact O-N 3.11Å; L1318-I1330 HydrophobicContact CD2-CG2 3.78Å |
| 1319 | M | 63.4 | Low | 56.6 | Low | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.064 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 174.1 | -79.5 | -69 | -56.1 | 0 | 0 | 112.2 | R1149 L1152 E1153 V1315 R1316 I1322 E1323 | R1149-M1319 HydrophobicContact CG-CE 4.3Å; L1152-M1319 HydrophobicContact CB-CG 4.31Å; L1152-M1319 HydrophobicContact CB-SD 3.66Å; L1152-M1319 HydrophobicContact CD1-SD 4.31Å; E1153-M1319 HydrophobicContact CG-CE 4.13Å; E1153-M1319 WeakPolarHBondContact OE1-CE 3.36Å; V1315-M1319 WeakPolarHBondContact O-CB 3.4Å; V1315-M1319 VanDerWaalsContact O-CG 3.3Å; V1315-M1319 WeakPolarHBondContact O-CG 3.37Å; V1315-M1319 PolarHBondContact O-N 3.42Å; R1316-M1319 PolarHBondContact O-N 3.46Å; M1319-I1322 WeakPolarHBondContact O-CB 3.36Å; M1319-I1322 PolarHBondContact O-N 3.01Å; M1319-E1323 PolarHBondContact O-N 3.2Å |
| 1320 | C | 57.1 | Low | 56.1 | Low | 62 Ų | 62 | 53.8 Ų | 53.8 | 42% | 0.419 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | -179.9 | -70.2 | 0 | 0 | 0 | 0 | 112.8 | R1316 T1317 I1322 E1323 V1324 | R1316-C1320 PolarHBondContact O-N 2.96Å; T1317-C1320 PolarHBondContact O-N 2.66Å; C1320-I1322 VanDerWaalsContact C-N 3.26Å; C1320-I1322 PolarHBondContact O-N 2.96Å; C1320-E1323 WeakPolarHBondContact O-CB 3.49Å; C1320-E1323 PolarHBondContact O-N 2.9Å; C1320-V1324 WeakPolarHBondContact O-CG2 3.43Å; C1320-V1324 PolarHBondContact O-N 3.26Å |
| 1321 | E | 58.4 | Low | 55.6 | Low | 42 Ų | 42 | 54.6 Ų | 54.6 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.3 | -22.6 | -179.7 | -68.4 | -80 | 152.8 | 0 | 0 | 112.5 | T1317 E1323 G1325 I1330 | T1317-E1321 PolarHBondContact O-N 2.98Å; T1317-E1321 VanDerWaalsContact O-N 3.12Å; E1321-E1323 VanDerWaalsContact C-N 3.34Å; E1321-G1325 PolarHBondContact O-N 3.06Å; E1321-I1330 HydrophobicContact CB-CD1 3.62Å; E1321-I1330 HydrophobicContact CB-CG1 3.48Å; E1321-I1330 VanDerWaalsContact CB-CG1 3.48Å; E1321-I1330 HydrophobicContact CG-CG1 4.29Å |
| 1322 | I | 57.7 | Low | 55.2 | Low | 31 Ų | 31 | 56.2 Ų | 56.2 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.2 | -33.8 | 167.9 | -75.5 | 167.4 | 0 | 0 | 0 | 111.4 | V1145 L1148 L1152 L1318 M1319 C1320 I1330 | V1145-I1322 HydrophobicContact CG1-CG2 4.05Å; L1148-I1322 HydrophobicContact CD2-CD1 4.3Å; L1148-I1322 HydrophobicContact CG-CD1 4.49Å; L1152-I1322 HydrophobicContact CD1-CD1 3.48Å; L1152-I1322 VanDerWaalsContact CD1-CD1 3.48Å; L1318-I1322 WeakPolarHBondContact O-CB 2.95Å; L1318-I1322 WeakPolarHBondContact O-CD1 3.4Å; L1318-I1322 VanDerWaalsContact O-CG1 3.23Å; L1318-I1322 WeakPolarHBondContact O-CG1 3.37Å; L1318-I1322 PolarHBondContact O-N 3.25Å; L1318-I1322 VanDerWaalsContact O-N 3.11Å; M1319-I1322 WeakPolarHBondContact O-CB 3.36Å; M1319-I1322 PolarHBondContact O-N 3.01Å; C1320-I1322 VanDerWaalsContact C-N 3.26Å; C1320-I1322 PolarHBondContact O-N 2.96Å; I1322-I1330 HydrophobicContact CG1-CD1 4.3Å |
| 1323 | E | 54.8 | Low | 54.4 | Low | 128 Ų | 128 | 58.7 Ų | 58.7 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -77 | -30 | 176.2 | -67.1 | 177.3 | 159 | 0 | 0 | 112.8 | M1319 C1320 E1321 G1325 | M1319-E1323 PolarHBondContact O-N 3.2Å; C1320-E1323 WeakPolarHBondContact O-CB 3.49Å; C1320-E1323 PolarHBondContact O-N 2.9Å; E1321-E1323 VanDerWaalsContact C-N 3.34Å; E1323-G1325 VanDerWaalsContact C-N 3.26Å; E1323-G1325 PolarHBondContact O-N 3.41Å |
| 1324 | V | 52.7 | Low | 53.5 | Low | 105 Ų | 105 | 59.4 Ų | 59.4 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.4 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | C1320 N1326 | C1320-V1324 WeakPolarHBondContact O-CG2 3.43Å; C1320-V1324 PolarHBondContact O-N 3.26Å; V1324-N1326 PolarHBondContact O-N 2.92Å; V1324-N1326 VanDerWaalsContact O-N 3.07Å |
| 1325 | G | 45.1 | Very low | 52.7 | Low | 62 Ų | 62 | 62.2 Ų | 62.2 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 2.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E1321 E1323 A1327 | E1321-G1325 PolarHBondContact O-N 3.06Å; E1323-G1325 VanDerWaalsContact C-N 3.26Å; E1323-G1325 PolarHBondContact O-N 3.41Å; G1325-A1327 PolarHBondContact O-N 3.18Å; G1325-A1327 VanDerWaalsContact O-N 3.14Å |
| 1326 | N | 51.8 | Low | 52 | Low | 66 Ų | 66 | 65.8 Ų | 65.8 | 35% | 0.353 | 36% | 0.358 | S | S | . | . | trans | -93.1 | 65.1 | -172.2 | -157.5 | -38.4 | 0 | 0 | 0 | 112.2 | V1324 K1328 K1329 I1330 | V1324-N1326 PolarHBondContact O-N 2.92Å; V1324-N1326 VanDerWaalsContact O-N 3.07Å; N1326-K1328 PolarHBondContact O-N 3.38Å; N1326-K1329 HydrophobicContact CB-CB 4.17Å; N1326-K1329 HydrophobicContact CB-CD 4.34Å; N1326-K1329 WeakPolarHBondContact O-CB 3.29Å; N1326-K1329 PolarHBondContact O-N 2.83Å; N1326-K1329 PolarHBondContact OD1-N 3.24Å; N1326-K1329 VanDerWaalsContact OD1-N 3.08Å; N1326-I1330 PolarHBondContact O-N 3.47Å | ||
| 1327 | A | 46 | Very low | 51 | Low | 38 Ų | 38 | 65.1 Ų | 65.1 | 31% | 0.314 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -53.5 | -29.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1325 I1330 I1331 I1357 | G1325-A1327 PolarHBondContact O-N 3.18Å; G1325-A1327 VanDerWaalsContact O-N 3.14Å; A1327-I1330 PolarHBondContact O-N 2.68Å; A1327-I1331 WeakPolarHBondContact O-CB 3.3Å; A1327-I1331 VanDerWaalsContact O-CG1 3.28Å; A1327-I1331 WeakPolarHBondContact O-CG1 3.3Å; A1327-I1331 PolarHBondContact O-N 3.31Å; A1327-I1331 VanDerWaalsContact O-N 3.09Å; A1327-I1357 HydrophobicContact CB-CD1 4.09Å |
| 1328 | K | 48.8 | Very low | 50.1 | Low | 150 Ų | 150 | 67.5 Ų | 67.5 | 65% | 0.652 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 175.4 | -170.9 | 173.2 | -178.6 | 178.3 | 0 | 112.4 | N1326 I1331 D1332 | N1326-K1328 PolarHBondContact O-N 3.38Å; K1328-I1331 PolarHBondContact O-N 3.48Å; K1328-D1332 WeakPolarHBondContact O-CB 3.31Å; K1328-D1332 PolarHBondContact O-N 2.93Å |
| 1329 | K | 50.4 | Low | 48.9 | Very low | 121 Ų | 121 | 71.9 Ų | 71.9 | 53% | 0.526 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.1 | -49.5 | 172.8 | -98.2 | -175.2 | 169.5 | -173.3 | 0 | 111.7 | N1326 I1331 D1332 L1333 | N1326-K1329 HydrophobicContact CB-CB 4.17Å; N1326-K1329 HydrophobicContact CB-CD 4.34Å; N1326-K1329 WeakPolarHBondContact O-CB 3.29Å; N1326-K1329 PolarHBondContact O-N 2.83Å; N1326-K1329 PolarHBondContact OD1-N 3.24Å; N1326-K1329 VanDerWaalsContact OD1-N 3.08Å; K1329-I1331 VanDerWaalsContact C-N 3.31Å; K1329-I1331 PolarHBondContact O-N 3.4Å; K1329-D1332 PolarHBondContact O-N 2.93Å; K1329-L1333 WeakPolarHBondContact O-CB 3.25Å; K1329-L1333 PolarHBondContact O-N 3.35Å |
| 1330 | I | 47.2 | Very low | 47.3 | Very low | 35 Ų | 35 | 75.7 Ų | 75.7 | 18% | 0.179 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -54.9 | -50 | 178.8 | -55.7 | 175.8 | 0 | 0 | 0 | 110.3 | L1318 E1321 I1322 N1326 A1327 L1333 A1334 | L1318-I1330 HydrophobicContact CD2-CG2 3.78Å; E1321-I1330 HydrophobicContact CB-CD1 3.62Å; E1321-I1330 HydrophobicContact CB-CG1 3.48Å; E1321-I1330 VanDerWaalsContact CB-CG1 3.48Å; E1321-I1330 HydrophobicContact CG-CG1 4.29Å; I1322-I1330 HydrophobicContact CG1-CD1 4.3Å; N1326-I1330 PolarHBondContact O-N 3.47Å; A1327-I1330 PolarHBondContact O-N 2.68Å; I1330-L1333 PolarHBondContact O-N 3.46Å; I1330-A1334 WeakPolarHBondContact O-CB 3.43Å; I1330-A1334 PolarHBondContact O-N 3.14Å |
| 1331 | I | 46 | Very low | 45.9 | Very low | 18 Ų | 18 | 79.1 Ų | 79.1 | 9% | 0.092 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | -177.8 | -74.3 | 170.4 | 0 | 0 | 0 | 112 | A1327 K1328 K1329 K1335 T1350 L1353 I1357 | A1327-I1331 WeakPolarHBondContact O-CB 3.3Å; A1327-I1331 VanDerWaalsContact O-CG1 3.28Å; A1327-I1331 WeakPolarHBondContact O-CG1 3.3Å; A1327-I1331 PolarHBondContact O-N 3.31Å; A1327-I1331 VanDerWaalsContact O-N 3.09Å; K1328-I1331 PolarHBondContact O-N 3.48Å; K1329-I1331 VanDerWaalsContact C-N 3.31Å; K1329-I1331 PolarHBondContact O-N 3.4Å; I1331-K1335 VanDerWaalsContact O-CG 3.26Å; I1331-K1335 WeakPolarHBondContact O-CG 3.44Å; I1331-K1335 PolarHBondContact O-N 2.59Å; I1331-T1350 HydrophobicContact CG2-CG2 4.06Å; I1331-L1353 HydrophobicContact CD1-CD2 4.16Å; I1331-L1353 HydrophobicContact CG1-CD2 4.3Å; I1331-I1357 HydrophobicContact CD1-CD1 4.07Å |
| 1332 | D | 49.7 | Very low | 44.7 | Very low | 67 Ų | 67 | 80.6 Ų | 80.6 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.6 | -27.3 | -177.7 | -67.5 | -25.4 | 0 | 0 | 0 | 112.7 | K1328 K1329 K1335 S1336 | K1328-D1332 WeakPolarHBondContact O-CB 3.31Å; K1328-D1332 PolarHBondContact O-N 2.93Å; K1329-D1332 PolarHBondContact O-N 2.93Å; D1332-K1335 IonicContact OD1-NZ 3.2Å; D1332-K1335 PolarHBondContact OD1-NZ 3.46Å; D1332-S1336 WeakPolarHBondContact O-CB 3.48Å; D1332-S1336 PolarHBondContact O-N 3.1Å; D1332-S1336 PolarHBondContact O-OG 3.03Å |
| 1333 | L | 46.6 | Very low | 43.6 | Very low | 60 Ų | 60 | 81.1 Ų | 81.1 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.1 | -42.8 | 172.1 | -171.1 | 64.7 | 0 | 0 | 0 | 111.7 | V1289 K1329 I1330 S1336 | V1289-L1333 HydrophobicContact CB-CD2 4.22Å; V1289-L1333 HydrophobicContact CG1-CD2 3.96Å; V1289-L1333 HydrophobicContact CG2-CD2 4.23Å; K1329-L1333 WeakPolarHBondContact O-CB 3.25Å; K1329-L1333 PolarHBondContact O-N 3.35Å; I1330-L1333 PolarHBondContact O-N 3.46Å; L1333-S1336 PolarHBondContact O-N 2.89Å; L1333-S1336 PolarHBondContact O-OG 2.87Å |
| 1334 | A | 43.4 | Very low | 43 | Very low | 28 Ų | 28 | 77.6 Ų | 77.6 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1330 S1336 | I1330-A1334 WeakPolarHBondContact O-CB 3.43Å; I1330-A1334 PolarHBondContact O-N 3.14Å; A1334-S1336 VanDerWaalsContact C-N 3.34Å; A1334-S1336 PolarHBondContact O-N 2.77Å |
| 1335 | K | 44.9 | Very low | 42.2 | Very low | 116 Ų | 116 | 75.4 Ų | 75.4 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.3 | -36.1 | 177 | -71.5 | 168.7 | -158.9 | 161.3 | 0 | 114 | I1331 D1332 | I1331-K1335 VanDerWaalsContact O-CG 3.26Å; I1331-K1335 WeakPolarHBondContact O-CG 3.44Å; I1331-K1335 PolarHBondContact O-N 2.59Å; D1332-K1335 IonicContact OD1-NZ 3.2Å; D1332-K1335 PolarHBondContact OD1-NZ 3.46Å |
| 1336 | S | 45.4 | Very low | 42 | Very low | 80 Ų | 80 | 76.7 Ų | 76.7 | 56% | 0.559 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -93.2 | -11.2 | -162.5 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | D1332 L1333 A1334 | D1332-S1336 WeakPolarHBondContact O-CB 3.48Å; D1332-S1336 PolarHBondContact O-N 3.1Å; D1332-S1336 PolarHBondContact O-OG 3.03Å; L1333-S1336 PolarHBondContact O-N 2.89Å; L1333-S1336 PolarHBondContact O-OG 2.87Å; A1334-S1336 VanDerWaalsContact C-N 3.34Å; A1334-S1336 PolarHBondContact O-N 2.77Å |
| 1337 | K | 41 | Very low | 41.6 | Very low | 75 Ų | 75 | 77.8 Ų | 77.8 | 33% | 0.326 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -123.3 | -26.2 | -173.8 | -62.5 | -63.1 | -169.9 | 179.4 | 0 | 116 | E1290 N1339 | E1290-K1337 IonicContact OE1-NZ 3.49Å; E1290-K1337 PolarHBondContact OE1-NZ 2.67Å; E1290-K1337 IonicContact OE2-NZ 2.68Å; E1290-K1337 PolarHBondContact OE2-NZ 2.82Å; K1337-N1339 PolarHBondContact O-N 2.87Å |
| 1338 | F | 41.1 | Very low | 41.6 | Very low | 77 Ų | 77 | 80.6 Ų | 80.6 | 34% | 0.338 | 42% | 0.424 | S | S | . | . | trans | -92.3 | 72.5 | -176.5 | -68.6 | -74.6 | 0 | 0 | 0 | 113.2 | M1296 | M1296-F1338 HydrophobicContact CE-CE1 4.46Š| ||
| 1339 | N | 34.4 | Very low | 41.3 | Very low | 136 Ų | 136 | 76.4 Ų | 76.4 | 73% | 0.727 | 41% | 0.407 | S | S | * | . | trans | -110.6 | 51.1 | -175.8 | -157.3 | -3.2 | 0 | 0 | 0 | 113.1 | K1337 | K1337-N1339 PolarHBondContact O-N 2.87Š| ||
| 1340 | C | 31.5 | Very low | 41.1 | Very low | 93 Ų | 93 | 71.7 Ų | 71.7 | 63% | 0.628 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -142.3 | 117.3 | 175 | -162.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1341 | F | 27.1 | Very low | 41.3 | Very low | 134 Ų | 134 | 73.6 Ų | 73.6 | 59% | 0.588 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 26.4 | 116.7 | 173.5 | -69.8 | -77.9 | 0 | 0 | 0 | 119.8 | ||
| 1342 | C | 33.2 | Very low | 41.4 | Very low | 72 Ų | 72 | 74.3 Ų | 74.3 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | trans | 83.1 | 65.3 | 173.2 | -155.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1343 | T | 35 | Very low | 41.2 | Very low | 42 Ų | 42 | 73.9 Ų | 73.9 | 26% | 0.258 | 40% | 0.398 | S | S | . | . | trans | -87.4 | -20.1 | 178.8 | 51.1 | 0 | 0 | 0 | 0 | 115.6 | P1345 I1346 E1347 | T1343-P1345 VanDerWaalsContact C-CD 3.49Å; T1343-P1345 VanDerWaalsContact O-N 3.11Å; T1343-I1346 PolarHBondContact O-N 3.35Å; T1343-E1347 WeakPolarHBondContact CB-OE1 3.42Å; T1343-E1347 PolarHBondContact O-N 3.44Å; T1343-E1347 PolarHBondContact OG1-OE1 3.16Å | ||
| 1344 | A | 40.7 | Very low | 41.4 | Very low | 54 Ų | 54 | 76 Ų | 76 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -52.5 | -37.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | K1348 | A1344-K1348 WeakPolarHBondContact O-CB 3.44Å; A1344-K1348 PolarHBondContact O-N 3.46Å; A1344-K1348 VanDerWaalsContact O-N 3.12Å |
| 1345 | P | 36.9 | Very low | 42 | Very low | 60 Ų | 60 | 81 Ų | 81 | 39% | 0.39 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | 175.5 | -23.6 | 37.9 | 0 | 0 | 0 | 113.4 | F1133 T1343 M1349 | F1133-P1345 HydrophobicContact CD1-CG 4.21Å; F1133-P1345 HydrophobicContact CE1-CB 4.26Å; F1133-P1345 HydrophobicContact CE1-CG 3.68Å; F1133-P1345 HydrophobicContact CZ-CG 4.3Å; T1343-P1345 VanDerWaalsContact C-CD 3.49Å; T1343-P1345 VanDerWaalsContact O-N 3.11Å; P1345-M1349 WeakPolarHBondContact O-CB 3.27Å; P1345-M1349 PolarHBondContact O-N 3.23Å |
| 1346 | I | 40.2 | Very low | 42.1 | Very low | 88 Ų | 88 | 79.3 Ų | 79.3 | 45% | 0.451 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.5 | -37.6 | 178.8 | -61.1 | 174.8 | 0 | 0 | 0 | 110.3 | T1343 M1349 T1350 | T1343-I1346 PolarHBondContact O-N 3.35Å; I1346-M1349 PolarHBondContact O-N 2.96Å; I1346-T1350 WeakPolarHBondContact O-CB 3.35Å; I1346-T1350 PolarHBondContact O-N 3.34Å; I1346-T1350 PolarHBondContact O-OG1 3.39Å |
| 1347 | E | 44 | Very low | 42.3 | Very low | 90 Ų | 90 | 78.4 Ų | 78.4 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 172.6 | -70.6 | 164.6 | -174.5 | 0 | 0 | 111 | T1343 M1349 T1350 E1351 | T1343-E1347 WeakPolarHBondContact CB-OE1 3.42Å; T1343-E1347 PolarHBondContact O-N 3.44Å; T1343-E1347 PolarHBondContact OG1-OE1 3.16Å; E1347-M1349 PolarHBondContact O-N 2.66Å; E1347-T1350 CarbonylContact O-C 3.6Å; E1347-T1350 WeakPolarHBondContact O-CB 3.28Å; E1347-T1350 PolarHBondContact O-N 3.27Å; E1347-T1350 VanDerWaalsContact O-N 3.12Å; E1347-E1351 PolarHBondContact O-N 3.36Å |
| 1348 | K | 46.4 | Very low | 42.8 | Very low | 96 Ų | 96 | 78.1 Ų | 78.1 | 42% | 0.417 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 177.6 | -173.4 | 169.7 | 175.5 | -105.8 | 0 | 112.8 | E1140 A1344 T1350 E1351 N1352 | E1140-K1348 IonicContact OE1-NZ 3.1Å; E1140-K1348 PolarHBondContact OE1-NZ 3.4Å; E1140-K1348 IonicContact OE2-NZ 2.73Å; E1140-K1348 PolarHBondContact OE2-NZ 2.95Å; A1344-K1348 WeakPolarHBondContact O-CB 3.44Å; A1344-K1348 PolarHBondContact O-N 3.46Å; A1344-K1348 VanDerWaalsContact O-N 3.12Å; K1348-T1350 VanDerWaalsContact C-N 3.33Å; K1348-E1351 PolarHBondContact O-N 2.89Å; K1348-N1352 PolarHBondContact O-N 2.69Å |
| 1349 | M | 41.4 | Very low | 43.2 | Very low | 62 Ų | 62 | 76.8 Ų | 76.8 | 31% | 0.305 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 172.3 | -166.3 | -179.9 | -164.7 | 0 | 0 | 111.4 | W1136 L1139 P1345 I1346 E1347 N1352 L1353 | W1136-M1349 HydrophobicContact CE3-CE 4.34Å; L1139-M1349 HydrophobicContact CB-CE 3.83Å; L1139-M1349 HydrophobicContact CD1-CE 3.88Å; L1139-M1349 HydrophobicContact CG-CE 4.37Å; P1345-M1349 WeakPolarHBondContact O-CB 3.27Å; P1345-M1349 PolarHBondContact O-N 3.23Å; I1346-M1349 PolarHBondContact O-N 2.96Å; E1347-M1349 PolarHBondContact O-N 2.66Å; M1349-N1352 PolarHBondContact O-N 3.29Å; M1349-L1353 PolarHBondContact O-N 2.93Å |
| 1350 | T | 47.9 | Very low | 43.7 | Very low | 22 Ų | 22 | 74.8 Ų | 74.8 | 14% | 0.135 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | I1331 I1346 E1347 K1348 L1353 K1354 | I1331-T1350 HydrophobicContact CG2-CG2 4.06Å; I1346-T1350 WeakPolarHBondContact O-CB 3.35Å; I1346-T1350 PolarHBondContact O-N 3.34Å; I1346-T1350 PolarHBondContact O-OG1 3.39Å; E1347-T1350 CarbonylContact O-C 3.6Å; E1347-T1350 WeakPolarHBondContact O-CB 3.28Å; E1347-T1350 PolarHBondContact O-N 3.27Å; E1347-T1350 VanDerWaalsContact O-N 3.12Å; K1348-T1350 VanDerWaalsContact C-N 3.33Å; T1350-L1353 PolarHBondContact O-N 2.98Å; T1350-K1354 WeakPolarHBondContact O-CG 3.19Å; T1350-K1354 PolarHBondContact O-N 2.67Å |
| 1351 | E | 51.6 | Low | 44.4 | Very low | 76 Ų | 76 | 76.3 Ų | 76.3 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 173.1 | -72.3 | -160.8 | 153.6 | 0 | 0 | 113.2 | E1347 K1348 K1354 R1355 | E1347-E1351 PolarHBondContact O-N 3.36Å; K1348-E1351 PolarHBondContact O-N 2.89Å; E1351-K1354 PolarHBondContact O-N 3.31Å; E1351-R1355 PolarHBondContact O-N 2.55Å; E1351-R1355 IonicContact OE2-NH2 3.16Å; E1351-R1355 PolarHBondContact OE2-NH2 2.79Å |
| 1352 | N | 47.3 | Very low | 45.2 | Very low | 32 Ų | 32 | 78 Ų | 78 | 17% | 0.171 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 174.8 | -76 | -8.4 | 0 | 0 | 0 | 110.8 | E1140 K1348 M1349 R1355 N1356 | E1140-N1352 PolarHBondContact OE2-ND2 2.71Å; K1348-N1352 PolarHBondContact O-N 2.69Å; M1349-N1352 PolarHBondContact O-N 3.29Å; N1352-R1355 PolarHBondContact O-N 3.45Å; N1352-R1355 PolarHBondContact OD1-NH1 2.67Å; N1352-R1355 PolarHBondContact OD1-NH2 2.93Å; N1352-N1356 WeakPolarHBondContact O-CB 3.28Å; N1352-N1356 PolarHBondContact O-N 3.48Å; N1352-N1356 PolarHBondContact O-OD1 3Å |
| 1353 | L | 45.2 | Very low | 45.6 | Very low | 59 Ų | 59 | 83.2 Ų | 83.2 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 173.6 | -127.1 | 78.5 | 0 | 0 | 0 | 111.8 | I1331 M1349 T1350 N1356 I1357 | I1331-L1353 HydrophobicContact CD1-CD2 4.16Å; I1331-L1353 HydrophobicContact CG1-CD2 4.3Å; M1349-L1353 PolarHBondContact O-N 2.93Å; T1350-L1353 PolarHBondContact O-N 2.98Å; L1353-N1356 PolarHBondContact O-N 3.12Å; L1353-I1357 WeakPolarHBondContact O-CB 3.27Å; L1353-I1357 VanDerWaalsContact O-CG1 3.25Å; L1353-I1357 WeakPolarHBondContact O-CG1 3.22Å; L1353-I1357 PolarHBondContact O-N 3.14Å |
| 1354 | K | 51.5 | Low | 45.8 | Very low | 104 Ų | 104 | 86.5 Ų | 86.5 | 45% | 0.452 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57 | -52.2 | 174.1 | -76.8 | 171.5 | 177.7 | 176.1 | 0 | 111.7 | T1350 E1351 N1356 I1357 S1358 | T1350-K1354 WeakPolarHBondContact O-CG 3.19Å; T1350-K1354 PolarHBondContact O-N 2.67Å; E1351-K1354 PolarHBondContact O-N 3.31Å; K1354-N1356 VanDerWaalsContact C-N 3.31Å; K1354-N1356 PolarHBondContact O-N 2.92Å; K1354-I1357 PolarHBondContact O-N 2.85Å; K1354-S1358 PolarHBondContact O-N 3.06Å; K1354-S1358 PolarHBondContact O-OG 3.49Å |
| 1355 | R | 54.7 | Low | 45.4 | Very low | 134 Ų | 134 | 92.3 Ų | 92.3 | 51% | 0.506 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | -179.6 | -83.4 | -174.9 | -100.8 | 113.4 | 1.7 | 111.8 | E1351 N1352 A1359 | E1351-R1355 PolarHBondContact O-N 2.55Å; E1351-R1355 IonicContact OE2-NH2 3.16Å; E1351-R1355 PolarHBondContact OE2-NH2 2.79Å; N1352-R1355 PolarHBondContact O-N 3.45Å; N1352-R1355 PolarHBondContact OD1-NH1 2.67Å; N1352-R1355 PolarHBondContact OD1-NH2 2.93Å; R1355-A1359 WeakPolarHBondContact O-CB 3.38Å; R1355-A1359 PolarHBondContact O-N 3.43Å |
| 1356 | N | 47.9 | Very low | 45.2 | Very low | 80 Ų | 80 | 92.1 Ų | 92.1 | 43% | 0.428 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.6 | -36.2 | 178.8 | -68.5 | -2 | 0 | 0 | 0 | 112.6 | N1352 L1353 K1354 A1359 I1360 | N1352-N1356 WeakPolarHBondContact O-CB 3.28Å; N1352-N1356 PolarHBondContact O-N 3.48Å; N1352-N1356 PolarHBondContact O-OD1 3Å; L1353-N1356 PolarHBondContact O-N 3.12Å; K1354-N1356 VanDerWaalsContact C-N 3.31Å; K1354-N1356 PolarHBondContact O-N 2.92Å; N1356-A1359 PolarHBondContact O-N 3.2Å; N1356-I1360 WeakPolarHBondContact O-CD1 3.31Å; N1356-I1360 VanDerWaalsContact O-CG1 3.3Å; N1356-I1360 WeakPolarHBondContact O-CG1 3.43Å; N1356-I1360 PolarHBondContact O-N 3.39Å |
| 1357 | I | 49.8 | Very low | 44.8 | Very low | 61 Ų | 61 | 96.3 Ų | 96.3 | 31% | 0.313 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 174.2 | -69.8 | 165.1 | 0 | 0 | 0 | 110.6 | A1327 I1331 L1353 K1354 A1359 I1360 D1361 | A1327-I1357 HydrophobicContact CB-CD1 4.09Å; I1331-I1357 HydrophobicContact CD1-CD1 4.07Å; L1353-I1357 WeakPolarHBondContact O-CB 3.27Å; L1353-I1357 VanDerWaalsContact O-CG1 3.25Å; L1353-I1357 WeakPolarHBondContact O-CG1 3.22Å; L1353-I1357 PolarHBondContact O-N 3.14Å; K1354-I1357 PolarHBondContact O-N 2.85Å; I1357-A1359 VanDerWaalsContact C-N 3.28Å; I1357-A1359 PolarHBondContact O-N 3.32Å; I1357-I1360 WeakPolarHBondContact O-CB 3.32Å; I1357-I1360 PolarHBondContact O-N 3.47Å; I1357-D1361 PolarHBondContact O-N 2.96Å |
| 1358 | S | 51.2 | Low | 44.5 | Very low | 68 Ų | 68 | 100.4 Ų | 100.4 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | K1354 I1360 D1361 E1362 | K1354-S1358 PolarHBondContact O-N 3.06Å; K1354-S1358 PolarHBondContact O-OG 3.49Å; S1358-I1360 PolarHBondContact O-N 3.29Å; S1358-D1361 PolarHBondContact O-N 3.36Å; S1358-E1362 WeakPolarHBondContact O-CG 3.17Å; S1358-E1362 PolarHBondContact O-N 2.93Å |
| 1359 | A | 49.7 | Very low | 44.4 | Very low | 49 Ų | 49 | 100.6 Ų | 100.6 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.6 | -10.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1355 N1356 I1357 | R1355-A1359 WeakPolarHBondContact O-CB 3.38Å; R1355-A1359 PolarHBondContact O-N 3.43Å; N1356-A1359 PolarHBondContact O-N 3.2Å; I1357-A1359 VanDerWaalsContact C-N 3.28Å; I1357-A1359 PolarHBondContact O-N 3.32Å |
| 1360 | I | 44.7 | Very low | 44.6 | Very low | 94 Ų | 94 | 102.6 Ų | 102.6 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -89.4 | -43.8 | 171 | -71.1 | 163.4 | 0 | 0 | 0 | 109.9 | N1356 I1357 S1358 E1362 K1363 K1364 | N1356-I1360 WeakPolarHBondContact O-CD1 3.31Å; N1356-I1360 VanDerWaalsContact O-CG1 3.3Å; N1356-I1360 WeakPolarHBondContact O-CG1 3.43Å; N1356-I1360 PolarHBondContact O-N 3.39Å; I1357-I1360 WeakPolarHBondContact O-CB 3.32Å; I1357-I1360 PolarHBondContact O-N 3.47Å; S1358-I1360 PolarHBondContact O-N 3.29Å; I1360-E1362 VanDerWaalsContact C-N 3.3Å; I1360-E1362 PolarHBondContact O-N 2.83Å; I1360-K1363 PolarHBondContact O-N 2.99Å; I1360-K1364 PolarHBondContact O-N 3.41Å |
| 1361 | D | 45 | Very low | 44.4 | Very low | 126 Ų | 126 | 107.1 Ų | 107.1 | 67% | 0.674 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.7 | -41.5 | 173.5 | -75.8 | -28.2 | 0 | 0 | 0 | 111.5 | I1357 S1358 K1363 | I1357-D1361 PolarHBondContact O-N 2.96Å; S1358-D1361 PolarHBondContact O-N 3.36Å; D1361-K1363 PolarHBondContact O-N 2.88Å; D1361-K1363 VanDerWaalsContact O-N 3.07Å |
| 1362 | E | 45.2 | Very low | 44 | Very low | 170 Ų | 170 | 108.9 Ų | 108.9 | 79% | 0.794 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -1.7 | 176.1 | -73.4 | -174.9 | 167.1 | 0 | 0 | 114.8 | S1358 I1360 | S1358-E1362 WeakPolarHBondContact O-CG 3.17Å; S1358-E1362 PolarHBondContact O-N 2.93Å; I1360-E1362 VanDerWaalsContact C-N 3.3Å; I1360-E1362 PolarHBondContact O-N 2.83Å |
| 1363 | K | 41.1 | Very low | 43.8 | Very low | 180 Ų | 180 | 113.8 Ų | 113.8 | 78% | 0.783 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | -3.2 | -175.9 | -79.5 | -172.8 | 174.4 | 178.5 | 0 | 116.8 | I1360 D1361 N1365 | I1360-K1363 PolarHBondContact O-N 2.99Å; D1361-K1363 PolarHBondContact O-N 2.88Å; D1361-K1363 VanDerWaalsContact O-N 3.07Å; K1363-N1365 PolarHBondContact O-N 2.8Å; K1363-N1365 VanDerWaalsContact O-N 3.14Å |
| 1364 | K | 39.3 | Very low | 43.7 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 48% | 0.483 | 62% | 0.619 | S | S | . | * | trans | -86.4 | 76.5 | 175 | -86.9 | -151.2 | 171.6 | -159.2 | 0 | 113.9 | I1360 E1367 P1368 | I1360-K1364 PolarHBondContact O-N 3.41Å; K1364-E1367 PolarHBondContact NZ-O 2.92Å; K1364-P1368 PolarHBondContact NZ-O 3.13Å; K1364-P1368 PolarHBondContact NZ-OXT 3.39Å | ||
| 1365 | N | 32.6 | Very low | 43.1 | Very low | 176 Ų | 176 | 118.4 Ų | 118.4 | 94% | 0.941 | 63% | 0.631 | S | S | * | * | trans | -86.6 | 89.8 | 142.7 | -106.1 | -14.7 | 0 | 0 | 0 | 107.5 | K1363 | K1363-N1365 PolarHBondContact O-N 2.8Å; K1363-N1365 VanDerWaalsContact O-N 3.14Å | ||
| 1366 | G | 32.1 | Very low | 42.2 | Very low | 57 Ų | 57 | 117.2 Ų | 117.2 | 59% | 0.588 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 142.3 | 87.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1367 | E | 32.1 | Very low | 41.7 | Very low | 176 Ų | 176 | 120.3 Ų | 120.3 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | trans | 59.3 | 164.3 | 151.9 | -80.3 | -176.4 | -178.7 | 0 | 0 | 118.9 | K1364 | K1364-E1367 PolarHBondContact NZ-O 2.92Š| ||
| 1368 | P | 38.1 | Very low | 41 | Very low | 175 Ų | 175 | 125.6 Ų | 125.6 | 100% | 1.136 | 69% | 0.689 | S | S | * | * | trans | -50.1 | 0 | -147.7 | -33.3 | 37.3 | 0 | 0 | 0 | 117.8 | K1364 | K1364-P1368 PolarHBondContact NZ-O 3.13Å; K1364-P1368 PolarHBondContact NZ-OXT 3.39Å |
Retrieved 1,368 of 1,368 residues in 245.6 ms
(Link to these results)