| 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 | 39.1 | Very low | 43.1 | Very low | 221 Ų | 221 | 162.9 Ų | 162.9 | 100% | 1.089 | 74% | 0.735 | S | S | * | * | 0 | -55.2 | 0 | -79.8 | 170.6 | 165.8 | 0 | 0 | 113.6 | R3 K4 | M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 2.79Å; M1-K4 PolarHBondContact O-N 3.23Å | |||
| 2 | L | 42.2 | Very low | 42.6 | Very low | 158 Ų | 158 | 160.6 Ų | 160.6 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -39.5 | -40.2 | -170.9 | -71.7 | 161.5 | 0 | 0 | 0 | 117.5 | K4 C5 | L2-K4 PolarHBondContact O-N 2.85Å; L2-K4 VanDerWaalsContact O-N 3.12Å; L2-C5 PolarHBondContact O-N 2.75Å |
| 3 | R | 40.1 | Very low | 42.1 | Very low | 244 Ų | 244 | 155.6 Ų | 155.6 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -62.4 | -13.5 | 178.1 | -82.7 | -173.8 | 172.1 | 177.5 | -1.8 | 115.8 | M1 | M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 2.79Å |
| 4 | K | 43.2 | Very low | 41.4 | Very low | 179 Ų | 179 | 152.4 Ų | 152.4 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -92.1 | -19.1 | 174.9 | -75.7 | -165.7 | 174 | -172.3 | 0 | 114.5 | M1 L2 | M1-K4 PolarHBondContact O-N 3.23Å; L2-K4 PolarHBondContact O-N 2.85Å; L2-K4 VanDerWaalsContact O-N 3.12Å |
| 5 | C | 45.1 | Very low | 40.8 | Very low | 80 Ų | 80 | 148.3 Ų | 148.3 | 54% | 0.541 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -74.3 | -31.4 | -179 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | L2 W7 F8 V9 | L2-C5 PolarHBondContact O-N 2.75Å; C5-W7 VanDerWaalsContact C-N 3.31Å; C5-W7 PolarHBondContact O-N 2.93Å; C5-F8 PolarHBondContact O-N 3.18Å; C5-F8 VanDerWaalsContact O-N 3.12Å; C5-V9 PolarHBondContact O-N 3.14Å |
| 6 | W | 43.8 | Very low | 40.3 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -63.1 | -35.3 | -174.8 | -139.7 | 60.5 | 0 | 0 | 0 | 113.1 | V10 | W6-V10 WeakPolarHBondContact O-CG2 3.47Å; W6-V10 PolarHBondContact O-N 2.91Å |
| 7 | W | 43.1 | Very low | 39.8 | Very low | 189 Ų | 189 | 148.1 Ų | 148.1 | 72% | 0.716 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -68.7 | -33 | 175 | -85 | 86.8 | 0 | 0 | 0 | 113.4 | C5 W11 | C5-W7 VanDerWaalsContact C-N 3.31Å; C5-W7 PolarHBondContact O-N 2.93Å; W7-W11 PolarHBondContact O-N 2.88Å; W7-W11 VanDerWaalsContact O-N 3.09Å |
| 8 | F | 42.9 | Very low | 39.2 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -70.4 | -39.5 | 178.8 | -104.5 | -89.6 | 0 | 0 | 0 | 112.6 | C5 W11 F12 | C5-F8 PolarHBondContact O-N 3.18Å; C5-F8 VanDerWaalsContact O-N 3.12Å; F8-W11 PolarHBondContact O-N 3.3Å; F8-F12 PolarHBondContact O-N 2.81Å; F8-F12 VanDerWaalsContact O-N 3.07Å |
| 9 | V | 48.9 | Very low | 38.8 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 58% | 0.576 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -65.3 | -43.1 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | C5 W11 F12 S13 | C5-V9 PolarHBondContact O-N 3.14Å; V9-W11 VanDerWaalsContact C-N 3.29Å; V9-W11 PolarHBondContact O-N 3.03Å; V9-F12 PolarHBondContact O-N 3.43Å; V9-S13 PolarHBondContact O-N 2.92Å; V9-S13 PolarHBondContact O-OG 3.12Å; V9-S13 VanDerWaalsContact O-OG 3.14Å |
| 10 | V | 47.2 | Very low | 38.7 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 47% | 0.467 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -64.8 | -30.8 | 177 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | W6 | W6-V10 WeakPolarHBondContact O-CG2 3.47Å; W6-V10 PolarHBondContact O-N 2.91Å |
| 11 | W | 38.8 | Very low | 38.8 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 73% | 0.731 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -76.3 | -42.7 | 176.2 | -117.6 | 55.3 | 0 | 0 | 0 | 113.3 | W7 F8 V9 S13 C14 | W7-W11 PolarHBondContact O-N 2.88Å; W7-W11 VanDerWaalsContact O-N 3.09Å; F8-W11 PolarHBondContact O-N 3.3Å; V9-W11 VanDerWaalsContact C-N 3.29Å; V9-W11 PolarHBondContact O-N 3.03Å; W11-S13 PolarHBondContact O-N 3.42Å; W11-C14 PolarHBondContact O-N 3.42Å |
| 12 | F | 36.8 | Very low | 40.1 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 59% | 0.592 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.6 | -25.8 | -177.8 | -105.5 | -90.4 | 0 | 0 | 0 | 114 | F8 V9 C14 I16 | F8-F12 PolarHBondContact O-N 2.81Å; F8-F12 VanDerWaalsContact O-N 3.07Å; V9-F12 PolarHBondContact O-N 3.43Å; F12-C14 PolarHBondContact O-N 2.93Å; F12-I16 HydrophobicContact CD1-CD1 4.29Å; F12-I16 HydrophobicContact CE1-CD1 4.49Å |
| 13 | S | 35.9 | Very low | 41.6 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -10.3 | 174.1 | -63.8 | 0 | 0 | 0 | 0 | 114.8 | V9 W11 | V9-S13 PolarHBondContact O-N 2.92Å; V9-S13 PolarHBondContact O-OG 3.12Å; V9-S13 VanDerWaalsContact O-OG 3.14Å; W11-S13 PolarHBondContact O-N 3.42Å |
| 14 | C | 32.6 | Very low | 43.6 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 75% | 0.75 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -4.2 | -176 | -77.6 | 0 | 0 | 0 | 0 | 115.4 | W11 F12 | W11-C14 PolarHBondContact O-N 3.42Å; F12-C14 PolarHBondContact O-N 2.93Å |
| 15 | S | 32.4 | Very low | 45.3 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 63% | 0.629 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -125.1 | 0.2 | -169.3 | -57.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 16 | I | 32.3 | Very low | 46.8 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -132 | 59.3 | -177.2 | -43.4 | -179 | 0 | 0 | 0 | 111.2 | F12 | F12-I16 HydrophobicContact CD1-CD1 4.29Å; F12-I16 HydrophobicContact CE1-CD1 4.49Å |
| 17 | H | 33 | Very low | 48.7 | Very low | 173 Ų | 173 | 107.4 Ų | 107.4 | 80% | 0.801 | 58% | 0.578 | S | S | * | * | trans | -173.4 | 88.5 | 134.7 | -103.5 | -67.8 | 0 | 0 | 0 | 109.7 | A19 | H17-A19 VanDerWaalsContact C-N 3.28Å; H17-A19 PolarHBondContact O-N 3.39Å | ||
| 18 | V | 28.6 | Very low | 50.6 | Low | 149 Ų | 149 | 103 Ų | 103 | 90% | 0.903 | 57% | 0.568 | S | S | * | * | trans | -78.8 | 80.8 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 19 | A | 31.4 | Very low | 52.6 | Low | 62 Ų | 62 | 96 Ų | 96 | 51% | 0.512 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -151.2 | 99.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H17 C21 | H17-A19 VanDerWaalsContact C-N 3.28Å; H17-A19 PolarHBondContact O-N 3.39Å; A19-C21 PolarHBondContact O-N 2.64Å |
| 20 | S | 35.7 | Very low | 54.4 | Low | 105 Ų | 105 | 92.3 Ų | 92.3 | 73% | 0.734 | 52% | 0.515 | S | S | * | . | trans | 38.4 | 71 | 155.1 | 58.4 | 0 | 0 | 0 | 0 | 118.7 | E22 | S20-E22 PolarHBondContact O-N 3.29Š| ||
| 21 | C | 41.6 | Very low | 56.1 | Low | 98 Ų | 98 | 90 Ų | 90 | 66% | 0.662 | 50% | 0.5 | S | S | * | . | trans | -75 | 67.3 | 160.7 | -75.7 | 0 | 0 | 0 | 0 | 111.5 | A19 Y23 | A19-C21 PolarHBondContact O-N 2.64Å; C21-Y23 PolarHBondContact O-N 3.16Å | ||
| 22 | E | 65.9 | Low | 58.1 | Low | 85 Ų | 85 | 89 Ų | 89 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | trans | -64 | -35.7 | -179.4 | -80.6 | -150.9 | 95.2 | 0 | 0 | 114 | S20 C43 S44 S45 | S20-E22 PolarHBondContact O-N 3.29Å; E22-C43 CarbonylContact O-C 3.5Å; E22-S44 VanDerWaalsContact CB-OG 3.25Å; E22-S44 WeakPolarHBondContact CB-OG 3.33Å; E22-S44 VanDerWaalsContact CD-OG 3.29Å; E22-S44 WeakPolarHBondContact CG-OG 3.39Å; E22-S44 PolarHBondContact O-N 2.71Å; E22-S44 PolarHBondContact O-OG 3.45Å; E22-S44 WeakPolarHBondContact OE1-CB 3.49Å; E22-S44 PolarHBondContact OE1-OG 2.92Å; E22-S45 PolarHBondContact O-N 3.31Å | ||
| 23 | Y | 74.8 | Confident | 60.1 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.8 | -168.4 | -57 | -88.7 | 0 | 0 | 0 | 111.7 | C21 S45 K264 | C21-Y23 PolarHBondContact O-N 3.16Å; Y23-S45 WeakPolarHBondContact CA-O 3.31Å; Y23-K264 PolarHBondContact OH-NZ 3.27Å |
| 24 | C | 82.5 | Confident | 61.8 | Low | 20 Ų | 20 | 91.4 Ų | 91.4 | 14% | 0.135 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 141.9 | -174.3 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | L40 C43 S45 I46 Q47 | C24-L40 HydrophobicContact CB-CD2 4.23Å; C24-C43 HydrophobicContact CB-CB 3.64Å; C24-C43 WeakPolarHBondContact CB-SG 3.44Å; C24-C43 WeakPolarHBondContact SG-CB 3.35Å; C24-C43 CovalentContact SG-SG 2.02Å; C24-C43 PolarHBondContact SG-SG 3.47Å; C24-S45 PolarHBondContact N-O 3.38Å; C24-I46 CarbonylContact O-C 3.57Å; C24-I46 VanDerWaalsContact O-CA 3.28Å; C24-I46 WeakPolarHBondContact O-CA 3.34Å; C24-Q47 PolarHBondContact O-N 2.84Å |
| 25 | S | 79 | Confident | 63.7 | Low | 83 Ų | 83 | 92.7 Ų | 92.7 | 58% | 0.58 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 136.3 | 179.8 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | R27 | S25-R27 PolarHBondContact O-NE 3.26Å; S25-R27 PolarHBondContact O-NH2 2.8Å; S25-R27 VanDerWaalsContact O-NH2 3.16Å |
| 26 | G | 76.1 | Confident | 65.8 | Low | 23 Ų | 23 | 90.3 Ų | 90.3 | 24% | 0.237 | 48% | 0.482 | C | S | . | . | trans | -61.1 | 147.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q47 T49 | G26-Q47 PolarHBondContact N-O 3.32Å; G26-T49 CarbonylContact C-O 3.6Å; G26-T49 VanDerWaalsContact CA-O 3.23Å; G26-T49 WeakPolarHBondContact CA-O 3.44Å | ||
| 27 | R | 82.4 | Confident | 68.1 | Low | 86 Ų | 86 | 85.5 Ų | 85.5 | 33% | 0.325 | 46% | 0.458 | S | S | . | . | trans | -165.5 | 174.4 | -171.9 | 68.8 | -165.9 | 84.2 | 153.4 | 15.7 | 111.6 | S25 V29 S39 L40 T49 T51 | S25-R27 PolarHBondContact O-NE 3.26Å; S25-R27 PolarHBondContact O-NH2 2.8Å; S25-R27 VanDerWaalsContact O-NH2 3.16Å; R27-V29 HydrophobicContact CG-CG2 4.08Å; R27-S39 VanDerWaalsContact NH1-CB 3.32Å; R27-S39 PolarHBondContact NH1-O 3.19Å; R27-S39 PolarHBondContact NH1-OG 2.69Å; R27-S39 PolarHBondContact NH2-O 2.85Å; R27-L40 VanDerWaalsContact NH2-CD2 3.28Å; R27-T49 PolarHBondContact N-O 3.22Å; R27-T51 PolarHBondContact O-N 3.12Å | ||
| 28 | L | 83.3 | Confident | 70.3 | Confident | 95 Ų | 95 | 81 Ų | 81 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131 | 166.8 | -174.4 | 150.9 | 0 | 0 | 0 | 111 | D30 T51 | L28-D30 HydrophobicContact CD2-CB 4.24Å; L28-T51 CarbonylContact C-O 3.55Å; L28-T51 WeakPolarHBondContact CA-O 3.38Å; L28-T51 HydrophobicContact CD1-CG2 4.24Å; L28-T51 HydrophobicContact CG-CG2 4.32Å |
| 29 | V | 86.1 | Confident | 72.7 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.024 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 111 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | R27 L31 L37 L40 L50 T51 I52 R53 | R27-V29 HydrophobicContact CG-CG2 4.08Å; V29-L31 HydrophobicContact CG1-CD2 3.94Å; V29-L31 HydrophobicContact CG1-CG 4.38Å; V29-L37 HydrophobicContact CG1-CD1 4.45Å; V29-L40 HydrophobicContact CG2-CD1 3.78Å; V29-L50 HydrophobicContact CG2-CD1 4.18Å; V29-T51 PolarHBondContact N-O 3.17Å; V29-I52 HydrophobicContact CB-CD1 3.94Å; V29-I52 HydrophobicContact CG1-CD1 4.45Å; V29-I52 HydrophobicContact CG2-CD1 4.2Å; V29-R53 PolarHBondContact O-N 3.3Å |
| 30 | D | 85.2 | Confident | 75.2 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 106.2 | 173.8 | -174.7 | -14.1 | 0 | 0 | 0 | 108.7 | L28 R32 R33 N54 | L28-D30 HydrophobicContact CD2-CB 4.24Å; D30-R32 PolarHBondContact O-N 2.95Å; D30-R32 VanDerWaalsContact O-N 3.15Å; D30-R32 WeakPolarHBondContact OD1-CB 3.24Å; D30-R32 IonicContact OD1-CZ 2.73Å; D30-R32 PolarHBondContact OD1-N 3.04Å; D30-R32 IonicContact OD1-NE 3.62Å; D30-R32 PolarHBondContact OD1-NE 3.29Å; D30-R32 IonicContact OD1-NH2 2.98Å; D30-R32 IonicContact OD2-CZ 2.7Å; D30-R32 IonicContact OD2-NE 3.53Å; D30-R32 PolarHBondContact OD2-NE 3.36Å; D30-R32 IonicContact OD2-NH2 2.63Å; D30-R32 PolarHBondContact OD2-NH2 2.82Å; D30-R33 WeakPolarHBondContact O-CB 3.5Å; D30-R33 PolarHBondContact O-N 3.01Å; D30-N54 PolarHBondContact OD1-ND2 2.81Å |
| 31 | L | 84.4 | Confident | 77.4 | Confident | 30 Ų | 30 | 71.1 Ų | 71.1 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.1 | -170.8 | -68.7 | 170.6 | 0 | 0 | 0 | 113.6 | V29 R33 L37 I52 R53 L55 F91 | V29-L31 HydrophobicContact CG1-CD2 3.94Å; V29-L31 HydrophobicContact CG1-CG 4.38Å; L31-R33 PolarHBondContact O-N 2.93Å; L31-R33 VanDerWaalsContact O-N 3.17Å; L31-L37 HydrophobicContact CD2-CD1 4.34Å; L31-I52 HydrophobicContact CD1-CG2 3.7Å; L31-I52 HydrophobicContact CG-CG2 4.32Å; L31-R53 PolarHBondContact N-O 3.37Å; L31-L55 HydrophobicContact CD1-CB 4.15Å; L31-L55 HydrophobicContact CD1-CD1 3.56Å; L31-L55 HydrophobicContact CD1-CG 4.48Å; L31-F91 HydrophobicContact CD1-CE2 4.14Å; L31-F91 HydrophobicContact CD1-CZ 4.24Å |
| 32 | R | 80.2 | Confident | 79.4 | Confident | 171 Ų | 171 | 72 Ų | 72 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -11.4 | 168 | -60.1 | 175.6 | -61.1 | -179.5 | 0.2 | 113.2 | D30 N54 | D30-R32 PolarHBondContact O-N 2.95Å; D30-R32 VanDerWaalsContact O-N 3.15Å; D30-R32 WeakPolarHBondContact OD1-CB 3.24Å; D30-R32 IonicContact OD1-CZ 2.73Å; D30-R32 PolarHBondContact OD1-N 3.04Å; D30-R32 IonicContact OD1-NE 3.62Å; D30-R32 PolarHBondContact OD1-NE 3.29Å; D30-R32 IonicContact OD1-NH2 2.98Å; D30-R32 IonicContact OD2-CZ 2.7Å; D30-R32 IonicContact OD2-NE 3.53Å; D30-R32 PolarHBondContact OD2-NE 3.36Å; D30-R32 IonicContact OD2-NH2 2.63Å; D30-R32 PolarHBondContact OD2-NH2 2.82Å; R32-N54 HydrophobicContact CG-CB 3.74Å; R32-N54 PolarHBondContact NE-ND2 3.46Å; R32-N54 PolarHBondContact NH2-ND2 2.98Å |
| 33 | R | 79.3 | Confident | 80.4 | Confident | 167 Ų | 167 | 68.1 Ų | 68.1 | 63% | 0.63 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -102.8 | 119.8 | 175 | -63.6 | 179.7 | -177.3 | 179.3 | 1.4 | 109.3 | D30 L31 T36 | D30-R33 WeakPolarHBondContact O-CB 3.5Å; D30-R33 PolarHBondContact O-N 3.01Å; L31-R33 PolarHBondContact O-N 2.93Å; L31-R33 VanDerWaalsContact O-N 3.17Å; R33-T36 HydrophobicContact CB-CG2 3.62Å; R33-T36 WeakPolarHBondContact O-CG2 3.38Å; R33-T36 PolarHBondContact O-OG1 3.41Å |
| 34 | P | 71.6 | Confident | 80.8 | Confident | 114 Ų | 114 | 63.7 Ų | 63.7 | 74% | 0.74 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 157.5 | 180 | 26.2 | -34.5 | 0 | 0 | 0 | 111.6 | T36 | P34-T36 PolarHBondContact O-N 2.99Š|
| 35 | N | 71.8 | Confident | 80.8 | Confident | 138 Ų | 138 | 62.9 Ų | 62.9 | 74% | 0.738 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 1 | 179 | -58.5 | -10.8 | 0 | 0 | 0 | 116.6 | L37 S38 | N35-L37 VanDerWaalsContact C-N 3.27Å; N35-L37 PolarHBondContact O-N 3.42Å; N35-S38 WeakPolarHBondContact O-CB 3.41Å; N35-S38 PolarHBondContact O-N 3.18Å; N35-S38 PolarHBondContact O-OG 2.79Å |
| 36 | T | 77.7 | Confident | 81.1 | Confident | 41 Ų | 41 | 59 Ų | 59 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -56.4 | -38.4 | 179 | 44.7 | 0 | 0 | 0 | 0 | 113.6 | R33 P34 S38 S39 | R33-T36 HydrophobicContact CB-CG2 3.62Å; R33-T36 WeakPolarHBondContact O-CG2 3.38Å; R33-T36 PolarHBondContact O-OG1 3.41Å; P34-T36 PolarHBondContact O-N 2.99Å; T36-S38 VanDerWaalsContact C-N 3.34Å; T36-S38 PolarHBondContact O-N 3.41Å; T36-S39 PolarHBondContact O-OG 2.04Å |
| 37 | L | 80.3 | Confident | 81.4 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -69.4 | -24.9 | -178.9 | -153.9 | 72.6 | 0 | 0 | 0 | 114.2 | V29 L31 N35 S39 L40 T41 C65 L67 F91 | V29-L37 HydrophobicContact CG1-CD1 4.45Å; L31-L37 HydrophobicContact CD2-CD1 4.34Å; N35-L37 VanDerWaalsContact C-N 3.27Å; N35-L37 PolarHBondContact O-N 3.42Å; L37-S39 PolarHBondContact O-N 3.38Å; L37-L40 PolarHBondContact O-N 2.92Å; L37-T41 PolarHBondContact O-N 3.1Å; L37-C65 HydrophobicContact CD2-CB 3.84Å; L37-L67 HydrophobicContact CD1-CD1 4Å; L37-L67 HydrophobicContact CD1-CD2 3.8Å; L37-L67 HydrophobicContact CD1-CG 3.92Å; L37-L67 HydrophobicContact CD2-CD2 4.24Å; L37-L67 HydrophobicContact CD2-CG 4.43Å; L37-L67 HydrophobicContact CG-CD2 3.79Å; L37-L67 HydrophobicContact CG-CG 4.29Å; L37-F91 HydrophobicContact CD1-CE2 4.34Å; L37-F91 HydrophobicContact CD1-CZ 3.83Å; L37-F91 HydrophobicContact CD2-CE2 4.45Å |
| 38 | S | 79 | Confident | 81 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -54.7 | -26.6 | -175.4 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | N35 T36 L40 T41 | N35-S38 WeakPolarHBondContact O-CB 3.41Å; N35-S38 PolarHBondContact O-N 3.18Å; N35-S38 PolarHBondContact O-OG 2.79Å; T36-S38 VanDerWaalsContact C-N 3.34Å; T36-S38 PolarHBondContact O-N 3.41Å; S38-L40 VanDerWaalsContact C-N 3.28Å; S38-L40 PolarHBondContact O-N 2.85Å; S38-T41 PolarHBondContact O-OG1 3.43Å |
| 39 | S | 78.4 | Confident | 80.9 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 43% | 0.427 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -90.9 | 14.7 | -179.5 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | R27 T36 L37 | R27-S39 VanDerWaalsContact NH1-CB 3.32Å; R27-S39 PolarHBondContact NH1-O 3.19Å; R27-S39 PolarHBondContact NH1-OG 2.69Å; R27-S39 PolarHBondContact NH2-O 2.85Å; T36-S39 PolarHBondContact O-OG 2.04Å; L37-S39 PolarHBondContact O-N 3.38Å |
| 40 | L | 84.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | -12.2 | 175.1 | -72.4 | 175.5 | 0 | 0 | 0 | 114 | C24 R27 V29 L37 S38 N42 C43 I46 L50 L67 | C24-L40 HydrophobicContact CB-CD2 4.23Å; R27-L40 VanDerWaalsContact NH2-CD2 3.28Å; V29-L40 HydrophobicContact CG2-CD1 3.78Å; L37-L40 PolarHBondContact O-N 2.92Å; S38-L40 VanDerWaalsContact C-N 3.28Å; S38-L40 PolarHBondContact O-N 2.85Å; L40-N42 VanDerWaalsContact C-N 3.27Å; L40-N42 PolarHBondContact O-N 3.48Å; L40-C43 VanDerWaalsContact CA-SG 3.59Å; L40-C43 PolarHBondContact O-N 2.79Å; L40-C43 PolarHBondContact O-SG 2.98Å; L40-I46 HydrophobicContact CD2-CD1 3.92Å; L40-I46 HydrophobicContact CD2-CG1 4.3Å; L40-L50 HydrophobicContact CD1-CD1 3.78Å; L40-L67 HydrophobicContact CB-CD2 3.67Å |
| 41 | T | 82.5 | Confident | 81.2 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 29% | 0.288 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.5 | -173 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | L37 S38 N69 | L37-T41 PolarHBondContact O-N 3.1Å; S38-T41 PolarHBondContact O-OG1 3.43Å; T41-N69 PolarHBondContact O-ND2 2.99Å |
| 42 | N | 83.2 | Confident | 81.5 | Confident | 118 Ų | 118 | 53.4 Ų | 53.4 | 63% | 0.631 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 0.8 | -172.6 | -62.4 | 12.7 | 0 | 0 | 0 | 113.3 | L40 | L40-N42 VanDerWaalsContact C-N 3.27Å; L40-N42 PolarHBondContact O-N 3.48Å |
| 43 | C | 85.3 | Confident | 81.9 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | trans | -87.7 | 137.4 | -173.7 | -46.4 | 0 | 0 | 0 | 0 | 111.2 | E22 C24 L40 N69 V70 | E22-C43 CarbonylContact O-C 3.5Å; C24-C43 HydrophobicContact CB-CB 3.64Å; C24-C43 WeakPolarHBondContact CB-SG 3.44Å; C24-C43 WeakPolarHBondContact SG-CB 3.35Å; C24-C43 CovalentContact SG-SG 2.02Å; C24-C43 PolarHBondContact SG-SG 3.47Å; L40-C43 VanDerWaalsContact CA-SG 3.59Å; L40-C43 PolarHBondContact O-N 2.79Å; L40-C43 PolarHBondContact O-SG 2.98Å; C43-N69 CarbonylContact O-C 3.11Å; C43-N69 WeakPolarHBondContact O-CB 3.25Å; C43-V70 WeakPolarHBondContact O-CA 3.43Å; C43-V70 WeakPolarHBondContact O-CG2 3.47Å; C43-V70 PolarHBondContact O-N 3.36Å | ||
| 44 | S | 84.8 | Confident | 82.2 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -95.8 | -32.4 | 170.9 | 63.6 | 0 | 0 | 0 | 0 | 113 | E22 N69 V71 E72 | E22-S44 VanDerWaalsContact CB-OG 3.25Å; E22-S44 WeakPolarHBondContact CB-OG 3.33Å; E22-S44 VanDerWaalsContact CD-OG 3.29Å; E22-S44 WeakPolarHBondContact CG-OG 3.39Å; E22-S44 PolarHBondContact O-N 2.71Å; E22-S44 PolarHBondContact O-OG 3.45Å; E22-S44 WeakPolarHBondContact OE1-CB 3.49Å; E22-S44 PolarHBondContact OE1-OG 2.92Å; S44-N69 VanDerWaalsContact CA-O 3.32Å; S44-N69 WeakPolarHBondContact CA-O 3.44Å; S44-V71 PolarHBondContact O-N 3.46Å; S44-E72 PolarHBondContact O-N 3.46Å; S44-E72 VanDerWaalsContact O-N 3.17Å |
| 45 | S | 82.9 | Confident | 83 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.3 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | E22 Y23 C24 Q47 E72 | E22-S45 PolarHBondContact O-N 3.31Å; Y23-S45 WeakPolarHBondContact CA-O 3.31Å; C24-S45 PolarHBondContact N-O 3.38Å; S45-Q47 PolarHBondContact OG-NE2 3.39Å; S45-E72 PolarHBondContact OG-OE2 2.95Å |
| 46 | I | 84.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 117.2 | 177.5 | -64.6 | 177.9 | 0 | 0 | 0 | 110.1 | C24 L40 L50 V70 E72 I73 T74 | C24-I46 CarbonylContact O-C 3.57Å; C24-I46 VanDerWaalsContact O-CA 3.28Å; C24-I46 WeakPolarHBondContact O-CA 3.34Å; L40-I46 HydrophobicContact CD2-CD1 3.92Å; L40-I46 HydrophobicContact CD2-CG1 4.3Å; I46-L50 HydrophobicContact CD1-CD2 3.78Å; I46-L50 HydrophobicContact CG2-CB 4.35Å; I46-V70 HydrophobicContact CD1-CG1 3.89Å; I46-V70 HydrophobicContact CD1-CG2 3.77Å; I46-V70 HydrophobicContact CG1-CG1 4.18Å; I46-V70 HydrophobicContact CG1-CG2 4.27Å; I46-E72 PolarHBondContact N-O 2.96Å; I46-I73 HydrophobicContact CB-CG1 4.26Å; I46-I73 WeakPolarHBondContact O-CA 3.4Å; I46-T74 PolarHBondContact O-N 2.95Å; I46-T74 PolarHBondContact O-OG1 2.64Å |
| 47 | Q | 80.9 | Confident | 84 | Confident | 48 Ų | 48 | 32.7 Ų | 32.7 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 110.2 | -172.6 | -65.1 | -60.2 | -28.8 | 0 | 0 | 111.7 | C24 G26 S45 T74 | C24-Q47 PolarHBondContact O-N 2.84Å; G26-Q47 PolarHBondContact N-O 3.32Å; S45-Q47 PolarHBondContact OG-NE2 3.39Å; Q47-T74 WeakPolarHBondContact CA-OG1 3.34Å; Q47-T74 PolarHBondContact OE1-OG1 2.98Å |
| 48 | G | 74.8 | Confident | 84 | Confident | 23 Ų | 23 | 34.1 Ų | 34.1 | 24% | 0.237 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 91.6 | -165.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T74 G75 | G48-T74 PolarHBondContact N-OG1 3.46Å; G48-G75 WeakPolarHBondContact O-CA 3.32Å; G48-G75 PolarHBondContact O-N 2.9Å; G48-G75 VanDerWaalsContact O-N 3.13Å |
| 49 | T | 81.7 | Confident | 84.1 | Confident | 54 Ų | 54 | 30.7 Ų | 30.7 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | trans | -81.8 | 135.9 | -171.4 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | G26 R27 S76 I78 | G26-T49 CarbonylContact C-O 3.6Å; G26-T49 VanDerWaalsContact CA-O 3.23Å; G26-T49 WeakPolarHBondContact CA-O 3.44Å; R27-T49 PolarHBondContact N-O 3.22Å; T49-S76 CarbonylContact C-O 3.59Å; T49-S76 VanDerWaalsContact CA-O 3.31Å; T49-S76 WeakPolarHBondContact CA-O 3.31Å; T49-S76 WeakPolarHBondContact CG2-O 3.49Å; T49-S76 PolarHBondContact OG1-N 3.31Å; T49-S76 VanDerWaalsContact OG1-N 3.1Å; T49-I78 HydrophobicContact CG2-CD1 3.85Å; T49-I78 HydrophobicContact CG2-CG1 4.16Å | ||
| 50 | L | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.3 | 176.7 | -179.1 | 66 | 0 | 0 | 0 | 110.2 | V29 L40 I46 I52 I73 S76 L77 I78 F92 | V29-L50 HydrophobicContact CG2-CD1 4.18Å; L40-L50 HydrophobicContact CD1-CD1 3.78Å; I46-L50 HydrophobicContact CD1-CD2 3.78Å; I46-L50 HydrophobicContact CG2-CB 4.35Å; L50-I52 HydrophobicContact CD1-CD1 4.05Å; L50-I52 HydrophobicContact CD2-CD1 4.15Å; L50-I52 HydrophobicContact CG-CD1 3.92Å; L50-I52 HydrophobicContact CG-CG1 4.45Å; L50-I73 HydrophobicContact CB-CD1 4.42Å; L50-I73 HydrophobicContact CD2-CD1 3.92Å; L50-S76 PolarHBondContact N-O 3.19Å; L50-L77 HydrophobicContact CB-CD1 4.46Å; L50-L77 HydrophobicContact CD2-CD1 4.22Å; L50-L77 HydrophobicContact CG-CD1 4.41Å; L50-I78 PolarHBondContact O-N 2.9Å; L50-F92 HydrophobicContact CD2-CE1 3.99Å; L50-F92 HydrophobicContact CD2-CZ 3.72Å |
| 51 | T | 88.8 | Confident | 83.7 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 106 | -179.4 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | R27 L28 V29 R53 I78 | R27-T51 PolarHBondContact O-N 3.12Å; L28-T51 CarbonylContact C-O 3.55Å; L28-T51 WeakPolarHBondContact CA-O 3.38Å; L28-T51 HydrophobicContact CD1-CG2 4.24Å; L28-T51 HydrophobicContact CG-CG2 4.32Å; V29-T51 PolarHBondContact N-O 3.17Å; T51-R53 HydrophobicContact CG2-CG 4.13Å; T51-I78 CarbonylContact C-O 3.49Å; T51-I78 WeakPolarHBondContact CA-O 3.48Å; T51-I78 HydrophobicContact CG2-CB 4.06Å; T51-I78 HydrophobicContact CG2-CG2 4Å |
| 52 | I | 89.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.1 | 175.1 | -49.8 | -56.5 | 0 | 0 | 0 | 109.3 | V29 L31 L50 L55 L77 I78 V79 E80 F91 F92 | V29-I52 HydrophobicContact CB-CD1 3.94Å; V29-I52 HydrophobicContact CG1-CD1 4.45Å; V29-I52 HydrophobicContact CG2-CD1 4.2Å; L31-I52 HydrophobicContact CD1-CG2 3.7Å; L31-I52 HydrophobicContact CG-CG2 4.32Å; L50-I52 HydrophobicContact CD1-CD1 4.05Å; L50-I52 HydrophobicContact CD2-CD1 4.15Å; L50-I52 HydrophobicContact CG-CD1 3.92Å; L50-I52 HydrophobicContact CG-CG1 4.45Å; I52-L55 HydrophobicContact CG2-CB 4.36Å; I52-L77 HydrophobicContact CG1-CD1 4.49Å; I52-I78 PolarHBondContact N-O 2.61Å; I52-V79 HydrophobicContact CB-CG2 4.46Å; I52-V79 WeakPolarHBondContact O-CA 3.25Å; I52-E80 PolarHBondContact O-N 2.85Å; I52-F91 HydrophobicContact CD1-CE1 4.05Å; I52-F91 HydrophobicContact CD1-CZ 4.31Å; I52-F91 HydrophobicContact CG1-CE1 4.03Å; I52-F91 HydrophobicContact CG2-CE1 4.36Å; I52-F91 HydrophobicContact CG2-CZ 4.27Å; I52-F92 HydrophobicContact CG1-CZ 4.35Å |
| 53 | R | 88.9 | Confident | 82.3 | Confident | 43 Ų | 43 | 32.5 Ų | 32.5 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.4 | 176.2 | -63.7 | -171.3 | 64.3 | 155.9 | 3.1 | 111.6 | V29 L31 T51 E80 N81 | V29-R53 PolarHBondContact O-N 3.3Å; L31-R53 PolarHBondContact N-O 3.37Å; T51-R53 HydrophobicContact CG2-CG 4.13Å; R53-E80 WeakPolarHBondContact CA-O 3.43Å; R53-E80 HydrophobicContact CG-CB 4.32Å; R53-E80 IonicContact CZ-OE2 3.84Å; R53-E80 IonicContact NE-OE2 2.74Å; R53-E80 IonicContact NH1-OE2 3.29Å; R53-N81 PolarHBondContact NH2-ND2 2.95Å |
| 54 | N | 86.4 | Confident | 81.6 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 62.9 | 41.6 | 175.6 | -44 | -77.1 | 0 | 0 | 0 | 113.4 | D30 R32 D56 E80 N81 | D30-N54 PolarHBondContact OD1-ND2 2.81Å; R32-N54 HydrophobicContact CG-CB 3.74Å; R32-N54 PolarHBondContact NE-ND2 3.46Å; R32-N54 PolarHBondContact NH2-ND2 2.98Å; N54-D56 PolarHBondContact O-N 3.22Å; N54-E80 PolarHBondContact N-O 3.38Å; N54-N81 WeakPolarHBondContact CA-O 3.49Å |
| 55 | L | 87.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | -63.5 | 122.3 | 170.4 | -176.7 | 72.8 | 0 | 0 | 0 | 110.3 | L31 I52 C59 G82 N83 C84 L88 F91 | L31-L55 HydrophobicContact CD1-CB 4.15Å; L31-L55 HydrophobicContact CD1-CD1 3.56Å; L31-L55 HydrophobicContact CD1-CG 4.48Å; I52-L55 HydrophobicContact CG2-CB 4.36Å; L55-C59 HydrophobicContact CD1-CB 3.67Å; L55-G82 CarbonylContact O-C 3.16Å; L55-G82 VanDerWaalsContact O-C 3.23Å; L55-G82 WeakPolarHBondContact O-CA 3.36Å; L55-N83 PolarHBondContact O-N 3.43Å; L55-C84 HydrophobicContact CD2-CB 4.21Å; L55-C84 HydrophobicContact CG-CB 4.05Å; L55-C84 PolarHBondContact O-N 3.44Å; L55-L88 HydrophobicContact CD2-CD2 3.53Å; L55-F91 HydrophobicContact CD1-CD2 3.68Å; L55-F91 HydrophobicContact CD1-CE2 3.8Å; L55-F91 HydrophobicContact CD1-CG 4.17Å; L55-F91 HydrophobicContact CD1-CZ 4.4Å | ||
| 56 | D | 85.3 | Confident | 81.3 | Confident | 67 Ų | 67 | 43.9 Ų | 43.9 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | trans | -115.3 | -176.8 | 176.8 | 67.4 | 38.1 | 0 | 0 | 0 | 112.2 | N54 S58 C59 | N54-D56 PolarHBondContact O-N 3.22Å; D56-S58 PolarHBondContact O-N 3.34Å; D56-S58 VanDerWaalsContact OD1-CB 3.29Å; D56-S58 WeakPolarHBondContact OD1-CB 3.23Å; D56-S58 PolarHBondContact OD1-N 2.94Å; D56-S58 PolarHBondContact OD1-OG 3.38Å; D56-C59 PolarHBondContact O-N 3.14Å | ||
| 57 | D | 85.3 | Confident | 81.5 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -63.4 | -24.1 | -176.4 | -68.7 | -52.6 | 0 | 0 | 0 | 113.6 | C59 C60 L61 E62 S85 | D57-C59 PolarHBondContact O-N 2.66Å; D57-C60 PolarHBondContact O-N 3.18Å; D57-L61 HydrophobicContact CB-CB 4.42Å; D57-L61 HydrophobicContact CB-CD1 3.89Å; D57-L61 HydrophobicContact CB-CG 4.01Å; D57-L61 WeakPolarHBondContact O-CA 3.45Å; D57-L61 WeakPolarHBondContact O-CB 3.06Å; D57-L61 PolarHBondContact O-N 3.31Å; D57-L61 WeakPolarHBondContact OD1-CD1 3.19Å; D57-E62 PolarHBondContact O-N 2.89Å; D57-S85 WeakPolarHBondContact OD1-CB 3.48Å; D57-S85 PolarHBondContact OD1-N 3.48Å; D57-S85 PolarHBondContact OD1-OG 3.38Å |
| 58 | S | 79.6 | Confident | 81.8 | Confident | 48 Ų | 48 | 43.8 Ų | 43.8 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -66.8 | -19.9 | -179.2 | 71.1 | 0 | 0 | 0 | 0 | 113.7 | D56 C65 | D56-S58 PolarHBondContact O-N 3.34Å; D56-S58 VanDerWaalsContact OD1-CB 3.29Å; D56-S58 WeakPolarHBondContact OD1-CB 3.23Å; D56-S58 PolarHBondContact OD1-N 2.94Å; D56-S58 PolarHBondContact OD1-OG 3.38Å; S58-C65 PolarHBondContact O-SG 2.79Å; S58-C65 VanDerWaalsContact O-SG 3.4Å |
| 59 | C | 80.7 | Confident | 82.4 | Confident | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -112.2 | -2.2 | 179.3 | -54.5 | 0 | 0 | 0 | 0 | 113.9 | L55 D56 D57 C65 F91 | L55-C59 HydrophobicContact CD1-CB 3.67Å; D56-C59 PolarHBondContact O-N 3.14Å; D57-C59 PolarHBondContact O-N 2.66Å; C59-C65 WeakPolarHBondContact CA-SG 3.31Å; C59-C65 HydrophobicContact CB-CB 3.8Å; C59-C65 WeakPolarHBondContact CB-SG 3.47Å; C59-C65 WeakPolarHBondContact SG-CB 3.41Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 3.46Å; C59-F91 HydrophobicContact CB-CD2 3.82Å; C59-F91 HydrophobicContact CB-CE2 3.99Å |
| 60 | C | 78.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -24.8 | -178.7 | 82.5 | 0 | 0 | 0 | 0 | 114.5 | D57 C84 K90 | D57-C60 PolarHBondContact O-N 3.18Å; C60-C84 HydrophobicContact CB-CB 4.05Å; C60-C84 WeakPolarHBondContact CB-SG 3.3Å; C60-C84 WeakPolarHBondContact SG-CB 3.05Å; C60-C84 CovalentContact SG-SG 2.02Å; C60-C84 PolarHBondContact SG-SG 2.98Å; C60-K90 WeakPolarHBondContact O-CD 3.32Å; C60-K90 WeakPolarHBondContact O-CG 3.45Å |
| 61 | L | 77.4 | Confident | 82.6 | Confident | 78 Ų | 78 | 45.9 Ų | 45.9 | 41% | 0.408 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -36.9 | 167.1 | -58.1 | -170.7 | 0 | 0 | 0 | 111.2 | D57 K90 | D57-L61 HydrophobicContact CB-CB 4.42Å; D57-L61 HydrophobicContact CB-CD1 3.89Å; D57-L61 HydrophobicContact CB-CG 4.01Å; D57-L61 WeakPolarHBondContact O-CA 3.45Å; D57-L61 WeakPolarHBondContact O-CB 3.06Å; D57-L61 PolarHBondContact O-N 3.31Å; D57-L61 WeakPolarHBondContact OD1-CD1 3.19Å; L61-K90 PolarHBondContact O-NZ 2.85Å |
| 62 | E | 71.2 | Confident | 82.4 | Confident | 102 Ų | 102 | 46 Ų | 46 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -101.2 | 157.9 | 175.7 | -55.8 | -166.7 | 144.8 | 0 | 0 | 112.4 | D57 Y64 | D57-E62 PolarHBondContact O-N 2.89Å; E62-Y64 HydrophobicContact CB-CD2 3.72Å; E62-Y64 HydrophobicContact CB-CE2 3.93Å; E62-Y64 HydrophobicContact CG-CE2 4.45Å; E62-Y64 WeakPolarHBondContact OE2-CD2 3.14Å; E62-Y64 WeakPolarHBondContact OE2-CE2 3.27Å |
| 63 | S | 64.3 | Low | 82.3 | Confident | 82 Ų | 82 | 46 Ų | 46 | 57% | 0.573 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -88.3 | -1.1 | -168.8 | -52 | 0 | 0 | 0 | 0 | 114.4 | C65 N66 | S63-C65 PolarHBondContact O-N 3.14Å; S63-N66 PolarHBondContact O-ND2 2.91Å |
| 64 | Y | 70 | Confident | 81.8 | Confident | 193 Ų | 193 | 43.9 Ų | 43.9 | 76% | 0.757 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -76.2 | -22.4 | -162.7 | -58.1 | -63.5 | 0 | 0 | 0 | 115 | E62 | E62-Y64 HydrophobicContact CB-CD2 3.72Å; E62-Y64 HydrophobicContact CB-CE2 3.93Å; E62-Y64 HydrophobicContact CG-CE2 4.45Å; E62-Y64 WeakPolarHBondContact OE2-CD2 3.14Å; E62-Y64 WeakPolarHBondContact OE2-CE2 3.27Å |
| 65 | C | 78.5 | Confident | 81.4 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -128.9 | 87.6 | 175.1 | 23.4 | 0 | 0 | 0 | 0 | 110.3 | L37 S58 C59 S63 F91 | L37-C65 HydrophobicContact CD2-CB 3.84Å; S58-C65 PolarHBondContact O-SG 2.79Å; S58-C65 VanDerWaalsContact O-SG 3.4Å; C59-C65 WeakPolarHBondContact CA-SG 3.31Å; C59-C65 HydrophobicContact CB-CB 3.8Å; C59-C65 WeakPolarHBondContact CB-SG 3.47Å; C59-C65 WeakPolarHBondContact SG-CB 3.41Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 3.46Å; S63-C65 PolarHBondContact O-N 3.14Å; C65-F91 WeakPolarHBondContact O-CD2 3.2Å; C65-F91 WeakPolarHBondContact O-CE2 3.06Å |
| 66 | N | 84.3 | Confident | 81.3 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | trans | -123.4 | 162.2 | 175.8 | 69.3 | 72.6 | 0 | 0 | 0 | 111.3 | S63 S68 K90 | S63-N66 PolarHBondContact O-ND2 2.91Å; N66-S68 VanDerWaalsContact OD1-CB 3.29Å; N66-S68 WeakPolarHBondContact OD1-CB 3.31Å; N66-S68 PolarHBondContact OD1-N 3.26Å; N66-S68 VanDerWaalsContact OD1-N 3.11Å; N66-S68 PolarHBondContact OD1-OG 2.79Å; N66-K90 WeakPolarHBondContact CB-O 3.43Å | ||
| 67 | L | 88.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -114.3 | 55.4 | 173.3 | -69.9 | 176.5 | 0 | 0 | 0 | 110.2 | L37 L40 N69 V70 F91 F92 | L37-L67 HydrophobicContact CD1-CD1 4Å; L37-L67 HydrophobicContact CD1-CD2 3.8Å; L37-L67 HydrophobicContact CD1-CG 3.92Å; L37-L67 HydrophobicContact CD2-CD2 4.24Å; L37-L67 HydrophobicContact CD2-CG 4.43Å; L37-L67 HydrophobicContact CG-CD2 3.79Å; L37-L67 HydrophobicContact CG-CG 4.29Å; L40-L67 HydrophobicContact CB-CD2 3.67Å; L67-N69 PolarHBondContact O-N 2.84Å; L67-N69 VanDerWaalsContact O-N 3.1Å; L67-V70 HydrophobicContact CB-CB 4.33Å; L67-V70 HydrophobicContact CB-CG2 3.89Å; L67-V70 PolarHBondContact O-N 3.09Å; L67-F91 HydrophobicContact CD1-CE1 3.99Å; L67-F91 HydrophobicContact CD1-CZ 4.34Å; L67-F91 HydrophobicContact CG-CE1 4.5Å; L67-F91 PolarHBondContact N-O 3.42Å; L67-F92 HydrophobicContact CB-CD1 4.2Å; L67-F92 HydrophobicContact CB-CE1 4.25Å; L67-F92 HydrophobicContact CD1-CD1 4.38Å; L67-F92 HydrophobicContact CD1-CE1 3.62Å; L67-F92 HydrophobicContact CD1-CZ 4.21Å | ||
| 68 | S | 86.3 | Confident | 81.7 | Confident | 45 Ų | 45 | 36.9 Ų | 36.9 | 32% | 0.315 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.8 | -171.9 | -71.5 | 0 | 0 | 0 | 0 | 115.6 | N66 N94 | N66-S68 VanDerWaalsContact OD1-CB 3.29Å; N66-S68 WeakPolarHBondContact OD1-CB 3.31Å; N66-S68 PolarHBondContact OD1-N 3.26Å; N66-S68 VanDerWaalsContact OD1-N 3.11Å; N66-S68 PolarHBondContact OD1-OG 2.79Å; S68-N94 PolarHBondContact O-ND2 3.03Å |
| 69 | N | 87.5 | Confident | 82.2 | Confident | 90 Ų | 90 | 34.7 Ų | 34.7 | 48% | 0.481 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -21.5 | 178.9 | -68.6 | -43.8 | 0 | 0 | 0 | 113 | T41 C43 S44 L67 V71 | T41-N69 PolarHBondContact O-ND2 2.99Å; C43-N69 CarbonylContact O-C 3.11Å; C43-N69 WeakPolarHBondContact O-CB 3.25Å; S44-N69 VanDerWaalsContact CA-O 3.32Å; S44-N69 WeakPolarHBondContact CA-O 3.44Å; L67-N69 PolarHBondContact O-N 2.84Å; L67-N69 VanDerWaalsContact O-N 3.1Å; N69-V71 PolarHBondContact O-N 3.41Å |
| 70 | V | 88.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -74.3 | 114.1 | -172.2 | 179.9 | 0 | 0 | 0 | 0 | 111 | C43 I46 L67 I73 N94 L95 | C43-V70 WeakPolarHBondContact O-CA 3.43Å; C43-V70 WeakPolarHBondContact O-CG2 3.47Å; C43-V70 PolarHBondContact O-N 3.36Å; I46-V70 HydrophobicContact CD1-CG1 3.89Å; I46-V70 HydrophobicContact CD1-CG2 3.77Å; I46-V70 HydrophobicContact CG1-CG1 4.18Å; I46-V70 HydrophobicContact CG1-CG2 4.27Å; L67-V70 HydrophobicContact CB-CB 4.33Å; L67-V70 HydrophobicContact CB-CG2 3.89Å; L67-V70 PolarHBondContact O-N 3.09Å; V70-I73 HydrophobicContact CG1-CG1 4.36Å; V70-N94 CarbonylContact O-C 3.45Å; V70-L95 HydrophobicContact CG1-CD1 4.37Å; V70-L95 WeakPolarHBondContact O-CA 3.47Å; V70-L95 PolarHBondContact O-N 2.96Å | ||
| 71 | V | 86.5 | Confident | 82.7 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | trans | -105.1 | -26.5 | 177.1 | -175 | 0 | 0 | 0 | 0 | 111.7 | S44 N69 N94 T96 I97 L258 | S44-V71 PolarHBondContact O-N 3.46Å; N69-V71 PolarHBondContact O-N 3.41Å; V71-N94 HydrophobicContact CG2-CB 4.38Å; V71-T96 PolarHBondContact O-N 2.83Å; V71-I97 PolarHBondContact O-N 2.94Å; V71-L258 HydrophobicContact CG1-CD1 3.5Å; V71-L258 VanDerWaalsContact CG1-CD1 3.5Å; V71-L258 HydrophobicContact CG1-CD2 3.94Å; V71-L258 HydrophobicContact CG1-CG 4.29Å | ||
| 72 | E | 84.8 | Confident | 82.8 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.5 | -176 | 176.2 | 175 | -109.3 | 0 | 0 | 113.4 | S44 S45 I46 T74 I97 R99 | S44-E72 PolarHBondContact O-N 3.46Å; S44-E72 VanDerWaalsContact O-N 3.17Å; S45-E72 PolarHBondContact OG-OE2 2.95Å; I46-E72 PolarHBondContact N-O 2.96Å; E72-T74 HydrophobicContact CG-CG2 3.92Å; E72-T74 WeakPolarHBondContact OE2-CG2 3.25Å; E72-I97 WeakPolarHBondContact CA-O 3.16Å; E72-R99 IonicContact OE1-CZ 3.23Å; E72-R99 IonicContact OE1-NE 2.67Å; E72-R99 PolarHBondContact OE1-NE 3.29Å; E72-R99 IonicContact OE1-NH2 3.75Å; E72-R99 PolarHBondContact OE1-NH2 3.15Å; E72-R99 IonicContact OE2-NH2 2.64Å |
| 73 | I | 87.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.4 | 160.3 | -61.7 | 169 | 0 | 0 | 0 | 108 | I46 L50 V70 L77 F92 L95 I97 I98 R99 | I46-I73 HydrophobicContact CB-CG1 4.26Å; I46-I73 WeakPolarHBondContact O-CA 3.4Å; L50-I73 HydrophobicContact CB-CD1 4.42Å; L50-I73 HydrophobicContact CD2-CD1 3.92Å; V70-I73 HydrophobicContact CG1-CG1 4.36Å; I73-L77 HydrophobicContact CD1-CB 4.03Å; I73-L77 HydrophobicContact CD1-CD1 4.01Å; I73-L77 HydrophobicContact CD1-CD2 4.25Å; I73-L77 HydrophobicContact CD1-CG 4.31Å; I73-F92 HydrophobicContact CD1-CE1 4.49Å; I73-L95 HydrophobicContact CD1-CD1 4.04Å; I73-L95 HydrophobicContact CD1-CD2 3.89Å; I73-L95 HydrophobicContact CG1-CD1 3.91Å; I73-I97 PolarHBondContact N-O 2.99Å; I73-I98 HydrophobicContact CB-CG2 4.37Å; I73-I98 HydrophobicContact CG2-CG2 4.48Å; I73-I98 CarbonylContact O-C 3.59Å; I73-I98 VanDerWaalsContact O-CA 3.24Å; I73-I98 WeakPolarHBondContact O-CA 3.28Å; I73-R99 PolarHBondContact O-N 3.17Å |
| 74 | T | 79.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -81.7 | -27.2 | -176.4 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | I46 Q47 G48 E72 R99 S100 Q101 I103 | I46-T74 PolarHBondContact O-N 2.95Å; I46-T74 PolarHBondContact O-OG1 2.64Å; Q47-T74 WeakPolarHBondContact CA-OG1 3.34Å; Q47-T74 PolarHBondContact OE1-OG1 2.98Å; G48-T74 PolarHBondContact N-OG1 3.46Å; E72-T74 HydrophobicContact CG-CG2 3.92Å; E72-T74 WeakPolarHBondContact OE2-CG2 3.25Å; T74-R99 CarbonylContact O-C 3.57Å; T74-R99 WeakPolarHBondContact O-CB 3.41Å; T74-S100 PolarHBondContact O-N 2.68Å; T74-Q101 PolarHBondContact O-N 3.26Å; T74-I103 HydrophobicContact CG2-CD1 4.24Å; T74-I103 WeakPolarHBondContact OG1-CD1 3.44Å |
| 75 | G | 78.1 | Confident | 85.2 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -87 | -141.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G48 I98 S100 | G48-G75 WeakPolarHBondContact O-CA 3.32Å; G48-G75 PolarHBondContact O-N 2.9Å; G48-G75 VanDerWaalsContact O-N 3.13Å; G75-I98 VanDerWaalsContact O-CG2 3.28Å; G75-I98 WeakPolarHBondContact O-CG2 3.48Å; G75-S100 WeakPolarHBondContact O-CA 3.4Å; G75-S100 PolarHBondContact O-N 2.82Å |
| 76 | S | 84.2 | Confident | 85.6 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | trans | -96 | 153.3 | 175.7 | -50 | 0 | 0 | 0 | 0 | 111.9 | T49 L50 Y118 N119 | T49-S76 CarbonylContact C-O 3.59Å; T49-S76 VanDerWaalsContact CA-O 3.31Å; T49-S76 WeakPolarHBondContact CA-O 3.31Å; T49-S76 WeakPolarHBondContact CG2-O 3.49Å; T49-S76 PolarHBondContact OG1-N 3.31Å; T49-S76 VanDerWaalsContact OG1-N 3.1Å; L50-S76 PolarHBondContact N-O 3.19Å; S76-Y118 VanDerWaalsContact CB-O 3.26Å; S76-Y118 WeakPolarHBondContact CB-O 3.25Å; S76-Y118 PolarHBondContact OG-O 2.89Å; S76-N119 CarbonylContact C-O 3.54Å; S76-N119 WeakPolarHBondContact CA-O 3.34Å | ||
| 77 | L | 90.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125 | 163.5 | 176.4 | 57.8 | 0 | 0 | 0 | 109.6 | L50 I52 I73 V79 F92 L95 I98 N119 L120 I121 L132 | L50-L77 HydrophobicContact CB-CD1 4.46Å; L50-L77 HydrophobicContact CD2-CD1 4.22Å; L50-L77 HydrophobicContact CG-CD1 4.41Å; I52-L77 HydrophobicContact CG1-CD1 4.49Å; I73-L77 HydrophobicContact CD1-CB 4.03Å; I73-L77 HydrophobicContact CD1-CD1 4.01Å; I73-L77 HydrophobicContact CD1-CD2 4.25Å; I73-L77 HydrophobicContact CD1-CG 4.31Å; L77-V79 HydrophobicContact CD1-CG2 4.25Å; L77-V79 HydrophobicContact CG-CG2 4.32Å; L77-F92 HydrophobicContact CD1-CE2 3.75Å; L77-F92 HydrophobicContact CD1-CZ 3.79Å; L77-F92 HydrophobicContact CD2-CD2 4.15Å; L77-F92 HydrophobicContact CD2-CE2 3.75Å; L77-F92 HydrophobicContact CD2-CZ 4.35Å; L77-F92 HydrophobicContact CG-CE2 4.42Å; L77-L95 HydrophobicContact CD2-CD2 3.93Å; L77-I98 HydrophobicContact CB-CD1 4.03Å; L77-I98 HydrophobicContact CD2-CD1 4.23Å; L77-N119 PolarHBondContact N-O 3.48Å; L77-L120 HydrophobicContact CB-CD1 4.08Å; L77-L120 HydrophobicContact CD2-CD1 3.97Å; L77-L120 HydrophobicContact CG-CD1 3.98Å; L77-L120 WeakPolarHBondContact O-CA 3.38Å; L77-I121 PolarHBondContact O-N 3.22Å; L77-L132 HydrophobicContact CD2-CD1 4.28Å |
| 78 | I | 89.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.4 | 178.8 | -52.8 | -177.8 | 0 | 0 | 0 | 108.7 | T49 L50 T51 I52 E80 I115 I121 L803 | T49-I78 HydrophobicContact CG2-CD1 3.85Å; T49-I78 HydrophobicContact CG2-CG1 4.16Å; L50-I78 PolarHBondContact O-N 2.9Å; T51-I78 CarbonylContact C-O 3.49Å; T51-I78 WeakPolarHBondContact CA-O 3.48Å; T51-I78 HydrophobicContact CG2-CB 4.06Å; T51-I78 HydrophobicContact CG2-CG2 4Å; I52-I78 PolarHBondContact N-O 2.61Å; I78-E80 HydrophobicContact CG2-CG 3.85Å; I78-I115 HydrophobicContact CD1-CG2 3.83Å; I78-I121 CarbonylContact C-O 3.45Å; I78-I121 VanDerWaalsContact CA-O 3.3Å; I78-I121 WeakPolarHBondContact CA-O 3.37Å; I78-I121 HydrophobicContact CD1-CD1 4.35Å; I78-I121 HydrophobicContact CG1-CB 4.24Å; I78-I121 HydrophobicContact CG1-CD1 4.39Å; I78-I121 HydrophobicContact CG1-CG1 4.48Å; I78-I121 HydrophobicContact CG2-CB 4.23Å; I78-I121 HydrophobicContact CG2-CG2 4.38Å; I78-L803 HydrophobicContact CD1-CD2 4.11Å |
| 79 | V | 90.7 | Very high | 86 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.2 | 177.2 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | I52 L77 L88 I121 I122 R123 T125 L127 | I52-V79 HydrophobicContact CB-CG2 4.46Å; I52-V79 WeakPolarHBondContact O-CA 3.25Å; L77-V79 HydrophobicContact CD1-CG2 4.25Å; L77-V79 HydrophobicContact CG-CG2 4.32Å; V79-L88 HydrophobicContact CG2-CD1 4.23Å; V79-I121 PolarHBondContact N-O 3.26Å; V79-I122 HydrophobicContact CB-CG1 4.33Å; V79-I122 HydrophobicContact CB-CG2 4.34Å; V79-I122 WeakPolarHBondContact O-CA 3.47Å; V79-R123 PolarHBondContact O-N 2.82Å; V79-T125 HydrophobicContact CG1-CG2 4.46Å; V79-L127 HydrophobicContact CG1-CD1 4.46Å |
| 80 | E | 87.3 | Confident | 86 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.5 | -173.8 | -42.8 | -168.9 | 95.3 | 0 | 0 | 115.7 | I52 R53 N54 I78 G82 R123 L803 | I52-E80 PolarHBondContact O-N 2.85Å; R53-E80 WeakPolarHBondContact CA-O 3.43Å; R53-E80 HydrophobicContact CG-CB 4.32Å; R53-E80 IonicContact CZ-OE2 3.84Å; R53-E80 IonicContact NE-OE2 2.74Å; R53-E80 IonicContact NH1-OE2 3.29Å; N54-E80 PolarHBondContact N-O 3.38Å; I78-E80 HydrophobicContact CG2-CG 3.85Å; E80-G82 PolarHBondContact O-N 2.79Å; E80-R123 WeakPolarHBondContact CA-O 3.47Å; E80-R123 HydrophobicContact CB-CG 4.29Å; E80-R123 HydrophobicContact CG-CG 4.03Å; E80-R123 VanDerWaalsContact OE1-CD 3.29Å; E80-R123 WeakPolarHBondContact OE1-CD 3.03Å; E80-R123 IonicContact OE1-CZ 3.79Å; E80-R123 IonicContact OE1-NE 2.72Å; E80-R123 IonicContact OE1-NH1 3.8Å; E80-R123 PolarHBondContact OE1-NH1 3.18Å; E80-L803 VanDerWaalsContact OE1-CD1 3.29Å; E80-L803 WeakPolarHBondContact OE1-CD1 3.3Å |
| 81 | N | 81.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 19.1 Ų | 19.1 | 32% | 0.316 | 11% | 0.107 | S | C | . | . | S | Bend | trans | 57.8 | 30.3 | 169.5 | -50.1 | -84.5 | 0 | 0 | 0 | 113 | R53 N54 R123 H124 | R53-N81 PolarHBondContact NH2-ND2 2.95Å; N54-N81 WeakPolarHBondContact CA-O 3.49Å; N81-R123 PolarHBondContact N-O 2.85Å; N81-R123 VanDerWaalsContact N-O 3.16Å; N81-H124 CarbonylContact C-O 3.58Å; N81-H124 WeakPolarHBondContact CA-O 3.47Å; N81-H124 PolarHBondContact N-O 2.68Å |
| 82 | G | 78.9 | Confident | 86.3 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | trans | -87.4 | 124.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L55 E80 C84 H124 T125 K126 | L55-G82 CarbonylContact O-C 3.16Å; L55-G82 VanDerWaalsContact O-C 3.23Å; L55-G82 WeakPolarHBondContact O-CA 3.36Å; E80-G82 PolarHBondContact O-N 2.79Å; G82-C84 VanDerWaalsContact C-N 3.34Å; G82-H124 PolarHBondContact N-O 3.24Å; G82-T125 CarbonylContact O-C 3.46Å; G82-T125 VanDerWaalsContact O-CA 3.25Å; G82-T125 WeakPolarHBondContact O-CA 3.43Å; G82-K126 PolarHBondContact O-N 2.83Å | ||
| 83 | N | 84.8 | Confident | 86.5 | Confident | 91 Ų | 91 | 18.3 Ų | 18.3 | 49% | 0.487 | 10% | 0.104 | S | C | . | . | trans | -82.3 | -9.6 | 173.1 | -93.7 | -46.4 | 0 | 0 | 0 | 113.9 | L55 S85 K126 | L55-N83 PolarHBondContact O-N 3.43Å; N83-S85 PolarHBondContact O-N 3.04Å; N83-K126 WeakPolarHBondContact OD1-CD 3.33Å; N83-K126 VanDerWaalsContact OD1-CE 3.24Å; N83-K126 WeakPolarHBondContact OD1-CE 3.41Å; N83-K126 PolarHBondContact OD1-NZ 2.76Å | ||
| 84 | C | 86.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -46.7 | 129.1 | 176.3 | 164 | 0 | 0 | 0 | 0 | 112.2 | L55 C60 G82 G86 K126 L127 | L55-C84 HydrophobicContact CD2-CB 4.21Å; L55-C84 HydrophobicContact CG-CB 4.05Å; L55-C84 PolarHBondContact O-N 3.44Å; C60-C84 HydrophobicContact CB-CB 4.05Å; C60-C84 WeakPolarHBondContact CB-SG 3.3Å; C60-C84 WeakPolarHBondContact SG-CB 3.05Å; C60-C84 CovalentContact SG-SG 2.02Å; C60-C84 PolarHBondContact SG-SG 2.98Å; G82-C84 VanDerWaalsContact C-N 3.34Å; C84-G86 PolarHBondContact SG-N 3.44Å; C84-G86 VanDerWaalsContact SG-N 3.42Å; C84-K126 CarbonylContact O-C 3.48Å; C84-K126 WeakPolarHBondContact O-CB 3.45Å; C84-L127 HydrophobicContact CB-CD2 4.19Å; C84-L127 PolarHBondContact O-N 2.85Å; C84-L127 WeakPolarHBondContact SG-CD2 3.34Å | ||
| 85 | S | 84.1 | Confident | 87.1 | Confident | 33 Ų | 33 | 20.7 Ų | 20.7 | 23% | 0.231 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -105.8 | 6.8 | -179.1 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | D57 N83 K128 | D57-S85 WeakPolarHBondContact OD1-CB 3.48Å; D57-S85 PolarHBondContact OD1-N 3.48Å; D57-S85 PolarHBondContact OD1-OG 3.38Å; N83-S85 PolarHBondContact O-N 3.04Å; S85-K128 WeakPolarHBondContact O-CD 3.5Å; S85-K128 WeakPolarHBondContact O-CE 3.39Å; S85-K128 WeakPolarHBondContact O-CG 3.46Å; S85-K128 PolarHBondContact O-NZ 3.44Å |
| 86 | G | 86.6 | Confident | 87.5 | Confident | 12 Ų | 12 | 20.6 Ų | 20.6 | 12% | 0.124 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -96.3 | -141.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C84 L127 K128 | C84-G86 PolarHBondContact SG-N 3.44Å; C84-G86 VanDerWaalsContact SG-N 3.42Å; G86-L127 WeakPolarHBondContact O-CA 3.19Å; G86-K128 PolarHBondContact O-N 3.11Å |
| 87 | D | 88.2 | Confident | 87.5 | Confident | 25 Ų | 25 | 20.7 Ų | 20.7 | 13% | 0.134 | 12% | 0.115 | C | C | . | . | trans | -132.6 | -175.9 | 170.6 | 66 | 31.1 | 0 | 0 | 0 | 110.1 | S89 G129 | D87-S89 VanDerWaalsContact C-N 3.29Å; D87-S89 PolarHBondContact O-N 2.97Å; D87-S89 WeakPolarHBondContact OD1-CB 3.34Å; D87-S89 PolarHBondContact OD1-N 2.8Å; D87-S89 PolarHBondContact OD1-OG 3.1Å; D87-G129 WeakPolarHBondContact CB-O 3.35Å | ||
| 88 | L | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -81.4 | 0.7 | -178.2 | -54.3 | 176.7 | 0 | 0 | 0 | 114.4 | L55 V79 K90 F91 F92 I122 L127 V130 L132 | L55-L88 HydrophobicContact CD2-CD2 3.53Å; V79-L88 HydrophobicContact CG2-CD1 4.23Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.47Å; L88-F91 PolarHBondContact O-N 2.82Å; L88-F92 HydrophobicContact CB-CD2 4.48Å; L88-F92 PolarHBondContact O-N 2.03Å; L88-I122 HydrophobicContact CD1-CD1 4.15Å; L88-L127 HydrophobicContact CD2-CD1 4.06Å; L88-L127 HydrophobicContact CD2-CD2 4.05Å; L88-L127 HydrophobicContact CG-CD1 4.42Å; L88-L127 HydrophobicContact CG-CD2 4.5Å; L88-V130 VanDerWaalsContact CB-O 3.23Å; L88-V130 WeakPolarHBondContact CB-O 3.44Å; L88-V130 WeakPolarHBondContact CG-O 3.36Å; L88-V130 PolarHBondContact N-O 2.8Å; L88-L132 HydrophobicContact CB-CD2 3.88Å; L88-L132 HydrophobicContact CB-CG 4.43Å; L88-L132 HydrophobicContact CD1-CD2 4.29Å; L88-L132 HydrophobicContact CD1-CG 4.36Å |
| 89 | S | 89.3 | Confident | 86.5 | Confident | 25 Ų | 25 | 21.4 Ų | 21.4 | 18% | 0.175 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -34.9 | -171.3 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | D87 P93 G131 | D87-S89 VanDerWaalsContact C-N 3.29Å; D87-S89 PolarHBondContact O-N 2.97Å; D87-S89 WeakPolarHBondContact OD1-CB 3.34Å; D87-S89 PolarHBondContact OD1-N 2.8Å; D87-S89 PolarHBondContact OD1-OG 3.1Å; S89-P93 WeakPolarHBondContact O-CA 3.34Å; S89-P93 WeakPolarHBondContact O-CB 3.34Å; S89-G131 VanDerWaalsContact CA-O 3.29Å; S89-G131 WeakPolarHBondContact CA-O 3.39Å; S89-G131 VanDerWaalsContact CB-O 3.26Å; S89-G131 WeakPolarHBondContact CB-O 3.3Å |
| 90 | K | 87.9 | Confident | 85.5 | Confident | 96 Ų | 96 | 22.1 Ų | 22.1 | 42% | 0.417 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -27.2 | 176.1 | -57.3 | -160.4 | -169.6 | -170.8 | 0 | 113.2 | C60 L61 N66 L88 | C60-K90 WeakPolarHBondContact O-CD 3.32Å; C60-K90 WeakPolarHBondContact O-CG 3.45Å; L61-K90 PolarHBondContact O-NZ 2.85Å; N66-K90 WeakPolarHBondContact CB-O 3.43Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.47Å |
| 91 | F | 90.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -40.4 | -179 | -164.6 | -98.7 | 0 | 0 | 0 | 111.8 | L31 L37 I52 L55 C59 C65 L67 L88 P93 | L31-F91 HydrophobicContact CD1-CE2 4.14Å; L31-F91 HydrophobicContact CD1-CZ 4.24Å; L37-F91 HydrophobicContact CD1-CE2 4.34Å; L37-F91 HydrophobicContact CD1-CZ 3.83Å; L37-F91 HydrophobicContact CD2-CE2 4.45Å; I52-F91 HydrophobicContact CD1-CE1 4.05Å; I52-F91 HydrophobicContact CD1-CZ 4.31Å; I52-F91 HydrophobicContact CG1-CE1 4.03Å; I52-F91 HydrophobicContact CG2-CE1 4.36Å; I52-F91 HydrophobicContact CG2-CZ 4.27Å; L55-F91 HydrophobicContact CD1-CD2 3.68Å; L55-F91 HydrophobicContact CD1-CE2 3.8Å; L55-F91 HydrophobicContact CD1-CG 4.17Å; L55-F91 HydrophobicContact CD1-CZ 4.4Å; C59-F91 HydrophobicContact CB-CD2 3.82Å; C59-F91 HydrophobicContact CB-CE2 3.99Å; C65-F91 WeakPolarHBondContact O-CD2 3.2Å; C65-F91 WeakPolarHBondContact O-CE2 3.06Å; L67-F91 HydrophobicContact CD1-CE1 3.99Å; L67-F91 HydrophobicContact CD1-CZ 4.34Å; L67-F91 HydrophobicContact CG-CE1 4.5Å; L67-F91 PolarHBondContact N-O 3.42Å; L88-F91 PolarHBondContact O-N 2.82Å; F91-P93 VanDerWaalsContact C-CD 3.5Å; F91-P93 WeakPolarHBondContact O-CD 3.33Å |
| 92 | F | 91.4 | Very high | 82.8 | Confident | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -123.9 | 65.8 | 178.1 | -70.2 | -62.6 | 0 | 0 | 0 | 111.8 | L50 I52 L67 I73 L77 L88 N94 L95 L132 | L50-F92 HydrophobicContact CD2-CE1 3.99Å; L50-F92 HydrophobicContact CD2-CZ 3.72Å; I52-F92 HydrophobicContact CG1-CZ 4.35Å; L67-F92 HydrophobicContact CB-CD1 4.2Å; L67-F92 HydrophobicContact CB-CE1 4.25Å; L67-F92 HydrophobicContact CD1-CD1 4.38Å; L67-F92 HydrophobicContact CD1-CE1 3.62Å; L67-F92 HydrophobicContact CD1-CZ 4.21Å; I73-F92 HydrophobicContact CD1-CE1 4.49Å; L77-F92 HydrophobicContact CD1-CE2 3.75Å; L77-F92 HydrophobicContact CD1-CZ 3.79Å; L77-F92 HydrophobicContact CD2-CD2 4.15Å; L77-F92 HydrophobicContact CD2-CE2 3.75Å; L77-F92 HydrophobicContact CD2-CZ 4.35Å; L77-F92 HydrophobicContact CG-CE2 4.42Å; L88-F92 HydrophobicContact CB-CD2 4.48Å; L88-F92 PolarHBondContact O-N 2.03Å; F92-N94 VanDerWaalsContact C-N 3.26Å; F92-N94 PolarHBondContact O-N 3.04Å; F92-L95 HydrophobicContact CB-CB 3.87Å; F92-L95 HydrophobicContact CB-CD2 4.21Å; F92-L95 HydrophobicContact CD1-CB 4.49Å; F92-L95 HydrophobicContact CD1-CD2 4.22Å; F92-L95 HydrophobicContact CD2-CD2 4.34Å; F92-L95 HydrophobicContact CG-CB 4.41Å; F92-L95 HydrophobicContact CG-CD2 4.04Å; F92-L132 HydrophobicContact CB-CD2 3.77Å; F92-L132 HydrophobicContact CD2-CD2 4.2Å; F92-L132 HydrophobicContact CG-CD2 4.4Å |
| 93 | P | 89.1 | Confident | 81.3 | Confident | 26 Ų | 26 | 27.1 Ų | 27.1 | 17% | 0.169 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.3 | -171.8 | 29.6 | -36.5 | 0 | 0 | 0 | 114.6 | S89 F91 | S89-P93 WeakPolarHBondContact O-CA 3.34Å; S89-P93 WeakPolarHBondContact O-CB 3.34Å; F91-P93 VanDerWaalsContact C-CD 3.5Å; F91-P93 WeakPolarHBondContact O-CD 3.33Å |
| 94 | N | 88.7 | Confident | 79 | Confident | 50 Ų | 50 | 25.2 Ų | 25.2 | 27% | 0.267 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 1.6 | -177.9 | -72.5 | -43.8 | 0 | 0 | 0 | 115 | S68 V70 V71 F92 T96 K134 | S68-N94 PolarHBondContact O-ND2 3.03Å; V70-N94 CarbonylContact O-C 3.45Å; V71-N94 HydrophobicContact CG2-CB 4.38Å; F92-N94 VanDerWaalsContact C-N 3.26Å; F92-N94 PolarHBondContact O-N 3.04Å; N94-T96 PolarHBondContact O-N 3.17Å; N94-T96 VanDerWaalsContact O-N 3.08Å; N94-T96 PolarHBondContact O-OG1 3.34Å; N94-K134 WeakPolarHBondContact OD1-CE 3.39Å; N94-K134 PolarHBondContact OD1-NZ 2.67Å |
| 95 | L | 90.5 | Very high | 76.6 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | trans | -64.3 | 112.9 | -177.8 | 179.9 | 61.5 | 0 | 0 | 0 | 110.8 | V70 I73 L77 F92 I98 L132 K134 L135 | V70-L95 HydrophobicContact CG1-CD1 4.37Å; V70-L95 WeakPolarHBondContact O-CA 3.47Å; V70-L95 PolarHBondContact O-N 2.96Å; I73-L95 HydrophobicContact CD1-CD1 4.04Å; I73-L95 HydrophobicContact CD1-CD2 3.89Å; I73-L95 HydrophobicContact CG1-CD1 3.91Å; L77-L95 HydrophobicContact CD2-CD2 3.93Å; F92-L95 HydrophobicContact CB-CB 3.87Å; F92-L95 HydrophobicContact CB-CD2 4.21Å; F92-L95 HydrophobicContact CD1-CB 4.49Å; F92-L95 HydrophobicContact CD1-CD2 4.22Å; F92-L95 HydrophobicContact CD2-CD2 4.34Å; F92-L95 HydrophobicContact CG-CB 4.41Å; F92-L95 HydrophobicContact CG-CD2 4.04Å; L95-I98 HydrophobicContact CD1-CG1 4.37Å; L95-I98 HydrophobicContact CD2-CD1 4.13Å; L95-I98 HydrophobicContact CD2-CG1 4.28Å; L95-I98 HydrophobicContact CG-CG1 4.45Å; L95-L132 HydrophobicContact CD2-CD1 4.39Å; L95-L132 HydrophobicContact CD2-CD2 4.16Å; L95-K134 CarbonylContact O-C 3.56Å; L95-L135 PolarHBondContact O-N 2.69Å | ||
| 96 | T | 86.5 | Confident | 74.4 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | trans | -111.9 | -28 | -170.1 | -59 | 0 | 0 | 0 | 0 | 112.4 | V71 N94 K136 S137 L258 | V71-T96 PolarHBondContact O-N 2.83Å; N94-T96 PolarHBondContact O-N 3.17Å; N94-T96 VanDerWaalsContact O-N 3.08Å; N94-T96 PolarHBondContact O-OG1 3.34Å; T96-K136 HydrophobicContact CG2-CB 4.22Å; T96-K136 HydrophobicContact CG2-CD 4.27Å; T96-K136 HydrophobicContact CG2-CG 4.27Å; T96-K136 PolarHBondContact O-N 2.92Å; T96-S137 PolarHBondContact O-N 3.06Å; T96-L258 HydrophobicContact CG2-CD1 4.1Å | ||
| 97 | I | 83.8 | Confident | 72.1 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 132.9 | -173.7 | -56.1 | -177.7 | 0 | 0 | 0 | 111.2 | V71 E72 I73 R99 L258 | V71-I97 PolarHBondContact O-N 2.94Å; E72-I97 WeakPolarHBondContact CA-O 3.16Å; I73-I97 PolarHBondContact N-O 2.99Å; I97-R99 HydrophobicContact CG2-CG 3.66Å; I97-L258 HydrophobicContact CD1-CB 4.42Å |
| 98 | I | 86.5 | Confident | 69.7 | Low | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118 | 164.7 | -50 | 173.3 | 0 | 0 | 0 | 109.7 | I73 G75 L77 L95 N119 L135 S137 L138 N139 | I73-I98 HydrophobicContact CB-CG2 4.37Å; I73-I98 HydrophobicContact CG2-CG2 4.48Å; I73-I98 CarbonylContact O-C 3.59Å; I73-I98 VanDerWaalsContact O-CA 3.24Å; I73-I98 WeakPolarHBondContact O-CA 3.28Å; G75-I98 VanDerWaalsContact O-CG2 3.28Å; G75-I98 WeakPolarHBondContact O-CG2 3.48Å; L77-I98 HydrophobicContact CB-CD1 4.03Å; L77-I98 HydrophobicContact CD2-CD1 4.23Å; L95-I98 HydrophobicContact CD1-CG1 4.37Å; L95-I98 HydrophobicContact CD2-CD1 4.13Å; L95-I98 HydrophobicContact CD2-CG1 4.28Å; L95-I98 HydrophobicContact CG-CG1 4.45Å; I98-N119 HydrophobicContact CB-CB 4.39Å; I98-N119 HydrophobicContact CG2-CB 3.99Å; I98-N119 WeakPolarHBondContact CG2-O 3.36Å; I98-N119 PolarHBondContact O-ND2 3.46Å; I98-L135 HydrophobicContact CD1-CD1 4.26Å; I98-L135 HydrophobicContact CG1-CD1 4.03Å; I98-S137 PolarHBondContact N-O 2.93Å; I98-L138 HydrophobicContact CB-CD2 3.87Å; I98-L138 HydrophobicContact CD1-CD2 4.19Å; I98-L138 HydrophobicContact CG1-CD2 4.31Å; I98-N139 PolarHBondContact O-N 2.02Å |
| 99 | R | 73 | Confident | 67.1 | Low | 18 Ų | 18 | 35.8 Ų | 35.8 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | trans | -98.2 | -16.6 | -169.9 | -56.5 | -167.5 | -163.5 | 158.1 | 4.1 | 117 | E72 I73 T74 I97 Q101 N139 S259 | E72-R99 IonicContact OE1-CZ 3.23Å; E72-R99 IonicContact OE1-NE 2.67Å; E72-R99 PolarHBondContact OE1-NE 3.29Å; E72-R99 IonicContact OE1-NH2 3.75Å; E72-R99 PolarHBondContact OE1-NH2 3.15Å; E72-R99 IonicContact OE2-NH2 2.64Å; I73-R99 PolarHBondContact O-N 3.17Å; T74-R99 CarbonylContact O-C 3.57Å; T74-R99 WeakPolarHBondContact O-CB 3.41Å; I97-R99 HydrophobicContact CG2-CG 3.66Å; R99-Q101 HydrophobicContact CB-CB 4.33Å; R99-Q101 HydrophobicContact CB-CG 3.97Å; R99-Q101 PolarHBondContact O-N 3.28Å; R99-N139 HydrophobicContact CB-CB 4.49Å; R99-N139 WeakPolarHBondContact O-CB 3.36Å; R99-N139 PolarHBondContact O-ND2 2.75Å; R99-S259 PolarHBondContact NH2-OG 2.88Å; R99-S259 VanDerWaalsContact NH2-OG 3.17Å | ||
| 100 | S | 70.1 | Confident | 64.5 | Low | 16 Ų | 16 | 38 Ų | 38 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | trans | 47.2 | 27 | -175.8 | -160 | 0 | 0 | 0 | 0 | 114.3 | T74 G75 S116 Y118 N119 | T74-S100 PolarHBondContact O-N 2.68Å; G75-S100 WeakPolarHBondContact O-CA 3.4Å; G75-S100 PolarHBondContact O-N 2.82Å; S100-S116 PolarHBondContact OG-O 3.38Å; S100-Y118 PolarHBondContact OG-O 2.85Å; S100-N119 VanDerWaalsContact CB-ND2 3.31Å; S100-N119 WeakPolarHBondContact CB-ND2 3.45Å; S100-N119 PolarHBondContact N-ND2 3.11Å | ||
| 101 | Q | 61.1 | Low | 61.9 | Low | 56 Ų | 56 | 40.5 Ų | 40.5 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | trans | -82.5 | 118.8 | 179.7 | -80.1 | 176.1 | -26.3 | 0 | 0 | 108.6 | T74 R99 I103 | T74-Q101 PolarHBondContact O-N 3.26Å; R99-Q101 HydrophobicContact CB-CB 4.33Å; R99-Q101 HydrophobicContact CB-CG 3.97Å; R99-Q101 PolarHBondContact O-N 3.28Å; Q101-I103 VanDerWaalsContact C-N 3.33Å; Q101-I103 HydrophobicContact CB-CG1 4.35Å; Q101-I103 PolarHBondContact O-N 2.88Å | ||
| 102 | I | 51.2 | Low | 59.4 | Low | 63 Ų | 63 | 44.8 Ų | 44.8 | 32% | 0.323 | 23% | 0.231 | S | C | . | . | trans | -72.5 | 92.9 | 169.1 | -51.1 | 174.9 | 0 | 0 | 0 | 107.1 | T104 D107 L108 N113 | I102-T104 WeakPolarHBondContact CG2-O 3.27Å; I102-T104 PolarHBondContact O-N 2.84Å; I102-D107 HydrophobicContact CG2-CB 3.91Å; I102-L108 HydrophobicContact CD1-CD2 3.98Å; I102-L108 HydrophobicContact CG2-CG 4.23Å; I102-N113 WeakPolarHBondContact CD1-OD1 3.24Å | ||
| 103 | I | 46.6 | Very low | 57.1 | Low | 49 Ų | 49 | 47.8 Ų | 47.8 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | trans | -71.9 | -20.4 | -177.1 | -74.5 | 170.9 | 0 | 0 | 0 | 112.3 | T74 Q101 N281 | T74-I103 HydrophobicContact CG2-CD1 4.24Å; T74-I103 WeakPolarHBondContact OG1-CD1 3.44Å; Q101-I103 VanDerWaalsContact C-N 3.33Å; Q101-I103 HydrophobicContact CB-CG1 4.35Å; Q101-I103 PolarHBondContact O-N 2.88Å; I103-N281 PolarHBondContact O-ND2 2.85Å | ||
| 104 | T | 36.8 | Very low | 55.2 | Low | 51 Ų | 51 | 50.6 Ų | 50.6 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | trans | -120.7 | 127.9 | -172.9 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | I102 T106 D107 E296 | I102-T104 WeakPolarHBondContact CG2-O 3.27Å; I102-T104 PolarHBondContact O-N 2.84Å; T104-T106 VanDerWaalsContact CB-OG1 3.28Å; T104-T106 WeakPolarHBondContact CB-OG1 3Å; T104-T106 PolarHBondContact O-N 2.94Å; T104-T106 VanDerWaalsContact O-N 3.13Å; T104-T106 PolarHBondContact OG1-OG1 3.09Å; T104-T106 VanDerWaalsContact OG1-OG1 3.04Å; T104-D107 PolarHBondContact O-N 2.67Å; T104-D107 VanDerWaalsContact O-N 3.09Å; T104-E296 VanDerWaalsContact C-OE1 3.3Å; T104-E296 WeakPolarHBondContact CA-OE1 3.42Å; T104-E296 WeakPolarHBondContact CB-OE1 3.35Å | ||
| 105 | S | 35.6 | Very low | 53.4 | Low | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -7.2 | 173.7 | 66 | 0 | 0 | 0 | 0 | 113.3 | D107 N109 E296 V298 | S105-D107 VanDerWaalsContact C-N 3.27Å; S105-D107 PolarHBondContact O-N 3.14Å; S105-N109 PolarHBondContact O-ND2 3.3Å; S105-E296 WeakPolarHBondContact CB-OE2 3.04Å; S105-E296 VanDerWaalsContact N-CD 3.25Å; S105-E296 PolarHBondContact N-OE1 2.82Å; S105-E296 PolarHBondContact N-OE2 2.95Å; S105-E296 WeakPolarHBondContact OG-CG 3.04Å; S105-E296 PolarHBondContact OG-OE2 3.05Å; S105-V298 WeakPolarHBondContact OG-CG2 3.34Å |
| 106 | T | 38 | Very low | 51.5 | Low | 41 Ų | 41 | 50.3 Ų | 50.3 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -39.2 | 164.4 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | T104 N110 E296 I297 | T104-T106 VanDerWaalsContact CB-OG1 3.28Å; T104-T106 WeakPolarHBondContact CB-OG1 3Å; T104-T106 PolarHBondContact O-N 2.94Å; T104-T106 VanDerWaalsContact O-N 3.13Å; T104-T106 PolarHBondContact OG1-OG1 3.09Å; T104-T106 VanDerWaalsContact OG1-OG1 3.04Å; T106-N110 PolarHBondContact O-ND2 2.86Å; T106-E296 HydrophobicContact CG2-CG 4.39Å; T106-I297 HydrophobicContact CG2-CB 4.45Å; T106-I297 VanDerWaalsContact CG2-O 3.32Å; T106-I297 WeakPolarHBondContact CG2-O 3.25Å |
| 107 | D | 38.4 | Very low | 50.4 | Low | 82 Ų | 82 | 51.8 Ų | 51.8 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -19.5 | -174.2 | -86.8 | -17.3 | 0 | 0 | 0 | 113.8 | I102 T104 S105 N109 N110 N113 | I102-D107 HydrophobicContact CG2-CB 3.91Å; T104-D107 PolarHBondContact O-N 2.67Å; T104-D107 VanDerWaalsContact O-N 3.09Å; S105-D107 VanDerWaalsContact C-N 3.27Å; S105-D107 PolarHBondContact O-N 3.14Å; D107-N109 PolarHBondContact O-N 3.37Å; D107-N110 PolarHBondContact OD1-ND2 3.44Å; D107-N110 VanDerWaalsContact OD1-ND2 3.16Å; D107-N113 PolarHBondContact O-ND2 3.03Å |
| 108 | L | 37.7 | Very low | 49.8 | Very low | 96 Ų | 96 | 52.2 Ų | 52.2 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.6 | 172.5 | -79.7 | 173.2 | 0 | 0 | 0 | 113.7 | I102 N113 | I102-L108 HydrophobicContact CD1-CD2 3.98Å; I102-L108 HydrophobicContact CG2-CG 4.23Å; L108-N113 PolarHBondContact O-ND2 3.24Å |
| 109 | N | 37.3 | Very low | 49.7 | Very low | 65 Ų | 65 | 52.2 Ų | 52.2 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 1.3 | -168.2 | -64.4 | -81.5 | 0 | 0 | 0 | 114.9 | S105 D107 V298 G299 | S105-N109 PolarHBondContact O-ND2 3.3Å; D107-N109 PolarHBondContact O-N 3.37Å; N109-V298 WeakPolarHBondContact ND2-CG1 3.14Å; N109-G299 WeakPolarHBondContact CB-O 3.45Å; N109-G299 PolarHBondContact ND2-O 2.9Å; N109-G299 PolarHBondContact OD1-O 3.12Å |
| 110 | N | 33.7 | Very low | 50.4 | Low | 71 Ų | 71 | 51.3 Ų | 51.3 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -75 | 150.5 | 163.6 | -73.4 | -42.1 | 0 | 0 | 0 | 109.2 | T106 D107 H112 | T106-N110 PolarHBondContact O-ND2 2.86Å; D107-N110 PolarHBondContact OD1-ND2 3.44Å; D107-N110 VanDerWaalsContact OD1-ND2 3.16Å; N110-H112 HydrophobicContact CB-CB 3.94Å; N110-H112 PolarHBondContact O-N 3.12Å |
| 111 | K | 33.3 | Very low | 51.2 | Low | 149 Ų | 149 | 50.6 Ų | 50.6 | 65% | 0.648 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 48.8 | 178.8 | -72 | -172.4 | 171.9 | -176.6 | 0 | 112.7 | D347 | K111-D347 WeakPolarHBondContact CE-OD2 3.44Å; K111-D347 IonicContact NZ-OD2 3.73Å; K111-D347 PolarHBondContact NZ-OD2 3.36Å |
| 112 | H | 38.9 | Very low | 52.5 | Low | 91 Ų | 91 | 47.9 Ų | 47.9 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 1.6 | -154.8 | -76.7 | -17.9 | 0 | 0 | 0 | 113.8 | N110 Q114 L802 | N110-H112 HydrophobicContact CB-CB 3.94Å; N110-H112 PolarHBondContact O-N 3.12Å; H112-Q114 PolarHBondContact O-N 3.28Å; H112-L802 HydrophobicContact CB-CD2 3.4Å; H112-L802 VanDerWaalsContact CB-CD2 3.4Å; H112-L802 HydrophobicContact CB-CG 4.47Å; H112-L802 VanDerWaalsContact CG-CD2 3.45Å; H112-L802 WeakPolarHBondContact ND1-CD2 3.37Å; H112-L802 WeakPolarHBondContact O-CD2 3.36Å |
| 113 | N | 43.3 | Very low | 54.1 | Low | 66 Ų | 66 | 45.2 Ų | 45.2 | 35% | 0.353 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 26.6 | -172 | -97.7 | -33.8 | 0 | 0 | 0 | 116.9 | I102 D107 L108 S116 | I102-N113 WeakPolarHBondContact CD1-OD1 3.24Å; D107-N113 PolarHBondContact O-ND2 3.03Å; L108-N113 PolarHBondContact O-ND2 3.24Å; N113-S116 WeakPolarHBondContact CA-OG 3.44Å; N113-S116 PolarHBondContact O-OG 2.94Å; N113-S116 PolarHBondContact OD1-OG 2.96Å |
| 114 | Q | 48 | Very low | 55.8 | Low | 85 Ų | 85 | 46.1 Ų | 46.1 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -41.9 | 167.9 | -73.9 | -167.2 | 3.5 | 0 | 0 | 112.3 | H112 S117 L802 | H112-Q114 PolarHBondContact O-N 3.28Å; Q114-S117 PolarHBondContact O-OG 3.11Å; Q114-L802 HydrophobicContact CB-CD1 4.38Å |
| 115 | I | 51.8 | Low | 58.1 | Low | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -66.2 | -41.9 | -179.1 | -81.7 | 174.3 | 0 | 0 | 0 | 112.1 | I78 S117 Y118 I121 L799 L802 L803 | I78-I115 HydrophobicContact CD1-CG2 3.83Å; I115-S117 PolarHBondContact O-N 2.87Å; I115-Y118 PolarHBondContact O-N 2.71Å; I115-I121 HydrophobicContact CB-CD1 4.45Å; I115-I121 HydrophobicContact CG1-CD1 4.04Å; I115-I121 HydrophobicContact CG2-CD1 4.07Å; I115-L799 HydrophobicContact CD1-CD1 3.54Å; I115-L799 HydrophobicContact CD1-CG 4.33Å; I115-L799 HydrophobicContact CG1-CD1 3.36Å; I115-L802 HydrophobicContact CB-CD1 4.47Å; I115-L802 HydrophobicContact CD1-CB 3.72Å; I115-L802 HydrophobicContact CD1-CD1 3.88Å; I115-L802 HydrophobicContact CD1-CD2 4.19Å; I115-L802 HydrophobicContact CD1-CG 4.15Å; I115-L802 HydrophobicContact CG1-CD1 3.91Å; I115-L803 HydrophobicContact CD1-CD1 4.29Å; I115-L803 HydrophobicContact CD1-CD2 4.03Å; I115-L803 HydrophobicContact CD1-CG 3.95Å |
| 116 | S | 50.9 | Low | 60.5 | Low | 30 Ų | 30 | 48.5 Ų | 48.5 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -61.6 | -6.6 | -177.5 | 52.3 | 0 | 0 | 0 | 0 | 114.9 | S100 N113 | S100-S116 PolarHBondContact OG-O 3.38Å; N113-S116 WeakPolarHBondContact CA-OG 3.44Å; N113-S116 PolarHBondContact O-OG 2.94Å; N113-S116 PolarHBondContact OD1-OG 2.96Å |
| 117 | S | 63 | Low | 62.9 | Low | 31 Ų | 31 | 46.6 Ų | 46.6 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -84.4 | -10.6 | 170.3 | 72 | 0 | 0 | 0 | 0 | 114.3 | Q114 I115 S140 R142 | Q114-S117 PolarHBondContact O-OG 3.11Å; I115-S117 PolarHBondContact O-N 2.87Å; S117-S140 WeakPolarHBondContact O-CB 3.5Å; S117-S140 PolarHBondContact O-OG 2.99Å; S117-R142 VanDerWaalsContact O-CB 3.22Å; S117-R142 WeakPolarHBondContact O-CB 3Å; S117-R142 WeakPolarHBondContact O-CD 3.43Å; S117-R142 PolarHBondContact OG-NH1 3.43Å |
| 118 | Y | 71.5 | Confident | 65.1 | Low | 12 Ų | 12 | 48.4 Ų | 48.4 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | trans | -109.6 | 130 | -177.3 | -66.1 | -97.8 | 0 | 0 | 0 | 111.7 | S76 S100 I115 I121 R142 A144 F795 | S76-Y118 VanDerWaalsContact CB-O 3.26Å; S76-Y118 WeakPolarHBondContact CB-O 3.25Å; S76-Y118 PolarHBondContact OG-O 2.89Å; S100-Y118 PolarHBondContact OG-O 2.85Å; I115-Y118 PolarHBondContact O-N 2.71Å; Y118-I121 HydrophobicContact CG-CD1 4.43Å; Y118-I121 HydrophobicContact CG-CG1 4.36Å; Y118-R142 WeakPolarHBondContact CA-O 3.49Å; Y118-R142 HydrophobicContact CD1-CB 3.69Å; Y118-R142 HydrophobicContact CE1-CB 3.97Å; Y118-R142 HydrophobicContact CE1-CG 4.45Å; Y118-R142 HydrophobicContact CG-CB 4.07Å; Y118-A144 HydrophobicContact CD1-CB 3.83Å; Y118-A144 HydrophobicContact CE1-CB 3.87Å; Y118-F795 HydrophobicContact CD2-CZ 4.5Å; Y118-F795 AromaticContact CE2-CE2 3.7Å; Y118-F795 HydrophobicContact CE2-CE2 3.7Å; Y118-F795 AromaticContact CE2-CZ 3.75Å; Y118-F795 HydrophobicContact CE2-CZ 3.75Å; Y118-F795 AromaticContact CZ-CE2 3.81Å; Y118-F795 AromaticContact CZ-CZ 3.8Å; Y118-F795 WeakPolarHBondContact OH-CE2 3.49Å | ||
| 119 | N | 83.1 | Confident | 67.4 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -71.9 | -38.1 | 171.3 | -61.7 | 87.4 | 0 | 0 | 0 | 111.9 | S76 L77 I98 S100 L138 N139 S140 R142 | S76-N119 CarbonylContact C-O 3.54Å; S76-N119 WeakPolarHBondContact CA-O 3.34Å; L77-N119 PolarHBondContact N-O 3.48Å; I98-N119 HydrophobicContact CB-CB 4.39Å; I98-N119 HydrophobicContact CG2-CB 3.99Å; I98-N119 WeakPolarHBondContact CG2-O 3.36Å; I98-N119 PolarHBondContact O-ND2 3.46Å; S100-N119 VanDerWaalsContact CB-ND2 3.31Å; S100-N119 WeakPolarHBondContact CB-ND2 3.45Å; S100-N119 PolarHBondContact N-ND2 3.11Å; N119-L138 HydrophobicContact CB-CD2 3.77Å; N119-N139 PolarHBondContact ND2-N 3.02Å; N119-S140 VanDerWaalsContact OD1-CA 3.26Å; N119-S140 WeakPolarHBondContact OD1-CA 3.43Å; N119-S140 WeakPolarHBondContact OD1-CB 3.35Å; N119-S140 PolarHBondContact OD1-N 2.99Å; N119-S140 PolarHBondContact OD1-O 2.81Å; N119-R142 PolarHBondContact N-O 2.87Å |
| 120 | L | 87.9 | Confident | 69.8 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.8 | -171.4 | 179.3 | 64.9 | 0 | 0 | 0 | 110.6 | L77 I122 V130 I143 A144 | L77-L120 HydrophobicContact CB-CD1 4.08Å; L77-L120 HydrophobicContact CD2-CD1 3.97Å; L77-L120 HydrophobicContact CG-CD1 3.98Å; L77-L120 WeakPolarHBondContact O-CA 3.38Å; L120-I122 HydrophobicContact CD1-CD1 4.18Å; L120-I122 HydrophobicContact CD1-CG1 3.95Å; L120-I122 HydrophobicContact CD2-CD1 4.32Å; L120-I122 HydrophobicContact CG-CD1 4.4Å; L120-I122 HydrophobicContact CG-CG1 4.2Å; L120-V130 HydrophobicContact CD2-CG1 3.98Å; L120-I143 HydrophobicContact CB-CG2 4.2Å; L120-I143 HydrophobicContact CD2-CG2 4.24Å; L120-I143 HydrophobicContact CG-CG2 4.39Å; L120-I143 WeakPolarHBondContact O-CA 3.48Å; L120-A144 PolarHBondContact O-N 3.31Å |
| 121 | I | 87 | Confident | 72.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.6 | 173.7 | -53.9 | -175.6 | 0 | 0 | 0 | 108 | L77 I78 V79 I115 Y118 A144 L799 | L77-I121 PolarHBondContact O-N 3.22Å; I78-I121 CarbonylContact C-O 3.45Å; I78-I121 VanDerWaalsContact CA-O 3.3Å; I78-I121 WeakPolarHBondContact CA-O 3.37Å; I78-I121 HydrophobicContact CD1-CD1 4.35Å; I78-I121 HydrophobicContact CG1-CB 4.24Å; I78-I121 HydrophobicContact CG1-CD1 4.39Å; I78-I121 HydrophobicContact CG1-CG1 4.48Å; I78-I121 HydrophobicContact CG2-CB 4.23Å; I78-I121 HydrophobicContact CG2-CG2 4.38Å; V79-I121 PolarHBondContact N-O 3.26Å; I115-I121 HydrophobicContact CB-CD1 4.45Å; I115-I121 HydrophobicContact CG1-CD1 4.04Å; I115-I121 HydrophobicContact CG2-CD1 4.07Å; Y118-I121 HydrophobicContact CG-CD1 4.43Å; Y118-I121 HydrophobicContact CG-CG1 4.36Å; I121-A144 WeakPolarHBondContact CA-O 3.35Å; I121-A144 HydrophobicContact CB-CB 4.48Å; I121-A144 HydrophobicContact CG1-CB 4.24Å; I121-A144 HydrophobicContact CG2-CB 4.2Å; I121-L799 HydrophobicContact CD1-CD1 4Å; I121-L799 HydrophobicContact CG2-CD2 4.41Å |
| 122 | I | 88.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.6 | 172.1 | -53.3 | 179.7 | 0 | 0 | 0 | 108 | V79 L88 L120 T125 L127 V130 A144 L145 I146 N148 M151 | V79-I122 HydrophobicContact CB-CG1 4.33Å; V79-I122 HydrophobicContact CB-CG2 4.34Å; V79-I122 WeakPolarHBondContact O-CA 3.47Å; L88-I122 HydrophobicContact CD1-CD1 4.15Å; L120-I122 HydrophobicContact CD1-CD1 4.18Å; L120-I122 HydrophobicContact CD1-CG1 3.95Å; L120-I122 HydrophobicContact CD2-CD1 4.32Å; L120-I122 HydrophobicContact CG-CD1 4.4Å; L120-I122 HydrophobicContact CG-CG1 4.2Å; I122-T125 HydrophobicContact CG2-CG2 3.72Å; I122-L127 HydrophobicContact CG2-CD1 3.76Å; I122-V130 HydrophobicContact CD1-CG1 4.19Å; I122-V130 HydrophobicContact CD1-CG2 4.14Å; I122-A144 PolarHBondContact N-O 3.06Å; I122-L145 HydrophobicContact CB-CD2 3.87Å; I122-L145 HydrophobicContact CD1-CD2 4.04Å; I122-L145 HydrophobicContact CG1-CD2 4.05Å; I122-L145 WeakPolarHBondContact O-CA 3.48Å; I122-I146 PolarHBondContact O-N 3.16Å; I122-N148 PolarHBondContact O-ND2 3.24Å; I122-M151 HydrophobicContact CB-CE 4.49Å; I122-M151 HydrophobicContact CD1-CE 4.31Å; I122-M151 HydrophobicContact CG2-CE 3.97Å |
| 123 | R | 84.6 | Confident | 77.6 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 147.1 | -179.2 | 68.1 | -174.2 | -80.1 | -120.3 | 15.2 | 116.2 | V79 E80 N81 T125 I146 | V79-R123 PolarHBondContact O-N 2.82Å; E80-R123 WeakPolarHBondContact CA-O 3.47Å; E80-R123 HydrophobicContact CB-CG 4.29Å; E80-R123 HydrophobicContact CG-CG 4.03Å; E80-R123 VanDerWaalsContact OE1-CD 3.29Å; E80-R123 WeakPolarHBondContact OE1-CD 3.03Å; E80-R123 IonicContact OE1-CZ 3.79Å; E80-R123 IonicContact OE1-NE 2.72Å; E80-R123 IonicContact OE1-NH1 3.8Å; E80-R123 PolarHBondContact OE1-NH1 3.18Å; N81-R123 PolarHBondContact N-O 2.85Å; N81-R123 VanDerWaalsContact N-O 3.16Å; R123-T125 VanDerWaalsContact C-N 3.35Å; R123-T125 WeakPolarHBondContact O-CG2 3.32Å; R123-T125 PolarHBondContact O-N 3.29Å; R123-I146 WeakPolarHBondContact CA-O 3.19Å; R123-I146 HydrophobicContact CB-CB 4.04Å; R123-I146 WeakPolarHBondContact CB-O 3.03Å |
| 124 | H | 83.2 | Confident | 79.7 | Confident | 68 Ų | 68 | 28.7 Ų | 28.7 | 32% | 0.315 | 13% | 0.134 | S | C | . | . | S | Bend | trans | 52.7 | 51 | -179.6 | -56.2 | 112.8 | 0 | 0 | 0 | 111.8 | N81 G82 I146 D147 N148 E796 | N81-H124 CarbonylContact C-O 3.58Å; N81-H124 WeakPolarHBondContact CA-O 3.47Å; N81-H124 PolarHBondContact N-O 2.68Å; G82-H124 PolarHBondContact N-O 3.24Å; H124-I146 PolarHBondContact N-O 2.97Å; H124-I146 VanDerWaalsContact N-O 3.1Å; H124-D147 VanDerWaalsContact CA-O 3.31Å; H124-D147 WeakPolarHBondContact CA-O 3.44Å; H124-D147 IonicContact CD2-OD2 2.67Å; H124-D147 PolarHBondContact CD2-OD2 2.68Å; H124-D147 PolarHBondContact N-O 3.49Å; H124-N148 PolarHBondContact N-OD1 3Å; H124-E796 IonicContact CE1-OE1 2.63Å; H124-E796 IonicContact NE2-OE1 2.68Å |
| 125 | T | 85.3 | Confident | 81.7 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | trans | -123.7 | 155.3 | -179.1 | 75.1 | 0 | 0 | 0 | 0 | 113.2 | V79 G82 I122 R123 L127 N148 | V79-T125 HydrophobicContact CG1-CG2 4.46Å; G82-T125 CarbonylContact O-C 3.46Å; G82-T125 VanDerWaalsContact O-CA 3.25Å; G82-T125 WeakPolarHBondContact O-CA 3.43Å; I122-T125 HydrophobicContact CG2-CG2 3.72Å; R123-T125 VanDerWaalsContact C-N 3.35Å; R123-T125 WeakPolarHBondContact O-CG2 3.32Å; R123-T125 PolarHBondContact O-N 3.29Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 HydrophobicContact CG2-CD1 4.17Å; T125-N148 WeakPolarHBondContact CB-OD1 3.49Å; T125-N148 PolarHBondContact N-OD1 3.02Å; T125-N148 WeakPolarHBondContact O-CA 3.44Å; T125-N148 PolarHBondContact OG1-OD1 3.08Å | ||
| 126 | K | 85.6 | Confident | 83.1 | Confident | 105 Ų | 105 | 24.7 Ų | 24.7 | 46% | 0.457 | 11% | 0.114 | S | C | . | . | trans | -91.2 | 9.7 | 171.8 | -70.3 | 179.7 | 178.5 | 162.8 | 0 | 114.1 | G82 N83 C84 K128 | G82-K126 PolarHBondContact O-N 2.83Å; N83-K126 WeakPolarHBondContact OD1-CD 3.33Å; N83-K126 VanDerWaalsContact OD1-CE 3.24Å; N83-K126 WeakPolarHBondContact OD1-CE 3.41Å; N83-K126 PolarHBondContact OD1-NZ 2.76Å; C84-K126 CarbonylContact O-C 3.48Å; C84-K126 WeakPolarHBondContact O-CB 3.45Å; K126-K128 PolarHBondContact O-N 3.43Å | ||
| 127 | L | 87.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | trans | -55.8 | 128.8 | -178.2 | -72.8 | 164.6 | 0 | 0 | 0 | 110.8 | V79 C84 G86 L88 I122 T125 G129 M150 M151 | V79-L127 HydrophobicContact CG1-CD1 4.46Å; C84-L127 HydrophobicContact CB-CD2 4.19Å; C84-L127 PolarHBondContact O-N 2.85Å; C84-L127 WeakPolarHBondContact SG-CD2 3.34Å; G86-L127 WeakPolarHBondContact O-CA 3.19Å; L88-L127 HydrophobicContact CD2-CD1 4.06Å; L88-L127 HydrophobicContact CD2-CD2 4.05Å; L88-L127 HydrophobicContact CG-CD1 4.42Å; L88-L127 HydrophobicContact CG-CD2 4.5Å; I122-L127 HydrophobicContact CG2-CD1 3.76Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 HydrophobicContact CG2-CD1 4.17Å; L127-G129 VanDerWaalsContact C-N 3.29Å; L127-M150 CarbonylContact O-C 3.44Å; L127-M151 HydrophobicContact CB-CE 3.93Å; L127-M151 HydrophobicContact CD1-CE 4.48Å; L127-M151 WeakPolarHBondContact O-CA 3.08Å; L127-M151 PolarHBondContact O-N 2.75Å | ||
| 128 | K | 84.5 | Confident | 85.2 | Confident | 121 Ų | 121 | 22.3 Ų | 22.3 | 53% | 0.526 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -76.1 | -17.3 | 176.8 | -74.7 | 179.9 | -172 | 139.7 | 0 | 113.5 | S85 G86 K126 M150 C152 | S85-K128 WeakPolarHBondContact O-CD 3.5Å; S85-K128 WeakPolarHBondContact O-CE 3.39Å; S85-K128 WeakPolarHBondContact O-CG 3.46Å; S85-K128 PolarHBondContact O-NZ 3.44Å; G86-K128 PolarHBondContact O-N 3.11Å; K126-K128 PolarHBondContact O-N 3.43Å; K128-M150 WeakPolarHBondContact CA-O 3.4Å; K128-C152 WeakPolarHBondContact O-CA 3.45Å; K128-C152 WeakPolarHBondContact O-CB 3.46Å; K128-C152 PolarHBondContact O-N 2.93Å |
| 129 | G | 86 | Confident | 85 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | trans | -169.1 | 175.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D87 L127 | D87-G129 WeakPolarHBondContact CB-O 3.35Å; L127-G129 VanDerWaalsContact C-N 3.29Å | ||
| 130 | V | 88.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | trans | -80.9 | -38.7 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | L88 L120 I122 L132 L145 M151 W159 W212 | L88-V130 VanDerWaalsContact CB-O 3.23Å; L88-V130 WeakPolarHBondContact CB-O 3.44Å; L88-V130 WeakPolarHBondContact CG-O 3.36Å; L88-V130 PolarHBondContact N-O 2.8Å; L120-V130 HydrophobicContact CD2-CG1 3.98Å; I122-V130 HydrophobicContact CD1-CG1 4.19Å; I122-V130 HydrophobicContact CD1-CG2 4.14Å; V130-L132 VanDerWaalsContact C-N 3.25Å; V130-L132 HydrophobicContact CG1-CB 4.36Å; V130-L132 HydrophobicContact CG1-CD1 4.01Å; V130-L132 HydrophobicContact CG1-CG 3.95Å; V130-L132 PolarHBondContact O-N 2.9Å; V130-L145 HydrophobicContact CG2-CD2 4.4Å; V130-M151 HydrophobicContact CG2-CE 4.42Å; V130-M151 HydrophobicContact CG2-SD 4.12Å; V130-W159 HydrophobicContact CG2-CH2 4.42Å; V130-W212 HydrophobicContact CB-CE3 3.97Å; V130-W212 HydrophobicContact CB-CZ3 3.82Å; V130-W212 HydrophobicContact CG1-CE3 4.2Å; V130-W212 HydrophobicContact CG1-CZ3 3.68Å | ||
| 131 | G | 88.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | trans | 70.1 | 5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | S89 W133 | S89-G131 VanDerWaalsContact CA-O 3.29Å; S89-G131 WeakPolarHBondContact CA-O 3.39Å; S89-G131 VanDerWaalsContact CB-O 3.26Å; S89-G131 WeakPolarHBondContact CB-O 3.3Å; G131-W133 PolarHBondContact O-N 3.46Å | ||
| 132 | L | 91.5 | Very high | 82.2 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | trans | -78.7 | 60.7 | -178.7 | -64.5 | 179.1 | 0 | 0 | 0 | 111.8 | L77 L88 F92 L95 V130 K134 L135 W212 | L77-L132 HydrophobicContact CD2-CD1 4.28Å; L88-L132 HydrophobicContact CB-CD2 3.88Å; L88-L132 HydrophobicContact CB-CG 4.43Å; L88-L132 HydrophobicContact CD1-CD2 4.29Å; L88-L132 HydrophobicContact CD1-CG 4.36Å; F92-L132 HydrophobicContact CB-CD2 3.77Å; F92-L132 HydrophobicContact CD2-CD2 4.2Å; F92-L132 HydrophobicContact CG-CD2 4.4Å; L95-L132 HydrophobicContact CD2-CD1 4.39Å; L95-L132 HydrophobicContact CD2-CD2 4.16Å; V130-L132 VanDerWaalsContact C-N 3.25Å; V130-L132 HydrophobicContact CG1-CB 4.36Å; V130-L132 HydrophobicContact CG1-CD1 4.01Å; V130-L132 HydrophobicContact CG1-CG 3.95Å; V130-L132 PolarHBondContact O-N 2.9Å; L132-K134 VanDerWaalsContact C-N 3.34Å; L132-K134 PolarHBondContact O-N 3.11Å; L132-L135 HydrophobicContact CB-CB 4.03Å; L132-L135 HydrophobicContact CB-CD2 4.34Å; L132-L135 HydrophobicContact CD1-CD2 4.38Å; L132-L135 WeakPolarHBondContact O-CB 3.42Å; L132-L135 PolarHBondContact O-N 2.04Å; L132-W212 HydrophobicContact CB-CH2 4.39Å; L132-W212 HydrophobicContact CB-CZ3 4.31Å; L132-W212 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 133 | W | 88.7 | Confident | 81.7 | Confident | 92 Ų | 92 | 31.7 Ų | 31.7 | 35% | 0.348 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28.3 | -164.9 | 64.8 | -81.6 | 0 | 0 | 0 | 115.8 | G131 W212 A219 | G131-W133 PolarHBondContact O-N 3.46Å; W133-W212 HydrophobicContact CB-CG 4.35Å; W133-A219 VanDerWaalsContact O-CB 3.27Å; W133-A219 WeakPolarHBondContact O-CB 3.48Å |
| 134 | K | 88.6 | Confident | 81.4 | Confident | 28 Ų | 28 | 31.4 Ų | 31.4 | 12% | 0.122 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.4 | 172.5 | -67.5 | -153.6 | -171.6 | 179.8 | 0 | 114.4 | N94 L95 L132 K136 D235 | N94-K134 WeakPolarHBondContact OD1-CE 3.39Å; N94-K134 PolarHBondContact OD1-NZ 2.67Å; L95-K134 CarbonylContact O-C 3.56Å; L132-K134 VanDerWaalsContact C-N 3.34Å; L132-K134 PolarHBondContact O-N 3.11Å; K134-K136 PolarHBondContact O-N 3.09Å; K134-D235 IonicContact NZ-OD1 3.29Å; K134-D235 PolarHBondContact NZ-OD1 3.25Å |
| 135 | L | 89.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -65.7 | 117.7 | -178.7 | -176.1 | 71.3 | 0 | 0 | 0 | 110.8 | L95 I98 L132 L138 L162 W212 | L95-L135 PolarHBondContact O-N 2.69Å; I98-L135 HydrophobicContact CD1-CD1 4.26Å; I98-L135 HydrophobicContact CG1-CD1 4.03Å; L132-L135 HydrophobicContact CB-CB 4.03Å; L132-L135 HydrophobicContact CB-CD2 4.34Å; L132-L135 HydrophobicContact CD1-CD2 4.38Å; L132-L135 WeakPolarHBondContact O-CB 3.42Å; L132-L135 PolarHBondContact O-N 2.04Å; L135-L138 HydrophobicContact CD1-CD2 4.18Å; L135-L138 HydrophobicContact CD2-CD1 4.24Å; L135-L138 HydrophobicContact CD2-CD2 3.95Å; L135-L138 HydrophobicContact CD2-CG 4.1Å; L135-L138 HydrophobicContact CG-CD2 4.48Å; L135-L162 HydrophobicContact CD2-CD1 4.21Å; L135-L162 WeakPolarHBondContact O-CD2 3.29Å; L135-W212 HydrophobicContact CB-CZ2 4.14Å; L135-W212 HydrophobicContact CD2-CH2 3.85Å; L135-W212 HydrophobicContact CD2-CZ2 4.21Å | ||
| 136 | K | 81.8 | Confident | 80.8 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | trans | -110.7 | -14.9 | 178.4 | -65.8 | -179.4 | -174.8 | -180 | 0 | 113.3 | T96 K134 C232 R247 | T96-K136 HydrophobicContact CG2-CB 4.22Å; T96-K136 HydrophobicContact CG2-CD 4.27Å; T96-K136 HydrophobicContact CG2-CG 4.27Å; T96-K136 PolarHBondContact O-N 2.92Å; K134-K136 PolarHBondContact O-N 3.09Å; K136-C232 PolarHBondContact NZ-SG 2.83Å; K136-C232 VanDerWaalsContact NZ-SG 3.38Å; K136-R247 HydrophobicContact CB-CB 4.41Å; K136-R247 WeakPolarHBondContact CD-O 3.33Å; K136-R247 WeakPolarHBondContact O-CD 3.22Å; K136-R247 PolarHBondContact O-NH1 2.91Å | ||
| 137 | S | 77.8 | Confident | 80.1 | Confident | 11 Ų | 11 | 25.9 Ų | 25.9 | 8% | 0.077 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 125.1 | -169.2 | -168.9 | 0 | 0 | 0 | 0 | 114.7 | T96 I98 R247 | T96-S137 PolarHBondContact O-N 3.06Å; I98-S137 PolarHBondContact N-O 2.93Å; S137-R247 VanDerWaalsContact CB-CD 3.48Å; S137-R247 WeakPolarHBondContact OG-CD 3.48Å |
| 138 | L | 78.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.5 | 168.3 | -65.2 | -179.9 | 0 | 0 | 0 | 109.3 | I98 N119 L135 I143 W159 L162 T163 | I98-L138 HydrophobicContact CB-CD2 3.87Å; I98-L138 HydrophobicContact CD1-CD2 4.19Å; I98-L138 HydrophobicContact CG1-CD2 4.31Å; N119-L138 HydrophobicContact CB-CD2 3.77Å; L135-L138 HydrophobicContact CD1-CD2 4.18Å; L135-L138 HydrophobicContact CD2-CD1 4.24Å; L135-L138 HydrophobicContact CD2-CD2 3.95Å; L135-L138 HydrophobicContact CD2-CG 4.1Å; L135-L138 HydrophobicContact CG-CD2 4.48Å; L138-I143 HydrophobicContact CD1-CD1 3.58Å; L138-I143 HydrophobicContact CD1-CG1 4.37Å; L138-W159 HydrophobicContact CD1-CE3 4.23Å; L138-W159 HydrophobicContact CD1-CZ3 4.35Å; L138-L162 HydrophobicContact CB-CB 4.42Å; L138-L162 HydrophobicContact CD1-CB 4.13Å; L138-L162 HydrophobicContact CD1-CD1 4.16Å; L138-L162 HydrophobicContact CG-CB 4.19Å; L138-L162 PolarHBondContact N-O 2.79Å; L138-T163 HydrophobicContact CB-CG2 4.22Å; L138-T163 WeakPolarHBondContact O-CA 3.21Å |
| 139 | N | 69 | Low | 78.7 | Confident | 72 Ų | 72 | 23.2 Ų | 23.2 | 39% | 0.385 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -90.8 | -7.2 | -171.2 | -173.6 | 50.3 | 0 | 0 | 0 | 115 | I98 R99 N119 | I98-N139 PolarHBondContact O-N 2.02Å; R99-N139 HydrophobicContact CB-CB 4.49Å; R99-N139 WeakPolarHBondContact O-CB 3.36Å; R99-N139 PolarHBondContact O-ND2 2.75Å; N119-N139 PolarHBondContact ND2-N 3.02Å |
| 140 | S | 65.8 | Low | 78.3 | Confident | 27 Ų | 27 | 27.6 Ų | 27.6 | 19% | 0.189 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -127.6 | 149.1 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | S117 N119 R142 | S117-S140 WeakPolarHBondContact O-CB 3.5Å; S117-S140 PolarHBondContact O-OG 2.99Å; N119-S140 VanDerWaalsContact OD1-CA 3.26Å; N119-S140 WeakPolarHBondContact OD1-CA 3.43Å; N119-S140 WeakPolarHBondContact OD1-CB 3.35Å; N119-S140 PolarHBondContact OD1-N 2.99Å; N119-S140 PolarHBondContact OD1-O 2.81Å; S140-R142 PolarHBondContact O-N 3.27Å |
| 141 | N | 63.9 | Low | 78 | Confident | 37 Ų | 37 | 27.9 Ų | 27.9 | 20% | 0.198 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -75.6 | 24 | -174.8 | -48.4 | 22.2 | 0 | 0 | 0 | 112.7 | S165 N167 V169 Y170 | N141-S165 WeakPolarHBondContact ND2-CB 3.45Å; N141-S165 PolarHBondContact ND2-OG 2.83Å; N141-S165 VanDerWaalsContact OD1-CB 3.23Å; N141-S165 WeakPolarHBondContact OD1-CB 3.03Å; N141-S165 PolarHBondContact OD1-OG 3.4Å; N141-N167 PolarHBondContact ND2-O 2.57Å; N141-N167 VanDerWaalsContact ND2-O 3.08Å; N141-V169 CarbonylContact O-C 3.53Å; N141-V169 WeakPolarHBondContact O-CG1 3.42Å; N141-Y170 PolarHBondContact O-N 3.07Å |
| 142 | R | 68 | Low | 77.7 | Confident | 71 Ų | 71 | 28.8 Ų | 28.8 | 27% | 0.268 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 119.2 | -158.3 | -81.3 | -178.7 | 165.8 | -137.5 | -14 | 112.4 | S117 Y118 N119 S140 | S117-R142 VanDerWaalsContact O-CB 3.22Å; S117-R142 WeakPolarHBondContact O-CB 3Å; S117-R142 WeakPolarHBondContact O-CD 3.43Å; S117-R142 PolarHBondContact OG-NH1 3.43Å; Y118-R142 WeakPolarHBondContact CA-O 3.49Å; Y118-R142 HydrophobicContact CD1-CB 3.69Å; Y118-R142 HydrophobicContact CE1-CB 3.97Å; Y118-R142 HydrophobicContact CE1-CG 4.45Å; Y118-R142 HydrophobicContact CG-CB 4.07Å; N119-R142 PolarHBondContact N-O 2.87Å; S140-R142 PolarHBondContact O-N 3.27Å |
| 143 | I | 79 | Confident | 77.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.3 | -176.8 | -55.6 | 177.2 | 0 | 0 | 0 | 107.6 | L120 L138 L145 W159 T171 K172 | L120-I143 HydrophobicContact CB-CG2 4.2Å; L120-I143 HydrophobicContact CD2-CG2 4.24Å; L120-I143 HydrophobicContact CG-CG2 4.39Å; L120-I143 WeakPolarHBondContact O-CA 3.48Å; L138-I143 HydrophobicContact CD1-CD1 3.58Å; L138-I143 HydrophobicContact CD1-CG1 4.37Å; I143-L145 HydrophobicContact CG2-CD2 4.36Å; I143-L145 HydrophobicContact CG2-CG 4.21Å; I143-W159 HydrophobicContact CD1-CD2 3.82Å; I143-W159 HydrophobicContact CD1-CE3 3.14Å; I143-W159 HydrophobicContact CD1-CH2 4.32Å; I143-W159 HydrophobicContact CD1-CZ3 3.45Å; I143-W159 VanDerWaalsContact CD1-CZ3 3.45Å; I143-T171 HydrophobicContact CB-CG2 4.29Å; I143-K172 PolarHBondContact O-N 3.5Å |
| 144 | A | 77.2 | Confident | 77 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y118 L120 I121 I122 I146 | Y118-A144 HydrophobicContact CD1-CB 3.83Å; Y118-A144 HydrophobicContact CE1-CB 3.87Å; L120-A144 PolarHBondContact O-N 3.31Å; I121-A144 WeakPolarHBondContact CA-O 3.35Å; I121-A144 HydrophobicContact CB-CB 4.48Å; I121-A144 HydrophobicContact CG1-CB 4.24Å; I121-A144 HydrophobicContact CG2-CB 4.2Å; I122-A144 PolarHBondContact N-O 3.06Å; A144-I146 HydrophobicContact CB-CD1 4.17Å; A144-I146 HydrophobicContact CB-CG1 4.26Å |
| 145 | L | 83 | Confident | 76.4 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 99.7 | 176.8 | -58.2 | 176 | 0 | 0 | 0 | 107.4 | I122 V130 I143 M151 V154 K172 S173 Y174 | I122-L145 HydrophobicContact CB-CD2 3.87Å; I122-L145 HydrophobicContact CD1-CD2 4.04Å; I122-L145 HydrophobicContact CG1-CD2 4.05Å; I122-L145 WeakPolarHBondContact O-CA 3.48Å; V130-L145 HydrophobicContact CG2-CD2 4.4Å; I143-L145 HydrophobicContact CG2-CD2 4.36Å; I143-L145 HydrophobicContact CG2-CG 4.21Å; L145-M151 HydrophobicContact CB-SD 4.47Å; L145-M151 HydrophobicContact CD1-SD 4.06Å; L145-M151 HydrophobicContact CD2-SD 4.09Å; L145-M151 HydrophobicContact CG-SD 4.43Å; L145-V154 HydrophobicContact CD1-CG1 3.67Å; L145-V154 HydrophobicContact CD1-CG2 4.11Å; L145-K172 PolarHBondContact N-O 3.44Å; L145-S173 CarbonylContact O-C 3.53Å; L145-S173 WeakPolarHBondContact O-CA 3.46Å; L145-Y174 PolarHBondContact O-N 2.79Å |
| 146 | I | 73.2 | Confident | 76.2 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.1 | -163.4 | -48.7 | -172.2 | 0 | 0 | 0 | 111 | I122 R123 H124 A144 N148 Y174 F795 E796 | I122-I146 PolarHBondContact O-N 3.16Å; R123-I146 WeakPolarHBondContact CA-O 3.19Å; R123-I146 HydrophobicContact CB-CB 4.04Å; R123-I146 WeakPolarHBondContact CB-O 3.03Å; H124-I146 PolarHBondContact N-O 2.97Å; H124-I146 VanDerWaalsContact N-O 3.1Å; A144-I146 HydrophobicContact CB-CD1 4.17Å; A144-I146 HydrophobicContact CB-CG1 4.26Å; I146-N148 PolarHBondContact N-ND2 2.94Å; I146-N148 PolarHBondContact O-N 2.85Å; I146-Y174 HydrophobicContact CD1-CD2 4.33Å; I146-Y174 HydrophobicContact CG1-CD2 4.18Å; I146-Y174 HydrophobicContact CG2-CD2 4.48Å; I146-F795 HydrophobicContact CD1-CD1 3.64Å; I146-F795 HydrophobicContact CD1-CE1 3.47Å; I146-F795 VanDerWaalsContact CD1-CE1 3.47Å; I146-E796 HydrophobicContact CG2-CG 4.27Å; I146-E796 VanDerWaalsContact CG2-OE1 3.3Å; I146-E796 WeakPolarHBondContact CG2-OE1 3.47Å |
| 147 | D | 71.9 | Confident | 76.4 | Confident | 54 Ų | 54 | 29.6 Ų | 29.6 | 29% | 0.289 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 46.8 | 55.4 | -177.5 | -162.2 | 42.3 | 0 | 0 | 0 | 113.6 | H124 P149 Y174 S176 | H124-D147 VanDerWaalsContact CA-O 3.31Å; H124-D147 WeakPolarHBondContact CA-O 3.44Å; H124-D147 IonicContact CD2-OD2 2.67Å; H124-D147 PolarHBondContact CD2-OD2 2.68Å; H124-D147 PolarHBondContact N-O 3.49Å; D147-P149 VanDerWaalsContact C-CD 3.46Å; D147-P149 VanDerWaalsContact O-CD 3.27Å; D147-P149 WeakPolarHBondContact O-CD 3.26Å; D147-Y174 PolarHBondContact N-O 3.41Å; D147-S176 WeakPolarHBondContact OD1-CB 3.48Å; D147-S176 PolarHBondContact OD1-OG 3.11Å |
| 148 | N | 73.6 | Confident | 76.7 | Confident | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | trans | -110 | 78.2 | 169.1 | -53.9 | -59.6 | 0 | 0 | 0 | 108.4 | I122 H124 T125 I146 M150 M151 | I122-N148 PolarHBondContact O-ND2 3.24Å; H124-N148 PolarHBondContact N-OD1 3Å; T125-N148 WeakPolarHBondContact CB-OD1 3.49Å; T125-N148 PolarHBondContact N-OD1 3.02Å; T125-N148 WeakPolarHBondContact O-CA 3.44Å; T125-N148 PolarHBondContact OG1-OD1 3.08Å; I146-N148 PolarHBondContact N-ND2 2.94Å; I146-N148 PolarHBondContact O-N 2.85Å; N148-M150 PolarHBondContact O-N 2.96Å; N148-M151 HydrophobicContact CB-CB 3.94Å; N148-M151 HydrophobicContact CB-CE 3.84Å; N148-M151 HydrophobicContact CB-SD 4.24Å; N148-M151 WeakPolarHBondContact O-CB 3.31Å; N148-M151 PolarHBondContact O-N 2.87Å; N148-M151 VanDerWaalsContact O-N 3.11Å | ||
| 149 | P | 68.2 | Low | 76.8 | Confident | 56 Ų | 56 | 31 Ų | 31 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -11.5 | -163.7 | 26.1 | -36.4 | 0 | 0 | 0 | 115.2 | D147 V177 | D147-P149 VanDerWaalsContact C-CD 3.46Å; D147-P149 VanDerWaalsContact O-CD 3.27Å; D147-P149 WeakPolarHBondContact O-CD 3.26Å; P149-V177 HydrophobicContact CB-CG2 4.04Å |
| 150 | M | 77.1 | Confident | 77.1 | Confident | 93 Ų | 93 | 32.2 Ų | 32.2 | 46% | 0.458 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 1 | 177.8 | -56.8 | -75.1 | 80.6 | 0 | 0 | 113.5 | L127 K128 N148 C152 | L127-M150 CarbonylContact O-C 3.44Å; K128-M150 WeakPolarHBondContact CA-O 3.4Å; N148-M150 PolarHBondContact O-N 2.96Å; M150-C152 PolarHBondContact O-N 2.61Å |
| 151 | M | 82.3 | Confident | 77.7 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | trans | -82.9 | 106.2 | -166.3 | -165.4 | 177.9 | -83.2 | 0 | 0 | 113.7 | I122 L127 V130 L145 N148 V154 R175 | I122-M151 HydrophobicContact CB-CE 4.49Å; I122-M151 HydrophobicContact CD1-CE 4.31Å; I122-M151 HydrophobicContact CG2-CE 3.97Å; L127-M151 HydrophobicContact CB-CE 3.93Å; L127-M151 HydrophobicContact CD1-CE 4.48Å; L127-M151 WeakPolarHBondContact O-CA 3.08Å; L127-M151 PolarHBondContact O-N 2.75Å; V130-M151 HydrophobicContact CG2-CE 4.42Å; V130-M151 HydrophobicContact CG2-SD 4.12Å; L145-M151 HydrophobicContact CB-SD 4.47Å; L145-M151 HydrophobicContact CD1-SD 4.06Å; L145-M151 HydrophobicContact CD2-SD 4.09Å; L145-M151 HydrophobicContact CG-SD 4.43Å; N148-M151 HydrophobicContact CB-CB 3.94Å; N148-M151 HydrophobicContact CB-CE 3.84Å; N148-M151 HydrophobicContact CB-SD 4.24Å; N148-M151 WeakPolarHBondContact O-CB 3.31Å; N148-M151 PolarHBondContact O-N 2.87Å; N148-M151 VanDerWaalsContact O-N 3.11Å; M151-V154 HydrophobicContact CB-CG2 4.49Å; M151-V154 HydrophobicContact CG-CG2 3.68Å; M151-V154 HydrophobicContact SD-CG2 3.92Å; M151-R175 PolarHBondContact O-NH2 2.85Å; M151-R175 VanDerWaalsContact O-NH2 3.11Å | ||
| 152 | C | 82.4 | Confident | 78.4 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | trans | -93.1 | -178.9 | 168.2 | -57.2 | 0 | 0 | 0 | 0 | 111 | K128 M150 V154 C190 D192 | K128-C152 WeakPolarHBondContact O-CA 3.45Å; K128-C152 WeakPolarHBondContact O-CB 3.46Å; K128-C152 PolarHBondContact O-N 2.93Å; M150-C152 PolarHBondContact O-N 2.61Å; C152-V154 PolarHBondContact O-N 3.48Å; C152-V154 VanDerWaalsContact O-N 3.13Å; C152-C190 WeakPolarHBondContact CA-SG 3.35Å; C152-C190 HydrophobicContact CB-CB 3.65Å; C152-C190 WeakPolarHBondContact CB-SG 3.46Å; C152-C190 WeakPolarHBondContact SG-CB 3.43Å; C152-C190 CovalentContact SG-SG 2.04Å; C152-C190 PolarHBondContact SG-SG 3.14Å; C152-D192 WeakPolarHBondContact CB-OD1 3.42Å | ||
| 153 | F | 84.9 | Confident | 78.5 | Confident | 24 Ų | 24 | 28.5 Ų | 28.5 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 56.1 | 28.7 | 177.3 | -57 | -80.9 | 0 | 0 | 0 | 114.9 | T156 D192 W212 T214 | F153-T156 VanDerWaalsContact C-OG1 3.31Å; F153-T156 VanDerWaalsContact CA-OG1 3.24Å; F153-T156 WeakPolarHBondContact CA-OG1 3.4Å; F153-T156 WeakPolarHBondContact CB-OG1 3.18Å; F153-T156 HydrophobicContact CD1-CG2 4.12Å; F153-T156 PolarHBondContact O-OG1 3.47Å; F153-D192 PolarHBondContact N-OD1 3.14Å; F153-W212 VanDerWaalsContact CB-O 3.3Å; F153-W212 WeakPolarHBondContact CB-O 3.5Å; F153-T214 HydrophobicContact CE1-CG2 4.22Å; F153-T214 HydrophobicContact CE2-CG2 4.42Å; F153-T214 HydrophobicContact CZ-CG2 3.56Å |
| 154 | V | 81.9 | Confident | 77.4 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -85.1 | -35.1 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L145 M151 C152 W159 | L145-V154 HydrophobicContact CD1-CG1 3.67Å; L145-V154 HydrophobicContact CD1-CG2 4.11Å; M151-V154 HydrophobicContact CB-CG2 4.49Å; M151-V154 HydrophobicContact CG-CG2 3.68Å; M151-V154 HydrophobicContact SD-CG2 3.92Å; C152-V154 PolarHBondContact O-N 3.48Å; C152-V154 VanDerWaalsContact O-N 3.13Å; V154-W159 PolarHBondContact O-NE1 3.41Å |
| 155 | N | 75.7 | Confident | 76.2 | Confident | 112 Ų | 112 | 34.8 Ų | 34.8 | 60% | 0.599 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -90.6 | -10.7 | -177.3 | -66.6 | -5.8 | 0 | 0 | 0 | 113 | F201 | N155-F201 WeakPolarHBondContact O-CE2 3.4Š|
| 156 | T | 84.9 | Confident | 74.3 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -86 | -21.4 | 178.3 | 51 | 0 | 0 | 0 | 0 | 112.9 | F153 D192 F201 S210 C211 | F153-T156 VanDerWaalsContact C-OG1 3.31Å; F153-T156 VanDerWaalsContact CA-OG1 3.24Å; F153-T156 WeakPolarHBondContact CA-OG1 3.4Å; F153-T156 WeakPolarHBondContact CB-OG1 3.18Å; F153-T156 HydrophobicContact CD1-CG2 4.12Å; F153-T156 PolarHBondContact O-OG1 3.47Å; T156-D192 HydrophobicContact CG2-CB 3.86Å; T156-D192 WeakPolarHBondContact CG2-O 3.29Å; T156-F201 WeakPolarHBondContact O-CD2 3.45Å; T156-S210 VanDerWaalsContact O-CA 3.26Å; T156-S210 WeakPolarHBondContact O-CA 3.31Å; T156-S210 PolarHBondContact O-OG 2.88Å; T156-C211 CarbonylContact C-O 3.39Å; T156-C211 VanDerWaalsContact CB-O 3.28Å; T156-C211 WeakPolarHBondContact CB-O 3.45Å; T156-C211 PolarHBondContact O-N 3.14Å; T156-C211 PolarHBondContact OG1-O 3.13Å |
| 157 | V | 85.2 | Confident | 72.7 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -78 | 122.9 | 174.8 | 177 | 0 | 0 | 0 | 0 | 109.1 | W159 L162 W212 | V157-W159 VanDerWaalsContact C-N 3.3Å; V157-W159 HydrophobicContact CB-CD2 4.19Å; V157-W159 HydrophobicContact CB-CH2 4.45Å; V157-W159 HydrophobicContact CB-CZ2 3.9Å; V157-W159 HydrophobicContact CG1-CD2 3.67Å; V157-W159 HydrophobicContact CG1-CE3 3.79Å; V157-W159 HydrophobicContact CG1-CG 4.23Å; V157-W159 HydrophobicContact CG1-CH2 4.09Å; V157-W159 HydrophobicContact CG1-CZ2 3.95Å; V157-W159 HydrophobicContact CG1-CZ3 4Å; V157-W159 HydrophobicContact CG2-CZ2 4.31Å; V157-W159 PolarHBondContact O-N 2.95Å; V157-L162 HydrophobicContact CG1-CD1 3.86Å; V157-W212 HydrophobicContact CG1-CH2 3.75Å; V157-W212 HydrophobicContact CG1-CZ2 3.85Å; V157-W212 HydrophobicContact CG1-CZ3 4.12Å; V157-W212 HydrophobicContact CG2-CD2 3.69Å; V157-W212 HydrophobicContact CG2-CE3 3.53Å; V157-W212 HydrophobicContact CG2-CG 4.24Å; V157-W212 HydrophobicContact CG2-CH2 4.24Å; V157-W212 HydrophobicContact CG2-CZ2 4.39Å; V157-W212 HydrophobicContact CG2-CZ3 3.82Å |
| 158 | N | 84.4 | Confident | 71.1 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | trans | -77.7 | 85.1 | 171 | -176.2 | -17.3 | 0 | 0 | 0 | 108.8 | N160 A161 F201 Q218 | N158-N160 PolarHBondContact O-N 2.89Å; N158-N160 PolarHBondContact OD1-N 2.83Å; N158-A161 HydrophobicContact CB-CB 4.26Å; N158-A161 PolarHBondContact O-N 2.89Å; N158-A161 PolarHBondContact OD1-N 3.25Å; N158-A161 VanDerWaalsContact OD1-N 3.08Å; N158-F201 HydrophobicContact CB-CD1 4.46Å; N158-F201 HydrophobicContact CB-CD2 4.14Å; N158-F201 HydrophobicContact CB-CE1 4.32Å; N158-F201 HydrophobicContact CB-CE2 3.99Å; N158-F201 HydrophobicContact CB-CG 4.36Å; N158-F201 HydrophobicContact CB-CZ 4.07Å; N158-F201 PolarHBondContact ND2-O 3.35Å; N158-Q218 PolarHBondContact O-NE2 2.91Å; N158-Q218 VanDerWaalsContact O-NE2 3.11Å | ||
| 159 | W | 80.9 | Confident | 69.9 | Low | 21 Ų | 21 | 51.4 Ų | 51.4 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -31 | -179.7 | -59.4 | 103.1 | 0 | 0 | 0 | 113.1 | V130 L138 I143 V154 V157 A161 L162 T163 V169 T171 W212 | V130-W159 HydrophobicContact CG2-CH2 4.42Å; L138-W159 HydrophobicContact CD1-CE3 4.23Å; L138-W159 HydrophobicContact CD1-CZ3 4.35Å; I143-W159 HydrophobicContact CD1-CD2 3.82Å; I143-W159 HydrophobicContact CD1-CE3 3.14Å; I143-W159 HydrophobicContact CD1-CH2 4.32Å; I143-W159 HydrophobicContact CD1-CZ3 3.45Å; I143-W159 VanDerWaalsContact CD1-CZ3 3.45Å; V154-W159 PolarHBondContact O-NE1 3.41Å; V157-W159 VanDerWaalsContact C-N 3.3Å; V157-W159 HydrophobicContact CB-CD2 4.19Å; V157-W159 HydrophobicContact CB-CH2 4.45Å; V157-W159 HydrophobicContact CB-CZ2 3.9Å; V157-W159 HydrophobicContact CG1-CD2 3.67Å; V157-W159 HydrophobicContact CG1-CE3 3.79Å; V157-W159 HydrophobicContact CG1-CG 4.23Å; V157-W159 HydrophobicContact CG1-CH2 4.09Å; V157-W159 HydrophobicContact CG1-CZ2 3.95Å; V157-W159 HydrophobicContact CG1-CZ3 4Å; V157-W159 HydrophobicContact CG2-CZ2 4.31Å; V157-W159 PolarHBondContact O-N 2.95Å; W159-A161 VanDerWaalsContact C-N 3.34Å; W159-A161 PolarHBondContact O-N 2.79Å; W159-L162 HydrophobicContact CE3-CD1 3.83Å; W159-L162 HydrophobicContact CZ3-CD1 4.16Å; W159-L162 WeakPolarHBondContact O-CB 3.48Å; W159-L162 PolarHBondContact O-N 2.93Å; W159-L162 VanDerWaalsContact O-N 3.17Å; W159-T163 PolarHBondContact O-N 2.86Å; W159-T163 PolarHBondContact O-OG1 2.78Å; W159-V169 HydrophobicContact CB-CG1 4.25Å; W159-T171 HydrophobicContact CD2-CG2 4.48Å; W159-T171 HydrophobicContact CG-CG2 4.16Å; W159-W212 HydrophobicContact CH2-CH2 4.06Å; W159-W212 AromaticContact CH2-CZ3 3.81Å; W159-W212 HydrophobicContact CH2-CZ3 3.81Å; W159-W212 AromaticContact CZ3-CH2 3.89Å; W159-W212 HydrophobicContact CZ3-CH2 3.89Å; W159-W212 HydrophobicContact CZ3-CZ3 4.12Å |
| 160 | N | 76.3 | Confident | 68.7 | Low | 99 Ų | 99 | 54.4 Ų | 54.4 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.7 | -66.9 | -13.7 | 0 | 0 | 0 | 110.8 | N158 L162 T163 V169 | N158-N160 PolarHBondContact O-N 2.89Å; N158-N160 PolarHBondContact OD1-N 2.83Å; N160-L162 PolarHBondContact O-N 3.14Å; N160-T163 PolarHBondContact O-N 3.24Å; N160-T163 VanDerWaalsContact O-N 3.09Å; N160-T163 PolarHBondContact O-OG1 2.78Å; N160-V169 VanDerWaalsContact OD1-CG2 3.3Å; N160-V169 WeakPolarHBondContact OD1-CG2 3.05Å |
| 161 | A | 77 | Confident | 67.4 | Low | 44 Ų | 44 | 52.9 Ų | 52.9 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -29.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N158 W159 T163 R247 | N158-A161 HydrophobicContact CB-CB 4.26Å; N158-A161 PolarHBondContact O-N 2.89Å; N158-A161 PolarHBondContact OD1-N 3.25Å; N158-A161 VanDerWaalsContact OD1-N 3.08Å; W159-A161 VanDerWaalsContact C-N 3.34Å; W159-A161 PolarHBondContact O-N 2.79Å; A161-T163 VanDerWaalsContact C-N 3.33Å; A161-R247 PolarHBondContact O-NH1 2.81Å |
| 162 | L | 80 | Confident | 65.9 | Low | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.8 | -22.5 | 175.7 | -59.2 | 179 | 0 | 0 | 0 | 112.9 | L135 L138 V157 W159 N160 W212 R247 | L135-L162 HydrophobicContact CD2-CD1 4.21Å; L135-L162 WeakPolarHBondContact O-CD2 3.29Å; L138-L162 HydrophobicContact CB-CB 4.42Å; L138-L162 HydrophobicContact CD1-CB 4.13Å; L138-L162 HydrophobicContact CD1-CD1 4.16Å; L138-L162 HydrophobicContact CG-CB 4.19Å; L138-L162 PolarHBondContact N-O 2.79Å; V157-L162 HydrophobicContact CG1-CD1 3.86Å; W159-L162 HydrophobicContact CE3-CD1 3.83Å; W159-L162 HydrophobicContact CZ3-CD1 4.16Å; W159-L162 WeakPolarHBondContact O-CB 3.48Å; W159-L162 PolarHBondContact O-N 2.93Å; W159-L162 VanDerWaalsContact O-N 3.17Å; N160-L162 PolarHBondContact O-N 3.14Å; L162-W212 HydrophobicContact CD1-CH2 3.86Å; L162-W212 HydrophobicContact CD1-CZ2 3.79Å; L162-R247 PolarHBondContact O-NH1 3.06Å; L162-R247 VanDerWaalsContact O-NH1 3.17Å |
| 163 | T | 69.8 | Low | 64.4 | Low | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | trans | -96.6 | 164.5 | -178.7 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | L138 W159 N160 A161 V169 R247 | L138-T163 HydrophobicContact CB-CG2 4.22Å; L138-T163 WeakPolarHBondContact O-CA 3.21Å; W159-T163 PolarHBondContact O-N 2.86Å; W159-T163 PolarHBondContact O-OG1 2.78Å; N160-T163 PolarHBondContact O-N 3.24Å; N160-T163 VanDerWaalsContact O-N 3.09Å; N160-T163 PolarHBondContact O-OG1 2.78Å; A161-T163 VanDerWaalsContact C-N 3.33Å; T163-V169 HydrophobicContact CG2-CG2 3.87Å; T163-R247 PolarHBondContact O-NH2 2.8Å | ||
| 164 | T | 55.9 | Low | 62.6 | Low | 95 Ų | 95 | 57.3 Ų | 57.3 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -103.4 | -8.8 | 176.5 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 165 | S | 50.8 | Low | 61 | Low | 39 Ų | 39 | 60.9 Ų | 60.9 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -94.1 | 136.8 | -176.1 | 155.4 | 0 | 0 | 0 | 0 | 112.2 | N141 N167 | N141-S165 WeakPolarHBondContact ND2-CB 3.45Å; N141-S165 PolarHBondContact ND2-OG 2.83Å; N141-S165 VanDerWaalsContact OD1-CB 3.23Å; N141-S165 WeakPolarHBondContact OD1-CB 3.03Å; N141-S165 PolarHBondContact OD1-OG 3.4Å; S165-N167 VanDerWaalsContact C-N 3.32Å; S165-N167 WeakPolarHBondContact OG-CB 3.31Å; S165-N167 PolarHBondContact OG-N 3.47Å; S165-N167 PolarHBondContact OG-O 3.18Å | ||
| 166 | L | 44.3 | Very low | 59.4 | Low | 182 Ų | 182 | 57.7 Ų | 57.7 | 95% | 0.953 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -72.2 | -19.7 | 170.1 | -73 | 162.8 | 0 | 0 | 0 | 114 | ||
| 167 | N | 39.3 | Very low | 57.3 | Low | 123 Ų | 123 | 58.5 Ų | 58.5 | 66% | 0.658 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -71.5 | 139.9 | 172.9 | -64.7 | -16.9 | 0 | 0 | 0 | 110.6 | N141 S165 | N141-N167 PolarHBondContact ND2-O 2.57Å; N141-N167 VanDerWaalsContact ND2-O 3.08Å; S165-N167 VanDerWaalsContact C-N 3.32Å; S165-N167 WeakPolarHBondContact OG-CB 3.31Å; S165-N167 PolarHBondContact OG-N 3.47Å; S165-N167 PolarHBondContact OG-O 3.18Å |
| 168 | S | 38.7 | Very low | 55.2 | Low | 99 Ų | 99 | 67.7 Ų | 67.7 | 69% | 0.692 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -51 | 139.3 | -175.7 | 48.7 | 0 | 0 | 0 | 0 | 114 | Y170 | S168-Y170 PolarHBondContact O-N 2.87Š|
| 169 | V | 47.5 | Very low | 53.1 | Low | 16 Ų | 16 | 71.6 Ų | 71.6 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 119 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | N141 W159 N160 T163 T171 | N141-V169 CarbonylContact O-C 3.53Å; N141-V169 WeakPolarHBondContact O-CG1 3.42Å; W159-V169 HydrophobicContact CB-CG1 4.25Å; N160-V169 VanDerWaalsContact OD1-CG2 3.3Å; N160-V169 WeakPolarHBondContact OD1-CG2 3.05Å; T163-V169 HydrophobicContact CG2-CG2 3.87Å; V169-T171 VanDerWaalsContact C-N 3.27Å; V169-T171 HydrophobicContact CG1-CG2 4.01Å; V169-T171 PolarHBondContact O-N 2.84Å |
| 170 | Y | 43.9 | Very low | 51.1 | Low | 119 Ų | 119 | 75.3 Ų | 75.3 | 47% | 0.467 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 67.2 | -177.1 | -155.2 | -95.9 | 0 | 0 | 0 | 110.5 | N141 S168 K172 | N141-Y170 PolarHBondContact O-N 3.07Å; S168-Y170 PolarHBondContact O-N 2.87Å; Y170-K172 HydrophobicContact CD1-CG 4.2Å; Y170-K172 HydrophobicContact CE1-CD 3.79Å; Y170-K172 HydrophobicContact CE1-CG 3.81Å; Y170-K172 PolarHBondContact O-N 2.87Å; Y170-K172 VanDerWaalsContact O-N 3.11Å |
| 171 | T | 49.3 | Very low | 49.4 | Very low | 60 Ų | 60 | 73 Ų | 73 | 37% | 0.368 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 87.4 | 174.3 | 38.3 | 0 | 0 | 0 | 0 | 111.1 | I143 W159 V169 S173 | I143-T171 HydrophobicContact CB-CG2 4.29Å; W159-T171 HydrophobicContact CD2-CG2 4.48Å; W159-T171 HydrophobicContact CG-CG2 4.16Å; V169-T171 VanDerWaalsContact C-N 3.27Å; V169-T171 HydrophobicContact CG1-CG2 4.01Å; V169-T171 PolarHBondContact O-N 2.84Å; T171-S173 VanDerWaalsContact C-N 3.3Å; T171-S173 PolarHBondContact O-N 2.81Å |
| 172 | K | 50.5 | Low | 47.6 | Very low | 60 Ų | 60 | 75.1 Ų | 75.1 | 26% | 0.261 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 85.5 | 167 | -87.9 | -168.9 | 164.3 | -166.3 | 0 | 110.1 | I143 L145 Y170 Y174 | I143-K172 PolarHBondContact O-N 3.5Å; L145-K172 PolarHBondContact N-O 3.44Å; Y170-K172 HydrophobicContact CD1-CG 4.2Å; Y170-K172 HydrophobicContact CE1-CD 3.79Å; Y170-K172 HydrophobicContact CE1-CG 3.81Å; Y170-K172 PolarHBondContact O-N 2.87Å; Y170-K172 VanDerWaalsContact O-N 3.11Å; K172-Y174 HydrophobicContact CB-CD2 4.26Å; K172-Y174 HydrophobicContact CB-CE2 4.04Å; K172-Y174 HydrophobicContact CD-CE2 3.76Å; K172-Y174 HydrophobicContact CG-CE2 4.3Å; K172-Y174 PolarHBondContact NZ-OH 2.9Å; K172-Y174 PolarHBondContact O-N 3.37Å |
| 173 | S | 50.3 | Low | 45.5 | Very low | 46 Ų | 46 | 84.4 Ų | 84.4 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 89.5 | 167.9 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | L145 T171 R175 | L145-S173 CarbonylContact O-C 3.53Å; L145-S173 WeakPolarHBondContact O-CA 3.46Å; T171-S173 VanDerWaalsContact C-N 3.3Å; T171-S173 PolarHBondContact O-N 2.81Å; S173-R175 PolarHBondContact O-N 3.47Å |
| 174 | Y | 48.1 | Very low | 43.9 | Very low | 38 Ų | 38 | 91.4 Ų | 91.4 | 15% | 0.149 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 73.9 | 172.8 | -75 | -72.9 | 0 | 0 | 0 | 109.6 | L145 I146 D147 K172 S176 M792 | L145-Y174 PolarHBondContact O-N 2.79Å; I146-Y174 HydrophobicContact CD1-CD2 4.33Å; I146-Y174 HydrophobicContact CG1-CD2 4.18Å; I146-Y174 HydrophobicContact CG2-CD2 4.48Å; D147-Y174 PolarHBondContact N-O 3.41Å; K172-Y174 HydrophobicContact CB-CD2 4.26Å; K172-Y174 HydrophobicContact CB-CE2 4.04Å; K172-Y174 HydrophobicContact CD-CE2 3.76Å; K172-Y174 HydrophobicContact CG-CE2 4.3Å; K172-Y174 PolarHBondContact NZ-OH 2.9Å; K172-Y174 PolarHBondContact O-N 3.37Å; Y174-S176 PolarHBondContact O-N 3.26Å; Y174-M792 HydrophobicContact CD1-CB 4.2Å; Y174-M792 HydrophobicContact CD1-CG 3.73Å; Y174-M792 HydrophobicContact CD1-SD 3.6Å; Y174-M792 HydrophobicContact CD2-CG 4.14Å; Y174-M792 HydrophobicContact CE1-CB 3.62Å; Y174-M792 HydrophobicContact CE1-CG 3.66Å; Y174-M792 HydrophobicContact CE1-SD 4.01Å; Y174-M792 HydrophobicContact CE2-CB 4.35Å; Y174-M792 HydrophobicContact CE2-CG 4.06Å; Y174-M792 HydrophobicContact CG-CG 3.97Å; Y174-M792 HydrophobicContact CG-SD 4.01Å |
| 175 | R | 48.1 | Very low | 43 | Very low | 79 Ų | 79 | 93 Ų | 93 | 30% | 0.298 | 46% | 0.455 | S | S | . | . | trans | -64.5 | 97.7 | 163.3 | -80.5 | -175.1 | 167.5 | 174.8 | -2.2 | 108.3 | M151 S173 V177 R178 | M151-R175 PolarHBondContact O-NH2 2.85Å; M151-R175 VanDerWaalsContact O-NH2 3.11Å; S173-R175 PolarHBondContact O-N 3.47Å; R175-V177 PolarHBondContact O-N 2.89Å; R175-R178 HydrophobicContact CB-CB 4.29Å; R175-R178 WeakPolarHBondContact O-CB 3.41Å; R175-R178 PolarHBondContact O-N 2.88Å | ||
| 176 | S | 41.7 | Very low | 42.4 | Very low | 45 Ų | 45 | 95 Ų | 95 | 32% | 0.315 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -19 | 166.3 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | D147 Y174 Q180 | D147-S176 WeakPolarHBondContact OD1-CB 3.48Å; D147-S176 PolarHBondContact OD1-OG 3.11Å; Y174-S176 PolarHBondContact O-N 3.26Å; S176-Q180 PolarHBondContact O-NE2 2.98Å |
| 177 | V | 40.5 | Very low | 42 | Very low | 30 Ų | 30 | 89.3 Ų | 89.3 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -16.7 | 171.5 | -140 | 0 | 0 | 0 | 0 | 113.8 | P149 R175 E179 Q180 I181 | P149-V177 HydrophobicContact CB-CG2 4.04Å; R175-V177 PolarHBondContact O-N 2.89Å; V177-E179 PolarHBondContact O-N 3.35Å; V177-Q180 HydrophobicContact CG1-CB 4.39Å; V177-Q180 CarbonylContact O-C 3.57Å; V177-Q180 WeakPolarHBondContact O-CA 3.34Å; V177-Q180 WeakPolarHBondContact O-CB 3.49Å; V177-Q180 PolarHBondContact O-N 3.11Å; V177-I181 HydrophobicContact CB-CD1 4.01Å; V177-I181 HydrophobicContact CG1-CD1 3.89Å; V177-I181 HydrophobicContact CG1-CG1 3.99Å; V177-I181 WeakPolarHBondContact O-CG1 3.25Å; V177-I181 PolarHBondContact O-N 3.36Å |
| 178 | R | 42.9 | Very low | 42.5 | Very low | 195 Ų | 195 | 91.8 Ų | 91.8 | 74% | 0.736 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.1 | -36.9 | -177.5 | -158.1 | 176.8 | -170.8 | -179.2 | 2.1 | 112.1 | R175 Q180 V182 | R175-R178 HydrophobicContact CB-CB 4.29Å; R175-R178 WeakPolarHBondContact O-CB 3.41Å; R175-R178 PolarHBondContact O-N 2.88Å; R178-Q180 PolarHBondContact O-N 3.17Å; R178-V182 WeakPolarHBondContact O-CG2 3.32Å; R178-V182 PolarHBondContact O-N 3.02Å |
| 179 | E | 39.7 | Very low | 43.3 | Very low | 100 Ų | 100 | 93.7 Ų | 93.7 | 47% | 0.467 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.9 | -19.7 | 169.2 | -69.5 | -166.6 | 158.7 | 0 | 0 | 113 | V177 R183 R789 | V177-E179 PolarHBondContact O-N 3.35Å; E179-R183 WeakPolarHBondContact O-CB 3.07Å; E179-R183 WeakPolarHBondContact O-CD 3.22Å; E179-R183 VanDerWaalsContact O-CG 3.28Å; E179-R183 WeakPolarHBondContact O-CG 3.42Å; E179-R789 IonicContact OE1-CZ 3.19Å; E179-R789 IonicContact OE1-NH1 2.73Å; E179-R789 PolarHBondContact OE1-NH1 3.37Å; E179-R789 IonicContact OE2-CZ 3.51Å; E179-R789 IonicContact OE2-NH1 3.87Å; E179-R789 PolarHBondContact OE2-NH1 3.5Å; E179-R789 IonicContact OE2-NH2 3.63Å |
| 180 | Q | 38.7 | Very low | 44.2 | Very low | 100 Ų | 100 | 94.3 Ų | 94.3 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -95.8 | -44.7 | -177 | -59.7 | -176.9 | 49.9 | 0 | 0 | 112.1 | S176 V177 R178 V182 R183 Y184 | S176-Q180 PolarHBondContact O-NE2 2.98Å; V177-Q180 HydrophobicContact CG1-CB 4.39Å; V177-Q180 CarbonylContact O-C 3.57Å; V177-Q180 WeakPolarHBondContact O-CA 3.34Å; V177-Q180 WeakPolarHBondContact O-CB 3.49Å; V177-Q180 PolarHBondContact O-N 3.11Å; R178-Q180 PolarHBondContact O-N 3.17Å; Q180-V182 VanDerWaalsContact C-N 3.34Å; Q180-V182 PolarHBondContact O-N 3.07Å; Q180-R183 PolarHBondContact O-N 3.42Å; Q180-R183 VanDerWaalsContact O-N 3.09Å; Q180-Y184 HydrophobicContact CB-CD2 4.28Å; Q180-Y184 HydrophobicContact CB-CE2 4.44Å; Q180-Y184 WeakPolarHBondContact O-CB 3.38Å; Q180-Y184 WeakPolarHBondContact O-CD2 3.47Å; Q180-Y184 PolarHBondContact O-N 2.84Å |
| 181 | I | 40.4 | Very low | 45.1 | Very low | 50 Ų | 50 | 92.3 Ų | 92.3 | 26% | 0.256 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 177.3 | -73.1 | 159.9 | 0 | 0 | 0 | 110.5 | V177 R183 Y184 N185 L186 | V177-I181 HydrophobicContact CB-CD1 4.01Å; V177-I181 HydrophobicContact CG1-CD1 3.89Å; V177-I181 HydrophobicContact CG1-CG1 3.99Å; V177-I181 WeakPolarHBondContact O-CG1 3.25Å; V177-I181 PolarHBondContact O-N 3.36Å; I181-R183 VanDerWaalsContact C-N 3.3Å; I181-R183 PolarHBondContact O-N 3.14Å; I181-Y184 PolarHBondContact O-N 3.14Å; I181-N185 PolarHBondContact O-N 3.41Å; I181-L186 WeakPolarHBondContact CG2-O 3.33Å; I181-L186 PolarHBondContact O-N 3.42Å |
| 182 | V | 39.5 | Very low | 46.4 | Very low | 89 Ų | 89 | 91.1 Ų | 91.1 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.6 | -25.9 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | R178 Q180 | R178-V182 WeakPolarHBondContact O-CG2 3.32Å; R178-V182 PolarHBondContact O-N 3.02Å; Q180-V182 VanDerWaalsContact C-N 3.34Å; Q180-V182 PolarHBondContact O-N 3.07Å |
| 183 | R | 35.6 | Very low | 47.8 | Very low | 198 Ų | 198 | 95 Ų | 95 | 75% | 0.747 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -81.5 | -19.5 | 175 | -86.9 | -176.4 | 170.8 | 170.5 | -0.5 | 114.7 | E179 Q180 I181 | E179-R183 WeakPolarHBondContact O-CB 3.07Å; E179-R183 WeakPolarHBondContact O-CD 3.22Å; E179-R183 VanDerWaalsContact O-CG 3.28Å; E179-R183 WeakPolarHBondContact O-CG 3.42Å; Q180-R183 PolarHBondContact O-N 3.42Å; Q180-R183 VanDerWaalsContact O-N 3.09Å; I181-R183 VanDerWaalsContact C-N 3.3Å; I181-R183 PolarHBondContact O-N 3.14Å |
| 184 | Y | 36.3 | Very low | 49.4 | Very low | 157 Ų | 157 | 94 Ų | 94 | 62% | 0.616 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -124.2 | 5.9 | -171.7 | -64 | -53 | 0 | 0 | 0 | 114.3 | Q180 I181 L186 | Q180-Y184 HydrophobicContact CB-CD2 4.28Å; Q180-Y184 HydrophobicContact CB-CE2 4.44Å; Q180-Y184 WeakPolarHBondContact O-CB 3.38Å; Q180-Y184 WeakPolarHBondContact O-CD2 3.47Å; Q180-Y184 PolarHBondContact O-N 2.84Å; I181-Y184 PolarHBondContact O-N 3.14Å; Y184-L186 HydrophobicContact CD2-CD1 4.49Å; Y184-L186 PolarHBondContact O-N 2.64Å; Y184-L186 VanDerWaalsContact O-N 3.12Å |
| 185 | N | 37.6 | Very low | 51.2 | Low | 128 Ų | 128 | 94.6 Ų | 94.6 | 68% | 0.684 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 30 | -174.7 | -73.3 | -11.6 | 0 | 0 | 0 | 113.8 | I181 G187 S734 | I181-N185 PolarHBondContact O-N 3.41Å; N185-G187 VanDerWaalsContact C-N 3.26Å; N185-G187 PolarHBondContact O-N 2.67Å; N185-S734 PolarHBondContact OD1-OG 3.05Å |
| 186 | L | 38 | Very low | 52.8 | Low | 81 Ų | 81 | 94.6 Ų | 94.6 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | trans | -80.9 | 70 | -178.6 | -69.9 | 171.5 | 0 | 0 | 0 | 111.2 | I181 Y184 F189 | I181-L186 WeakPolarHBondContact CG2-O 3.33Å; I181-L186 PolarHBondContact O-N 3.42Å; Y184-L186 HydrophobicContact CD2-CD1 4.49Å; Y184-L186 PolarHBondContact O-N 2.64Å; Y184-L186 VanDerWaalsContact O-N 3.12Å; L186-F189 HydrophobicContact CB-CD2 4.5Å | ||
| 187 | G | 36.2 | Very low | 54.8 | Low | 63 Ų | 63 | 97 Ų | 97 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 147 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N185 F189 | N185-G187 VanDerWaalsContact C-N 3.26Å; N185-G187 PolarHBondContact O-N 2.67Å; G187-F189 PolarHBondContact O-N 2.91Å |
| 188 | E | 49.4 | Very low | 57.1 | Low | 174 Ų | 174 | 96 Ų | 96 | 81% | 0.813 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 47.1 | 169.7 | -55.3 | -164.9 | 163.7 | 0 | 0 | 117.4 | C190 | E188-C190 PolarHBondContact O-N 2.89Š|
| 189 | F | 56.1 | Low | 59 | Low | 139 Ų | 139 | 88.2 Ų | 88.2 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -67.8 | -13.9 | 163 | -124.8 | -79.1 | 0 | 0 | 0 | 114 | L186 G187 | L186-F189 HydrophobicContact CB-CD2 4.5Å; G187-F189 PolarHBondContact O-N 2.91Å |
| 190 | C | 65.1 | Low | 61 | Low | 29 Ų | 29 | 85.9 Ų | 85.9 | 20% | 0.196 | 47% | 0.467 | C | S | . | . | trans | -135.6 | 121.3 | 170.5 | -65.3 | 0 | 0 | 0 | 0 | 107.1 | C152 E188 D192 | C152-C190 WeakPolarHBondContact CA-SG 3.35Å; C152-C190 HydrophobicContact CB-CB 3.65Å; C152-C190 WeakPolarHBondContact CB-SG 3.46Å; C152-C190 WeakPolarHBondContact SG-CB 3.43Å; C152-C190 CovalentContact SG-SG 2.04Å; C152-C190 PolarHBondContact SG-SG 3.14Å; E188-C190 PolarHBondContact O-N 2.89Å; C190-D192 VanDerWaalsContact C-N 3.26Å; C190-D192 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 191 | P | 64 | Low | 63 | Low | 78 Ų | 78 | 82.6 Ų | 82.6 | 51% | 0.506 | 45% | 0.451 | S | S | . | . | trans | -72.3 | -23.1 | 173.9 | 28.9 | -34 | 0 | 0 | 0 | 112 | Q193 | P191-Q193 HydrophobicContact CB-CG 4.2Å; P191-Q193 PolarHBondContact O-N 2.93Å | ||
| 192 | D | 75.4 | Confident | 64.5 | Low | 34 Ų | 34 | 84.4 Ų | 84.4 | 18% | 0.182 | 46% | 0.455 | C | S | . | . | trans | 47.7 | 29.4 | -179.7 | -78.1 | 0.6 | 0 | 0 | 0 | 113.5 | C152 F153 T156 C190 C194 | C152-D192 WeakPolarHBondContact CB-OD1 3.42Å; F153-D192 PolarHBondContact N-OD1 3.14Å; T156-D192 HydrophobicContact CG2-CB 3.86Å; T156-D192 WeakPolarHBondContact CG2-O 3.29Å; C190-D192 VanDerWaalsContact C-N 3.26Å; C190-D192 WeakPolarHBondContact CB-OD1 3.47Å; D192-C194 PolarHBondContact O-N 3.38Å | ||
| 193 | Q | 80.8 | Confident | 65.8 | Low | 142 Ų | 142 | 87.8 Ų | 87.8 | 66% | 0.664 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 116.9 | -179.8 | -71.5 | 178 | 10 | 0 | 0 | 110.9 | P191 | P191-Q193 HydrophobicContact CB-CG 4.2Å; P191-Q193 PolarHBondContact O-N 2.93Å |
| 194 | C | 83.9 | Confident | 67.1 | Low | 25 Ų | 25 | 86.1 Ų | 86.1 | 17% | 0.169 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 147.4 | 169.6 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | D192 F209 C211 | D192-C194 PolarHBondContact O-N 3.38Å; C194-F209 HydrophobicContact CB-CB 3.93Å; C194-F209 PolarHBondContact SG-O 3.05Å; C194-C211 WeakPolarHBondContact CA-SG 3.42Å; C194-C211 HydrophobicContact CB-CB 3.67Å; C194-C211 WeakPolarHBondContact CB-SG 3.32Å; C194-C211 WeakPolarHBondContact SG-CB 3.45Å; C194-C211 PolarHBondContact SG-N 3.09Å; C194-C211 CovalentContact SG-SG 2.03Å; C194-C211 PolarHBondContact SG-SG 3.41Å |
| 195 | S | 84.7 | Confident | 68.3 | Low | 50 Ų | 50 | 79.9 Ų | 79.9 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 140.4 | 168.6 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | S197 C198 | S195-S197 WeakPolarHBondContact CB-OG 3.47Å; S195-S197 PolarHBondContact O-N 2.72Å; S195-S197 VanDerWaalsContact O-N 3.08Å; S195-S197 PolarHBondContact OG-N 3.27Å; S195-S197 PolarHBondContact OG-OG 2.9Å; S195-C198 VanDerWaalsContact O-CB 3.32Å; S195-C198 WeakPolarHBondContact O-CB 3.27Å; S195-C198 PolarHBondContact O-N 2.91Å |
| 196 | A | 81.9 | Confident | 69.6 | Low | 79 Ų | 79 | 78.1 Ų | 78.1 | 65% | 0.653 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C198 F209 | A196-C198 VanDerWaalsContact C-N 3.32Å; A196-F209 HydrophobicContact CB-CE2 4Å; A196-F209 HydrophobicContact CB-CZ 4.07Å |
| 197 | S | 85.2 | Confident | 71.1 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 68% | 0.678 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.4 | 168.7 | 68.3 | 0 | 0 | 0 | 0 | 114 | S195 | S195-S197 WeakPolarHBondContact CB-OG 3.47Å; S195-S197 PolarHBondContact O-N 2.72Å; S195-S197 VanDerWaalsContact O-N 3.08Å; S195-S197 PolarHBondContact OG-N 3.27Å; S195-S197 PolarHBondContact OG-OG 2.9Å |
| 198 | C | 87.4 | Confident | 73.1 | Confident | 7 Ų | 7 | 78.5 Ų | 78.5 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -86.9 | 161.1 | 176.9 | -61 | 0 | 0 | 0 | 0 | 111.8 | S195 A196 F209 C217 | S195-C198 VanDerWaalsContact O-CB 3.32Å; S195-C198 WeakPolarHBondContact O-CB 3.27Å; S195-C198 PolarHBondContact O-N 2.91Å; A196-C198 VanDerWaalsContact C-N 3.32Å; C198-F209 HydrophobicContact CB-CB 3.87Å; C198-F209 VanDerWaalsContact O-CD1 3.23Å; C198-F209 WeakPolarHBondContact O-CD1 3.22Å; C198-C217 WeakPolarHBondContact CA-SG 3.45Å; C198-C217 HydrophobicContact CB-CB 3.6Å; C198-C217 WeakPolarHBondContact CB-SG 3.37Å; C198-C217 WeakPolarHBondContact SG-CA 3.38Å; C198-C217 WeakPolarHBondContact SG-CB 3.22Å; C198-C217 CovalentContact SG-SG 2.04Å; C198-C217 PolarHBondContact SG-SG 3.32Å |
| 199 | P | 83.2 | Confident | 74.8 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 21% | 0.214 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -61 | 144.6 | 176.6 | -21.8 | 33.5 | 0 | 0 | 0 | 112.1 | F209 S210 E220 | P199-F209 CarbonylContact O-C 3.48Å; P199-F209 WeakPolarHBondContact O-CA 3.48Å; P199-F209 WeakPolarHBondContact O-CB 3.42Å; P199-S210 PolarHBondContact O-N 3.08Å; P199-E220 HydrophobicContact CB-CG 4.27Å; P199-E220 VanDerWaalsContact CB-OE2 3.3Å; P199-E220 WeakPolarHBondContact CB-OE2 3.26Å; P199-E220 HydrophobicContact CG-CB 4.28Å; P199-E220 HydrophobicContact CG-CG 4.1Å |
| 200 | P | 82.2 | Confident | 76.4 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131.8 | 175 | 30.8 | -34.7 | 0 | 0 | 0 | 110.4 | Y202 F209 | P200-Y202 PolarHBondContact O-N 3.27Å; P200-F209 HydrophobicContact CB-CD1 4.42Å |
| 201 | F | 79.6 | Confident | 77.6 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | -28.8 | -171.5 | -179.1 | -61.8 | 0 | 0 | 0 | 112.1 | N155 T156 N158 R208 S210 F767 | N155-F201 WeakPolarHBondContact O-CE2 3.4Å; T156-F201 WeakPolarHBondContact O-CD2 3.45Å; N158-F201 HydrophobicContact CB-CD1 4.46Å; N158-F201 HydrophobicContact CB-CD2 4.14Å; N158-F201 HydrophobicContact CB-CE1 4.32Å; N158-F201 HydrophobicContact CB-CE2 3.99Å; N158-F201 HydrophobicContact CB-CG 4.36Å; N158-F201 HydrophobicContact CB-CZ 4.07Å; N158-F201 PolarHBondContact ND2-O 3.35Å; F201-R208 HydrophobicContact CB-CB 4.28Å; F201-R208 WeakPolarHBondContact CB-O 3.2Å; F201-R208 PolarHBondContact N-O 3.06Å; F201-S210 WeakPolarHBondContact CA-OG 3.29Å; F201-S210 WeakPolarHBondContact CB-OG 3.42Å; F201-S210 WeakPolarHBondContact CD2-OG 3.38Å; F201-S210 WeakPolarHBondContact CG-OG 3.39Å; F201-F767 HydrophobicContact CB-CZ 3.81Å; F201-F767 AromaticContact CD1-CE1 3.52Å; F201-F767 HydrophobicContact CD1-CE1 3.52Å; F201-F767 AromaticContact CD1-CZ 3.55Å; F201-F767 HydrophobicContact CD1-CZ 3.55Å; F201-F767 AromaticContact CE1-CE1 3.91Å; F201-F767 HydrophobicContact CE1-CE1 3.91Å; F201-F767 HydrophobicContact CE1-CZ 4.39Å; F201-F767 HydrophobicContact CG-CE1 4.17Å; F201-F767 AromaticContact CG-CZ 3.86Å; F201-F767 HydrophobicContact CG-CZ 3.86Å |
| 202 | Y | 72.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.2 | 160.9 | -61.6 | -37.4 | 0 | 0 | 0 | 109.7 | P200 N204 D205 F767 S768 | P200-Y202 PolarHBondContact O-N 3.27Å; Y202-N204 PolarHBondContact O-N 2.68Å; Y202-D205 HydrophobicContact CD2-CB 4.38Å; Y202-D205 PolarHBondContact O-N 2.95Å; Y202-F767 AromaticContact CD2-CD1 3.99Å; Y202-F767 HydrophobicContact CD2-CD1 3.99Å; Y202-F767 AromaticContact CD2-CE1 3.5Å; Y202-F767 HydrophobicContact CD2-CE1 3.5Å; Y202-F767 VanDerWaalsContact CD2-CE1 3.5Å; Y202-F767 HydrophobicContact CD2-CE2 4.14Å; Y202-F767 HydrophobicContact CD2-CG 4.5Å; Y202-F767 AromaticContact CD2-CZ 3.53Å; Y202-F767 HydrophobicContact CD2-CZ 3.53Å; Y202-F767 HydrophobicContact CE1-CE1 4.29Å; Y202-F767 AromaticContact CE2-CD1 3.41Å; Y202-F767 HydrophobicContact CE2-CD1 3.41Å; Y202-F767 VanDerWaalsContact CE2-CD1 3.41Å; Y202-F767 AromaticContact CE2-CE1 3.16Å; Y202-F767 HydrophobicContact CE2-CE1 3.16Å; Y202-F767 HydrophobicContact CE2-CG 4.21Å; Y202-F767 AromaticContact CE2-CZ 3.74Å; Y202-F767 HydrophobicContact CE2-CZ 3.74Å; Y202-F767 HydrophobicContact CG-CE1 4.2Å; Y202-F767 HydrophobicContact CG-CZ 4.02Å; Y202-F767 AromaticContact CZ-CE1 3.62Å; Y202-S768 VanDerWaalsContact CE2-O 3.25Å; Y202-S768 WeakPolarHBondContact CE2-O 3.42Å |
| 203 | R | 67 | Low | 79.3 | Confident | 159 Ų | 159 | 60 Ų | 60 | 60% | 0.6 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -27.5 | -178.9 | -70.7 | -172.1 | -179.1 | -168.3 | -2.5 | 114.8 | T226 D227 | R203-T226 PolarHBondContact NH2-OG1 2.02Å; R203-D227 IonicContact CZ-OD1 2.81Å; R203-D227 VanDerWaalsContact CZ-OD1 3.27Å; R203-D227 IonicContact CZ-OD2 2.64Å; R203-D227 VanDerWaalsContact NH1-CG 3.29Å; R203-D227 IonicContact NH1-OD1 3.82Å; R203-D227 PolarHBondContact NH1-OD1 3.08Å; R203-D227 IonicContact NH1-OD2 2.73Å; R203-D227 PolarHBondContact NH1-OD2 2.87Å; R203-D227 IonicContact NH2-OD1 3.97Å; R203-D227 PolarHBondContact NH2-OD1 3.36Å; R203-D227 IonicContact NH2-OD2 2.7Å |
| 204 | N | 62.2 | Low | 79.4 | Confident | 164 Ų | 164 | 56.5 Ų | 56.5 | 88% | 0.877 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 3.1 | -176.5 | -62.4 | 26.3 | 0 | 0 | 0 | 113.4 | Y202 | Y202-N204 PolarHBondContact O-N 2.68Š|
| 205 | D | 61.8 | Low | 79.3 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 90.7 | -178.7 | -161.7 | -17.7 | 0 | 0 | 0 | 110.3 | Y202 S207 F767 S768 | Y202-D205 HydrophobicContact CD2-CB 4.38Å; Y202-D205 PolarHBondContact O-N 2.95Å; D205-S207 PolarHBondContact O-N 3.18Å; D205-S207 WeakPolarHBondContact OD1-CB 3.2Å; D205-S207 PolarHBondContact OD1-OG 2.89Å; D205-F767 HydrophobicContact CB-CE2 4.32Å; D205-F767 WeakPolarHBondContact OD2-CA 3.36Å; D205-F767 PolarHBondContact OD2-N 2.82Å; D205-F767 VanDerWaalsContact OD2-N 3.09Å; D205-S768 PolarHBondContact OD2-N 3.36Å |
| 206 | S | 65.9 | Low | 79.5 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 63% | 0.629 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 33.8 | -171 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | F209 | S206-F209 WeakPolarHBondContact O-CZ 3.39Å |
| 207 | S | 69.3 | Low | 79.8 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | -22.5 | -161.6 | 75.1 | 0 | 0 | 0 | 0 | 115.3 | D205 I766 | D205-S207 PolarHBondContact O-N 3.18Å; D205-S207 WeakPolarHBondContact OD1-CB 3.2Å; D205-S207 PolarHBondContact OD1-OG 2.89Å; S207-I766 WeakPolarHBondContact OG-CG2 3.28Å |
| 208 | R | 76.8 | Confident | 80 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 47% | 0.468 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.1 | 152.1 | -56.3 | -179.5 | -172 | 147.7 | 10.3 | 108.8 | F201 I766 F767 | F201-R208 HydrophobicContact CB-CB 4.28Å; F201-R208 WeakPolarHBondContact CB-O 3.2Å; F201-R208 PolarHBondContact N-O 3.06Å; R208-I766 HydrophobicContact CG-CG2 3.46Å; R208-I766 VanDerWaalsContact CG-CG2 3.46Å; R208-I766 PolarHBondContact NH2-O 3.42Å; R208-F767 HydrophobicContact CB-CD2 4.13Å; R208-F767 HydrophobicContact CB-CE2 3.44Å; R208-F767 VanDerWaalsContact CB-CE2 3.44Å; R208-F767 HydrophobicContact CB-CZ 3.81Å; R208-F767 HydrophobicContact CG-CD2 3.65Å; R208-F767 HydrophobicContact CG-CE2 3.5Å; R208-F767 HydrophobicContact CG-CG 4.42Å; R208-F767 HydrophobicContact CG-CZ 4.12Å; R208-F767 VanDerWaalsContact CZ-CG 3.46Å; R208-F767 VanDerWaalsContact NH1-CG 3.31Å |
| 209 | F | 86.9 | Confident | 79.8 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 20% | 0.202 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 157.5 | 175.5 | -49.8 | -83.9 | 0 | 0 | 0 | 109.7 | C194 A196 C198 P199 P200 S206 | C194-F209 HydrophobicContact CB-CB 3.93Å; C194-F209 PolarHBondContact SG-O 3.05Å; A196-F209 HydrophobicContact CB-CE2 4Å; A196-F209 HydrophobicContact CB-CZ 4.07Å; C198-F209 HydrophobicContact CB-CB 3.87Å; C198-F209 VanDerWaalsContact O-CD1 3.23Å; C198-F209 WeakPolarHBondContact O-CD1 3.22Å; P199-F209 CarbonylContact O-C 3.48Å; P199-F209 WeakPolarHBondContact O-CA 3.48Å; P199-F209 WeakPolarHBondContact O-CB 3.42Å; P200-F209 HydrophobicContact CB-CD1 4.42Å; S206-F209 WeakPolarHBondContact O-CZ 3.39Å |
| 210 | S | 88.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -95.9 | 119.8 | -179.4 | -77.7 | 0 | 0 | 0 | 0 | 112.3 | T156 P199 F201 Q218 | T156-S210 VanDerWaalsContact O-CA 3.26Å; T156-S210 WeakPolarHBondContact O-CA 3.31Å; T156-S210 PolarHBondContact O-OG 2.88Å; P199-S210 PolarHBondContact O-N 3.08Å; F201-S210 WeakPolarHBondContact CA-OG 3.29Å; F201-S210 WeakPolarHBondContact CB-OG 3.42Å; F201-S210 WeakPolarHBondContact CD2-OG 3.38Å; F201-S210 WeakPolarHBondContact CG-OG 3.39Å; S210-Q218 PolarHBondContact O-N 3.1Å | ||
| 211 | C | 90.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 155.7 | -179.8 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | T156 C194 S213 S216 | T156-C211 CarbonylContact C-O 3.39Å; T156-C211 VanDerWaalsContact CB-O 3.28Å; T156-C211 WeakPolarHBondContact CB-O 3.45Å; T156-C211 PolarHBondContact O-N 3.14Å; T156-C211 PolarHBondContact OG1-O 3.13Å; C194-C211 WeakPolarHBondContact CA-SG 3.42Å; C194-C211 HydrophobicContact CB-CB 3.67Å; C194-C211 WeakPolarHBondContact CB-SG 3.32Å; C194-C211 WeakPolarHBondContact SG-CB 3.45Å; C194-C211 PolarHBondContact SG-N 3.09Å; C194-C211 CovalentContact SG-SG 2.03Å; C194-C211 PolarHBondContact SG-SG 3.41Å; C211-S213 WeakPolarHBondContact CB-O 3.21Å; C211-S213 PolarHBondContact SG-O 3.04Å; C211-S216 WeakPolarHBondContact CA-O 3.47Å; C211-S216 WeakPolarHBondContact CB-O 3.42Å |
| 212 | W | 89.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -18.8 | 175.5 | -65.3 | 91.1 | 0 | 0 | 0 | 113 | V130 L132 W133 L135 F153 V157 W159 L162 S216 | V130-W212 HydrophobicContact CB-CE3 3.97Å; V130-W212 HydrophobicContact CB-CZ3 3.82Å; V130-W212 HydrophobicContact CG1-CE3 4.2Å; V130-W212 HydrophobicContact CG1-CZ3 3.68Å; L132-W212 HydrophobicContact CB-CH2 4.39Å; L132-W212 HydrophobicContact CB-CZ3 4.31Å; L132-W212 WeakPolarHBondContact O-CZ2 3.47Å; W133-W212 HydrophobicContact CB-CG 4.35Å; L135-W212 HydrophobicContact CB-CZ2 4.14Å; L135-W212 HydrophobicContact CD2-CH2 3.85Å; L135-W212 HydrophobicContact CD2-CZ2 4.21Å; F153-W212 VanDerWaalsContact CB-O 3.3Å; F153-W212 WeakPolarHBondContact CB-O 3.5Å; V157-W212 HydrophobicContact CG1-CH2 3.75Å; V157-W212 HydrophobicContact CG1-CZ2 3.85Å; V157-W212 HydrophobicContact CG1-CZ3 4.12Å; V157-W212 HydrophobicContact CG2-CD2 3.69Å; V157-W212 HydrophobicContact CG2-CE3 3.53Å; V157-W212 HydrophobicContact CG2-CG 4.24Å; V157-W212 HydrophobicContact CG2-CH2 4.24Å; V157-W212 HydrophobicContact CG2-CZ2 4.39Å; V157-W212 HydrophobicContact CG2-CZ3 3.82Å; W159-W212 HydrophobicContact CH2-CH2 4.06Å; W159-W212 AromaticContact CH2-CZ3 3.81Å; W159-W212 HydrophobicContact CH2-CZ3 3.81Å; W159-W212 AromaticContact CZ3-CH2 3.89Å; W159-W212 HydrophobicContact CZ3-CH2 3.89Å; W159-W212 HydrophobicContact CZ3-CZ3 4.12Å; L162-W212 HydrophobicContact CD1-CH2 3.86Å; L162-W212 HydrophobicContact CD1-CZ2 3.79Å; W212-S216 PolarHBondContact N-O 2.77Å |
| 213 | S | 85.5 | Confident | 80.1 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 173.4 | 172.8 | 76.4 | 0 | 0 | 0 | 0 | 108.5 | C211 N215 S216 | C211-S213 WeakPolarHBondContact CB-O 3.21Å; C211-S213 PolarHBondContact SG-O 3.04Å; S213-N215 PolarHBondContact O-N 3.04Å; S213-N215 PolarHBondContact OG-N 3.39Å; S213-S216 PolarHBondContact N-O 2.67Å; S213-S216 PolarHBondContact O-N 3.42Å; S213-S216 VanDerWaalsContact OG-CB 3.3Å; S213-S216 WeakPolarHBondContact OG-CB 3.38Å; S213-S216 PolarHBondContact OG-N 3.21Å; S213-S216 VanDerWaalsContact OG-N 3.12Å; S213-S216 PolarHBondContact OG-OG 3.04Å |
| 214 | T | 82.6 | Confident | 80.9 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -32.2 | 174.1 | 55 | 0 | 0 | 0 | 0 | 113.5 | F153 | F153-T214 HydrophobicContact CE1-CG2 4.22Å; F153-T214 HydrophobicContact CE2-CG2 4.42Å; F153-T214 HydrophobicContact CZ-CG2 3.56Å |
| 215 | N | 82.4 | Confident | 82 | Confident | 143 Ų | 143 | 44.4 Ų | 44.4 | 77% | 0.765 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -7.1 | -170.1 | -60.4 | 11.7 | 0 | 0 | 0 | 113 | S213 | S213-N215 PolarHBondContact O-N 3.04Å; S213-N215 PolarHBondContact OG-N 3.39Å |
| 216 | S | 87.5 | Confident | 82.8 | Confident | 30 Ų | 30 | 46 Ų | 46 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 96.4 | -173.6 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | C211 W212 S213 | C211-S216 WeakPolarHBondContact CA-O 3.47Å; C211-S216 WeakPolarHBondContact CB-O 3.42Å; W212-S216 PolarHBondContact N-O 2.77Å; S213-S216 PolarHBondContact N-O 2.67Å; S213-S216 PolarHBondContact O-N 3.42Å; S213-S216 VanDerWaalsContact OG-CB 3.3Å; S213-S216 WeakPolarHBondContact OG-CB 3.38Å; S213-S216 PolarHBondContact OG-N 3.21Å; S213-S216 VanDerWaalsContact OG-N 3.12Å; S213-S216 PolarHBondContact OG-OG 3.04Å |
| 217 | C | 89.9 | Confident | 83.4 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 25% | 0.25 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 158.5 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | C198 | C198-C217 WeakPolarHBondContact CA-SG 3.45Å; C198-C217 HydrophobicContact CB-CB 3.6Å; C198-C217 WeakPolarHBondContact CB-SG 3.37Å; C198-C217 WeakPolarHBondContact SG-CA 3.38Å; C198-C217 WeakPolarHBondContact SG-CB 3.22Å; C198-C217 CovalentContact SG-SG 2.04Å; C198-C217 PolarHBondContact SG-SG 3.32Å |
| 218 | Q | 89.1 | Confident | 83.8 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | trans | -71.6 | 128.5 | 169.5 | -178.3 | 163.3 | -24.3 | 0 | 0 | 110 | N158 S210 E220 | N158-Q218 PolarHBondContact O-NE2 2.91Å; N158-Q218 VanDerWaalsContact O-NE2 3.11Å; S210-Q218 PolarHBondContact O-N 3.1Å; Q218-E220 HydrophobicContact CG-CG 4.49Å; Q218-E220 PolarHBondContact O-N 2.88Å | ||
| 219 | A | 83.2 | Confident | 83.8 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | trans | -76.7 | 89.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W133 | W133-A219 VanDerWaalsContact O-CB 3.27Å; W133-A219 WeakPolarHBondContact O-CB 3.48Å | ||
| 220 | E | 79 | Confident | 83.7 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 157.5 | 173.3 | -60.7 | -167.2 | 162 | 0 | 0 | 112.4 | P199 Q218 P237 | P199-E220 HydrophobicContact CB-CG 4.27Å; P199-E220 VanDerWaalsContact CB-OE2 3.3Å; P199-E220 WeakPolarHBondContact CB-OE2 3.26Å; P199-E220 HydrophobicContact CG-CB 4.28Å; P199-E220 HydrophobicContact CG-CG 4.1Å; Q218-E220 HydrophobicContact CG-CG 4.49Å; Q218-E220 PolarHBondContact O-N 2.88Å; E220-P237 WeakPolarHBondContact O-CB 3.44Å |
| 221 | C | 81.4 | Confident | 83.3 | Confident | 24 Ų | 24 | 47 Ų | 47 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 156.5 | 170.2 | -69 | 0 | 0 | 0 | 0 | 110.6 | C225 T226 C232 | C221-C225 HydrophobicContact CB-CB 4.42Å; C221-T226 HydrophobicContact CB-CG2 3.85Å; C221-C232 WeakPolarHBondContact CA-SG 3.23Å; C221-C232 HydrophobicContact CB-CB 3.58Å; C221-C232 WeakPolarHBondContact CB-SG 3.02Å; C221-C232 WeakPolarHBondContact SG-CB 3.29Å; C221-C232 PolarHBondContact SG-N 3.49Å; C221-C232 CovalentContact SG-SG 2.03Å; C221-C232 PolarHBondContact SG-SG 3.23Å |
| 222 | N | 82.5 | Confident | 83.1 | Confident | 37 Ų | 37 | 47 Ų | 47 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -54 | 135.5 | 170.7 | 177.1 | -35.1 | 0 | 0 | 0 | 109.8 | V224 C225 T226 P237 Q238 | N222-V224 PolarHBondContact O-N 2.81Å; N222-V224 VanDerWaalsContact O-N 3.11Å; N222-V224 WeakPolarHBondContact OD1-CB 3.41Å; N222-V224 WeakPolarHBondContact OD1-CG2 3.47Å; N222-V224 PolarHBondContact OD1-N 3.2Å; N222-C225 WeakPolarHBondContact O-CA 3.16Å; N222-C225 WeakPolarHBondContact O-CB 3.06Å; N222-C225 PolarHBondContact O-N 3.26Å; N222-T226 PolarHBondContact O-N 2.78Å; N222-P237 VanDerWaalsContact CB-O 3.29Å; N222-P237 WeakPolarHBondContact CB-O 3.4Å; N222-P237 PolarHBondContact N-O 3Å; N222-Q238 PolarHBondContact ND2-OE1 2.8Å |
| 223 | P | 80.1 | Confident | 83 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -44.1 | -39.9 | 174 | -32.5 | 36.4 | 0 | 0 | 0 | 114.8 | C225 T226 D227 | P223-C225 PolarHBondContact O-N 2.84Å; P223-T226 WeakPolarHBondContact CA-OG1 3.45Å; P223-T226 PolarHBondContact O-N 2.63Å; P223-T226 VanDerWaalsContact O-N 3.13Å; P223-T226 PolarHBondContact O-OG1 2.85Å; P223-T226 VanDerWaalsContact O-OG1 3.1Å; P223-D227 WeakPolarHBondContact O-CB 2.94Å; P223-D227 PolarHBondContact O-N 2.82Å |
| 224 | V | 84 | Confident | 82.7 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 53% | 0.533 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58 | -32.5 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | N222 N228 | N222-V224 PolarHBondContact O-N 2.81Å; N222-V224 VanDerWaalsContact O-N 3.11Å; N222-V224 WeakPolarHBondContact OD1-CB 3.41Å; N222-V224 WeakPolarHBondContact OD1-CG2 3.47Å; N222-V224 PolarHBondContact OD1-N 3.2Å; V224-N228 PolarHBondContact O-ND2 3.26Å |
| 225 | C | 85.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.6 | -48.6 | 173 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | C221 N222 P223 D227 N228 G229 L230 C232 C240 | C221-C225 HydrophobicContact CB-CB 4.42Å; N222-C225 WeakPolarHBondContact O-CA 3.16Å; N222-C225 WeakPolarHBondContact O-CB 3.06Å; N222-C225 PolarHBondContact O-N 3.26Å; P223-C225 PolarHBondContact O-N 2.84Å; C225-D227 VanDerWaalsContact C-N 3.31Å; C225-D227 PolarHBondContact O-N 3.08Å; C225-N228 PolarHBondContact O-N 3.49Å; C225-G229 PolarHBondContact O-N 3.04Å; C225-L230 CarbonylContact C-O 3.45Å; C225-L230 HydrophobicContact CB-CB 4.29Å; C225-L230 WeakPolarHBondContact O-CA 2.79Å; C225-L230 WeakPolarHBondContact O-CB 3.33Å; C225-L230 PolarHBondContact O-N 3.42Å; C225-C232 HydrophobicContact CB-CB 4.49Å; C225-C240 WeakPolarHBondContact CA-SG 3.28Å; C225-C240 HydrophobicContact CB-CB 3.86Å; C225-C240 WeakPolarHBondContact CB-SG 3.33Å; C225-C240 WeakPolarHBondContact SG-CA 3.34Å; C225-C240 WeakPolarHBondContact SG-CB 3.06Å; C225-C240 PolarHBondContact SG-N 2.86Å; C225-C240 CovalentContact SG-SG 2.05Å; C225-C240 PolarHBondContact SG-SG 2.87Å |
| 226 | T | 78.1 | Confident | 82.7 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 37% | 0.368 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | -175.6 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | R203 C221 N222 P223 N228 G229 | R203-T226 PolarHBondContact NH2-OG1 2.02Å; C221-T226 HydrophobicContact CB-CG2 3.85Å; N222-T226 PolarHBondContact O-N 2.78Å; P223-T226 WeakPolarHBondContact CA-OG1 3.45Å; P223-T226 PolarHBondContact O-N 2.63Å; P223-T226 VanDerWaalsContact O-N 3.13Å; P223-T226 PolarHBondContact O-OG1 2.85Å; P223-T226 VanDerWaalsContact O-OG1 3.1Å; T226-N228 VanDerWaalsContact C-N 3.35Å; T226-G229 WeakPolarHBondContact O-CA 3.37Å; T226-G229 PolarHBondContact O-N 3.48Å |
| 227 | D | 77.6 | Confident | 82.4 | Confident | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80.5 | -24.3 | -172.3 | -61.8 | 6.9 | 0 | 0 | 0 | 110.8 | R203 P223 C225 G229 | R203-D227 IonicContact CZ-OD1 2.81Å; R203-D227 VanDerWaalsContact CZ-OD1 3.27Å; R203-D227 IonicContact CZ-OD2 2.64Å; R203-D227 VanDerWaalsContact NH1-CG 3.29Å; R203-D227 IonicContact NH1-OD1 3.82Å; R203-D227 PolarHBondContact NH1-OD1 3.08Å; R203-D227 IonicContact NH1-OD2 2.73Å; R203-D227 PolarHBondContact NH1-OD2 2.87Å; R203-D227 IonicContact NH2-OD1 3.97Å; R203-D227 PolarHBondContact NH2-OD1 3.36Å; R203-D227 IonicContact NH2-OD2 2.7Å; P223-D227 WeakPolarHBondContact O-CB 2.94Å; P223-D227 PolarHBondContact O-N 2.82Å; C225-D227 VanDerWaalsContact C-N 3.31Å; C225-D227 PolarHBondContact O-N 3.08Å; D227-G229 VanDerWaalsContact C-N 3.31Å |
| 228 | N | 78.4 | Confident | 82.1 | Confident | 115 Ų | 115 | 52.5 Ų | 52.5 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 5.9 | 164.6 | -70.3 | -61.8 | 0 | 0 | 0 | 113.3 | V224 C225 T226 L230 | V224-N228 PolarHBondContact O-ND2 3.26Å; C225-N228 PolarHBondContact O-N 3.49Å; T226-N228 VanDerWaalsContact C-N 3.35Å; N228-L230 VanDerWaalsContact C-N 3.26Å; N228-L230 HydrophobicContact CB-CD1 4.12Å; N228-L230 HydrophobicContact CB-CG 4Å; N228-L230 PolarHBondContact O-N 2.73Å |
| 229 | G | 76.4 | Confident | 82.2 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 24 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | C225 T226 D227 K261 | C225-G229 PolarHBondContact O-N 3.04Å; T226-G229 WeakPolarHBondContact O-CA 3.37Å; T226-G229 PolarHBondContact O-N 3.48Å; D227-G229 VanDerWaalsContact C-N 3.31Å; G229-K261 PolarHBondContact O-NZ 2.87Å |
| 230 | L | 84.5 | Confident | 82.4 | Confident | 48 Ų | 48 | 59 Ų | 59 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | trans | -95.6 | 153.6 | 179.7 | -55.5 | 178.4 | 0 | 0 | 0 | 111.8 | C225 N228 C240 | C225-L230 CarbonylContact C-O 3.45Å; C225-L230 HydrophobicContact CB-CB 4.29Å; C225-L230 WeakPolarHBondContact O-CA 2.79Å; C225-L230 WeakPolarHBondContact O-CB 3.33Å; C225-L230 PolarHBondContact O-N 3.42Å; N228-L230 VanDerWaalsContact C-N 3.26Å; N228-L230 HydrophobicContact CB-CD1 4.12Å; N228-L230 HydrophobicContact CB-CG 4Å; N228-L230 PolarHBondContact O-N 2.73Å; L230-C240 HydrophobicContact CB-CB 4.23Å; L230-C240 HydrophobicContact CD1-CB 3.81Å | ||
| 231 | A | 81.5 | Confident | 82.9 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | trans | -75.8 | 171.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C240 C241 C245 R247 | A231-C240 CarbonylContact O-C 3.52Å; A231-C240 VanDerWaalsContact O-CA 3.3Å; A231-C240 WeakPolarHBondContact O-CA 3.03Å; A231-C241 VanDerWaalsContact C-SG 3.55Å; A231-C241 HydrophobicContact CB-CB 3.81Å; A231-C241 VanDerWaalsContact CB-SG 3.57Å; A231-C241 PolarHBondContact O-N 3.28Å; A231-C245 HydrophobicContact CB-CB 4.12Å; A231-C245 WeakPolarHBondContact CB-O 3.28Å; A231-R247 VanDerWaalsContact CB-N 3.32Å | ||
| 232 | C | 86.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153 | 169.5 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | K136 C221 C225 K239 G248 | K136-C232 PolarHBondContact NZ-SG 2.83Å; K136-C232 VanDerWaalsContact NZ-SG 3.38Å; C221-C232 WeakPolarHBondContact CA-SG 3.23Å; C221-C232 HydrophobicContact CB-CB 3.58Å; C221-C232 WeakPolarHBondContact CB-SG 3.02Å; C221-C232 WeakPolarHBondContact SG-CB 3.29Å; C221-C232 PolarHBondContact SG-N 3.49Å; C221-C232 CovalentContact SG-SG 2.03Å; C221-C232 PolarHBondContact SG-SG 3.23Å; C225-C232 HydrophobicContact CB-CB 4.49Å; C232-K239 CarbonylContact C-O 3.41Å; C232-K239 VanDerWaalsContact CA-O 3.27Å; C232-K239 WeakPolarHBondContact CA-O 3.48Å; C232-K239 WeakPolarHBondContact CB-O 3.17Å; C232-G248 WeakPolarHBondContact O-CA 3.28Å |
| 233 | H | 87.6 | Confident | 83.7 | Confident | 39 Ų | 39 | 58 Ų | 58 | 18% | 0.181 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 142.2 | -179.8 | -173.3 | -77.4 | 0 | 0 | 0 | 111.4 | D235 N236 K239 C249 T250 | H233-D235 IonicContact CE1-OD2 3.64Å; H233-D235 PolarHBondContact ND1-N 3.45Å; H233-D235 PolarHBondContact O-N 3.44Å; H233-N236 HydrophobicContact CB-CB 4.32Å; H233-N236 WeakPolarHBondContact CB-O 3.26Å; H233-N236 PolarHBondContact ND1-N 3.27Å; H233-N236 CarbonylContact O-C 3.58Å; H233-N236 PolarHBondContact O-N 2.86Å; H233-K239 HydrophobicContact CB-CB 4.06Å; H233-K239 PolarHBondContact N-O 3.44Å; H233-C249 WeakPolarHBondContact CA-O 3.49Å; H233-T250 PolarHBondContact NE2-O 3.14Å |
| 234 | V | 78.5 | Confident | 84.2 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -56.9 | -174.7 | 177.3 | 0 | 0 | 0 | 0 | 111 | C249 L258 | V234-C249 WeakPolarHBondContact CG2-O 3.45Å; V234-C249 PolarHBondContact N-O 3.26Å; V234-L258 HydrophobicContact CG2-CD1 3.4Å; V234-L258 VanDerWaalsContact CG2-CD1 3.4Å; V234-L258 HydrophobicContact CG2-CD2 4.41Å; V234-L258 HydrophobicContact CG2-CG 3.99Å |
| 235 | D | 80.3 | Confident | 84.3 | Confident | 111 Ų | 111 | 51.8 Ų | 51.8 | 59% | 0.594 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 5.6 | -175 | -42.9 | -75.8 | 0 | 0 | 0 | 114 | K134 H233 | K134-D235 IonicContact NZ-OD1 3.29Å; K134-D235 PolarHBondContact NZ-OD1 3.25Å; H233-D235 IonicContact CE1-OD2 3.64Å; H233-D235 PolarHBondContact ND1-N 3.45Å; H233-D235 PolarHBondContact O-N 3.44Å |
| 236 | N | 84.9 | Confident | 83.6 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 84.9 | 178.7 | -169.2 | -24.3 | 0 | 0 | 0 | 111.7 | H233 Q238 K239 | H233-N236 HydrophobicContact CB-CB 4.32Å; H233-N236 WeakPolarHBondContact CB-O 3.26Å; H233-N236 PolarHBondContact ND1-N 3.27Å; H233-N236 CarbonylContact O-C 3.58Å; H233-N236 PolarHBondContact O-N 2.86Å; N236-Q238 PolarHBondContact O-N 2.79Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.45Å; N236-Q238 PolarHBondContact OD1-N 2.96Å; N236-K239 PolarHBondContact O-N 3.1Å |
| 237 | P | 81.2 | Confident | 83.2 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | -12 | -177.4 | -26.8 | 36.3 | 0 | 0 | 0 | 116.2 | E220 N222 | E220-P237 WeakPolarHBondContact O-CB 3.44Å; N222-P237 VanDerWaalsContact CB-O 3.29Å; N222-P237 WeakPolarHBondContact CB-O 3.4Å; N222-P237 PolarHBondContact N-O 3Å |
| 238 | Q | 84.3 | Confident | 83.3 | Confident | 133 Ų | 133 | 48.9 Ų | 48.9 | 62% | 0.621 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -20.2 | 176.3 | -54.4 | -63.7 | -22.5 | 0 | 0 | 113 | N222 N236 | N222-Q238 PolarHBondContact ND2-OE1 2.8Å; N236-Q238 PolarHBondContact O-N 2.79Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.45Å; N236-Q238 PolarHBondContact OD1-N 2.96Å |
| 239 | K | 89.5 | Confident | 83.7 | Confident | 131 Ų | 131 | 43.5 Ų | 43.5 | 57% | 0.57 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.4 | 176.1 | -68.8 | -171.7 | 177.8 | -173.7 | 0 | 109.8 | C232 H233 N236 | C232-K239 CarbonylContact C-O 3.41Å; C232-K239 VanDerWaalsContact CA-O 3.27Å; C232-K239 WeakPolarHBondContact CA-O 3.48Å; C232-K239 WeakPolarHBondContact CB-O 3.17Å; H233-K239 HydrophobicContact CB-CB 4.06Å; H233-K239 PolarHBondContact N-O 3.44Å; N236-K239 PolarHBondContact O-N 3.1Å |
| 240 | C | 88.7 | Confident | 84.1 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 153.6 | 170 | -46.3 | 0 | 0 | 0 | 0 | 110.8 | C225 L230 A231 | C225-C240 WeakPolarHBondContact CA-SG 3.28Å; C225-C240 HydrophobicContact CB-CB 3.86Å; C225-C240 WeakPolarHBondContact CB-SG 3.33Å; C225-C240 WeakPolarHBondContact SG-CA 3.34Å; C225-C240 WeakPolarHBondContact SG-CB 3.06Å; C225-C240 PolarHBondContact SG-N 2.86Å; C225-C240 CovalentContact SG-SG 2.05Å; C225-C240 PolarHBondContact SG-SG 2.87Å; L230-C240 HydrophobicContact CB-CB 4.23Å; L230-C240 HydrophobicContact CD1-CB 3.81Å; A231-C240 CarbonylContact O-C 3.52Å; A231-C240 VanDerWaalsContact O-CA 3.3Å; A231-C240 WeakPolarHBondContact O-CA 3.03Å |
| 241 | C | 89.9 | Confident | 84.1 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.054 | 23% | 0.233 | C | C | . | . | trans | -89.3 | 177.1 | 173.5 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | A231 C245 C249 | A231-C241 VanDerWaalsContact C-SG 3.55Å; A231-C241 HydrophobicContact CB-CB 3.81Å; A231-C241 VanDerWaalsContact CB-SG 3.57Å; A231-C241 PolarHBondContact O-N 3.28Å; C241-C245 HydrophobicContact CB-CB 3.6Å; C241-C249 VanDerWaalsContact CA-SG 3.53Å; C241-C249 HydrophobicContact CB-CB 3.69Å; C241-C249 WeakPolarHBondContact CB-SG 3.4Å; C241-C249 WeakPolarHBondContact SG-CB 3.38Å; C241-C249 PolarHBondContact SG-N 2.91Å; C241-C249 CovalentContact SG-SG 2.02Å; C241-C249 PolarHBondContact SG-SG 3.24Å | ||
| 242 | D | 91.4 | Very high | 84.3 | Confident | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | trans | -54 | 149.9 | 163.5 | -168 | -84.3 | 0 | 0 | 0 | 111.9 | E244 C245 P254 | D242-E244 PolarHBondContact O-N 2.98Å; D242-E244 WeakPolarHBondContact OD1-CB 3.22Å; D242-E244 PolarHBondContact OD1-N 3.26Å; D242-C245 WeakPolarHBondContact O-CB 3.37Å; D242-C245 PolarHBondContact O-N 3.3Å; D242-P254 HydrophobicContact CB-CB 4.21Å; D242-P254 WeakPolarHBondContact OD2-CD 3.39Å | ||
| 243 | S | 89 | Confident | 84.4 | Confident | 60 Ų | 60 | 50 Ų | 50 | 42% | 0.42 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.9 | 174.5 | 36.7 | 0 | 0 | 0 | 0 | 114.9 | K261 | S243-K261 WeakPolarHBondContact O-CD 3.49Å; S243-K261 PolarHBondContact O-NZ 3.17Å |
| 244 | E | 89.8 | Confident | 84.5 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -0.4 | 179.7 | -61.6 | -57 | 149.1 | 0 | 0 | 113.4 | D242 C260 K261 H262 C269 L270 N271 | D242-E244 PolarHBondContact O-N 2.98Å; D242-E244 WeakPolarHBondContact OD1-CB 3.22Å; D242-E244 PolarHBondContact OD1-N 3.26Å; E244-C260 CarbonylContact O-C 3.59Å; E244-C260 WeakPolarHBondContact O-CA 3.21Å; E244-K261 WeakPolarHBondContact O-CB 3.36Å; E244-K261 PolarHBondContact O-N 2.86Å; E244-H262 IonicContact OE1-CE1 3.62Å; E244-H262 IonicContact OE1-ND1 2.71Å; E244-H262 IonicContact OE2-CE1 3.72Å; E244-H262 IonicContact OE2-CG 3.8Å; E244-H262 IonicContact OE2-ND1 3.53Å; E244-H262 PolarHBondContact OE2-ND1 3.38Å; E244-C269 HydrophobicContact CB-CB 3.97Å; E244-L270 VanDerWaalsContact OE2-C 3.32Å; E244-N271 VanDerWaalsContact OE1-CB 3.29Å; E244-N271 WeakPolarHBondContact OE1-CB 3.14Å; E244-N271 PolarHBondContact OE1-ND2 3.31Å; E244-N271 VanDerWaalsContact OE2-CA 3.28Å; E244-N271 WeakPolarHBondContact OE2-CA 3.08Å; E244-N271 PolarHBondContact OE2-N 2.96Å |
| 245 | C | 86.7 | Confident | 85 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 133.9 | 172.2 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | A231 C241 D242 C257 | A231-C245 HydrophobicContact CB-CB 4.12Å; A231-C245 WeakPolarHBondContact CB-O 3.28Å; C241-C245 HydrophobicContact CB-CB 3.6Å; D242-C245 WeakPolarHBondContact O-CB 3.37Å; D242-C245 PolarHBondContact O-N 3.3Å; C245-C257 WeakPolarHBondContact CA-SG 3.42Å; C245-C257 HydrophobicContact CB-CB 3.64Å; C245-C257 WeakPolarHBondContact CB-SG 3.31Å; C245-C257 WeakPolarHBondContact SG-CA 2.97Å; C245-C257 WeakPolarHBondContact SG-CB 3.01Å; C245-C257 CovalentContact SG-SG 2.03Å; C245-C257 PolarHBondContact SG-SG 3.37Å |
| 246 | S | 71.6 | Confident | 85.4 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | trans | -98.4 | 112.1 | 173.9 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | G248 S259 C260 | S246-G248 PolarHBondContact O-N 3.04Å; S246-S259 PolarHBondContact N-O 3.37Å; S246-C260 VanDerWaalsContact CB-O 3.25Å; S246-C260 WeakPolarHBondContact CB-O 3.33Å | ||
| 247 | R | 69.3 | Low | 85.4 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 52.5 | -2.5 | 171.8 | -65.7 | 175.8 | 174.4 | -123.3 | 5.4 | 118.6 | K136 S137 A161 L162 T163 A231 | K136-R247 HydrophobicContact CB-CB 4.41Å; K136-R247 WeakPolarHBondContact CD-O 3.33Å; K136-R247 WeakPolarHBondContact O-CD 3.22Å; K136-R247 PolarHBondContact O-NH1 2.91Å; S137-R247 VanDerWaalsContact CB-CD 3.48Å; S137-R247 WeakPolarHBondContact OG-CD 3.48Å; A161-R247 PolarHBondContact O-NH1 2.81Å; L162-R247 PolarHBondContact O-NH1 3.06Å; L162-R247 VanDerWaalsContact O-NH1 3.17Å; T163-R247 PolarHBondContact O-NH2 2.8Å; A231-R247 VanDerWaalsContact CB-N 3.32Å |
| 248 | G | 79.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -167.4 | 156.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | C232 S246 L258 | C232-G248 WeakPolarHBondContact O-CA 3.28Å; S246-G248 PolarHBondContact O-N 3.04Å; G248-L258 PolarHBondContact O-N 2.03Å | ||
| 249 | C | 86.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -153.4 | 158.8 | 175.8 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | H233 V234 C241 G251 Q256 | H233-C249 WeakPolarHBondContact CA-O 3.49Å; V234-C249 WeakPolarHBondContact CG2-O 3.45Å; V234-C249 PolarHBondContact N-O 3.26Å; C241-C249 VanDerWaalsContact CA-SG 3.53Å; C241-C249 HydrophobicContact CB-CB 3.69Å; C241-C249 WeakPolarHBondContact CB-SG 3.4Å; C241-C249 WeakPolarHBondContact SG-CB 3.38Å; C241-C249 PolarHBondContact SG-N 2.91Å; C241-C249 CovalentContact SG-SG 2.02Å; C241-C249 PolarHBondContact SG-SG 3.24Å; C249-G251 WeakPolarHBondContact CB-O 3.4Å; C249-G251 PolarHBondContact SG-O 2.94Å; C249-Q256 CarbonylContact C-O 3.54Å; C249-Q256 WeakPolarHBondContact CA-O 3.25Å; C249-Q256 VanDerWaalsContact CB-O 3.26Å; C249-Q256 WeakPolarHBondContact CB-O 3.36Å |
| 250 | T | 85.7 | Confident | 84.4 | Confident | 81 Ų | 81 | 37.7 Ų | 37.7 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -97.9 | 3.5 | 171.7 | 55.8 | 0 | 0 | 0 | 0 | 113 | H233 Q256 L258 | H233-T250 PolarHBondContact NE2-O 3.14Å; T250-Q256 PolarHBondContact N-O 2.67Å; T250-Q256 PolarHBondContact OG1-O 2.83Å; T250-L258 HydrophobicContact CG2-CD2 4.25Å |
| 251 | G | 84.6 | Confident | 83.9 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 179.4 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C249 S253 Q256 | C249-G251 WeakPolarHBondContact CB-O 3.4Å; C249-G251 PolarHBondContact SG-O 2.94Å; G251-S253 VanDerWaalsContact C-N 3.3Å; G251-S253 PolarHBondContact O-N 3.13Å; G251-Q256 VanDerWaalsContact CA-OE1 3.3Å |
| 252 | P | 86 | Confident | 83.5 | Confident | 101 Ų | 101 | 43.2 Ų | 43.2 | 66% | 0.656 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -79 | -7.4 | -171.7 | 33.2 | -37.2 | 0 | 0 | 0 | 114.4 | ||
| 253 | S | 87.8 | Confident | 83.2 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -85.9 | 147.8 | -175.8 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | G251 N255 Q256 | G251-S253 VanDerWaalsContact C-N 3.3Å; G251-S253 PolarHBondContact O-N 3.13Å; S253-N255 VanDerWaalsContact CB-OD1 3.24Å; S253-N255 WeakPolarHBondContact CB-OD1 3.46Å; S253-N255 PolarHBondContact O-N 2.87Å; S253-N255 VanDerWaalsContact O-N 3.08Å; S253-N255 PolarHBondContact OG-OD1 3.43Å; S253-Q256 VanDerWaalsContact CB-OE1 3.28Å; S253-Q256 WeakPolarHBondContact O-CB 3.42Å; S253-Q256 PolarHBondContact O-N 2.67Å |
| 254 | P | 89.2 | Confident | 83.1 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.3 | 176.3 | 24.1 | -33.1 | 0 | 0 | 0 | 114.6 | D242 L268 C269 | D242-P254 HydrophobicContact CB-CB 4.21Å; D242-P254 WeakPolarHBondContact OD2-CD 3.39Å; P254-L268 HydrophobicContact CB-CD1 3.93Å; P254-L268 HydrophobicContact CG-CD1 3.82Å; P254-C269 WeakPolarHBondContact O-CB 3.26Å; P254-C269 PolarHBondContact O-N 2.95Å |
| 255 | N | 89.4 | Confident | 83 | Confident | 94 Ų | 94 | 41 Ų | 41 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 11.5 | 167.9 | 75.1 | -26.1 | 0 | 0 | 0 | 114.1 | S253 D267 L268 | S253-N255 VanDerWaalsContact CB-OD1 3.24Å; S253-N255 WeakPolarHBondContact CB-OD1 3.46Å; S253-N255 PolarHBondContact O-N 2.87Å; S253-N255 VanDerWaalsContact O-N 3.08Å; S253-N255 PolarHBondContact OG-OD1 3.43Å; N255-D267 WeakPolarHBondContact CA-O 3.3Å; N255-L268 HydrophobicContact CB-CD1 4.23Å |
| 256 | Q | 89 | Confident | 82.9 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -120 | 12.4 | 177.5 | -62.4 | 177.7 | -55.9 | 0 | 0 | 112.3 | C249 T250 G251 S253 | C249-Q256 CarbonylContact C-O 3.54Å; C249-Q256 WeakPolarHBondContact CA-O 3.25Å; C249-Q256 VanDerWaalsContact CB-O 3.26Å; C249-Q256 WeakPolarHBondContact CB-O 3.36Å; T250-Q256 PolarHBondContact N-O 2.67Å; T250-Q256 PolarHBondContact OG1-O 2.83Å; G251-Q256 VanDerWaalsContact CA-OE1 3.3Å; S253-Q256 VanDerWaalsContact CB-OE1 3.28Å; S253-Q256 WeakPolarHBondContact O-CB 3.42Å; S253-Q256 PolarHBondContact O-N 2.67Å |
| 257 | C | 85.2 | Confident | 83.4 | Confident | 24 Ų | 24 | 51 Ų | 51 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 140.3 | 173.8 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | C245 S259 C269 | C245-C257 WeakPolarHBondContact CA-SG 3.42Å; C245-C257 HydrophobicContact CB-CB 3.64Å; C245-C257 WeakPolarHBondContact CB-SG 3.31Å; C245-C257 WeakPolarHBondContact SG-CA 2.97Å; C245-C257 WeakPolarHBondContact SG-CB 3.01Å; C245-C257 CovalentContact SG-SG 2.03Å; C245-C257 PolarHBondContact SG-SG 3.37Å; C257-S259 VanDerWaalsContact C-N 3.27Å; C257-S259 WeakPolarHBondContact CB-O 3.39Å; C257-C269 VanDerWaalsContact CB-SG 3.5Å; C257-C269 VanDerWaalsContact SG-SG 3.6Å |
| 258 | L | 77.6 | Confident | 84.4 | Confident | 47 Ų | 47 | 51.2 Ų | 51.2 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -69.7 | -28.7 | 168.3 | -70.8 | -176 | 0 | 0 | 0 | 112.5 | V71 T96 I97 V234 G248 T250 | V71-L258 HydrophobicContact CG1-CD1 3.5Å; V71-L258 VanDerWaalsContact CG1-CD1 3.5Å; V71-L258 HydrophobicContact CG1-CD2 3.94Å; V71-L258 HydrophobicContact CG1-CG 4.29Å; T96-L258 HydrophobicContact CG2-CD1 4.1Å; I97-L258 HydrophobicContact CD1-CB 4.42Å; V234-L258 HydrophobicContact CG2-CD1 3.4Å; V234-L258 VanDerWaalsContact CG2-CD1 3.4Å; V234-L258 HydrophobicContact CG2-CD2 4.41Å; V234-L258 HydrophobicContact CG2-CG 3.99Å; G248-L258 PolarHBondContact O-N 2.03Å; T250-L258 HydrophobicContact CG2-CD2 4.25Å |
| 259 | S | 75 | Confident | 84.9 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -150.3 | 140.4 | 179.4 | 175.7 | 0 | 0 | 0 | 0 | 107.4 | R99 S246 C257 | R99-S259 PolarHBondContact NH2-OG 2.88Å; R99-S259 VanDerWaalsContact NH2-OG 3.17Å; S246-S259 PolarHBondContact N-O 3.37Å; C257-S259 VanDerWaalsContact C-N 3.27Å; C257-S259 WeakPolarHBondContact CB-O 3.39Å |
| 260 | C | 80.1 | Confident | 85.1 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 5% | 0.054 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 153.2 | 169.6 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | E244 S246 V263 K264 C269 | E244-C260 CarbonylContact O-C 3.59Å; E244-C260 WeakPolarHBondContact O-CA 3.21Å; S246-C260 VanDerWaalsContact CB-O 3.25Å; S246-C260 WeakPolarHBondContact CB-O 3.33Å; C260-V263 WeakPolarHBondContact CB-O 3.35Å; C260-K264 HydrophobicContact CB-CB 4.42Å; C260-K264 WeakPolarHBondContact SG-CB 3.24Å; C260-C269 WeakPolarHBondContact CA-SG 3.35Å; C260-C269 HydrophobicContact CB-CB 3.61Å; C260-C269 WeakPolarHBondContact CB-SG 3.29Å; C260-C269 WeakPolarHBondContact SG-CA 3.39Å; C260-C269 WeakPolarHBondContact SG-CB 3.4Å; C260-C269 CovalentContact SG-SG 2.03Å; C260-C269 PolarHBondContact SG-SG 3.26Å |
| 261 | K | 77.8 | Confident | 85.2 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -83.9 | -37.6 | 177 | -171.8 | 177.4 | 177.6 | 173.2 | 0 | 112 | G229 S243 E244 | G229-K261 PolarHBondContact O-NZ 2.87Å; S243-K261 WeakPolarHBondContact O-CD 3.49Å; S243-K261 PolarHBondContact O-NZ 3.17Å; E244-K261 WeakPolarHBondContact O-CB 3.36Å; E244-K261 PolarHBondContact O-N 2.86Å |
| 262 | H | 82.6 | Confident | 85.4 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -116.1 | -73.2 | 175.3 | -47.3 | 107.2 | 0 | 0 | 0 | 110.7 | E244 N271 | E244-H262 IonicContact OE1-CE1 3.62Å; E244-H262 IonicContact OE1-ND1 2.71Å; E244-H262 IonicContact OE2-CE1 3.72Å; E244-H262 IonicContact OE2-CG 3.8Å; E244-H262 IonicContact OE2-ND1 3.53Å; E244-H262 PolarHBondContact OE2-ND1 3.38Å; H262-N271 WeakPolarHBondContact CB-O 3.31Å |
| 263 | V | 85.5 | Confident | 85.6 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.6 | -175.5 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | C260 C269 L270 L279 L283 C285 | C260-V263 WeakPolarHBondContact CB-O 3.35Å; V263-C269 WeakPolarHBondContact O-CA 3.43Å; V263-L270 HydrophobicContact CG2-CB 3.95Å; V263-L270 VanDerWaalsContact CG2-O 3.26Å; V263-L270 WeakPolarHBondContact CG2-O 3.21Å; V263-L270 PolarHBondContact N-O 3.19Å; V263-L270 PolarHBondContact O-N 3.28Å; V263-L279 HydrophobicContact CB-CD1 4.44Å; V263-L279 HydrophobicContact CG1-CD1 3.5Å; V263-L279 VanDerWaalsContact CG1-CD1 3.5Å; V263-L279 HydrophobicContact CG1-CD2 4.39Å; V263-L283 CarbonylContact C-O 3.54Å; V263-C285 WeakPolarHBondContact CG2-SG 3.41Å |
| 264 | K | 85.9 | Confident | 85.7 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.2 | 174.2 | -173.8 | 162.7 | 170.9 | 160.9 | 0 | 110.3 | Y23 C260 N266 D267 L283 Y284 C285 | Y23-K264 PolarHBondContact OH-NZ 3.27Å; C260-K264 HydrophobicContact CB-CB 4.42Å; C260-K264 WeakPolarHBondContact SG-CB 3.24Å; K264-N266 WeakPolarHBondContact CE-O 3.46Å; K264-N266 WeakPolarHBondContact CG-O 3.47Å; K264-D267 VanDerWaalsContact CE-OD1 3.27Å; K264-D267 WeakPolarHBondContact CE-OD1 3.24Å; K264-D267 IonicContact NZ-OD1 3.74Å; K264-D267 PolarHBondContact NZ-OD1 2.85Å; K264-L283 PolarHBondContact N-O 3.08Å; K264-Y284 HydrophobicContact CB-CD1 4.07Å; K264-Y284 HydrophobicContact CB-CE1 4.37Å; K264-Y284 HydrophobicContact CD-CE1 4.39Å; K264-Y284 WeakPolarHBondContact O-CA 3.34Å; K264-C285 PolarHBondContact O-N 2.62Å |
| 265 | L | 89 | Confident | 85.5 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 115.5 | 170 | 176.2 | 59.8 | 0 | 0 | 0 | 108.8 | D267 L268 L270 P274 C285 | L265-D267 PolarHBondContact O-N 2.9Å; L265-D267 VanDerWaalsContact O-N 3.08Å; L265-L268 PolarHBondContact N-O 2.81Å; L265-L268 PolarHBondContact O-N 2.83Å; L265-L270 HydrophobicContact CB-CD1 4.01Å; L265-L270 HydrophobicContact CD2-CD1 4Å; L265-P274 HydrophobicContact CD2-CG 3.83Å; L265-C285 HydrophobicContact CB-CB 4.05Å; L265-C285 HydrophobicContact CD1-CB 3.94Å; L265-C285 HydrophobicContact CG-CB 4.45Å |
| 266 | N | 84.1 | Confident | 85.4 | Confident | 142 Ų | 142 | 60.4 Ų | 60.4 | 76% | 0.759 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -111.7 | -164.5 | -58.6 | -32.2 | 0 | 0 | 0 | 109.7 | K264 | K264-N266 WeakPolarHBondContact CE-O 3.46Å; K264-N266 WeakPolarHBondContact CG-O 3.47Å |
| 267 | D | 81.5 | Confident | 85.6 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 9.4 | 172.7 | -71.1 | -61 | 0 | 0 | 0 | 114.9 | N255 K264 L265 | N255-D267 WeakPolarHBondContact CA-O 3.3Å; K264-D267 VanDerWaalsContact CE-OD1 3.27Å; K264-D267 WeakPolarHBondContact CE-OD1 3.24Å; K264-D267 IonicContact NZ-OD1 3.74Å; K264-D267 PolarHBondContact NZ-OD1 2.85Å; L265-D267 PolarHBondContact O-N 2.9Å; L265-D267 VanDerWaalsContact O-N 3.08Å |
| 268 | L | 90.6 | Very high | 85.8 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 37% | 0.372 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 126.7 | 176.4 | -175.8 | 62.9 | 0 | 0 | 0 | 110.7 | P254 N255 L265 L270 | P254-L268 HydrophobicContact CB-CD1 3.93Å; P254-L268 HydrophobicContact CG-CD1 3.82Å; N255-L268 HydrophobicContact CB-CD1 4.23Å; L265-L268 PolarHBondContact N-O 2.81Å; L265-L268 PolarHBondContact O-N 2.83Å; L268-L270 HydrophobicContact CD2-CD2 3.78Å; L268-L270 HydrophobicContact CD2-CG 4.22Å; L268-L270 HydrophobicContact CG-CD2 3.98Å; L268-L270 HydrophobicContact CG-CG 4.14Å |
| 269 | C | 89.4 | Confident | 86.2 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 135.3 | 166.6 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | E244 P254 C257 C260 V263 | E244-C269 HydrophobicContact CB-CB 3.97Å; P254-C269 WeakPolarHBondContact O-CB 3.26Å; P254-C269 PolarHBondContact O-N 2.95Å; C257-C269 VanDerWaalsContact CB-SG 3.5Å; C257-C269 VanDerWaalsContact SG-SG 3.6Å; C260-C269 WeakPolarHBondContact CA-SG 3.35Å; C260-C269 HydrophobicContact CB-CB 3.61Å; C260-C269 WeakPolarHBondContact CB-SG 3.29Å; C260-C269 WeakPolarHBondContact SG-CA 3.39Å; C260-C269 WeakPolarHBondContact SG-CB 3.4Å; C260-C269 CovalentContact SG-SG 2.03Å; C260-C269 PolarHBondContact SG-SG 3.26Å; V263-C269 WeakPolarHBondContact O-CA 3.43Å |
| 270 | L | 90.9 | Very high | 86.6 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 24% | 0.236 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 157.3 | -178.8 | -65.3 | 173.4 | 0 | 0 | 0 | 110.2 | E244 V263 L265 L268 P274 | E244-L270 VanDerWaalsContact OE2-C 3.32Å; V263-L270 HydrophobicContact CG2-CB 3.95Å; V263-L270 VanDerWaalsContact CG2-O 3.26Å; V263-L270 WeakPolarHBondContact CG2-O 3.21Å; V263-L270 PolarHBondContact N-O 3.19Å; V263-L270 PolarHBondContact O-N 3.28Å; L265-L270 HydrophobicContact CB-CD1 4.01Å; L265-L270 HydrophobicContact CD2-CD1 4Å; L268-L270 HydrophobicContact CD2-CD2 3.78Å; L268-L270 HydrophobicContact CD2-CG 4.22Å; L268-L270 HydrophobicContact CG-CD2 3.98Å; L268-L270 HydrophobicContact CG-CG 4.14Å; L270-P274 HydrophobicContact CD1-CG 4.4Å |
| 271 | N | 88.3 | Confident | 86.1 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -67.3 | -41.1 | 175.3 | -169.9 | -91.5 | 0 | 0 | 0 | 112.5 | E244 H262 | E244-N271 VanDerWaalsContact OE1-CB 3.29Å; E244-N271 WeakPolarHBondContact OE1-CB 3.14Å; E244-N271 PolarHBondContact OE1-ND2 3.31Å; E244-N271 VanDerWaalsContact OE2-CA 3.28Å; E244-N271 WeakPolarHBondContact OE2-CA 3.08Å; E244-N271 PolarHBondContact OE2-N 2.96Å; H262-N271 WeakPolarHBondContact CB-O 3.31Å |
| 272 | H | 89 | Confident | 85.7 | Confident | 128 Ų | 128 | 63.2 Ų | 63.2 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -149.1 | 159 | -178.9 | 50.6 | -94.1 | 0 | 0 | 0 | 109.3 | ||
| 273 | C | 90 | Very high | 85.4 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | trans | -69.5 | 143 | 174.1 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | H277 C285 | C273-H277 HydrophobicContact CB-CB 4.13Å; C273-C285 WeakPolarHBondContact CA-SG 3.4Å; C273-C285 HydrophobicContact CB-CB 3.81Å; C273-C285 WeakPolarHBondContact CB-SG 3.45Å; C273-C285 WeakPolarHBondContact SG-CA 3.47Å; C273-C285 WeakPolarHBondContact SG-CB 3.12Å; C273-C285 CovalentContact SG-SG 2.04Å; C273-C285 PolarHBondContact SG-SG 2.92Å | ||
| 274 | P | 90.3 | Very high | 85.3 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | trans | -54.4 | 150.2 | 168.3 | -23.8 | 33.9 | 0 | 0 | 0 | 110.7 | L265 L270 S276 H277 | L265-P274 HydrophobicContact CD2-CG 3.83Å; L270-P274 HydrophobicContact CD1-CG 4.4Å; P274-S276 PolarHBondContact O-N 2.95Å; P274-H277 PolarHBondContact O-N 2.78Å | ||
| 275 | S | 85.3 | Confident | 85.5 | Confident | 135 Ų | 135 | 61.5 Ų | 61.5 | 94% | 0.944 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -7.5 | -176.4 | 47.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 276 | S | 87.2 | Confident | 85.5 | Confident | 79 Ų | 79 | 61 Ų | 61 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -4.1 | 170.1 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | P274 | P274-S276 PolarHBondContact O-N 2.95Š|
| 277 | H | 91.9 | Very high | 85.8 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 152.4 | -173.1 | -68.6 | 65.4 | 0 | 0 | 0 | 111.8 | C273 P274 C285 I286 | C273-H277 HydrophobicContact CB-CB 4.13Å; P274-H277 PolarHBondContact O-N 2.78Å; H277-C285 HydrophobicContact CB-CB 4.17Å; H277-I286 CarbonylContact C-O 3.07Å; H277-I286 VanDerWaalsContact CA-O 3.27Å; H277-I286 WeakPolarHBondContact CA-O 3.13Å; H277-I286 WeakPolarHBondContact CB-O 3.41Å |
| 278 | Y | 89.7 | Confident | 86.1 | Confident | 37 Ų | 37 | 56 Ų | 56 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141.1 | 178.2 | -66.4 | -99.3 | 0 | 0 | 0 | 110.5 | L280 I286 R288 T311 S314 | Y278-L280 PolarHBondContact O-N 3.24Å; Y278-I286 PolarHBondContact N-O 3.08Å; Y278-I286 PolarHBondContact O-N 3.25Å; Y278-R288 HydrophobicContact CD2-CB 4.14Å; Y278-R288 HydrophobicContact CD2-CG 4.41Å; Y278-R288 HydrophobicContact CE2-CB 3.63Å; Y278-R288 HydrophobicContact CE2-CG 3.64Å; Y278-T311 HydrophobicContact CD1-CG2 3.62Å; Y278-T311 HydrophobicContact CD2-CG2 4.24Å; Y278-T311 VanDerWaalsContact CE1-CB 3.44Å; Y278-T311 HydrophobicContact CE1-CG2 3.49Å; Y278-T311 VanDerWaalsContact CE1-CG2 3.49Å; Y278-T311 HydrophobicContact CE2-CG2 4.12Å; Y278-T311 HydrophobicContact CG-CG2 4.01Å; Y278-S314 CarbonylContact C-O 3.21Å; Y278-S314 WeakPolarHBondContact CA-O 3Å |
| 279 | L | 86.5 | Confident | 86 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 112.6 | -179.8 | 176.6 | 53.9 | 0 | 0 | 0 | 111.6 | V263 S314 T315 C316 | V263-L279 HydrophobicContact CB-CD1 4.44Å; V263-L279 HydrophobicContact CG1-CD1 3.5Å; V263-L279 VanDerWaalsContact CG1-CD1 3.5Å; V263-L279 HydrophobicContact CG1-CD2 4.39Å; L279-S314 PolarHBondContact N-O 2.74Å; L279-T315 HydrophobicContact CB-CG2 4.31Å; L279-T315 CarbonylContact O-C 3.49Å; L279-T315 WeakPolarHBondContact O-CA 3.49Å; L279-C316 PolarHBondContact O-N 2.82Å |
| 280 | L | 83.1 | Confident | 86 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.6 | 173.6 | 177.2 | 71.6 | 0 | 0 | 0 | 110.9 | Y278 N282 L283 Y284 I286 R294 F309 C316 | Y278-L280 PolarHBondContact O-N 3.24Å; L280-N282 PolarHBondContact O-N 3.36Å; L280-L283 PolarHBondContact O-N 2.64Å; L280-Y284 PolarHBondContact N-O 3.36Å; L280-Y284 PolarHBondContact O-N 3.28Å; L280-I286 HydrophobicContact CB-CD1 3.98Å; L280-I286 HydrophobicContact CB-CG1 4.16Å; L280-I286 HydrophobicContact CB-CG2 4.42Å; L280-I286 HydrophobicContact CD2-CD1 4.17Å; L280-I286 HydrophobicContact CD2-CG2 4.29Å; L280-I286 HydrophobicContact CG-CD1 4.44Å; L280-R294 VanDerWaalsContact CD2-CZ 3.47Å; L280-F309 HydrophobicContact CD1-CD1 4.17Å; L280-F309 HydrophobicContact CD1-CE1 3.73Å; L280-C316 HydrophobicContact CB-CB 4.45Å; L280-C316 HydrophobicContact CD1-CB 4.39Å |
| 281 | N | 69.6 | Low | 85.9 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 26.4 | 174.8 | -68.9 | 9.5 | 0 | 0 | 0 | 114.7 | I103 L283 | I103-N281 PolarHBondContact O-ND2 2.85Å; N281-L283 PolarHBondContact O-N 3.17Å |
| 282 | N | 70.5 | Confident | 85.9 | Confident | 124 Ų | 124 | 59.8 Ų | 59.8 | 66% | 0.663 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 31.2 | -171.7 | -66.2 | 3.7 | 0 | 0 | 0 | 114.3 | L280 | L280-N282 PolarHBondContact O-N 3.36Š|
| 283 | L | 74.7 | Confident | 85.7 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -150.9 | -20.4 | -176 | -152.3 | 127.8 | 0 | 0 | 0 | 115.9 | V263 K264 L280 N281 | V263-L283 CarbonylContact C-O 3.54Å; K264-L283 PolarHBondContact N-O 3.08Å; L280-L283 PolarHBondContact O-N 2.64Å; N281-L283 PolarHBondContact O-N 3.17Å |
| 284 | Y | 83.3 | Confident | 85.3 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.2 | -177.8 | -58.4 | -79.3 | 0 | 0 | 0 | 111.5 | K264 L280 | K264-Y284 HydrophobicContact CB-CD1 4.07Å; K264-Y284 HydrophobicContact CB-CE1 4.37Å; K264-Y284 HydrophobicContact CD-CE1 4.39Å; K264-Y284 WeakPolarHBondContact O-CA 3.34Å; L280-Y284 PolarHBondContact N-O 3.36Å; L280-Y284 PolarHBondContact O-N 3.28Å |
| 285 | C | 89.9 | Confident | 84.7 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125 | 170.2 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | V263 K264 L265 C273 H277 | V263-C285 WeakPolarHBondContact CG2-SG 3.41Å; K264-C285 PolarHBondContact O-N 2.62Å; L265-C285 HydrophobicContact CB-CB 4.05Å; L265-C285 HydrophobicContact CD1-CB 3.94Å; L265-C285 HydrophobicContact CG-CB 4.45Å; C273-C285 WeakPolarHBondContact CA-SG 3.4Å; C273-C285 HydrophobicContact CB-CB 3.81Å; C273-C285 WeakPolarHBondContact CB-SG 3.45Å; C273-C285 WeakPolarHBondContact SG-CA 3.47Å; C273-C285 WeakPolarHBondContact SG-CB 3.12Å; C273-C285 CovalentContact SG-SG 2.04Å; C273-C285 PolarHBondContact SG-SG 2.92Å; H277-C285 HydrophobicContact CB-CB 4.17Å |
| 286 | I | 89.4 | Confident | 83.8 | Confident | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 158.8 | 177.8 | 63.9 | 170.1 | 0 | 0 | 0 | 110.6 | H277 Y278 L280 E290 C291 C316 | H277-I286 CarbonylContact C-O 3.07Å; H277-I286 VanDerWaalsContact CA-O 3.27Å; H277-I286 WeakPolarHBondContact CA-O 3.13Å; H277-I286 WeakPolarHBondContact CB-O 3.41Å; Y278-I286 PolarHBondContact N-O 3.08Å; Y278-I286 PolarHBondContact O-N 3.25Å; L280-I286 HydrophobicContact CB-CD1 3.98Å; L280-I286 HydrophobicContact CB-CG1 4.16Å; L280-I286 HydrophobicContact CB-CG2 4.42Å; L280-I286 HydrophobicContact CD2-CD1 4.17Å; L280-I286 HydrophobicContact CD2-CG2 4.29Å; L280-I286 HydrophobicContact CG-CD1 4.44Å; I286-E290 HydrophobicContact CB-CB 4.12Å; I286-E290 HydrophobicContact CD1-CB 4.35Å; I286-C291 HydrophobicContact CD1-CB 3.82Å; I286-C291 HydrophobicContact CG1-CB 4.38Å; I286-C316 HydrophobicContact CD1-CB 4.12Å |
| 287 | T | 91 | Very high | 82.3 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 164.5 | 175.7 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | E289 E290 C291 | T287-E289 PolarHBondContact O-N 3.18Å; T287-E290 WeakPolarHBondContact CB-OE2 3.32Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.27Å; T287-E290 PolarHBondContact N-OE2 2.83Å; T287-E290 PolarHBondContact O-N 2.86Å; T287-E290 WeakPolarHBondContact OG1-CB 3.36Å; T287-E290 VanDerWaalsContact OG1-CG 3.24Å; T287-E290 WeakPolarHBondContact OG1-CG 3.34Å; T287-E290 PolarHBondContact OG1-N 2.7Å; T287-E290 PolarHBondContact OG1-OE2 3.39Å; T287-C291 PolarHBondContact O-N 2.92Å |
| 288 | R | 88.4 | Confident | 80.5 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.4 | -37.9 | 175.1 | -163 | 175.4 | -176.1 | -79.3 | -6.3 | 112.2 | Y278 C291 I292 T311 S329 E331 | Y278-R288 HydrophobicContact CD2-CB 4.14Å; Y278-R288 HydrophobicContact CD2-CG 4.41Å; Y278-R288 HydrophobicContact CE2-CB 3.63Å; Y278-R288 HydrophobicContact CE2-CG 3.64Å; R288-C291 WeakPolarHBondContact O-CB 3.41Å; R288-C291 PolarHBondContact O-N 3.2Å; R288-I292 HydrophobicContact CG-CD1 3.9Å; R288-I292 WeakPolarHBondContact O-CG1 3.38Å; R288-I292 PolarHBondContact O-N 3.03Å; R288-T311 HydrophobicContact CG-CG2 4.36Å; R288-S329 PolarHBondContact NH2-O 2.79Å; R288-E331 IonicContact NH2-OE2 3.18Å; R288-E331 PolarHBondContact NH2-OE2 2.79Å |
| 289 | E | 88 | Confident | 78.1 | Confident | 144 Ų | 144 | 58.9 Ų | 58.9 | 67% | 0.673 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -79 | -39.2 | -175.4 | -68.2 | 166.5 | 124.1 | 0 | 0 | 111.7 | T287 C291 I292 N293 | T287-E289 PolarHBondContact O-N 3.18Å; E289-C291 PolarHBondContact O-N 2.03Å; E289-I292 PolarHBondContact O-N 2.98Å; E289-N293 VanDerWaalsContact O-CB 3.23Å; E289-N293 WeakPolarHBondContact O-CB 3.24Å; E289-N293 VanDerWaalsContact O-CG 3.29Å; E289-N293 PolarHBondContact O-N 2.93Å; E289-N293 PolarHBondContact O-ND2 2.64Å |
| 290 | E | 88.6 | Confident | 75.8 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -33.4 | 168.7 | -72.7 | 168.1 | 119.4 | 0 | 0 | 112.4 | I286 T287 R294 | I286-E290 HydrophobicContact CB-CB 4.12Å; I286-E290 HydrophobicContact CD1-CB 4.35Å; T287-E290 WeakPolarHBondContact CB-OE2 3.32Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.27Å; T287-E290 PolarHBondContact N-OE2 2.83Å; T287-E290 PolarHBondContact O-N 2.86Å; T287-E290 WeakPolarHBondContact OG1-CB 3.36Å; T287-E290 VanDerWaalsContact OG1-CG 3.24Å; T287-E290 WeakPolarHBondContact OG1-CG 3.34Å; T287-E290 PolarHBondContact OG1-N 2.7Å; T287-E290 PolarHBondContact OG1-OE2 3.39Å; E290-R294 WeakPolarHBondContact O-CB 3.46Å; E290-R294 PolarHBondContact O-N 3.47Å |
| 291 | C | 89.4 | Confident | 73.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.4 | -54.6 | 174.2 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | I286 T287 R288 E289 N293 R294 F309 T311 C316 | I286-C291 HydrophobicContact CD1-CB 3.82Å; I286-C291 HydrophobicContact CG1-CB 4.38Å; T287-C291 PolarHBondContact O-N 2.92Å; R288-C291 WeakPolarHBondContact O-CB 3.41Å; R288-C291 PolarHBondContact O-N 3.2Å; E289-C291 PolarHBondContact O-N 2.03Å; C291-N293 VanDerWaalsContact C-N 3.33Å; C291-N293 PolarHBondContact O-N 2.82Å; C291-R294 WeakPolarHBondContact O-CB 3.04Å; C291-R294 PolarHBondContact O-N 2.93Å; C291-R294 VanDerWaalsContact O-N 3.11Å; C291-F309 VanDerWaalsContact O-CB 3.25Å; C291-F309 WeakPolarHBondContact O-CB 3.42Å; C291-T311 HydrophobicContact CB-CG2 4.36Å; C291-C316 WeakPolarHBondContact CA-SG 3.36Å; C291-C316 HydrophobicContact CB-CB 3.88Å; C291-C316 WeakPolarHBondContact CB-SG 3.43Å; C291-C316 VanDerWaalsContact SG-CA 3.59Å; C291-C316 WeakPolarHBondContact SG-CB 3.16Å; C291-C316 CovalentContact SG-SG 2.03Å; C291-C316 PolarHBondContact SG-SG 3.09Å |
| 292 | I | 87.8 | Confident | 71.8 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.195 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.9 | -31 | -172 | -68.4 | 169.8 | 0 | 0 | 0 | 112.2 | R288 E289 R294 T311 S329 | R288-I292 HydrophobicContact CG-CD1 3.9Å; R288-I292 WeakPolarHBondContact O-CG1 3.38Å; R288-I292 PolarHBondContact O-N 3.03Å; E289-I292 PolarHBondContact O-N 2.98Å; I292-R294 VanDerWaalsContact C-N 3.29Å; I292-T311 HydrophobicContact CG1-CG2 4.37Å; I292-S329 WeakPolarHBondContact CD1-O 3.4Å |
| 293 | N | 84.7 | Confident | 70.3 | Confident | 128 Ų | 128 | 59.5 Ų | 59.5 | 68% | 0.684 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.1 | 174.7 | -63.5 | -37.4 | 0 | 0 | 0 | 113.2 | E289 C291 Q295 | E289-N293 VanDerWaalsContact O-CB 3.23Å; E289-N293 WeakPolarHBondContact O-CB 3.24Å; E289-N293 VanDerWaalsContact O-CG 3.29Å; E289-N293 PolarHBondContact O-N 2.93Å; E289-N293 PolarHBondContact O-ND2 2.64Å; C291-N293 VanDerWaalsContact C-N 3.33Å; C291-N293 PolarHBondContact O-N 2.82Å; N293-Q295 PolarHBondContact O-N 3.16Å |
| 294 | R | 82.9 | Confident | 68.7 | Low | 108 Ų | 108 | 66.3 Ų | 66.3 | 41% | 0.408 | 33% | 0.332 | S | S | . | . | trans | -74.4 | 126.3 | 176.8 | -121 | 175.2 | -176.5 | -105.1 | 1.3 | 110.8 | L280 E290 C291 I292 F309 | L280-R294 VanDerWaalsContact CD2-CZ 3.47Å; E290-R294 WeakPolarHBondContact O-CB 3.46Å; E290-R294 PolarHBondContact O-N 3.47Å; C291-R294 WeakPolarHBondContact O-CB 3.04Å; C291-R294 PolarHBondContact O-N 2.93Å; C291-R294 VanDerWaalsContact O-N 3.11Å; I292-R294 VanDerWaalsContact C-N 3.29Å; R294-F309 HydrophobicContact CB-CB 4.09Å; R294-F309 HydrophobicContact CB-CD2 3.98Å; R294-F309 HydrophobicContact CB-CG 4.04Å; R294-F309 WeakPolarHBondContact O-CD2 3.41Å; R294-F309 PolarHBondContact O-N 3.28Å | ||
| 295 | Q | 76.1 | Confident | 67.3 | Low | 117 Ų | 117 | 68.2 Ų | 68.2 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.9 | 173.6 | -63.1 | -171.3 | -45.8 | 0 | 0 | 109.2 | N293 L306 A307 N308 | N293-Q295 PolarHBondContact O-N 3.16Å; Q295-L306 HydrophobicContact CB-CD1 4.41Å; Q295-L306 HydrophobicContact CB-CD2 4.22Å; Q295-L306 HydrophobicContact CB-CG 4.11Å; Q295-L306 HydrophobicContact CG-CD2 4.36Å; Q295-A307 WeakPolarHBondContact CA-O 3.27Å; Q295-N308 PolarHBondContact NE2-OD1 3.26Å |
| 296 | E | 66.6 | Low | 65.9 | Low | 28 Ų | 28 | 72.3 Ų | 72.3 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.3 | 170.5 | -166.8 | 176.4 | -169.1 | 0 | 0 | 111.1 | T104 S105 T106 V298 A307 F309 | T104-E296 VanDerWaalsContact C-OE1 3.3Å; T104-E296 WeakPolarHBondContact CA-OE1 3.42Å; T104-E296 WeakPolarHBondContact CB-OE1 3.35Å; S105-E296 WeakPolarHBondContact CB-OE2 3.04Å; S105-E296 VanDerWaalsContact N-CD 3.25Å; S105-E296 PolarHBondContact N-OE1 2.82Å; S105-E296 PolarHBondContact N-OE2 2.95Å; S105-E296 WeakPolarHBondContact OG-CG 3.04Å; S105-E296 PolarHBondContact OG-OE2 3.05Å; T106-E296 HydrophobicContact CG2-CG 4.39Å; E296-V298 VanDerWaalsContact C-N 3.33Å; E296-V298 PolarHBondContact O-N 2.8Å; E296-A307 PolarHBondContact N-O 2.62Å; E296-A307 PolarHBondContact O-N 3.15Å; E296-F309 HydrophobicContact CB-CE2 3.74Å; E296-F309 HydrophobicContact CB-CZ 4.41Å |
| 297 | I | 56.5 | Low | 64.6 | Low | 76 Ų | 76 | 71.8 Ų | 71.8 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 82.5 | 176.4 | -55 | 175.4 | 0 | 0 | 0 | 108.8 | T106 G299 K304 Y305 L306 | T106-I297 HydrophobicContact CG2-CB 4.45Å; T106-I297 VanDerWaalsContact CG2-O 3.32Å; T106-I297 WeakPolarHBondContact CG2-O 3.25Å; I297-G299 PolarHBondContact O-N 2.84Å; I297-K304 HydrophobicContact CG2-CB 3.52Å; I297-K304 HydrophobicContact CG2-CD 3.77Å; I297-K304 HydrophobicContact CG2-CG 3.66Å; I297-Y305 CarbonylContact C-O 3.57Å; I297-Y305 WeakPolarHBondContact CA-O 3.46Å; I297-L306 HydrophobicContact CG1-CD1 3.8Å |
| 298 | V | 53.4 | Low | 64 | Low | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.055 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 123.1 | 171.6 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | S105 N109 E296 Y305 A307 | S105-V298 WeakPolarHBondContact OG-CG2 3.34Å; N109-V298 WeakPolarHBondContact ND2-CG1 3.14Å; E296-V298 VanDerWaalsContact C-N 3.33Å; E296-V298 PolarHBondContact O-N 2.8Å; V298-Y305 HydrophobicContact CB-CD1 4.29Å; V298-Y305 HydrophobicContact CB-CE1 3.75Å; V298-Y305 HydrophobicContact CB-CE2 4.1Å; V298-Y305 HydrophobicContact CG1-CE1 3.67Å; V298-Y305 HydrophobicContact CG1-CE2 4.47Å; V298-Y305 WeakPolarHBondContact CG1-OH 3.25Å; V298-Y305 PolarHBondContact N-O 3.03Å; V298-Y305 WeakPolarHBondContact O-CD1 3.48Å; V298-Y305 PolarHBondContact O-N 3.38Å; V298-Y305 VanDerWaalsContact O-O 3.09Å; V298-A307 HydrophobicContact CB-CB 4.34Å; V298-A307 HydrophobicContact CG2-CB 3.34Å |
| 299 | G | 39.1 | Very low | 63.9 | Low | 5 Ų | 5 | 68.8 Ų | 68.8 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | trans | -67.6 | 160.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N109 I297 | N109-G299 WeakPolarHBondContact CB-O 3.45Å; N109-G299 PolarHBondContact ND2-O 2.9Å; N109-G299 PolarHBondContact OD1-O 3.12Å; I297-G299 PolarHBondContact O-N 2.84Å | ||
| 300 | S | 39.3 | Very low | 63.9 | Low | 50 Ų | 50 | 62 Ų | 62 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | trans | -148.4 | 158.8 | 165.3 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | N302 G303 | S300-N302 PolarHBondContact O-N 2.68Å; S300-N302 VanDerWaalsContact O-N 3.11Å; S300-G303 WeakPolarHBondContact CA-O 3.45Å; S300-G303 WeakPolarHBondContact CB-O 3.49Å; S300-G303 PolarHBondContact N-O 2.98Å; S300-G303 PolarHBondContact O-N 3.14Å | ||
| 301 | V | 34.9 | Very low | 63.9 | Low | 62 Ų | 62 | 57 Ų | 57 | 38% | 0.376 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31.1 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | D347 | V301-D347 HydrophobicContact CG1-CB 4.49Å; V301-D347 VanDerWaalsContact CG1-OD2 3.25Å; V301-D347 WeakPolarHBondContact CG1-OD2 3.43Å; V301-D347 HydrophobicContact CG2-CB 3.96Å |
| 302 | N | 33.7 | Very low | 63.8 | Low | 94 Ų | 94 | 58.7 Ų | 58.7 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 8.6 | -179.6 | -63.6 | -19.2 | 0 | 0 | 0 | 113.9 | S300 | S300-N302 PolarHBondContact O-N 2.68Å; S300-N302 VanDerWaalsContact O-N 3.11Å |
| 303 | G | 38.6 | Very low | 63.6 | Low | 38 Ų | 38 | 62.8 Ų | 62.8 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | trans | 127.4 | 176.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S300 | S300-G303 WeakPolarHBondContact CA-O 3.45Å; S300-G303 WeakPolarHBondContact CB-O 3.49Å; S300-G303 PolarHBondContact N-O 2.98Å; S300-G303 PolarHBondContact O-N 3.14Å | ||
| 304 | K | 41.4 | Very low | 63.7 | Low | 158 Ų | 158 | 60.5 Ų | 60.5 | 69% | 0.687 | 32% | 0.317 | S | S | * | . | trans | -84.2 | 126.6 | 178.2 | -82.8 | 175.7 | 166.7 | -171.7 | 0 | 110.2 | I297 | I297-K304 HydrophobicContact CG2-CB 3.52Å; I297-K304 HydrophobicContact CG2-CD 3.77Å; I297-K304 HydrophobicContact CG2-CG 3.66Å | ||
| 305 | Y | 53.5 | Low | 63.9 | Low | 109 Ų | 109 | 56.9 Ų | 56.9 | 43% | 0.427 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 157.1 | 174.2 | 71.9 | -79.4 | 0 | 0 | 0 | 111 | I297 V298 A307 | I297-Y305 CarbonylContact C-O 3.57Å; I297-Y305 WeakPolarHBondContact CA-O 3.46Å; V298-Y305 HydrophobicContact CB-CD1 4.29Å; V298-Y305 HydrophobicContact CB-CE1 3.75Å; V298-Y305 HydrophobicContact CB-CE2 4.1Å; V298-Y305 HydrophobicContact CG1-CE1 3.67Å; V298-Y305 HydrophobicContact CG1-CE2 4.47Å; V298-Y305 WeakPolarHBondContact CG1-OH 3.25Å; V298-Y305 PolarHBondContact N-O 3.03Å; V298-Y305 WeakPolarHBondContact O-CD1 3.48Å; V298-Y305 PolarHBondContact O-N 3.38Å; V298-Y305 VanDerWaalsContact O-O 3.09Å; Y305-A307 HydrophobicContact CE2-CB 4.34Å |
| 306 | L | 60.1 | Low | 64.5 | Low | 94 Ų | 94 | 51.5 Ų | 51.5 | 49% | 0.492 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.1 | 179.6 | -148.6 | 70.6 | 0 | 0 | 0 | 108.7 | Q295 I297 | Q295-L306 HydrophobicContact CB-CD1 4.41Å; Q295-L306 HydrophobicContact CB-CD2 4.22Å; Q295-L306 HydrophobicContact CB-CG 4.11Å; Q295-L306 HydrophobicContact CG-CD2 4.36Å; I297-L306 HydrophobicContact CG1-CD1 3.8Å |
| 307 | A | 63.3 | Low | 65.2 | Low | 7 Ų | 7 | 52 Ų | 52 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | Q295 E296 V298 Y305 | Q295-A307 WeakPolarHBondContact CA-O 3.27Å; E296-A307 PolarHBondContact N-O 2.62Å; E296-A307 PolarHBondContact O-N 3.15Å; V298-A307 HydrophobicContact CB-CB 4.34Å; V298-A307 HydrophobicContact CG2-CB 3.34Å; Y305-A307 HydrophobicContact CE2-CB 4.34Å |
| 308 | N | 78.8 | Confident | 66.1 | Low | 71 Ų | 71 | 50.3 Ų | 50.3 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.3 | 169.6 | -61.4 | -29.8 | 0 | 0 | 0 | 108 | Q295 S310 R326 | Q295-N308 PolarHBondContact NE2-OD1 3.26Å; N308-S310 PolarHBondContact O-OG 3.03Å; N308-R326 PolarHBondContact O-NE 2.9Å |
| 309 | F | 85.7 | Confident | 67.1 | Low | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 157.4 | 179.2 | -83.6 | -115.7 | 0 | 0 | 0 | 111.5 | L280 C291 R294 E296 I317 P318 R326 | L280-F309 HydrophobicContact CD1-CD1 4.17Å; L280-F309 HydrophobicContact CD1-CE1 3.73Å; C291-F309 VanDerWaalsContact O-CB 3.25Å; C291-F309 WeakPolarHBondContact O-CB 3.42Å; R294-F309 HydrophobicContact CB-CB 4.09Å; R294-F309 HydrophobicContact CB-CD2 3.98Å; R294-F309 HydrophobicContact CB-CG 4.04Å; R294-F309 WeakPolarHBondContact O-CD2 3.41Å; R294-F309 PolarHBondContact O-N 3.28Å; E296-F309 HydrophobicContact CB-CE2 3.74Å; E296-F309 HydrophobicContact CB-CZ 4.41Å; F309-I317 WeakPolarHBondContact CA-O 3.45Å; F309-P318 HydrophobicContact CD1-CB 4.46Å; F309-P318 HydrophobicContact CD2-CB 4.42Å; F309-P318 HydrophobicContact CE1-CB 4.12Å; F309-P318 HydrophobicContact CE2-CB 4.06Å; F309-P318 HydrophobicContact CZ-CB 3.92Å; F309-R326 PolarHBondContact O-NE 2.99Å; F309-R326 PolarHBondContact O-NH2 3.08Å |
| 310 | S | 87.5 | Confident | 68.9 | Low | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143.7 | -170.4 | -47.1 | 0 | 0 | 0 | 0 | 110.7 | N308 I317 R326 G330 C332 | N308-S310 PolarHBondContact O-OG 3.03Å; S310-I317 PolarHBondContact N-O 2.99Å; S310-I317 PolarHBondContact O-N 3.27Å; S310-R326 WeakPolarHBondContact OG-CD 3.5Å; S310-R326 WeakPolarHBondContact OG-CG 3.45Å; S310-R326 PolarHBondContact OG-NE 2.99Å; S310-R326 VanDerWaalsContact OG-NE 3.1Å; S310-G330 CarbonylContact C-O 3.56Å; S310-G330 WeakPolarHBondContact CA-O 3.25Å; S310-C332 VanDerWaalsContact CB-SG 3.57Å |
| 311 | T | 89.8 | Confident | 70.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.4 | 175.2 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | Y278 R288 C291 I292 G330 E331 C332 | Y278-T311 HydrophobicContact CD1-CG2 3.62Å; Y278-T311 HydrophobicContact CD2-CG2 4.24Å; Y278-T311 VanDerWaalsContact CE1-CB 3.44Å; Y278-T311 HydrophobicContact CE1-CG2 3.49Å; Y278-T311 VanDerWaalsContact CE1-CG2 3.49Å; Y278-T311 HydrophobicContact CE2-CG2 4.12Å; Y278-T311 HydrophobicContact CG-CG2 4.01Å; R288-T311 HydrophobicContact CG-CG2 4.36Å; C291-T311 HydrophobicContact CB-CG2 4.36Å; I292-T311 HydrophobicContact CG1-CG2 4.37Å; T311-G330 PolarHBondContact N-O 2.91Å; T311-G330 PolarHBondContact OG1-O 3.07Å; T311-E331 WeakPolarHBondContact OG1-CA 3.3Å; T311-E331 WeakPolarHBondContact OG1-CG 3.39Å; T311-E331 PolarHBondContact OG1-OE1 2.89Å; T311-C332 PolarHBondContact O-N 2.94Å |
| 312 | F | 87.1 | Confident | 71.5 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 16% | 0.158 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 124.4 | 177.5 | 176.6 | -113.9 | 0 | 0 | 0 | 110.6 | S314 T315 I317 P321 Y324 C332 | F312-S314 VanDerWaalsContact C-N 3.29Å; F312-S314 PolarHBondContact O-N 3.48Å; F312-T315 PolarHBondContact N-O 3.37Å; F312-T315 WeakPolarHBondContact O-CA 3.32Å; F312-T315 WeakPolarHBondContact O-CB 3.23Å; F312-T315 PolarHBondContact O-N 2.8Å; F312-T315 PolarHBondContact O-OG1 3.48Å; F312-I317 HydrophobicContact CB-CD1 3.57Å; F312-I317 HydrophobicContact CB-CG1 4.19Å; F312-I317 HydrophobicContact CD1-CD1 3.97Å; F312-I317 HydrophobicContact CG-CD1 4.07Å; F312-P321 HydrophobicContact CD1-CG 3.94Å; F312-P321 HydrophobicContact CE1-CG 3.62Å; F312-P321 HydrophobicContact CE2-CG 4.23Å; F312-P321 HydrophobicContact CG-CG 4.37Å; F312-P321 HydrophobicContact CZ-CG 3.77Å; F312-Y324 HydrophobicContact CD2-CD1 4.07Å; F312-Y324 HydrophobicContact CD2-CE1 4.25Å; F312-Y324 AromaticContact CE2-CD1 3.6Å; F312-Y324 HydrophobicContact CE2-CD1 3.6Å; F312-Y324 HydrophobicContact CE2-CD2 4.35Å; F312-Y324 AromaticContact CE2-CE1 3.42Å; F312-Y324 HydrophobicContact CE2-CE1 3.42Å; F312-Y324 VanDerWaalsContact CE2-CE1 3.42Å; F312-Y324 HydrophobicContact CE2-CE2 4.21Å; F312-Y324 HydrophobicContact CE2-CG 4.1Å; F312-Y324 AromaticContact CE2-CZ 3.76Å; F312-Y324 HydrophobicContact CZ-CD1 4.5Å; F312-Y324 HydrophobicContact CZ-CE1 4.23Å; F312-Y324 HydrophobicContact CZ-CE2 4.25Å; F312-C332 HydrophobicContact CB-CB 3.86Å; F312-C332 HydrophobicContact CD2-CB 3.79Å; F312-C332 HydrophobicContact CG-CB 4.13Å |
| 313 | N | 83.5 | Confident | 73 | Confident | 124 Ų | 124 | 57.7 Ų | 57.7 | 66% | 0.663 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.6 | 52.4 | 178 | -67.6 | 1.3 | 0 | 0 | 0 | 113.6 | T315 | N313-T315 PolarHBondContact O-N 2.93Å; N313-T315 VanDerWaalsContact O-N 3.1Å |
| 314 | S | 85.2 | Confident | 74.9 | Confident | 80 Ų | 80 | 59.2 Ų | 59.2 | 56% | 0.559 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 16.1 | -176.4 | -52.9 | 0 | 0 | 0 | 0 | 116.1 | Y278 L279 F312 | Y278-S314 CarbonylContact C-O 3.21Å; Y278-S314 WeakPolarHBondContact CA-O 3Å; L279-S314 PolarHBondContact N-O 2.74Å; F312-S314 VanDerWaalsContact C-N 3.29Å; F312-S314 PolarHBondContact O-N 3.48Å |
| 315 | T | 87.5 | Confident | 76.6 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 20% | 0.202 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 154.6 | 168.9 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | L279 F312 N313 | L279-T315 HydrophobicContact CB-CG2 4.31Å; L279-T315 CarbonylContact O-C 3.49Å; L279-T315 WeakPolarHBondContact O-CA 3.49Å; F312-T315 PolarHBondContact N-O 3.37Å; F312-T315 WeakPolarHBondContact O-CA 3.32Å; F312-T315 WeakPolarHBondContact O-CB 3.23Å; F312-T315 PolarHBondContact O-N 2.8Å; F312-T315 PolarHBondContact O-OG1 3.48Å; N313-T315 PolarHBondContact O-N 2.93Å; N313-T315 VanDerWaalsContact O-N 3.1Å |
| 316 | C | 88.9 | Confident | 77.9 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 110.5 | 172.2 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | L279 L280 I286 C291 | L279-C316 PolarHBondContact O-N 2.82Å; L280-C316 HydrophobicContact CB-CB 4.45Å; L280-C316 HydrophobicContact CD1-CB 4.39Å; I286-C316 HydrophobicContact CD1-CB 4.12Å; C291-C316 WeakPolarHBondContact CA-SG 3.36Å; C291-C316 HydrophobicContact CB-CB 3.88Å; C291-C316 WeakPolarHBondContact CB-SG 3.43Å; C291-C316 VanDerWaalsContact SG-CA 3.59Å; C291-C316 WeakPolarHBondContact SG-CB 3.16Å; C291-C316 CovalentContact SG-SG 2.03Å; C291-C316 PolarHBondContact SG-SG 3.09Å |
| 317 | I | 80.9 | Confident | 78.9 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 20% | 0.195 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145 | -170.5 | 56.4 | 178.9 | 0 | 0 | 0 | 111.7 | F309 S310 F312 T319 | F309-I317 WeakPolarHBondContact CA-O 3.45Å; S310-I317 PolarHBondContact N-O 2.99Å; S310-I317 PolarHBondContact O-N 3.27Å; F312-I317 HydrophobicContact CB-CD1 3.57Å; F312-I317 HydrophobicContact CB-CG1 4.19Å; F312-I317 HydrophobicContact CD1-CD1 3.97Å; F312-I317 HydrophobicContact CG-CD1 4.07Å; I317-T319 VanDerWaalsContact C-N 3.26Å; I317-T319 WeakPolarHBondContact CD1-O 3.31Å; I317-T319 PolarHBondContact O-N 3.13Å |
| 318 | P | 75.4 | Confident | 79.7 | Confident | 42 Ų | 42 | 58.3 Ų | 58.3 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -69.7 | -22.7 | -177.9 | 27.4 | -35 | 0 | 0 | 0 | 113.3 | F309 | F309-P318 HydrophobicContact CD1-CB 4.46Å; F309-P318 HydrophobicContact CD2-CB 4.42Å; F309-P318 HydrophobicContact CE1-CB 4.12Å; F309-P318 HydrophobicContact CE2-CB 4.06Å; F309-P318 HydrophobicContact CZ-CB 3.92Å |
| 319 | T | 74.4 | Confident | 79.9 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -148.2 | 140.1 | 178.5 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | I317 | I317-T319 VanDerWaalsContact C-N 3.26Å; I317-T319 WeakPolarHBondContact CD1-O 3.31Å; I317-T319 PolarHBondContact O-N 3.13Å |
| 320 | C | 78 | Confident | 79.8 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 152.1 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | Y324 R326 C332 | C320-Y324 WeakPolarHBondContact CB-O 3.06Å; C320-R326 PolarHBondContact SG-N 3.02Å; C320-R326 VanDerWaalsContact SG-N 3.42Å; C320-C332 WeakPolarHBondContact CA-SG 3.45Å; C320-C332 HydrophobicContact CB-CB 3.8Å; C320-C332 WeakPolarHBondContact CB-SG 3.34Å; C320-C332 VanDerWaalsContact SG-CA 3.59Å; C320-C332 WeakPolarHBondContact SG-CB 3.49Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 2.6Å |
| 321 | P | 68.6 | Low | 79.8 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 171.2 | 175.2 | 27.2 | -32.1 | 0 | 0 | 0 | 112.6 | F312 Y324 | F312-P321 HydrophobicContact CD1-CG 3.94Å; F312-P321 HydrophobicContact CE1-CG 3.62Å; F312-P321 HydrophobicContact CE2-CG 4.23Å; F312-P321 HydrophobicContact CG-CG 4.37Å; F312-P321 HydrophobicContact CZ-CG 3.77Å; P321-Y324 HydrophobicContact CG-CD2 3.8Å; P321-Y324 HydrophobicContact CG-CG 4.08Å; P321-Y324 PolarHBondContact O-N 3.32Å; P321-Y324 VanDerWaalsContact O-N 3.12Å |
| 322 | L | 58.8 | Low | 79.6 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 141.6 | 167.6 | -90.6 | 150.5 | 0 | 0 | 0 | 110.4 | Y324 | L322-Y324 VanDerWaalsContact C-N 3.26Å; L322-Y324 WeakPolarHBondContact O-CD2 3.12Å; L322-Y324 PolarHBondContact O-N 3.26Å |
| 323 | E | 66.9 | Low | 79.5 | Confident | 118 Ų | 118 | 64.7 Ų | 64.7 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 6.3 | -174 | -49.4 | -173.3 | 149.7 | 0 | 0 | 116.1 | F334 C335 C340 | E323-F334 HydrophobicContact CB-CD2 4.01Å; E323-F334 HydrophobicContact CB-CE2 3.68Å; E323-F334 CarbonylContact O-C 3.51Å; E323-F334 WeakPolarHBondContact O-CA 3.43Å; E323-F334 WeakPolarHBondContact O-CD2 3.13Å; E323-C335 PolarHBondContact O-N 3.04Å; E323-C340 WeakPolarHBondContact CA-SG 3.25Å |
| 324 | Y | 77.8 | Confident | 79.3 | Confident | 70 Ų | 70 | 63 Ų | 63 | 28% | 0.275 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 146.7 | 176.9 | -68.2 | -104.8 | 0 | 0 | 0 | 113.5 | F312 C320 P321 L322 C332 Q333 F334 | F312-Y324 HydrophobicContact CD2-CD1 4.07Å; F312-Y324 HydrophobicContact CD2-CE1 4.25Å; F312-Y324 AromaticContact CE2-CD1 3.6Å; F312-Y324 HydrophobicContact CE2-CD1 3.6Å; F312-Y324 HydrophobicContact CE2-CD2 4.35Å; F312-Y324 AromaticContact CE2-CE1 3.42Å; F312-Y324 HydrophobicContact CE2-CE1 3.42Å; F312-Y324 VanDerWaalsContact CE2-CE1 3.42Å; F312-Y324 HydrophobicContact CE2-CE2 4.21Å; F312-Y324 HydrophobicContact CE2-CG 4.1Å; F312-Y324 AromaticContact CE2-CZ 3.76Å; F312-Y324 HydrophobicContact CZ-CD1 4.5Å; F312-Y324 HydrophobicContact CZ-CE1 4.23Å; F312-Y324 HydrophobicContact CZ-CE2 4.25Å; C320-Y324 WeakPolarHBondContact CB-O 3.06Å; P321-Y324 HydrophobicContact CG-CD2 3.8Å; P321-Y324 HydrophobicContact CG-CG 4.08Å; P321-Y324 PolarHBondContact O-N 3.32Å; P321-Y324 VanDerWaalsContact O-N 3.12Å; L322-Y324 VanDerWaalsContact C-N 3.26Å; L322-Y324 WeakPolarHBondContact O-CD2 3.12Å; L322-Y324 PolarHBondContact O-N 3.26Å; Y324-C332 HydrophobicContact CD1-CB 4.46Å; Y324-Q333 CarbonylContact C-O 3.59Å; Y324-Q333 VanDerWaalsContact CA-O 3.24Å; Y324-Q333 WeakPolarHBondContact CA-O 3.39Å; Y324-Q333 VanDerWaalsContact CD1-C 3.4Å; Y324-F334 HydrophobicContact CD1-CB 4.07Å; Y324-F334 VanDerWaalsContact CD1-N 3.26Å; Y324-F334 HydrophobicContact CD2-CD2 4.28Å; Y324-F334 HydrophobicContact CE1-CB 3.57Å; Y324-F334 HydrophobicContact CE1-CD2 4.29Å; Y324-F334 HydrophobicContact CE1-CG 4.4Å; Y324-F334 AromaticContact CE2-CD2 3.72Å; Y324-F334 HydrophobicContact CE2-CD2 3.72Å; Y324-F334 AromaticContact CZ-CD2 3.71Å |
| 325 | V | 76.2 | Confident | 78.6 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | L327 C332 Q333 C335 | V325-L327 PolarHBondContact O-N 2.89Å; V325-C332 CarbonylContact O-C 3.49Å; V325-C332 WeakPolarHBondContact O-CA 3.17Å; V325-Q333 PolarHBondContact N-O 3.22Å; V325-Q333 PolarHBondContact O-N 2.82Å; V325-C335 VanDerWaalsContact CG2-SG 3.53Å |
| 326 | R | 81.9 | Confident | 77.1 | Confident | 89 Ų | 89 | 62.8 Ų | 62.8 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.6 | 178 | -170.7 | -169.2 | -166.1 | -85.8 | 6.9 | 110.5 | N308 F309 S310 C320 | N308-R326 PolarHBondContact O-NE 2.9Å; F309-R326 PolarHBondContact O-NE 2.99Å; F309-R326 PolarHBondContact O-NH2 3.08Å; S310-R326 WeakPolarHBondContact OG-CD 3.5Å; S310-R326 WeakPolarHBondContact OG-CG 3.45Å; S310-R326 PolarHBondContact OG-NE 2.99Å; S310-R326 VanDerWaalsContact OG-NE 3.1Å; C320-R326 PolarHBondContact SG-N 3.02Å; C320-R326 VanDerWaalsContact SG-N 3.42Å |
| 327 | L | 81.5 | Confident | 75.3 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | trans | -71.2 | 164 | 171.1 | -68.4 | 177 | 0 | 0 | 0 | 112.4 | V325 S329 G330 E331 Q333 | V325-L327 PolarHBondContact O-N 2.89Å; L327-S329 WeakPolarHBondContact CB-OG 3.46Å; L327-S329 PolarHBondContact O-N 2.9Å; L327-G330 PolarHBondContact O-N 2.91Å; L327-E331 WeakPolarHBondContact CB-O 3.37Å; L327-E331 PolarHBondContact N-O 2.9Å; L327-Q333 HydrophobicContact CD1-CB 3.93Å; L327-Q333 HydrophobicContact CD2-CB 4.47Å; L327-Q333 HydrophobicContact CG-CB 4.05Å | ||
| 328 | V | 80.2 | Confident | 73.8 | Confident | 150 Ų | 150 | 73.6 Ų | 73.6 | 91% | 0.909 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.8 | 171.3 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | G330 | V328-G330 PolarHBondContact O-N 3.17Å; V328-G330 VanDerWaalsContact O-N 3.14Å |
| 329 | S | 81.8 | Confident | 72.8 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 38% | 0.378 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -5.2 | 175.3 | 61 | 0 | 0 | 0 | 0 | 115.3 | R288 I292 L327 E331 | R288-S329 PolarHBondContact NH2-O 2.79Å; I292-S329 WeakPolarHBondContact CD1-O 3.4Å; L327-S329 WeakPolarHBondContact CB-OG 3.46Å; L327-S329 PolarHBondContact O-N 2.9Å; S329-E331 WeakPolarHBondContact OG-CB 3.41Å |
| 330 | G | 83.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | S | Bend | trans | 88.1 | 5.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | S310 T311 L327 V328 | S310-G330 CarbonylContact C-O 3.56Å; S310-G330 WeakPolarHBondContact CA-O 3.25Å; T311-G330 PolarHBondContact N-O 2.91Å; T311-G330 PolarHBondContact OG1-O 3.07Å; L327-G330 PolarHBondContact O-N 2.91Å; V328-G330 PolarHBondContact O-N 3.17Å; V328-G330 VanDerWaalsContact O-N 3.14Å |
| 331 | E | 87.6 | Confident | 70.5 | Confident | 70 Ų | 70 | 83 Ų | 83 | 33% | 0.327 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -114.5 | 143.3 | -164 | -162.5 | 136.5 | -131 | 0 | 0 | 112.3 | R288 T311 L327 S329 | R288-E331 IonicContact NH2-OE2 3.18Å; R288-E331 PolarHBondContact NH2-OE2 2.79Å; T311-E331 WeakPolarHBondContact OG1-CA 3.3Å; T311-E331 WeakPolarHBondContact OG1-CG 3.39Å; T311-E331 PolarHBondContact OG1-OE1 2.89Å; L327-E331 WeakPolarHBondContact CB-O 3.37Å; L327-E331 PolarHBondContact N-O 2.9Å; S329-E331 WeakPolarHBondContact OG-CB 3.41Å |
| 332 | C | 85.9 | Confident | 69.9 | Low | 12 Ų | 12 | 86.7 Ų | 86.7 | 8% | 0.081 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 113.5 | -178.4 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | S310 T311 F312 C320 Y324 V325 | S310-C332 VanDerWaalsContact CB-SG 3.57Å; T311-C332 PolarHBondContact O-N 2.94Å; F312-C332 HydrophobicContact CB-CB 3.86Å; F312-C332 HydrophobicContact CD2-CB 3.79Å; F312-C332 HydrophobicContact CG-CB 4.13Å; C320-C332 WeakPolarHBondContact CA-SG 3.45Å; C320-C332 HydrophobicContact CB-CB 3.8Å; C320-C332 WeakPolarHBondContact CB-SG 3.34Å; C320-C332 VanDerWaalsContact SG-CA 3.59Å; C320-C332 WeakPolarHBondContact SG-CB 3.49Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 2.6Å; Y324-C332 HydrophobicContact CD1-CB 4.46Å; V325-C332 CarbonylContact O-C 3.49Å; V325-C332 WeakPolarHBondContact O-CA 3.17Å |
| 333 | Q | 84.9 | Confident | 70.5 | Confident | 108 Ų | 108 | 88.1 Ų | 88.1 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.4 | 178.5 | -173.4 | 177.6 | 14.6 | 0 | 0 | 112 | Y324 V325 L327 | Y324-Q333 CarbonylContact C-O 3.59Å; Y324-Q333 VanDerWaalsContact CA-O 3.24Å; Y324-Q333 WeakPolarHBondContact CA-O 3.39Å; Y324-Q333 VanDerWaalsContact CD1-C 3.4Å; V325-Q333 PolarHBondContact N-O 3.22Å; V325-Q333 PolarHBondContact O-N 2.82Å; L327-Q333 HydrophobicContact CD1-CB 3.93Å; L327-Q333 HydrophobicContact CD2-CB 4.47Å; L327-Q333 HydrophobicContact CG-CB 4.05Å |
| 334 | F | 79.7 | Confident | 71 | Confident | 90 Ų | 90 | 85 Ų | 85 | 40% | 0.395 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 141.2 | 175.7 | -176.7 | -117 | 0 | 0 | 0 | 111.9 | E323 Y324 P336 | E323-F334 HydrophobicContact CB-CD2 4.01Å; E323-F334 HydrophobicContact CB-CE2 3.68Å; E323-F334 CarbonylContact O-C 3.51Å; E323-F334 WeakPolarHBondContact O-CA 3.43Å; E323-F334 WeakPolarHBondContact O-CD2 3.13Å; Y324-F334 HydrophobicContact CD1-CB 4.07Å; Y324-F334 VanDerWaalsContact CD1-N 3.26Å; Y324-F334 HydrophobicContact CD2-CD2 4.28Å; Y324-F334 HydrophobicContact CE1-CB 3.57Å; Y324-F334 HydrophobicContact CE1-CD2 4.29Å; Y324-F334 HydrophobicContact CE1-CG 4.4Å; Y324-F334 AromaticContact CE2-CD2 3.72Å; Y324-F334 HydrophobicContact CE2-CD2 3.72Å; Y324-F334 AromaticContact CZ-CD2 3.71Å; F334-P336 HydrophobicContact CD1-CB 4.43Å; F334-P336 HydrophobicContact CD1-CG 3.76Å; F334-P336 HydrophobicContact CE1-CB 3.83Å; F334-P336 HydrophobicContact CE1-CG 3.62Å |
| 335 | C | 69.6 | Low | 71.2 | Confident | 29 Ų | 29 | 82.1 Ų | 82.1 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | trans | -123.1 | 89 | 177.9 | -75.8 | 0 | 0 | 0 | 0 | 110.6 | E323 V325 C340 | E323-C335 PolarHBondContact O-N 3.04Å; V325-C335 VanDerWaalsContact CG2-SG 3.53Å; C335-C340 HydrophobicContact CB-CB 3.61Å | ||
| 336 | P | 57 | Low | 71.5 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 51% | 0.506 | 44% | 0.436 | S | S | . | . | trans | -60.3 | 144.2 | 171.8 | -1.3 | 10.7 | 0 | 0 | 0 | 110.7 | F334 | F334-P336 HydrophobicContact CD1-CB 4.43Å; F334-P336 HydrophobicContact CD1-CG 3.76Å; F334-P336 HydrophobicContact CE1-CB 3.83Å; F334-P336 HydrophobicContact CE1-CG 3.62Å | ||
| 337 | D | 51.2 | Low | 71.5 | Confident | 140 Ų | 140 | 78.8 Ų | 78.8 | 75% | 0.749 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 109.9 | 165.9 | -57.7 | -45 | 0 | 0 | 0 | 117.9 | K339 | D337-K339 PolarHBondContact O-N 2.78Š|
| 338 | S | 49.5 | Very low | 71.7 | Confident | 128 Ų | 128 | 75.9 Ų | 75.9 | 90% | 0.895 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | -20.3 | 165.2 | 74.3 | 0 | 0 | 0 | 0 | 118.5 | ||
| 339 | K | 52.5 | Low | 71.9 | Confident | 180 Ų | 180 | 71 Ų | 71 | 78% | 0.783 | 38% | 0.382 | S | S | * | . | trans | -93 | -15.3 | -176.9 | -72.2 | -178.9 | 179.1 | 173.8 | 0 | 114.8 | D337 | D337-K339 PolarHBondContact O-N 2.78Š| ||
| 340 | C | 52.9 | Low | 72.1 | Confident | 27 Ų | 27 | 68.4 Ų | 68.4 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -71.7 | 140.4 | 174.5 | -159.4 | 0 | 0 | 0 | 0 | 111.1 | E323 C335 K342 | E323-C340 WeakPolarHBondContact CA-SG 3.25Å; C335-C340 HydrophobicContact CB-CB 3.61Å; C340-K342 PolarHBondContact O-N 2.78Å |
| 341 | I | 53 | Low | 72 | Confident | 142 Ų | 142 | 73.8 Ų | 73.8 | 73% | 0.728 | 39% | 0.385 | S | S | * | . | trans | -74.1 | 96.3 | -174.4 | -56.1 | 177.2 | 0 | 0 | 0 | 110.1 | R343 | I341-R343 PolarHBondContact O-N 2.81Š| ||
| 342 | K | 55.3 | Low | 71.7 | Confident | 128 Ų | 128 | 74.8 Ų | 74.8 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | trans | -37.5 | 121.6 | 164.7 | -79.6 | -178.3 | 140.4 | -169.9 | 0 | 110.9 | C340 A344 V363 E391 | C340-K342 PolarHBondContact O-N 2.78Å; K342-A344 PolarHBondContact O-N 2.85Å; K342-V363 HydrophobicContact CB-CB 3.9Å; K342-V363 HydrophobicContact CB-CG1 4.44Å; K342-V363 HydrophobicContact CB-CG2 3.6Å; K342-V363 HydrophobicContact CD-CB 4.32Å; K342-V363 HydrophobicContact CD-CG1 4.04Å; K342-V363 HydrophobicContact CD-CG2 3.88Å; K342-V363 HydrophobicContact CG-CB 4.4Å; K342-V363 HydrophobicContact CG-CG2 3.72Å; K342-E391 IonicContact NZ-OE1 2.64Å; K342-E391 PolarHBondContact NZ-OE1 2.89Å | ||
| 343 | R | 70.2 | Confident | 71.5 | Confident | 128 Ų | 128 | 75.5 Ų | 75.5 | 48% | 0.483 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 128.6 | -163.3 | -166.6 | -176.3 | 175.2 | -147.8 | 0.7 | 112.4 | I341 C345 G361 V363 T364 | I341-R343 PolarHBondContact O-N 2.81Å; R343-C345 PolarHBondContact O-N 3.03Å; R343-G361 VanDerWaalsContact CB-O 3.27Å; R343-G361 WeakPolarHBondContact CB-O 3.39Å; R343-V363 PolarHBondContact O-N 2.63Å; R343-T364 PolarHBondContact O-N 3.33Å |
| 344 | A | 77.7 | Confident | 71.2 | Confident | 53 Ų | 53 | 73.4 Ų | 73.4 | 44% | 0.438 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 75.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K342 T364 R422 | K342-A344 PolarHBondContact O-N 2.85Å; A344-T364 CarbonylContact C-O 3.48Å; A344-T364 WeakPolarHBondContact CA-OG1 3.43Å; A344-R422 PolarHBondContact O-NH1 3.42Å; A344-R422 PolarHBondContact O-NH2 2.79Å |
| 345 | C | 83.3 | Confident | 71.5 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | trans | -65.4 | 165.1 | -172.9 | -63.5 | 0 | 0 | 0 | 0 | 114.7 | R343 I348 C362 T364 Q366 R422 | R343-C345 PolarHBondContact O-N 3.03Å; C345-I348 HydrophobicContact CB-CD1 4.33Å; C345-C362 HydrophobicContact CB-CB 3.75Å; C345-C362 WeakPolarHBondContact CB-SG 3.48Å; C345-C362 WeakPolarHBondContact SG-CB 3.49Å; C345-C362 CovalentContact SG-SG 2.02Å; C345-C362 PolarHBondContact SG-SG 2.75Å; C345-T364 WeakPolarHBondContact CA-O 3.05Å; C345-T364 WeakPolarHBondContact CB-O 3.36Å; C345-T364 PolarHBondContact N-O 3.02Å; C345-Q366 PolarHBondContact O-N 2.8Å; C345-R422 PolarHBondContact O-NH2 2.71Å | ||
| 346 | G | 81.3 | Confident | 72.2 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | trans | -91.2 | -146.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q366 | G346-Q366 VanDerWaalsContact C-CB 3.4Å; G346-Q366 WeakPolarHBondContact O-CB 3.21Å; G346-Q366 PolarHBondContact O-N 3.34Å | ||
| 347 | D | 83.6 | Confident | 73.5 | Confident | 34 Ų | 34 | 74 Ų | 74 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.7 | 170 | -69.9 | -12.8 | 0 | 0 | 0 | 109.2 | K111 V301 Q366 S367 | K111-D347 WeakPolarHBondContact CE-OD2 3.44Å; K111-D347 IonicContact NZ-OD2 3.73Å; K111-D347 PolarHBondContact NZ-OD2 3.36Å; V301-D347 HydrophobicContact CG1-CB 4.49Å; V301-D347 VanDerWaalsContact CG1-OD2 3.25Å; V301-D347 WeakPolarHBondContact CG1-OD2 3.43Å; V301-D347 HydrophobicContact CG2-CB 3.96Å; D347-Q366 WeakPolarHBondContact OD1-CG 3.48Å; D347-S367 WeakPolarHBondContact CA-O 3.04Å; D347-S367 WeakPolarHBondContact CB-OG 2.96Å; D347-S367 PolarHBondContact OD1-OG 3.22Å |
| 348 | I | 85.6 | Confident | 75 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.8 | -179.8 | -53.6 | -178.9 | 0 | 0 | 0 | 109.2 | C345 V350 Q358 V359 A365 S367 I368 L369 | C345-I348 HydrophobicContact CB-CD1 4.33Å; I348-V350 HydrophobicContact CG2-CG2 4.24Å; I348-Q358 HydrophobicContact CG2-CB 3.78Å; I348-V359 HydrophobicContact CD1-CG2 4.16Å; I348-V359 HydrophobicContact CG2-CG2 3.76Å; I348-A365 HydrophobicContact CD1-CB 3.93Å; I348-A365 HydrophobicContact CG1-CB 4.45Å; I348-S367 PolarHBondContact N-O 3.33Å; I348-I368 HydrophobicContact CB-CG1 4.21Å; I348-I368 HydrophobicContact CD1-CD1 4.2Å; I348-I368 HydrophobicContact CD1-CG1 4.29Å; I348-I368 HydrophobicContact CG1-CG1 4.48Å; I348-I368 CarbonylContact O-C 3.59Å; I348-I368 WeakPolarHBondContact O-CA 3.46Å; I348-L369 PolarHBondContact O-N 3Å |
| 349 | N | 84.2 | Confident | 76.7 | Confident | 48 Ų | 48 | 65 Ų | 65 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.7 | 179.1 | -55.3 | -98.9 | 0 | 0 | 0 | 110.1 | Y351 Q358 L369 | N349-Y351 HydrophobicContact CB-CD2 4.41Å; N349-Y351 HydrophobicContact CB-CE2 3.67Å; N349-Q358 PolarHBondContact O-NE2 3.09Å; N349-L369 CarbonylContact C-O 3.52Å; N349-L369 WeakPolarHBondContact CA-O 3.34Å |
| 350 | V | 85.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 107.2 | -176.5 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | I348 D355 L356 L369 I370 S371 | I348-V350 HydrophobicContact CG2-CG2 4.24Å; V350-D355 HydrophobicContact CB-CB 4.42Å; V350-D355 HydrophobicContact CG1-CB 4.25Å; V350-L356 HydrophobicContact CG1-CD2 3.94Å; V350-L356 HydrophobicContact CG1-CG 4.4Å; V350-L356 HydrophobicContact CG2-CD2 4.47Å; V350-L369 PolarHBondContact N-O 2.96Å; V350-I370 HydrophobicContact CB-CG1 4.43Å; V350-I370 HydrophobicContact CB-CG2 4.46Å; V350-S371 PolarHBondContact O-N 3.38Å |
| 351 | Y | 81.1 | Confident | 79.2 | Confident | 112 Ų | 112 | 62.4 Ų | 62.4 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -108 | -19.8 | 178.3 | -61.3 | -74.4 | 0 | 0 | 0 | 112.9 | N349 D355 L369 | N349-Y351 HydrophobicContact CB-CD2 4.41Å; N349-Y351 HydrophobicContact CB-CE2 3.67Å; Y351-D355 PolarHBondContact N-OD2 3.01Å; Y351-L369 HydrophobicContact CE1-CD2 4.4Å; Y351-L369 WeakPolarHBondContact OH-CD2 3.45Å |
| 352 | K | 81.7 | Confident | 80.8 | Confident | 92 Ų | 92 | 55.7 Ų | 55.7 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -150.5 | 159.4 | 177.3 | 48.7 | 174 | 165.3 | 60 | 0 | 110.1 | S354 D355 | K352-S354 WeakPolarHBondContact CD-OG 3.5Å; K352-S354 PolarHBondContact NZ-OG 2.8Å; K352-S354 PolarHBondContact O-N 2.79Å; K352-D355 WeakPolarHBondContact CG-OD1 3.44Å; K352-D355 VanDerWaalsContact CG-OD2 3.25Å; K352-D355 WeakPolarHBondContact CG-OD2 3.23Å; K352-D355 PolarHBondContact N-OD2 3.3Å; K352-D355 IonicContact NZ-OD1 2.67Å; K352-D355 PolarHBondContact NZ-OD1 3.1Å; K352-D355 IonicContact NZ-OD2 3.09Å; K352-D355 WeakPolarHBondContact O-CB 3.36Å; K352-D355 VanDerWaalsContact O-CG 3.29Å; K352-D355 PolarHBondContact O-N 2.79Å |
| 353 | V | 81.6 | Confident | 82.3 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 16% | 0.164 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -52.7 | -34.1 | -174.7 | -169.4 | 0 | 0 | 0 | 0 | 113.5 | D355 L356 I372 C375 D379 K382 | V353-D355 PolarHBondContact O-N 3.49Å; V353-D355 VanDerWaalsContact O-N 3.1Å; V353-L356 HydrophobicContact CG1-CD1 3.79Å; V353-L356 WeakPolarHBondContact O-CB 3.35Å; V353-L356 WeakPolarHBondContact O-CD1 3.32Å; V353-L356 WeakPolarHBondContact O-CG 3.38Å; V353-L356 PolarHBondContact O-N 3.48Å; V353-I372 HydrophobicContact CG2-CD1 3.74Å; V353-C375 HydrophobicContact CG2-CB 4.47Å; V353-D379 HydrophobicContact CG1-CB 4.05Å; V353-D379 HydrophobicContact CG2-CB 4.18Å; V353-D379 WeakPolarHBondContact CG2-OD2 2.98Å; V353-K382 HydrophobicContact CG1-CB 4.23Å; V353-K382 HydrophobicContact CG1-CD 3.78Å |
| 354 | S | 79.4 | Confident | 83.2 | Confident | 63 Ų | 63 | 45.3 Ų | 45.3 | 44% | 0.441 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -60.1 | -23.2 | 177 | 66.9 | 0 | 0 | 0 | 0 | 114.4 | K352 L356 | K352-S354 WeakPolarHBondContact CD-OG 3.5Å; K352-S354 PolarHBondContact NZ-OG 2.8Å; K352-S354 PolarHBondContact O-N 2.79Å; S354-L356 VanDerWaalsContact C-N 3.31Å |
| 355 | D | 84.2 | Confident | 83.8 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -80.9 | -16.1 | -171.9 | -56.6 | -14.4 | 0 | 0 | 0 | 112.1 | V350 Y351 K352 V353 K357 Q358 | V350-D355 HydrophobicContact CB-CB 4.42Å; V350-D355 HydrophobicContact CG1-CB 4.25Å; Y351-D355 PolarHBondContact N-OD2 3.01Å; K352-D355 WeakPolarHBondContact CG-OD1 3.44Å; K352-D355 VanDerWaalsContact CG-OD2 3.25Å; K352-D355 WeakPolarHBondContact CG-OD2 3.23Å; K352-D355 PolarHBondContact N-OD2 3.3Å; K352-D355 IonicContact NZ-OD1 2.67Å; K352-D355 PolarHBondContact NZ-OD1 3.1Å; K352-D355 IonicContact NZ-OD2 3.09Å; K352-D355 WeakPolarHBondContact O-CB 3.36Å; K352-D355 VanDerWaalsContact O-CG 3.29Å; K352-D355 PolarHBondContact O-N 2.79Å; V353-D355 PolarHBondContact O-N 3.49Å; V353-D355 VanDerWaalsContact O-N 3.1Å; D355-K357 PolarHBondContact O-N 3.01Å; D355-K357 VanDerWaalsContact O-N 3.08Å; D355-Q358 WeakPolarHBondContact O-CB 3.21Å; D355-Q358 WeakPolarHBondContact O-CG 3.26Å; D355-Q358 PolarHBondContact O-N 3.05Å; D355-Q358 PolarHBondContact O-NE2 2.82Å |
| 356 | L | 85.4 | Confident | 83.9 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -53.9 | -25.6 | 174.8 | -67.8 | 175.7 | 0 | 0 | 0 | 113.1 | V350 V353 S354 Q358 V359 K382 F383 A386 F387 | V350-L356 HydrophobicContact CG1-CD2 3.94Å; V350-L356 HydrophobicContact CG1-CG 4.4Å; V350-L356 HydrophobicContact CG2-CD2 4.47Å; V353-L356 HydrophobicContact CG1-CD1 3.79Å; V353-L356 WeakPolarHBondContact O-CB 3.35Å; V353-L356 WeakPolarHBondContact O-CD1 3.32Å; V353-L356 WeakPolarHBondContact O-CG 3.38Å; V353-L356 PolarHBondContact O-N 3.48Å; S354-L356 VanDerWaalsContact C-N 3.31Å; L356-Q358 PolarHBondContact O-N 3.02Å; L356-V359 PolarHBondContact O-N 3.49Å; L356-K382 HydrophobicContact CD1-CB 4.09Å; L356-F383 HydrophobicContact CD1-CD1 4.41Å; L356-F383 HydrophobicContact CD1-CD2 3.79Å; L356-F383 HydrophobicContact CD1-CE2 3.88Å; L356-F383 HydrophobicContact CD1-CG 4.06Å; L356-F383 HydrophobicContact CD1-CZ 4.23Å; L356-F383 HydrophobicContact CD2-CD1 3.92Å; L356-F383 HydrophobicContact CD2-CE1 3.77Å; L356-F383 HydrophobicContact CD2-CG 4.38Å; L356-F383 HydrophobicContact CD2-CZ 4.08Å; L356-A386 HydrophobicContact CB-CB 3.69Å; L356-A386 HydrophobicContact CD2-CB 4.21Å; L356-A386 HydrophobicContact CG-CB 4.37Å; L356-F387 HydrophobicContact CD2-CD2 4.35Å; L356-F387 HydrophobicContact CD2-CE2 3.69Å |
| 357 | K | 83.6 | Confident | 84.3 | Confident | 179 Ų | 179 | 42.1 Ų | 42.1 | 78% | 0.778 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -55.7 | -17.1 | 172.9 | -64.3 | -175.5 | 179.5 | -172.4 | 0 | 114.2 | D355 | D355-K357 PolarHBondContact O-N 3.01Å; D355-K357 VanDerWaalsContact O-N 3.08Å |
| 358 | Q | 83.3 | Confident | 84.7 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -75.4 | -24.6 | 173.7 | -68.5 | 166.5 | 95.2 | 0 | 0 | 113.8 | I348 N349 D355 L356 C362 | I348-Q358 HydrophobicContact CG2-CB 3.78Å; N349-Q358 PolarHBondContact O-NE2 3.09Å; D355-Q358 WeakPolarHBondContact O-CB 3.21Å; D355-Q358 WeakPolarHBondContact O-CG 3.26Å; D355-Q358 PolarHBondContact O-N 3.05Å; D355-Q358 PolarHBondContact O-NE2 2.82Å; L356-Q358 PolarHBondContact O-N 3.02Å; Q358-C362 PolarHBondContact O-SG 2.97Å |
| 359 | V | 85.4 | Confident | 85 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -32.8 | -175.7 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | I348 L356 G361 C362 A386 F387 | I348-V359 HydrophobicContact CD1-CG2 4.16Å; I348-V359 HydrophobicContact CG2-CG2 3.76Å; L356-V359 PolarHBondContact O-N 3.49Å; V359-G361 PolarHBondContact O-N 3.14Å; V359-C362 WeakPolarHBondContact O-CB 3.41Å; V359-C362 PolarHBondContact O-N 3.47Å; V359-C362 PolarHBondContact O-SG 2.82Å; V359-A386 CarbonylContact C-O 3.54Å; V359-A386 VanDerWaalsContact CB-O 3.32Å; V359-A386 WeakPolarHBondContact CB-O 3.23Å; V359-A386 WeakPolarHBondContact CG1-O 3.45Å; V359-F387 HydrophobicContact CG1-CD1 3.72Å; V359-F387 HydrophobicContact CG1-CE1 3.88Å; V359-F387 HydrophobicContact CG1-CG 4.06Å; V359-F387 HydrophobicContact CG1-CZ 4.35Å; V359-F387 HydrophobicContact CG2-CE1 4.03Å; V359-F387 HydrophobicContact CG2-CE2 4.11Å; V359-F387 HydrophobicContact CG2-CZ 3.77Å |
| 360 | R | 82.9 | Confident | 85.4 | Confident | 144 Ų | 144 | 39.6 Ų | 39.6 | 54% | 0.543 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 124.7 | -172.1 | -154.6 | 178.7 | -167.3 | -155.8 | 6.8 | 111.8 | C362 D385 A386 | R360-C362 VanDerWaalsContact C-N 3.3Å; R360-C362 PolarHBondContact O-N 3.01Å; R360-D385 IonicContact CZ-OD1 2.98Å; R360-D385 VanDerWaalsContact CZ-OD1 3.3Å; R360-D385 IonicContact CZ-OD2 3.27Å; R360-D385 VanDerWaalsContact NE-CG 3.32Å; R360-D385 IonicContact NE-OD1 3.27Å; R360-D385 PolarHBondContact NE-OD1 3.43Å; R360-D385 VanDerWaalsContact NE-OD1 3.11Å; R360-D385 IonicContact NE-OD2 2.67Å; R360-D385 PolarHBondContact NE-OD2 2.82Å; R360-D385 VanDerWaalsContact NH2-CG 3.28Å; R360-D385 IonicContact NH2-OD1 3.85Å; R360-D385 PolarHBondContact NH2-OD1 3.22Å; R360-D385 IonicContact NH2-OD2 3.76Å; R360-D385 PolarHBondContact NH2-OD2 3.36Å; R360-D385 VanDerWaalsContact NH2-OD2 3.15Å; R360-A386 PolarHBondContact N-O 2.79Å |
| 361 | G | 75.7 | Confident | 85.5 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 3.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R343 V359 D389 | R343-G361 VanDerWaalsContact CB-O 3.27Å; R343-G361 WeakPolarHBondContact CB-O 3.39Å; V359-G361 PolarHBondContact O-N 3.14Å; G361-D389 VanDerWaalsContact CA-OD2 3.31Å; G361-D389 WeakPolarHBondContact CA-OD2 3.47Å; G361-D389 PolarHBondContact N-OD2 3.36Å |
| 362 | C | 85.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.5 | 170.2 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | C345 Q358 V359 R360 D389 L390 | C345-C362 HydrophobicContact CB-CB 3.75Å; C345-C362 WeakPolarHBondContact CB-SG 3.48Å; C345-C362 WeakPolarHBondContact SG-CB 3.49Å; C345-C362 CovalentContact SG-SG 2.02Å; C345-C362 PolarHBondContact SG-SG 2.75Å; Q358-C362 PolarHBondContact O-SG 2.97Å; V359-C362 WeakPolarHBondContact O-CB 3.41Å; V359-C362 PolarHBondContact O-N 3.47Å; V359-C362 PolarHBondContact O-SG 2.82Å; R360-C362 VanDerWaalsContact C-N 3.3Å; R360-C362 PolarHBondContact O-N 3.01Å; C362-D389 CarbonylContact O-C 3.59Å; C362-L390 HydrophobicContact CB-CD1 4.38Å; C362-L390 VanDerWaalsContact O-CA 3.31Å; C362-L390 WeakPolarHBondContact O-CA 3.25Å; C362-L390 PolarHBondContact O-N 3.23Å |
| 363 | V | 87.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -31.5 | 172.5 | -176.4 | 0 | 0 | 0 | 0 | 112 | K342 R343 D389 E391 E392 | K342-V363 HydrophobicContact CB-CB 3.9Å; K342-V363 HydrophobicContact CB-CG1 4.44Å; K342-V363 HydrophobicContact CB-CG2 3.6Å; K342-V363 HydrophobicContact CD-CB 4.32Å; K342-V363 HydrophobicContact CD-CG1 4.04Å; K342-V363 HydrophobicContact CD-CG2 3.88Å; K342-V363 HydrophobicContact CG-CB 4.4Å; K342-V363 HydrophobicContact CG-CG2 3.72Å; R343-V363 PolarHBondContact O-N 2.63Å; V363-D389 WeakPolarHBondContact CA-O 3.05Å; V363-D389 HydrophobicContact CG2-CB 4.23Å; V363-D389 WeakPolarHBondContact CG2-O 3.48Å; V363-E391 HydrophobicContact CG1-CB 3.87Å; V363-E391 HydrophobicContact CG1-CG 3.95Å; V363-E391 PolarHBondContact O-N 3.45Å; V363-E392 PolarHBondContact O-N 3.07Å |
| 364 | T | 88.9 | Confident | 84.7 | Confident | 26 Ų | 26 | 37.2 Ų | 37.2 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.4 | 167 | 78.6 | 0 | 0 | 0 | 0 | 110.9 | R343 A344 C345 E392 H394 R422 | R343-T364 PolarHBondContact O-N 3.33Å; A344-T364 CarbonylContact C-O 3.48Å; A344-T364 WeakPolarHBondContact CA-OG1 3.43Å; C345-T364 WeakPolarHBondContact CA-O 3.05Å; C345-T364 WeakPolarHBondContact CB-O 3.36Å; C345-T364 PolarHBondContact N-O 3.02Å; T364-E392 CarbonylContact C-O 3.6Å; T364-E392 VanDerWaalsContact CA-O 3.25Å; T364-E392 WeakPolarHBondContact CA-O 3.39Å; T364-E392 HydrophobicContact CG2-CB 3.93Å; T364-E392 HydrophobicContact CG2-CG 4.26Å; T364-H394 PolarHBondContact OG1-NE2 3.28Å; T364-R422 PolarHBondContact OG1-NH2 2.81Å |
| 365 | A | 89.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I348 I368 L390 E392 I393 H394 | I348-A365 HydrophobicContact CD1-CB 3.93Å; I348-A365 HydrophobicContact CG1-CB 4.45Å; A365-I368 HydrophobicContact CB-CD1 3.93Å; A365-I368 HydrophobicContact CB-CG1 3.85Å; A365-L390 HydrophobicContact CB-CD1 4.08Å; A365-E392 PolarHBondContact N-O 3.37Å; A365-I393 HydrophobicContact CB-CG1 4.44Å; A365-I393 CarbonylContact O-C 3.33Å; A365-I393 WeakPolarHBondContact O-CA 3.08Å; A365-H394 PolarHBondContact O-CD2 3.49Å; A365-H394 VanDerWaalsContact O-CD2 3.22Å; A365-H394 PolarHBondContact O-N 3.3Å |
| 366 | Q | 86.1 | Confident | 83.7 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -49 | 175.9 | -176.4 | 64.6 | 38.4 | 0 | 0 | 110.5 | C345 G346 D347 T395 | C345-Q366 PolarHBondContact O-N 2.8Å; G346-Q366 VanDerWaalsContact C-CB 3.4Å; G346-Q366 WeakPolarHBondContact O-CB 3.21Å; G346-Q366 PolarHBondContact O-N 3.34Å; D347-Q366 WeakPolarHBondContact OD1-CG 3.48Å; Q366-T395 VanDerWaalsContact NE2-CG2 3.32Å; Q366-T395 WeakPolarHBondContact O-CB 3.29Å; Q366-T395 PolarHBondContact O-N 3.12Å; Q366-T395 PolarHBondContact O-OG1 2.94Å |
| 367 | S | 88.7 | Confident | 82.6 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 159.7 | 170.7 | 65.9 | 0 | 0 | 0 | 0 | 109.6 | D347 I348 T395 S396 | D347-S367 WeakPolarHBondContact CA-O 3.04Å; D347-S367 WeakPolarHBondContact CB-OG 2.96Å; D347-S367 PolarHBondContact OD1-OG 3.22Å; I348-S367 PolarHBondContact N-O 3.33Å; S367-T395 WeakPolarHBondContact CB-OG1 3.29Å; S367-S396 CarbonylContact C-O 3.59Å; S367-S396 VanDerWaalsContact CA-O 3.27Å; S367-S396 WeakPolarHBondContact CA-O 3.48Å; S367-S396 WeakPolarHBondContact CB-O 3.28Å |
| 368 | I | 93.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.2 | 174.5 | -56.1 | -169.2 | 0 | 0 | 0 | 109.8 | I348 A365 I370 F387 L390 I393 S396 L397 H398 | I348-I368 HydrophobicContact CB-CG1 4.21Å; I348-I368 HydrophobicContact CD1-CD1 4.2Å; I348-I368 HydrophobicContact CD1-CG1 4.29Å; I348-I368 HydrophobicContact CG1-CG1 4.48Å; I348-I368 CarbonylContact O-C 3.59Å; I348-I368 WeakPolarHBondContact O-CA 3.46Å; A365-I368 HydrophobicContact CB-CD1 3.93Å; A365-I368 HydrophobicContact CB-CG1 3.85Å; I368-I370 HydrophobicContact CG2-CG1 4.06Å; I368-F387 HydrophobicContact CD1-CE1 4.29Å; I368-L390 HydrophobicContact CD1-CD1 4.38Å; I368-L390 HydrophobicContact CD1-CD2 3.38Å; I368-I393 HydrophobicContact CB-CD1 4.4Å; I368-I393 HydrophobicContact CD1-CD1 3.78Å; I368-I393 HydrophobicContact CD1-CG1 4.08Å; I368-I393 HydrophobicContact CG1-CD1 4.01Å; I368-I393 HydrophobicContact CG1-CG1 4.29Å; I368-S396 PolarHBondContact N-O 3.12Å; I368-L397 HydrophobicContact CB-CD1 3.81Å; I368-L397 HydrophobicContact CG2-CD1 3.91Å; I368-L397 CarbonylContact O-C 3.53Å; I368-L397 WeakPolarHBondContact O-CA 3.42Å; I368-H398 PolarHBondContact O-N 2.96Å |
| 369 | L | 90.8 | Very high | 81.5 | Confident | 33 Ų | 33 | 32.9 Ų | 32.9 | 17% | 0.173 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.7 | 170.2 | 173.2 | 61.4 | 0 | 0 | 0 | 109.5 | I348 N349 V350 Y351 H398 I400 | I348-L369 PolarHBondContact O-N 3Å; N349-L369 CarbonylContact C-O 3.52Å; N349-L369 WeakPolarHBondContact CA-O 3.34Å; V350-L369 PolarHBondContact N-O 2.96Å; Y351-L369 HydrophobicContact CE1-CD2 4.4Å; Y351-L369 WeakPolarHBondContact OH-CD2 3.45Å; L369-H398 CarbonylContact C-O 3.55Å; L369-H398 VanDerWaalsContact CA-O 3.31Å; L369-H398 WeakPolarHBondContact CA-O 3.46Å; L369-H398 HydrophobicContact CD1-CB 3.75Å; L369-I400 HydrophobicContact CD1-CD1 3.74Å; L369-I400 HydrophobicContact CD1-CG1 3.74Å |
| 370 | I | 92.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.2 | 171.3 | -51.7 | -179.4 | 0 | 0 | 0 | 108 | V350 I368 I372 F387 H398 I399 I400 S402 L405 F410 | V350-I370 HydrophobicContact CB-CG1 4.43Å; V350-I370 HydrophobicContact CB-CG2 4.46Å; I368-I370 HydrophobicContact CG2-CG1 4.06Å; I370-I372 HydrophobicContact CG2-CG2 3.99Å; I370-F387 HydrophobicContact CD1-CE1 4.4Å; I370-F387 HydrophobicContact CD1-CE2 4.42Å; I370-F387 HydrophobicContact CD1-CZ 3.73Å; I370-H398 PolarHBondContact N-O 2.92Å; I370-I399 HydrophobicContact CB-CG1 4.3Å; I370-I399 HydrophobicContact CB-CG2 4.29Å; I370-I399 HydrophobicContact CD1-CD1 4.48Å; I370-I399 HydrophobicContact CD1-CG1 4.26Å; I370-I399 HydrophobicContact CG1-CG1 4.43Å; I370-I399 CarbonylContact O-C 3.59Å; I370-I399 WeakPolarHBondContact O-CA 3.48Å; I370-I400 PolarHBondContact O-N 3.13Å; I370-S402 PolarHBondContact O-OG 2.69Å; I370-L405 HydrophobicContact CG2-CD1 4.21Å; I370-F410 HydrophobicContact CD1-CE2 3.76Å; I370-F410 HydrophobicContact CD1-CZ 3.92Å |
| 371 | S | 89.1 | Confident | 80.7 | Confident | 17 Ų | 17 | 30.9 Ų | 30.9 | 12% | 0.119 | 18% | 0.182 | C | C | . | . | trans | -147 | 66.1 | 177.2 | -162.2 | 0 | 0 | 0 | 0 | 109.8 | V350 I400 S402 | V350-S371 PolarHBondContact O-N 3.38Å; S371-I400 VanDerWaalsContact CA-O 3.25Å; S371-I400 WeakPolarHBondContact CA-O 3.48Å; S371-I400 VanDerWaalsContact CB-O 3.23Å; S371-I400 WeakPolarHBondContact CB-O 3.33Å; S371-I400 PolarHBondContact OG-O 2.84Å; S371-S402 WeakPolarHBondContact CA-OG 3.19Å | ||
| 372 | I | 81.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -99.6 | 118.2 | -171.1 | -173.3 | 169 | 0 | 0 | 0 | 112.3 | V353 I370 D374 C375 F383 S402 L405 | V353-I372 HydrophobicContact CG2-CD1 3.74Å; I370-I372 HydrophobicContact CG2-CG2 3.99Å; I372-D374 WeakPolarHBondContact CD1-O 3.48Å; I372-D374 VanDerWaalsContact CG1-O 3.32Å; I372-D374 WeakPolarHBondContact CG1-O 3.48Å; I372-C375 HydrophobicContact CD1-CB 4.05Å; I372-C375 HydrophobicContact CG1-CB 4.48Å; I372-F383 HydrophobicContact CD1-CE2 4.04Å; I372-F383 HydrophobicContact CD1-CZ 3.73Å; I372-F383 HydrophobicContact CG2-CZ 4.22Å; I372-S402 PolarHBondContact N-OG 3.49Å; I372-S402 VanDerWaalsContact N-OG 3.08Å; I372-S402 CarbonylContact O-C 3.6Å; I372-S402 WeakPolarHBondContact O-CA 3.45Å; I372-L405 HydrophobicContact CG2-CD1 3.83Å; I372-L405 HydrophobicContact CG2-CD2 4Å; I372-L405 HydrophobicContact CG2-CG 3.75Å | ||
| 373 | R | 72.9 | Confident | 81.3 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -89 | -33.9 | -175.2 | -71.5 | -174.9 | 144.9 | -161.2 | -18.2 | 114.2 | S404 D791 | R373-S404 WeakPolarHBondContact O-CB 3.23Å; R373-S404 PolarHBondContact O-OG 2.94Å; R373-D791 IonicContact NH1-OD1 3.97Å; R373-D791 PolarHBondContact NH1-OD1 3.47Å |
| 374 | D | 72.8 | Confident | 81.1 | Confident | 104 Ų | 104 | 37.4 Ų | 37.4 | 56% | 0.556 | 21% | 0.208 | S | C | * | . | trans | -127.7 | 128.1 | -179.2 | -63.3 | -61 | 0 | 0 | 0 | 109.9 | I372 K564 | I372-D374 WeakPolarHBondContact CD1-O 3.48Å; I372-D374 VanDerWaalsContact CG1-O 3.32Å; I372-D374 WeakPolarHBondContact CG1-O 3.48Å; D374-K564 IonicContact OD1-NZ 2.73Å; D374-K564 PolarHBondContact OD1-NZ 2.87Å | ||
| 375 | C | 71.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | trans | -160 | 135.8 | 179.6 | -178.8 | 0 | 0 | 0 | 0 | 106.4 | V353 I372 D379 F383 C562 | V353-C375 HydrophobicContact CG2-CB 4.47Å; I372-C375 HydrophobicContact CD1-CB 4.05Å; I372-C375 HydrophobicContact CG1-CB 4.48Å; C375-D379 VanDerWaalsContact SG-CB 3.54Å; C375-F383 VanDerWaalsContact SG-CE2 3.59Å; C375-C562 HydrophobicContact CB-CB 3.53Å; C375-C562 WeakPolarHBondContact CB-SG 3.4Å; C375-C562 WeakPolarHBondContact O-CB 3.4Å; C375-C562 WeakPolarHBondContact SG-CB 3.42Å; C375-C562 CovalentContact SG-SG 2.02Å; C375-C562 PolarHBondContact SG-SG 3.35Å | ||
| 376 | E | 70.7 | Confident | 80.8 | Confident | 146 Ų | 146 | 39.6 Ų | 39.6 | 68% | 0.682 | 22% | 0.219 | S | C | * | . | trans | -111 | 161.2 | -175 | -66.9 | 163.1 | -165.6 | 0 | 0 | 109.8 | G378 D379 | E376-G378 PolarHBondContact O-N 3.27Å; E376-G378 VanDerWaalsContact O-N 3.08Å; E376-D379 PolarHBondContact N-OD2 3.48Å; E376-D379 VanDerWaalsContact O-CB 3.28Å; E376-D379 WeakPolarHBondContact O-CB 3.18Å; E376-D379 PolarHBondContact O-N 2.83Å | ||
| 377 | D | 63.2 | Low | 81 | Confident | 45 Ų | 45 | 39.4 Ų | 39.4 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -48.9 | -42.6 | -176.5 | -60.1 | 34.7 | 0 | 0 | 0 | 112.4 | D379 T380 R547 T560 C562 S565 | D377-D379 VanDerWaalsContact C-N 3.26Å; D377-D379 PolarHBondContact O-N 2.62Å; D377-T380 WeakPolarHBondContact O-CB 3.33Å; D377-T380 PolarHBondContact O-N 2.78Å; D377-T380 PolarHBondContact O-OG1 3.4Å; D377-R547 IonicContact OD2-NH1 3.65Å; D377-T560 HydrophobicContact CB-CG2 4.33Å; D377-C562 WeakPolarHBondContact CA-O 3.28Å; D377-S565 PolarHBondContact OD2-OG 3.25Å |
| 378 | G | 66.6 | Low | 80.9 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -68 | -12.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | E376 T380 S381 | E376-G378 PolarHBondContact O-N 3.27Å; E376-G378 VanDerWaalsContact O-N 3.08Å; G378-T380 VanDerWaalsContact C-N 3.32Å; G378-S381 PolarHBondContact O-OG 2.78Å; G378-S381 VanDerWaalsContact O-OG 3.14Å |
| 379 | D | 76.9 | Confident | 80.5 | Confident | 13 Ų | 13 | 44 Ų | 44 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -78.9 | -15 | 173.6 | -64.3 | -45.2 | 0 | 0 | 0 | 113.1 | V353 C375 E376 D377 S381 K382 F383 | V353-D379 HydrophobicContact CG1-CB 4.05Å; V353-D379 HydrophobicContact CG2-CB 4.18Å; V353-D379 WeakPolarHBondContact CG2-OD2 2.98Å; C375-D379 VanDerWaalsContact SG-CB 3.54Å; E376-D379 PolarHBondContact N-OD2 3.48Å; E376-D379 VanDerWaalsContact O-CB 3.28Å; E376-D379 WeakPolarHBondContact O-CB 3.18Å; E376-D379 PolarHBondContact O-N 2.83Å; D377-D379 VanDerWaalsContact C-N 3.26Å; D377-D379 PolarHBondContact O-N 2.62Å; D379-S381 PolarHBondContact O-N 2.97Å; D379-S381 VanDerWaalsContact O-N 3.14Å; D379-K382 HydrophobicContact CB-CD 4.41Å; D379-K382 WeakPolarHBondContact O-CA 3.24Å; D379-K382 WeakPolarHBondContact O-CB 3.39Å; D379-K382 PolarHBondContact O-N 2.93Å; D379-K382 WeakPolarHBondContact OD1-CD 3.38Å; D379-K382 WeakPolarHBondContact OD1-CE 3.26Å; D379-K382 IonicContact OD1-NZ 3.66Å; D379-K382 PolarHBondContact OD1-NZ 2.88Å; D379-F383 PolarHBondContact O-N 3.01Å; D379-F383 VanDerWaalsContact O-N 3.14Å |
| 380 | T | 75.7 | Confident | 80.5 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 17% | 0.172 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -47.4 | -43.1 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 112 | D377 G378 K382 F383 M384 I561 | D377-T380 WeakPolarHBondContact O-CB 3.33Å; D377-T380 PolarHBondContact O-N 2.78Å; D377-T380 PolarHBondContact O-OG1 3.4Å; G378-T380 VanDerWaalsContact C-N 3.32Å; T380-K382 PolarHBondContact O-N 2.66Å; T380-F383 PolarHBondContact O-N 2.79Å; T380-M384 WeakPolarHBondContact O-CG 3.31Å; T380-M384 PolarHBondContact O-N 2.02Å; T380-I561 HydrophobicContact CG2-CB 4.25Å; T380-I561 HydrophobicContact CG2-CD1 3.86Å; T380-I561 HydrophobicContact CG2-CG1 3.96Å; T380-I561 PolarHBondContact OG1-N 3.3Å |
| 381 | S | 75.7 | Confident | 80.4 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 53% | 0.531 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.7 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | G378 D379 M384 D385 | G378-S381 PolarHBondContact O-OG 2.78Å; G378-S381 VanDerWaalsContact O-OG 3.14Å; D379-S381 PolarHBondContact O-N 2.97Å; D379-S381 VanDerWaalsContact O-N 3.14Å; S381-M384 PolarHBondContact O-N 2.03Å; S381-D385 WeakPolarHBondContact O-CB 3.45Å; S381-D385 PolarHBondContact O-N 3.31Å |
| 382 | K | 84.3 | Confident | 80.5 | Confident | 103 Ų | 103 | 46.4 Ų | 46.4 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | -176.3 | -54.2 | 166.6 | -161.9 | 163.4 | 0 | 111.2 | V353 L356 D379 T380 A386 | V353-K382 HydrophobicContact CG1-CB 4.23Å; V353-K382 HydrophobicContact CG1-CD 3.78Å; L356-K382 HydrophobicContact CD1-CB 4.09Å; D379-K382 HydrophobicContact CB-CD 4.41Å; D379-K382 WeakPolarHBondContact O-CA 3.24Å; D379-K382 WeakPolarHBondContact O-CB 3.39Å; D379-K382 PolarHBondContact O-N 2.93Å; D379-K382 WeakPolarHBondContact OD1-CD 3.38Å; D379-K382 WeakPolarHBondContact OD1-CE 3.26Å; D379-K382 IonicContact OD1-NZ 3.66Å; D379-K382 PolarHBondContact OD1-NZ 2.88Å; T380-K382 PolarHBondContact O-N 2.66Å; K382-A386 WeakPolarHBondContact O-CB 3.31Å; K382-A386 PolarHBondContact O-N 3.24Å; K382-A386 VanDerWaalsContact O-N 3.09Å |
| 383 | F | 88.4 | Confident | 81 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 172.3 | -89.9 | -91 | 0 | 0 | 0 | 112.2 | L356 I372 C375 D379 T380 A386 F387 L405 F410 I561 | L356-F383 HydrophobicContact CD1-CD1 4.41Å; L356-F383 HydrophobicContact CD1-CD2 3.79Å; L356-F383 HydrophobicContact CD1-CE2 3.88Å; L356-F383 HydrophobicContact CD1-CG 4.06Å; L356-F383 HydrophobicContact CD1-CZ 4.23Å; L356-F383 HydrophobicContact CD2-CD1 3.92Å; L356-F383 HydrophobicContact CD2-CE1 3.77Å; L356-F383 HydrophobicContact CD2-CG 4.38Å; L356-F383 HydrophobicContact CD2-CZ 4.08Å; I372-F383 HydrophobicContact CD1-CE2 4.04Å; I372-F383 HydrophobicContact CD1-CZ 3.73Å; I372-F383 HydrophobicContact CG2-CZ 4.22Å; C375-F383 VanDerWaalsContact SG-CE2 3.59Å; D379-F383 PolarHBondContact O-N 3.01Å; D379-F383 VanDerWaalsContact O-N 3.14Å; T380-F383 PolarHBondContact O-N 2.79Å; F383-A386 PolarHBondContact O-N 3Å; F383-F387 HydrophobicContact CD1-CE2 4.37Å; F383-F387 PolarHBondContact O-N 3.17Å; F383-L405 HydrophobicContact CE1-CD2 4.36Å; F383-L405 HydrophobicContact CZ-CD2 4.21Å; F383-F410 HydrophobicContact CB-CB 4.14Å; F383-F410 HydrophobicContact CB-CD1 4.32Å; F383-F410 HydrophobicContact CB-CG 4.21Å; F383-F410 AromaticContact CD1-CD1 3.9Å; F383-F410 HydrophobicContact CD1-CD1 3.9Å; F383-F410 HydrophobicContact CD1-CD2 4.05Å; F383-F410 AromaticContact CD1-CE1 3.85Å; F383-F410 HydrophobicContact CD1-CE1 3.85Å; F383-F410 HydrophobicContact CD1-CE2 4.01Å; F383-F410 AromaticContact CD1-CG 4Å; F383-F410 HydrophobicContact CD1-CG 4Å; F383-F410 AromaticContact CD1-CZ 3.91Å; F383-F410 HydrophobicContact CD1-CZ 3.91Å; F383-F410 HydrophobicContact CE1-CE1 4.26Å; F383-F410 HydrophobicContact CE1-CE2 4.4Å; F383-F410 HydrophobicContact CE1-CZ 4.09Å; F383-F410 HydrophobicContact CG-CD1 4.44Å; F383-I561 HydrophobicContact CB-CD1 4.05Å; F383-I561 HydrophobicContact CB-CG2 4.42Å; F383-I561 HydrophobicContact CG-CG2 4.28Å |
| 384 | M | 84.5 | Confident | 81.8 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -38.3 | -179.6 | -67.7 | -70.5 | -78.2 | 0 | 0 | 112.8 | T380 S381 S388 F410 I561 | T380-M384 WeakPolarHBondContact O-CG 3.31Å; T380-M384 PolarHBondContact O-N 2.02Å; S381-M384 PolarHBondContact O-N 2.03Å; M384-S388 PolarHBondContact O-N 2.78Å; M384-F410 HydrophobicContact SD-CB 4Å; M384-I561 HydrophobicContact CG-CD1 3.84Å; M384-I561 HydrophobicContact SD-CD1 3.98Å |
| 385 | D | 83.7 | Confident | 82.4 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.6 | -36.1 | 175 | 166.6 | 73.3 | 0 | 0 | 0 | 113.3 | R360 S381 S388 | R360-D385 IonicContact CZ-OD1 2.98Å; R360-D385 VanDerWaalsContact CZ-OD1 3.3Å; R360-D385 IonicContact CZ-OD2 3.27Å; R360-D385 VanDerWaalsContact NE-CG 3.32Å; R360-D385 IonicContact NE-OD1 3.27Å; R360-D385 PolarHBondContact NE-OD1 3.43Å; R360-D385 VanDerWaalsContact NE-OD1 3.11Å; R360-D385 IonicContact NE-OD2 2.67Å; R360-D385 PolarHBondContact NE-OD2 2.82Å; R360-D385 VanDerWaalsContact NH2-CG 3.28Å; R360-D385 IonicContact NH2-OD1 3.85Å; R360-D385 PolarHBondContact NH2-OD1 3.22Å; R360-D385 IonicContact NH2-OD2 3.76Å; R360-D385 PolarHBondContact NH2-OD2 3.36Å; R360-D385 VanDerWaalsContact NH2-OD2 3.15Å; S381-D385 WeakPolarHBondContact O-CB 3.45Å; S381-D385 PolarHBondContact O-N 3.31Å; D385-S388 PolarHBondContact O-OG 2.87Å |
| 386 | A | 87.3 | Confident | 83.3 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.2 | -30.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L356 V359 R360 K382 F383 | L356-A386 HydrophobicContact CB-CB 3.69Å; L356-A386 HydrophobicContact CD2-CB 4.21Å; L356-A386 HydrophobicContact CG-CB 4.37Å; V359-A386 CarbonylContact C-O 3.54Å; V359-A386 VanDerWaalsContact CB-O 3.32Å; V359-A386 WeakPolarHBondContact CB-O 3.23Å; V359-A386 WeakPolarHBondContact CG1-O 3.45Å; R360-A386 PolarHBondContact N-O 2.79Å; K382-A386 WeakPolarHBondContact O-CB 3.31Å; K382-A386 PolarHBondContact O-N 3.24Å; K382-A386 VanDerWaalsContact O-N 3.09Å; F383-A386 PolarHBondContact O-N 3Å |
| 387 | F | 91.1 | Very high | 84.5 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -104.4 | 3.7 | -175.9 | -77.4 | -91.4 | 0 | 0 | 0 | 114.2 | L356 V359 I368 I370 F383 D389 L390 F410 L411 | L356-F387 HydrophobicContact CD2-CD2 4.35Å; L356-F387 HydrophobicContact CD2-CE2 3.69Å; V359-F387 HydrophobicContact CG1-CD1 3.72Å; V359-F387 HydrophobicContact CG1-CE1 3.88Å; V359-F387 HydrophobicContact CG1-CG 4.06Å; V359-F387 HydrophobicContact CG1-CZ 4.35Å; V359-F387 HydrophobicContact CG2-CE1 4.03Å; V359-F387 HydrophobicContact CG2-CE2 4.11Å; V359-F387 HydrophobicContact CG2-CZ 3.77Å; I368-F387 HydrophobicContact CD1-CE1 4.29Å; I370-F387 HydrophobicContact CD1-CE1 4.4Å; I370-F387 HydrophobicContact CD1-CE2 4.42Å; I370-F387 HydrophobicContact CD1-CZ 3.73Å; F383-F387 HydrophobicContact CD1-CE2 4.37Å; F383-F387 PolarHBondContact O-N 3.17Å; F387-D389 PolarHBondContact O-N 3.03Å; F387-D389 VanDerWaalsContact O-N 3.14Å; F387-L390 HydrophobicContact CD1-CD2 3.91Å; F387-L390 HydrophobicContact CE1-CD2 4.21Å; F387-L390 PolarHBondContact O-N 2.87Å; F387-F410 HydrophobicContact CB-CD2 4.18Å; F387-F410 WeakPolarHBondContact CB-O 3.47Å; F387-F410 HydrophobicContact CD1-CD2 4.27Å; F387-F410 AromaticContact CD2-CD2 3.5Å; F387-F410 HydrophobicContact CD2-CD2 3.5Å; F387-F410 VanDerWaalsContact CD2-CD2 3.5Å; F387-F410 AromaticContact CD2-CE2 3.94Å; F387-F410 HydrophobicContact CD2-CE2 3.94Å; F387-F410 HydrophobicContact CD2-CG 4.47Å; F387-F410 HydrophobicContact CE1-CE2 4.38Å; F387-F410 AromaticContact CE2-CD2 3.83Å; F387-F410 HydrophobicContact CE2-CD2 3.83Å; F387-F410 AromaticContact CE2-CE2 3.75Å; F387-F410 HydrophobicContact CE2-CE2 3.75Å; F387-F410 AromaticContact CG-CD2 3.74Å; F387-F410 HydrophobicContact CG-CD2 3.74Å; F387-F410 HydrophobicContact CG-CE2 4.32Å; F387-F410 HydrophobicContact CZ-CD2 4.36Å; F387-F410 HydrophobicContact CZ-CE2 4Å; F387-L411 HydrophobicContact CD1-CD2 3.6Å; F387-L411 HydrophobicContact CE1-CD2 3.76Å; F387-L411 HydrophobicContact CG-CD2 4.31Å |
| 388 | S | 86.3 | Confident | 86 | Confident | 43 Ų | 43 | 32.7 Ų | 32.7 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -37.8 | -173.9 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | M384 D385 S413 | M384-S388 PolarHBondContact O-N 2.78Å; D385-S388 PolarHBondContact O-OG 2.87Å; S388-S413 VanDerWaalsContact O-CB 3.25Å; S388-S413 WeakPolarHBondContact O-CB 3.22Å; S388-S413 PolarHBondContact O-OG 2.64Å |
| 389 | D | 85.4 | Confident | 87.3 | Confident | 71 Ų | 71 | 30.1 Ų | 30.1 | 38% | 0.38 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -7.7 | -166.6 | -44.4 | -28.1 | 0 | 0 | 0 | 113.1 | G361 C362 V363 F387 E391 | G361-D389 VanDerWaalsContact CA-OD2 3.31Å; G361-D389 WeakPolarHBondContact CA-OD2 3.47Å; G361-D389 PolarHBondContact N-OD2 3.36Å; C362-D389 CarbonylContact O-C 3.59Å; V363-D389 WeakPolarHBondContact CA-O 3.05Å; V363-D389 HydrophobicContact CG2-CB 4.23Å; V363-D389 WeakPolarHBondContact CG2-O 3.48Å; F387-D389 PolarHBondContact O-N 3.03Å; F387-D389 VanDerWaalsContact O-N 3.14Å; D389-E391 PolarHBondContact O-N 3.01Å |
| 390 | L | 90.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | trans | -78.6 | 102.7 | -168.8 | -176.7 | 76.6 | 0 | 0 | 0 | 111.7 | C362 A365 I368 F387 I393 S413 L414 | C362-L390 HydrophobicContact CB-CD1 4.38Å; C362-L390 VanDerWaalsContact O-CA 3.31Å; C362-L390 WeakPolarHBondContact O-CA 3.25Å; C362-L390 PolarHBondContact O-N 3.23Å; A365-L390 HydrophobicContact CB-CD1 4.08Å; I368-L390 HydrophobicContact CD1-CD1 4.38Å; I368-L390 HydrophobicContact CD1-CD2 3.38Å; F387-L390 HydrophobicContact CD1-CD2 3.91Å; F387-L390 HydrophobicContact CE1-CD2 4.21Å; F387-L390 PolarHBondContact O-N 2.87Å; L390-I393 HydrophobicContact CD2-CD1 4.4Å; L390-I393 HydrophobicContact CD2-CG1 4.43Å; L390-S413 CarbonylContact O-C 3.49Å; L390-L414 HydrophobicContact CD2-CD1 4.42Å; L390-L414 HydrophobicContact CG-CD1 4.43Å; L390-L414 WeakPolarHBondContact O-CA 3.47Å; L390-L414 PolarHBondContact O-N 2.81Å | ||
| 391 | E | 90.9 | Very high | 88.3 | Confident | 45 Ų | 45 | 31.3 Ų | 31.3 | 21% | 0.21 | 17% | 0.168 | C | C | . | . | trans | -93.9 | -31 | 179.5 | -67.2 | -174.8 | -105.8 | 0 | 0 | 114 | K342 V363 D389 R415 I416 | K342-E391 IonicContact NZ-OE1 2.64Å; K342-E391 PolarHBondContact NZ-OE1 2.89Å; V363-E391 HydrophobicContact CG1-CB 3.87Å; V363-E391 HydrophobicContact CG1-CG 3.95Å; V363-E391 PolarHBondContact O-N 3.45Å; D389-E391 PolarHBondContact O-N 3.01Å; E391-R415 WeakPolarHBondContact O-CA 3.28Å; E391-R415 PolarHBondContact O-N 3.44Å; E391-R415 WeakPolarHBondContact OE2-CD 3.26Å; E391-R415 IonicContact OE2-CZ 3.5Å; E391-R415 IonicContact OE2-NH1 2.75Å; E391-R415 PolarHBondContact OE2-NH1 3.15Å; E391-I416 PolarHBondContact O-N 2.83Å; E391-I416 VanDerWaalsContact O-N 3.14Å | ||
| 392 | E | 91.4 | Very high | 88.9 | Confident | 54 Ų | 54 | 27.7 Ų | 27.7 | 25% | 0.252 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.5 | -173.6 | -48.7 | -169.4 | 169.1 | 0 | 0 | 115.7 | V363 T364 A365 I416 H418 | V363-E392 PolarHBondContact O-N 3.07Å; T364-E392 CarbonylContact C-O 3.6Å; T364-E392 VanDerWaalsContact CA-O 3.25Å; T364-E392 WeakPolarHBondContact CA-O 3.39Å; T364-E392 HydrophobicContact CG2-CB 3.93Å; T364-E392 HydrophobicContact CG2-CG 4.26Å; A365-E392 PolarHBondContact N-O 3.37Å; E392-I416 CarbonylContact C-O 3.51Å; E392-I416 WeakPolarHBondContact CA-O 3.09Å; E392-I416 HydrophobicContact CB-CB 4.49Å; E392-I416 HydrophobicContact CG-CB 4.15Å; E392-H418 IonicContact OE2-CD2 3.75Å; E392-H418 IonicContact OE2-CE1 2.81Å; E392-H418 PolarHBondContact OE2-CE1 2.92Å; E392-H418 IonicContact OE2-NE2 3.81Å; E392-H418 PolarHBondContact OE2-NE2 2.97Å |
| 393 | I | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.4 | 169.6 | -62.1 | 169.3 | 0 | 0 | 0 | 109.2 | A365 I368 L390 S396 L397 L414 I416 I417 H418 | A365-I393 HydrophobicContact CB-CG1 4.44Å; A365-I393 CarbonylContact O-C 3.33Å; A365-I393 WeakPolarHBondContact O-CA 3.08Å; I368-I393 HydrophobicContact CB-CD1 4.4Å; I368-I393 HydrophobicContact CD1-CD1 3.78Å; I368-I393 HydrophobicContact CD1-CG1 4.08Å; I368-I393 HydrophobicContact CG1-CD1 4.01Å; I368-I393 HydrophobicContact CG1-CG1 4.29Å; L390-I393 HydrophobicContact CD2-CD1 4.4Å; L390-I393 HydrophobicContact CD2-CG1 4.43Å; I393-S396 WeakPolarHBondContact CG2-O 3.33Å; I393-L397 HydrophobicContact CD1-CB 3.9Å; I393-L397 HydrophobicContact CD1-CD1 4.22Å; I393-L397 HydrophobicContact CD1-CD2 4.2Å; I393-L397 HydrophobicContact CD1-CG 4.33Å; I393-L414 HydrophobicContact CD1-CD1 3.82Å; I393-L414 HydrophobicContact CD1-CD2 3.88Å; I393-L414 HydrophobicContact CG1-CD1 3.77Å; I393-I416 PolarHBondContact N-O 3.38Å; I393-I417 HydrophobicContact CB-CG1 4.5Å; I393-I417 HydrophobicContact CB-CG2 4.27Å; I393-I417 HydrophobicContact CG2-CG2 4.34Å; I393-I417 CarbonylContact O-C 3.51Å; I393-I417 VanDerWaalsContact O-CA 3.25Å; I393-I417 WeakPolarHBondContact O-CA 3.23Å; I393-H418 PolarHBondContact O-CD2 3.44Å; I393-H418 PolarHBondContact O-N 2.81Å |
| 394 | H | 88.5 | Confident | 88.3 | Confident | 23 Ų | 23 | 25.7 Ų | 25.7 | 11% | 0.106 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -58.4 | -176.2 | -65.6 | -67.2 | 0 | 0 | 0 | 112.6 | T364 A365 H418 G419 L420 R422 | T364-H394 PolarHBondContact OG1-NE2 3.28Å; A365-H394 PolarHBondContact O-CD2 3.49Å; A365-H394 VanDerWaalsContact O-CD2 3.22Å; A365-H394 PolarHBondContact O-N 3.3Å; H394-H418 AromaticContact ND1-CD2 3.61Å; H394-H418 AromaticContact ND1-NE2 3.9Å; H394-H418 CarbonylContact O-C 3.45Å; H394-H418 WeakPolarHBondContact O-CA 3.38Å; H394-H418 WeakPolarHBondContact O-CB 3.1Å; H394-H418 PolarHBondContact O-N 2.56Å; H394-G419 PolarHBondContact O-N 3.16Å; H394-L420 CarbonylContact C-O 3.5Å; H394-L420 WeakPolarHBondContact CB-O 3.47Å; H394-L420 PolarHBondContact O-N 3.29Å; H394-R422 HydrophobicContact CB-CG 4.47Å; H394-R422 PolarHBondContact CD2-NE 3.02Å; H394-R422 PolarHBondContact CD2-NH2 3.27Å; H394-R422 PolarHBondContact NE2-NE 2.93Å; H394-R422 PolarHBondContact NE2-NH2 3.43Å |
| 395 | T | 86.7 | Confident | 88.4 | Confident | 10 Ų | 10 | 23.1 Ų | 23.1 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -62.8 | -173.1 | 56.8 | 0 | 0 | 0 | 0 | 115.1 | Q366 S367 G419 L420 K421 P427 V434 | Q366-T395 VanDerWaalsContact NE2-CG2 3.32Å; Q366-T395 WeakPolarHBondContact O-CB 3.29Å; Q366-T395 PolarHBondContact O-N 3.12Å; Q366-T395 PolarHBondContact O-OG1 2.94Å; S367-T395 WeakPolarHBondContact CB-OG1 3.29Å; T395-G419 WeakPolarHBondContact O-CA 3.3Å; T395-L420 VanDerWaalsContact CG2-O 3.28Å; T395-L420 WeakPolarHBondContact CG2-O 3.46Å; T395-K421 HydrophobicContact CG2-CB 4.39Å; T395-K421 HydrophobicContact CG2-CG 3.85Å; T395-P427 HydrophobicContact CG2-CG 4.42Å; T395-V434 WeakPolarHBondContact O-CG1 3.23Å; T395-V434 WeakPolarHBondContact O-CG2 3.17Å |
| 396 | S | 89.9 | Confident | 88.5 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 153.9 | -176.3 | 56.4 | 0 | 0 | 0 | 0 | 115 | S367 I368 I393 H398 V434 | S367-S396 CarbonylContact C-O 3.59Å; S367-S396 VanDerWaalsContact CA-O 3.27Å; S367-S396 WeakPolarHBondContact CA-O 3.48Å; S367-S396 WeakPolarHBondContact CB-O 3.28Å; I368-S396 PolarHBondContact N-O 3.12Å; I393-S396 WeakPolarHBondContact CG2-O 3.33Å; S396-H398 VanDerWaalsContact CB-NE2 3.29Å; S396-H398 WeakPolarHBondContact CB-NE2 3.38Å; S396-H398 PolarHBondContact OG-CD2 2.94Å; S396-H398 PolarHBondContact OG-NE2 3.1Å; S396-V434 CarbonylContact C-O 3.48Å; S396-V434 WeakPolarHBondContact CA-O 3.38Å; S396-V434 WeakPolarHBondContact CB-O 3.48Å |
| 397 | L | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.1 | 172.1 | 173 | 59.4 | 0 | 0 | 0 | 109.2 | I368 I393 I399 L411 L414 I417 V434 L435 E436 W447 | I368-L397 HydrophobicContact CB-CD1 3.81Å; I368-L397 HydrophobicContact CG2-CD1 3.91Å; I368-L397 CarbonylContact O-C 3.53Å; I368-L397 WeakPolarHBondContact O-CA 3.42Å; I393-L397 HydrophobicContact CD1-CB 3.9Å; I393-L397 HydrophobicContact CD1-CD1 4.22Å; I393-L397 HydrophobicContact CD1-CD2 4.2Å; I393-L397 HydrophobicContact CD1-CG 4.33Å; L397-I399 HydrophobicContact CD1-CD1 4.26Å; L397-I399 HydrophobicContact CD1-CG1 4.06Å; L397-I399 HydrophobicContact CD2-CD1 4.42Å; L397-I399 HydrophobicContact CG-CD1 4.37Å; L397-I399 HydrophobicContact CG-CG1 4.35Å; L397-L411 HydrophobicContact CD2-CD1 4.1Å; L397-L414 HydrophobicContact CD2-CD2 3.89Å; L397-I417 HydrophobicContact CB-CD1 4.18Å; L397-I417 HydrophobicContact CD2-CD1 4.45Å; L397-V434 PolarHBondContact N-O 3.2Å; L397-L435 HydrophobicContact CB-CD1 4.07Å; L397-L435 HydrophobicContact CD2-CD1 3.8Å; L397-L435 HydrophobicContact CG-CD1 3.94Å; L397-L435 CarbonylContact O-C 3.49Å; L397-L435 WeakPolarHBondContact O-CA 3.07Å; L397-E436 PolarHBondContact O-N 2.99Å; L397-W447 HydrophobicContact CD2-CH2 4.3Å |
| 398 | H | 93.7 | Very high | 88.6 | Confident | 34 Ų | 34 | 20.7 Ų | 20.7 | 16% | 0.157 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.9 | 178.5 | -57.7 | -99.1 | 0 | 0 | 0 | 109.5 | I368 L369 I370 S396 I400 E436 | I368-H398 PolarHBondContact O-N 2.96Å; L369-H398 CarbonylContact C-O 3.55Å; L369-H398 VanDerWaalsContact CA-O 3.31Å; L369-H398 WeakPolarHBondContact CA-O 3.46Å; L369-H398 HydrophobicContact CD1-CB 3.75Å; I370-H398 PolarHBondContact N-O 2.92Å; S396-H398 VanDerWaalsContact CB-NE2 3.29Å; S396-H398 WeakPolarHBondContact CB-NE2 3.38Å; S396-H398 PolarHBondContact OG-CD2 2.94Å; S396-H398 PolarHBondContact OG-NE2 3.1Å; H398-I400 HydrophobicContact CB-CG2 4.42Å; H398-E436 CarbonylContact C-O 3.51Å; H398-E436 WeakPolarHBondContact CA-O 3.3Å; H398-E436 HydrophobicContact CB-CB 4.41Å; H398-E436 IonicContact CE1-OE2 3.97Å; H398-E436 PolarHBondContact CE1-OE2 2.59Å; H398-E436 IonicContact CG-OE2 1.75Å; H398-E436 WeakPolarHBondContact ND1-CB 3.09Å; H398-E436 IonicContact ND1-OE2 3.94Å; H398-E436 PolarHBondContact ND1-OE2 3.46Å |
| 399 | I | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 97.2 | 177.8 | -54.2 | 173.2 | 0 | 0 | 0 | 106.1 | I370 L397 L405 L408 L411 E436 I437 A438 N440 | I370-I399 HydrophobicContact CB-CG1 4.3Å; I370-I399 HydrophobicContact CB-CG2 4.29Å; I370-I399 HydrophobicContact CD1-CD1 4.48Å; I370-I399 HydrophobicContact CD1-CG1 4.26Å; I370-I399 HydrophobicContact CG1-CG1 4.43Å; I370-I399 CarbonylContact O-C 3.59Å; I370-I399 WeakPolarHBondContact O-CA 3.48Å; L397-I399 HydrophobicContact CD1-CD1 4.26Å; L397-I399 HydrophobicContact CD1-CG1 4.06Å; L397-I399 HydrophobicContact CD2-CD1 4.42Å; L397-I399 HydrophobicContact CG-CD1 4.37Å; L397-I399 HydrophobicContact CG-CG1 4.35Å; I399-L405 HydrophobicContact CG2-CD1 4.41Å; I399-L408 HydrophobicContact CD1-CD1 3.67Å; I399-L408 HydrophobicContact CD1-CD2 4.09Å; I399-L408 HydrophobicContact CD1-CG 4.47Å; I399-L408 HydrophobicContact CG2-CD2 4.09Å; I399-L411 HydrophobicContact CD1-CD1 3.68Å; I399-E436 PolarHBondContact N-O 2.88Å; I399-I437 HydrophobicContact CB-CG1 4.34Å; I399-I437 HydrophobicContact CD1-CD1 4.47Å; I399-I437 HydrophobicContact CD1-CG1 4.37Å; I399-I437 WeakPolarHBondContact O-CA 3.33Å; I399-A438 PolarHBondContact O-N 2.98Å; I399-N440 PolarHBondContact O-ND2 3.03Å; I399-N440 PolarHBondContact O-OD1 2.78Å |
| 400 | I | 88.2 | Confident | 88.9 | Confident | 36 Ų | 36 | 17.4 Ų | 17.4 | 19% | 0.185 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.4 | -163.8 | 67.9 | 178.5 | 0 | 0 | 0 | 112.8 | L369 I370 S371 H398 S402 E436 A438 W439 | L369-I400 HydrophobicContact CD1-CD1 3.74Å; L369-I400 HydrophobicContact CD1-CG1 3.74Å; I370-I400 PolarHBondContact O-N 3.13Å; S371-I400 VanDerWaalsContact CA-O 3.25Å; S371-I400 WeakPolarHBondContact CA-O 3.48Å; S371-I400 VanDerWaalsContact CB-O 3.23Å; S371-I400 WeakPolarHBondContact CB-O 3.33Å; S371-I400 PolarHBondContact OG-O 2.84Å; H398-I400 HydrophobicContact CB-CG2 4.42Å; I400-S402 PolarHBondContact O-N 3.41Å; I400-S402 VanDerWaalsContact O-N 3.12Å; I400-E436 HydrophobicContact CG2-CG 4.11Å; I400-A438 CarbonylContact C-O 3.43Å; I400-A438 WeakPolarHBondContact CA-O 3.3Å; I400-A438 HydrophobicContact CG2-CB 4Å; I400-W439 HydrophobicContact CB-CE3 4.09Å; I400-W439 HydrophobicContact CB-CZ3 4.26Å; I400-W439 HydrophobicContact CG2-CZ3 4.42Å |
| 401 | S | 86.3 | Confident | 89 | Confident | 29 Ų | 29 | 17.4 Ų | 17.4 | 20% | 0.203 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 52.2 | 31.6 | 179.9 | -51.9 | 0 | 0 | 0 | 0 | 114.4 | D403 A438 W439 N440 | S401-D403 VanDerWaalsContact C-N 3.28Å; S401-D403 PolarHBondContact O-N 3.22Å; S401-D403 VanDerWaalsContact O-N 3.14Å; S401-A438 PolarHBondContact N-O 2.91Å; S401-W439 WeakPolarHBondContact CA-O 3.5Å; S401-N440 PolarHBondContact N-OD1 2.88Å |
| 402 | S | 87.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -88.4 | 65.3 | 179.8 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | I370 S371 I372 I400 S404 L405 N440 | I370-S402 PolarHBondContact O-OG 2.69Å; S371-S402 WeakPolarHBondContact CA-OG 3.19Å; I372-S402 PolarHBondContact N-OG 3.49Å; I372-S402 VanDerWaalsContact N-OG 3.08Å; I372-S402 CarbonylContact O-C 3.6Å; I372-S402 WeakPolarHBondContact O-CA 3.45Å; I400-S402 PolarHBondContact O-N 3.41Å; I400-S402 VanDerWaalsContact O-N 3.12Å; S402-S404 PolarHBondContact O-N 2.97Å; S402-L405 PolarHBondContact O-N 2.7Å; S402-N440 VanDerWaalsContact CB-OD1 3.31Å; S402-N440 WeakPolarHBondContact CB-OD1 3.37Å; S402-N440 PolarHBondContact N-OD1 3Å | ||
| 403 | D | 78.6 | Confident | 88.7 | Confident | 57 Ų | 57 | 19.4 Ų | 19.4 | 31% | 0.305 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10.1 | -167.3 | -70.8 | -53.3 | 0 | 0 | 0 | 115.8 | S401 S441 Q442 | S401-D403 VanDerWaalsContact C-N 3.28Å; S401-D403 PolarHBondContact O-N 3.22Å; S401-D403 VanDerWaalsContact O-N 3.14Å; D403-S441 VanDerWaalsContact OD1-CB 3.23Å; D403-S441 WeakPolarHBondContact OD1-CB 3.06Å; D403-S441 PolarHBondContact OD1-N 2.8Å; D403-S441 VanDerWaalsContact OD1-N 3.15Å; D403-S441 PolarHBondContact OD1-OG 3.26Å; D403-Q442 WeakPolarHBondContact O-CB 3.41Å; D403-Q442 WeakPolarHBondContact O-CG 3.47Å |
| 404 | S | 81.6 | Confident | 88.8 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -13 | 171.2 | -70.9 | 0 | 0 | 0 | 0 | 114.6 | R373 S402 C562 K564 | R373-S404 WeakPolarHBondContact O-CB 3.23Å; R373-S404 PolarHBondContact O-OG 2.94Å; S402-S404 PolarHBondContact O-N 2.97Å; S404-C562 WeakPolarHBondContact O-CA 3.35Å; S404-K564 WeakPolarHBondContact OG-CE 3.26Å; S404-K564 PolarHBondContact OG-NZ 3.08Å |
| 405 | L | 86.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -80.7 | 121.6 | -178 | -65.7 | -177.8 | 0 | 0 | 0 | 111.3 | I370 I372 F383 I399 S402 L408 F410 Q442 L443 I561 | I370-L405 HydrophobicContact CG2-CD1 4.21Å; I372-L405 HydrophobicContact CG2-CD1 3.83Å; I372-L405 HydrophobicContact CG2-CD2 4Å; I372-L405 HydrophobicContact CG2-CG 3.75Å; F383-L405 HydrophobicContact CE1-CD2 4.36Å; F383-L405 HydrophobicContact CZ-CD2 4.21Å; I399-L405 HydrophobicContact CG2-CD1 4.41Å; S402-L405 PolarHBondContact O-N 2.7Å; L405-L408 HydrophobicContact CD1-CD2 4.16Å; L405-F410 HydrophobicContact CD1-CE1 4.46Å; L405-F410 HydrophobicContact CD1-CZ 4.44Å; L405-Q442 CarbonylContact O-C 3.56Å; L405-L443 VanDerWaalsContact O-CA 3.26Å; L405-L443 WeakPolarHBondContact O-CA 3.27Å; L405-L443 PolarHBondContact O-N 2.9Å; L405-I561 CarbonylContact C-O 3.37Å; L405-I561 WeakPolarHBondContact CA-O 3.36Å; L405-I561 HydrophobicContact CD2-CG2 3.9Å |
| 406 | Q | 85.8 | Confident | 89.1 | Confident | 23 Ų | 23 | 23.6 Ų | 23.6 | 11% | 0.107 | 12% | 0.115 | C | C | . | . | trans | -97.3 | -22.8 | 172.6 | -57 | -150.4 | 16.5 | 0 | 0 | 113.1 | Q442 K444 S445 I561 D563 | Q406-Q442 WeakPolarHBondContact CA-O 3.32Å; Q406-Q442 HydrophobicContact CG-CB 4.21Å; Q406-K444 PolarHBondContact O-N 3.33Å; Q406-K444 VanDerWaalsContact OE1-CE 3.28Å; Q406-S445 PolarHBondContact O-N 3.49Å; Q406-S445 PolarHBondContact O-OG 3.09Å; Q406-I561 PolarHBondContact N-O 3.1Å; Q406-D563 PolarHBondContact NE2-O 2.64Å | ||
| 407 | S | 88.3 | Confident | 89.3 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -141.1 | 147.3 | -180 | -165.4 | 0 | 0 | 0 | 0 | 113.1 | T409 S445 I561 | S407-T409 VanDerWaalsContact OG-CG2 3.26Å; S407-T409 WeakPolarHBondContact OG-CG2 3.23Å; S407-T409 PolarHBondContact OG-N 2.91Å; S407-T409 PolarHBondContact OG-OG1 2.93Å; S407-T409 VanDerWaalsContact OG-OG1 3.11Å; S407-S445 WeakPolarHBondContact CA-OG 3.45Å; S407-S445 WeakPolarHBondContact CB-OG 3.17Å; S407-S445 PolarHBondContact OG-OG 3.24Å; S407-I561 PolarHBondContact N-O 2.79Å |
| 408 | L | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -102.4 | 12.2 | 172.7 | -59 | -173.4 | 0 | 0 | 0 | 113.9 | I399 L405 F410 L411 I437 L443 S445 L446 W447 | I399-L408 HydrophobicContact CD1-CD1 3.67Å; I399-L408 HydrophobicContact CD1-CD2 4.09Å; I399-L408 HydrophobicContact CD1-CG 4.47Å; I399-L408 HydrophobicContact CG2-CD2 4.09Å; L405-L408 HydrophobicContact CD1-CD2 4.16Å; L408-F410 HydrophobicContact CD2-CE1 4.05Å; L408-F410 HydrophobicContact CD2-CZ 4.11Å; L408-F410 PolarHBondContact O-N 3.29Å; L408-L411 HydrophobicContact CB-CD1 4.37Å; L408-L411 WeakPolarHBondContact O-CB 3.44Å; L408-L411 PolarHBondContact O-N 3.32Å; L408-I437 HydrophobicContact CD1-CD1 3.69Å; L408-I437 HydrophobicContact CD1-CG1 4.45Å; L408-I437 HydrophobicContact CD1-CG2 4.45Å; L408-L443 HydrophobicContact CD1-CD2 4.15Å; L408-L443 HydrophobicContact CD2-CD1 3.96Å; L408-L443 HydrophobicContact CG-CD1 3.78Å; L408-L443 HydrophobicContact CG-CD2 4.25Å; L408-S445 PolarHBondContact N-O 2.99Å; L408-L446 HydrophobicContact CD1-CD2 3.88Å; L408-W447 HydrophobicContact CB-CE3 3.82Å; L408-W447 HydrophobicContact CB-CZ3 4.36Å; L408-W447 HydrophobicContact CD1-CE3 4.15Å; L408-W447 HydrophobicContact CD1-CZ3 3.89Å | ||
| 409 | T | 89.2 | Confident | 88.5 | Confident | 42 Ų | 42 | 23.7 Ų | 23.7 | 26% | 0.258 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -53.7 | -20.5 | -175.1 | 41.3 | 0 | 0 | 0 | 0 | 115.6 | S407 L411 R412 | S407-T409 VanDerWaalsContact OG-CG2 3.26Å; S407-T409 WeakPolarHBondContact OG-CG2 3.23Å; S407-T409 PolarHBondContact OG-N 2.91Å; S407-T409 PolarHBondContact OG-OG1 2.93Å; S407-T409 VanDerWaalsContact OG-OG1 3.11Å; T409-L411 PolarHBondContact O-N 3.08Å; T409-R412 WeakPolarHBondContact O-CB 3.22Å; T409-R412 PolarHBondContact O-N 2.67Å |
| 410 | F | 89.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -62 | -20.3 | 171.5 | 60.7 | -91.5 | 0 | 0 | 0 | 114.3 | I370 F383 M384 F387 L405 L408 R412 I561 | I370-F410 HydrophobicContact CD1-CE2 3.76Å; I370-F410 HydrophobicContact CD1-CZ 3.92Å; F383-F410 HydrophobicContact CB-CB 4.14Å; F383-F410 HydrophobicContact CB-CD1 4.32Å; F383-F410 HydrophobicContact CB-CG 4.21Å; F383-F410 AromaticContact CD1-CD1 3.9Å; F383-F410 HydrophobicContact CD1-CD1 3.9Å; F383-F410 HydrophobicContact CD1-CD2 4.05Å; F383-F410 AromaticContact CD1-CE1 3.85Å; F383-F410 HydrophobicContact CD1-CE1 3.85Å; F383-F410 HydrophobicContact CD1-CE2 4.01Å; F383-F410 AromaticContact CD1-CG 4Å; F383-F410 HydrophobicContact CD1-CG 4Å; F383-F410 AromaticContact CD1-CZ 3.91Å; F383-F410 HydrophobicContact CD1-CZ 3.91Å; F383-F410 HydrophobicContact CE1-CE1 4.26Å; F383-F410 HydrophobicContact CE1-CE2 4.4Å; F383-F410 HydrophobicContact CE1-CZ 4.09Å; F383-F410 HydrophobicContact CG-CD1 4.44Å; M384-F410 HydrophobicContact SD-CB 4Å; F387-F410 HydrophobicContact CB-CD2 4.18Å; F387-F410 WeakPolarHBondContact CB-O 3.47Å; F387-F410 HydrophobicContact CD1-CD2 4.27Å; F387-F410 AromaticContact CD2-CD2 3.5Å; F387-F410 HydrophobicContact CD2-CD2 3.5Å; F387-F410 VanDerWaalsContact CD2-CD2 3.5Å; F387-F410 AromaticContact CD2-CE2 3.94Å; F387-F410 HydrophobicContact CD2-CE2 3.94Å; F387-F410 HydrophobicContact CD2-CG 4.47Å; F387-F410 HydrophobicContact CE1-CE2 4.38Å; F387-F410 AromaticContact CE2-CD2 3.83Å; F387-F410 HydrophobicContact CE2-CD2 3.83Å; F387-F410 AromaticContact CE2-CE2 3.75Å; F387-F410 HydrophobicContact CE2-CE2 3.75Å; F387-F410 AromaticContact CG-CD2 3.74Å; F387-F410 HydrophobicContact CG-CD2 3.74Å; F387-F410 HydrophobicContact CG-CE2 4.32Å; F387-F410 HydrophobicContact CZ-CD2 4.36Å; F387-F410 HydrophobicContact CZ-CE2 4Å; L405-F410 HydrophobicContact CD1-CE1 4.46Å; L405-F410 HydrophobicContact CD1-CZ 4.44Å; L408-F410 HydrophobicContact CD2-CE1 4.05Å; L408-F410 HydrophobicContact CD2-CZ 4.11Å; L408-F410 PolarHBondContact O-N 3.29Å; F410-R412 VanDerWaalsContact C-N 3.26Å; F410-R412 PolarHBondContact O-N 3.37Å; F410-I561 HydrophobicContact CB-CD1 4.11Å; F410-I561 HydrophobicContact CD1-CD1 4.1Å; F410-I561 HydrophobicContact CD1-CG2 3.89Å; F410-I561 HydrophobicContact CE1-CG2 4.11Å |
| 411 | L | 92.6 | Very high | 87 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -82.5 | 7.1 | 177.8 | -62.7 | 176.7 | 0 | 0 | 0 | 114.6 | F387 L397 I399 L408 T409 S413 L414 W447 | F387-L411 HydrophobicContact CD1-CD2 3.6Å; F387-L411 HydrophobicContact CE1-CD2 3.76Å; F387-L411 HydrophobicContact CG-CD2 4.31Å; L397-L411 HydrophobicContact CD2-CD1 4.1Å; I399-L411 HydrophobicContact CD1-CD1 3.68Å; L408-L411 HydrophobicContact CB-CD1 4.37Å; L408-L411 WeakPolarHBondContact O-CB 3.44Å; L408-L411 PolarHBondContact O-N 3.32Å; T409-L411 PolarHBondContact O-N 3.08Å; L411-S413 PolarHBondContact O-N 2.6Å; L411-L414 WeakPolarHBondContact O-CB 3.47Å; L411-L414 PolarHBondContact O-N 3.11Å; L411-W447 HydrophobicContact CB-CB 4.46Å; L411-W447 HydrophobicContact CB-CD2 3.76Å; L411-W447 HydrophobicContact CB-CE3 4.19Å; L411-W447 HydrophobicContact CB-CG 3.91Å; L411-W447 HydrophobicContact CB-CZ2 4.41Å; L411-W447 HydrophobicContact CD1-CD2 4.35Å; L411-W447 HydrophobicContact CD1-CE3 3.98Å; L411-W447 HydrophobicContact CD1-CH2 4.03Å; L411-W447 HydrophobicContact CD1-CZ2 4.37Å; L411-W447 HydrophobicContact CD1-CZ3 3.83Å; L411-W447 PolarHBondContact O-NE1 2.88Å |
| 412 | R | 88.5 | Confident | 86.1 | Confident | 113 Ų | 113 | 31 Ų | 31 | 43% | 0.426 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -26.3 | -176.8 | 67.9 | -177.9 | -176.4 | 172.7 | 0.7 | 115.9 | T409 F410 I448 P449 V450 | T409-R412 WeakPolarHBondContact O-CB 3.22Å; T409-R412 PolarHBondContact O-N 2.67Å; F410-R412 VanDerWaalsContact C-N 3.26Å; F410-R412 PolarHBondContact O-N 3.37Å; R412-I448 WeakPolarHBondContact CA-O 3.31Å; R412-I448 WeakPolarHBondContact CB-O 3.49Å; R412-P449 WeakPolarHBondContact O-CA 3.45Å; R412-V450 HydrophobicContact CB-CG2 3.81Å; R412-V450 HydrophobicContact CG-CG2 3.95Å; R412-V450 PolarHBondContact O-N 2.7Å; R412-V450 VanDerWaalsContact O-N 3.09Å |
| 413 | S | 88.6 | Confident | 85.1 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 20% | 0.196 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.3 | 179.8 | -58.5 | 0 | 0 | 0 | 0 | 114.3 | S388 L390 L411 R415 | S388-S413 VanDerWaalsContact O-CB 3.25Å; S388-S413 WeakPolarHBondContact O-CB 3.22Å; S388-S413 PolarHBondContact O-OG 2.64Å; L390-S413 CarbonylContact O-C 3.49Å; L411-S413 PolarHBondContact O-N 2.6Å; S413-R415 WeakPolarHBondContact O-CG 3.43Å; S413-R415 PolarHBondContact O-N 3.31Å |
| 414 | L | 92.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -75.5 | 122.6 | -174.8 | -175.9 | 67.9 | 0 | 0 | 0 | 111.5 | L390 I393 L397 L411 I417 W447 L454 | L390-L414 HydrophobicContact CD2-CD1 4.42Å; L390-L414 HydrophobicContact CG-CD1 4.43Å; L390-L414 WeakPolarHBondContact O-CA 3.47Å; L390-L414 PolarHBondContact O-N 2.81Å; I393-L414 HydrophobicContact CD1-CD1 3.82Å; I393-L414 HydrophobicContact CD1-CD2 3.88Å; I393-L414 HydrophobicContact CG1-CD1 3.77Å; L397-L414 HydrophobicContact CD2-CD2 3.89Å; L411-L414 WeakPolarHBondContact O-CB 3.47Å; L411-L414 PolarHBondContact O-N 3.11Å; L414-I417 HydrophobicContact CD2-CD1 4.25Å; L414-I417 HydrophobicContact CD2-CG1 4.32Å; L414-W447 HydrophobicContact CD2-CZ2 4.29Å; L414-L454 HydrophobicContact CB-CD1 4.37Å; L414-L454 HydrophobicContact CD2-CD1 3.97Å; L414-L454 HydrophobicContact CG-CD1 3.71Å; L414-L454 WeakPolarHBondContact O-CD1 3.5Å | ||
| 415 | R | 90.7 | Very high | 83.4 | Confident | 92 Ų | 92 | 37.8 Ų | 37.8 | 35% | 0.347 | 19% | 0.192 | S | C | . | . | trans | -114 | -33.1 | -172.3 | -62.6 | 171.5 | 69.5 | -151.1 | -2.2 | 114 | E391 S413 T452 L454 I455 | E391-R415 WeakPolarHBondContact O-CA 3.28Å; E391-R415 PolarHBondContact O-N 3.44Å; E391-R415 WeakPolarHBondContact OE2-CD 3.26Å; E391-R415 IonicContact OE2-CZ 3.5Å; E391-R415 IonicContact OE2-NH1 2.75Å; E391-R415 PolarHBondContact OE2-NH1 3.15Å; S413-R415 WeakPolarHBondContact O-CG 3.43Å; S413-R415 PolarHBondContact O-N 3.31Å; R415-T452 PolarHBondContact NE-OG1 3.35Å; R415-T452 VanDerWaalsContact NE-OG1 3.16Å; R415-L454 CarbonylContact O-C 3.58Å; R415-L454 WeakPolarHBondContact O-CA 3.3Å; R415-I455 PolarHBondContact O-N 2.58Å | ||
| 416 | I | 91.6 | Very high | 82 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 134.4 | -176.4 | -51.4 | -175.2 | 0 | 0 | 0 | 112 | E391 E392 I393 I455 K457 | E391-I416 PolarHBondContact O-N 2.83Å; E391-I416 VanDerWaalsContact O-N 3.14Å; E392-I416 CarbonylContact C-O 3.51Å; E392-I416 WeakPolarHBondContact CA-O 3.09Å; E392-I416 HydrophobicContact CB-CB 4.49Å; E392-I416 HydrophobicContact CG-CB 4.15Å; I393-I416 PolarHBondContact N-O 3.38Å; I416-I455 CarbonylContact C-O 3.53Å; I416-I455 WeakPolarHBondContact CA-O 3.21Å; I416-I455 HydrophobicContact CG1-CB 4.36Å; I416-I455 HydrophobicContact CG2-CB 4.5Å; I416-K457 HydrophobicContact CG2-CD 4.48Å |
| 417 | I | 92.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114.7 | 160.4 | -45.1 | -178.8 | 0 | 0 | 0 | 108.9 | I393 L397 L414 V434 L454 I455 I456 K457 | I393-I417 HydrophobicContact CB-CG1 4.5Å; I393-I417 HydrophobicContact CB-CG2 4.27Å; I393-I417 HydrophobicContact CG2-CG2 4.34Å; I393-I417 CarbonylContact O-C 3.51Å; I393-I417 VanDerWaalsContact O-CA 3.25Å; I393-I417 WeakPolarHBondContact O-CA 3.23Å; L397-I417 HydrophobicContact CB-CD1 4.18Å; L397-I417 HydrophobicContact CD2-CD1 4.45Å; L414-I417 HydrophobicContact CD2-CD1 4.25Å; L414-I417 HydrophobicContact CD2-CG1 4.32Å; I417-V434 HydrophobicContact CB-CG1 4.32Å; I417-V434 HydrophobicContact CG2-CG1 3.44Å; I417-V434 VanDerWaalsContact CG2-CG1 3.44Å; I417-L454 HydrophobicContact CD1-CD2 4.42Å; I417-L454 HydrophobicContact CG1-CD1 4.23Å; I417-I455 PolarHBondContact N-O 3.48Å; I417-I456 HydrophobicContact CB-CG1 4.33Å; I417-I456 HydrophobicContact CD1-CD1 4.44Å; I417-I456 HydrophobicContact CD1-CG1 4.41Å; I417-I456 HydrophobicContact CG1-CG1 4.47Å; I417-I456 WeakPolarHBondContact O-CA 3.36Å; I417-K457 PolarHBondContact O-N 3.47Å |
| 418 | H | 88.8 | Confident | 78.6 | Confident | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | trans | -79.7 | -20.2 | -171.2 | -59.5 | -103.4 | 0 | 0 | 0 | 114 | E392 I393 H394 L420 K457 H458 | E392-H418 IonicContact OE2-CD2 3.75Å; E392-H418 IonicContact OE2-CE1 2.81Å; E392-H418 PolarHBondContact OE2-CE1 2.92Å; E392-H418 IonicContact OE2-NE2 3.81Å; E392-H418 PolarHBondContact OE2-NE2 2.97Å; I393-H418 PolarHBondContact O-CD2 3.44Å; I393-H418 PolarHBondContact O-N 2.81Å; H394-H418 AromaticContact ND1-CD2 3.61Å; H394-H418 AromaticContact ND1-NE2 3.9Å; H394-H418 CarbonylContact O-C 3.45Å; H394-H418 WeakPolarHBondContact O-CA 3.38Å; H394-H418 WeakPolarHBondContact O-CB 3.1Å; H394-H418 PolarHBondContact O-N 2.56Å; H418-L420 PolarHBondContact O-N 2.95Å; H418-K457 HydrophobicContact CB-CD 4.38Å; H418-K457 PolarHBondContact CE1-NZ 2.85Å; H418-K457 VanDerWaalsContact CE1-NZ 3.31Å; H418-K457 PolarHBondContact ND1-NZ 3.45Å; H418-H458 PolarHBondContact O-ND1 2.91Å | ||
| 419 | G | 84.9 | Confident | 76.4 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 67.6 | 8.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | H394 T395 | H394-G419 PolarHBondContact O-N 3.16Å; T395-G419 WeakPolarHBondContact O-CA 3.3Å |
| 420 | L | 81.4 | Confident | 74.5 | Confident | 34 Ų | 34 | 54 Ų | 54 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -137.1 | 159.9 | -172 | -64 | 177.8 | 0 | 0 | 0 | 110.9 | H394 T395 H418 V426 H458 | H394-L420 CarbonylContact C-O 3.5Å; H394-L420 WeakPolarHBondContact CB-O 3.47Å; H394-L420 PolarHBondContact O-N 3.29Å; T395-L420 VanDerWaalsContact CG2-O 3.28Å; T395-L420 WeakPolarHBondContact CG2-O 3.46Å; H418-L420 PolarHBondContact O-N 2.95Å; L420-V426 HydrophobicContact CD2-CB 4.2Å; L420-V426 HydrophobicContact CD2-CG1 4.43Å; L420-V426 HydrophobicContact CD2-CG2 3.78Å; L420-H458 VanDerWaalsContact CD1-CE1 3.47Å; L420-H458 WeakPolarHBondContact CD1-CE1 3.39Å |
| 421 | K | 69.3 | Low | 73 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | trans | -72.5 | 163.4 | 169.1 | -70.9 | -164.5 | -155.9 | 163.3 | 0 | 111.3 | T395 D423 G424 S425 | T395-K421 HydrophobicContact CG2-CB 4.39Å; T395-K421 HydrophobicContact CG2-CG 3.85Å; K421-D423 WeakPolarHBondContact CB-OD1 3.45Å; K421-D423 PolarHBondContact O-N 2.84Å; K421-G424 PolarHBondContact O-N 3.08Å; K421-S425 WeakPolarHBondContact CD-OG 3.44Å; K421-S425 PolarHBondContact N-O 2.59Å; K421-S425 VanDerWaalsContact N-O 3.14Å | ||
| 422 | R | 66.8 | Low | 71.9 | Confident | 103 Ų | 103 | 61.9 Ų | 61.9 | 39% | 0.389 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.9 | 176.9 | -75.3 | -176 | 178 | 141.1 | 15.3 | 114.2 | A344 C345 T364 H394 G424 | A344-R422 PolarHBondContact O-NH1 3.42Å; A344-R422 PolarHBondContact O-NH2 2.79Å; C345-R422 PolarHBondContact O-NH2 2.71Å; T364-R422 PolarHBondContact OG1-NH2 2.81Å; H394-R422 HydrophobicContact CB-CG 4.47Å; H394-R422 PolarHBondContact CD2-NE 3.02Å; H394-R422 PolarHBondContact CD2-NH2 3.27Å; H394-R422 PolarHBondContact NE2-NE 2.93Å; H394-R422 PolarHBondContact NE2-NH2 3.43Å; R422-G424 VanDerWaalsContact C-N 3.29Å |
| 423 | D | 67 | Low | 71.7 | Confident | 113 Ų | 113 | 57.5 Ų | 57.5 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4.5 | 173.8 | 59.2 | 12.4 | 0 | 0 | 0 | 113.3 | K421 S425 | K421-D423 WeakPolarHBondContact CB-OD1 3.45Å; K421-D423 PolarHBondContact O-N 2.84Å; D423-S425 VanDerWaalsContact CG-OG 3.28Å; D423-S425 PolarHBondContact O-N 3.05Å; D423-S425 WeakPolarHBondContact OD1-CB 3.3Å; D423-S425 PolarHBondContact OD1-N 3.48Å; D423-S425 PolarHBondContact OD1-OG 2.78Å; D423-S425 PolarHBondContact OD2-OG 2.9Å |
| 424 | G | 62.5 | Low | 71.8 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 76.4 | -4.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K421 R422 V426 | K421-G424 PolarHBondContact O-N 3.08Å; R422-G424 VanDerWaalsContact C-N 3.29Å; G424-V426 PolarHBondContact O-N 3.44Å |
| 425 | S | 61 | Low | 71.8 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | trans | -69 | 133.7 | -178.9 | 69.3 | 0 | 0 | 0 | 0 | 111.7 | K421 D423 P427 | K421-S425 WeakPolarHBondContact CD-OG 3.44Å; K421-S425 PolarHBondContact N-O 2.59Å; K421-S425 VanDerWaalsContact N-O 3.14Å; D423-S425 VanDerWaalsContact CG-OG 3.28Å; D423-S425 PolarHBondContact O-N 3.05Å; D423-S425 WeakPolarHBondContact OD1-CB 3.3Å; D423-S425 PolarHBondContact OD1-N 3.48Å; D423-S425 PolarHBondContact OD1-OG 2.78Å; D423-S425 PolarHBondContact OD2-OG 2.9Å; S425-P427 WeakPolarHBondContact O-CD 2.98Å | ||
| 426 | V | 56.9 | Low | 71.9 | Confident | 82 Ų | 82 | 53.8 Ų | 53.8 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | trans | -72.8 | 118.5 | 174 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | L420 G424 N428 G429 | L420-V426 HydrophobicContact CD2-CB 4.2Å; L420-V426 HydrophobicContact CD2-CG1 4.43Å; L420-V426 HydrophobicContact CD2-CG2 3.78Å; G424-V426 PolarHBondContact O-N 3.44Å; V426-N428 PolarHBondContact O-N 3.08Å; V426-G429 WeakPolarHBondContact CG1-O 2.99Å | ||
| 427 | P | 52.7 | Low | 72.1 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 87.3 | -178.1 | 30 | -34.9 | 0 | 0 | 0 | 111.4 | T395 S425 K432 | T395-P427 HydrophobicContact CG2-CG 4.42Å; S425-P427 WeakPolarHBondContact O-CD 2.98Å; P427-K432 HydrophobicContact CB-CD 4.29Å; P427-K432 HydrophobicContact CG-CD 4.01Å |
| 428 | N | 49.9 | Very low | 72 | Confident | 159 Ų | 159 | 52.4 Ų | 52.4 | 85% | 0.85 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 54.8 | 178.4 | -64.7 | 3.7 | 0 | 0 | 0 | 114.7 | V426 | V426-N428 PolarHBondContact O-N 3.08Š|
| 429 | G | 48.4 | Very low | 71.9 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 90.3 | 164.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V426 T431 | V426-G429 WeakPolarHBondContact CG1-O 2.99Å; G429-T431 PolarHBondContact O-N 3.4Å; G429-T431 VanDerWaalsContact O-N 3.12Å |
| 430 | P | 47.9 | Very low | 72.1 | Confident | 116 Ų | 116 | 56.6 Ų | 56.6 | 75% | 0.753 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.7 | -170.7 | 29.8 | -36.5 | 0 | 0 | 0 | 114.7 | ||
| 431 | T | 57.5 | Low | 72.1 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 56% | 0.564 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.9 | -174.9 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | G429 R460 | G429-T431 PolarHBondContact O-N 3.4Å; G429-T431 VanDerWaalsContact O-N 3.12Å; T431-R460 VanDerWaalsContact O-CZ 3.27Å; T431-R460 PolarHBondContact O-NE 3.44Å; T431-R460 PolarHBondContact O-NH2 2.81Å |
| 432 | K | 70.3 | Confident | 72.8 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | trans | -68.7 | 138.6 | -178.1 | -160.4 | -167.4 | 171.1 | -161.4 | 0 | 112.2 | P427 G459 R460 | P427-K432 HydrophobicContact CB-CD 4.29Å; P427-K432 HydrophobicContact CG-CD 4.01Å; K432-G459 WeakPolarHBondContact O-CA 3.38Å; K432-R460 PolarHBondContact O-N 3.24Å | ||
| 433 | T | 84 | Confident | 73.9 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133.7 | 167.9 | -47.7 | 0 | 0 | 0 | 0 | 110.6 | L435 E436 V462 | T433-L435 VanDerWaalsContact CG2-O 3.28Å; T433-L435 WeakPolarHBondContact CG2-O 3.48Å; T433-E436 HydrophobicContact CG2-CB 3.8Å; T433-E436 HydrophobicContact CG2-CG 4.38Å; T433-V462 HydrophobicContact CG2-CB 3.91Å; T433-V462 HydrophobicContact CG2-CG2 3.69Å |
| 434 | V | 89.7 | Confident | 74.8 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | -30.2 | -175.1 | 165.1 | 0 | 0 | 0 | 0 | 112 | T395 S396 L397 I417 I456 H458 R460 | T395-V434 WeakPolarHBondContact O-CG1 3.23Å; T395-V434 WeakPolarHBondContact O-CG2 3.17Å; S396-V434 CarbonylContact C-O 3.48Å; S396-V434 WeakPolarHBondContact CA-O 3.38Å; S396-V434 WeakPolarHBondContact CB-O 3.48Å; L397-V434 PolarHBondContact N-O 3.2Å; I417-V434 HydrophobicContact CB-CG1 4.32Å; I417-V434 HydrophobicContact CG2-CG1 3.44Å; I417-V434 VanDerWaalsContact CG2-CG1 3.44Å; V434-I456 HydrophobicContact CG1-CG2 4.17Å; V434-H458 WeakPolarHBondContact CG1-O 3.33Å; V434-H458 WeakPolarHBondContact CG2-O 3.15Å; V434-R460 PolarHBondContact N-O 3.29Å |
| 435 | L | 93.8 | Very high | 76 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.3 | 161.7 | 179.2 | 61.4 | 0 | 0 | 0 | 108.6 | L397 T433 I437 W447 I456 R460 V461 V462 F463 | L397-L435 HydrophobicContact CB-CD1 4.07Å; L397-L435 HydrophobicContact CD2-CD1 3.8Å; L397-L435 HydrophobicContact CG-CD1 3.94Å; L397-L435 CarbonylContact O-C 3.49Å; L397-L435 WeakPolarHBondContact O-CA 3.07Å; T433-L435 VanDerWaalsContact CG2-O 3.28Å; T433-L435 WeakPolarHBondContact CG2-O 3.48Å; L435-I437 HydrophobicContact CD1-CD1 4.16Å; L435-I437 HydrophobicContact CD1-CG1 4.21Å; L435-W447 HydrophobicContact CD1-CH2 4.41Å; L435-I456 HydrophobicContact CB-CD1 4.27Å; L435-I456 HydrophobicContact CD2-CD1 4.04Å; L435-R460 PolarHBondContact N-O 3.32Å; L435-V461 HydrophobicContact CB-CB 4.38Å; L435-V461 HydrophobicContact CB-CG1 4.08Å; L435-V461 CarbonylContact O-C 3.57Å; L435-V461 WeakPolarHBondContact O-CA 3.36Å; L435-V462 PolarHBondContact O-N 3.17Å; L435-F463 HydrophobicContact CD2-CE2 4.15Å; L435-F463 HydrophobicContact CD2-CZ 3.93Å |
| 436 | E | 93.6 | Very high | 77.4 | Confident | 39 Ų | 39 | 48 Ų | 48 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.7 | 176 | -170.8 | 166.7 | -141.8 | 0 | 0 | 110 | L397 H398 I399 I400 T433 A438 V462 | L397-E436 PolarHBondContact O-N 2.99Å; H398-E436 CarbonylContact C-O 3.51Å; H398-E436 WeakPolarHBondContact CA-O 3.3Å; H398-E436 HydrophobicContact CB-CB 4.41Å; H398-E436 IonicContact CE1-OE2 3.97Å; H398-E436 PolarHBondContact CE1-OE2 2.59Å; H398-E436 IonicContact CG-OE2 1.75Å; H398-E436 WeakPolarHBondContact ND1-CB 3.09Å; H398-E436 IonicContact ND1-OE2 3.94Å; H398-E436 PolarHBondContact ND1-OE2 3.46Å; I399-E436 PolarHBondContact N-O 2.88Å; I400-E436 HydrophobicContact CG2-CG 4.11Å; T433-E436 HydrophobicContact CG2-CB 3.8Å; T433-E436 HydrophobicContact CG2-CG 4.38Å; E436-A438 HydrophobicContact CG-CB 4.07Å; E436-V462 CarbonylContact C-O 3.57Å; E436-V462 WeakPolarHBondContact CA-O 3.26Å; E436-V462 HydrophobicContact CG-CB 4.48Å |
| 437 | I | 95.1 | Very high | 79 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 99.9 | 174.4 | -63.2 | 178.2 | 0 | 0 | 0 | 105.4 | I399 L408 L435 L443 L446 W447 V462 F463 T464 N466 | I399-I437 HydrophobicContact CB-CG1 4.34Å; I399-I437 HydrophobicContact CD1-CD1 4.47Å; I399-I437 HydrophobicContact CD1-CG1 4.37Å; I399-I437 WeakPolarHBondContact O-CA 3.33Å; L408-I437 HydrophobicContact CD1-CD1 3.69Å; L408-I437 HydrophobicContact CD1-CG1 4.45Å; L408-I437 HydrophobicContact CD1-CG2 4.45Å; L435-I437 HydrophobicContact CD1-CD1 4.16Å; L435-I437 HydrophobicContact CD1-CG1 4.21Å; I437-L443 HydrophobicContact CG2-CD2 3.69Å; I437-L446 HydrophobicContact CD1-CD2 4.04Å; I437-W447 HydrophobicContact CD1-CH2 4.44Å; I437-W447 HydrophobicContact CD1-CZ3 3.98Å; I437-V462 PolarHBondContact N-O 3.27Å; I437-F463 HydrophobicContact CB-CD1 3.97Å; I437-F463 HydrophobicContact CB-CE1 4.19Å; I437-F463 HydrophobicContact CD1-CD1 4.29Å; I437-F463 HydrophobicContact CD1-CE1 3.61Å; I437-F463 HydrophobicContact CD1-CZ 4.11Å; I437-F463 HydrophobicContact CG1-CE1 4.31Å; I437-F463 HydrophobicContact CG2-CD1 4.34Å; I437-F463 WeakPolarHBondContact O-CA 3.48Å; I437-T464 PolarHBondContact O-N 3.14Å; I437-T464 VanDerWaalsContact O-N 3.1Å; I437-N466 PolarHBondContact O-ND2 2.91Å |
| 438 | A | 90.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I399 I400 S401 E436 N440 T464 | I399-A438 PolarHBondContact O-N 2.98Å; I400-A438 CarbonylContact C-O 3.43Å; I400-A438 WeakPolarHBondContact CA-O 3.3Å; I400-A438 HydrophobicContact CG2-CB 4Å; S401-A438 PolarHBondContact N-O 2.91Å; E436-A438 HydrophobicContact CG-CB 4.07Å; A438-N440 PolarHBondContact N-ND2 2.04Å; A438-N440 PolarHBondContact O-N 2.76Å; A438-N440 VanDerWaalsContact O-N 3.15Å; A438-N440 PolarHBondContact O-ND2 3.48Å; A438-T464 CarbonylContact C-O 3.53Å; A438-T464 VanDerWaalsContact CA-O 3.25Å; A438-T464 WeakPolarHBondContact CA-O 3.27Å; A438-T464 HydrophobicContact CB-CG2 3.63Å |
| 439 | W | 88.1 | Confident | 82.2 | Confident | 123 Ų | 123 | 42 Ų | 42 | 47% | 0.466 | 23% | 0.226 | S | C | . | . | trans | 56.5 | 26.1 | 175.7 | -45.6 | -71 | 0 | 0 | 0 | 115.3 | I400 S401 S441 T464 L465 | I400-W439 HydrophobicContact CB-CE3 4.09Å; I400-W439 HydrophobicContact CB-CZ3 4.26Å; I400-W439 HydrophobicContact CG2-CZ3 4.42Å; S401-W439 WeakPolarHBondContact CA-O 3.5Å; W439-S441 PolarHBondContact O-N 3.49Å; W439-T464 PolarHBondContact N-O 2.96Å; W439-L465 VanDerWaalsContact CD1-CD1 3.48Å; W439-L465 VanDerWaalsContact NE1-CD1 3.3Å | ||
| 440 | N | 88.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -88.6 | 92 | 176.9 | -50.8 | -71.8 | 0 | 0 | 0 | 108.4 | I399 S401 S402 A438 Q442 L443 N466 | I399-N440 PolarHBondContact O-ND2 3.03Å; I399-N440 PolarHBondContact O-OD1 2.78Å; S401-N440 PolarHBondContact N-OD1 2.88Å; S402-N440 VanDerWaalsContact CB-OD1 3.31Å; S402-N440 WeakPolarHBondContact CB-OD1 3.37Å; S402-N440 PolarHBondContact N-OD1 3Å; A438-N440 PolarHBondContact N-ND2 2.04Å; A438-N440 PolarHBondContact O-N 2.76Å; A438-N440 VanDerWaalsContact O-N 3.15Å; A438-N440 PolarHBondContact O-ND2 3.48Å; N440-Q442 PolarHBondContact O-N 3.31Å; N440-L443 HydrophobicContact CB-CB 3.72Å; N440-L443 HydrophobicContact CB-CD2 4.14Å; N440-L443 WeakPolarHBondContact O-CB 3.47Å; N440-L443 PolarHBondContact O-N 3.09Å; N440-N466 WeakPolarHBondContact CB-OD1 3.32Å; N440-N466 PolarHBondContact N-OD1 2.8Å; N440-N466 PolarHBondContact ND2-OD1 3.2Å | ||
| 441 | S | 81.8 | Confident | 84.3 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -35.7 | -164.7 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | D403 W439 N468 | D403-S441 VanDerWaalsContact OD1-CB 3.23Å; D403-S441 WeakPolarHBondContact OD1-CB 3.06Å; D403-S441 PolarHBondContact OD1-N 2.8Å; D403-S441 VanDerWaalsContact OD1-N 3.15Å; D403-S441 PolarHBondContact OD1-OG 3.26Å; W439-S441 PolarHBondContact O-N 3.49Å; S441-N468 PolarHBondContact O-ND2 3.48Å |
| 442 | Q | 84.1 | Confident | 85.2 | Confident | 81 Ų | 81 | 42.7 Ų | 42.7 | 38% | 0.379 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -1.4 | 179 | -62.7 | -63.4 | -7.9 | 0 | 0 | 114.6 | D403 L405 Q406 N440 K444 | D403-Q442 WeakPolarHBondContact O-CB 3.41Å; D403-Q442 WeakPolarHBondContact O-CG 3.47Å; L405-Q442 CarbonylContact O-C 3.56Å; Q406-Q442 WeakPolarHBondContact CA-O 3.32Å; Q406-Q442 HydrophobicContact CG-CB 4.21Å; N440-Q442 PolarHBondContact O-N 3.31Å; Q442-K444 PolarHBondContact O-N 2.75Å |
| 443 | L | 89.1 | Confident | 86 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -69 | 122.3 | -174.7 | -174.5 | 67.2 | 0 | 0 | 0 | 110.9 | L405 L408 I437 N440 N468 L469 | L405-L443 VanDerWaalsContact O-CA 3.26Å; L405-L443 WeakPolarHBondContact O-CA 3.27Å; L405-L443 PolarHBondContact O-N 2.9Å; L408-L443 HydrophobicContact CD1-CD2 4.15Å; L408-L443 HydrophobicContact CD2-CD1 3.96Å; L408-L443 HydrophobicContact CG-CD1 3.78Å; L408-L443 HydrophobicContact CG-CD2 4.25Å; I437-L443 HydrophobicContact CG2-CD2 3.69Å; N440-L443 HydrophobicContact CB-CB 3.72Å; N440-L443 HydrophobicContact CB-CD2 4.14Å; N440-L443 WeakPolarHBondContact O-CB 3.47Å; N440-L443 PolarHBondContact O-N 3.09Å; L443-N468 CarbonylContact O-C 3.58Å; L443-N468 VanDerWaalsContact O-CB 3.24Å; L443-N468 WeakPolarHBondContact O-CB 3.37Å; L443-L469 HydrophobicContact CD2-CD2 4.07Å; L443-L469 WeakPolarHBondContact O-CA 3.19Å; L443-L469 WeakPolarHBondContact O-CB 3.49Å; L443-L469 PolarHBondContact O-N 2.75Å | ||
| 444 | K | 85.3 | Confident | 86.3 | Confident | 82 Ų | 82 | 41.4 Ų | 41.4 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | trans | -111 | -28.7 | -178.6 | -68.2 | 166 | -176 | 171.6 | 0 | 113.1 | Q406 Q442 N468 L469 | Q406-K444 PolarHBondContact O-N 3.33Å; Q406-K444 VanDerWaalsContact OE1-CE 3.28Å; Q442-K444 PolarHBondContact O-N 2.75Å; K444-N468 HydrophobicContact CG-CB 4Å; K444-L469 WeakPolarHBondContact O-CD1 3.39Å | ||
| 445 | S | 87.4 | Confident | 86.4 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -139.5 | 143.4 | -170.3 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | Q406 S407 L408 | Q406-S445 PolarHBondContact O-N 3.49Å; Q406-S445 PolarHBondContact O-OG 3.09Å; S407-S445 WeakPolarHBondContact CA-OG 3.45Å; S407-S445 WeakPolarHBondContact CB-OG 3.17Å; S407-S445 PolarHBondContact OG-OG 3.24Å; L408-S445 PolarHBondContact N-O 2.99Å |
| 446 | L | 92.1 | Very high | 86.3 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 12% | 0.115 | 24% | 0.235 | C | C | . | . | trans | -94.3 | -174 | 170.1 | -59.8 | 177.3 | 0 | 0 | 0 | 110.4 | L408 I437 F463 L469 V474 F477 | L408-L446 HydrophobicContact CD1-CD2 3.88Å; I437-L446 HydrophobicContact CD1-CD2 4.04Å; L446-F463 HydrophobicContact CD1-CE1 3.69Å; L446-F463 HydrophobicContact CD1-CZ 4.34Å; L446-F463 HydrophobicContact CD2-CE1 4.03Å; L446-L469 HydrophobicContact CD1-CD2 4.38Å; L446-L469 HydrophobicContact CD2-CD2 3.83Å; L446-L469 HydrophobicContact CG-CD1 4.08Å; L446-L469 HydrophobicContact CG-CD2 4.1Å; L446-V474 HydrophobicContact CD1-CG2 4.36Å; L446-F477 HydrophobicContact CB-CD2 4.15Å; L446-F477 HydrophobicContact CB-CG 4.26Å; L446-F477 HydrophobicContact CD1-CB 3.76Å; L446-F477 HydrophobicContact CD1-CD1 3.66Å; L446-F477 HydrophobicContact CD1-CD2 4.4Å; L446-F477 HydrophobicContact CD1-CE1 4.36Å; L446-F477 HydrophobicContact CD1-CG 3.68Å | ||
| 447 | W | 90.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | trans | -104.4 | 153.1 | -173.4 | 68.3 | 100.1 | 0 | 0 | 0 | 115 | L397 L408 L411 L414 L435 I437 P449 L454 F477 | L397-W447 HydrophobicContact CD2-CH2 4.3Å; L408-W447 HydrophobicContact CB-CE3 3.82Å; L408-W447 HydrophobicContact CB-CZ3 4.36Å; L408-W447 HydrophobicContact CD1-CE3 4.15Å; L408-W447 HydrophobicContact CD1-CZ3 3.89Å; L411-W447 HydrophobicContact CB-CB 4.46Å; L411-W447 HydrophobicContact CB-CD2 3.76Å; L411-W447 HydrophobicContact CB-CE3 4.19Å; L411-W447 HydrophobicContact CB-CG 3.91Å; L411-W447 HydrophobicContact CB-CZ2 4.41Å; L411-W447 HydrophobicContact CD1-CD2 4.35Å; L411-W447 HydrophobicContact CD1-CE3 3.98Å; L411-W447 HydrophobicContact CD1-CH2 4.03Å; L411-W447 HydrophobicContact CD1-CZ2 4.37Å; L411-W447 HydrophobicContact CD1-CZ3 3.83Å; L411-W447 PolarHBondContact O-NE1 2.88Å; L414-W447 HydrophobicContact CD2-CZ2 4.29Å; L435-W447 HydrophobicContact CD1-CH2 4.41Å; I437-W447 HydrophobicContact CD1-CH2 4.44Å; I437-W447 HydrophobicContact CD1-CZ3 3.98Å; W447-P449 WeakPolarHBondContact O-CD 3.32Å; W447-L454 HydrophobicContact CZ2-CD2 3.84Å; W447-F477 HydrophobicContact CD2-CE2 4.11Å; W447-F477 HydrophobicContact CD2-CZ 4.08Å; W447-F477 AromaticContact CE2-CZ 3.84Å; W447-F477 HydrophobicContact CE3-CE2 4.44Å; W447-F477 HydrophobicContact CE3-CZ 4.21Å; W447-F477 HydrophobicContact CG-CE2 4.45Å; W447-F477 HydrophobicContact CH2-CE1 4.48Å; W447-F477 AromaticContact CH2-CZ 3.93Å; W447-F477 HydrophobicContact CH2-CZ 3.93Å; W447-F477 AromaticContact CZ2-CZ 3.79Å; W447-F477 HydrophobicContact CZ2-CZ 3.79Å; W447-F477 HydrophobicContact CZ3-CZ 4.13Å; W447-F477 WeakPolarHBondContact O-CE2 3.43Å | ||
| 448 | I | 86.6 | Confident | 85.3 | Confident | 116 Ų | 116 | 50.2 Ų | 50.2 | 60% | 0.595 | 26% | 0.262 | S | S | * | . | trans | -76.8 | 95.3 | 163.2 | 5.7 | 163.8 | 0 | 0 | 0 | 115.6 | R412 V450 N481 | R412-I448 WeakPolarHBondContact CA-O 3.31Å; R412-I448 WeakPolarHBondContact CB-O 3.49Å; I448-V450 PolarHBondContact O-N 2.02Å; I448-N481 WeakPolarHBondContact CG2-ND2 3.28Å | ||
| 449 | P | 82.1 | Confident | 84.9 | Confident | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | trans | -61.4 | 124 | 170.7 | -24 | 36.4 | 0 | 0 | 0 | 110.9 | R412 W447 S451 T452 L454 N481 | R412-P449 WeakPolarHBondContact O-CA 3.45Å; W447-P449 WeakPolarHBondContact O-CD 3.32Å; P449-S451 PolarHBondContact O-N 2.98Å; P449-T452 VanDerWaalsContact CB-O 3.31Å; P449-T452 WeakPolarHBondContact CB-O 3.49Å; P449-L454 HydrophobicContact CG-CB 4.48Å; P449-N481 HydrophobicContact CG-CB 4.27Å | ||
| 450 | V | 74 | Confident | 84.9 | Confident | 109 Ų | 109 | 49 Ų | 49 | 66% | 0.661 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -69.4 | -36.7 | -165.4 | 178.5 | 0 | 0 | 0 | 0 | 114 | R412 I448 | R412-V450 HydrophobicContact CB-CG2 3.81Å; R412-V450 HydrophobicContact CG-CG2 3.95Å; R412-V450 PolarHBondContact O-N 2.7Å; R412-V450 VanDerWaalsContact O-N 3.09Å; I448-V450 PolarHBondContact O-N 2.02Å |
| 451 | S | 66.9 | Low | 85 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 61% | 0.608 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -126 | -27.8 | -166.9 | 58.3 | 0 | 0 | 0 | 0 | 115.3 | P449 | P449-S451 PolarHBondContact O-N 2.98Š|
| 452 | T | 76.2 | Confident | 85.4 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -153.1 | 143.9 | -178.6 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | R415 P449 | R415-T452 PolarHBondContact NE-OG1 3.35Å; R415-T452 VanDerWaalsContact NE-OG1 3.16Å; P449-T452 VanDerWaalsContact CB-O 3.31Å; P449-T452 WeakPolarHBondContact CB-O 3.49Å |
| 453 | N | 85.9 | Confident | 85.9 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | trans | -52.2 | 142.1 | 170.7 | -76 | 14.4 | 0 | 0 | 0 | 111.8 | I455 S480 N481 | N453-I455 PolarHBondContact O-N 2.05Å; N453-S480 PolarHBondContact ND2-O 2.89Å; N453-S480 PolarHBondContact OD1-O 2.94Å; N453-N481 CarbonylContact C-O 3.59Å; N453-N481 VanDerWaalsContact CA-O 3.31Å; N453-N481 WeakPolarHBondContact CA-O 3.45Å; N453-N481 WeakPolarHBondContact CB-O 3.49Å | ||
| 454 | L | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 112.7 | 179.6 | 179.9 | 74.4 | 0 | 0 | 0 | 110.3 | L414 R415 I417 W447 P449 I456 F477 N481 V482 N483 | L414-L454 HydrophobicContact CB-CD1 4.37Å; L414-L454 HydrophobicContact CD2-CD1 3.97Å; L414-L454 HydrophobicContact CG-CD1 3.71Å; L414-L454 WeakPolarHBondContact O-CD1 3.5Å; R415-L454 CarbonylContact O-C 3.58Å; R415-L454 WeakPolarHBondContact O-CA 3.3Å; I417-L454 HydrophobicContact CD1-CD2 4.42Å; I417-L454 HydrophobicContact CG1-CD1 4.23Å; W447-L454 HydrophobicContact CZ2-CD2 3.84Å; P449-L454 HydrophobicContact CG-CB 4.48Å; L454-I456 HydrophobicContact CD2-CD1 4.06Å; L454-I456 HydrophobicContact CD2-CG1 4.15Å; L454-I456 HydrophobicContact CG-CG1 4.22Å; L454-I456 PolarHBondContact O-N 2.86Å; L454-F477 HydrophobicContact CD2-CZ 4.35Å; L454-N481 PolarHBondContact N-O 2.86Å; L454-V482 HydrophobicContact CB-CG2 4.35Å; L454-V482 HydrophobicContact CD2-CG2 4.19Å; L454-V482 CarbonylContact O-C 3.53Å; L454-V482 WeakPolarHBondContact O-CA 3.47Å; L454-V482 WeakPolarHBondContact O-CG1 3.37Å; L454-N483 PolarHBondContact O-N 3.31Å |
| 455 | I | 92.1 | Very high | 86 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 111.9 | 179.9 | -53.3 | 178.3 | 0 | 0 | 0 | 109.4 | R415 I416 I417 N453 K457 N483 | R415-I455 PolarHBondContact O-N 2.58Å; I416-I455 CarbonylContact C-O 3.53Å; I416-I455 WeakPolarHBondContact CA-O 3.21Å; I416-I455 HydrophobicContact CG1-CB 4.36Å; I416-I455 HydrophobicContact CG2-CB 4.5Å; I417-I455 PolarHBondContact N-O 3.48Å; N453-I455 PolarHBondContact O-N 2.05Å; I455-K457 HydrophobicContact CG2-CG 4.06Å; I455-N483 WeakPolarHBondContact CA-O 3.49Å; I455-N483 HydrophobicContact CG1-CB 4.41Å |
| 456 | I | 90.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 103.4 | 172.5 | -59 | -177.8 | 0 | 0 | 0 | 108.4 | I417 V434 L435 L454 V461 V482 N483 L484 S485 | I417-I456 HydrophobicContact CB-CG1 4.33Å; I417-I456 HydrophobicContact CD1-CD1 4.44Å; I417-I456 HydrophobicContact CD1-CG1 4.41Å; I417-I456 HydrophobicContact CG1-CG1 4.47Å; I417-I456 WeakPolarHBondContact O-CA 3.36Å; V434-I456 HydrophobicContact CG1-CG2 4.17Å; L435-I456 HydrophobicContact CB-CD1 4.27Å; L435-I456 HydrophobicContact CD2-CD1 4.04Å; L454-I456 HydrophobicContact CD2-CD1 4.06Å; L454-I456 HydrophobicContact CD2-CG1 4.15Å; L454-I456 HydrophobicContact CG-CG1 4.22Å; L454-I456 PolarHBondContact O-N 2.86Å; I456-V461 HydrophobicContact CD1-CG1 3.9Å; I456-V461 HydrophobicContact CG2-CG1 4.44Å; I456-V482 HydrophobicContact CB-CG1 4.43Å; I456-V482 HydrophobicContact CD1-CG1 3.73Å; I456-V482 HydrophobicContact CG1-CG1 3.88Å; I456-N483 PolarHBondContact N-O 3.34Å; I456-L484 HydrophobicContact CB-CD1 3.78Å; I456-L484 HydrophobicContact CG2-CD1 3.71Å; I456-S485 PolarHBondContact O-N 3.17Å |
| 457 | K | 85.8 | Confident | 85.8 | Confident | 78 Ų | 78 | 44.3 Ų | 44.3 | 34% | 0.339 | 24% | 0.235 | S | C | . | . | trans | -75.4 | -35 | -170.7 | -63.2 | -176.7 | -179 | 171.7 | 0 | 113.7 | I416 I417 H418 I455 S485 | I416-K457 HydrophobicContact CG2-CD 4.48Å; I417-K457 PolarHBondContact O-N 3.47Å; H418-K457 HydrophobicContact CB-CD 4.38Å; H418-K457 PolarHBondContact CE1-NZ 2.85Å; H418-K457 VanDerWaalsContact CE1-NZ 3.31Å; H418-K457 PolarHBondContact ND1-NZ 3.45Å; I455-K457 HydrophobicContact CG2-CG 4.06Å; K457-S485 VanDerWaalsContact O-CB 3.3Å; K457-S485 WeakPolarHBondContact O-CB 3.39Å; K457-S485 PolarHBondContact O-OG 3.47Å | ||
| 458 | H | 83.3 | Confident | 85.6 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -148.8 | 162.3 | -176.3 | -52.4 | 98.3 | 0 | 0 | 0 | 112.2 | H418 L420 V434 | H418-H458 PolarHBondContact O-ND1 2.91Å; L420-H458 VanDerWaalsContact CD1-CE1 3.47Å; L420-H458 WeakPolarHBondContact CD1-CE1 3.39Å; V434-H458 WeakPolarHBondContact CG1-O 3.33Å; V434-H458 WeakPolarHBondContact CG2-O 3.15Å |
| 459 | G | 82.1 | Confident | 85.8 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 17% | 0.165 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 91.2 | -172.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K432 R486 | K432-G459 WeakPolarHBondContact O-CA 3.38Å; G459-R486 PolarHBondContact O-NE 3.24Å; G459-R486 VanDerWaalsContact O-NE 3.16Å; G459-R486 PolarHBondContact O-NH2 3.23Å |
| 460 | R | 86.6 | Confident | 86.1 | Confident | 82 Ų | 82 | 38.9 Ų | 38.9 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 149.2 | -179.6 | -74.2 | -165.9 | -67.7 | 157.6 | 0.1 | 114.1 | T431 K432 V434 L435 E492 | T431-R460 VanDerWaalsContact O-CZ 3.27Å; T431-R460 PolarHBondContact O-NE 3.44Å; T431-R460 PolarHBondContact O-NH2 2.81Å; K432-R460 PolarHBondContact O-N 3.24Å; V434-R460 PolarHBondContact N-O 3.29Å; L435-R460 PolarHBondContact N-O 3.32Å; R460-E492 VanDerWaalsContact CA-OE1 3.31Å; R460-E492 WeakPolarHBondContact CA-OE1 3.22Å; R460-E492 WeakPolarHBondContact CB-OE1 3.46Å; R460-E492 WeakPolarHBondContact CG-OE1 3.45Å |
| 461 | V | 90.9 | Very high | 86.9 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.7 | 174.5 | -57 | 0 | 0 | 0 | 0 | 108.6 | L435 I456 L484 L488 E492 | L435-V461 HydrophobicContact CB-CB 4.38Å; L435-V461 HydrophobicContact CB-CG1 4.08Å; L435-V461 CarbonylContact O-C 3.57Å; L435-V461 WeakPolarHBondContact O-CA 3.36Å; I456-V461 HydrophobicContact CD1-CG1 3.9Å; I456-V461 HydrophobicContact CG2-CG1 4.44Å; V461-L484 HydrophobicContact CG1-CD1 4.12Å; V461-L484 HydrophobicContact CG2-CD2 4.35Å; V461-L488 HydrophobicContact CG2-CD2 3.38Å; V461-E492 PolarHBondContact N-OE1 3.01Å; V461-E492 WeakPolarHBondContact O-CG 3.14Å |
| 462 | V | 90.8 | Very high | 87.9 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.085 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 114.7 | -172.2 | 175 | 0 | 0 | 0 | 0 | 109.3 | T433 L435 E436 I437 T464 | T433-V462 HydrophobicContact CG2-CB 3.91Å; T433-V462 HydrophobicContact CG2-CG2 3.69Å; L435-V462 PolarHBondContact O-N 3.17Å; E436-V462 CarbonylContact C-O 3.57Å; E436-V462 WeakPolarHBondContact CA-O 3.26Å; E436-V462 HydrophobicContact CG-CB 4.48Å; I437-V462 PolarHBondContact N-O 3.27Å; V462-T464 HydrophobicContact CG1-CG2 3.9Å |
| 463 | F | 94.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 114.2 | 168.5 | -66.5 | -104.7 | 0 | 0 | 0 | 106.9 | L435 I437 L446 L469 V474 F477 I478 I496 N500 | L435-F463 HydrophobicContact CD2-CE2 4.15Å; L435-F463 HydrophobicContact CD2-CZ 3.93Å; I437-F463 HydrophobicContact CB-CD1 3.97Å; I437-F463 HydrophobicContact CB-CE1 4.19Å; I437-F463 HydrophobicContact CD1-CD1 4.29Å; I437-F463 HydrophobicContact CD1-CE1 3.61Å; I437-F463 HydrophobicContact CD1-CZ 4.11Å; I437-F463 HydrophobicContact CG1-CE1 4.31Å; I437-F463 HydrophobicContact CG2-CD1 4.34Å; I437-F463 WeakPolarHBondContact O-CA 3.48Å; L446-F463 HydrophobicContact CD1-CE1 3.69Å; L446-F463 HydrophobicContact CD1-CZ 4.34Å; L446-F463 HydrophobicContact CD2-CE1 4.03Å; F463-L469 HydrophobicContact CD1-CD2 4.42Å; F463-V474 HydrophobicContact CB-CG1 3.9Å; F463-V474 HydrophobicContact CB-CG2 4.49Å; F463-V474 HydrophobicContact CD1-CB 4.46Å; F463-V474 HydrophobicContact CD1-CG1 3.65Å; F463-V474 HydrophobicContact CD1-CG2 3.93Å; F463-V474 HydrophobicContact CD2-CG1 3.68Å; F463-V474 HydrophobicContact CE1-CG1 4Å; F463-V474 HydrophobicContact CE1-CG2 4.47Å; F463-V474 HydrophobicContact CE2-CG1 4.06Å; F463-V474 HydrophobicContact CG-CG1 3.47Å; F463-V474 VanDerWaalsContact CG-CG1 3.47Å; F463-V474 HydrophobicContact CG-CG2 4.36Å; F463-V474 HydrophobicContact CZ-CG1 4.2Å; F463-F477 HydrophobicContact CZ-CD1 4.22Å; F463-F477 HydrophobicContact CZ-CE1 4.24Å; F463-I478 HydrophobicContact CD2-CD1 4.2Å; F463-I478 HydrophobicContact CE2-CD1 3.83Å; F463-I478 HydrophobicContact CE2-CG1 4.25Å; F463-I496 HydrophobicContact CB-CG1 4.16Å; F463-N500 PolarHBondContact O-ND2 3.42Å |
| 464 | T | 90.7 | Very high | 88.9 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 139.9 | -176.1 | -173.5 | 0 | 0 | 0 | 0 | 113.6 | I437 A438 W439 V462 N466 S499 N500 | I437-T464 PolarHBondContact O-N 3.14Å; I437-T464 VanDerWaalsContact O-N 3.1Å; A438-T464 CarbonylContact C-O 3.53Å; A438-T464 VanDerWaalsContact CA-O 3.25Å; A438-T464 WeakPolarHBondContact CA-O 3.27Å; A438-T464 HydrophobicContact CB-CG2 3.63Å; W439-T464 PolarHBondContact N-O 2.96Å; V462-T464 HydrophobicContact CG1-CG2 3.9Å; T464-N466 PolarHBondContact N-ND2 3.24Å; T464-N466 PolarHBondContact O-N 2.92Å; T464-N466 PolarHBondContact O-ND2 3.21Å; T464-S499 VanDerWaalsContact CA-OG 3.3Å; T464-S499 WeakPolarHBondContact CA-OG 3.3Å; T464-S499 PolarHBondContact OG1-OG 3.07Å; T464-N500 PolarHBondContact N-OD1 2.82Å |
| 465 | L | 86.3 | Confident | 88.9 | Confident | 31 Ų | 31 | 36.1 Ų | 36.1 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | trans | 57.9 | 21.4 | 173.1 | -64.2 | 161.6 | 0 | 0 | 0 | 114.8 | W439 R467 S499 | W439-L465 VanDerWaalsContact CD1-CD1 3.48Å; W439-L465 VanDerWaalsContact NE1-CD1 3.3Å; L465-R467 VanDerWaalsContact C-N 3.35Å; L465-R467 PolarHBondContact O-N 2.84Å; L465-R467 VanDerWaalsContact O-N 3.09Å; L465-S499 VanDerWaalsContact CA-O 3.25Å; L465-S499 WeakPolarHBondContact CA-O 3.48Å; L465-S499 PolarHBondContact N-O 3.2Å; L465-S499 PolarHBondContact N-OG 3.16Å; L465-S499 VanDerWaalsContact N-OG 3.13Å | ||
| 466 | N | 90 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -81.3 | 84.6 | 170.1 | -52.1 | -74.9 | 0 | 0 | 0 | 108.1 | I437 N440 T464 N468 L469 N500 G501 | I437-N466 PolarHBondContact O-ND2 2.91Å; N440-N466 WeakPolarHBondContact CB-OD1 3.32Å; N440-N466 PolarHBondContact N-OD1 2.8Å; N440-N466 PolarHBondContact ND2-OD1 3.2Å; T464-N466 PolarHBondContact N-ND2 3.24Å; T464-N466 PolarHBondContact O-N 2.92Å; T464-N466 PolarHBondContact O-ND2 3.21Å; N466-N468 VanDerWaalsContact C-N 3.25Å; N466-N468 PolarHBondContact O-N 2.78Å; N466-N468 VanDerWaalsContact O-N 3.14Å; N466-L469 HydrophobicContact CB-CB 3.81Å; N466-L469 HydrophobicContact CB-CD2 4.24Å; N466-L469 PolarHBondContact O-N 3.24Å; N466-N500 WeakPolarHBondContact CB-OD1 3.5Å; N466-N500 PolarHBondContact N-OD1 2.92Å; N466-N500 PolarHBondContact ND2-OD1 3.27Å; N466-G501 PolarHBondContact O-N 2.74Å | ||
| 467 | R | 85.9 | Confident | 88.9 | Confident | 78 Ų | 78 | 35.7 Ų | 35.7 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.8 | -164.1 | -61.2 | -172.9 | 172.1 | -144.9 | -9.3 | 113.8 | L465 G501 A502 I503 G504 E1441 | L465-R467 VanDerWaalsContact C-N 3.35Å; L465-R467 PolarHBondContact O-N 2.84Å; L465-R467 VanDerWaalsContact O-N 3.09Å; R467-G501 CarbonylContact O-C 3.51Å; R467-G501 WeakPolarHBondContact O-CA 3.42Å; R467-A502 PolarHBondContact O-N 2.82Å; R467-A502 VanDerWaalsContact O-N 3.07Å; R467-I503 HydrophobicContact CB-CD1 3.76Å; R467-I503 HydrophobicContact CB-CG1 3.78Å; R467-I503 PolarHBondContact O-N 3.1Å; R467-G504 PolarHBondContact O-N 3.13Å; R467-E1441 IonicContact CZ-OE2 3.26Å; R467-E1441 IonicContact NH1-OE2 2.78Å; R467-E1441 PolarHBondContact NH1-OE2 3.21Å; R467-E1441 IonicContact NH2-OE2 3.5Å; R467-E1441 PolarHBondContact NH2-OE2 3.44Å |
| 468 | N | 85.3 | Confident | 89.2 | Confident | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -9.5 | 178.3 | -85.5 | -65.1 | 0 | 0 | 0 | 115.3 | S441 L443 K444 N466 | S441-N468 PolarHBondContact O-ND2 3.48Å; L443-N468 CarbonylContact O-C 3.58Å; L443-N468 VanDerWaalsContact O-CB 3.24Å; L443-N468 WeakPolarHBondContact O-CB 3.37Å; K444-N468 HydrophobicContact CG-CB 4Å; N466-N468 VanDerWaalsContact C-N 3.25Å; N466-N468 PolarHBondContact O-N 2.78Å; N466-N468 VanDerWaalsContact O-N 3.14Å |
| 469 | L | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -96.1 | 116.4 | -175 | 174.7 | 63.7 | 0 | 0 | 0 | 110 | L443 K444 L446 F463 N466 V474 N500 G501 | L443-L469 HydrophobicContact CD2-CD2 4.07Å; L443-L469 WeakPolarHBondContact O-CA 3.19Å; L443-L469 WeakPolarHBondContact O-CB 3.49Å; L443-L469 PolarHBondContact O-N 2.75Å; K444-L469 WeakPolarHBondContact O-CD1 3.39Å; L446-L469 HydrophobicContact CD1-CD2 4.38Å; L446-L469 HydrophobicContact CD2-CD2 3.83Å; L446-L469 HydrophobicContact CG-CD1 4.08Å; L446-L469 HydrophobicContact CG-CD2 4.1Å; F463-L469 HydrophobicContact CD1-CD2 4.42Å; N466-L469 HydrophobicContact CB-CB 3.81Å; N466-L469 HydrophobicContact CB-CD2 4.24Å; N466-L469 PolarHBondContact O-N 3.24Å; L469-V474 HydrophobicContact CD1-CG2 4.47Å; L469-V474 HydrophobicContact CD2-CG2 3.74Å; L469-V474 HydrophobicContact CG-CG2 3.82Å; L469-N500 CarbonylContact O-C 3.54Å; L469-N500 VanDerWaalsContact O-CB 3.29Å; L469-N500 WeakPolarHBondContact O-CB 3.26Å; L469-G501 WeakPolarHBondContact O-CA 3.25Å; L469-G501 PolarHBondContact O-N 3.12Å |
| 470 | C | 90 | Very high | 89.6 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -76 | 142.8 | -170.5 | -64.8 | 0 | 0 | 0 | 0 | 114.6 | E472 Y473 V474 C506 | C470-E472 VanDerWaalsContact C-N 3.32Å; C470-E472 WeakPolarHBondContact CB-OE1 3.29Å; C470-E472 PolarHBondContact O-N 3.36Å; C470-Y473 HydrophobicContact CB-CD2 3.81Å; C470-Y473 HydrophobicContact CB-CE2 4.07Å; C470-Y473 HydrophobicContact CB-CG 4.16Å; C470-Y473 WeakPolarHBondContact O-CB 3.34Å; C470-Y473 PolarHBondContact O-N 3.21Å; C470-Y473 VanDerWaalsContact O-N 3.11Å; C470-V474 PolarHBondContact O-N 2.9Å; C470-V474 VanDerWaalsContact O-N 3.11Å; C470-C506 HydrophobicContact CB-CB 3.59Å; C470-C506 WeakPolarHBondContact CB-SG 3.29Å; C470-C506 WeakPolarHBondContact SG-CA 3.33Å; C470-C506 WeakPolarHBondContact SG-CB 3.05Å; C470-C506 CovalentContact SG-SG 2.03Å; C470-C506 PolarHBondContact SG-SG 2.91Å | ||
| 471 | P | 90 | Very high | 89.7 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -31.9 | -172.4 | 27 | -35.1 | 0 | 0 | 0 | 113 | V474 K475 I496 | P471-V474 PolarHBondContact O-N 3.28Å; P471-K475 WeakPolarHBondContact O-CG 3.32Å; P471-K475 PolarHBondContact O-N 2.83Å; P471-I496 HydrophobicContact CB-CG2 4.05Å |
| 472 | E | 88.3 | Confident | 89.6 | Confident | 76 Ų | 76 | 36 Ų | 36 | 36% | 0.355 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -71.3 | -30.8 | 173.9 | 74.8 | -63.6 | 153.1 | 0 | 0 | 112.7 | C470 K475 A476 C506 | C470-E472 VanDerWaalsContact C-N 3.32Å; C470-E472 WeakPolarHBondContact CB-OE1 3.29Å; C470-E472 PolarHBondContact O-N 3.36Å; E472-K475 PolarHBondContact O-N 3.02Å; E472-A476 WeakPolarHBondContact O-CB 3.11Å; E472-A476 PolarHBondContact O-N 2.81Å; E472-C506 WeakPolarHBondContact OE1-CB 3.43Å |
| 473 | Y | 90.4 | Very high | 89.5 | Confident | 108 Ų | 108 | 40 Ų | 40 | 42% | 0.424 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.3 | -37.5 | 170 | -60.1 | -17.6 | 0 | 0 | 0 | 111.7 | C470 F477 | C470-Y473 HydrophobicContact CB-CD2 3.81Å; C470-Y473 HydrophobicContact CB-CE2 4.07Å; C470-Y473 HydrophobicContact CB-CG 4.16Å; C470-Y473 WeakPolarHBondContact O-CB 3.34Å; C470-Y473 PolarHBondContact O-N 3.21Å; C470-Y473 VanDerWaalsContact O-N 3.11Å; Y473-F477 VanDerWaalsContact O-CB 3.31Å; Y473-F477 WeakPolarHBondContact O-CB 3.19Å; Y473-F477 PolarHBondContact O-N 2.98Å |
| 474 | V | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 172.9 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | L446 F463 L469 C470 P471 F477 I478 I496 | L446-V474 HydrophobicContact CD1-CG2 4.36Å; F463-V474 HydrophobicContact CB-CG1 3.9Å; F463-V474 HydrophobicContact CB-CG2 4.49Å; F463-V474 HydrophobicContact CD1-CB 4.46Å; F463-V474 HydrophobicContact CD1-CG1 3.65Å; F463-V474 HydrophobicContact CD1-CG2 3.93Å; F463-V474 HydrophobicContact CD2-CG1 3.68Å; F463-V474 HydrophobicContact CE1-CG1 4Å; F463-V474 HydrophobicContact CE1-CG2 4.47Å; F463-V474 HydrophobicContact CE2-CG1 4.06Å; F463-V474 HydrophobicContact CG-CG1 3.47Å; F463-V474 VanDerWaalsContact CG-CG1 3.47Å; F463-V474 HydrophobicContact CG-CG2 4.36Å; F463-V474 HydrophobicContact CZ-CG1 4.2Å; L469-V474 HydrophobicContact CD1-CG2 4.47Å; L469-V474 HydrophobicContact CD2-CG2 3.74Å; L469-V474 HydrophobicContact CG-CG2 3.82Å; C470-V474 PolarHBondContact O-N 2.9Å; C470-V474 VanDerWaalsContact O-N 3.11Å; P471-V474 PolarHBondContact O-N 3.28Å; V474-F477 PolarHBondContact O-N 2.98Å; V474-I478 HydrophobicContact CG1-CD1 3.83Å; V474-I478 VanDerWaalsContact O-CG1 3.29Å; V474-I478 WeakPolarHBondContact O-CG1 3.32Å; V474-I478 PolarHBondContact O-N 2.82Å; V474-I496 HydrophobicContact CB-CG2 3.98Å; V474-I496 HydrophobicContact CG1-CD1 4.04Å; V474-I496 HydrophobicContact CG1-CG1 3.88Å; V474-I496 HydrophobicContact CG1-CG2 3.86Å |
| 475 | K | 91 | Very high | 88.4 | Confident | 60 Ų | 60 | 44 Ų | 44 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.4 | -77.1 | 176.1 | 169.3 | 172.9 | 0 | 112.3 | P471 E472 I478 H479 I496 D497 | P471-K475 WeakPolarHBondContact O-CG 3.32Å; P471-K475 PolarHBondContact O-N 2.83Å; E472-K475 PolarHBondContact O-N 3.02Å; K475-I478 PolarHBondContact O-N 3.17Å; K475-H479 WeakPolarHBondContact O-CB 3.32Å; K475-H479 PolarHBondContact O-CD2 3.02Å; K475-H479 PolarHBondContact O-N 2.8Å; K475-I496 HydrophobicContact CG-CG2 4.15Å; K475-D497 VanDerWaalsContact CE-OD1 3.29Å; K475-D497 WeakPolarHBondContact CE-OD1 3.44Å; K475-D497 WeakPolarHBondContact CE-OD2 3.13Å; K475-D497 IonicContact NZ-OD1 3.61Å; K475-D497 PolarHBondContact NZ-OD1 2.93Å; K475-D497 IonicContact NZ-OD2 2.82Å; K475-D497 PolarHBondContact NZ-OD2 3.01Å |
| 476 | A | 89.9 | Confident | 88.2 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E472 I478 H479 S480 | E472-A476 WeakPolarHBondContact O-CB 3.11Å; E472-A476 PolarHBondContact O-N 2.81Å; A476-I478 PolarHBondContact O-N 2.79Å; A476-H479 PolarHBondContact O-N 2.67Å; A476-S480 WeakPolarHBondContact O-CB 3.41Å; A476-S480 PolarHBondContact O-N 2.83Å; A476-S480 PolarHBondContact O-OG 2.86Å |
| 477 | F | 92.6 | Very high | 87.9 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 173.6 | 172.8 | -102 | 0 | 0 | 0 | 111.7 | L446 W447 L454 F463 Y473 V474 H479 N481 V482 | L446-F477 HydrophobicContact CB-CD2 4.15Å; L446-F477 HydrophobicContact CB-CG 4.26Å; L446-F477 HydrophobicContact CD1-CB 3.76Å; L446-F477 HydrophobicContact CD1-CD1 3.66Å; L446-F477 HydrophobicContact CD1-CD2 4.4Å; L446-F477 HydrophobicContact CD1-CE1 4.36Å; L446-F477 HydrophobicContact CD1-CG 3.68Å; W447-F477 HydrophobicContact CD2-CE2 4.11Å; W447-F477 HydrophobicContact CD2-CZ 4.08Å; W447-F477 AromaticContact CE2-CZ 3.84Å; W447-F477 HydrophobicContact CE3-CE2 4.44Å; W447-F477 HydrophobicContact CE3-CZ 4.21Å; W447-F477 HydrophobicContact CG-CE2 4.45Å; W447-F477 HydrophobicContact CH2-CE1 4.48Å; W447-F477 AromaticContact CH2-CZ 3.93Å; W447-F477 HydrophobicContact CH2-CZ 3.93Å; W447-F477 AromaticContact CZ2-CZ 3.79Å; W447-F477 HydrophobicContact CZ2-CZ 3.79Å; W447-F477 HydrophobicContact CZ3-CZ 4.13Å; W447-F477 WeakPolarHBondContact O-CE2 3.43Å; L454-F477 HydrophobicContact CD2-CZ 4.35Å; F463-F477 HydrophobicContact CZ-CD1 4.22Å; F463-F477 HydrophobicContact CZ-CE1 4.24Å; Y473-F477 VanDerWaalsContact O-CB 3.31Å; Y473-F477 WeakPolarHBondContact O-CB 3.19Å; Y473-F477 PolarHBondContact O-N 2.98Å; V474-F477 PolarHBondContact O-N 2.98Å; F477-H479 PolarHBondContact O-N 2.82Å; F477-N481 HydrophobicContact CD2-CB 3.9Å; F477-N481 HydrophobicContact CE2-CB 4.17Å; F477-N481 CarbonylContact O-C 3.47Å; F477-N481 WeakPolarHBondContact O-CA 3.15Å; F477-N481 WeakPolarHBondContact O-CB 3.32Å; F477-N481 PolarHBondContact O-N 2.9Å; F477-V482 HydrophobicContact CD1-CG2 3.87Å; F477-V482 HydrophobicContact CE1-CG2 3.48Å; F477-V482 VanDerWaalsContact CE1-CG2 3.48Å; F477-V482 HydrophobicContact CE2-CG2 4.45Å; F477-V482 HydrophobicContact CZ-CG2 3.81Å; F477-V482 PolarHBondContact O-N 3.09Å |
| 478 | I | 91.4 | Very high | 87.9 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 179.5 | -65.9 | 166.4 | 0 | 0 | 0 | 111.8 | F463 V474 K475 A476 L488 I496 | F463-I478 HydrophobicContact CD2-CD1 4.2Å; F463-I478 HydrophobicContact CE2-CD1 3.83Å; F463-I478 HydrophobicContact CE2-CG1 4.25Å; V474-I478 HydrophobicContact CG1-CD1 3.83Å; V474-I478 VanDerWaalsContact O-CG1 3.29Å; V474-I478 WeakPolarHBondContact O-CG1 3.32Å; V474-I478 PolarHBondContact O-N 2.82Å; K475-I478 PolarHBondContact O-N 3.17Å; A476-I478 PolarHBondContact O-N 2.79Å; I478-L488 HydrophobicContact CD1-CD1 4.24Å; I478-L488 HydrophobicContact CD1-CD2 4.41Å; I478-L488 HydrophobicContact CG2-CD1 4.23Å; I478-L488 HydrophobicContact CG2-CD2 4.36Å; I478-L488 HydrophobicContact CG2-CG 4.4Å; I478-I496 HydrophobicContact CD1-CD1 3.71Å |
| 479 | H | 87.6 | Confident | 87.9 | Confident | 141 Ų | 141 | 53 Ų | 53 | 65% | 0.653 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -78.9 | -37.7 | -177 | -75.2 | -143.5 | 0 | 0 | 0 | 113.1 | K475 A476 F477 | K475-H479 WeakPolarHBondContact O-CB 3.32Å; K475-H479 PolarHBondContact O-CD2 3.02Å; K475-H479 PolarHBondContact O-N 2.8Å; A476-H479 PolarHBondContact O-N 2.67Å; F477-H479 PolarHBondContact O-N 2.82Å |
| 480 | S | 87 | Confident | 87.7 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -98.9 | -27.6 | -171.6 | -56.7 | 0 | 0 | 0 | 0 | 113.5 | N453 A476 | N453-S480 PolarHBondContact ND2-O 2.89Å; N453-S480 PolarHBondContact OD1-O 2.94Å; A476-S480 WeakPolarHBondContact O-CB 3.41Å; A476-S480 PolarHBondContact O-N 2.83Å; A476-S480 PolarHBondContact O-OG 2.86Å |
| 481 | N | 88.6 | Confident | 87.4 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -122.4 | -7.4 | -171.1 | -53.3 | 116.5 | 0 | 0 | 0 | 114.5 | I448 P449 N453 L454 F477 | I448-N481 WeakPolarHBondContact CG2-ND2 3.28Å; P449-N481 HydrophobicContact CG-CB 4.27Å; N453-N481 CarbonylContact C-O 3.59Å; N453-N481 VanDerWaalsContact CA-O 3.31Å; N453-N481 WeakPolarHBondContact CA-O 3.45Å; N453-N481 WeakPolarHBondContact CB-O 3.49Å; L454-N481 PolarHBondContact N-O 2.86Å; F477-N481 HydrophobicContact CD2-CB 3.9Å; F477-N481 HydrophobicContact CE2-CB 4.17Å; F477-N481 CarbonylContact O-C 3.47Å; F477-N481 WeakPolarHBondContact O-CA 3.15Å; F477-N481 WeakPolarHBondContact O-CB 3.32Å; F477-N481 PolarHBondContact O-N 2.9Å |
| 482 | V | 89 | Confident | 87.4 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.2 | 177.3 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | L454 I456 F477 L484 | L454-V482 HydrophobicContact CB-CG2 4.35Å; L454-V482 HydrophobicContact CD2-CG2 4.19Å; L454-V482 CarbonylContact O-C 3.53Å; L454-V482 WeakPolarHBondContact O-CA 3.47Å; L454-V482 WeakPolarHBondContact O-CG1 3.37Å; I456-V482 HydrophobicContact CB-CG1 4.43Å; I456-V482 HydrophobicContact CD1-CG1 3.73Å; I456-V482 HydrophobicContact CG1-CG1 3.88Å; F477-V482 HydrophobicContact CD1-CG2 3.87Å; F477-V482 HydrophobicContact CE1-CG2 3.48Å; F477-V482 VanDerWaalsContact CE1-CG2 3.48Å; F477-V482 HydrophobicContact CE2-CG2 4.45Å; F477-V482 HydrophobicContact CZ-CG2 3.81Å; F477-V482 PolarHBondContact O-N 3.09Å; V482-L484 HydrophobicContact CG1-CB 4.42Å |
| 483 | N | 89.7 | Confident | 87.5 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 95 | 167.2 | -171.4 | -9.2 | 0 | 0 | 0 | 108.3 | L454 I455 I456 | L454-N483 PolarHBondContact O-N 3.31Å; I455-N483 WeakPolarHBondContact CA-O 3.49Å; I455-N483 HydrophobicContact CG1-CB 4.41Å; I456-N483 PolarHBondContact N-O 3.34Å |
| 484 | L | 84.8 | Confident | 87.3 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 129.8 | 179 | -172.5 | 64.9 | 0 | 0 | 0 | 109.3 | I456 V461 V482 R486 L488 | I456-L484 HydrophobicContact CB-CD1 3.78Å; I456-L484 HydrophobicContact CG2-CD1 3.71Å; V461-L484 HydrophobicContact CG1-CD1 4.12Å; V461-L484 HydrophobicContact CG2-CD2 4.35Å; V482-L484 HydrophobicContact CG1-CB 4.42Å; L484-R486 HydrophobicContact CD2-CG 4.43Å; L484-R486 WeakPolarHBondContact CD2-O 3.33Å; L484-R486 HydrophobicContact CG-CG 4.17Å; L484-R486 VanDerWaalsContact CG-O 3.3Å; L484-R486 WeakPolarHBondContact CG-O 3.2Å; L484-R486 PolarHBondContact O-N 2.99Å; L484-L488 HydrophobicContact CD2-CD2 3.94Å |
| 485 | S | 76 | Confident | 87.1 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 56% | 0.559 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -65.9 | 2.8 | -176.2 | 60.3 | 0 | 0 | 0 | 0 | 116.1 | I456 K457 | I456-S485 PolarHBondContact O-N 3.17Å; K457-S485 VanDerWaalsContact O-CB 3.3Å; K457-S485 WeakPolarHBondContact O-CB 3.39Å; K457-S485 PolarHBondContact O-OG 3.47Å |
| 486 | R | 83 | Confident | 87.1 | Confident | 80 Ų | 80 | 59 Ų | 59 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -156.9 | 164 | -177.2 | 58.4 | 168.8 | -172 | 87.9 | 5 | 109.3 | G459 L484 E492 | G459-R486 PolarHBondContact O-NE 3.24Å; G459-R486 VanDerWaalsContact O-NE 3.16Å; G459-R486 PolarHBondContact O-NH2 3.23Å; L484-R486 HydrophobicContact CD2-CG 4.43Å; L484-R486 WeakPolarHBondContact CD2-O 3.33Å; L484-R486 HydrophobicContact CG-CG 4.17Å; L484-R486 VanDerWaalsContact CG-O 3.3Å; L484-R486 WeakPolarHBondContact CG-O 3.2Å; L484-R486 PolarHBondContact O-N 2.99Å; R486-E492 IonicContact CZ-OE1 2.68Å; R486-E492 IonicContact CZ-OE2 3.45Å; R486-E492 IonicContact NH1-OE1 3.02Å; R486-E492 IonicContact NH1-OE2 3.86Å; R486-E492 PolarHBondContact NH1-OE2 3.11Å; R486-E492 IonicContact NH2-OE1 3.93Å; R486-E492 PolarHBondContact NH2-OE1 3.36Å; R486-E492 IonicContact NH2-OE2 2.71Å; R486-E492 PolarHBondContact NH2-OE2 2.93Å |
| 487 | N | 83.5 | Confident | 86.9 | Confident | 150 Ų | 150 | 60 Ų | 60 | 80% | 0.802 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 155.3 | 167.6 | -64.7 | -13.4 | 0 | 0 | 0 | 111.2 | ||
| 488 | L | 85.5 | Confident | 86.5 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 20% | 0.199 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 139.2 | 165 | -66.1 | 176.9 | 0 | 0 | 0 | 109.7 | V461 I478 L484 E492 I496 | V461-L488 HydrophobicContact CG2-CD2 3.38Å; I478-L488 HydrophobicContact CD1-CD1 4.24Å; I478-L488 HydrophobicContact CD1-CD2 4.41Å; I478-L488 HydrophobicContact CG2-CD1 4.23Å; I478-L488 HydrophobicContact CG2-CD2 4.36Å; I478-L488 HydrophobicContact CG2-CG 4.4Å; L484-L488 HydrophobicContact CD2-CD2 3.94Å; L488-E492 HydrophobicContact CB-CB 4.48Å; L488-E492 HydrophobicContact CD2-CB 4.26Å; L488-I496 HydrophobicContact CD1-CD1 3.95Å |
| 489 | S | 86 | Confident | 86.2 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 155.9 | 169.7 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | L491 E492 S493 | S489-L491 PolarHBondContact O-N 2.92Å; S489-L491 VanDerWaalsContact O-N 3.14Å; S489-E492 WeakPolarHBondContact CB-OE2 3.43Å; S489-E492 PolarHBondContact N-OE2 3.35Å; S489-E492 WeakPolarHBondContact O-CA 3.35Å; S489-E492 PolarHBondContact O-N 2.98Å; S489-E492 VanDerWaalsContact OG-CD 3.29Å; S489-E492 WeakPolarHBondContact OG-CG 3.49Å; S489-E492 PolarHBondContact OG-OE2 2.82Å; S489-S493 PolarHBondContact O-N 3.46Å |
| 490 | N | 86.3 | Confident | 86.1 | Confident | 141 Ų | 141 | 59.2 Ų | 59.2 | 75% | 0.754 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -53.1 | -38.8 | 179.3 | -61.7 | 14.1 | 0 | 0 | 0 | 111.9 | E492 S493 D494 | N490-E492 PolarHBondContact O-N 3.33Å; N490-S493 PolarHBondContact O-N 2.74Å; N490-D494 VanDerWaalsContact O-CB 3.26Å; N490-D494 WeakPolarHBondContact O-CB 3.24Å; N490-D494 PolarHBondContact O-N 3.34Å |
| 491 | L | 83.8 | Confident | 85.9 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 175.9 | -179.7 | 62.4 | 0 | 0 | 0 | 113 | S489 L495 | S489-L491 PolarHBondContact O-N 2.92Å; S489-L491 VanDerWaalsContact O-N 3.14Å; L491-L495 HydrophobicContact CD1-CD1 4.33Å; L491-L495 HydrophobicContact CD1-CG 4.41Å; L491-L495 HydrophobicContact CG-CD1 4.2Å; L491-L495 WeakPolarHBondContact O-CB 3.35Å; L491-L495 WeakPolarHBondContact O-CD1 3.37Å; L491-L495 WeakPolarHBondContact O-CG 3.48Å; L491-L495 PolarHBondContact O-N 2.74Å |
| 492 | E | 89.2 | Confident | 85.2 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.6 | -41.7 | 177.4 | -68.2 | 164.5 | 128.5 | 0 | 0 | 111.1 | R460 V461 R486 L488 S489 N490 L495 I496 | R460-E492 VanDerWaalsContact CA-OE1 3.31Å; R460-E492 WeakPolarHBondContact CA-OE1 3.22Å; R460-E492 WeakPolarHBondContact CB-OE1 3.46Å; R460-E492 WeakPolarHBondContact CG-OE1 3.45Å; V461-E492 PolarHBondContact N-OE1 3.01Å; V461-E492 WeakPolarHBondContact O-CG 3.14Å; R486-E492 IonicContact CZ-OE1 2.68Å; R486-E492 IonicContact CZ-OE2 3.45Å; R486-E492 IonicContact NH1-OE1 3.02Å; R486-E492 IonicContact NH1-OE2 3.86Å; R486-E492 PolarHBondContact NH1-OE2 3.11Å; R486-E492 IonicContact NH2-OE1 3.93Å; R486-E492 PolarHBondContact NH2-OE1 3.36Å; R486-E492 IonicContact NH2-OE2 2.71Å; R486-E492 PolarHBondContact NH2-OE2 2.93Å; L488-E492 HydrophobicContact CB-CB 4.48Å; L488-E492 HydrophobicContact CD2-CB 4.26Å; S489-E492 WeakPolarHBondContact CB-OE2 3.43Å; S489-E492 PolarHBondContact N-OE2 3.35Å; S489-E492 WeakPolarHBondContact O-CA 3.35Å; S489-E492 PolarHBondContact O-N 2.98Å; S489-E492 VanDerWaalsContact OG-CD 3.29Å; S489-E492 WeakPolarHBondContact OG-CG 3.49Å; S489-E492 PolarHBondContact OG-OE2 2.82Å; N490-E492 PolarHBondContact O-N 3.33Å; E492-L495 PolarHBondContact O-N 2.96Å; E492-I496 WeakPolarHBondContact O-CD1 3.42Å; E492-I496 VanDerWaalsContact O-CG1 3.22Å; E492-I496 WeakPolarHBondContact O-CG1 3.5Å; E492-I496 PolarHBondContact O-N 2.93Å |
| 493 | S | 89.9 | Confident | 84.4 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 172.9 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | S489 N490 L495 I496 D497 | S489-S493 PolarHBondContact O-N 3.46Å; N490-S493 PolarHBondContact O-N 2.74Å; S493-L495 VanDerWaalsContact C-N 3.32Å; S493-L495 PolarHBondContact O-N 3.31Å; S493-I496 WeakPolarHBondContact O-CB 3.45Å; S493-I496 PolarHBondContact O-N 2.99Å; S493-D497 WeakPolarHBondContact O-CB 3.13Å; S493-D497 PolarHBondContact O-N 2.86Å; S493-D497 VanDerWaalsContact O-OD2 3.1Å; S493-D497 PolarHBondContact OG-OD2 2.89Å; S493-D497 VanDerWaalsContact OG-OD2 3.14Å |
| 494 | D | 87 | Confident | 83.4 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 176.1 | -98.9 | 13.6 | 0 | 0 | 0 | 111.8 | N490 K498 | N490-D494 VanDerWaalsContact O-CB 3.26Å; N490-D494 WeakPolarHBondContact O-CB 3.24Å; N490-D494 PolarHBondContact O-N 3.34Å; D494-K498 HydrophobicContact CB-CD 4.14Å; D494-K498 WeakPolarHBondContact O-CB 3.47Å; D494-K498 WeakPolarHBondContact O-CG 3.28Å; D494-K498 PolarHBondContact O-N 2.77Å; D494-K498 WeakPolarHBondContact OD1-CE 3.32Å; D494-K498 IonicContact OD1-NZ 3.45Å; D494-K498 PolarHBondContact OD1-NZ 2.76Å; D494-K498 IonicContact OD2-NZ 3.9Å; D494-K498 PolarHBondContact OD2-NZ 3.39Å |
| 495 | L | 87.3 | Confident | 83 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.7 | -77.1 | 167.9 | 0 | 0 | 0 | 111.7 | L491 E492 S493 S499 N500 | L491-L495 HydrophobicContact CD1-CD1 4.33Å; L491-L495 HydrophobicContact CD1-CG 4.41Å; L491-L495 HydrophobicContact CG-CD1 4.2Å; L491-L495 WeakPolarHBondContact O-CB 3.35Å; L491-L495 WeakPolarHBondContact O-CD1 3.37Å; L491-L495 WeakPolarHBondContact O-CG 3.48Å; L491-L495 PolarHBondContact O-N 2.74Å; E492-L495 PolarHBondContact O-N 2.96Å; S493-L495 VanDerWaalsContact C-N 3.32Å; S493-L495 PolarHBondContact O-N 3.31Å; L495-S499 PolarHBondContact O-N 3.28Å; L495-S499 PolarHBondContact O-OG 2.8Å; L495-N500 PolarHBondContact O-ND2 3.16Å; L495-N500 VanDerWaalsContact O-ND2 3.13Å |
| 496 | I | 90.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57 | -57 | 174.7 | -69 | 162.3 | 0 | 0 | 0 | 109.9 | F463 P471 V474 K475 I478 L488 E492 S493 N500 | F463-I496 HydrophobicContact CB-CG1 4.16Å; P471-I496 HydrophobicContact CB-CG2 4.05Å; V474-I496 HydrophobicContact CB-CG2 3.98Å; V474-I496 HydrophobicContact CG1-CD1 4.04Å; V474-I496 HydrophobicContact CG1-CG1 3.88Å; V474-I496 HydrophobicContact CG1-CG2 3.86Å; K475-I496 HydrophobicContact CG-CG2 4.15Å; I478-I496 HydrophobicContact CD1-CD1 3.71Å; L488-I496 HydrophobicContact CD1-CD1 3.95Å; E492-I496 WeakPolarHBondContact O-CD1 3.42Å; E492-I496 VanDerWaalsContact O-CG1 3.22Å; E492-I496 WeakPolarHBondContact O-CG1 3.5Å; E492-I496 PolarHBondContact O-N 2.93Å; S493-I496 WeakPolarHBondContact O-CB 3.45Å; S493-I496 PolarHBondContact O-N 2.99Å; I496-N500 WeakPolarHBondContact CA-ND2 3.43Å; I496-N500 PolarHBondContact O-ND2 3.43Å |
| 497 | D | 87.2 | Confident | 82.9 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.9 | -34 | -173.1 | -69.8 | -46.7 | 0 | 0 | 0 | 114.2 | K475 S493 | K475-D497 VanDerWaalsContact CE-OD1 3.29Å; K475-D497 WeakPolarHBondContact CE-OD1 3.44Å; K475-D497 WeakPolarHBondContact CE-OD2 3.13Å; K475-D497 IonicContact NZ-OD1 3.61Å; K475-D497 PolarHBondContact NZ-OD1 2.93Å; K475-D497 IonicContact NZ-OD2 2.82Å; K475-D497 PolarHBondContact NZ-OD2 3.01Å; S493-D497 WeakPolarHBondContact O-CB 3.13Å; S493-D497 PolarHBondContact O-N 2.86Å; S493-D497 VanDerWaalsContact O-OD2 3.1Å; S493-D497 PolarHBondContact OG-OD2 2.89Å; S493-D497 VanDerWaalsContact OG-OD2 3.14Å |
| 498 | K | 83.8 | Confident | 82.5 | Confident | 121 Ų | 121 | 53.1 Ų | 53.1 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -97 | -3.2 | -169.2 | -62.5 | 172.8 | 180 | 178.1 | 0 | 114.8 | D494 | D494-K498 HydrophobicContact CB-CD 4.14Å; D494-K498 WeakPolarHBondContact O-CB 3.47Å; D494-K498 WeakPolarHBondContact O-CG 3.28Å; D494-K498 PolarHBondContact O-N 2.77Å; D494-K498 WeakPolarHBondContact OD1-CE 3.32Å; D494-K498 IonicContact OD1-NZ 3.45Å; D494-K498 PolarHBondContact OD1-NZ 2.76Å; D494-K498 IonicContact OD2-NZ 3.9Å; D494-K498 PolarHBondContact OD2-NZ 3.39Å |
| 499 | S | 84 | Confident | 82.4 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 12% | 0.119 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -140.7 | -11.7 | -172.6 | 77.8 | 0 | 0 | 0 | 0 | 116.8 | T464 L465 L495 | T464-S499 VanDerWaalsContact CA-OG 3.3Å; T464-S499 WeakPolarHBondContact CA-OG 3.3Å; T464-S499 PolarHBondContact OG1-OG 3.07Å; L465-S499 VanDerWaalsContact CA-O 3.25Å; L465-S499 WeakPolarHBondContact CA-O 3.48Å; L465-S499 PolarHBondContact N-O 3.2Å; L465-S499 PolarHBondContact N-OG 3.16Å; L465-S499 VanDerWaalsContact N-OG 3.13Å; L495-S499 PolarHBondContact O-N 3.28Å; L495-S499 PolarHBondContact O-OG 2.8Å |
| 500 | N | 86.6 | Confident | 82.4 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -105.4 | 155.5 | 177.3 | -52.1 | -86 | 0 | 0 | 0 | 109.5 | F463 T464 N466 L469 L495 I496 A502 | F463-N500 PolarHBondContact O-ND2 3.42Å; T464-N500 PolarHBondContact N-OD1 2.82Å; N466-N500 WeakPolarHBondContact CB-OD1 3.5Å; N466-N500 PolarHBondContact N-OD1 2.92Å; N466-N500 PolarHBondContact ND2-OD1 3.27Å; L469-N500 CarbonylContact O-C 3.54Å; L469-N500 VanDerWaalsContact O-CB 3.29Å; L469-N500 WeakPolarHBondContact O-CB 3.26Å; L495-N500 PolarHBondContact O-ND2 3.16Å; L495-N500 VanDerWaalsContact O-ND2 3.13Å; I496-N500 WeakPolarHBondContact CA-ND2 3.43Å; I496-N500 PolarHBondContact O-ND2 3.43Å; N500-A502 PolarHBondContact O-N 3.41Å |
| 501 | G | 81.7 | Confident | 82.4 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 72.7 | 6.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N466 R467 L469 I503 G504 S621 | N466-G501 PolarHBondContact O-N 2.74Å; R467-G501 CarbonylContact O-C 3.51Å; R467-G501 WeakPolarHBondContact O-CA 3.42Å; L469-G501 WeakPolarHBondContact O-CA 3.25Å; L469-G501 PolarHBondContact O-N 3.12Å; G501-I503 PolarHBondContact O-N 3.26Å; G501-I503 VanDerWaalsContact O-N 3.08Å; G501-G504 PolarHBondContact O-N 2.89Å; G501-S621 PolarHBondContact O-OG 3.01Å |
| 502 | A | 75 | Confident | 82.6 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -59.5 | -17.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R467 N500 | R467-A502 PolarHBondContact O-N 2.82Å; R467-A502 VanDerWaalsContact O-N 3.07Å; N500-A502 PolarHBondContact O-N 3.41Å |
| 503 | I | 71.6 | Confident | 82.6 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 40% | 0.4 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -132.5 | 0.7 | 169 | 74.1 | -171.2 | 0 | 0 | 0 | 112.9 | R467 G501 | R467-I503 HydrophobicContact CB-CD1 3.76Å; R467-I503 HydrophobicContact CB-CG1 3.78Å; R467-I503 PolarHBondContact O-N 3.1Å; G501-I503 PolarHBondContact O-N 3.26Å; G501-I503 VanDerWaalsContact O-N 3.08Å |
| 504 | G | 69.1 | Low | 82.7 | Confident | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -79.9 | 152.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R467 G501 C506 S621 | R467-G504 PolarHBondContact O-N 3.13Å; G501-G504 PolarHBondContact O-N 2.89Å; G504-C506 PolarHBondContact O-N 3.49Å; G504-S621 WeakPolarHBondContact O-CB 3.47Å |
| 505 | L | 75.2 | Confident | 82.9 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | trans | -85.1 | 99.1 | 170.3 | -83.8 | -176.1 | 0 | 0 | 0 | 110.4 | T508 E614 R616 E622 | L505-T508 HydrophobicContact CB-CG2 3.69Å; L505-T508 HydrophobicContact CD1-CG2 4.07Å; L505-T508 HydrophobicContact CG-CG2 4.38Å; L505-E614 HydrophobicContact CD1-CG 3.54Å; L505-E614 WeakPolarHBondContact CD1-OE1 3.49Å; L505-R616 HydrophobicContact CD2-CG 3.96Å; L505-R616 HydrophobicContact CG-CG 4.2Å; L505-E622 WeakPolarHBondContact CD2-O 3.14Å | ||
| 506 | C | 79.1 | Confident | 83 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -96.5 | -26.5 | -176 | -51 | 0 | 0 | 0 | 0 | 112.3 | C470 E472 G504 S621 | C470-C506 HydrophobicContact CB-CB 3.59Å; C470-C506 WeakPolarHBondContact CB-SG 3.29Å; C470-C506 WeakPolarHBondContact SG-CA 3.33Å; C470-C506 WeakPolarHBondContact SG-CB 3.05Å; C470-C506 CovalentContact SG-SG 2.03Å; C470-C506 PolarHBondContact SG-SG 2.91Å; E472-C506 WeakPolarHBondContact OE1-CB 3.43Å; G504-C506 PolarHBondContact O-N 3.49Å; C506-S621 PolarHBondContact N-O 3.12Å; C506-S621 VanDerWaalsContact SG-CB 3.59Å |
| 507 | R | 77.6 | Confident | 82.9 | Confident | 157 Ų | 157 | 60.1 Ų | 60.1 | 59% | 0.592 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 94.8 | 171.5 | -64.4 | 173.7 | -178.5 | 172.2 | 3.1 | 110.2 | S621 E622 G623 | R507-S621 PolarHBondContact N-O 2.76Å; R507-S621 VanDerWaalsContact N-O 3.14Å; R507-E622 HydrophobicContact CB-CB 4.24Å; R507-E622 HydrophobicContact CB-CG 4.03Å; R507-E622 WeakPolarHBondContact CD-OE1 3.31Å; R507-E622 IonicContact CZ-OE1 3.11Å; R507-E622 IonicContact NE-OE1 3.3Å; R507-E622 IonicContact NH1-OE1 2.71Å; R507-E622 PolarHBondContact NH1-OE1 3.39Å; R507-E622 CarbonylContact O-C 3.53Å; R507-E622 WeakPolarHBondContact O-CA 3.49Å; R507-G623 PolarHBondContact O-N 2.93Å |
| 508 | T | 75.6 | Confident | 83 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.4 | -178 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | L505 | L505-T508 HydrophobicContact CB-CG2 3.69Å; L505-T508 HydrophobicContact CD1-CG2 4.07Å; L505-T508 HydrophobicContact CG-CG2 4.38Å |
| 509 | H | 83.4 | Confident | 83.2 | Confident | 96 Ų | 96 | 55.1 Ų | 55.1 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 155.2 | 158.6 | -60.9 | -81.3 | 0 | 0 | 0 | 110.9 | P531 G623 A624 L625 | H509-P531 HydrophobicContact CB-CB 4.38Å; H509-P531 HydrophobicContact CB-CG 3.45Å; H509-P531 VanDerWaalsContact CB-CG 3.45Å; H509-G623 PolarHBondContact CD2-O 3.36Å; H509-G623 PolarHBondContact N-O 3.47Å; H509-A624 HydrophobicContact CB-CB 4.04Å; H509-A624 CarbonylContact O-C 3.45Å; H509-A624 WeakPolarHBondContact O-CA 3.36Å; H509-L625 PolarHBondContact O-N 3.02Å |
| 510 | R | 85.2 | Confident | 83.3 | Confident | 136 Ų | 136 | 55.5 Ų | 55.5 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.8 | 178.3 | 178.1 | 177.9 | 166.5 | 124 | 2.4 | 111.2 | N529 L625 E627 | R510-N529 PolarHBondContact O-ND2 2.84Å; R510-L625 WeakPolarHBondContact CA-O 3.4Å; R510-E627 VanDerWaalsContact CZ-CD 3.42Å; R510-E627 IonicContact CZ-OE1 3.4Å; R510-E627 VanDerWaalsContact CZ-OE1 3.23Å; R510-E627 IonicContact CZ-OE2 3.15Å; R510-E627 VanDerWaalsContact NH1-CD 3.28Å; R510-E627 IonicContact NH1-OE1 2.72Å; R510-E627 PolarHBondContact NH1-OE1 3.11Å; R510-E627 IonicContact NH1-OE2 3.17Å; R510-E627 IonicContact NH2-OE1 3.48Å; R510-E627 PolarHBondContact NH2-OE1 3.33Å; R510-E627 VanDerWaalsContact NH2-OE1 3.09Å; R510-E627 IonicContact NH2-OE2 2.68Å; R510-E627 PolarHBondContact NH2-OE2 2.82Å |
| 511 | L | 87.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.8 | 172.5 | -60.7 | 177 | 0 | 0 | 0 | 110.7 | I527 V613 I615 A624 L625 S626 | L511-I527 HydrophobicContact CB-CG2 4.41Å; L511-I527 HydrophobicContact CD2-CG2 3.9Å; L511-V613 HydrophobicContact CD1-CB 4.35Å; L511-V613 HydrophobicContact CD1-CG1 3.77Å; L511-I615 HydrophobicContact CD1-CD1 3.88Å; L511-I615 HydrophobicContact CD1-CG1 4.01Å; L511-I615 HydrophobicContact CD2-CD1 4.29Å; L511-A624 HydrophobicContact CD1-CB 3.95Å; L511-A624 HydrophobicContact CD2-CB 3.5Å; L511-A624 VanDerWaalsContact CD2-CB 3.5Å; L511-A624 HydrophobicContact CG-CB 3.55Å; L511-L625 PolarHBondContact N-O 3.39Å; L511-S626 WeakPolarHBondContact O-CA 3.43Å |
| 512 | N | 88.4 | Confident | 83.8 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 132.9 | 169 | -60.7 | -24.4 | 0 | 0 | 0 | 108.7 | I528 N529 | N512-I528 PolarHBondContact O-N 3.48Å; N512-N529 WeakPolarHBondContact CB-OD1 3.47Å; N512-N529 PolarHBondContact N-OD1 3.15Å |
| 513 | L | 89.8 | Confident | 84.6 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 150.5 | -175.5 | -54.6 | 178.8 | 0 | 0 | 0 | 110.6 | F525 T526 I527 V613 F629 | L513-F525 HydrophobicContact CD2-CD2 4.13Å; L513-F525 HydrophobicContact CD2-CE2 4.33Å; L513-T526 CarbonylContact C-O 3.5Å; L513-T526 WeakPolarHBondContact CA-O 3.32Å; L513-I527 HydrophobicContact CD2-CB 4.15Å; L513-I527 HydrophobicContact CD2-CG1 3.73Å; L513-I527 HydrophobicContact CD2-CG2 4.18Å; L513-V613 HydrophobicContact CD1-CB 4.12Å; L513-V613 HydrophobicContact CD1-CG2 3.56Å; L513-V613 HydrophobicContact CD2-CB 4.39Å; L513-V613 HydrophobicContact CD2-CG2 4.07Å; L513-V613 HydrophobicContact CG-CG2 4.48Å; L513-F629 HydrophobicContact CD1-CD1 3.61Å; L513-F629 HydrophobicContact CD1-CE1 3.43Å; L513-F629 VanDerWaalsContact CD1-CE1 3.43Å; L513-F629 HydrophobicContact CD1-CZ 4.28Å |
| 514 | S | 90.6 | Very high | 85.5 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 34% | 0.336 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.5 | 165.2 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | N516 F525 T526 | S514-N516 PolarHBondContact O-N 3.17Å; S514-F525 CarbonylContact O-C 3.6Å; S514-F525 WeakPolarHBondContact O-CA 3.21Å; S514-F525 WeakPolarHBondContact O-CB 3.43Å; S514-T526 PolarHBondContact N-O 2.95Å; S514-T526 PolarHBondContact O-N 2.71Å |
| 515 | I | 91.7 | Very high | 86.6 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 129.5 | 174.1 | -58.6 | 176.4 | 0 | 0 | 0 | 108.6 | V518 V523 F629 F631 | I515-V518 HydrophobicContact CG2-CG2 3.93Å; I515-V523 HydrophobicContact CG2-CG2 4.03Å; I515-F629 HydrophobicContact CD1-CD2 4.1Å; I515-F629 HydrophobicContact CG1-CD2 4.45Å; I515-F631 HydrophobicContact CD1-CB 4.11Å |
| 516 | N | 88.6 | Confident | 87.4 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -48.6 | -179.3 | -56.6 | -35.2 | 0 | 0 | 0 | 110.9 | S514 S524 F525 T526 | S514-N516 PolarHBondContact O-N 3.17Å; N516-S524 PolarHBondContact N-O 3.1Å; N516-S524 PolarHBondContact ND2-OG 2.91Å; N516-F525 WeakPolarHBondContact ND2-CA 3.16Å; N516-F525 PolarHBondContact ND2-O 3.39Å; N516-T526 VanDerWaalsContact CG-OG1 3.27Å; N516-T526 PolarHBondContact ND2-OG1 3.16Å; N516-T526 PolarHBondContact OD1-OG1 2.68Å |
| 517 | Y | 88.9 | Confident | 87.9 | Confident | 90 Ų | 90 | 51.1 Ų | 51.1 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 157.4 | -179.2 | 52.6 | -101.4 | 0 | 0 | 0 | 111 | H519 S524 E599 | Y517-H519 AromaticContact CD2-CD2 3.44Å; Y517-H519 VanDerWaalsContact CD2-CD2 3.44Å; Y517-H519 WeakPolarHBondContact CD2-CD2 3.28Å; Y517-H519 AromaticContact CD2-NE2 3.3Å; Y517-H519 VanDerWaalsContact CD2-NE2 3.3Å; Y517-H519 WeakPolarHBondContact CD2-NE2 3.34Å; Y517-H519 AromaticContact CE2-CD2 3.67Å; Y517-H519 AromaticContact CE2-NE2 3.53Å; Y517-S524 VanDerWaalsContact CE2-CB 3.4Å; Y517-S524 PolarHBondContact N-O 2.73Å; Y517-S524 PolarHBondContact O-N 3.31Å; Y517-E599 PolarHBondContact OH-OE1 3.48Å |
| 518 | V | 90.8 | Very high | 88.3 | Confident | 28 Ų | 28 | 47 Ų | 47 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135.2 | 173.8 | -162.6 | 0 | 0 | 0 | 0 | 109.6 | I515 V523 F631 Q632 T633 K634 | I515-V518 HydrophobicContact CG2-CG2 3.93Å; V518-V523 HydrophobicContact CG1-CB 4.33Å; V518-V523 HydrophobicContact CG2-CG2 4.08Å; V518-F631 HydrophobicContact CG1-CD2 4.17Å; V518-Q632 WeakPolarHBondContact CG1-O 3.4Å; V518-T633 HydrophobicContact CG1-CG2 4.45Å; V518-K634 WeakPolarHBondContact O-CE 3.33Å; V518-K634 PolarHBondContact O-NZ 2.76Å; V518-K634 VanDerWaalsContact O-NZ 3.14Å |
| 519 | H | 88.1 | Confident | 88.7 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 27% | 0.269 | 22% | 0.221 | S | C | . | . | trans | -113.5 | -169.7 | 176.3 | -68 | -74.8 | 0 | 0 | 0 | 110.6 | Y517 R521 S522 T633 K634 | Y517-H519 AromaticContact CD2-CD2 3.44Å; Y517-H519 VanDerWaalsContact CD2-CD2 3.44Å; Y517-H519 WeakPolarHBondContact CD2-CD2 3.28Å; Y517-H519 AromaticContact CD2-NE2 3.3Å; Y517-H519 VanDerWaalsContact CD2-NE2 3.3Å; Y517-H519 WeakPolarHBondContact CD2-NE2 3.34Å; Y517-H519 AromaticContact CE2-CD2 3.67Å; Y517-H519 AromaticContact CE2-NE2 3.53Å; H519-R521 VanDerWaalsContact C-N 3.32Å; H519-R521 PolarHBondContact O-N 3.34Å; H519-S522 PolarHBondContact N-O 3.19Å; H519-T633 WeakPolarHBondContact O-CA 3.45Å; H519-K634 PolarHBondContact O-N 3.44Å | ||
| 520 | Q | 85.8 | Confident | 88.3 | Confident | 25 Ų | 25 | 42 Ų | 42 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -64.8 | -33.7 | 175.7 | -57.2 | 95.6 | -42.5 | 0 | 0 | 113.4 | P605 T633 K634 Q635 D636 I895 N896 | Q520-P605 VanDerWaalsContact O-CA 3.28Å; Q520-P605 WeakPolarHBondContact O-CA 3.45Å; Q520-T633 WeakPolarHBondContact O-CB 3.4Å; Q520-K634 WeakPolarHBondContact CA-O 3.31Å; Q520-K634 HydrophobicContact CG-CB 4.13Å; Q520-Q635 WeakPolarHBondContact CG-O 3.45Å; Q520-D636 HydrophobicContact CB-CB 4.02Å; Q520-D636 HydrophobicContact CG-CB 4.02Å; Q520-I895 PolarHBondContact NE2-O 2.87Å; Q520-N896 VanDerWaalsContact CD-C 3.49Å; Q520-N896 PolarHBondContact OE1-O 3.26Å |
| 521 | R | 88 | Confident | 87.8 | Confident | 81 Ų | 81 | 36.8 Ų | 36.8 | 31% | 0.306 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -134.9 | 8.9 | -170 | -60.7 | -174.9 | 178.5 | -89.9 | -2.4 | 114.3 | H519 Y602 L603 P605 D636 | H519-R521 VanDerWaalsContact C-N 3.32Å; H519-R521 PolarHBondContact O-N 3.34Å; R521-Y602 PolarHBondContact O-N 2.98Å; R521-L603 WeakPolarHBondContact CA-O 3.41Å; R521-L603 WeakPolarHBondContact CG-O 3.26Å; R521-L603 PolarHBondContact O-N 3.5Å; R521-L603 VanDerWaalsContact O-N 3.15Å; R521-P605 HydrophobicContact CG-CG 4.15Å; R521-D636 IonicContact CZ-OD2 3.3Å; R521-D636 IonicContact NE-OD2 2.71Å; R521-D636 PolarHBondContact NE-OD2 3Å; R521-D636 IonicContact NH2-OD2 2.77Å; R521-D636 PolarHBondContact NH2-OD2 3.09Å |
| 522 | S | 89.4 | Confident | 86.9 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 160 | 180 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | H519 V600 N601 | H519-S522 PolarHBondContact N-O 3.19Å; S522-V600 CarbonylContact C-O 3.58Å; S522-V600 WeakPolarHBondContact CA-O 3.13Å; S522-V600 WeakPolarHBondContact CB-O 3.4Å; S522-N601 WeakPolarHBondContact CB-OD1 3.47Å |
| 523 | V | 92.2 | Very high | 86 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.3 | 171.2 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | I515 V518 E599 V600 L603 F631 | I515-V523 HydrophobicContact CG2-CG2 4.03Å; V518-V523 HydrophobicContact CG1-CB 4.33Å; V518-V523 HydrophobicContact CG2-CG2 4.08Å; V523-E599 WeakPolarHBondContact O-CA 3.44Å; V523-V600 HydrophobicContact CG1-CB 3.95Å; V523-V600 PolarHBondContact N-O 3.5Å; V523-V600 PolarHBondContact O-N 2.88Å; V523-L603 HydrophobicContact CG1-CD1 4Å; V523-F631 HydrophobicContact CB-CD2 4.24Å; V523-F631 HydrophobicContact CB-CE2 3.97Å; V523-F631 HydrophobicContact CB-CZ 4.34Å; V523-F631 HydrophobicContact CG1-CD2 4.41Å; V523-F631 HydrophobicContact CG1-CE1 4.22Å; V523-F631 HydrophobicContact CG1-CE2 3.75Å; V523-F631 HydrophobicContact CG1-CZ 3.64Å; V523-F631 HydrophobicContact CG2-CD2 4.37Å; V523-F631 HydrophobicContact CG2-CE2 4.5Å |
| 524 | S | 91.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.6 | 167.8 | -178 | 0 | 0 | 0 | 0 | 110.8 | N516 Y517 C598 | N516-S524 PolarHBondContact N-O 3.1Å; N516-S524 PolarHBondContact ND2-OG 2.91Å; Y517-S524 VanDerWaalsContact CE2-CB 3.4Å; Y517-S524 PolarHBondContact N-O 2.73Å; Y517-S524 PolarHBondContact O-N 3.31Å; S524-C598 WeakPolarHBondContact CA-O 3.2Å; S524-C598 WeakPolarHBondContact CB-O 3.46Å; S524-C598 PolarHBondContact OG-O 3.13Å |
| 525 | F | 92.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.6 | 175 | 60.8 | -95.8 | 0 | 0 | 0 | 110.3 | L513 S514 N516 I527 V544 P571 C598 V600 V613 F629 | L513-F525 HydrophobicContact CD2-CD2 4.13Å; L513-F525 HydrophobicContact CD2-CE2 4.33Å; S514-F525 CarbonylContact O-C 3.6Å; S514-F525 WeakPolarHBondContact O-CA 3.21Å; S514-F525 WeakPolarHBondContact O-CB 3.43Å; N516-F525 WeakPolarHBondContact ND2-CA 3.16Å; N516-F525 PolarHBondContact ND2-O 3.39Å; F525-I527 HydrophobicContact CD2-CG1 4.38Å; F525-I527 HydrophobicContact CE2-CG1 4.1Å; F525-V544 HydrophobicContact CE1-CG2 3.81Å; F525-V544 HydrophobicContact CZ-CG2 3.52Å; F525-P571 HydrophobicContact CZ-CG 4.44Å; F525-C598 HydrophobicContact CD2-CB 4.05Å; F525-C598 HydrophobicContact CE1-CB 4.15Å; F525-C598 HydrophobicContact CE2-CB 3.5Å; F525-C598 VanDerWaalsContact CE2-CB 3.5Å; F525-C598 HydrophobicContact CZ-CB 3.55Å; F525-C598 PolarHBondContact N-O 2.9Å; F525-C598 PolarHBondContact O-N 3.31Å; F525-V600 HydrophobicContact CE1-CG2 3.97Å; F525-V613 HydrophobicContact CD2-CG2 4.4Å; F525-V613 HydrophobicContact CE1-CG2 4.47Å; F525-V613 HydrophobicContact CE2-CG2 3.53Å; F525-V613 HydrophobicContact CZ-CG2 3.58Å; F525-F629 HydrophobicContact CD1-CZ 4.35Å; F525-F629 HydrophobicContact CE1-CZ 4.48Å |
| 526 | T | 90.9 | Very high | 82.4 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.08 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.1 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 110 | L513 S514 N516 I576 K595 L596 | L513-T526 CarbonylContact C-O 3.5Å; L513-T526 WeakPolarHBondContact CA-O 3.32Å; S514-T526 PolarHBondContact N-O 2.95Å; S514-T526 PolarHBondContact O-N 2.71Å; N516-T526 VanDerWaalsContact CG-OG1 3.27Å; N516-T526 PolarHBondContact ND2-OG1 3.16Å; N516-T526 PolarHBondContact OD1-OG1 2.68Å; T526-I576 HydrophobicContact CG2-CD1 3.81Å; T526-K595 HydrophobicContact CG2-CB 4.46Å; T526-L596 CarbonylContact C-O 3.52Å; T526-L596 WeakPolarHBondContact CA-O 3.36Å |
| 527 | I | 89 | Confident | 81.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 121.2 | 167.5 | -45.7 | -175.9 | 0 | 0 | 0 | 107.4 | L511 L513 F525 T530 T542 K595 L596 V613 I615 | L511-I527 HydrophobicContact CB-CG2 4.41Å; L511-I527 HydrophobicContact CD2-CG2 3.9Å; L513-I527 HydrophobicContact CD2-CB 4.15Å; L513-I527 HydrophobicContact CD2-CG1 3.73Å; L513-I527 HydrophobicContact CD2-CG2 4.18Å; F525-I527 HydrophobicContact CD2-CG1 4.38Å; F525-I527 HydrophobicContact CE2-CG1 4.1Å; I527-T530 HydrophobicContact CG2-CG2 4.32Å; I527-T542 HydrophobicContact CD1-CG2 3.86Å; I527-K595 WeakPolarHBondContact O-CA 3.46Å; I527-L596 HydrophobicContact CB-CB 4.19Å; I527-L596 HydrophobicContact CD1-CB 4.27Å; I527-L596 HydrophobicContact CD1-CD1 4.32Å; I527-L596 HydrophobicContact CG1-CB 4.27Å; I527-L596 PolarHBondContact N-O 2.9Å; I527-L596 PolarHBondContact O-N 2.79Å; I527-L596 VanDerWaalsContact O-N 3.1Å; I527-V613 HydrophobicContact CD1-CG1 4.04Å; I527-I615 HydrophobicContact CD1-CD1 4.2Å |
| 528 | I | 86.3 | Confident | 80 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 35% | 0.354 | 26% | 0.26 | S | S | . | . | trans | -87.9 | -30.8 | -169.5 | -59.7 | 164.6 | 0 | 0 | 0 | 112 | N512 | N512-I528 PolarHBondContact O-N 3.48Š| ||
| 529 | N | 84 | Confident | 79 | Confident | 49 Ų | 49 | 53 Ų | 53 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | trans | -138 | 76.5 | -170.4 | 66.6 | -44.4 | 0 | 0 | 0 | 112.6 | R510 N512 | R510-N529 PolarHBondContact O-ND2 2.84Å; N512-N529 WeakPolarHBondContact CB-OD1 3.47Å; N512-N529 PolarHBondContact N-OD1 3.15Å | ||
| 530 | T | 75.3 | Confident | 78.3 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | trans | -68.5 | 134.7 | 169.4 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | I527 L594 L596 | I527-T530 HydrophobicContact CG2-CG2 4.32Å; T530-L594 HydrophobicContact CG2-CB 4.13Å; T530-L594 PolarHBondContact N-O 3.21Å; T530-L594 WeakPolarHBondContact OG1-CA 3.47Å; T530-L594 WeakPolarHBondContact OG1-CB 3.33Å; T530-L594 PolarHBondContact OG1-N 2.85Å; T530-L594 PolarHBondContact OG1-O 3.37Å; T530-L596 HydrophobicContact CG2-CD1 3.64Å; T530-L596 HydrophobicContact CG2-CG 3.94Å | ||
| 531 | P | 74.3 | Confident | 77.8 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | trans | -58.1 | 148.6 | 169 | -24.1 | 33.8 | 0 | 0 | 0 | 113 | H509 W533 A624 | H509-P531 HydrophobicContact CB-CB 4.38Å; H509-P531 HydrophobicContact CB-CG 3.45Å; H509-P531 VanDerWaalsContact CB-CG 3.45Å; P531-W533 HydrophobicContact CB-CD2 4.16Å; P531-W533 HydrophobicContact CB-CE3 4.26Å; P531-W533 HydrophobicContact CB-CH2 4.11Å; P531-W533 HydrophobicContact CB-CZ2 3.97Å; P531-W533 HydrophobicContact CB-CZ3 4.25Å; P531-W533 HydrophobicContact CG-CH2 3.88Å; P531-W533 HydrophobicContact CG-CZ2 3.82Å; P531-W533 HydrophobicContact CG-CZ3 4.41Å; P531-W533 WeakPolarHBondContact O-CZ3 3.35Å; P531-W533 PolarHBondContact O-N 3.35Å; P531-A624 HydrophobicContact CG-CB 3.96Å | ||
| 532 | A | 68.3 | Low | 77.6 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 63% | 0.628 | 27% | 0.274 | S | S | * | . | trans | -88.9 | 88.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 533 | W | 70 | Confident | 77.3 | Confident | 41 Ų | 41 | 53 Ų | 53 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | trans | -71.5 | 137.7 | 171.6 | -64.9 | -83 | 0 | 0 | 0 | 110.9 | P531 D535 V539 I615 T617 A624 | P531-W533 HydrophobicContact CB-CD2 4.16Å; P531-W533 HydrophobicContact CB-CE3 4.26Å; P531-W533 HydrophobicContact CB-CH2 4.11Å; P531-W533 HydrophobicContact CB-CZ2 3.97Å; P531-W533 HydrophobicContact CB-CZ3 4.25Å; P531-W533 HydrophobicContact CG-CH2 3.88Å; P531-W533 HydrophobicContact CG-CZ2 3.82Å; P531-W533 HydrophobicContact CG-CZ3 4.41Å; P531-W533 WeakPolarHBondContact O-CZ3 3.35Å; P531-W533 PolarHBondContact O-N 3.35Å; W533-D535 PolarHBondContact O-N 3Å; W533-V539 HydrophobicContact CB-CG2 4.07Å; W533-V539 HydrophobicContact CD2-CG2 3.7Å; W533-V539 HydrophobicContact CE3-CB 4.47Å; W533-V539 HydrophobicContact CE3-CG1 4.12Å; W533-V539 HydrophobicContact CE3-CG2 3.44Å; W533-V539 VanDerWaalsContact CE3-CG2 3.44Å; W533-V539 HydrophobicContact CG-CG2 4.01Å; W533-V539 HydrophobicContact CH2-CG1 4.3Å; W533-V539 HydrophobicContact CZ3-CG1 3.89Å; W533-V539 HydrophobicContact CZ3-CG2 4.09Å; W533-I615 HydrophobicContact CH2-CB 4.13Å; W533-I615 HydrophobicContact CH2-CD1 4.36Å; W533-I615 HydrophobicContact CH2-CG2 3.57Å; W533-I615 HydrophobicContact CZ2-CG2 4.18Å; W533-I615 HydrophobicContact CZ3-CG2 4.22Å; W533-T617 HydrophobicContact CD2-CG2 4.47Å; W533-T617 HydrophobicContact CG-CG2 4.15Å; W533-A624 HydrophobicContact CH2-CB 4.28Å; W533-A624 HydrophobicContact CZ2-CB 4.12Å | ||
| 534 | N | 64.5 | Low | 77 | Confident | 182 Ų | 182 | 53 Ų | 53 | 97% | 0.973 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -55.7 | -24.5 | -178.2 | -71.6 | -23.3 | 0 | 0 | 0 | 114.3 | ||
| 535 | D | 64.6 | Low | 76.7 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | trans | -138.1 | 96.8 | 174.8 | -175.4 | -1.8 | 0 | 0 | 0 | 110.2 | W533 R537 Q538 | W533-D535 PolarHBondContact O-N 3Å; D535-R537 VanDerWaalsContact CG-NH2 3.31Å; D535-R537 PolarHBondContact O-N 2.94Å; D535-R537 VanDerWaalsContact OD1-CB 3.3Å; D535-R537 WeakPolarHBondContact OD1-CB 3.29Å; D535-R537 WeakPolarHBondContact OD1-CG 3.44Å; D535-R537 IonicContact OD1-CZ 3.35Å; D535-R537 PolarHBondContact OD1-N 3.24Å; D535-R537 VanDerWaalsContact OD1-N 3.09Å; D535-R537 IonicContact OD1-NE 3.67Å; D535-R537 PolarHBondContact OD1-NE 3.39Å; D535-R537 IonicContact OD1-NH2 2.99Å; D535-R537 PolarHBondContact OD1-NH2 2.83Å; D535-R537 IonicContact OD2-CZ 3.79Å; D535-R537 IonicContact OD2-NE 3.5Å; D535-R537 IonicContact OD2-NH2 3.72Å; D535-R537 PolarHBondContact OD2-NH2 2.87Å; D535-Q538 HydrophobicContact CB-CG 3.96Å; D535-Q538 WeakPolarHBondContact O-CB 3.03Å; D535-Q538 PolarHBondContact O-N 2.82Å; D535-Q538 PolarHBondContact OD2-NE2 2.82Å | ||
| 536 | F | 66.3 | Low | 76.4 | Confident | 165 Ų | 165 | 55.6 Ų | 55.6 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -56 | -23 | 179.3 | 69 | -88.4 | 0 | 0 | 0 | 113.7 | Q538 V539 | F536-Q538 PolarHBondContact O-N 3Å; F536-V539 WeakPolarHBondContact O-CB 3.48Å; F536-V539 PolarHBondContact O-N 3.21Å |
| 537 | R | 62.3 | Low | 75.8 | Confident | 173 Ų | 173 | 56.9 Ų | 56.9 | 65% | 0.653 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -73.3 | -12.2 | 179.5 | -52.5 | 166.7 | -62.1 | -178.7 | 7.5 | 112.6 | D535 | D535-R537 VanDerWaalsContact CG-NH2 3.31Å; D535-R537 PolarHBondContact O-N 2.94Å; D535-R537 VanDerWaalsContact OD1-CB 3.3Å; D535-R537 WeakPolarHBondContact OD1-CB 3.29Å; D535-R537 WeakPolarHBondContact OD1-CG 3.44Å; D535-R537 IonicContact OD1-CZ 3.35Å; D535-R537 PolarHBondContact OD1-N 3.24Å; D535-R537 VanDerWaalsContact OD1-N 3.09Å; D535-R537 IonicContact OD1-NE 3.67Å; D535-R537 PolarHBondContact OD1-NE 3.39Å; D535-R537 IonicContact OD1-NH2 2.99Å; D535-R537 PolarHBondContact OD1-NH2 2.83Å; D535-R537 IonicContact OD2-CZ 3.79Å; D535-R537 IonicContact OD2-NE 3.5Å; D535-R537 IonicContact OD2-NH2 3.72Å; D535-R537 PolarHBondContact OD2-NH2 2.87Å |
| 538 | Q | 65.9 | Low | 75.3 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -88.4 | -12.6 | 174.9 | -56.6 | -177.5 | 26.4 | 0 | 0 | 111.8 | D535 F536 L540 T617 M618 F619 | D535-Q538 HydrophobicContact CB-CG 3.96Å; D535-Q538 WeakPolarHBondContact O-CB 3.03Å; D535-Q538 PolarHBondContact O-N 2.82Å; D535-Q538 PolarHBondContact OD2-NE2 2.82Å; F536-Q538 PolarHBondContact O-N 3Å; Q538-L540 PolarHBondContact O-N 2.74Å; Q538-T617 CarbonylContact O-C 3.59Å; Q538-T617 VanDerWaalsContact O-CA 3.23Å; Q538-T617 WeakPolarHBondContact O-CA 3.43Å; Q538-M618 PolarHBondContact O-N 2.81Å; Q538-F619 HydrophobicContact CG-CD2 4.1Å |
| 539 | V | 70.5 | Confident | 74.7 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -77.3 | 122.9 | -178.3 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | W533 F536 I615 T617 | W533-V539 HydrophobicContact CB-CG2 4.07Å; W533-V539 HydrophobicContact CD2-CG2 3.7Å; W533-V539 HydrophobicContact CE3-CB 4.47Å; W533-V539 HydrophobicContact CE3-CG1 4.12Å; W533-V539 HydrophobicContact CE3-CG2 3.44Å; W533-V539 VanDerWaalsContact CE3-CG2 3.44Å; W533-V539 HydrophobicContact CG-CG2 4.01Å; W533-V539 HydrophobicContact CH2-CG1 4.3Å; W533-V539 HydrophobicContact CZ3-CG1 3.89Å; W533-V539 HydrophobicContact CZ3-CG2 4.09Å; F536-V539 WeakPolarHBondContact O-CB 3.48Å; F536-V539 PolarHBondContact O-N 3.21Å; V539-I615 HydrophobicContact CG1-CG2 3.47Å; V539-I615 VanDerWaalsContact CG1-CG2 3.47Å; V539-T617 HydrophobicContact CG2-CG2 4.49Å |
| 540 | L | 71.6 | Confident | 73.8 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 36% | 0.356 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 161.7 | 174 | -73.9 | 171.4 | 0 | 0 | 0 | 110.9 | Q538 R616 M618 | Q538-L540 PolarHBondContact O-N 2.74Å; L540-R616 HydrophobicContact CB-CB 4.43Å; L540-R616 WeakPolarHBondContact CB-O 3.39Å; L540-R616 HydrophobicContact CD1-CB 3.99Å; L540-R616 PolarHBondContact N-O 2.87Å; L540-M618 HydrophobicContact CD1-CG 4.26Å; L540-M618 HydrophobicContact CD2-CG 3.6Å; L540-M618 HydrophobicContact CD2-SD 4.17Å; L540-M618 HydrophobicContact CG-CG 3.74Å |
| 541 | P | 76.4 | Confident | 73 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 148.7 | 172.7 | -27.7 | 35.9 | 0 | 0 | 0 | 112.7 | T543 | P541-T543 PolarHBondContact O-N 3.37Š|
| 542 | T | 83.5 | Confident | 72.3 | Confident | 14 Ų | 14 | 72 Ų | 72 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 132.6 | 169 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | I527 P571 V613 I615 | I527-T542 HydrophobicContact CD1-CG2 3.86Å; T542-P571 HydrophobicContact CG2-CG 4.2Å; T542-P571 VanDerWaalsContact O-CD 3.31Å; T542-P571 WeakPolarHBondContact O-CD 3.28Å; T542-V613 HydrophobicContact CG2-CG1 3.48Å; T542-V613 VanDerWaalsContact CG2-CG1 3.48Å; T542-I615 HydrophobicContact CG2-CG1 4.19Å |
| 543 | T | 84.3 | Confident | 71.7 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 14% | 0.135 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132 | 179.9 | -57 | 0 | 0 | 0 | 0 | 109.5 | P541 Y545 I568 V613 E614 | P541-T543 PolarHBondContact O-N 3.37Å; T543-Y545 HydrophobicContact CG2-CD2 4.1Å; T543-Y545 HydrophobicContact CG2-CE2 3.62Å; T543-I568 HydrophobicContact CG2-CG2 3.37Å; T543-V613 WeakPolarHBondContact O-CA 3.45Å; T543-E614 PolarHBondContact N-O 3.38Å; T543-E614 PolarHBondContact O-N 2.79Å |
| 544 | V | 85.7 | Confident | 71 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.9 | 168.8 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | F525 Y546 H569 P571 V600 A611 Y612 V613 | F525-V544 HydrophobicContact CE1-CG2 3.81Å; F525-V544 HydrophobicContact CZ-CG2 3.52Å; V544-Y546 HydrophobicContact CG1-CD1 4.26Å; V544-H569 PolarHBondContact N-O 3.01Å; V544-H569 PolarHBondContact O-N 3.26Å; V544-P571 HydrophobicContact CG2-CB 4.46Å; V544-P571 HydrophobicContact CG2-CG 3.75Å; V544-V600 HydrophobicContact CB-CG2 3.93Å; V544-V600 HydrophobicContact CG1-CG2 4.03Å; V544-V600 HydrophobicContact CG2-CG2 3.71Å; V544-A611 HydrophobicContact CG1-CB 4.21Å; V544-Y612 WeakPolarHBondContact CA-O 3.15Å; V544-V613 HydrophobicContact CG2-CG2 3.98Å |
| 545 | Y | 84.6 | Confident | 70.4 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.1 | 165.7 | -64.8 | -105.6 | 0 | 0 | 0 | 107.1 | T543 W566 H567 I568 A611 Y612 E614 R616 | T543-Y545 HydrophobicContact CG2-CD2 4.1Å; T543-Y545 HydrophobicContact CG2-CE2 3.62Å; Y545-W566 HydrophobicContact CD1-CB 4.19Å; Y545-H567 CarbonylContact C-O 3Å; Y545-H567 VanDerWaalsContact CA-O 3.3Å; Y545-H567 WeakPolarHBondContact CA-O 3.44Å; Y545-I568 HydrophobicContact CD1-CD1 4.21Å; Y545-I568 HydrophobicContact CD1-CG1 3.79Å; Y545-I568 HydrophobicContact CE1-CD1 3.67Å; Y545-I568 HydrophobicContact CE1-CG1 3.75Å; Y545-I568 HydrophobicContact CE1-CG2 4.22Å; Y545-A611 CarbonylContact O-C 3.55Å; Y545-A611 WeakPolarHBondContact O-CA 3.33Å; Y545-A611 WeakPolarHBondContact O-CB 3.41Å; Y545-Y612 VanDerWaalsContact CB-CZ 3.45Å; Y545-Y612 HydrophobicContact CD1-CE2 4.48Å; Y545-Y612 AromaticContact CD1-CZ 3.94Å; Y545-Y612 WeakPolarHBondContact CD1-OH 3.21Å; Y545-Y612 AromaticContact CD2-CD2 3.99Å; Y545-Y612 HydrophobicContact CD2-CD2 3.99Å; Y545-Y612 HydrophobicContact CD2-CE1 4.46Å; Y545-Y612 AromaticContact CD2-CE2 3.26Å; Y545-Y612 HydrophobicContact CD2-CE2 3.26Å; Y545-Y612 AromaticContact CD2-CZ 3.55Å; Y545-Y612 AromaticContact CE2-CE2 3.87Å; Y545-Y612 HydrophobicContact CE2-CE2 3.87Å; Y545-Y612 HydrophobicContact CG-CD2 4.42Å; Y545-Y612 AromaticContact CG-CE1 3.99Å; Y545-Y612 HydrophobicContact CG-CE1 3.99Å; Y545-Y612 AromaticContact CG-CE2 3.63Å; Y545-Y612 HydrophobicContact CG-CE2 3.63Å; Y545-Y612 AromaticContact CG-CZ 3.37Å; Y545-Y612 VanDerWaalsContact CG-OH 3.27Å; Y545-Y612 PolarHBondContact N-O 3.11Å; Y545-Y612 PolarHBondContact O-N 2.71Å; Y545-E614 HydrophobicContact CD2-CB 4.29Å; Y545-E614 HydrophobicContact CE2-CB 3.76Å; Y545-E614 HydrophobicContact CE2-CG 4.47Å; Y545-E614 WeakPolarHBondContact CE2-OE2 3.46Å; Y545-E614 PolarHBondContact OH-OE2 2.64Å; Y545-R616 PolarHBondContact OH-NH2 3.21Å |
| 546 | Y | 85.9 | Confident | 69.8 | Low | 31 Ų | 31 | 73 Ų | 73 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153.4 | 176.3 | 68.6 | -86.2 | 0 | 0 | 0 | 112 | V544 H567 H569 L603 Y609 Q610 | V544-Y546 HydrophobicContact CG1-CD1 4.26Å; Y546-H567 HydrophobicContact CD1-CB 4.28Å; Y546-H567 HydrophobicContact CD2-CB 4.24Å; Y546-H567 HydrophobicContact CE1-CB 3.91Å; Y546-H567 HydrophobicContact CE2-CB 3.86Å; Y546-H567 AromaticContact CE2-CD2 3.73Å; Y546-H567 HydrophobicContact CG-CB 4.43Å; Y546-H567 PolarHBondContact N-O 3Å; Y546-H567 WeakPolarHBondContact O-CA 3.41Å; Y546-H567 WeakPolarHBondContact O-CB 3Å; Y546-H567 PolarHBondContact O-CD2 3.08Å; Y546-H567 PolarHBondContact O-N 3.48Å; Y546-H569 HydrophobicContact CE1-CB 3.86Å; Y546-L603 HydrophobicContact CD2-CD2 3.91Å; Y546-L603 HydrophobicContact CE1-CD2 4.42Å; Y546-L603 HydrophobicContact CE2-CD2 3.5Å; Y546-L603 VanDerWaalsContact CE2-CD2 3.5Å; Y546-Y609 AromaticContact CD2-CD1 3.84Å; Y546-Y609 HydrophobicContact CD2-CD1 3.84Å; Y546-Y609 AromaticContact CD2-CE1 3.96Å; Y546-Y609 HydrophobicContact CD2-CE1 3.96Å; Y546-Y609 HydrophobicContact CE2-CD1 4.48Å; Y546-Y609 HydrophobicContact CE2-CE1 4.15Å; Y546-Q610 CarbonylContact C-O 3.57Å; Y546-Q610 WeakPolarHBondContact CA-O 3.08Å; Y546-Q610 WeakPolarHBondContact CB-O 3.34Å |
| 547 | R | 79.2 | Confident | 68.8 | Low | 40 Ų | 40 | 72.1 Ų | 72.1 | 15% | 0.151 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 152.8 | 173.7 | 66.8 | -175.2 | -160.8 | 134.2 | 19 | 110.2 | D377 S565 W566 Y609 Q610 | D377-R547 IonicContact OD2-NH1 3.65Å; R547-S565 WeakPolarHBondContact CB-O 3.37Å; R547-S565 WeakPolarHBondContact CD-OG 3.18Å; R547-W566 HydrophobicContact CB-CE3 4.34Å; R547-W566 HydrophobicContact CG-CD2 4.42Å; R547-W566 HydrophobicContact CG-CE3 4.12Å; R547-W566 HydrophobicContact CG-CH2 4.18Å; R547-W566 HydrophobicContact CG-CZ2 4.46Å; R547-W566 HydrophobicContact CG-CZ3 4Å; R547-Y609 WeakPolarHBondContact O-CA 3.48Å; R547-Y609 WeakPolarHBondContact O-CD1 3.34Å; R547-Q610 HydrophobicContact CG-CB 4.06Å; R547-Q610 PolarHBondContact N-O 3.38Å; R547-Q610 PolarHBondContact O-N 2.98Å |
| 548 | Y | 76.9 | Confident | 68.1 | Low | 141 Ų | 141 | 69 Ų | 69 | 55% | 0.553 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 152.6 | 169 | 66.9 | -96 | 0 | 0 | 0 | 109.6 | ||
| 549 | I | 73.7 | Confident | 67.5 | Low | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | trans | -115.2 | 138.2 | 171.2 | -39 | 172.6 | 0 | 0 | 0 | 107.9 | E553 Q607 R608 Q610 T630 | I549-E553 HydrophobicContact CG2-CB 3.8Å; I549-Q607 PolarHBondContact O-NE2 2.68Å; I549-R608 HydrophobicContact CB-CB 4.36Å; I549-R608 HydrophobicContact CD1-CB 4.46Å; I549-R608 PolarHBondContact N-O 3.41Å; I549-Q610 HydrophobicContact CD1-CB 4.03Å; I549-Q610 HydrophobicContact CD1-CG 3.61Å; I549-Q610 HydrophobicContact CG1-CB 3.96Å; I549-Q610 HydrophobicContact CG1-CG 3.96Å; I549-T630 HydrophobicContact CD1-CG2 4.19Å | ||
| 550 | G | 66.7 | Low | 67.1 | Low | 28 Ų | 28 | 72.3 Ų | 72.3 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | trans | -61.8 | 158.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D552 E553 | G550-D552 PolarHBondContact O-N 2.76Å; G550-E553 PolarHBondContact N-OE2 3.44Å | ||
| 551 | L | 58.6 | Low | 67.2 | Low | 141 Ų | 141 | 69.1 Ų | 69.1 | 74% | 0.738 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -31.3 | 176.2 | -75.4 | 170.1 | 0 | 0 | 0 | 112.3 | R608 | L551-R608 PolarHBondContact O-NH1 3.32Š|
| 552 | D | 58.3 | Low | 66.9 | Low | 163 Ų | 163 | 65.8 Ų | 65.8 | 87% | 0.872 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 2.6 | -173.1 | -51.1 | -63.6 | 0 | 0 | 0 | 114.8 | G550 | G550-D552 PolarHBondContact O-N 2.76Š|
| 553 | E | 55.3 | Low | 66 | Low | 87 Ų | 87 | 65.6 Ų | 65.6 | 41% | 0.407 | 34% | 0.34 | S | S | . | . | trans | -80.6 | 134.4 | -179.2 | -68.7 | -172.5 | 126.4 | 0 | 0 | 112.5 | I549 G550 | I549-E553 HydrophobicContact CG2-CB 3.8Å; G550-E553 PolarHBondContact N-OE2 3.44Å | ||
| 554 | P | 56.7 | Low | 64.6 | Low | 96 Ų | 96 | 70.7 Ų | 70.7 | 62% | 0.623 | 36% | 0.36 | S | S | * | . | trans | -76.4 | 145.9 | 179.5 | 30.7 | -34.8 | 0 | 0 | 0 | 113 | S556 | P554-S556 PolarHBondContact O-N 3.18Š| ||
| 555 | E | 52.2 | Low | 63.5 | Low | 111 Ų | 111 | 72.2 Ų | 72.2 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | trans | -76.8 | 41.1 | -179.2 | -62.4 | -176.6 | 143.8 | 0 | 0 | 113.7 | R608 T630 | E555-R608 IonicContact OE1-NH2 3.26Å; E555-T630 HydrophobicContact CG-CG2 4.38Å; E555-T630 WeakPolarHBondContact OE1-CB 3.35Å; E555-T630 VanDerWaalsContact OE1-CG2 3.24Å; E555-T630 WeakPolarHBondContact OE1-CG2 3.46Å; E555-T630 PolarHBondContact OE1-OG1 3.1Å | ||
| 556 | S | 50.6 | Low | 62.7 | Low | 60 Ų | 60 | 73.7 Ų | 73.7 | 42% | 0.42 | 38% | 0.376 | S | S | . | . | trans | -83.4 | 132 | -177.4 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | P554 I558 | P554-S556 PolarHBondContact O-N 3.18Å; S556-I558 PolarHBondContact O-N 3.26Å; S556-I558 WeakPolarHBondContact OG-CG1 3.08Å | ||
| 557 | N | 45.5 | Very low | 62 | Low | 147 Ų | 147 | 74.6 Ų | 74.6 | 79% | 0.786 | 38% | 0.381 | S | S | * | . | trans | -66.4 | 70.9 | 169.8 | -84.4 | -34.1 | 0 | 0 | 0 | 112.2 | Q559 | N557-Q559 PolarHBondContact O-N 3.35Š| ||
| 558 | I | 47.9 | Very low | 61.9 | Low | 107 Ų | 107 | 78 Ų | 78 | 55% | 0.549 | 40% | 0.402 | S | S | . | . | trans | -78.7 | 113.8 | 175.6 | -58.6 | 177 | 0 | 0 | 0 | 108.4 | S556 T560 | S556-I558 PolarHBondContact O-N 3.26Å; S556-I558 WeakPolarHBondContact OG-CG1 3.08Å; I558-T560 HydrophobicContact CB-CG2 4.48Å; I558-T560 HydrophobicContact CG2-CG2 3.93Å; I558-T560 PolarHBondContact O-N 3.42Å | ||
| 559 | Q | 53.6 | Low | 62 | Low | 144 Ų | 144 | 73.8 Ų | 73.8 | 67% | 0.673 | 39% | 0.387 | S | S | * | . | trans | -67.6 | 88.1 | 155.8 | -83.1 | -172.1 | -20.1 | 0 | 0 | 108 | N557 I561 | N557-Q559 PolarHBondContact O-N 3.35Å; Q559-I561 PolarHBondContact O-N 3.23Å | ||
| 560 | T | 61.7 | Low | 62.5 | Low | 18 Ų | 18 | 79.8 Ų | 79.8 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | trans | -58 | 128.3 | 177.2 | 29 | 0 | 0 | 0 | 0 | 109.7 | D377 I558 C562 D563 | D377-T560 HydrophobicContact CB-CG2 4.33Å; I558-T560 HydrophobicContact CB-CG2 4.48Å; I558-T560 HydrophobicContact CG2-CG2 3.93Å; I558-T560 PolarHBondContact O-N 3.42Å; T560-C562 WeakPolarHBondContact CB-O 3.48Å; T560-C562 PolarHBondContact O-N 3.21Å; T560-D563 HydrophobicContact CG2-CB 4.49Å; T560-D563 WeakPolarHBondContact OG1-CB 3.3Å; T560-D563 PolarHBondContact OG1-OD2 3.45Å | ||
| 561 | I | 73.5 | Confident | 63.3 | Low | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -65.8 | -33.8 | 176.7 | -71.8 | 172.2 | 0 | 0 | 0 | 109.5 | T380 F383 M384 L405 Q406 S407 F410 Q559 | T380-I561 HydrophobicContact CG2-CB 4.25Å; T380-I561 HydrophobicContact CG2-CD1 3.86Å; T380-I561 HydrophobicContact CG2-CG1 3.96Å; T380-I561 PolarHBondContact OG1-N 3.3Å; F383-I561 HydrophobicContact CB-CD1 4.05Å; F383-I561 HydrophobicContact CB-CG2 4.42Å; F383-I561 HydrophobicContact CG-CG2 4.28Å; M384-I561 HydrophobicContact CG-CD1 3.84Å; M384-I561 HydrophobicContact SD-CD1 3.98Å; L405-I561 CarbonylContact C-O 3.37Å; L405-I561 WeakPolarHBondContact CA-O 3.36Å; L405-I561 HydrophobicContact CD2-CG2 3.9Å; Q406-I561 PolarHBondContact N-O 3.1Å; S407-I561 PolarHBondContact N-O 2.79Å; F410-I561 HydrophobicContact CB-CD1 4.11Å; F410-I561 HydrophobicContact CD1-CD1 4.1Å; F410-I561 HydrophobicContact CD1-CG2 3.89Å; F410-I561 HydrophobicContact CE1-CG2 4.11Å; Q559-I561 PolarHBondContact O-N 3.23Å |
| 562 | C | 70.1 | Confident | 64.3 | Low | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -133.3 | 132 | 176.4 | -51 | 0 | 0 | 0 | 0 | 108.3 | C375 D377 S404 T560 | C375-C562 HydrophobicContact CB-CB 3.53Å; C375-C562 WeakPolarHBondContact CB-SG 3.4Å; C375-C562 WeakPolarHBondContact O-CB 3.4Å; C375-C562 WeakPolarHBondContact SG-CB 3.42Å; C375-C562 CovalentContact SG-SG 2.02Å; C375-C562 PolarHBondContact SG-SG 3.35Å; D377-C562 WeakPolarHBondContact CA-O 3.28Å; S404-C562 WeakPolarHBondContact O-CA 3.35Å; T560-C562 WeakPolarHBondContact CB-O 3.48Å; T560-C562 PolarHBondContact O-N 3.21Å |
| 563 | D | 64.4 | Low | 65.5 | Low | 10 Ų | 10 | 73.1 Ų | 73.1 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | trans | -152.8 | 125.4 | 178.8 | -163.9 | -30 | 0 | 0 | 0 | 110.5 | Q406 T560 S565 W566 | Q406-D563 PolarHBondContact NE2-O 2.64Å; T560-D563 HydrophobicContact CG2-CB 4.49Å; T560-D563 WeakPolarHBondContact OG1-CB 3.3Å; T560-D563 PolarHBondContact OG1-OD2 3.45Å; D563-S565 WeakPolarHBondContact OD1-CB 3.29Å; D563-S565 PolarHBondContact OD1-N 3Å; D563-S565 PolarHBondContact OD1-OG 3.02Å; D563-W566 PolarHBondContact OD1-NE1 2.88Å; D563-W566 PolarHBondContact OD2-NE1 2.74Å | ||
| 564 | K | 56.6 | Low | 66.7 | Low | 130 Ų | 130 | 75.8 Ų | 75.8 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | trans | -128.4 | 9.5 | 169.8 | -69.3 | -179.9 | -178.5 | 169.5 | 0 | 111.2 | D374 S404 W566 | D374-K564 IonicContact OD1-NZ 2.73Å; D374-K564 PolarHBondContact OD1-NZ 2.87Å; S404-K564 WeakPolarHBondContact OG-CE 3.26Å; S404-K564 PolarHBondContact OG-NZ 3.08Å; K564-W566 PolarHBondContact O-N 3.4Å | ||
| 565 | S | 61.3 | Low | 67.4 | Low | 34 Ų | 34 | 77 Ų | 77 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | trans | -76.9 | -20.4 | -166.5 | 69.9 | 0 | 0 | 0 | 0 | 114.5 | D377 R547 D563 H567 | D377-S565 PolarHBondContact OD2-OG 3.25Å; R547-S565 WeakPolarHBondContact CB-O 3.37Å; R547-S565 WeakPolarHBondContact CD-OG 3.18Å; D563-S565 WeakPolarHBondContact OD1-CB 3.29Å; D563-S565 PolarHBondContact OD1-N 3Å; D563-S565 PolarHBondContact OD1-OG 3.02Å; S565-H567 PolarHBondContact O-N 2.95Å | ||
| 566 | W | 68.1 | Low | 68 | Low | 55 Ų | 55 | 74.5 Ų | 74.5 | 21% | 0.208 | 37% | 0.368 | C | S | . | . | trans | -82.1 | 115 | -175 | -58.4 | 87.4 | 0 | 0 | 0 | 112.9 | Y545 R547 D563 K564 Q610 Y612 V628 | Y545-W566 HydrophobicContact CD1-CB 4.19Å; R547-W566 HydrophobicContact CB-CE3 4.34Å; R547-W566 HydrophobicContact CG-CD2 4.42Å; R547-W566 HydrophobicContact CG-CE3 4.12Å; R547-W566 HydrophobicContact CG-CH2 4.18Å; R547-W566 HydrophobicContact CG-CZ2 4.46Å; R547-W566 HydrophobicContact CG-CZ3 4Å; D563-W566 PolarHBondContact OD1-NE1 2.88Å; D563-W566 PolarHBondContact OD2-NE1 2.74Å; K564-W566 PolarHBondContact O-N 3.4Å; W566-Q610 HydrophobicContact CH2-CB 4.28Å; W566-Q610 HydrophobicContact CZ3-CB 4.4Å; W566-Y612 HydrophobicContact CD2-CE1 4.03Å; W566-Y612 HydrophobicContact CE3-CD1 4.11Å; W566-Y612 AromaticContact CE3-CE1 3.95Å; W566-Y612 HydrophobicContact CE3-CE1 3.95Å; W566-Y612 HydrophobicContact CH2-CD1 4.1Å; W566-Y612 HydrophobicContact CH2-CE1 4.36Å; W566-Y612 HydrophobicContact CZ2-CE1 4.44Å; W566-Y612 AromaticContact CZ3-CD1 3.85Å; W566-Y612 HydrophobicContact CZ3-CD1 3.85Å; W566-Y612 HydrophobicContact CZ3-CE1 4.11Å; W566-V628 HydrophobicContact CH2-CG1 4.36Å | ||
| 567 | H | 71.5 | Confident | 68.3 | Low | 51 Ų | 51 | 77.8 Ų | 77.8 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 144.3 | 161.3 | -50.5 | -71.9 | 0 | 0 | 0 | 109.9 | Y545 Y546 S565 H776 | Y545-H567 CarbonylContact C-O 3Å; Y545-H567 VanDerWaalsContact CA-O 3.3Å; Y545-H567 WeakPolarHBondContact CA-O 3.44Å; Y546-H567 HydrophobicContact CD1-CB 4.28Å; Y546-H567 HydrophobicContact CD2-CB 4.24Å; Y546-H567 HydrophobicContact CE1-CB 3.91Å; Y546-H567 HydrophobicContact CE2-CB 3.86Å; Y546-H567 AromaticContact CE2-CD2 3.73Å; Y546-H567 HydrophobicContact CG-CB 4.43Å; Y546-H567 PolarHBondContact N-O 3Å; Y546-H567 WeakPolarHBondContact O-CA 3.41Å; Y546-H567 WeakPolarHBondContact O-CB 3Å; Y546-H567 PolarHBondContact O-CD2 3.08Å; Y546-H567 PolarHBondContact O-N 3.48Å; S565-H567 PolarHBondContact O-N 2.95Å; H567-H776 AromaticContact CE1-CD2 3.91Å; H567-H776 AromaticContact CE1-CE1 3.95Å; H567-H776 AromaticContact CE1-NE2 3.5Å |
| 568 | I | 76.4 | Confident | 68.6 | Low | 112 Ų | 112 | 76.3 Ų | 76.3 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.8 | -177 | -47.7 | -178.4 | 0 | 0 | 0 | 108.7 | T543 Y545 | T543-I568 HydrophobicContact CG2-CG2 3.37Å; Y545-I568 HydrophobicContact CD1-CD1 4.21Å; Y545-I568 HydrophobicContact CD1-CG1 3.79Å; Y545-I568 HydrophobicContact CE1-CD1 3.67Å; Y545-I568 HydrophobicContact CE1-CG1 3.75Å; Y545-I568 HydrophobicContact CE1-CG2 4.22Å |
| 569 | H | 80 | Confident | 68.2 | Low | 51 Ų | 51 | 77 Ų | 77 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 135.9 | -179.8 | -178.2 | 95.3 | 0 | 0 | 0 | 110.7 | V544 Y546 P571 | V544-H569 PolarHBondContact N-O 3.01Å; V544-H569 PolarHBondContact O-N 3.26Å; Y546-H569 HydrophobicContact CE1-CB 3.86Å; H569-P571 WeakPolarHBondContact O-CD 3.3Å |
| 570 | E | 84.8 | Confident | 67.5 | Low | 128 Ų | 128 | 76.5 Ų | 76.5 | 60% | 0.598 | 38% | 0.378 | S | S | * | . | trans | -90.7 | 97.7 | 172.9 | -67.7 | 176.7 | -167 | 0 | 0 | 108.6 | ||||
| 571 | P | 82.7 | Confident | 66.5 | Low | 12 Ų | 12 | 86 Ų | 86 | 8% | 0.078 | 41% | 0.412 | C | S | . | . | trans | -60.7 | 152.7 | 178 | 26.5 | -39.8 | 0 | 0 | 0 | 112.9 | F525 T542 V544 H569 C573 C598 E599 V600 | F525-P571 HydrophobicContact CZ-CG 4.44Å; T542-P571 HydrophobicContact CG2-CG 4.2Å; T542-P571 VanDerWaalsContact O-CD 3.31Å; T542-P571 WeakPolarHBondContact O-CD 3.28Å; V544-P571 HydrophobicContact CG2-CB 4.46Å; V544-P571 HydrophobicContact CG2-CG 3.75Å; H569-P571 WeakPolarHBondContact O-CD 3.3Å; P571-C573 PolarHBondContact O-N 2.8Å; P571-C598 HydrophobicContact CB-CB 4.11Å; P571-C598 HydrophobicContact CG-CB 4.3Å; P571-E599 WeakPolarHBondContact CA-O 3.43Å; P571-E599 VanDerWaalsContact CB-O 3.22Å; P571-E599 WeakPolarHBondContact CB-O 3.43Å; P571-V600 HydrophobicContact CB-CG2 3.95Å | ||
| 572 | K | 79.6 | Confident | 64.8 | Low | 137 Ų | 137 | 94.2 Ų | 94.2 | 60% | 0.596 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 107.2 | 168 | -67.6 | 179 | -176.7 | 173.1 | 0 | 108.8 | C598 E599 | K572-C598 CarbonylContact O-C 3.53Å; K572-C598 WeakPolarHBondContact O-CA 3.1Å; K572-E599 PolarHBondContact N-O 3.08Å; K572-E599 PolarHBondContact O-N 2.72Å |
| 573 | C | 83.2 | Confident | 63.6 | Low | 43 Ų | 43 | 98.3 Ų | 98.3 | 29% | 0.291 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.9 | 177.2 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | P571 Q597 C598 | P571-C573 PolarHBondContact O-N 2.8Å; C573-Q597 CarbonylContact C-O 3.59Å; C573-Q597 VanDerWaalsContact CA-O 3.3Å; C573-Q597 WeakPolarHBondContact CA-O 3.37Å; C573-C598 HydrophobicContact CB-CB 4.15Å; C573-C598 WeakPolarHBondContact CB-SG 3.39Å; C573-C598 WeakPolarHBondContact SG-CB 3.19Å; C573-C598 CovalentContact SG-SG 2.04Å; C573-C598 PolarHBondContact SG-SG 3.4Å |
| 574 | Q | 79.7 | Confident | 62.6 | Low | 143 Ų | 143 | 103.1 Ų | 103.1 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.8 | 176.1 | -59.4 | -173.8 | 13.1 | 0 | 0 | 110.2 | I576 L596 Q597 | Q574-I576 PolarHBondContact O-N 3.35Å; Q574-L596 CarbonylContact O-C 3.59Å; Q574-L596 WeakPolarHBondContact O-CA 3.11Å; Q574-Q597 PolarHBondContact N-O 2.82Å; Q574-Q597 PolarHBondContact O-N 2.79Å |
| 575 | K | 73 | Confident | 61.6 | Low | 122 Ų | 122 | 103.6 Ų | 103.6 | 53% | 0.53 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123.1 | 172.9 | 177.8 | -179.1 | 178.1 | 180 | 0 | 109.8 | I577 L594 L596 | K575-I577 HydrophobicContact CD-CG1 3.99Å; K575-I577 HydrophobicContact CG-CG1 4.11Å; K575-I577 PolarHBondContact O-N 3Å; K575-L594 HydrophobicContact CB-CD2 4.46Å; K575-L594 HydrophobicContact CD-CD1 3.95Å; K575-L594 HydrophobicContact CD-CD2 4.05Å; K575-L594 HydrophobicContact CD-CG 4.07Å; K575-L594 VanDerWaalsContact CE-CD1 3.41Å; K575-L594 HydrophobicContact CG-CD1 4.47Å; K575-L594 HydrophobicContact CG-CD2 4Å; K575-L594 HydrophobicContact CG-CG 4.05Å; K575-L596 HydrophobicContact CB-CD2 4.48Å |
| 576 | I | 64.8 | Low | 60.5 | Low | 59 Ų | 59 | 111.2 Ų | 111.2 | 30% | 0.303 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 122.8 | 164.2 | -54.1 | 178.7 | 0 | 0 | 0 | 107.5 | T526 Q574 E578 K595 Q597 | T526-I576 HydrophobicContact CG2-CD1 3.81Å; Q574-I576 PolarHBondContact O-N 3.35Å; I576-E578 HydrophobicContact CG2-CG 4.37Å; I576-K595 HydrophobicContact CB-CB 4.11Å; I576-K595 HydrophobicContact CD1-CB 4.17Å; I576-K595 HydrophobicContact CG1-CB 4.42Å; I576-K595 PolarHBondContact N-O 2.95Å; I576-Q597 HydrophobicContact CD1-CB 4.21Å; I576-Q597 HydrophobicContact CG1-CB 4.19Å |
| 577 | I | 55.6 | Low | 59.1 | Low | 129 Ų | 129 | 117.1 Ų | 117.1 | 66% | 0.662 | 58% | 0.577 | S | S | * | * | trans | -106.9 | 109.6 | 168.2 | -58.8 | 174.5 | 0 | 0 | 0 | 106.3 | K575 | K575-I577 HydrophobicContact CD-CG1 3.99Å; K575-I577 HydrophobicContact CG-CG1 4.11Å; K575-I577 PolarHBondContact O-N 3Å | ||
| 578 | E | 51.9 | Low | 57.1 | Low | 116 Ų | 116 | 119.6 Ų | 119.6 | 54% | 0.542 | 61% | 0.606 | S | S | . | * | trans | -72.4 | 134.3 | 171 | -69.8 | -178.9 | -148.8 | 0 | 0 | 109.1 | I576 M580 K595 | I576-E578 HydrophobicContact CG2-CG 4.37Å; E578-M580 PolarHBondContact O-N 3.43Å; E578-M580 VanDerWaalsContact O-N 3.09Å; E578-K595 IonicContact OE1-NZ 2.75Å; E578-K595 PolarHBondContact OE1-NZ 2.88Å | ||
| 579 | P | 40.6 | Very low | 55.2 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 79% | 0.792 | 61% | 0.608 | S | S | * | * | trans | -72.3 | 107.7 | -175.1 | 27.6 | -33.5 | 0 | 0 | 0 | 110.5 | R581 | P579-R581 PolarHBondContact O-N 3.18Š| ||
| 580 | M | 38 | Very low | 53.3 | Low | 132 Ų | 132 | 125.4 Ų | 125.4 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | trans | -56 | 137.8 | 174.3 | -60.5 | -174 | 87 | 0 | 0 | 110.5 | E578 I589 | E578-M580 PolarHBondContact O-N 3.43Å; E578-M580 VanDerWaalsContact O-N 3.09Å; M580-I589 HydrophobicContact CE-CD1 4.04Å | ||
| 581 | R | 40 | Very low | 51.3 | Low | 218 Ų | 218 | 124.4 Ų | 124.4 | 82% | 0.823 | 64% | 0.639 | S | S | * | * | trans | -82 | 145.8 | 173.6 | -62.2 | -178.5 | -176.8 | -177.2 | 1.7 | 109.1 | P579 S583 | P579-R581 PolarHBondContact O-N 3.18Å; R581-S583 PolarHBondContact O-N 3.25Å | ||
| 582 | N | 38.1 | Very low | 49.8 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 94% | 0.936 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 26.3 | -171.1 | -75.5 | -11.2 | 0 | 0 | 0 | 115.6 | ||
| 583 | S | 45.8 | Very low | 48.8 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 60% | 0.601 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -28 | -179.2 | 46.6 | 0 | 0 | 0 | 0 | 114.3 | R581 L585 | R581-S583 PolarHBondContact O-N 3.25Å; S583-L585 PolarHBondContact O-N 2.98Å |
| 584 | D | 42.1 | Very low | 48 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | trans | -103.6 | 34 | -154.4 | -57.4 | -6.8 | 0 | 0 | 0 | 114.3 | ||||
| 585 | L | 37.2 | Very low | 48.1 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 140.6 | 166.3 | -99.8 | 71.7 | 0 | 0 | 0 | 110.4 | S583 | S583-L585 PolarHBondContact O-N 2.98Š|
| 586 | F | 37.9 | Very low | 48.6 | Very low | 194 Ų | 194 | 121.6 Ų | 121.6 | 85% | 0.851 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86 | 13 | 172.5 | -58.8 | -75 | 0 | 0 | 0 | 120.3 | ||
| 587 | H | 38.8 | Very low | 49.8 | Very low | 178 Ų | 178 | 122 Ų | 122 | 82% | 0.824 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -119.4 | 150.6 | 160.9 | -77.2 | -54.3 | 0 | 0 | 0 | 113.5 | I589 | H587-I589 PolarHBondContact O-N 2.8Å; H587-I589 VanDerWaalsContact O-N 3.17Å |
| 588 | A | 29.2 | Very low | 51.4 | Low | 103 Ų | 103 | 115.9 Ų | 115.9 | 85% | 0.851 | 60% | 0.603 | S | S | * | * | trans | -75.1 | 105.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q590 | A588-Q590 PolarHBondContact O-N 3.11Š| ||
| 589 | I | 35.4 | Very low | 53.2 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 61% | 0.61 | 59% | 0.588 | S | S | * | * | trans | -68 | 114.7 | 179.1 | -64.3 | 162.7 | 0 | 0 | 0 | 109.5 | M580 H587 | M580-I589 HydrophobicContact CE-CD1 4.04Å; H587-I589 PolarHBondContact O-N 2.8Å; H587-I589 VanDerWaalsContact O-N 3.17Å | ||
| 590 | Q | 40.8 | Very low | 55.5 | Low | 166 Ų | 166 | 107.1 Ų | 107.1 | 78% | 0.776 | 55% | 0.551 | S | S | * | * | trans | -65.7 | 147.5 | 161.3 | -67.3 | -169.4 | 5.4 | 0 | 0 | 109 | A588 E592 | A588-Q590 PolarHBondContact O-N 3.11Å; Q590-E592 PolarHBondContact O-N 2.03Å | ||
| 591 | P | 42.9 | Very low | 57.8 | Low | 108 Ų | 108 | 102.3 Ų | 102.3 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | trans | -67.3 | 96.6 | -177.8 | 27.7 | -34.7 | 0 | 0 | 0 | 111.1 | ||||
| 592 | E | 51.4 | Low | 59.8 | Low | 165 Ų | 165 | 95.9 Ų | 95.9 | 77% | 0.771 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 138.5 | 174.3 | -63.5 | -172.4 | 135.6 | 0 | 0 | 110.8 | Q590 L594 | Q590-E592 PolarHBondContact O-N 2.03Å; E592-L594 PolarHBondContact O-N 3.38Å |
| 593 | S | 58.2 | Low | 62.1 | Low | 70 Ų | 70 | 87.6 Ų | 87.6 | 49% | 0.49 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -64 | 123.8 | -176.8 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 594 | L | 67.2 | Low | 64.1 | Low | 63 Ų | 63 | 88 Ų | 88 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 142.4 | 176.9 | -130 | 84.2 | 0 | 0 | 0 | 111 | T530 K575 E592 L596 | T530-L594 HydrophobicContact CG2-CB 4.13Å; T530-L594 PolarHBondContact N-O 3.21Å; T530-L594 WeakPolarHBondContact OG1-CA 3.47Å; T530-L594 WeakPolarHBondContact OG1-CB 3.33Å; T530-L594 PolarHBondContact OG1-N 2.85Å; T530-L594 PolarHBondContact OG1-O 3.37Å; K575-L594 HydrophobicContact CB-CD2 4.46Å; K575-L594 HydrophobicContact CD-CD1 3.95Å; K575-L594 HydrophobicContact CD-CD2 4.05Å; K575-L594 HydrophobicContact CD-CG 4.07Å; K575-L594 VanDerWaalsContact CE-CD1 3.41Å; K575-L594 HydrophobicContact CG-CD1 4.47Å; K575-L594 HydrophobicContact CG-CD2 4Å; K575-L594 HydrophobicContact CG-CG 4.05Å; E592-L594 PolarHBondContact O-N 3.38Å; L594-L596 HydrophobicContact CD2-CD2 3.94Å; L594-L596 HydrophobicContact CD2-CG 4.35Å |
| 595 | K | 81.2 | Confident | 66.2 | Low | 72 Ų | 72 | 83.2 Ų | 83.2 | 31% | 0.313 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.5 | 164.7 | -65.6 | 174.2 | -173.8 | 170.7 | 0 | 109.3 | T526 I527 I576 E578 | T526-K595 HydrophobicContact CG2-CB 4.46Å; I527-K595 WeakPolarHBondContact O-CA 3.46Å; I576-K595 HydrophobicContact CB-CB 4.11Å; I576-K595 HydrophobicContact CD1-CB 4.17Å; I576-K595 HydrophobicContact CG1-CB 4.42Å; I576-K595 PolarHBondContact N-O 2.95Å; E578-K595 IonicContact OE1-NZ 2.75Å; E578-K595 PolarHBondContact OE1-NZ 2.88Å |
| 596 | L | 84.3 | Confident | 68.6 | Low | 28 Ų | 28 | 77.8 Ų | 77.8 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.8 | 179.3 | -70.1 | 174.1 | 0 | 0 | 0 | 110 | T526 I527 T530 Q574 K575 L594 | T526-L596 CarbonylContact C-O 3.52Å; T526-L596 WeakPolarHBondContact CA-O 3.36Å; I527-L596 HydrophobicContact CB-CB 4.19Å; I527-L596 HydrophobicContact CD1-CB 4.27Å; I527-L596 HydrophobicContact CD1-CD1 4.32Å; I527-L596 HydrophobicContact CG1-CB 4.27Å; I527-L596 PolarHBondContact N-O 2.9Å; I527-L596 PolarHBondContact O-N 2.79Å; I527-L596 VanDerWaalsContact O-N 3.1Å; T530-L596 HydrophobicContact CG2-CD1 3.64Å; T530-L596 HydrophobicContact CG2-CG 3.94Å; Q574-L596 CarbonylContact O-C 3.59Å; Q574-L596 WeakPolarHBondContact O-CA 3.11Å; K575-L596 HydrophobicContact CB-CD2 4.48Å; L594-L596 HydrophobicContact CD2-CD2 3.94Å; L594-L596 HydrophobicContact CD2-CG 4.35Å |
| 597 | Q | 89.1 | Confident | 70.9 | Confident | 67 Ų | 67 | 71.8 Ų | 71.8 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116.1 | 169.5 | 176.9 | 170 | 1.6 | 0 | 0 | 109.2 | C573 Q574 I576 | C573-Q597 CarbonylContact C-O 3.59Å; C573-Q597 VanDerWaalsContact CA-O 3.3Å; C573-Q597 WeakPolarHBondContact CA-O 3.37Å; Q574-Q597 PolarHBondContact N-O 2.82Å; Q574-Q597 PolarHBondContact O-N 2.79Å; I576-Q597 HydrophobicContact CD1-CB 4.21Å; I576-Q597 HydrophobicContact CG1-CB 4.19Å |
| 598 | C | 90.3 | Very high | 73.2 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 154.7 | -178.7 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | S524 F525 P571 K572 C573 | S524-C598 WeakPolarHBondContact CA-O 3.2Å; S524-C598 WeakPolarHBondContact CB-O 3.46Å; S524-C598 PolarHBondContact OG-O 3.13Å; F525-C598 HydrophobicContact CD2-CB 4.05Å; F525-C598 HydrophobicContact CE1-CB 4.15Å; F525-C598 HydrophobicContact CE2-CB 3.5Å; F525-C598 VanDerWaalsContact CE2-CB 3.5Å; F525-C598 HydrophobicContact CZ-CB 3.55Å; F525-C598 PolarHBondContact N-O 2.9Å; F525-C598 PolarHBondContact O-N 3.31Å; P571-C598 HydrophobicContact CB-CB 4.11Å; P571-C598 HydrophobicContact CG-CB 4.3Å; K572-C598 CarbonylContact O-C 3.53Å; K572-C598 WeakPolarHBondContact O-CA 3.1Å; C573-C598 HydrophobicContact CB-CB 4.15Å; C573-C598 WeakPolarHBondContact CB-SG 3.39Å; C573-C598 WeakPolarHBondContact SG-CB 3.19Å; C573-C598 CovalentContact SG-SG 2.04Å; C573-C598 PolarHBondContact SG-SG 3.4Å |
| 599 | E | 89.6 | Confident | 76 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127.5 | 171.8 | -168.1 | -174.2 | -119.5 | 0 | 0 | 111.2 | Y517 V523 P571 K572 N601 | Y517-E599 PolarHBondContact OH-OE1 3.48Å; V523-E599 WeakPolarHBondContact O-CA 3.44Å; P571-E599 WeakPolarHBondContact CA-O 3.43Å; P571-E599 VanDerWaalsContact CB-O 3.22Å; P571-E599 WeakPolarHBondContact CB-O 3.43Å; K572-E599 PolarHBondContact N-O 3.08Å; K572-E599 PolarHBondContact O-N 2.72Å; E599-N601 WeakPolarHBondContact CG-ND2 3.21Å; E599-N601 PolarHBondContact OE2-ND2 3.26Å |
| 600 | V | 87.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133.6 | 169.8 | 174.6 | 0 | 0 | 0 | 0 | 108.1 | S522 V523 F525 V544 P571 L603 | S522-V600 CarbonylContact C-O 3.58Å; S522-V600 WeakPolarHBondContact CA-O 3.13Å; S522-V600 WeakPolarHBondContact CB-O 3.4Å; V523-V600 HydrophobicContact CG1-CB 3.95Å; V523-V600 PolarHBondContact N-O 3.5Å; V523-V600 PolarHBondContact O-N 2.88Å; F525-V600 HydrophobicContact CE1-CG2 3.97Å; V544-V600 HydrophobicContact CB-CG2 3.93Å; V544-V600 HydrophobicContact CG1-CG2 4.03Å; V544-V600 HydrophobicContact CG2-CG2 3.71Å; P571-V600 HydrophobicContact CB-CG2 3.95Å; V600-L603 HydrophobicContact CG1-CD1 4.43Å; V600-L603 HydrophobicContact CG1-CD2 4.21Å; V600-L603 HydrophobicContact CG1-CG 4.4Å |
| 601 | N | 86.1 | Confident | 80.6 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 159.3 | -179.2 | -72.6 | -87.7 | 0 | 0 | 0 | 110.7 | S522 E599 I744 | S522-N601 WeakPolarHBondContact CB-OD1 3.47Å; E599-N601 WeakPolarHBondContact CG-ND2 3.21Å; E599-N601 PolarHBondContact OE2-ND2 3.26Å; N601-I744 HydrophobicContact CB-CG2 3.32Å |
| 602 | Y | 82 | Confident | 82.8 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | trans | 80.9 | 42.4 | 173.8 | -52.9 | -1.3 | 0 | 0 | 0 | 112.9 | R521 I744 H745 | R521-Y602 PolarHBondContact O-N 2.98Å; Y602-I744 VanDerWaalsContact CB-CG2 3.47Å; Y602-I744 HydrophobicContact CD1-CB 2.32Å; Y602-I744 HydrophobicContact CD1-CD1 3.03Å; Y602-I744 HydrophobicContact CD1-CG1 2.63Å; Y602-I744 HydrophobicContact CD1-CG2 2.3Å; Y602-I744 HydrophobicContact CD2-CB 2.3Å; Y602-I744 HydrophobicContact CD2-CG1 3.45Å; Y602-I744 VanDerWaalsContact CD2-CG1 3.45Å; Y602-I744 HydrophobicContact CD2-CG2 2.3Å; Y602-I744 HydrophobicContact CE1-CB 2.33Å; Y602-I744 HydrophobicContact CE1-CD1 3.36Å; Y602-I744 HydrophobicContact CE1-CG1 3.23Å; Y602-I744 HydrophobicContact CE1-CG2 2.31Å; Y602-I744 HydrophobicContact CE2-CB 2.31Å; Y602-I744 HydrophobicContact CE2-CG1 3.93Å; Y602-I744 HydrophobicContact CE2-CG2 2.29Å; Y602-I744 VanDerWaalsContact CE2-N 3.28Å; Y602-I744 WeakPolarHBondContact CE2-O 3.39Å; Y602-I744 HydrophobicContact CG-CB 2.32Å; Y602-I744 HydrophobicContact CG-CD1 3.86Å; Y602-I744 HydrophobicContact CG-CG1 2.77Å; Y602-I744 HydrophobicContact CG-CG2 2.3Å; Y602-I744 WeakPolarHBondContact OH-CG2 3.43Å; Y602-H745 WeakPolarHBondContact CE2-O 3.49Å; Y602-H745 VanDerWaalsContact OH-C 3.3Å; Y602-H745 WeakPolarHBondContact OH-CA 3.48Å; Y602-H745 VanDerWaalsContact OH-CB 3.31Å; Y602-H745 WeakPolarHBondContact OH-CB 3.2Å; Y602-H745 PolarHBondContact OH-N 2.85Å; Y602-H745 PolarHBondContact OH-O 3.11Å | ||
| 603 | L | 87.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -87.2 | 156 | 166.7 | -53.5 | -177.3 | 0 | 0 | 0 | 110.2 | R521 V523 Y546 V600 Y609 F631 T633 | R521-L603 WeakPolarHBondContact CA-O 3.41Å; R521-L603 WeakPolarHBondContact CG-O 3.26Å; R521-L603 PolarHBondContact O-N 3.5Å; R521-L603 VanDerWaalsContact O-N 3.15Å; V523-L603 HydrophobicContact CG1-CD1 4Å; Y546-L603 HydrophobicContact CD2-CD2 3.91Å; Y546-L603 HydrophobicContact CE1-CD2 4.42Å; Y546-L603 HydrophobicContact CE2-CD2 3.5Å; Y546-L603 VanDerWaalsContact CE2-CD2 3.5Å; V600-L603 HydrophobicContact CG1-CD1 4.43Å; V600-L603 HydrophobicContact CG1-CD2 4.21Å; V600-L603 HydrophobicContact CG1-CG 4.4Å; L603-Y609 HydrophobicContact CB-CE2 3.83Å; L603-Y609 HydrophobicContact CD1-CD2 4.36Å; L603-Y609 HydrophobicContact CD1-CE2 4.39Å; L603-Y609 HydrophobicContact CD2-CE1 4.24Å; L603-Y609 HydrophobicContact CD2-CE2 4.44Å; L603-Y609 HydrophobicContact CG-CE2 4.45Å; L603-F631 HydrophobicContact CD1-CE2 3.43Å; L603-F631 VanDerWaalsContact CD1-CE2 3.43Å; L603-F631 HydrophobicContact CD1-CZ 3.54Å; L603-T633 HydrophobicContact CB-CG2 3.9Å; L603-T633 HydrophobicContact CD1-CG2 4.22Å |
| 604 | N | 86.7 | Confident | 85.8 | Confident | 93 Ų | 93 | 34.8 Ų | 34.8 | 50% | 0.497 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -79.3 | 143.3 | 176.4 | -69.7 | -21.8 | 0 | 0 | 0 | 110.3 | Q607 Y609 T633 | N604-Q607 HydrophobicContact CB-CB 4.28Å; N604-Y609 PolarHBondContact N-OH 3.25Å; N604-T633 WeakPolarHBondContact O-CB 3.36Å; N604-T633 PolarHBondContact O-OG1 3.24Å |
| 605 | P | 87.6 | Confident | 86.5 | Confident | 10 Ų | 10 | 32 Ų | 32 | 7% | 0.065 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 153.4 | 174.3 | -23.3 | 34.3 | 0 | 0 | 0 | 113.9 | Q520 R521 Q607 K634 D636 N665 | Q520-P605 VanDerWaalsContact O-CA 3.28Å; Q520-P605 WeakPolarHBondContact O-CA 3.45Å; R521-P605 HydrophobicContact CG-CG 4.15Å; P605-Q607 PolarHBondContact O-N 2.94Å; P605-K634 WeakPolarHBondContact CA-O 3.25Å; P605-K634 WeakPolarHBondContact CB-O 3.22Å; P605-D636 HydrophobicContact CB-CB 3.5Å; P605-D636 HydrophobicContact CG-CB 3.35Å; P605-N665 HydrophobicContact CB-CB 4.05Å; P605-N665 HydrophobicContact CG-CB 4.27Å |
| 606 | A | 87.1 | Confident | 86.3 | Confident | 27 Ų | 27 | 32 Ų | 32 | 22% | 0.223 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 6.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117 | Q632 T633 K634 Q635 | A606-Q632 PolarHBondContact O-NE2 2.87Å; A606-T633 VanDerWaalsContact CA-O 3.29Å; A606-T633 WeakPolarHBondContact CA-O 3.28Å; A606-T633 PolarHBondContact N-O 3.35Å; A606-T633 PolarHBondContact N-OG1 2.85Å; A606-T633 VanDerWaalsContact N-OG1 3.16Å; A606-K634 PolarHBondContact N-O 2.96Å; A606-Q635 HydrophobicContact CB-CG 4.14Å |
| 607 | Q | 85.4 | Confident | 85.7 | Confident | 68 Ų | 68 | 31.4 Ų | 31.4 | 32% | 0.318 | 15% | 0.147 | S | C | . | . | trans | -97.6 | 142.4 | -167.6 | -174.2 | 59.2 | 48.2 | 0 | 0 | 112.6 | I549 N604 P605 Y609 Q632 T633 | I549-Q607 PolarHBondContact O-NE2 2.68Å; N604-Q607 HydrophobicContact CB-CB 4.28Å; P605-Q607 PolarHBondContact O-N 2.94Å; Q607-Y609 HydrophobicContact CB-CD2 4.47Å; Q607-Y609 HydrophobicContact CB-CE2 3.75Å; Q607-Y609 HydrophobicContact CG-CD2 4.42Å; Q607-Y609 HydrophobicContact CG-CE2 3.8Å; Q607-Y609 WeakPolarHBondContact O-CD2 3.29Å; Q607-Q632 WeakPolarHBondContact O-CA 3.34Å; Q607-T633 PolarHBondContact N-OG1 3.02Å; Q607-T633 PolarHBondContact O-N 3.21Å; Q607-T633 VanDerWaalsContact O-N 3.08Å; Q607-T633 PolarHBondContact O-OG1 2.78Å | ||
| 608 | R | 87.3 | Confident | 84.5 | Confident | 68 Ų | 68 | 32.7 Ų | 32.7 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 138.9 | 172.7 | -69.9 | -179.6 | 70.3 | -164.3 | 0.1 | 111.4 | I549 L551 E555 Q632 | I549-R608 HydrophobicContact CB-CB 4.36Å; I549-R608 HydrophobicContact CD1-CB 4.46Å; I549-R608 PolarHBondContact N-O 3.41Å; L551-R608 PolarHBondContact O-NH1 3.32Å; E555-R608 IonicContact OE1-NH2 3.26Å; R608-Q632 HydrophobicContact CG-CB 4.11Å; R608-Q632 HydrophobicContact CG-CG 3.96Å |
| 609 | Y | 87.9 | Confident | 83 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.6 | -177.4 | -72.6 | -79.1 | 0 | 0 | 0 | 112.4 | Y546 R547 L603 N604 Q607 T630 F631 T633 | Y546-Y609 AromaticContact CD2-CD1 3.84Å; Y546-Y609 HydrophobicContact CD2-CD1 3.84Å; Y546-Y609 AromaticContact CD2-CE1 3.96Å; Y546-Y609 HydrophobicContact CD2-CE1 3.96Å; Y546-Y609 HydrophobicContact CE2-CD1 4.48Å; Y546-Y609 HydrophobicContact CE2-CE1 4.15Å; R547-Y609 WeakPolarHBondContact O-CA 3.48Å; R547-Y609 WeakPolarHBondContact O-CD1 3.34Å; L603-Y609 HydrophobicContact CB-CE2 3.83Å; L603-Y609 HydrophobicContact CD1-CD2 4.36Å; L603-Y609 HydrophobicContact CD1-CE2 4.39Å; L603-Y609 HydrophobicContact CD2-CE1 4.24Å; L603-Y609 HydrophobicContact CD2-CE2 4.44Å; L603-Y609 HydrophobicContact CG-CE2 4.45Å; N604-Y609 PolarHBondContact N-OH 3.25Å; Q607-Y609 HydrophobicContact CB-CD2 4.47Å; Q607-Y609 HydrophobicContact CB-CE2 3.75Å; Q607-Y609 HydrophobicContact CG-CD2 4.42Å; Q607-Y609 HydrophobicContact CG-CE2 3.8Å; Q607-Y609 WeakPolarHBondContact O-CD2 3.29Å; Y609-T630 VanDerWaalsContact O-CA 3.3Å; Y609-T630 WeakPolarHBondContact O-CA 3.06Å; Y609-F631 AromaticContact CD2-CE2 3.96Å; Y609-F631 HydrophobicContact CD2-CE2 3.96Å; Y609-F631 HydrophobicContact CD2-CZ 4.2Å; Y609-F631 HydrophobicContact CG-CE2 4.24Å; Y609-F631 HydrophobicContact CG-CZ 4.03Å; Y609-F631 PolarHBondContact N-O 3.05Å; Y609-F631 PolarHBondContact O-N 2.98Å; Y609-F631 VanDerWaalsContact O-N 3.08Å; Y609-T633 HydrophobicContact CD2-CG2 4.39Å; Y609-T633 HydrophobicContact CE2-CG2 4.17Å |
| 610 | Q | 85.9 | Confident | 81.6 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.9 | 164 | -105.3 | 163.5 | 13.9 | 0 | 0 | 107.8 | Y546 R547 I549 W566 V628 T630 | Y546-Q610 CarbonylContact C-O 3.57Å; Y546-Q610 WeakPolarHBondContact CA-O 3.08Å; Y546-Q610 WeakPolarHBondContact CB-O 3.34Å; R547-Q610 HydrophobicContact CG-CB 4.06Å; R547-Q610 PolarHBondContact N-O 3.38Å; R547-Q610 PolarHBondContact O-N 2.98Å; I549-Q610 HydrophobicContact CD1-CB 4.03Å; I549-Q610 HydrophobicContact CD1-CG 3.61Å; I549-Q610 HydrophobicContact CG1-CB 3.96Å; I549-Q610 HydrophobicContact CG1-CG 3.96Å; W566-Q610 HydrophobicContact CH2-CB 4.28Å; W566-Q610 HydrophobicContact CZ3-CB 4.4Å; Q610-V628 HydrophobicContact CB-CG1 4.29Å; Q610-V628 HydrophobicContact CG-CG1 3.97Å; Q610-T630 HydrophobicContact CG-CG2 3.59Å |
| 611 | A | 87.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 155.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | V544 Y545 V628 F629 F631 | V544-A611 HydrophobicContact CG1-CB 4.21Å; Y545-A611 CarbonylContact O-C 3.55Å; Y545-A611 WeakPolarHBondContact O-CA 3.33Å; Y545-A611 WeakPolarHBondContact O-CB 3.41Å; A611-V628 CarbonylContact O-C 3.58Å; A611-V628 VanDerWaalsContact O-CA 3.31Å; A611-V628 WeakPolarHBondContact O-CA 3.46Å; A611-F629 HydrophobicContact CB-CD2 4.46Å; A611-F629 HydrophobicContact CB-CE1 3.95Å; A611-F629 HydrophobicContact CB-CE2 3.91Å; A611-F629 HydrophobicContact CB-CZ 3.63Å; A611-F629 PolarHBondContact N-O 2.9Å; A611-F629 WeakPolarHBondContact O-CD1 3.24Å; A611-F629 WeakPolarHBondContact O-CE1 3.09Å; A611-F629 PolarHBondContact O-N 2.93Å; A611-F631 HydrophobicContact CB-CE1 4Å |
| 612 | Y | 88.1 | Confident | 80.1 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 13% | 0.125 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.6 | 166.8 | 70.4 | -98.9 | 0 | 0 | 0 | 111.2 | V544 Y545 W566 E614 L625 V628 | V544-Y612 WeakPolarHBondContact CA-O 3.15Å; Y545-Y612 VanDerWaalsContact CB-CZ 3.45Å; Y545-Y612 HydrophobicContact CD1-CE2 4.48Å; Y545-Y612 AromaticContact CD1-CZ 3.94Å; Y545-Y612 WeakPolarHBondContact CD1-OH 3.21Å; Y545-Y612 AromaticContact CD2-CD2 3.99Å; Y545-Y612 HydrophobicContact CD2-CD2 3.99Å; Y545-Y612 HydrophobicContact CD2-CE1 4.46Å; Y545-Y612 AromaticContact CD2-CE2 3.26Å; Y545-Y612 HydrophobicContact CD2-CE2 3.26Å; Y545-Y612 AromaticContact CD2-CZ 3.55Å; Y545-Y612 AromaticContact CE2-CE2 3.87Å; Y545-Y612 HydrophobicContact CE2-CE2 3.87Å; Y545-Y612 HydrophobicContact CG-CD2 4.42Å; Y545-Y612 AromaticContact CG-CE1 3.99Å; Y545-Y612 HydrophobicContact CG-CE1 3.99Å; Y545-Y612 AromaticContact CG-CE2 3.63Å; Y545-Y612 HydrophobicContact CG-CE2 3.63Å; Y545-Y612 AromaticContact CG-CZ 3.37Å; Y545-Y612 VanDerWaalsContact CG-OH 3.27Å; Y545-Y612 PolarHBondContact N-O 3.11Å; Y545-Y612 PolarHBondContact O-N 2.71Å; W566-Y612 HydrophobicContact CD2-CE1 4.03Å; W566-Y612 HydrophobicContact CE3-CD1 4.11Å; W566-Y612 AromaticContact CE3-CE1 3.95Å; W566-Y612 HydrophobicContact CE3-CE1 3.95Å; W566-Y612 HydrophobicContact CH2-CD1 4.1Å; W566-Y612 HydrophobicContact CH2-CE1 4.36Å; W566-Y612 HydrophobicContact CZ2-CE1 4.44Å; W566-Y612 AromaticContact CZ3-CD1 3.85Å; W566-Y612 HydrophobicContact CZ3-CD1 3.85Å; W566-Y612 HydrophobicContact CZ3-CE1 4.11Å; Y612-E614 HydrophobicContact CE2-CB 4.46Å; Y612-L625 HydrophobicContact CD2-CD1 3.68Å; Y612-L625 HydrophobicContact CE2-CD1 3.74Å; Y612-V628 HydrophobicContact CD1-CG2 4.42Å |
| 613 | V | 88.4 | Confident | 80 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.6 | 178.2 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | L511 L513 F525 I527 T542 T543 V544 L625 S626 F629 | L511-V613 HydrophobicContact CD1-CB 4.35Å; L511-V613 HydrophobicContact CD1-CG1 3.77Å; L513-V613 HydrophobicContact CD1-CB 4.12Å; L513-V613 HydrophobicContact CD1-CG2 3.56Å; L513-V613 HydrophobicContact CD2-CB 4.39Å; L513-V613 HydrophobicContact CD2-CG2 4.07Å; L513-V613 HydrophobicContact CG-CG2 4.48Å; F525-V613 HydrophobicContact CD2-CG2 4.4Å; F525-V613 HydrophobicContact CE1-CG2 4.47Å; F525-V613 HydrophobicContact CE2-CG2 3.53Å; F525-V613 HydrophobicContact CZ-CG2 3.58Å; I527-V613 HydrophobicContact CD1-CG1 4.04Å; T542-V613 HydrophobicContact CG2-CG1 3.48Å; T542-V613 VanDerWaalsContact CG2-CG1 3.48Å; T543-V613 WeakPolarHBondContact O-CA 3.45Å; V544-V613 HydrophobicContact CG2-CG2 3.98Å; V613-L625 CarbonylContact O-C 3.58Å; V613-L625 WeakPolarHBondContact O-CA 3.32Å; V613-S626 PolarHBondContact N-OG 2.94Å; V613-S626 PolarHBondContact O-N 2.71Å; V613-F629 HydrophobicContact CG2-CE1 4.22Å |
| 614 | E | 84.2 | Confident | 79.8 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.5 | 172.2 | -164 | -174.7 | -156.6 | 0 | 0 | 110.1 | L505 T543 Y545 Y612 R616 A624 L625 | L505-E614 HydrophobicContact CD1-CG 3.54Å; L505-E614 WeakPolarHBondContact CD1-OE1 3.49Å; T543-E614 PolarHBondContact N-O 3.38Å; T543-E614 PolarHBondContact O-N 2.79Å; Y545-E614 HydrophobicContact CD2-CB 4.29Å; Y545-E614 HydrophobicContact CE2-CB 3.76Å; Y545-E614 HydrophobicContact CE2-CG 4.47Å; Y545-E614 WeakPolarHBondContact CE2-OE2 3.46Å; Y545-E614 PolarHBondContact OH-OE2 2.64Å; Y612-E614 HydrophobicContact CE2-CB 4.46Å; E614-R616 HydrophobicContact CG-CG 4.22Å; E614-R616 IonicContact OE1-CZ 2.67Å; E614-R616 IonicContact OE1-NE 2.69Å; E614-R616 PolarHBondContact OE1-NE 2.91Å; E614-R616 IonicContact OE1-NH2 3.49Å; E614-R616 PolarHBondContact OE1-NH2 3.42Å; E614-R616 IonicContact OE2-CZ 3.96Å; E614-R616 IonicContact OE2-NE 3.19Å; E614-R616 PolarHBondContact OE2-NE 2.94Å; E614-R616 IonicContact OE2-NH2 2.81Å; E614-R616 PolarHBondContact OE2-NH2 3.48Å; E614-A624 CarbonylContact C-O 3.58Å; E614-A624 WeakPolarHBondContact CA-O 3.44Å; E614-L625 HydrophobicContact CB-CD1 4.06Å; E614-L625 HydrophobicContact CG-CD1 3.98Å |
| 615 | I | 83.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.1 | 165.6 | -57 | 174 | 0 | 0 | 0 | 106.5 | L511 I527 W533 V539 T542 G623 A624 | L511-I615 HydrophobicContact CD1-CD1 3.88Å; L511-I615 HydrophobicContact CD1-CG1 4.01Å; L511-I615 HydrophobicContact CD2-CD1 4.29Å; I527-I615 HydrophobicContact CD1-CD1 4.2Å; W533-I615 HydrophobicContact CH2-CB 4.13Å; W533-I615 HydrophobicContact CH2-CD1 4.36Å; W533-I615 HydrophobicContact CH2-CG2 3.57Å; W533-I615 HydrophobicContact CZ2-CG2 4.18Å; W533-I615 HydrophobicContact CZ3-CG2 4.22Å; V539-I615 HydrophobicContact CG1-CG2 3.47Å; V539-I615 VanDerWaalsContact CG1-CG2 3.47Å; T542-I615 HydrophobicContact CG2-CG1 4.19Å; I615-G623 CarbonylContact O-C 3.23Å; I615-G623 WeakPolarHBondContact O-CA 3.32Å; I615-A624 HydrophobicContact CB-CB 4.48Å; I615-A624 PolarHBondContact N-O 3.14Å; I615-A624 PolarHBondContact O-N 3.04Å |
| 616 | R | 76.2 | Confident | 79.9 | Confident | 73 Ų | 73 | 38 Ų | 38 | 28% | 0.275 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 158.1 | -179.7 | -67.8 | -174.7 | 178.9 | 152.3 | 7.3 | 111.3 | L505 L540 Y545 E614 | L505-R616 HydrophobicContact CD2-CG 3.96Å; L505-R616 HydrophobicContact CG-CG 4.2Å; L540-R616 HydrophobicContact CB-CB 4.43Å; L540-R616 WeakPolarHBondContact CB-O 3.39Å; L540-R616 HydrophobicContact CD1-CB 3.99Å; L540-R616 PolarHBondContact N-O 2.87Å; Y545-R616 PolarHBondContact OH-NH2 3.21Å; E614-R616 HydrophobicContact CG-CG 4.22Å; E614-R616 IonicContact OE1-CZ 2.67Å; E614-R616 IonicContact OE1-NE 2.69Å; E614-R616 PolarHBondContact OE1-NE 2.91Å; E614-R616 IonicContact OE1-NH2 3.49Å; E614-R616 PolarHBondContact OE1-NH2 3.42Å; E614-R616 IonicContact OE2-CZ 3.96Å; E614-R616 IonicContact OE2-NE 3.19Å; E614-R616 PolarHBondContact OE2-NE 2.94Å; E614-R616 IonicContact OE2-NH2 2.81Å; E614-R616 PolarHBondContact OE2-NH2 3.48Å |
| 617 | T | 71.4 | Confident | 79.8 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 9% | 0.092 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -99.9 | 147.9 | 161.7 | 57 | 0 | 0 | 0 | 0 | 111.3 | W533 Q538 V539 F619 E622 | W533-T617 HydrophobicContact CD2-CG2 4.47Å; W533-T617 HydrophobicContact CG-CG2 4.15Å; Q538-T617 CarbonylContact O-C 3.59Å; Q538-T617 VanDerWaalsContact O-CA 3.23Å; Q538-T617 WeakPolarHBondContact O-CA 3.43Å; V539-T617 HydrophobicContact CG2-CG2 4.49Å; T617-F619 WeakPolarHBondContact CB-O 3.25Å; T617-F619 PolarHBondContact O-N 2.78Å; T617-F619 PolarHBondContact OG1-O 3.49Å; T617-E622 HydrophobicContact CG2-CB 4.4Å; T617-E622 PolarHBondContact N-O 2.88Å; T617-E622 PolarHBondContact OG1-N 2.76Å; T617-E622 PolarHBondContact OG1-O 3.47Å |
| 618 | M | 63.9 | Low | 79.7 | Confident | 94 Ų | 94 | 41.9 Ų | 41.9 | 46% | 0.463 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -66.1 | -21.7 | 176.4 | -70.4 | -160.8 | -65.3 | 0 | 0 | 113.3 | Q538 L540 | Q538-M618 PolarHBondContact O-N 2.81Å; L540-M618 HydrophobicContact CD1-CG 4.26Å; L540-M618 HydrophobicContact CD2-CG 3.6Å; L540-M618 HydrophobicContact CD2-SD 4.17Å; L540-M618 HydrophobicContact CG-CG 3.74Å |
| 619 | F | 59.4 | Low | 79.7 | Confident | 124 Ų | 124 | 40.3 Ų | 40.3 | 54% | 0.544 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -135.3 | 163 | -178.8 | -52.7 | -69.2 | 0 | 0 | 0 | 109.7 | Q538 T617 S621 | Q538-F619 HydrophobicContact CG-CD2 4.1Å; T617-F619 WeakPolarHBondContact CB-O 3.25Å; T617-F619 PolarHBondContact O-N 2.78Å; T617-F619 PolarHBondContact OG1-O 3.49Å; F619-S621 PolarHBondContact O-N 2.94Å |
| 620 | N | 60.1 | Low | 79.8 | Confident | 110 Ų | 110 | 42.3 Ų | 42.3 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68 | -0.8 | 178.3 | -51.8 | -20.7 | 0 | 0 | 0 | 117.5 | E622 | N620-E622 HydrophobicContact CB-CG 3.74Å; N620-E622 WeakPolarHBondContact O-CG 3.41Å; N620-E622 PolarHBondContact O-N 3.29Å |
| 621 | S | 67.8 | Low | 80 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 35.3 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 113.6 | G501 G504 C506 R507 F619 | G501-S621 PolarHBondContact O-OG 3.01Å; G504-S621 WeakPolarHBondContact O-CB 3.47Å; C506-S621 PolarHBondContact N-O 3.12Å; C506-S621 VanDerWaalsContact SG-CB 3.59Å; R507-S621 PolarHBondContact N-O 2.76Å; R507-S621 VanDerWaalsContact N-O 3.14Å; F619-S621 PolarHBondContact O-N 2.94Å |
| 622 | E | 75.5 | Confident | 80.1 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 20% | 0.201 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 165.9 | 178.5 | -45.6 | -166 | 138.8 | 0 | 0 | 110.8 | L505 R507 T617 N620 | L505-E622 WeakPolarHBondContact CD2-O 3.14Å; R507-E622 HydrophobicContact CB-CB 4.24Å; R507-E622 HydrophobicContact CB-CG 4.03Å; R507-E622 WeakPolarHBondContact CD-OE1 3.31Å; R507-E622 IonicContact CZ-OE1 3.11Å; R507-E622 IonicContact NE-OE1 3.3Å; R507-E622 IonicContact NH1-OE1 2.71Å; R507-E622 PolarHBondContact NH1-OE1 3.39Å; R507-E622 CarbonylContact O-C 3.53Å; R507-E622 WeakPolarHBondContact O-CA 3.49Å; T617-E622 HydrophobicContact CG2-CB 4.4Å; T617-E622 PolarHBondContact N-O 2.88Å; T617-E622 PolarHBondContact OG1-N 2.76Å; T617-E622 PolarHBondContact OG1-O 3.47Å; N620-E622 HydrophobicContact CB-CG 3.74Å; N620-E622 WeakPolarHBondContact O-CG 3.41Å; N620-E622 PolarHBondContact O-N 3.29Å |
| 623 | G | 78.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | -158 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R507 H509 I615 | R507-G623 PolarHBondContact O-N 2.93Å; H509-G623 PolarHBondContact CD2-O 3.36Å; H509-G623 PolarHBondContact N-O 3.47Å; I615-G623 CarbonylContact O-C 3.23Å; I615-G623 WeakPolarHBondContact O-CA 3.32Å |
| 624 | A | 83.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H509 L511 P531 W533 E614 I615 | H509-A624 HydrophobicContact CB-CB 4.04Å; H509-A624 CarbonylContact O-C 3.45Å; H509-A624 WeakPolarHBondContact O-CA 3.36Å; L511-A624 HydrophobicContact CD1-CB 3.95Å; L511-A624 HydrophobicContact CD2-CB 3.5Å; L511-A624 VanDerWaalsContact CD2-CB 3.5Å; L511-A624 HydrophobicContact CG-CB 3.55Å; P531-A624 HydrophobicContact CG-CB 3.96Å; W533-A624 HydrophobicContact CH2-CB 4.28Å; W533-A624 HydrophobicContact CZ2-CB 4.12Å; E614-A624 CarbonylContact C-O 3.58Å; E614-A624 WeakPolarHBondContact CA-O 3.44Å; I615-A624 HydrophobicContact CB-CB 4.48Å; I615-A624 PolarHBondContact N-O 3.14Å; I615-A624 PolarHBondContact O-N 3.04Å |
| 625 | L | 86.9 | Confident | 80.5 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 138.7 | -176.1 | -165.4 | 76.3 | 0 | 0 | 0 | 109.6 | H509 R510 L511 Y612 V613 E614 | H509-L625 PolarHBondContact O-N 3.02Å; R510-L625 WeakPolarHBondContact CA-O 3.4Å; L511-L625 PolarHBondContact N-O 3.39Å; Y612-L625 HydrophobicContact CD2-CD1 3.68Å; Y612-L625 HydrophobicContact CE2-CD1 3.74Å; V613-L625 CarbonylContact O-C 3.58Å; V613-L625 WeakPolarHBondContact O-CA 3.32Å; E614-L625 HydrophobicContact CB-CD1 4.06Å; E614-L625 HydrophobicContact CG-CD1 3.98Å |
| 626 | S | 89 | Confident | 80.6 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 167.4 | 169.6 | 76.4 | 0 | 0 | 0 | 0 | 112 | L511 V613 | L511-S626 WeakPolarHBondContact O-CA 3.43Å; V613-S626 PolarHBondContact N-OG 2.94Å; V613-S626 PolarHBondContact O-N 2.71Å |
| 627 | E | 85.2 | Confident | 80.9 | Confident | 118 Ų | 118 | 53 Ų | 53 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 161.1 | 155.5 | -74.6 | 175.3 | 157.9 | 0 | 0 | 110.5 | R510 | R510-E627 VanDerWaalsContact CZ-CD 3.42Å; R510-E627 IonicContact CZ-OE1 3.4Å; R510-E627 VanDerWaalsContact CZ-OE1 3.23Å; R510-E627 IonicContact CZ-OE2 3.15Å; R510-E627 VanDerWaalsContact NH1-CD 3.28Å; R510-E627 IonicContact NH1-OE1 2.72Å; R510-E627 PolarHBondContact NH1-OE1 3.11Å; R510-E627 IonicContact NH1-OE2 3.17Å; R510-E627 IonicContact NH2-OE1 3.48Å; R510-E627 PolarHBondContact NH2-OE1 3.33Å; R510-E627 VanDerWaalsContact NH2-OE1 3.09Å; R510-E627 IonicContact NH2-OE2 2.68Å; R510-E627 PolarHBondContact NH2-OE2 2.82Å |
| 628 | V | 83.8 | Confident | 81.7 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 129.9 | 173.4 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | W566 Q610 A611 Y612 | W566-V628 HydrophobicContact CH2-CG1 4.36Å; Q610-V628 HydrophobicContact CB-CG1 4.29Å; Q610-V628 HydrophobicContact CG-CG1 3.97Å; A611-V628 CarbonylContact O-C 3.58Å; A611-V628 VanDerWaalsContact O-CA 3.31Å; A611-V628 WeakPolarHBondContact O-CA 3.46Å; Y612-V628 HydrophobicContact CD1-CG2 4.42Å |
| 629 | F | 87.6 | Confident | 82.7 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 153.2 | 175.6 | 62.8 | -83.3 | 0 | 0 | 0 | 110.5 | L513 I515 F525 A611 V613 F631 | L513-F629 HydrophobicContact CD1-CD1 3.61Å; L513-F629 HydrophobicContact CD1-CE1 3.43Å; L513-F629 VanDerWaalsContact CD1-CE1 3.43Å; L513-F629 HydrophobicContact CD1-CZ 4.28Å; I515-F629 HydrophobicContact CD1-CD2 4.1Å; I515-F629 HydrophobicContact CG1-CD2 4.45Å; F525-F629 HydrophobicContact CD1-CZ 4.35Å; F525-F629 HydrophobicContact CE1-CZ 4.48Å; A611-F629 HydrophobicContact CB-CD2 4.46Å; A611-F629 HydrophobicContact CB-CE1 3.95Å; A611-F629 HydrophobicContact CB-CE2 3.91Å; A611-F629 HydrophobicContact CB-CZ 3.63Å; A611-F629 PolarHBondContact N-O 2.9Å; A611-F629 WeakPolarHBondContact O-CD1 3.24Å; A611-F629 WeakPolarHBondContact O-CE1 3.09Å; A611-F629 PolarHBondContact O-N 2.93Å; V613-F629 HydrophobicContact CG2-CE1 4.22Å; F629-F631 HydrophobicContact CD2-CD1 4.05Å; F629-F631 AromaticContact CE2-CD1 3.9Å; F629-F631 HydrophobicContact CE2-CD1 3.9Å; F629-F631 HydrophobicContact CE2-CE1 4.04Å |
| 630 | T | 88.9 | Confident | 84 | Confident | 52 Ų | 52 | 45 Ų | 45 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 147.6 | -179.7 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | I549 E555 Y609 Q610 | I549-T630 HydrophobicContact CD1-CG2 4.19Å; E555-T630 HydrophobicContact CG-CG2 4.38Å; E555-T630 WeakPolarHBondContact OE1-CB 3.35Å; E555-T630 VanDerWaalsContact OE1-CG2 3.24Å; E555-T630 WeakPolarHBondContact OE1-CG2 3.46Å; E555-T630 PolarHBondContact OE1-OG1 3.1Å; Y609-T630 VanDerWaalsContact O-CA 3.3Å; Y609-T630 WeakPolarHBondContact O-CA 3.06Å; Q610-T630 HydrophobicContact CG-CG2 3.59Å |
| 631 | F | 90.8 | Very high | 85.2 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 166.8 | 179.2 | 66.5 | -85.1 | 0 | 0 | 0 | 111.3 | I515 V518 V523 L603 Y609 A611 F629 T633 | I515-F631 HydrophobicContact CD1-CB 4.11Å; V518-F631 HydrophobicContact CG1-CD2 4.17Å; V523-F631 HydrophobicContact CB-CD2 4.24Å; V523-F631 HydrophobicContact CB-CE2 3.97Å; V523-F631 HydrophobicContact CB-CZ 4.34Å; V523-F631 HydrophobicContact CG1-CD2 4.41Å; V523-F631 HydrophobicContact CG1-CE1 4.22Å; V523-F631 HydrophobicContact CG1-CE2 3.75Å; V523-F631 HydrophobicContact CG1-CZ 3.64Å; V523-F631 HydrophobicContact CG2-CD2 4.37Å; V523-F631 HydrophobicContact CG2-CE2 4.5Å; L603-F631 HydrophobicContact CD1-CE2 3.43Å; L603-F631 VanDerWaalsContact CD1-CE2 3.43Å; L603-F631 HydrophobicContact CD1-CZ 3.54Å; Y609-F631 AromaticContact CD2-CE2 3.96Å; Y609-F631 HydrophobicContact CD2-CE2 3.96Å; Y609-F631 HydrophobicContact CD2-CZ 4.2Å; Y609-F631 HydrophobicContact CG-CE2 4.24Å; Y609-F631 HydrophobicContact CG-CZ 4.03Å; Y609-F631 PolarHBondContact N-O 3.05Å; Y609-F631 PolarHBondContact O-N 2.98Å; Y609-F631 VanDerWaalsContact O-N 3.08Å; A611-F631 HydrophobicContact CB-CE1 4Å; F629-F631 HydrophobicContact CD2-CD1 4.05Å; F629-F631 AromaticContact CE2-CD1 3.9Å; F629-F631 HydrophobicContact CE2-CD1 3.9Å; F629-F631 HydrophobicContact CE2-CE1 4.04Å; F631-T633 HydrophobicContact CE2-CG2 4.48Å |
| 632 | Q | 90.3 | Very high | 86.1 | Confident | 108 Ų | 108 | 40.6 Ų | 40.6 | 51% | 0.505 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134.1 | 177.5 | -172.8 | 173.3 | 2.9 | 0 | 0 | 110.5 | V518 A606 Q607 R608 | V518-Q632 WeakPolarHBondContact CG1-O 3.4Å; A606-Q632 PolarHBondContact O-NE2 2.87Å; Q607-Q632 WeakPolarHBondContact O-CA 3.34Å; R608-Q632 HydrophobicContact CG-CB 4.11Å; R608-Q632 HydrophobicContact CG-CG 3.96Å |
| 633 | T | 91.2 | Very high | 86.5 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 155.6 | 175.6 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | V518 H519 Q520 L603 N604 A606 Q607 Y609 F631 | V518-T633 HydrophobicContact CG1-CG2 4.45Å; H519-T633 WeakPolarHBondContact O-CA 3.45Å; Q520-T633 WeakPolarHBondContact O-CB 3.4Å; L603-T633 HydrophobicContact CB-CG2 3.9Å; L603-T633 HydrophobicContact CD1-CG2 4.22Å; N604-T633 WeakPolarHBondContact O-CB 3.36Å; N604-T633 PolarHBondContact O-OG1 3.24Å; A606-T633 VanDerWaalsContact CA-O 3.29Å; A606-T633 WeakPolarHBondContact CA-O 3.28Å; A606-T633 PolarHBondContact N-O 3.35Å; A606-T633 PolarHBondContact N-OG1 2.85Å; A606-T633 VanDerWaalsContact N-OG1 3.16Å; Q607-T633 PolarHBondContact N-OG1 3.02Å; Q607-T633 PolarHBondContact O-N 3.21Å; Q607-T633 VanDerWaalsContact O-N 3.08Å; Q607-T633 PolarHBondContact O-OG1 2.78Å; Y609-T633 HydrophobicContact CD2-CG2 4.39Å; Y609-T633 HydrophobicContact CE2-CG2 4.17Å; F631-T633 HydrophobicContact CE2-CG2 4.48Å |
| 634 | K | 90.3 | Very high | 87 | Confident | 52 Ų | 52 | 43.6 Ų | 43.6 | 23% | 0.226 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 165.4 | 177.6 | -66.9 | 178.4 | -179.5 | 163 | 0 | 112.5 | V518 H519 Q520 P605 A606 N896 E898 | V518-K634 WeakPolarHBondContact O-CE 3.33Å; V518-K634 PolarHBondContact O-NZ 2.76Å; V518-K634 VanDerWaalsContact O-NZ 3.14Å; H519-K634 PolarHBondContact O-N 3.44Å; Q520-K634 WeakPolarHBondContact CA-O 3.31Å; Q520-K634 HydrophobicContact CG-CB 4.13Å; P605-K634 WeakPolarHBondContact CA-O 3.25Å; P605-K634 WeakPolarHBondContact CB-O 3.22Å; A606-K634 PolarHBondContact N-O 2.96Å; K634-N896 VanDerWaalsContact CD-O 3.23Å; K634-N896 WeakPolarHBondContact CD-O 3.24Å; K634-E898 WeakPolarHBondContact CE-OE1 3.44Å; K634-E898 IonicContact NZ-OE1 3.65Å; K634-E898 PolarHBondContact NZ-OE1 2.87Å |
| 635 | Q | 87 | Confident | 87.2 | Confident | 66 Ų | 66 | 47.6 Ų | 47.6 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -72.6 | 146.6 | 176.4 | -61.3 | -176.6 | 6.3 | 0 | 0 | 111.3 | Q520 A606 N665 | Q520-Q635 WeakPolarHBondContact CG-O 3.45Å; A606-Q635 HydrophobicContact CB-CG 4.14Å; Q635-N665 WeakPolarHBondContact CA-O 3.42Å |
| 636 | D | 84.2 | Confident | 87.2 | Confident | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | trans | -132.4 | 161.5 | -179.6 | -171.6 | 14.2 | 0 | 0 | 0 | 109.8 | Q520 R521 P605 N665 H890 | Q520-D636 HydrophobicContact CB-CB 4.02Å; Q520-D636 HydrophobicContact CG-CB 4.02Å; R521-D636 IonicContact CZ-OD2 3.3Å; R521-D636 IonicContact NE-OD2 2.71Å; R521-D636 PolarHBondContact NE-OD2 3Å; R521-D636 IonicContact NH2-OD2 2.77Å; R521-D636 PolarHBondContact NH2-OD2 3.09Å; P605-D636 HydrophobicContact CB-CB 3.5Å; P605-D636 HydrophobicContact CG-CB 3.35Å; D636-N665 HydrophobicContact CB-CB 4.21Å; D636-N665 PolarHBondContact N-O 3.07Å; D636-N665 VanDerWaalsContact N-O 3.13Å; D636-N665 WeakPolarHBondContact O-CB 3.23Å; D636-H890 PolarHBondContact O-CE1 3.11Å | ||
| 637 | K | 83.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 48.5 Ų | 48.5 | 30% | 0.296 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -48.1 | 123.6 | -177.3 | -168.1 | -176.1 | -171.8 | 71.5 | 0 | 111.7 | N665 M919 P920 C922 | K637-N665 PolarHBondContact O-ND2 3.41Å; K637-M919 PolarHBondContact NZ-O 1.75Å; K637-P920 WeakPolarHBondContact CA-O 3.24Å; K637-P920 VanDerWaalsContact CB-O 3.32Å; K637-P920 WeakPolarHBondContact CB-O 3.5Å; K637-P920 WeakPolarHBondContact CG-O 3.22Å; K637-C922 WeakPolarHBondContact CE-O 3.39Å; K637-C922 VanDerWaalsContact CG-O 3.25Å; K637-C922 WeakPolarHBondContact CG-O 3.49Å; K637-C922 PolarHBondContact NZ-O 2.94Å |
| 638 | P | 88.1 | Confident | 87.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 154.5 | 179 | 23.6 | -30.4 | 0 | 0 | 0 | 112 | I668 A888 S923 | P638-I668 HydrophobicContact CB-CD1 3.69Å; P638-I668 HydrophobicContact CG-CD1 4.25Å; P638-A888 WeakPolarHBondContact CG-O 3.39Å; P638-S923 WeakPolarHBondContact O-CA 3.3Å; P638-S923 WeakPolarHBondContact O-CB 3.49Å |
| 639 | S | 85.1 | Confident | 87.4 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 166.1 | 169.6 | 62.6 | 0 | 0 | 0 | 0 | 112 | P661 N663 S923 | S639-P661 VanDerWaalsContact O-CB 3.25Å; S639-P661 WeakPolarHBondContact O-CB 3.44Å; S639-P661 WeakPolarHBondContact O-CG 3.48Å; S639-P661 VanDerWaalsContact OG-CB 3.22Å; S639-P661 WeakPolarHBondContact OG-CB 3.15Å; S639-N663 PolarHBondContact N-O 3.25Å; S639-N663 PolarHBondContact OG-N 2.94Å; S639-N663 PolarHBondContact OG-O 3.31Å; S639-S923 WeakPolarHBondContact O-CB 3.18Å |
| 640 | S | 85.6 | Confident | 87.4 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 150.2 | 175 | -58.3 | 0 | 0 | 0 | 0 | 112 | P661 T924 | S640-P661 WeakPolarHBondContact O-CB 3.27Å; S640-T924 WeakPolarHBondContact OG-CB 3.36Å; S640-T924 PolarHBondContact OG-O 2.53Å; S640-T924 VanDerWaalsContact OG-O 3.04Å; S640-T924 PolarHBondContact OG-OG1 2.87Å |
| 641 | P | 86.4 | Confident | 87.4 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 138.5 | 163.2 | -22.3 | 33.7 | 0 | 0 | 0 | 111.3 | W658 Y671 I886 A888 S926 | P641-W658 HydrophobicContact CB-CB 4.27Å; P641-W658 HydrophobicContact CB-CG 4.27Å; P641-Y671 HydrophobicContact CB-CE1 4.39Å; P641-Y671 HydrophobicContact CG-CD1 3.96Å; P641-Y671 HydrophobicContact CG-CE1 3.94Å; P641-I886 HydrophobicContact CB-CG2 4.39Å; P641-I886 HydrophobicContact CG-CG1 4.41Å; P641-I886 HydrophobicContact CG-CG2 4.14Å; P641-A888 HydrophobicContact CG-CB 4.18Å; P641-S926 PolarHBondContact O-OG 2.99Å |
| 642 | I | 85.6 | Confident | 87.4 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 25% | 0.251 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 163.5 | -179.3 | 73.3 | -169.4 | 0 | 0 | 0 | 110.4 | F644 N659 D662 | I642-F644 PolarHBondContact O-N 3.35Å; I642-F644 VanDerWaalsContact O-N 3.13Å; I642-N659 HydrophobicContact CD1-CB 4.15Å; I642-N659 HydrophobicContact CG1-CB 3.47Å; I642-N659 VanDerWaalsContact CG1-CB 3.47Å; I642-N659 PolarHBondContact N-O 3.49Å; I642-N659 PolarHBondContact O-N 3.2Å; I642-D662 WeakPolarHBondContact CD1-OD1 3.3Å |
| 643 | D | 84.8 | Confident | 87.4 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 39.4 | -179.9 | -51.4 | -35.5 | 0 | 0 | 0 | 114.6 | H645 N659 | D643-H645 PolarHBondContact O-CD2 2.04Å; D643-H645 PolarHBondContact O-N 2.86Å; D643-N659 HydrophobicContact CB-CB 4.47Å; D643-N659 PolarHBondContact OD2-ND2 3.39Å |
| 644 | F | 88.6 | Confident | 87.4 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 114.6 | 178.8 | 179.9 | -136.7 | 0 | 0 | 0 | 111.2 | I642 L656 Y657 W658 L673 F884 I886 I928 | I642-F644 PolarHBondContact O-N 3.35Å; I642-F644 VanDerWaalsContact O-N 3.13Å; F644-L656 HydrophobicContact CE2-CB 4.4Å; F644-L656 HydrophobicContact CE2-CD2 3.8Å; F644-L656 HydrophobicContact CZ-CD2 3.83Å; F644-Y657 WeakPolarHBondContact CA-O 3.18Å; F644-W658 HydrophobicContact CB-CB 4.21Å; F644-W658 HydrophobicContact CD2-CB 4.11Å; F644-W658 HydrophobicContact CD2-CE3 4.11Å; F644-W658 HydrophobicContact CE2-CE3 4.14Å; F644-L673 HydrophobicContact CE2-CD1 4.43Å; F644-L673 HydrophobicContact CZ-CD1 3.9Å; F644-F884 HydrophobicContact CE1-CB 4.38Å; F644-F884 HydrophobicContact CZ-CB 4.01Å; F644-I886 HydrophobicContact CB-CG2 4.43Å; F644-I886 HydrophobicContact CD1-CG2 3.59Å; F644-I886 HydrophobicContact CD2-CG2 3.86Å; F644-I886 HydrophobicContact CE1-CB 4.23Å; F644-I886 HydrophobicContact CE1-CG2 3.61Å; F644-I886 HydrophobicContact CE2-CB 4.3Å; F644-I886 HydrophobicContact CE2-CG2 3.88Å; F644-I886 HydrophobicContact CG-CG2 3.71Å; F644-I886 HydrophobicContact CZ-CB 4.04Å; F644-I886 HydrophobicContact CZ-CG2 3.76Å; F644-I928 HydrophobicContact CD1-CB 4.34Å; F644-I928 HydrophobicContact CD1-CG2 4.05Å; F644-I928 HydrophobicContact CE1-CB 4.29Å; F644-I928 HydrophobicContact CE1-CG2 3.62Å; F644-I928 HydrophobicContact CZ-CG2 3.95Å |
| 645 | H | 87.9 | Confident | 87.4 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 38% | 0.384 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 156.1 | -176.5 | -70.9 | -70.6 | 0 | 0 | 0 | 111.9 | D643 L656 Y657 | D643-H645 PolarHBondContact O-CD2 2.04Å; D643-H645 PolarHBondContact O-N 2.86Å; H645-L656 VanDerWaalsContact O-CA 3.29Å; H645-L656 WeakPolarHBondContact O-CA 3.22Å; H645-Y657 HydrophobicContact CB-CD1 4.13Å; H645-Y657 HydrophobicContact CB-CD2 4.18Å; H645-Y657 HydrophobicContact CB-CE1 3.61Å; H645-Y657 HydrophobicContact CB-CE2 3.67Å; H645-Y657 HydrophobicContact CB-CG 4.39Å; H645-Y657 AromaticContact CD2-CE2 3.6Å; H645-Y657 AromaticContact CD2-CZ 3.91Å; H645-Y657 AromaticContact CG-CE2 3.95Å; H645-Y657 AromaticContact CG-CZ 3.84Å; H645-Y657 PolarHBondContact N-O 2.89Å; H645-Y657 PolarHBondContact O-N 2.73Å |
| 646 | A | 87.5 | Confident | 87.6 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 141.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.5 | M654 Q655 L656 I928 Q930 | A646-M654 HydrophobicContact CB-CG 4.38Å; A646-Q655 CarbonylContact C-O 3.54Å; A646-Q655 VanDerWaalsContact CA-O 3.25Å; A646-Q655 WeakPolarHBondContact CA-O 3.42Å; A646-L656 HydrophobicContact CB-CD2 3.84Å; A646-L656 HydrophobicContact CB-CG 3.8Å; A646-I928 HydrophobicContact CB-CD1 4.26Å; A646-I928 HydrophobicContact CB-CG2 3.82Å; A646-Q930 HydrophobicContact CB-CB 4.16Å; A646-Q930 HydrophobicContact CB-CG 4.48Å |
| 647 | F | 88.6 | Confident | 87.9 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 37% | 0.368 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 144.2 | 176 | 61.5 | -84.2 | 0 | 0 | 0 | 112.2 | L649 M654 Q655 Y657 | F647-L649 HydrophobicContact CD2-CD2 4.12Å; F647-L649 HydrophobicContact CE2-CD2 3.61Å; F647-M654 CarbonylContact O-C 3.54Å; F647-M654 WeakPolarHBondContact O-CA 3.5Å; F647-M654 VanDerWaalsContact O-SD 3.39Å; F647-Q655 HydrophobicContact CD1-CB 4.08Å; F647-Q655 HydrophobicContact CD1-CG 4.45Å; F647-Q655 HydrophobicContact CD2-CB 4.25Å; F647-Q655 HydrophobicContact CE1-CB 3.64Å; F647-Q655 HydrophobicContact CE1-CG 3.6Å; F647-Q655 HydrophobicContact CE2-CB 3.84Å; F647-Q655 HydrophobicContact CE2-CG 4.32Å; F647-Q655 HydrophobicContact CG-CB 4.38Å; F647-Q655 HydrophobicContact CZ-CB 3.53Å; F647-Q655 HydrophobicContact CZ-CG 3.54Å; F647-Q655 PolarHBondContact N-O 2.81Å; F647-Q655 PolarHBondContact O-N 2.83Å; F647-Y657 HydrophobicContact CD1-CD1 4.33Å; F647-Y657 AromaticContact CD1-CE1 3.86Å; F647-Y657 HydrophobicContact CD1-CE1 3.86Å; F647-Y657 AromaticContact CE1-CD1 3.94Å; F647-Y657 HydrophobicContact CE1-CD1 3.94Å; F647-Y657 AromaticContact CE1-CE1 3.7Å; F647-Y657 HydrophobicContact CE1-CE1 3.7Å |
| 648 | S | 86.5 | Confident | 88.2 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133.9 | 174.8 | -168.2 | 0 | 0 | 0 | 0 | 109.6 | N650 M654 D933 | S648-N650 PolarHBondContact OG-O 3.15Å; S648-M654 PolarHBondContact N-SD 2.78Å; S648-D933 WeakPolarHBondContact CB-OD2 3.41Å; S648-D933 VanDerWaalsContact OG-CG 3.27Å; S648-D933 PolarHBondContact OG-N 2.74Å; S648-D933 PolarHBondContact OG-OD2 3.05Å |
| 649 | L | 85.9 | Confident | 88.1 | Confident | 87 Ų | 87 | 43 Ų | 43 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -30.1 | 169.4 | -68.9 | 175 | 0 | 0 | 0 | 111.3 | F647 K653 Q655 | F647-L649 HydrophobicContact CD2-CD2 4.12Å; F647-L649 HydrophobicContact CE2-CD2 3.61Å; L649-K653 HydrophobicContact CB-CB 3.91Å; L649-K653 HydrophobicContact CD1-CB 4.26Å; L649-K653 PolarHBondContact N-O 2.92Å; L649-Q655 HydrophobicContact CD1-CB 4.12Å; L649-Q655 HydrophobicContact CD2-CB 4.27Å; L649-Q655 HydrophobicContact CG-CB 4.12Å |
| 650 | N | 88.5 | Confident | 88.1 | Confident | 60 Ų | 60 | 43.5 Ų | 43.5 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -169.4 | 174.2 | 64.8 | 16.3 | 0 | 0 | 0 | 109.2 | S648 N652 K653 D933 | S648-N650 PolarHBondContact OG-O 3.15Å; N650-N652 PolarHBondContact ND2-OD1 2.88Å; N650-N652 PolarHBondContact O-N 3Å; N650-N652 PolarHBondContact OD1-N 3.46Å; N650-N652 PolarHBondContact OD1-OD1 2.85Å; N650-K653 WeakPolarHBondContact OD1-CB 3.29Å; N650-K653 PolarHBondContact OD1-N 3.16Å; N650-D933 VanDerWaalsContact C-OD2 3.31Å; N650-D933 VanDerWaalsContact CA-OD2 3.24Å; N650-D933 WeakPolarHBondContact CA-OD2 3.37Å; N650-D933 PolarHBondContact N-OD2 3.4Å |
| 651 | S | 88.9 | Confident | 88 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -1.4 | 179.2 | 62.6 | 0 | 0 | 0 | 0 | 116.5 | H877 H878 D933 | S651-H877 CarbonylContact O-C 3.5Å; S651-H878 WeakPolarHBondContact O-CA 3.23Å; S651-H878 PolarHBondContact O-N 2.94Å; S651-D933 WeakPolarHBondContact CA-O 3.4Å; S651-D933 WeakPolarHBondContact CB-O 2.92Å |
| 652 | N | 90.9 | Very high | 87.8 | Confident | 73 Ų | 73 | 48 Ų | 48 | 39% | 0.39 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.9 | 9.2 | 176.2 | 71.9 | -0.1 | 0 | 0 | 0 | 116.7 | N650 G875 L876 | N650-N652 PolarHBondContact ND2-OD1 2.88Å; N650-N652 PolarHBondContact O-N 3Å; N650-N652 PolarHBondContact OD1-N 3.46Å; N650-N652 PolarHBondContact OD1-OD1 2.85Å; N652-G875 PolarHBondContact O-N 2.98Å; N652-L876 WeakPolarHBondContact CA-O 3.29Å; N652-L876 VanDerWaalsContact CB-O 3.28Å; N652-L876 WeakPolarHBondContact CB-O 3.03Å; N652-L876 PolarHBondContact O-N 3.4Å |
| 653 | K | 90.5 | Very high | 87.7 | Confident | 66 Ų | 66 | 50.2 Ų | 50.2 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.9 | -178.2 | -71.4 | 176.4 | 161.4 | -87 | 0 | 112.7 | L649 N650 I873 D874 | L649-K653 HydrophobicContact CB-CB 3.91Å; L649-K653 HydrophobicContact CD1-CB 4.26Å; L649-K653 PolarHBondContact N-O 2.92Å; N650-K653 WeakPolarHBondContact OD1-CB 3.29Å; N650-K653 PolarHBondContact OD1-N 3.16Å; K653-I873 WeakPolarHBondContact CA-O 3.08Å; K653-D874 WeakPolarHBondContact CE-OD2 3.44Å; K653-D874 WeakPolarHBondContact CG-OD1 3.26Å; K653-D874 IonicContact NZ-OD1 3.49Å; K653-D874 PolarHBondContact NZ-OD1 2.67Å; K653-D874 IonicContact NZ-OD2 2.63Å; K653-D874 PolarHBondContact NZ-OD2 3.49Å |
| 654 | M | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.6 | 179 | -164.8 | 85.9 | 68.6 | 0 | 0 | 110.8 | A646 F647 S648 L656 I873 L876 F884 Q930 T932 | A646-M654 HydrophobicContact CB-CG 4.38Å; F647-M654 CarbonylContact O-C 3.54Å; F647-M654 WeakPolarHBondContact O-CA 3.5Å; F647-M654 VanDerWaalsContact O-SD 3.39Å; S648-M654 PolarHBondContact N-SD 2.78Å; M654-L656 HydrophobicContact CG-CD1 4.22Å; M654-I873 PolarHBondContact N-O 3.22Å; M654-I873 PolarHBondContact O-N 3.13Å; M654-L876 HydrophobicContact CB-CD1 3.56Å; M654-L876 HydrophobicContact CE-CD1 4.03Å; M654-F884 HydrophobicContact CB-CZ 4.32Å; M654-F884 HydrophobicContact CE-CE2 3.87Å; M654-F884 HydrophobicContact CE-CZ 3.89Å; M654-F884 HydrophobicContact CG-CE2 4.25Å; M654-F884 HydrophobicContact CG-CZ 3.91Å; M654-Q930 HydrophobicContact CE-CB 4.06Å; M654-Q930 HydrophobicContact CE-CG 3.81Å; M654-Q930 HydrophobicContact SD-CB 3.98Å; M654-Q930 HydrophobicContact SD-CG 3.33Å; M654-Q930 WeakPolarHBondContact SD-CG 3.17Å; M654-T932 HydrophobicContact CE-CG2 3.94Å |
| 655 | Q | 90.8 | Very high | 87.5 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.5 | 171.5 | -174.5 | 65.5 | 21.1 | 0 | 0 | 110.1 | A646 F647 L649 S872 | A646-Q655 CarbonylContact C-O 3.54Å; A646-Q655 VanDerWaalsContact CA-O 3.25Å; A646-Q655 WeakPolarHBondContact CA-O 3.42Å; F647-Q655 HydrophobicContact CD1-CB 4.08Å; F647-Q655 HydrophobicContact CD1-CG 4.45Å; F647-Q655 HydrophobicContact CD2-CB 4.25Å; F647-Q655 HydrophobicContact CE1-CB 3.64Å; F647-Q655 HydrophobicContact CE1-CG 3.6Å; F647-Q655 HydrophobicContact CE2-CB 3.84Å; F647-Q655 HydrophobicContact CE2-CG 4.32Å; F647-Q655 HydrophobicContact CG-CB 4.38Å; F647-Q655 HydrophobicContact CZ-CB 3.53Å; F647-Q655 HydrophobicContact CZ-CG 3.54Å; F647-Q655 PolarHBondContact N-O 2.81Å; F647-Q655 PolarHBondContact O-N 2.83Å; L649-Q655 HydrophobicContact CD1-CB 4.12Å; L649-Q655 HydrophobicContact CD2-CB 4.27Å; L649-Q655 HydrophobicContact CG-CB 4.12Å; Q655-S872 VanDerWaalsContact OE1-CB 3.26Å |
| 656 | L | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 149.2 | 177.4 | -60.9 | 96.5 | 0 | 0 | 0 | 111.9 | F644 H645 A646 M654 W658 L673 G870 V871 I873 F884 | F644-L656 HydrophobicContact CE2-CB 4.4Å; F644-L656 HydrophobicContact CE2-CD2 3.8Å; F644-L656 HydrophobicContact CZ-CD2 3.83Å; H645-L656 VanDerWaalsContact O-CA 3.29Å; H645-L656 WeakPolarHBondContact O-CA 3.22Å; A646-L656 HydrophobicContact CB-CD2 3.84Å; A646-L656 HydrophobicContact CB-CG 3.8Å; M654-L656 HydrophobicContact CG-CD1 4.22Å; L656-W658 HydrophobicContact CB-CZ3 4.48Å; L656-L673 HydrophobicContact CD2-CD1 4.37Å; L656-L673 HydrophobicContact CD2-CD2 4.48Å; L656-G870 CarbonylContact O-C 3.56Å; L656-G870 WeakPolarHBondContact O-CA 3.48Å; L656-V871 HydrophobicContact CB-CG1 4.34Å; L656-V871 PolarHBondContact N-O 3.48Å; L656-V871 PolarHBondContact O-N 2.96Å; L656-I873 HydrophobicContact CD1-CB 4.41Å; L656-I873 HydrophobicContact CD1-CD1 3.74Å; L656-I873 HydrophobicContact CD1-CG1 3.94Å; L656-F884 HydrophobicContact CD1-CD1 4.29Å; L656-F884 HydrophobicContact CD1-CE1 4.25Å; L656-F884 HydrophobicContact CD2-CB 3.82Å; L656-F884 HydrophobicContact CD2-CD1 3.61Å; L656-F884 HydrophobicContact CD2-CD2 4.38Å; L656-F884 HydrophobicContact CD2-CE1 4.3Å; L656-F884 HydrophobicContact CD2-CG 3.68Å |
| 657 | Y | 90.2 | Very high | 87.4 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 155.8 | 175.5 | 61.6 | -86.1 | 0 | 0 | 0 | 112.8 | F644 H645 F647 I868 I869 | F644-Y657 WeakPolarHBondContact CA-O 3.18Å; H645-Y657 HydrophobicContact CB-CD1 4.13Å; H645-Y657 HydrophobicContact CB-CD2 4.18Å; H645-Y657 HydrophobicContact CB-CE1 3.61Å; H645-Y657 HydrophobicContact CB-CE2 3.67Å; H645-Y657 HydrophobicContact CB-CG 4.39Å; H645-Y657 AromaticContact CD2-CE2 3.6Å; H645-Y657 AromaticContact CD2-CZ 3.91Å; H645-Y657 AromaticContact CG-CE2 3.95Å; H645-Y657 AromaticContact CG-CZ 3.84Å; H645-Y657 PolarHBondContact N-O 2.89Å; H645-Y657 PolarHBondContact O-N 2.73Å; F647-Y657 HydrophobicContact CD1-CD1 4.33Å; F647-Y657 AromaticContact CD1-CE1 3.86Å; F647-Y657 HydrophobicContact CD1-CE1 3.86Å; F647-Y657 AromaticContact CE1-CD1 3.94Å; F647-Y657 HydrophobicContact CE1-CD1 3.94Å; F647-Y657 AromaticContact CE1-CE1 3.7Å; F647-Y657 HydrophobicContact CE1-CE1 3.7Å; Y657-I868 HydrophobicContact CD2-CG2 4.23Å; Y657-I869 CarbonylContact C-O 3.59Å; Y657-I869 WeakPolarHBondContact CA-O 3.06Å |
| 658 | W | 90.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 163.8 | 178.8 | 58.2 | 95.6 | 0 | 0 | 0 | 111.9 | P641 F644 L656 Y671 I851 I869 V871 I886 | P641-W658 HydrophobicContact CB-CB 4.27Å; P641-W658 HydrophobicContact CB-CG 4.27Å; F644-W658 HydrophobicContact CB-CB 4.21Å; F644-W658 HydrophobicContact CD2-CB 4.11Å; F644-W658 HydrophobicContact CD2-CE3 4.11Å; F644-W658 HydrophobicContact CE2-CE3 4.14Å; L656-W658 HydrophobicContact CB-CZ3 4.48Å; W658-Y671 AromaticContact CD1-CE1 3.83Å; W658-Y671 HydrophobicContact CZ2-CG 4.46Å; W658-Y671 AromaticContact NE1-CD1 3.43Å; W658-Y671 AromaticContact NE1-CE1 3.46Å; W658-Y671 AromaticContact NE1-CG 3.79Å; W658-Y671 AromaticContact NE1-CZ 3.85Å; W658-I851 HydrophobicContact CH2-CD1 3.62Å; W658-I851 HydrophobicContact CZ2-CD1 4.1Å; W658-I851 HydrophobicContact CZ2-CG2 4.5Å; W658-I869 HydrophobicContact CD2-CB 4.46Å; W658-I869 HydrophobicContact CH2-CG2 4.14Å; W658-I869 HydrophobicContact CZ2-CB 3.95Å; W658-I869 HydrophobicContact CZ2-CG2 3.43Å; W658-I869 VanDerWaalsContact CZ2-CG2 3.43Å; W658-I869 PolarHBondContact N-O 3.5Å; W658-I869 PolarHBondContact O-N 3.28Å; W658-V871 HydrophobicContact CH2-CG1 4.14Å; W658-V871 HydrophobicContact CZ3-CG1 4.09Å; W658-I886 HydrophobicContact CD2-CD1 3.37Å; W658-I886 HydrophobicContact CE3-CD1 3.66Å; W658-I886 HydrophobicContact CG-CD1 3.95Å; W658-I886 HydrophobicContact CH2-CD1 3.95Å; W658-I886 HydrophobicContact CZ2-CD1 3.62Å; W658-I886 HydrophobicContact CZ3-CD1 3.95Å |
| 659 | N | 86.3 | Confident | 87.3 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 159.4 | 169.6 | -82.4 | -39.2 | 0 | 0 | 0 | 110.9 | I642 D643 N867 | I642-N659 HydrophobicContact CD1-CB 4.15Å; I642-N659 HydrophobicContact CG1-CB 3.47Å; I642-N659 VanDerWaalsContact CG1-CB 3.47Å; I642-N659 PolarHBondContact N-O 3.49Å; I642-N659 PolarHBondContact O-N 3.2Å; D643-N659 HydrophobicContact CB-CB 4.47Å; D643-N659 PolarHBondContact OD2-ND2 3.39Å; N659-N867 PolarHBondContact OD1-O 2.93Å |
| 660 | A | 84.7 | Confident | 87.5 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 154.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 661 | P | 85.2 | Confident | 87.6 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 137.4 | -178.1 | -19.2 | 32.1 | 0 | 0 | 0 | 114.3 | S639 S640 N663 I668 A888 | S639-P661 VanDerWaalsContact O-CB 3.25Å; S639-P661 WeakPolarHBondContact O-CB 3.44Å; S639-P661 WeakPolarHBondContact O-CG 3.48Å; S639-P661 VanDerWaalsContact OG-CB 3.22Å; S639-P661 WeakPolarHBondContact OG-CB 3.15Å; S640-P661 WeakPolarHBondContact O-CB 3.27Å; P661-N663 VanDerWaalsContact C-N 3.27Å; P661-N663 PolarHBondContact O-N 3.15Å; P661-I668 HydrophobicContact CG-CD1 4.38Å; P661-A888 HydrophobicContact CG-CB 3.74Å |
| 662 | D | 81.8 | Confident | 87.5 | Confident | 118 Ų | 118 | 45.6 Ų | 45.6 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -53.9 | -39.5 | 177.2 | -71.2 | -41.4 | 0 | 0 | 0 | 113.8 | I642 P664 | I642-D662 WeakPolarHBondContact CD1-OD1 3.3Å; D662-P664 WeakPolarHBondContact O-CD 3.46Å |
| 663 | N | 83 | Confident | 87.5 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | trans | -117.8 | 85.3 | 180 | -71.9 | -106.7 | 0 | 0 | 0 | 108.1 | S639 P661 N665 | S639-N663 PolarHBondContact N-O 3.25Å; S639-N663 PolarHBondContact OG-N 2.94Å; S639-N663 PolarHBondContact OG-O 3.31Å; P661-N663 VanDerWaalsContact C-N 3.27Å; P661-N663 PolarHBondContact O-N 3.15Å; N663-N665 VanDerWaalsContact C-N 3.28Å; N663-N665 PolarHBondContact O-N 3.03Å | ||
| 664 | P | 84 | Confident | 87.3 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | trans | -71.6 | -22.1 | -175.6 | 28.7 | -35.2 | 0 | 0 | 0 | 112.5 | D662 G666 I668 H890 | D662-P664 WeakPolarHBondContact O-CD 3.46Å; P664-G666 PolarHBondContact O-N 3.22Å; P664-I668 HydrophobicContact CB-CD1 4.16Å; P664-I668 HydrophobicContact CB-CG1 4.18Å; P664-H890 PolarHBondContact O-CE1 3.01Å; P664-H890 PolarHBondContact O-NE2 2.73Å | ||
| 665 | N | 86.4 | Confident | 87.3 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | trans | 54.3 | 13.5 | 173.2 | -63.7 | -22 | 0 | 0 | 0 | 116.5 | P605 Q635 D636 K637 N663 | P605-N665 HydrophobicContact CB-CB 4.05Å; P605-N665 HydrophobicContact CG-CB 4.27Å; Q635-N665 WeakPolarHBondContact CA-O 3.42Å; D636-N665 HydrophobicContact CB-CB 4.21Å; D636-N665 PolarHBondContact N-O 3.07Å; D636-N665 VanDerWaalsContact N-O 3.13Å; D636-N665 WeakPolarHBondContact O-CB 3.23Å; K637-N665 PolarHBondContact O-ND2 3.41Å; N663-N665 VanDerWaalsContact C-N 3.28Å; N663-N665 PolarHBondContact O-N 3.03Å | ||
| 666 | G | 85.5 | Confident | 87.1 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 155.9 | 179.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P664 H890 | P664-G666 PolarHBondContact O-N 3.22Å; G666-H890 WeakPolarHBondContact CA-NE2 3.04Å |
| 667 | Q | 86.8 | Confident | 86.8 | Confident | 142 Ų | 142 | 46.9 Ų | 46.9 | 66% | 0.664 | 24% | 0.238 | S | C | * | . | trans | -83.9 | 116.9 | 178.9 | -176.1 | 177.2 | 0.7 | 0 | 0 | 110.4 | V669 H890 | Q667-V669 PolarHBondContact O-N 2.8Å; Q667-H890 PolarHBondContact O-CD2 2.96Å | ||
| 668 | I | 86.4 | Confident | 86.1 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | trans | -67.1 | 130.4 | 173 | -46 | -65 | 0 | 0 | 0 | 109.1 | P638 P661 P664 Y671 A853 A888 | P638-I668 HydrophobicContact CB-CD1 3.69Å; P638-I668 HydrophobicContact CG-CD1 4.25Å; P661-I668 HydrophobicContact CG-CD1 4.38Å; P664-I668 HydrophobicContact CB-CD1 4.16Å; P664-I668 HydrophobicContact CB-CG1 4.18Å; I668-Y671 HydrophobicContact CG2-CE2 4.03Å; I668-A853 HydrophobicContact CB-CB 4.35Å; I668-A853 HydrophobicContact CG2-CB 4.11Å; I668-A853 WeakPolarHBondContact O-CB 3.22Å; I668-A888 HydrophobicContact CD1-CB 4.2Å; I668-A888 HydrophobicContact CG2-CB 4.02Å | ||
| 669 | V | 87.3 | Confident | 85 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | trans | -110.6 | -44.1 | -176.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | Q667 A853 C889 | Q667-V669 PolarHBondContact O-N 2.8Å; V669-A853 WeakPolarHBondContact O-CB 3.3Å; V669-A853 PolarHBondContact O-N 3.45Å; V669-C889 PolarHBondContact N-O 2.93Å | ||
| 670 | E | 89.2 | Confident | 83.7 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161.7 | 179.2 | 62.2 | 174.3 | -180 | 0 | 0 | 112.4 | H672 R850 I851 C889 | E670-H672 WeakPolarHBondContact CG-NE2 3.5Å; E670-H672 IonicContact OE1-CD2 2.68Å; E670-H672 IonicContact OE1-CE1 3.21Å; E670-H672 CovalentContact OE1-NE2 1.75Å; E670-H672 IonicContact OE1-NE2 3.54Å; E670-H672 PolarHBondContact OE1-NE2 3.29Å; E670-H672 IonicContact OE2-NE2 3.73Å; E670-H672 PolarHBondContact OE2-NE2 2.93Å; E670-R850 WeakPolarHBondContact OE2-CD 3.41Å; E670-I851 CarbonylContact C-O 3.57Å; E670-I851 VanDerWaalsContact CA-O 3.24Å; E670-I851 WeakPolarHBondContact CA-O 3.49Å; E670-C889 HydrophobicContact CG-CB 4.1Å; E670-C889 PolarHBondContact N-O 2.81Å; E670-C889 PolarHBondContact O-N 3.09Å |
| 671 | Y | 89.9 | Confident | 82.1 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 137.9 | 168.9 | -62.5 | -99.5 | 0 | 0 | 0 | 108.9 | P641 W658 I668 R850 I851 A853 I869 I886 S887 A888 | P641-Y671 HydrophobicContact CB-CE1 4.39Å; P641-Y671 HydrophobicContact CG-CD1 3.96Å; P641-Y671 HydrophobicContact CG-CE1 3.94Å; W658-Y671 AromaticContact CD1-CE1 3.83Å; W658-Y671 HydrophobicContact CZ2-CG 4.46Å; W658-Y671 AromaticContact NE1-CD1 3.43Å; W658-Y671 AromaticContact NE1-CE1 3.46Å; W658-Y671 AromaticContact NE1-CG 3.79Å; W658-Y671 AromaticContact NE1-CZ 3.85Å; I668-Y671 HydrophobicContact CG2-CE2 4.03Å; Y671-R850 CarbonylContact O-C 3.52Å; Y671-R850 WeakPolarHBondContact O-CA 3.46Å; Y671-I851 PolarHBondContact N-O 3.41Å; Y671-I851 PolarHBondContact O-N 3.12Å; Y671-A853 HydrophobicContact CE2-CB 4.07Å; Y671-I869 HydrophobicContact CD2-CD1 4.26Å; Y671-I869 HydrophobicContact CE2-CD1 3.43Å; Y671-I869 VanDerWaalsContact CE2-CD1 3.43Å; Y671-I886 HydrophobicContact CD1-CD1 4.26Å; Y671-S887 CarbonylContact C-O 3.58Å; Y671-S887 VanDerWaalsContact CA-O 3.26Å; Y671-S887 WeakPolarHBondContact CA-O 3.43Å; Y671-A888 HydrophobicContact CD1-CB 3.74Å; Y671-A888 HydrophobicContact CE1-CB 3.6Å |
| 672 | H | 88.4 | Confident | 80.5 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.2 | 173.5 | -74.4 | -130.4 | 0 | 0 | 0 | 109.4 | E670 W674 H848 L849 R850 I886 S887 | E670-H672 WeakPolarHBondContact CG-NE2 3.5Å; E670-H672 IonicContact OE1-CD2 2.68Å; E670-H672 IonicContact OE1-CE1 3.21Å; E670-H672 CovalentContact OE1-NE2 1.75Å; E670-H672 IonicContact OE1-NE2 3.54Å; E670-H672 PolarHBondContact OE1-NE2 3.29Å; E670-H672 IonicContact OE2-NE2 3.73Å; E670-H672 PolarHBondContact OE2-NE2 2.93Å; H672-W674 HydrophobicContact CB-CE3 4.29Å; H672-W674 HydrophobicContact CB-CH2 3.23Å; H672-W674 HydrophobicContact CB-CZ2 3.68Å; H672-W674 HydrophobicContact CB-CZ3 3.57Å; H672-W674 AromaticContact CG-CH2 3.91Å; H672-W674 AromaticContact ND1-CH2 3.94Å; H672-W674 AromaticContact ND1-CZ2 3.7Å; H672-H848 AromaticContact CG-NE2 3.6Å; H672-H848 AromaticContact ND1-CE1 3.35Å; H672-H848 PolarHBondContact ND1-CE1 3.26Å; H672-H848 AromaticContact ND1-NE2 2.99Å; H672-H848 PolarHBondContact ND1-NE2 2.78Å; H672-L849 WeakPolarHBondContact CA-O 3.34Å; H672-R850 VanDerWaalsContact CE1-CD 3.48Å; H672-R850 WeakPolarHBondContact CE1-CD 3.33Å; H672-R850 PolarHBondContact CE1-NE 3.1Å; H672-I886 CarbonylContact O-C 3.59Å; H672-I886 VanDerWaalsContact O-CA 3.28Å; H672-I886 WeakPolarHBondContact O-CA 2.95Å; H672-I886 WeakPolarHBondContact O-CG1 3.05Å; H672-S887 PolarHBondContact N-O 3.1Å; H672-S887 PolarHBondContact O-N 2.98Å |
| 673 | L | 89.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.8 | -179.9 | 172.9 | 62.8 | 0 | 0 | 0 | 110.2 | F644 L656 H848 L849 I851 V871 I873 F884 V885 I886 | F644-L673 HydrophobicContact CE2-CD1 4.43Å; F644-L673 HydrophobicContact CZ-CD1 3.9Å; L656-L673 HydrophobicContact CD2-CD1 4.37Å; L656-L673 HydrophobicContact CD2-CD2 4.48Å; L673-H848 CarbonylContact O-C 3.57Å; L673-H848 WeakPolarHBondContact O-CA 3.47Å; L673-L849 HydrophobicContact CB-CB 4.45Å; L673-L849 HydrophobicContact CD2-CD1 4.39Å; L673-L849 PolarHBondContact N-O 2.84Å; L673-L849 PolarHBondContact O-N 3.34Å; L673-I851 HydrophobicContact CD2-CD1 4.49Å; L673-V871 HydrophobicContact CD2-CG1 3.56Å; L673-I873 HydrophobicContact CD2-CD1 4.01Å; L673-F884 HydrophobicContact CD1-CB 4.34Å; L673-V885 CarbonylContact C-O 3.53Å; L673-V885 WeakPolarHBondContact CA-O 3.16Å; L673-I886 HydrophobicContact CB-CG1 4.46Å; L673-I886 HydrophobicContact CD1-CB 4.15Å |
| 674 | W | 88.1 | Confident | 76.6 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 147.9 | 174.9 | -60.7 | -89 | 0 | 0 | 0 | 111 | H672 W845 G847 H848 F884 V885 I916 | H672-W674 HydrophobicContact CB-CE3 4.29Å; H672-W674 HydrophobicContact CB-CH2 3.23Å; H672-W674 HydrophobicContact CB-CZ2 3.68Å; H672-W674 HydrophobicContact CB-CZ3 3.57Å; H672-W674 AromaticContact CG-CH2 3.91Å; H672-W674 AromaticContact ND1-CH2 3.94Å; H672-W674 AromaticContact ND1-CZ2 3.7Å; W674-W845 HydrophobicContact CB-CD2 3.89Å; W674-W845 HydrophobicContact CB-CE3 3.76Å; W674-W845 HydrophobicContact CB-CG 4.41Å; W674-W845 HydrophobicContact CB-CZ3 4.12Å; W674-G847 WeakPolarHBondContact CA-O 3.32Å; W674-H848 AromaticContact CD1-CD2 3.58Å; W674-H848 AromaticContact CD1-CG 3.51Å; W674-H848 AromaticContact CE2-CD2 3.54Å; W674-H848 AromaticContact CE2-CE1 3.89Å; W674-H848 AromaticContact CE2-NE2 3.47Å; W674-H848 AromaticContact CZ2-CE1 3.91Å; W674-H848 AromaticContact CZ2-NE2 3.53Å; W674-H848 AromaticContact NE1-CD2 3.2Å; W674-H848 PolarHBondContact NE1-CD2 2.67Å; W674-H848 AromaticContact NE1-CE1 3.53Å; W674-H848 AromaticContact NE1-CG 3.22Å; W674-H848 AromaticContact NE1-ND1 3.42Å; W674-H848 PolarHBondContact NE1-ND1 2.89Å; W674-H848 AromaticContact NE1-NE2 3.42Å; W674-H848 PolarHBondContact NE1-NE2 2.85Å; W674-F884 CarbonylContact O-C 3.5Å; W674-F884 WeakPolarHBondContact O-CA 3.47Å; W674-V885 HydrophobicContact CB-CB 4.47Å; W674-V885 HydrophobicContact CE3-CG1 4.14Å; W674-V885 PolarHBondContact N-O 3.44Å; W674-V885 PolarHBondContact O-N 3.46Å; W674-I916 HydrophobicContact CH2-CG2 3.53Å; W674-I916 HydrophobicContact CZ2-CD1 4.4Å; W674-I916 HydrophobicContact CZ2-CG2 3.41Å; W674-I916 VanDerWaalsContact CZ2-CG2 3.41Å; W674-I916 HydrophobicContact CZ3-CG2 4.28Å |
| 675 | Y | 89.1 | Confident | 74.6 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 18% | 0.18 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 147.4 | 175 | 65.7 | -87.1 | 0 | 0 | 0 | 113.6 | D846 G847 I873 L876 Y882 L883 F884 | Y675-D846 HydrophobicContact CD2-CB 4.23Å; Y675-D846 HydrophobicContact CE2-CB 4.15Å; Y675-D846 PolarHBondContact O-N 3.4Å; Y675-G847 PolarHBondContact N-O 3.44Å; Y675-G847 PolarHBondContact O-N 2.84Å; Y675-G847 VanDerWaalsContact O-N 3.14Å; Y675-I873 HydrophobicContact CD1-CD1 3.79Å; Y675-I873 HydrophobicContact CE1-CD1 4.08Å; Y675-I873 HydrophobicContact CE1-CG2 4.17Å; Y675-I873 HydrophobicContact CE2-CG2 4.2Å; Y675-I873 HydrophobicContact CG-CD1 4.33Å; Y675-L876 HydrophobicContact CD2-CD2 4.39Å; Y675-L876 HydrophobicContact CE2-CD2 4.23Å; Y675-Y882 HydrophobicContact CD2-CD1 4.4Å; Y675-L883 VanDerWaalsContact CA-O 3.29Å; Y675-L883 WeakPolarHBondContact CA-O 3.4Å; Y675-F884 VanDerWaalsContact CB-CD1 3.42Å; Y675-F884 HydrophobicContact CG-CD1 4.33Å; Y675-F884 HydrophobicContact CG-CE1 4.17Å |
| 676 | R | 86.2 | Confident | 72.5 | Confident | 53 Ų | 53 | 63 Ų | 63 | 20% | 0.2 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.5 | 174.8 | 73.7 | -176.9 | -169.8 | -172.2 | -1 | 112.2 | L843 W845 D846 Y882 L883 | R676-L843 VanDerWaalsContact NH1-CB 3.33Å; R676-L843 PolarHBondContact NH1-O 3.03Å; R676-L843 VanDerWaalsContact NH1-O 3.13Å; R676-W845 HydrophobicContact CB-CE3 3.73Å; R676-W845 HydrophobicContact CB-CZ3 4.15Å; R676-W845 HydrophobicContact CG-CE3 3.77Å; R676-W845 HydrophobicContact CG-CH2 4.5Å; R676-W845 HydrophobicContact CG-CZ3 3.71Å; R676-D846 WeakPolarHBondContact CA-OD2 3.35Å; R676-Y882 VanDerWaalsContact C-CD1 3.46Å; R676-Y882 CarbonylContact O-C 3.56Å; R676-Y882 WeakPolarHBondContact O-CA 3.43Å; R676-L883 HydrophobicContact CG-CB 4.2Å; R676-L883 HydrophobicContact CG-CD2 4.45Å; R676-L883 PolarHBondContact N-O 3.18Å; R676-L883 PolarHBondContact O-N 2.98Å |
| 677 | R | 84.9 | Confident | 70.3 | Confident | 96 Ų | 96 | 68.4 Ų | 68.4 | 36% | 0.362 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 148.1 | 168.2 | 64.6 | -163 | 169.6 | 160 | 3.4 | 111.9 | F679 D846 T880 E881 Y882 | R677-F679 HydrophobicContact CG-CZ 4.3Å; R677-D846 VanDerWaalsContact CG-OD2 3.32Å; R677-D846 WeakPolarHBondContact CG-OD2 3.49Å; R677-D846 PolarHBondContact N-OD2 2.9Å; R677-D846 IonicContact NE-OD1 3.88Å; R677-T880 HydrophobicContact CB-CG2 3.93Å; R677-E881 CarbonylContact C-O 3.51Å; R677-E881 WeakPolarHBondContact CA-O 3.04Å; R677-Y882 HydrophobicContact CB-CD1 4.17Å; R677-Y882 HydrophobicContact CB-CE1 3.79Å |
| 678 | L | 75.8 | Confident | 68.3 | Low | 39 Ų | 39 | 62.9 Ų | 62.9 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.1 | 172.3 | -61.8 | 177.9 | 0 | 0 | 0 | 108.7 | E881 L883 Q929 | L678-E881 HydrophobicContact CB-CB 4.46Å; L678-E881 HydrophobicContact CD1-CG 4.39Å; L678-E881 PolarHBondContact N-O 3.05Å; L678-L883 HydrophobicContact CD1-CB 4.13Å; L678-L883 HydrophobicContact CD2-CB 3.94Å; L678-L883 HydrophobicContact CD2-CD2 4.45Å; L678-L883 HydrophobicContact CG-CB 4.06Å; L678-Q929 HydrophobicContact CD1-CG 4.06Å |
| 679 | F | 67.6 | Low | 66.7 | Low | 129 Ų | 129 | 63.2 Ų | 63.2 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | trans | -81.5 | 137.9 | 175.1 | -61.1 | -78 | 0 | 0 | 0 | 110 | R677 N681 L843 | R677-F679 HydrophobicContact CG-CZ 4.3Å; F679-N681 PolarHBondContact O-N 3.33Å; F679-L843 HydrophobicContact CD2-CD2 4.36Å; F679-L843 HydrophobicContact CE2-CD2 4.23Å | ||
| 680 | V | 58.1 | Low | 65 | Low | 80 Ų | 80 | 62 Ų | 62 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | trans | -74.3 | 100.8 | -179 | -177 | 0 | 0 | 0 | 0 | 109.8 | I682 L1102 | V680-I682 PolarHBondContact O-N 2.66Å; V680-I682 VanDerWaalsContact O-N 3.15Å; V680-L1102 HydrophobicContact CB-CD1 4.28Å; V680-L1102 HydrophobicContact CG1-CD1 3.99Å; V680-L1102 HydrophobicContact CG2-CD1 3.91Å | ||
| 681 | N | 52 | Low | 63.7 | Low | 120 Ų | 120 | 62 Ų | 62 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | trans | -72.3 | 101.3 | 171.4 | -79.3 | -16.1 | 0 | 0 | 0 | 110 | F679 P683 | F679-N681 PolarHBondContact O-N 3.33Å; N681-P683 WeakPolarHBondContact O-CD 3.26Å | ||
| 682 | I | 51 | Low | 61.9 | Low | 60 Ų | 60 | 64.6 Ų | 64.6 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | trans | -66.7 | 123.8 | 167.3 | -67.9 | 160.3 | 0 | 0 | 0 | 109.2 | V680 S684 I689 L1022 I1065 | V680-I682 PolarHBondContact O-N 2.66Å; V680-I682 VanDerWaalsContact O-N 3.15Å; I682-S684 PolarHBondContact O-N 3.25Å; I682-I689 HydrophobicContact CG2-CD1 3.68Å; I682-L1022 HydrophobicContact CD1-CD2 3.43Å; I682-L1022 VanDerWaalsContact CD1-CD2 3.43Å; I682-L1022 HydrophobicContact CG1-CD2 4.29Å; I682-I1065 HydrophobicContact CD1-CD1 3.61Å; I682-I1065 HydrophobicContact CD1-CG1 3.88Å; I682-I1065 HydrophobicContact CG1-CD1 4.48Å; I682-I1065 HydrophobicContact CG2-CD1 4.24Å | ||
| 683 | P | 41.5 | Very low | 59.9 | Low | 67 Ų | 67 | 71 Ų | 71 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | trans | -70.2 | 127.5 | 171.5 | -13.3 | 28.7 | 0 | 0 | 0 | 110 | N681 S685 D686 | N681-P683 WeakPolarHBondContact O-CD 3.26Å; P683-S685 PolarHBondContact O-N 3.35Å; P683-D686 HydrophobicContact CB-CB 4.33Å; P683-D686 HydrophobicContact CG-CB 4.43Å; P683-D686 PolarHBondContact O-N 2.61Å | ||
| 684 | S | 41.1 | Very low | 57.6 | Low | 131 Ų | 131 | 75.3 Ų | 75.3 | 92% | 0.916 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 21.2 | 179.6 | 66 | 0 | 0 | 0 | 0 | 114.5 | I682 | I682-S684 PolarHBondContact O-N 3.25Š|
| 685 | S | 41.6 | Very low | 55.2 | Low | 98 Ų | 98 | 86 Ų | 86 | 69% | 0.685 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.7 | 6.5 | -176.7 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | P683 N687 | P683-S685 PolarHBondContact O-N 3.35Å; S685-N687 PolarHBondContact O-N 2.8Å |
| 686 | D | 42 | Very low | 52.5 | Low | 83 Ų | 83 | 85.7 Ų | 85.7 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | trans | -88.7 | 94.8 | -176.5 | -160.9 | -21.3 | 0 | 0 | 0 | 111.6 | P683 G688 I689 | P683-D686 HydrophobicContact CB-CB 4.33Å; P683-D686 HydrophobicContact CG-CB 4.43Å; P683-D686 PolarHBondContact O-N 2.61Å; D686-G688 PolarHBondContact O-N 3.23Å; D686-G688 VanDerWaalsContact O-N 3.08Å; D686-G688 PolarHBondContact OD1-N 3.11Å; D686-I689 HydrophobicContact CB-CD1 4.04Å; D686-I689 HydrophobicContact CB-CG1 4.26Å; D686-I689 PolarHBondContact O-N 2.86Å | ||
| 687 | N | 40.8 | Very low | 49.8 | Very low | 128 Ų | 128 | 87.1 Ų | 87.1 | 68% | 0.684 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -57.3 | -19.9 | 175.5 | -70.5 | -10.6 | 0 | 0 | 0 | 112.9 | S685 I689 S690 | S685-N687 PolarHBondContact O-N 2.8Å; N687-I689 PolarHBondContact O-N 3.24Å; N687-S690 WeakPolarHBondContact O-CB 3.41Å; N687-S690 PolarHBondContact O-N 2.91Å |
| 688 | G | 44.8 | Very low | 47.3 | Very low | 26 Ų | 26 | 89.3 Ų | 89.3 | 27% | 0.268 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -72.3 | -10.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D686 S696 | D686-G688 PolarHBondContact O-N 3.23Å; D686-G688 VanDerWaalsContact O-N 3.08Å; D686-G688 PolarHBondContact OD1-N 3.11Å; G688-S696 WeakPolarHBondContact O-CB 3.33Å; G688-S696 PolarHBondContact O-OG 3.04Å |
| 689 | I | 51.9 | Low | 45.2 | Very low | 31 Ų | 31 | 94.4 Ų | 94.4 | 16% | 0.159 | 54% | 0.544 | C | S | . | . | G | 310 helix | trans | -93.9 | -19.9 | 175.1 | -51.7 | 173.2 | 0 | 0 | 0 | 111.2 | I682 D686 N687 L1024 I1065 | I682-I689 HydrophobicContact CG2-CD1 3.68Å; D686-I689 HydrophobicContact CB-CD1 4.04Å; D686-I689 HydrophobicContact CB-CG1 4.26Å; D686-I689 PolarHBondContact O-N 2.86Å; N687-I689 PolarHBondContact O-N 3.24Å; I689-L1024 HydrophobicContact CG2-CB 4.48Å; I689-L1024 HydrophobicContact CG2-CD2 4.23Å; I689-I1065 HydrophobicContact CG2-CD1 3.53Å |
| 690 | S | 52 | Low | 43.8 | Very low | 34 Ų | 34 | 91.9 Ų | 91.9 | 24% | 0.238 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -68.5 | 163.7 | 179 | 176.4 | 0 | 0 | 0 | 0 | 112.5 | N687 T692 N1063 | N687-S690 WeakPolarHBondContact O-CB 3.41Å; N687-S690 PolarHBondContact O-N 2.91Å; S690-T692 VanDerWaalsContact CB-OG1 3.23Å; S690-T692 WeakPolarHBondContact CB-OG1 3.35Å; S690-T692 PolarHBondContact O-N 3.17Å; S690-T692 PolarHBondContact OG-OG1 3Å; S690-N1063 WeakPolarHBondContact CA-OD1 3.5Å |
| 691 | C | 60.9 | Low | 42.4 | Very low | 52 Ų | 52 | 91.5 Ų | 91.5 | 35% | 0.351 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -68.9 | 20 | 169 | -62.7 | 0 | 0 | 0 | 0 | 114.6 | C1061 L1062 N1063 | C691-C1061 WeakPolarHBondContact CA-SG 3.5Å; C691-C1061 HydrophobicContact CB-CB 3.5Å; C691-C1061 WeakPolarHBondContact CB-SG 3.13Å; C691-C1061 WeakPolarHBondContact SG-CB 3.4Å; C691-C1061 PolarHBondContact SG-O 3.24Å; C691-C1061 CovalentContact SG-SG 2.03Å; C691-C1061 PolarHBondContact SG-SG 3.46Å; C691-L1062 PolarHBondContact SG-N 2.79Å; C691-L1062 VanDerWaalsContact SG-N 3.44Å; C691-N1063 PolarHBondContact N-OD1 3.26Å; C691-N1063 VanDerWaalsContact N-OD1 3.17Å; C691-N1063 PolarHBondContact SG-OD1 3.06Å |
| 692 | T | 52.1 | Low | 41.2 | Very low | 59 Ų | 59 | 90.6 Ų | 90.6 | 36% | 0.362 | 54% | 0.54 | S | S | . | . | trans | -111.5 | 135.2 | -178.9 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | S690 | S690-T692 VanDerWaalsContact CB-OG1 3.23Å; S690-T692 WeakPolarHBondContact CB-OG1 3.35Å; S690-T692 PolarHBondContact O-N 3.17Å; S690-T692 PolarHBondContact OG-OG1 3Å | ||
| 693 | D | 45.9 | Very low | 40 | Very low | 146 Ų | 146 | 91.6 Ų | 91.6 | 78% | 0.781 | 55% | 0.552 | S | S | * | * | trans | 61.7 | 104.3 | -173.8 | -68.1 | -21.7 | 0 | 0 | 0 | 116.8 | R695 | D693-R695 PolarHBondContact O-N 3.15Š| ||
| 694 | G | 41.5 | Very low | 39.3 | Very low | 91 Ų | 91 | 90.7 Ų | 90.7 | 94% | 0.938 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 44 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 695 | R | 37.9 | Very low | 38.6 | Very low | 238 Ų | 238 | 90.8 Ų | 90.8 | 90% | 0.898 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | -3.3 | 175.3 | -79.3 | -174.2 | 168.3 | -173.1 | -4.1 | 114.3 | D693 | D693-R695 PolarHBondContact O-N 3.15Š|
| 696 | S | 32.7 | Very low | 37.8 | Very low | 39 Ų | 39 | 98.1 Ų | 98.1 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | trans | -101.8 | 97.1 | 176.8 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | G688 R1025 | G688-S696 WeakPolarHBondContact O-CB 3.33Å; G688-S696 PolarHBondContact O-OG 3.04Å; S696-R1025 PolarHBondContact O-NH2 3.05Å | ||
| 697 | S | 30.4 | Very low | 36.9 | Very low | 82 Ų | 82 | 96.6 Ų | 96.6 | 57% | 0.573 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -151.6 | 4.7 | 169.7 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 698 | H | 32.4 | Very low | 36.2 | Very low | 143 Ų | 143 | 98.4 Ų | 98.4 | 66% | 0.662 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -127.1 | 8 | -171.4 | -75 | -68.2 | 0 | 0 | 0 | 115.2 | ||
| 699 | L | 31.8 | Very low | 35.3 | Very low | 145 Ų | 145 | 105 Ų | 105 | 76% | 0.759 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -98.6 | 6.5 | -171.9 | -77.3 | 167.6 | 0 | 0 | 0 | 115.5 | ||
| 700 | I | 37 | Very low | 34 | Very low | 77 Ų | 77 | 110.9 Ų | 110.9 | 40% | 0.395 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -121.5 | -17 | -180 | -59.4 | -177.9 | 0 | 0 | 0 | 112.6 | S702 L1102 | I700-S702 VanDerWaalsContact C-N 3.35Å; I700-S702 PolarHBondContact O-N 2.85Å; I700-L1102 HydrophobicContact CD1-CD2 3.69Å; I700-L1102 HydrophobicContact CG2-CD2 4.46Å |
| 701 | S | 29.4 | Very low | 32.8 | Very low | 72 Ų | 72 | 118 Ų | 118 | 50% | 0.503 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -83.4 | -0.7 | -178.5 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | S703 | S701-S703 PolarHBondContact O-N 2.89Š|
| 702 | S | 26.5 | Very low | 31.3 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 56.6 | -170.3 | 65.1 | 0 | 0 | 0 | 0 | 114 | I700 | I700-S702 VanDerWaalsContact C-N 3.35Å; I700-S702 PolarHBondContact O-N 2.85Å |
| 703 | S | 26.7 | Very low | 30.1 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 57% | 0.566 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.5 | -9.8 | 170 | 60.5 | 0 | 0 | 0 | 0 | 115.8 | S701 | S701-S703 PolarHBondContact O-N 2.89Š|
| 704 | T | 26.5 | Very low | 29.2 | Very low | 48 Ų | 48 | 124.1 Ų | 124.1 | 29% | 0.294 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -114.2 | 65.3 | -171.5 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 705 | T | 26.4 | Very low | 28.4 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 67% | 0.667 | S | S | * | * | trans | 179 | 97.8 | 145.3 | 29.9 | 0 | 0 | 0 | 0 | 109.7 | G707 | T705-G707 PolarHBondContact O-N 3.18Š| ||
| 706 | Y | 24.3 | Very low | 27.9 | Very low | 253 Ų | 253 | 119.9 Ų | 119.9 | 99% | 0.992 | 66% | 0.657 | S | S | * | * | trans | -89.4 | 79.9 | 161.3 | -121.6 | -90.3 | 0 | 0 | 0 | 108 | ||||
| 707 | G | 23.9 | Very low | 27.6 | Very low | 50 Ų | 50 | 125.2 Ų | 125.2 | 52% | 0.515 | 68% | 0.683 | S | S | . | * | trans | -168 | 117.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T705 | T705-G707 PolarHBondContact O-N 3.18Š| ||
| 708 | N | 25 | Very low | 27.3 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 89% | 0.893 | 69% | 0.691 | S | S | * | * | trans | 71.3 | 167.1 | 175 | -56.1 | -44.9 | 0 | 0 | 0 | 117.4 | ||||
| 709 | I | 27 | Very low | 27 | Very low | 164 Ų | 164 | 129 Ų | 129 | 84% | 0.841 | 70% | 0.703 | S | S | * | * | trans | 70.2 | 69.3 | -178.1 | -42.8 | -177.1 | 0 | 0 | 0 | 114.7 | ||||
| 710 | L | 24.1 | Very low | 26.8 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | -54.1 | 125.9 | 138 | -73.6 | 155.2 | 0 | 0 | 0 | 109.4 | ||||
| 711 | K | 26.4 | Very low | 26.2 | Very low | 182 Ų | 182 | 128.8 Ų | 128.8 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | 162.6 | 158.4 | 122.2 | -92.3 | 174.4 | -178.6 | -179.4 | 0 | 115.7 | |||||
| 712 | D | 29.4 | Very low | 26 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | trans | 65.1 | 91.4 | 151.9 | -68.3 | -50.1 | 0 | 0 | 0 | 121.4 | ||||
| 713 | N | 27.4 | Very low | 26.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | 67.7 | 104.5 | 112.2 | -77.7 | -54.7 | 0 | 0 | 0 | 121.5 | |||||
| 714 | Q | 25.9 | Very low | 26.1 | Very low | 145 Ų | 145 | 136 Ų | 136 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | 69 | 136.9 | 121.2 | -71.1 | -166.2 | 37.6 | 0 | 0 | 122.3 | |||||
| 715 | N | 26.4 | Very low | 26.1 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | 66.2 | 128.8 | 151.9 | -54.2 | -25.3 | 0 | 0 | 0 | 116.5 | ||||
| 716 | S | 27.3 | Very low | 26.2 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | cis | -165.8 | 156.5 | 13.9 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 717 | N | 25.1 | Very low | 26.4 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | trans | 40.2 | 112.9 | 146.3 | -57.3 | -14.2 | 0 | 0 | 0 | 119.9 | ||||
| 718 | S | 25.5 | Very low | 26.5 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | 172.5 | 150 | 98.7 | 49 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 719 | H | 25.7 | Very low | 26.6 | Very low | 197 Ų | 197 | 125.9 Ų | 125.9 | 91% | 0.912 | 69% | 0.686 | S | S | * | * | trans | 31.9 | 127.3 | 159.6 | -61 | -67 | 0 | 0 | 0 | 122.7 | ||||
| 720 | G | 27 | Very low | 26.6 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 87% | 0.866 | 69% | 0.685 | S | S | * | * | trans | 165.4 | 80.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 721 | T | 24.4 | Very low | 26.8 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | trans | -86.9 | 131 | 179.8 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 722 | F | 26.2 | Very low | 26.9 | Very low | 219 Ų | 219 | 116.7 Ų | 116.7 | 96% | 0.961 | 67% | 0.67 | S | S | * | * | trans | -156.7 | 154.8 | 145.3 | -111.5 | -76.2 | 0 | 0 | 0 | 110.9 | ||||
| 723 | S | 28.1 | Very low | 26.9 | Very low | 61 Ų | 61 | 116.9 Ų | 116.9 | 43% | 0.427 | 68% | 0.676 | S | S | . | * | trans | -119.9 | 137 | -154 | 70.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 724 | K | 26.8 | Very low | 27.1 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 54% | 0.543 | 67% | 0.671 | S | S | . | * | 37.3 | 125.5 | 129.5 | -57 | 175.9 | -176.7 | 179.4 | 0 | 119.7 | F828 F830 | K724-F828 PolarHBondContact NZ-O 2.97Å; K724-F830 HydrophobicContact CB-CB 3.97Å; K724-F830 VanDerWaalsContact O-CB 3.27Å; K724-F830 WeakPolarHBondContact O-CB 3.47Å | |||
| 725 | T | 25.8 | Very low | 27.3 | Very low | 75 Ų | 75 | 111 Ų | 111 | 46% | 0.46 | 66% | 0.66 | S | S | . | * | trans | -136.1 | 43.1 | 160.9 | -35.3 | 0 | 0 | 0 | 0 | 113.2 | S831 K832 M833 | T725-S831 VanDerWaalsContact C-C 3.46Å; T725-S831 WeakPolarHBondContact CG2-O 3.18Å; T725-K832 WeakPolarHBondContact O-CA 3.41Å; T725-K832 PolarHBondContact O-N 2.9Å; T725-K832 VanDerWaalsContact O-N 3.15Å; T725-M833 HydrophobicContact CG2-CB 4.11Å; T725-M833 HydrophobicContact CG2-CG 3.73Å; T725-M833 HydrophobicContact CG2-SD 3.9Å; T725-M833 PolarHBondContact O-N 2.81Å | ||
| 726 | V | 27.8 | Very low | 27.4 | Very low | 29 Ų | 29 | 109 Ų | 109 | 18% | 0.176 | 66% | 0.662 | C | S | . | * | trans | -146.8 | 157.1 | -178.9 | -87.2 | 0 | 0 | 0 | 0 | 113.7 | Q757 R758 F759 K832 | V726-Q757 HydrophobicContact CG1-CB 4.01Å; V726-R758 WeakPolarHBondContact CB-O 3.14Å; V726-R758 HydrophobicContact CG1-CB 4.38Å; V726-R758 VanDerWaalsContact CG1-N 3.3Å; V726-R758 WeakPolarHBondContact CG2-O 3.25Å; V726-F759 HydrophobicContact CG1-CD2 4.47Å; V726-F759 HydrophobicContact CG2-CB 3.81Å; V726-F759 HydrophobicContact CG2-CD2 3.4Å; V726-F759 HydrophobicContact CG2-CE2 4.26Å; V726-F759 HydrophobicContact CG2-CG 3.94Å; V726-K832 VanDerWaalsContact N-N 3.1Å | ||
| 727 | K | 28.9 | Very low | 27.6 | Very low | 135 Ų | 135 | 108.1 Ų | 108.1 | 59% | 0.587 | 66% | 0.661 | S | S | * | * | trans | -145.2 | 65.1 | -177.5 | -40.5 | 135.4 | 90.6 | 179.8 | 0 | 113 | Q757 K832 | K727-Q757 PolarHBondContact N-O 3.19Å; K727-K832 VanDerWaalsContact C-NZ 3.31Å; K727-K832 HydrophobicContact CB-CB 4.01Å; K727-K832 HydrophobicContact CB-CD 3.64Å; K727-K832 HydrophobicContact CB-CG 4.42Å; K727-K832 HydrophobicContact CD-CB 3.25Å; K727-K832 HydrophobicContact CD-CD 3.97Å; K727-K832 HydrophobicContact CD-CG 4.3Å; K727-K832 HydrophobicContact CG-CB 3.64Å; K727-K832 HydrophobicContact CG-CD 4.19Å; K727-K832 WeakPolarHBondContact O-CD 3.44Å; K727-K832 WeakPolarHBondContact O-CE 3.48Å; K727-K832 PolarHBondContact O-NZ 2.84Å | ||
| 728 | G | 25.4 | Very low | 27.7 | Very low | 42 Ų | 42 | 106.3 Ų | 106.3 | 43% | 0.433 | 65% | 0.646 | S | S | . | * | trans | 57.2 | -173.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | K832 | G728-K832 PolarHBondContact O-NZ 2.76Š| ||
| 729 | I | 28 | Very low | 27.7 | Very low | 157 Ų | 157 | 105.9 Ų | 105.9 | 81% | 0.805 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -134.4 | 160.8 | 162.1 | -75.8 | 173.8 | 0 | 0 | 0 | 104.6 | S731 | I729-S731 PolarHBondContact O-N 3.03Š|
| 730 | C | 26.4 | Very low | 27.8 | Very low | 120 Ų | 120 | 106.1 Ų | 106.1 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | trans | -54.7 | 124.2 | -175.6 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | C732 | C730-C732 PolarHBondContact O-N 3.22Å; C730-C732 VanDerWaalsContact O-N 3.14Å | ||
| 731 | S | 29.2 | Very low | 27.7 | Very low | 111 Ų | 111 | 108.8 Ų | 108.8 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | trans | -79.4 | 90.9 | 175.9 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | I729 | I729-S731 PolarHBondContact O-N 3.03Š| ||
| 732 | C | 28 | Very low | 27.8 | Very low | 77 Ų | 77 | 107.5 Ų | 107.5 | 52% | 0.52 | 63% | 0.629 | S | S | . | * | trans | -109.4 | 61.1 | 179.9 | -138.7 | 0 | 0 | 0 | 0 | 110.8 | C730 S734 C735 A736 | C730-C732 PolarHBondContact O-N 3.22Å; C730-C732 VanDerWaalsContact O-N 3.14Å; C732-S734 PolarHBondContact O-N 2.99Å; C732-S734 VanDerWaalsContact O-N 3.15Å; C732-C735 HydrophobicContact CB-CB 4.1Å; C732-C735 PolarHBondContact O-N 3.27Å; C732-A736 PolarHBondContact O-N 2.75Å | ||
| 733 | T | 29.6 | Very low | 27.8 | Very low | 128 Ų | 128 | 100.8 Ų | 100.8 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -1.8 | -165.2 | 36 | 0 | 0 | 0 | 0 | 116.2 | ||
| 734 | S | 31.1 | Very low | 27.8 | Very low | 74 Ų | 74 | 100.5 Ų | 100.5 | 52% | 0.517 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.8 | 2.3 | 164.7 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | N185 C732 | N185-S734 PolarHBondContact OD1-OG 3.05Å; C732-S734 PolarHBondContact O-N 2.99Å; C732-S734 VanDerWaalsContact O-N 3.15Å |
| 735 | C | 30.3 | Very low | 27.8 | Very low | 66 Ų | 66 | 100.5 Ų | 100.5 | 45% | 0.446 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.3 | -5.4 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | C732 A737 F738 | C732-C735 HydrophobicContact CB-CB 4.1Å; C732-C735 PolarHBondContact O-N 3.27Å; C735-A737 PolarHBondContact O-N 3.04Å; C735-F738 PolarHBondContact O-N 3Å |
| 736 | A | 29.7 | Very low | 27.9 | Very low | 95 Ų | 95 | 104.6 Ų | 104.6 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 26.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | C732 | C732-A736 PolarHBondContact O-N 2.75Š|
| 737 | A | 30 | Very low | 28 | Very low | 83 Ų | 83 | 106.9 Ų | 106.9 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | -6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C735 | C735-A737 PolarHBondContact O-N 3.04Š|
| 738 | F | 28.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 107.7 Ų | 107.7 | 50% | 0.496 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -139.8 | 25.6 | -172 | -84.5 | -80 | 0 | 0 | 0 | 114.4 | C735 Y781 | C735-F738 PolarHBondContact O-N 3Å; F738-Y781 HydrophobicContact CE2-CE2 4.06Å; F738-Y781 HydrophobicContact CZ-CE2 4.11Å |
| 739 | C | 24.4 | Very low | 28 | Very low | 99 Ų | 99 | 111.8 Ų | 111.8 | 67% | 0.669 | 67% | 0.667 | S | S | * | * | trans | -130.7 | 86.2 | -178.7 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 740 | F | 27.8 | Very low | 28 | Very low | 201 Ų | 201 | 111 Ų | 111 | 88% | 0.882 | 67% | 0.665 | S | S | * | * | trans | -128.3 | 149.9 | 155.1 | -91.3 | -87.5 | 0 | 0 | 0 | 109.8 | ||||
| 741 | N | 25.2 | Very low | 28 | Very low | 141 Ų | 141 | 113.9 Ų | 113.9 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | trans | -70.2 | 157.3 | -170.6 | -91.7 | -14.5 | 0 | 0 | 0 | 112.8 | ||||
| 742 | P | 26.9 | Very low | 27.9 | Very low | 107 Ų | 107 | 115.4 Ų | 115.4 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | -118.6 | 147.4 | 94.9 | 34.8 | -35.1 | 0 | 0 | 0 | 114.3 | |||||
| 743 | S | 26.1 | Very low | 27.9 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 54% | 0.538 | 68% | 0.68 | S | S | . | * | trans | -81.4 | 155.5 | 173.6 | -45.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 744 | I | 27.5 | Very low | 27.9 | Very low | 56 Ų | 56 | 123.3 Ų | 123.3 | 29% | 0.287 | 68% | 0.677 | S | S | . | * | -140.3 | -177.8 | 100.1 | -81.3 | -121.1 | 0 | 0 | 0 | 108.5 | N601 Y602 | N601-I744 HydrophobicContact CB-CG2 3.32Å; Y602-I744 VanDerWaalsContact CB-CG2 3.47Å; Y602-I744 HydrophobicContact CD1-CB 2.32Å; Y602-I744 HydrophobicContact CD1-CD1 3.03Å; Y602-I744 HydrophobicContact CD1-CG1 2.63Å; Y602-I744 HydrophobicContact CD1-CG2 2.3Å; Y602-I744 HydrophobicContact CD2-CB 2.3Å; Y602-I744 HydrophobicContact CD2-CG1 3.45Å; Y602-I744 VanDerWaalsContact CD2-CG1 3.45Å; Y602-I744 HydrophobicContact CD2-CG2 2.3Å; Y602-I744 HydrophobicContact CE1-CB 2.33Å; Y602-I744 HydrophobicContact CE1-CD1 3.36Å; Y602-I744 HydrophobicContact CE1-CG1 3.23Å; Y602-I744 HydrophobicContact CE1-CG2 2.31Å; Y602-I744 HydrophobicContact CE2-CB 2.31Å; Y602-I744 HydrophobicContact CE2-CG1 3.93Å; Y602-I744 HydrophobicContact CE2-CG2 2.29Å; Y602-I744 VanDerWaalsContact CE2-N 3.28Å; Y602-I744 WeakPolarHBondContact CE2-O 3.39Å; Y602-I744 HydrophobicContact CG-CB 2.32Å; Y602-I744 HydrophobicContact CG-CD1 3.86Å; Y602-I744 HydrophobicContact CG-CG1 2.77Å; Y602-I744 HydrophobicContact CG-CG2 2.3Å; Y602-I744 WeakPolarHBondContact OH-CG2 3.43Å | |||
| 745 | H | 27.8 | Very low | 28.1 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 57% | 0.574 | 68% | 0.677 | S | S | * | * | trans | -67.7 | 171.2 | -175.3 | -46 | -105.1 | 0 | 0 | 0 | 115.1 | Y602 | Y602-H745 WeakPolarHBondContact CE2-O 3.49Å; Y602-H745 VanDerWaalsContact OH-C 3.3Å; Y602-H745 WeakPolarHBondContact OH-CA 3.48Å; Y602-H745 VanDerWaalsContact OH-CB 3.31Å; Y602-H745 WeakPolarHBondContact OH-CB 3.2Å; Y602-H745 PolarHBondContact OH-N 2.85Å; Y602-H745 PolarHBondContact OH-O 3.11Å | ||
| 746 | L | 27.6 | Very low | 28 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 84% | 0.843 | 68% | 0.677 | S | S | * | * | -117 | 134.9 | 110.1 | -100.4 | 162.5 | 0 | 0 | 0 | 106.4 | |||||
| 747 | S | 28.9 | Very low | 28 | Very low | 78 Ų | 78 | 123.4 Ų | 123.4 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | trans | -91.8 | 135.9 | -163 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 748 | N | 27.5 | Very low | 28 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | trans | 51.9 | 128.3 | 151.3 | -53.6 | -19.2 | 0 | 0 | 0 | 117.3 | ||||
| 749 | T | 27.4 | Very low | 28 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | cis | -138 | 177.6 | 22.6 | 53.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 750 | D | 28.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | cis | -148.4 | 174.8 | 14.5 | -148.6 | -23.1 | 0 | 0 | 0 | 112.4 | ||||
| 751 | K | 25.9 | Very low | 28.2 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 79% | 0.787 | 66% | 0.655 | S | S | * | * | trans | -80.8 | 131.7 | -171.7 | -58.3 | 162.8 | -175.8 | 170.8 | 0 | 112 | ||||
| 752 | N | 27.6 | Very low | 28.3 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | -176.8 | 138.5 | 121 | -106.8 | -74.1 | 0 | 0 | 0 | 116.1 | |||||
| 753 | R | 28.1 | Very low | 28.3 | Very low | 233 Ų | 233 | 131.5 Ų | 131.5 | 88% | 0.879 | 66% | 0.663 | S | S | * | * | trans | 74.9 | 127.4 | 156.7 | -64.2 | 177.2 | -176.9 | -169.8 | -2.6 | 119.3 | ||||
| 754 | N | 28.9 | Very low | 28.3 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | trans | -112.7 | 178 | -164.9 | -122.3 | -2.8 | 0 | 0 | 0 | 112.3 | ||||
| 755 | P | 34.6 | Very low | 28.1 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 50% | 0.5 | 69% | 0.688 | S | S | . | * | trans | -114.8 | -159.2 | 171.1 | 30.8 | -10.8 | 0 | 0 | 0 | 111.1 | ||||
| 756 | L | 28 | Very low | 28 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 45% | 0.445 | 68% | 0.679 | S | S | . | * | 163.4 | 169.4 | 113.6 | -105.9 | 173.2 | 0 | 0 | 0 | 118 | K832 | L756-K832 VanDerWaalsContact C-NZ 3.34Å; L756-K832 WeakPolarHBondContact O-CE 3.38Å; L756-K832 WeakPolarHBondContact O-CG 3.31Å | |||
| 757 | Q | 30.9 | Very low | 28.2 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 36% | 0.355 | 65% | 0.65 | S | S | . | * | trans | 76.2 | 163.5 | 175.6 | -53.2 | -159.3 | 89 | 0 | 0 | 117.9 | V726 K727 K832 | V726-Q757 HydrophobicContact CG1-CB 4.01Å; K727-Q757 PolarHBondContact N-O 3.19Å; Q757-K832 PolarHBondContact O-NZ 3.04Å | ||
| 758 | R | 29.7 | Very low | 27.9 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 62% | 0.615 | 65% | 0.653 | S | S | * | * | cis | -169.7 | -161.7 | -26.2 | -100.3 | -170.5 | 168.4 | 134.6 | -13.5 | 106.8 | V726 | V726-R758 WeakPolarHBondContact CB-O 3.14Å; V726-R758 HydrophobicContact CG1-CB 4.38Å; V726-R758 VanDerWaalsContact CG1-N 3.3Å; V726-R758 WeakPolarHBondContact CG2-O 3.25Å | ||
| 759 | F | 27.7 | Very low | 27.8 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 70% | 0.697 | 64% | 0.643 | S | S | * | * | trans | 70.8 | 109.5 | 168.5 | -53.2 | -33.8 | 0 | 0 | 0 | 119.1 | V726 | V726-F759 HydrophobicContact CG1-CD2 4.47Å; V726-F759 HydrophobicContact CG2-CB 3.81Å; V726-F759 HydrophobicContact CG2-CD2 3.4Å; V726-F759 HydrophobicContact CG2-CE2 4.26Å; V726-F759 HydrophobicContact CG2-CG 3.94Å | ||
| 760 | N | 29.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | cis | 69.9 | 145 | 20.4 | -52.4 | 16.3 | 0 | 0 | 0 | 114.3 | ||||
| 761 | T | 27.7 | Very low | 27.5 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 66% | 0.663 | 65% | 0.651 | S | S | * | * | cis | -149.7 | 168.7 | 0.9 | 7.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 762 | H | 26.4 | Very low | 27.5 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 74% | 0.736 | 65% | 0.649 | S | S | * | * | -173.6 | 147.3 | 63.8 | -97.4 | -88.8 | 0 | 0 | 0 | 111.5 | |||||
| 763 | Q | 27.8 | Very low | 27.5 | Very low | 185 Ų | 185 | 122.2 Ų | 122.2 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | trans | 151.1 | 106.7 | 148.2 | -90.6 | 179.9 | -12 | 0 | 0 | 107.5 | ||||
| 764 | S | 25.4 | Very low | 27.3 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 63% | 0.629 | 65% | 0.648 | S | S | * | * | cis | 112.2 | 117.4 | 17.4 | 71.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 765 | S | 24.6 | Very low | 27.3 | Very low | 103 Ų | 103 | 116 Ų | 116 | 72% | 0.72 | 64% | 0.639 | S | S | * | * | trans | 58.9 | 157.6 | -160.7 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 766 | I | 25.7 | Very low | 27 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 40% | 0.4 | 64% | 0.644 | S | S | . | * | -169 | 136.6 | 59.4 | -78.3 | -172.1 | 0 | 0 | 0 | 106.8 | S207 R208 | S207-I766 WeakPolarHBondContact OG-CG2 3.28Å; R208-I766 HydrophobicContact CG-CG2 3.46Å; R208-I766 VanDerWaalsContact CG-CG2 3.46Å; R208-I766 PolarHBondContact NH2-O 3.42Å | |||
| 767 | F | 30.1 | Very low | 27 | Very low | 50 Ų | 50 | 120.5 Ų | 120.5 | 22% | 0.219 | 65% | 0.649 | C | S | . | * | trans | 85.9 | 99.6 | 175.3 | -86.1 | -130.1 | 0 | 0 | 0 | 119.1 | F201 Y202 D205 R208 | F201-F767 HydrophobicContact CB-CZ 3.81Å; F201-F767 AromaticContact CD1-CE1 3.52Å; F201-F767 HydrophobicContact CD1-CE1 3.52Å; F201-F767 AromaticContact CD1-CZ 3.55Å; F201-F767 HydrophobicContact CD1-CZ 3.55Å; F201-F767 AromaticContact CE1-CE1 3.91Å; F201-F767 HydrophobicContact CE1-CE1 3.91Å; F201-F767 HydrophobicContact CE1-CZ 4.39Å; F201-F767 HydrophobicContact CG-CE1 4.17Å; F201-F767 AromaticContact CG-CZ 3.86Å; F201-F767 HydrophobicContact CG-CZ 3.86Å; Y202-F767 AromaticContact CD2-CD1 3.99Å; Y202-F767 HydrophobicContact CD2-CD1 3.99Å; Y202-F767 AromaticContact CD2-CE1 3.5Å; Y202-F767 HydrophobicContact CD2-CE1 3.5Å; Y202-F767 VanDerWaalsContact CD2-CE1 3.5Å; Y202-F767 HydrophobicContact CD2-CE2 4.14Å; Y202-F767 HydrophobicContact CD2-CG 4.5Å; Y202-F767 AromaticContact CD2-CZ 3.53Å; Y202-F767 HydrophobicContact CD2-CZ 3.53Å; Y202-F767 HydrophobicContact CE1-CE1 4.29Å; Y202-F767 AromaticContact CE2-CD1 3.41Å; Y202-F767 HydrophobicContact CE2-CD1 3.41Å; Y202-F767 VanDerWaalsContact CE2-CD1 3.41Å; Y202-F767 AromaticContact CE2-CE1 3.16Å; Y202-F767 HydrophobicContact CE2-CE1 3.16Å; Y202-F767 HydrophobicContact CE2-CG 4.21Å; Y202-F767 AromaticContact CE2-CZ 3.74Å; Y202-F767 HydrophobicContact CE2-CZ 3.74Å; Y202-F767 HydrophobicContact CG-CE1 4.2Å; Y202-F767 HydrophobicContact CG-CZ 4.02Å; Y202-F767 AromaticContact CZ-CE1 3.62Å; D205-F767 HydrophobicContact CB-CE2 4.32Å; D205-F767 WeakPolarHBondContact OD2-CA 3.36Å; D205-F767 PolarHBondContact OD2-N 2.82Å; D205-F767 VanDerWaalsContact OD2-N 3.09Å; R208-F767 HydrophobicContact CB-CD2 4.13Å; R208-F767 HydrophobicContact CB-CE2 3.44Å; R208-F767 VanDerWaalsContact CB-CE2 3.44Å; R208-F767 HydrophobicContact CB-CZ 3.81Å; R208-F767 HydrophobicContact CG-CD2 3.65Å; R208-F767 HydrophobicContact CG-CE2 3.5Å; R208-F767 HydrophobicContact CG-CG 4.42Å; R208-F767 HydrophobicContact CG-CZ 4.12Å; R208-F767 VanDerWaalsContact CZ-CG 3.46Å; R208-F767 VanDerWaalsContact NH1-CG 3.31Å | ||
| 768 | S | 24.2 | Very low | 26.9 | Very low | 88 Ų | 88 | 123.3 Ų | 123.3 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | trans | -86.9 | 168.8 | 158.7 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | Y202 D205 | Y202-S768 VanDerWaalsContact CE2-O 3.25Å; Y202-S768 WeakPolarHBondContact CE2-O 3.42Å; D205-S768 PolarHBondContact OD2-N 3.36Å | ||
| 769 | G | 24.2 | Very low | 26.8 | Very low | 58 Ų | 58 | 119 Ų | 119 | 60% | 0.598 | 67% | 0.673 | S | S | * | * | trans | 124.9 | 109.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 770 | K | 27.6 | Very low | 27.2 | Very low | 199 Ų | 199 | 114.1 Ų | 114.1 | 87% | 0.865 | 65% | 0.654 | S | S | * | * | trans | 70.2 | 85 | 153 | -59 | -170.2 | 177.4 | -173.7 | 0 | 120.4 | ||||
| 771 | T | 23.3 | Very low | 27.2 | Very low | 137 Ų | 137 | 114.4 Ų | 114.4 | 84% | 0.84 | 65% | 0.646 | S | S | * | * | 29.4 | 114.4 | 118.8 | 57.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 772 | A | 25 | Very low | 27.4 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | trans | -173.4 | 130.9 | 133.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 773 | I | 27.3 | Very low | 27.6 | Very low | 152 Ų | 152 | 115.9 Ų | 115.9 | 78% | 0.779 | 64% | 0.644 | S | S | * | * | trans | 50.8 | 110.5 | 155.4 | -51.5 | 165.5 | 0 | 0 | 0 | 117.4 | ||||
| 774 | T | 25.5 | Very low | 27.9 | Very low | 138 Ų | 138 | 109.4 Ų | 109.4 | 85% | 0.847 | 62% | 0.617 | S | S | * | * | trans | -133.6 | 86.3 | 168.4 | 52 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 775 | D | 27.5 | Very low | 28.6 | Very low | 102 Ų | 102 | 107.3 Ų | 107.3 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | -124.4 | 138.2 | 177.4 | -84 | -61.6 | 0 | 0 | 0 | 112.8 | F777 | D775-F777 WeakPolarHBondContact O-CD2 3.32Å; D775-F777 PolarHBondContact O-N 3.21Å | ||
| 776 | H | 28.1 | Very low | 29.4 | Very low | 132 Ų | 132 | 111 Ų | 111 | 61% | 0.611 | 60% | 0.599 | S | S | * | * | trans | 37.3 | 66.6 | 157.3 | -69.1 | -77.9 | 0 | 0 | 0 | 120.4 | H567 | H567-H776 AromaticContact CE1-CD2 3.91Å; H567-H776 AromaticContact CE1-CE1 3.95Å; H567-H776 AromaticContact CE1-NE2 3.5Å | ||
| 777 | F | 29.2 | Very low | 30.3 | Very low | 126 Ų | 126 | 110 Ų | 110 | 55% | 0.553 | 60% | 0.596 | S | S | * | * | trans | -129.1 | 84.2 | 163.4 | -81.5 | -81.6 | 0 | 0 | 0 | 113.8 | D775 D780 | D775-F777 WeakPolarHBondContact O-CD2 3.32Å; D775-F777 PolarHBondContact O-N 3.21Å; F777-D780 HydrophobicContact CD1-CB 3.82Å; F777-D780 HydrophobicContact CE1-CB 4.03Å | ||
| 778 | N | 27.5 | Very low | 31.1 | Very low | 134 Ų | 134 | 112.8 Ų | 112.8 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -133 | 1.5 | 170.9 | -106.2 | -33.4 | 0 | 0 | 0 | 115.6 | ||
| 779 | G | 29.3 | Very low | 32.3 | Very low | 73 Ų | 73 | 114.6 Ų | 114.6 | 75% | 0.753 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -112.7 | -12.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 780 | D | 34.9 | Very low | 33.4 | Very low | 56 Ų | 56 | 115 Ų | 115 | 30% | 0.299 | 59% | 0.591 | S | S | . | * | trans | -106.6 | -12.2 | -161.8 | -110.6 | 39.3 | 0 | 0 | 0 | 115.2 | F777 E782 K783 T784 | F777-D780 HydrophobicContact CD1-CB 3.82Å; F777-D780 HydrophobicContact CE1-CB 4.03Å; D780-E782 VanDerWaalsContact C-N 3.25Å; D780-E782 PolarHBondContact O-N 3.29Å; D780-K783 CarbonylContact O-C 3.36Å; D780-K783 VanDerWaalsContact O-CA 3.29Å; D780-K783 WeakPolarHBondContact O-CA 3.5Å; D780-K783 VanDerWaalsContact O-CB 3.28Å; D780-K783 WeakPolarHBondContact O-CB 3.29Å; D780-K783 PolarHBondContact O-N 3.32Å; D780-K783 WeakPolarHBondContact OD1-CD 3.45Å; D780-K783 WeakPolarHBondContact OD1-CE 3.48Å; D780-K783 IonicContact OD1-NZ 3.79Å; D780-K783 PolarHBondContact OD1-NZ 3.46Å; D780-K783 IonicContact OD2-NZ 2.73Å; D780-T784 PolarHBondContact O-N 2.89Å; D780-T784 PolarHBondContact O-OG1 2.84Å; D780-T784 VanDerWaalsContact O-OG1 3.04Å | ||
| 781 | Y | 31.1 | Very low | 34.5 | Very low | 145 Ų | 145 | 107.8 Ų | 107.8 | 57% | 0.569 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -54.9 | -31.8 | -168.6 | -159.7 | -88.4 | 0 | 0 | 0 | 115.2 | F738 T784 T785 | F738-Y781 HydrophobicContact CE2-CE2 4.06Å; F738-Y781 HydrophobicContact CZ-CE2 4.11Å; Y781-T784 PolarHBondContact O-N 2.69Å; Y781-T785 HydrophobicContact CD1-CG2 3.94Å; Y781-T785 HydrophobicContact CE1-CG2 3.67Å; Y781-T785 WeakPolarHBondContact O-CB 3.34Å; Y781-T785 WeakPolarHBondContact O-CG2 3.36Å; Y781-T785 PolarHBondContact O-N 3.3Å; Y781-T785 PolarHBondContact O-OG1 3.34Å |
| 782 | E | 30.9 | Very low | 35.8 | Very low | 173 Ų | 173 | 103.7 Ų | 103.7 | 81% | 0.808 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.6 | -27.5 | 174.6 | -165.4 | 171.1 | -126.1 | 0 | 0 | 113 | D780 T785 R786 | D780-E782 VanDerWaalsContact C-N 3.25Å; D780-E782 PolarHBondContact O-N 3.29Å; E782-T785 PolarHBondContact O-OG1 3.1Å; E782-R786 WeakPolarHBondContact O-CB 3.49Å; E782-R786 PolarHBondContact O-N 3.47Å |
| 783 | K | 30.8 | Very low | 37.1 | Very low | 126 Ų | 126 | 102.9 Ų | 102.9 | 55% | 0.548 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.3 | -45.2 | 163.1 | -66.1 | 158.6 | 173.8 | 175.8 | 0 | 110.7 | D780 T785 R786 V787 | D780-K783 CarbonylContact O-C 3.36Å; D780-K783 VanDerWaalsContact O-CA 3.29Å; D780-K783 WeakPolarHBondContact O-CA 3.5Å; D780-K783 VanDerWaalsContact O-CB 3.28Å; D780-K783 WeakPolarHBondContact O-CB 3.29Å; D780-K783 PolarHBondContact O-N 3.32Å; D780-K783 WeakPolarHBondContact OD1-CD 3.45Å; D780-K783 WeakPolarHBondContact OD1-CE 3.48Å; D780-K783 IonicContact OD1-NZ 3.79Å; D780-K783 PolarHBondContact OD1-NZ 3.46Å; D780-K783 IonicContact OD2-NZ 2.73Å; K783-T785 PolarHBondContact O-N 2.99Å; K783-R786 CarbonylContact O-C 3.54Å; K783-R786 WeakPolarHBondContact O-CA 3.42Å; K783-R786 PolarHBondContact O-N 3.16Å; K783-R786 VanDerWaalsContact O-N 3.11Å; K783-V787 WeakPolarHBondContact O-CB 3.28Å; K783-V787 VanDerWaalsContact O-CG2 3.28Å; K783-V787 WeakPolarHBondContact O-CG2 3.39Å; K783-V787 PolarHBondContact O-N 2.93Å |
| 784 | T | 34.5 | Very low | 38.3 | Very low | 48 Ų | 48 | 100.8 Ų | 100.8 | 29% | 0.294 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -50.9 | -176.9 | -39.1 | 0 | 0 | 0 | 0 | 110.3 | D780 Y781 R786 V787 E788 | D780-T784 PolarHBondContact O-N 2.89Å; D780-T784 PolarHBondContact O-OG1 2.84Å; D780-T784 VanDerWaalsContact O-OG1 3.04Å; Y781-T784 PolarHBondContact O-N 2.69Å; T784-R786 VanDerWaalsContact C-N 3.34Å; T784-R786 PolarHBondContact O-N 3.01Å; T784-V787 CarbonylContact O-C 3.6Å; T784-V787 PolarHBondContact O-N 3.42Å; T784-V787 VanDerWaalsContact O-N 3.14Å; T784-E788 WeakPolarHBondContact O-CB 3.49Å; T784-E788 WeakPolarHBondContact O-CG 3.37Å; T784-E788 PolarHBondContact O-N 3.19Å |
| 785 | T | 39.6 | Very low | 39.7 | Very low | 47 Ų | 47 | 95.6 Ų | 95.6 | 29% | 0.288 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 174.7 | 50.6 | 0 | 0 | 0 | 0 | 113 | Y781 E782 K783 R789 | Y781-T785 HydrophobicContact CD1-CG2 3.94Å; Y781-T785 HydrophobicContact CE1-CG2 3.67Å; Y781-T785 WeakPolarHBondContact O-CB 3.34Å; Y781-T785 WeakPolarHBondContact O-CG2 3.36Å; Y781-T785 PolarHBondContact O-N 3.3Å; Y781-T785 PolarHBondContact O-OG1 3.34Å; E782-T785 PolarHBondContact O-OG1 3.1Å; K783-T785 PolarHBondContact O-N 2.99Å; T785-R789 WeakPolarHBondContact O-CB 3.46Å; T785-R789 PolarHBondContact O-N 3.02Å |
| 786 | R | 42.2 | Very low | 41.1 | Very low | 181 Ų | 181 | 92.4 Ų | 92.4 | 68% | 0.683 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.6 | -34.7 | 173.3 | -176.6 | 172.4 | 178.2 | 159 | -1.3 | 112.9 | E782 K783 T784 L790 | E782-R786 WeakPolarHBondContact O-CB 3.49Å; E782-R786 PolarHBondContact O-N 3.47Å; K783-R786 CarbonylContact O-C 3.54Å; K783-R786 WeakPolarHBondContact O-CA 3.42Å; K783-R786 PolarHBondContact O-N 3.16Å; K783-R786 VanDerWaalsContact O-N 3.11Å; T784-R786 VanDerWaalsContact C-N 3.34Å; T784-R786 PolarHBondContact O-N 3.01Å; R786-L790 HydrophobicContact CG-CD1 4.19Å; R786-L790 WeakPolarHBondContact O-CB 3.43Å; R786-L790 WeakPolarHBondContact O-CD1 3.44Å; R786-L790 WeakPolarHBondContact O-CG 3.35Å; R786-L790 PolarHBondContact O-N 2.64Å |
| 787 | V | 43.5 | Very low | 42.2 | Very low | 56 Ų | 56 | 90.4 Ų | 90.4 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -75.1 | -48.3 | 177.4 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | K783 T784 R789 L790 D791 | K783-V787 WeakPolarHBondContact O-CB 3.28Å; K783-V787 VanDerWaalsContact O-CG2 3.28Å; K783-V787 WeakPolarHBondContact O-CG2 3.39Å; K783-V787 PolarHBondContact O-N 2.93Å; T784-V787 CarbonylContact O-C 3.6Å; T784-V787 PolarHBondContact O-N 3.42Å; T784-V787 VanDerWaalsContact O-N 3.14Å; V787-R789 PolarHBondContact O-N 3.47Å; V787-L790 CarbonylContact O-C 3.59Å; V787-L790 PolarHBondContact O-N 2.89Å; V787-L790 VanDerWaalsContact O-N 3.12Å; V787-D791 WeakPolarHBondContact O-CB 3.4Å; V787-D791 PolarHBondContact O-N 2.7Å |
| 788 | E | 47.4 | Very low | 43.2 | Very low | 109 Ų | 109 | 86.3 Ų | 86.3 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.9 | -40 | 172.8 | -75.1 | -172 | 133.5 | 0 | 0 | 112 | T784 M792 | T784-E788 WeakPolarHBondContact O-CB 3.49Å; T784-E788 WeakPolarHBondContact O-CG 3.37Å; T784-E788 PolarHBondContact O-N 3.19Å; E788-M792 VanDerWaalsContact O-CB 3.28Å; E788-M792 WeakPolarHBondContact O-CB 3.22Å; E788-M792 PolarHBondContact O-N 2.81Å |
| 789 | R | 49.2 | Very low | 44.5 | Very low | 125 Ų | 125 | 80.1 Ų | 80.1 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.3 | -39.5 | 176.7 | -167.7 | 176.2 | -167 | 118.5 | 5.4 | 112.5 | E179 T785 V787 D791 M792 I793 | E179-R789 IonicContact OE1-CZ 3.19Å; E179-R789 IonicContact OE1-NH1 2.73Å; E179-R789 PolarHBondContact OE1-NH1 3.37Å; E179-R789 IonicContact OE2-CZ 3.51Å; E179-R789 IonicContact OE2-NH1 3.87Å; E179-R789 PolarHBondContact OE2-NH1 3.5Å; E179-R789 IonicContact OE2-NH2 3.63Å; T785-R789 WeakPolarHBondContact O-CB 3.46Å; T785-R789 PolarHBondContact O-N 3.02Å; V787-R789 PolarHBondContact O-N 3.47Å; R789-D791 VanDerWaalsContact C-N 3.35Å; R789-M792 PolarHBondContact O-N 2.86Å; R789-I793 HydrophobicContact CG-CD1 4.36Å; R789-I793 WeakPolarHBondContact O-CB 3.47Å; R789-I793 WeakPolarHBondContact O-CD1 3.49Å; R789-I793 WeakPolarHBondContact O-CG1 3.45Å; R789-I793 PolarHBondContact O-N 2.94Å |
| 790 | L | 48 | Very low | 45.8 | Very low | 67 Ų | 67 | 80.1 Ų | 80.1 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 172.2 | -79.2 | 168.4 | 0 | 0 | 0 | 112.1 | R786 V787 I793 R794 | R786-L790 HydrophobicContact CG-CD1 4.19Å; R786-L790 WeakPolarHBondContact O-CB 3.43Å; R786-L790 WeakPolarHBondContact O-CD1 3.44Å; R786-L790 WeakPolarHBondContact O-CG 3.35Å; R786-L790 PolarHBondContact O-N 2.64Å; V787-L790 CarbonylContact O-C 3.59Å; V787-L790 PolarHBondContact O-N 2.89Å; V787-L790 VanDerWaalsContact O-N 3.12Å; L790-I793 PolarHBondContact O-N 3Å; L790-R794 WeakPolarHBondContact O-CB 3.15Å; L790-R794 WeakPolarHBondContact O-CD 3.48Å; L790-R794 WeakPolarHBondContact O-CG 3.41Å; L790-R794 PolarHBondContact O-N 3.12Å |
| 791 | D | 49.2 | Very low | 46.3 | Very low | 48 Ų | 48 | 83.2 Ų | 83.2 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -76.4 | -31.5 | 177.6 | -73.4 | -1.2 | 0 | 0 | 0 | 111.4 | R373 V787 R789 F795 | R373-D791 IonicContact NH1-OD1 3.97Å; R373-D791 PolarHBondContact NH1-OD1 3.47Å; V787-D791 WeakPolarHBondContact O-CB 3.4Å; V787-D791 PolarHBondContact O-N 2.7Å; R789-D791 VanDerWaalsContact C-N 3.35Å; D791-F795 WeakPolarHBondContact O-CB 3.26Å; D791-F795 PolarHBondContact O-N 2.91Å |
| 792 | M | 51.8 | Low | 47.1 | Very low | 50 Ų | 50 | 78.2 Ų | 78.2 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -52.7 | 166.6 | -169.9 | -172.4 | 83.7 | 0 | 0 | 109.9 | Y174 E788 R789 R794 F795 E796 | Y174-M792 HydrophobicContact CD1-CB 4.2Å; Y174-M792 HydrophobicContact CD1-CG 3.73Å; Y174-M792 HydrophobicContact CD1-SD 3.6Å; Y174-M792 HydrophobicContact CD2-CG 4.14Å; Y174-M792 HydrophobicContact CE1-CB 3.62Å; Y174-M792 HydrophobicContact CE1-CG 3.66Å; Y174-M792 HydrophobicContact CE1-SD 4.01Å; Y174-M792 HydrophobicContact CE2-CB 4.35Å; Y174-M792 HydrophobicContact CE2-CG 4.06Å; Y174-M792 HydrophobicContact CG-CG 3.97Å; Y174-M792 HydrophobicContact CG-SD 4.01Å; E788-M792 VanDerWaalsContact O-CB 3.28Å; E788-M792 WeakPolarHBondContact O-CB 3.22Å; E788-M792 PolarHBondContact O-N 2.81Å; R789-M792 PolarHBondContact O-N 2.86Å; M792-R794 PolarHBondContact O-N 3.32Å; M792-F795 PolarHBondContact O-N 2.73Å; M792-F795 VanDerWaalsContact O-N 3.16Å; M792-E796 WeakPolarHBondContact O-CB 3.48Å; M792-E796 WeakPolarHBondContact O-CG 3.48Å; M792-E796 PolarHBondContact O-N 3.13Å |
| 793 | I | 52.6 | Low | 47.9 | Very low | 72 Ų | 72 | 71.3 Ų | 71.3 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58 | -47.6 | 177.3 | -69.6 | 162.4 | 0 | 0 | 0 | 110.7 | R789 L790 F795 E796 D797 | R789-I793 HydrophobicContact CG-CD1 4.36Å; R789-I793 WeakPolarHBondContact O-CB 3.47Å; R789-I793 WeakPolarHBondContact O-CD1 3.49Å; R789-I793 WeakPolarHBondContact O-CG1 3.45Å; R789-I793 PolarHBondContact O-N 2.94Å; L790-I793 PolarHBondContact O-N 3Å; I793-F795 VanDerWaalsContact C-N 3.34Å; I793-F795 PolarHBondContact O-N 2.81Å; I793-E796 PolarHBondContact O-N 2.79Å; I793-D797 VanDerWaalsContact O-CB 3.32Å; I793-D797 WeakPolarHBondContact O-CB 3.48Å; I793-D797 PolarHBondContact O-N 2.88Å |
| 794 | R | 50.7 | Low | 48.3 | Very low | 109 Ų | 109 | 69.2 Ų | 69.2 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 176.7 | -74.7 | 164.8 | 174.9 | -152.4 | -5.6 | 112.8 | L790 M792 S798 | L790-R794 WeakPolarHBondContact O-CB 3.15Å; L790-R794 WeakPolarHBondContact O-CD 3.48Å; L790-R794 WeakPolarHBondContact O-CG 3.41Å; L790-R794 PolarHBondContact O-N 3.12Å; M792-R794 PolarHBondContact O-N 3.32Å; R794-S798 VanDerWaalsContact O-CB 3.23Å; R794-S798 WeakPolarHBondContact O-CB 3.41Å; R794-S798 PolarHBondContact O-N 2.81Å; R794-S798 PolarHBondContact O-OG 2.89Å |
| 795 | F | 56.3 | Low | 48.3 | Very low | 29 Ų | 29 | 76 Ų | 76 | 13% | 0.127 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 175.8 | -175.2 | -93.3 | 0 | 0 | 0 | 110.5 | Y118 I146 D791 M792 I793 S798 L799 | Y118-F795 HydrophobicContact CD2-CZ 4.5Å; Y118-F795 AromaticContact CE2-CE2 3.7Å; Y118-F795 HydrophobicContact CE2-CE2 3.7Å; Y118-F795 AromaticContact CE2-CZ 3.75Å; Y118-F795 HydrophobicContact CE2-CZ 3.75Å; Y118-F795 AromaticContact CZ-CE2 3.81Å; Y118-F795 AromaticContact CZ-CZ 3.8Å; Y118-F795 WeakPolarHBondContact OH-CE2 3.49Å; I146-F795 HydrophobicContact CD1-CD1 3.64Å; I146-F795 HydrophobicContact CD1-CE1 3.47Å; I146-F795 VanDerWaalsContact CD1-CE1 3.47Å; D791-F795 WeakPolarHBondContact O-CB 3.26Å; D791-F795 PolarHBondContact O-N 2.91Å; M792-F795 PolarHBondContact O-N 2.73Å; M792-F795 VanDerWaalsContact O-N 3.16Å; I793-F795 VanDerWaalsContact C-N 3.34Å; I793-F795 PolarHBondContact O-N 2.81Å; F795-S798 PolarHBondContact O-N 2.86Å; F795-L799 HydrophobicContact CE1-CD1 4.06Å; F795-L799 HydrophobicContact CE1-CD2 4.13Å; F795-L799 HydrophobicContact CE1-CG 4.5Å; F795-L799 HydrophobicContact CZ-CD1 4.1Å; F795-L799 WeakPolarHBondContact O-CB 3.48Å; F795-L799 PolarHBondContact O-N 3.39Å |
| 796 | E | 56.9 | Low | 47.7 | Very low | 35 Ų | 35 | 79.8 Ų | 79.8 | 16% | 0.164 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.9 | -71.1 | -168.1 | 124.2 | 0 | 0 | 112.3 | H124 I146 M792 I793 L799 Q800 | H124-E796 IonicContact CE1-OE1 2.63Å; H124-E796 IonicContact NE2-OE1 2.68Å; I146-E796 HydrophobicContact CG2-CG 4.27Å; I146-E796 VanDerWaalsContact CG2-OE1 3.3Å; I146-E796 WeakPolarHBondContact CG2-OE1 3.47Å; M792-E796 WeakPolarHBondContact O-CB 3.48Å; M792-E796 WeakPolarHBondContact O-CG 3.48Å; M792-E796 PolarHBondContact O-N 3.13Å; I793-E796 PolarHBondContact O-N 2.79Å; E796-L799 PolarHBondContact O-N 2.83Å; E796-Q800 WeakPolarHBondContact O-CB 3.38Å; E796-Q800 PolarHBondContact O-N 3.5Å |
| 797 | D | 50.6 | Low | 47.1 | Very low | 89 Ų | 89 | 82.3 Ų | 82.3 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 173.3 | -77.9 | -28.2 | 0 | 0 | 0 | 110.8 | I793 L799 Q800 N801 | I793-D797 VanDerWaalsContact O-CB 3.32Å; I793-D797 WeakPolarHBondContact O-CB 3.48Å; I793-D797 PolarHBondContact O-N 2.88Å; D797-L799 VanDerWaalsContact C-N 3.33Å; D797-L799 PolarHBondContact O-N 2.91Å; D797-Q800 PolarHBondContact O-N 2.75Å; D797-N801 WeakPolarHBondContact O-CB 3.24Å; D797-N801 PolarHBondContact O-N 3.11Å; D797-N801 PolarHBondContact O-ND2 3.42Å |
| 798 | S | 50.9 | Low | 46.3 | Very low | 41 Ų | 41 | 87 Ų | 87 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | R794 F795 L802 | R794-S798 VanDerWaalsContact O-CB 3.23Å; R794-S798 WeakPolarHBondContact O-CB 3.41Å; R794-S798 PolarHBondContact O-N 2.81Å; R794-S798 PolarHBondContact O-OG 2.89Å; F795-S798 PolarHBondContact O-N 2.86Å; S798-L802 VanDerWaalsContact O-CB 3.26Å; S798-L802 WeakPolarHBondContact O-CB 3.01Å; S798-L802 WeakPolarHBondContact O-CD1 3.42Å; S798-L802 PolarHBondContact O-N 2.78Å; S798-L802 VanDerWaalsContact O-N 3.08Å |
| 799 | L | 54 | Low | 45.2 | Very low | 3 Ų | 3 | 91 Ų | 91 | 2% | 0.016 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 177.8 | -164.1 | 82.4 | 0 | 0 | 0 | 112.2 | I115 I121 F795 E796 D797 L802 L803 | I115-L799 HydrophobicContact CD1-CD1 3.54Å; I115-L799 HydrophobicContact CD1-CG 4.33Å; I115-L799 HydrophobicContact CG1-CD1 3.36Å; I121-L799 HydrophobicContact CD1-CD1 4Å; I121-L799 HydrophobicContact CG2-CD2 4.41Å; F795-L799 HydrophobicContact CE1-CD1 4.06Å; F795-L799 HydrophobicContact CE1-CD2 4.13Å; F795-L799 HydrophobicContact CE1-CG 4.5Å; F795-L799 HydrophobicContact CZ-CD1 4.1Å; F795-L799 WeakPolarHBondContact O-CB 3.48Å; F795-L799 PolarHBondContact O-N 3.39Å; E796-L799 PolarHBondContact O-N 2.83Å; D797-L799 VanDerWaalsContact C-N 3.33Å; D797-L799 PolarHBondContact O-N 2.91Å; L799-L802 VanDerWaalsContact O-CB 3.28Å; L799-L802 WeakPolarHBondContact O-CB 3.49Å; L799-L802 PolarHBondContact O-N 3.27Å; L799-L803 HydrophobicContact CD1-CD1 4.48Å; L799-L803 HydrophobicContact CD2-CD1 4.44Å; L799-L803 HydrophobicContact CG-CD1 3.92Å; L799-L803 WeakPolarHBondContact O-CB 3.35Å; L799-L803 VanDerWaalsContact O-CG 3.29Å; L799-L803 WeakPolarHBondContact O-CG 3.2Å; L799-L803 PolarHBondContact O-N 2.96Å |
| 800 | Q | 55.8 | Low | 44.1 | Very low | 73 Ų | 73 | 89.2 Ų | 89.2 | 34% | 0.341 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.3 | -43.9 | 179.4 | -167 | 77.3 | -12.8 | 0 | 0 | 111.2 | E796 D797 L802 L803 L804 | E796-Q800 WeakPolarHBondContact O-CB 3.38Å; E796-Q800 PolarHBondContact O-N 3.5Å; D797-Q800 PolarHBondContact O-N 2.75Å; Q800-L802 PolarHBondContact O-N 3.29Å; Q800-L803 PolarHBondContact O-N 3.35Å; Q800-L804 HydrophobicContact CG-CD1 3.86Å; Q800-L804 HydrophobicContact CG-CG 4.4Å; Q800-L804 WeakPolarHBondContact O-CB 3.32Å; Q800-L804 WeakPolarHBondContact O-CG 3.33Å; Q800-L804 PolarHBondContact O-N 3.42Å |
| 801 | N | 46.2 | Very low | 43.1 | Very low | 122 Ų | 122 | 91.4 Ų | 91.4 | 65% | 0.652 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.9 | -18.9 | 172.1 | -73.2 | -60.1 | 0 | 0 | 0 | 112.8 | D797 | D797-N801 WeakPolarHBondContact O-CB 3.24Å; D797-N801 PolarHBondContact O-N 3.11Å; D797-N801 PolarHBondContact O-ND2 3.42Å |
| 802 | L | 47.5 | Very low | 42.1 | Very low | 40 Ų | 40 | 92.7 Ų | 92.7 | 21% | 0.209 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -82.4 | -41.3 | 173.7 | -104 | 159.5 | 0 | 0 | 0 | 113.4 | H112 Q114 I115 S798 L799 Q800 | H112-L802 HydrophobicContact CB-CD2 3.4Å; H112-L802 VanDerWaalsContact CB-CD2 3.4Å; H112-L802 HydrophobicContact CB-CG 4.47Å; H112-L802 VanDerWaalsContact CG-CD2 3.45Å; H112-L802 WeakPolarHBondContact ND1-CD2 3.37Å; H112-L802 WeakPolarHBondContact O-CD2 3.36Å; Q114-L802 HydrophobicContact CB-CD1 4.38Å; I115-L802 HydrophobicContact CB-CD1 4.47Å; I115-L802 HydrophobicContact CD1-CB 3.72Å; I115-L802 HydrophobicContact CD1-CD1 3.88Å; I115-L802 HydrophobicContact CD1-CD2 4.19Å; I115-L802 HydrophobicContact CD1-CG 4.15Å; I115-L802 HydrophobicContact CG1-CD1 3.91Å; S798-L802 VanDerWaalsContact O-CB 3.26Å; S798-L802 WeakPolarHBondContact O-CB 3.01Å; S798-L802 WeakPolarHBondContact O-CD1 3.42Å; S798-L802 PolarHBondContact O-N 2.78Å; S798-L802 VanDerWaalsContact O-N 3.08Å; L799-L802 VanDerWaalsContact O-CB 3.28Å; L799-L802 WeakPolarHBondContact O-CB 3.49Å; L799-L802 PolarHBondContact O-N 3.27Å; Q800-L802 PolarHBondContact O-N 3.29Å |
| 803 | L | 48.9 | Very low | 41 | Very low | 27 Ų | 27 | 94.3 Ų | 94.3 | 14% | 0.141 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -92.4 | -10.1 | -174.2 | -65.9 | 168.5 | 0 | 0 | 0 | 113.2 | I78 E80 I115 L799 Q800 | I78-L803 HydrophobicContact CD1-CD2 4.11Å; E80-L803 VanDerWaalsContact OE1-CD1 3.29Å; E80-L803 WeakPolarHBondContact OE1-CD1 3.3Å; I115-L803 HydrophobicContact CD1-CD1 4.29Å; I115-L803 HydrophobicContact CD1-CD2 4.03Å; I115-L803 HydrophobicContact CD1-CG 3.95Å; L799-L803 HydrophobicContact CD1-CD1 4.48Å; L799-L803 HydrophobicContact CD2-CD1 4.44Å; L799-L803 HydrophobicContact CG-CD1 3.92Å; L799-L803 WeakPolarHBondContact O-CB 3.35Å; L799-L803 VanDerWaalsContact O-CG 3.29Å; L799-L803 WeakPolarHBondContact O-CG 3.2Å; L799-L803 PolarHBondContact O-N 2.96Å; Q800-L803 PolarHBondContact O-N 3.35Å |
| 804 | L | 38 | Very low | 39.8 | Very low | 82 Ų | 82 | 95.4 Ų | 95.4 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -104.8 | 107.4 | 169.8 | -60.8 | -178.9 | 0 | 0 | 0 | 110.4 | Q800 | Q800-L804 HydrophobicContact CG-CD1 3.86Å; Q800-L804 HydrophobicContact CG-CG 4.4Å; Q800-L804 WeakPolarHBondContact O-CB 3.32Å; Q800-L804 WeakPolarHBondContact O-CG 3.33Å; Q800-L804 PolarHBondContact O-N 3.42Å |
| 805 | F | 35.7 | Very low | 38.6 | Very low | 192 Ų | 192 | 96.7 Ų | 96.7 | 84% | 0.842 | 48% | 0.482 | S | S | * | . | trans | -51.6 | 132.1 | 159.6 | -85.7 | -89.3 | 0 | 0 | 0 | 109 | R807 | F805-R807 PolarHBondContact O-N 3.42Š| ||
| 806 | P | 26.1 | Very low | 37.3 | Very low | 125 Ų | 125 | 99.2 Ų | 99.2 | 81% | 0.812 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -65.8 | 100.1 | -162.4 | 22.9 | -34.1 | 0 | 0 | 0 | 113.1 | ||
| 807 | R | 28.9 | Very low | 35.9 | Very low | 235 Ų | 235 | 106.5 Ų | 106.5 | 89% | 0.887 | 55% | 0.547 | S | S | * | . | trans | -128.5 | 84.9 | 167.7 | -77.6 | -169 | 173.4 | -164.3 | -1.3 | 110.6 | F805 | F805-R807 PolarHBondContact O-N 3.42Š| ||
| 808 | I | 27.5 | Very low | 34.7 | Very low | 153 Ų | 153 | 113.3 Ų | 113.3 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | trans | 28.8 | 105.4 | 141.4 | -52.4 | 178.5 | 0 | 0 | 0 | 117 | ||||
| 809 | K | 25.2 | Very low | 33.5 | Very low | 195 Ų | 195 | 121.6 Ų | 121.6 | 85% | 0.848 | 59% | 0.591 | S | S | * | * | trans | 83.6 | 139.9 | 151.2 | -68.4 | 178.1 | 177.6 | -172.7 | 0 | 121.9 | ||||
| 810 | S | 25 | Very low | 32.1 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | trans | 59.4 | 142.1 | 158.1 | 79.9 | 0 | 0 | 0 | 0 | 123 | D1323 | S810-D1323 WeakPolarHBondContact CB-OD2 3.47Å; S810-D1323 PolarHBondContact OG-OD2 3.2Å | ||
| 811 | P | 28.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -129.6 | 130.5 | 167 | 37.9 | -22.5 | 0 | 0 | 0 | 116.3 | ||||
| 812 | V | 27.6 | Very low | 29.7 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | trans | -92 | 120.2 | 168.6 | -165.8 | 0 | 0 | 0 | 0 | 108.4 | I814 D1323 | V812-I814 HydrophobicContact CG1-CD1 4.39Å; V812-D1323 HydrophobicContact CG2-CB 3.52Å | ||
| 813 | R | 27.5 | Very low | 28.5 | Very low | 85 Ų | 85 | 142.3 Ų | 142.3 | 32% | 0.321 | 68% | 0.684 | S | S | . | * | 66.5 | 130 | 71.8 | -82.8 | 174.4 | 165.2 | -163.7 | 8.2 | 115.7 | M1319 D1322 | R813-M1319 PolarHBondContact NE-O 3.34Å; R813-M1319 PolarHBondContact NH2-O 3.15Å; R813-D1322 WeakPolarHBondContact CD-O 3.33Å; R813-D1322 VanDerWaalsContact CZ-O 3.3Å; R813-D1322 PolarHBondContact NE-O 3.43Å; R813-D1322 PolarHBondContact NH1-O 3.15Å | |||
| 814 | I | 28 | Very low | 27.4 | Very low | 95 Ų | 95 | 148 Ų | 148 | 49% | 0.487 | 72% | 0.715 | S | S | . | * | trans | 137.1 | 104.8 | 141.1 | -65.8 | 149.3 | 0 | 0 | 0 | 117.4 | V812 K1321 | V812-I814 HydrophobicContact CG1-CD1 4.39Å; I814-K1321 VanDerWaalsContact CD1-O 3.27Å; I814-K1321 WeakPolarHBondContact CD1-O 3.27Å; I814-K1321 HydrophobicContact CG1-CG 4.36Å | ||
| 815 | R | 26.9 | Very low | 26.8 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 51% | 0.513 | 74% | 0.735 | S | S | . | * | trans | 22.6 | 140.6 | 133 | -47.3 | 171.3 | 175.9 | -174.1 | -0.6 | 122.7 | Q1317 S1320 | R815-Q1317 PolarHBondContact NH2-O 3.5Å; R815-S1320 PolarHBondContact NE-O 2.77Å; R815-S1320 PolarHBondContact NE-OG 2.63Å; R815-S1320 PolarHBondContact NH2-OG 2.88Å | ||
| 816 | G | 27.2 | Very low | 26.3 | Very low | 81 Ų | 81 | 151.4 Ų | 151.4 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | -173.9 | 84.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 817 | K | 28.1 | Very low | 26.2 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -55.6 | 166.2 | 174 | -63.3 | 168.3 | 170.8 | 173.6 | 0 | 114.1 | ||||
| 818 | R | 26.1 | Very low | 26 | Very low | 231 Ų | 231 | 146.8 Ų | 146.8 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | cis | -179.5 | 160.1 | 47.8 | -146.3 | 167.6 | -167.9 | 175.3 | -0.1 | 115.6 | ||||
| 819 | R | 25.8 | Very low | 25.8 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | trans | -36.9 | 160.6 | 172 | -58.7 | 172 | 168.9 | 179.2 | -8.2 | 121.7 | ||||
| 820 | I | 24.7 | Very low | 25.8 | Very low | 173 Ų | 173 | 143 Ų | 143 | 89% | 0.887 | 70% | 0.699 | S | S | * | * | trans | 177.5 | 159.2 | 131.9 | -93.1 | 151.7 | 0 | 0 | 0 | 109.1 | ||||
| 821 | R | 23.8 | Very low | 25.8 | Very low | 228 Ų | 228 | 141.3 Ų | 141.3 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | -155.5 | 166.4 | -51.8 | -158.6 | 179.5 | -170.2 | 178.8 | 2.3 | 108.6 | |||||
| 822 | I | 26.3 | Very low | 25.7 | Very low | 130 Ų | 130 | 138 Ų | 138 | 67% | 0.667 | 66% | 0.662 | S | S | * | * | trans | -75.8 | 158 | -178.4 | -24.2 | 176.2 | 0 | 0 | 0 | 112.4 | ||||
| 823 | D | 23.8 | Very low | 25.5 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | -179.8 | 169.1 | 113.3 | -85.6 | -27.9 | 0 | 0 | 0 | 113.6 | |||||
| 824 | D | 24.6 | Very low | 25.5 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 68% | 0.681 | S | S | * | * | trans | 92.6 | 148 | 161.5 | -91.2 | -25 | 0 | 0 | 0 | 125 | ||||
| 825 | F | 26.5 | Very low | 25.5 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | trans | 72.5 | 78.7 | 175 | -67.5 | -71.6 | 0 | 0 | 0 | 121.8 | ||||
| 826 | N | 24.6 | Very low | 25.4 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -62 | 166.1 | 162.5 | -88 | -66.5 | 0 | 0 | 0 | 116.3 | ||||
| 827 | S | 24 | Very low | 25.4 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | trans | 77.1 | 119.9 | 151.8 | 73.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 828 | F | 24.6 | Very low | 25.4 | Very low | 170 Ų | 170 | 148 Ų | 148 | 75% | 0.746 | 69% | 0.692 | S | S | * | * | -175.4 | 147.2 | 93.6 | -110.2 | -83.6 | 0 | 0 | 0 | 113.1 | K724 | K724-F828 PolarHBondContact NZ-O 2.97Š| |||
| 829 | H | 23.9 | Very low | 25.5 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | trans | -68.9 | 165.5 | -177.6 | -108.3 | -120.5 | 0 | 0 | 0 | 115.1 | ||||
| 830 | F | 23.9 | Very low | 25.7 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 53% | 0.531 | 69% | 0.69 | S | S | . | * | trans | 151.7 | 165.9 | 132 | -88.5 | -73.2 | 0 | 0 | 0 | 114 | K724 | K724-F830 HydrophobicContact CB-CB 3.97Å; K724-F830 VanDerWaalsContact O-CB 3.27Å; K724-F830 WeakPolarHBondContact O-CB 3.47Å | ||
| 831 | S | 26.1 | Very low | 25.9 | Very low | 51 Ų | 51 | 142.9 Ų | 142.9 | 36% | 0.357 | 68% | 0.682 | S | S | . | * | -146.1 | 115.3 | -129.1 | 55.2 | 0 | 0 | 0 | 0 | 118.9 | T725 M833 | T725-S831 VanDerWaalsContact C-C 3.46Å; T725-S831 WeakPolarHBondContact CG2-O 3.18Å; S831-M833 PolarHBondContact O-N 3.15Å | |||
| 832 | K | 25.1 | Very low | 26.6 | Very low | 43 Ų | 43 | 138.1 Ų | 138.1 | 19% | 0.187 | 68% | 0.68 | C | S | . | * | trans | -2.7 | 103.8 | 157.4 | -145.5 | 165.2 | 175.3 | 98.6 | 0 | 116.1 | T725 V726 K727 G728 L756 Q757 | T725-K832 WeakPolarHBondContact O-CA 3.41Å; T725-K832 PolarHBondContact O-N 2.9Å; T725-K832 VanDerWaalsContact O-N 3.15Å; V726-K832 VanDerWaalsContact N-N 3.1Å; K727-K832 VanDerWaalsContact C-NZ 3.31Å; K727-K832 HydrophobicContact CB-CB 4.01Å; K727-K832 HydrophobicContact CB-CD 3.64Å; K727-K832 HydrophobicContact CB-CG 4.42Å; K727-K832 HydrophobicContact CD-CB 3.25Å; K727-K832 HydrophobicContact CD-CD 3.97Å; K727-K832 HydrophobicContact CD-CG 4.3Å; K727-K832 HydrophobicContact CG-CB 3.64Å; K727-K832 HydrophobicContact CG-CD 4.19Å; K727-K832 WeakPolarHBondContact O-CD 3.44Å; K727-K832 WeakPolarHBondContact O-CE 3.48Å; K727-K832 PolarHBondContact O-NZ 2.84Å; G728-K832 PolarHBondContact O-NZ 2.76Å; L756-K832 VanDerWaalsContact C-NZ 3.34Å; L756-K832 WeakPolarHBondContact O-CE 3.38Å; L756-K832 WeakPolarHBondContact O-CG 3.31Å; Q757-K832 PolarHBondContact O-NZ 3.04Å | ||
| 833 | M | 25 | Very low | 27.8 | Very low | 147 Ų | 147 | 136 Ų | 136 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 143.1 | 160.3 | -85.2 | 175.3 | 143.7 | 0 | 0 | 110.8 | T725 S831 | T725-M833 HydrophobicContact CG2-CB 4.11Å; T725-M833 HydrophobicContact CG2-CG 3.73Å; T725-M833 HydrophobicContact CG2-SD 3.9Å; T725-M833 PolarHBondContact O-N 2.81Å; S831-M833 PolarHBondContact O-N 3.15Å |
| 834 | E | 26.3 | Very low | 29.8 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 46% | 0.463 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -76.9 | 143.5 | 171.2 | -58.8 | 174.7 | 146.5 | 0 | 0 | 110.3 | R836 | E834-R836 HydrophobicContact CB-CG 4.5Å; E834-R836 IonicContact OE2-CZ 3.81Å; E834-R836 VanDerWaalsContact OE2-CZ 3.29Å; E834-R836 IonicContact OE2-NE 2.7Å; E834-R836 PolarHBondContact OE2-NE 3.1Å; E834-R836 IonicContact OE2-NH2 2.87Å; E834-R836 PolarHBondContact OE2-NH2 3.42Å |
| 835 | P | 27.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 66% | 0.662 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 127.8 | 161.2 | 31.3 | -30.8 | 0 | 0 | 0 | 109.4 | ||
| 836 | R | 25.9 | Very low | 34.6 | Very low | 174 Ų | 174 | 125.4 Ų | 125.4 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | trans | -130.6 | 155.4 | 170.9 | -64.8 | -169.5 | -176.9 | -160 | 0.3 | 110.5 | E834 | E834-R836 HydrophobicContact CB-CG 4.5Å; E834-R836 IonicContact OE2-CZ 3.81Å; E834-R836 VanDerWaalsContact OE2-CZ 3.29Å; E834-R836 IonicContact OE2-NE 2.7Å; E834-R836 PolarHBondContact OE2-NE 3.1Å; E834-R836 IonicContact OE2-NH2 2.87Å; E834-R836 PolarHBondContact OE2-NH2 3.42Å | ||
| 837 | D | 27.1 | Very low | 37.4 | Very low | 144 Ų | 144 | 119 Ų | 119 | 77% | 0.77 | 58% | 0.582 | S | S | * | * | trans | 55.7 | 67.3 | 155.4 | -47.6 | -25.6 | 0 | 0 | 0 | 116.3 | ||||
| 838 | Y | 27.8 | Very low | 40.3 | Very low | 203 Ų | 203 | 118.1 Ų | 118.1 | 80% | 0.796 | 57% | 0.567 | S | S | * | * | trans | -124.4 | 9 | 159.9 | -96.8 | -78.9 | 0 | 0 | 0 | 114.7 | H840 | Y838-H840 PolarHBondContact O-N 3.01Š| ||
| 839 | D | 27.4 | Very low | 43.3 | Very low | 152 Ų | 152 | 113 Ų | 113 | 81% | 0.813 | 55% | 0.547 | S | S | * | . | trans | -75.8 | 103.8 | 157.7 | -69.8 | -48.8 | 0 | 0 | 0 | 108.4 | ||||
| 840 | H | 30.8 | Very low | 46.3 | Very low | 180 Ų | 180 | 111.8 Ų | 111.8 | 83% | 0.833 | 54% | 0.537 | S | S | * | . | trans | 177.6 | 25.5 | 151.5 | -102.4 | 80.1 | 0 | 0 | 0 | 115.7 | Y838 | Y838-H840 PolarHBondContact O-N 3.01Š| ||
| 841 | Y | 29.3 | Very low | 49.2 | Very low | 182 Ų | 182 | 106.8 Ų | 106.8 | 71% | 0.714 | 52% | 0.515 | S | S | * | . | trans | -135.4 | 124.3 | 166.2 | -79.5 | -81.9 | 0 | 0 | 0 | 112.3 | L843 | Y841-L843 VanDerWaalsContact C-N 3.3Å; Y841-L843 PolarHBondContact O-N 3.2Å | ||
| 842 | P | 38.1 | Very low | 52 | Low | 127 Ų | 127 | 107.1 Ų | 107.1 | 83% | 0.825 | 52% | 0.518 | S | S | * | . | trans | -76.6 | 78.6 | 178.5 | 31.8 | -34.8 | 0 | 0 | 0 | 111.2 | K844 | P842-K844 PolarHBondContact O-N 3.16Š| ||
| 843 | L | 51.7 | Low | 54.5 | Low | 86 Ų | 86 | 106.2 Ų | 106.2 | 45% | 0.45 | 52% | 0.518 | S | S | . | . | trans | -76.7 | 89.9 | 178.3 | -74.7 | 166.6 | 0 | 0 | 0 | 111.2 | R676 F679 Y841 | R676-L843 VanDerWaalsContact NH1-CB 3.33Å; R676-L843 PolarHBondContact NH1-O 3.03Å; R676-L843 VanDerWaalsContact NH1-O 3.13Å; F679-L843 HydrophobicContact CD2-CD2 4.36Å; F679-L843 HydrophobicContact CE2-CD2 4.23Å; Y841-L843 VanDerWaalsContact C-N 3.3Å; Y841-L843 PolarHBondContact O-N 3.2Å | ||
| 844 | K | 65.4 | Low | 56.6 | Low | 147 Ų | 147 | 105.8 Ų | 105.8 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | trans | -48.3 | 146 | 173.2 | -163.6 | -176.2 | -180 | -176.3 | 0 | 111.7 | P842 | P842-K844 PolarHBondContact O-N 3.16Š| ||
| 845 | W | 72.6 | Confident | 58.1 | Low | 39 Ų | 39 | 102.7 Ų | 102.7 | 15% | 0.148 | 51% | 0.508 | C | S | . | . | trans | -76.7 | 146.8 | 171.2 | -64 | 98.1 | 0 | 0 | 0 | 111.3 | W674 R676 L883 V885 | W674-W845 HydrophobicContact CB-CD2 3.89Å; W674-W845 HydrophobicContact CB-CE3 3.76Å; W674-W845 HydrophobicContact CB-CG 4.41Å; W674-W845 HydrophobicContact CB-CZ3 4.12Å; R676-W845 HydrophobicContact CB-CE3 3.73Å; R676-W845 HydrophobicContact CB-CZ3 4.15Å; R676-W845 HydrophobicContact CG-CE3 3.77Å; R676-W845 HydrophobicContact CG-CH2 4.5Å; R676-W845 HydrophobicContact CG-CZ3 3.71Å; W845-L883 HydrophobicContact CH2-CD2 3.99Å; W845-L883 HydrophobicContact CZ3-CD2 4.29Å; W845-V885 HydrophobicContact CH2-CB 4.13Å; W845-V885 HydrophobicContact CH2-CG2 3.52Å; W845-V885 HydrophobicContact CZ2-CG2 4.45Å; W845-V885 HydrophobicContact CZ3-CB 4.46Å; W845-V885 HydrophobicContact CZ3-CG2 4.02Å | ||
| 846 | D | 79.5 | Confident | 59.2 | Low | 72 Ų | 72 | 104.7 Ų | 104.7 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -83.1 | -28 | 175.5 | -65.2 | -32.6 | 0 | 0 | 0 | 111.2 | Y675 R676 R677 | Y675-D846 HydrophobicContact CD2-CB 4.23Å; Y675-D846 HydrophobicContact CE2-CB 4.15Å; Y675-D846 PolarHBondContact O-N 3.4Å; R676-D846 WeakPolarHBondContact CA-OD2 3.35Å; R677-D846 VanDerWaalsContact CG-OD2 3.32Å; R677-D846 WeakPolarHBondContact CG-OD2 3.49Å; R677-D846 PolarHBondContact N-OD2 2.9Å; R677-D846 IonicContact NE-OD1 3.88Å |
| 847 | G | 82.8 | Confident | 60.3 | Low | 17 Ų | 17 | 100.2 Ų | 100.2 | 18% | 0.175 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 167.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | W674 Y675 | W674-G847 WeakPolarHBondContact CA-O 3.32Å; Y675-G847 PolarHBondContact N-O 3.44Å; Y675-G847 PolarHBondContact O-N 2.84Å; Y675-G847 VanDerWaalsContact O-N 3.14Å |
| 848 | H | 86.1 | Confident | 61.1 | Low | 76 Ų | 76 | 97.1 Ų | 97.1 | 35% | 0.352 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 134.3 | 179.3 | 177.8 | -160.6 | 0 | 0 | 0 | 109.5 | H672 L673 W674 | H672-H848 AromaticContact CG-NE2 3.6Å; H672-H848 AromaticContact ND1-CE1 3.35Å; H672-H848 PolarHBondContact ND1-CE1 3.26Å; H672-H848 AromaticContact ND1-NE2 2.99Å; H672-H848 PolarHBondContact ND1-NE2 2.78Å; L673-H848 CarbonylContact O-C 3.57Å; L673-H848 WeakPolarHBondContact O-CA 3.47Å; W674-H848 AromaticContact CD1-CD2 3.58Å; W674-H848 AromaticContact CD1-CG 3.51Å; W674-H848 AromaticContact CE2-CD2 3.54Å; W674-H848 AromaticContact CE2-CE1 3.89Å; W674-H848 AromaticContact CE2-NE2 3.47Å; W674-H848 AromaticContact CZ2-CE1 3.91Å; W674-H848 AromaticContact CZ2-NE2 3.53Å; W674-H848 AromaticContact NE1-CD2 3.2Å; W674-H848 PolarHBondContact NE1-CD2 2.67Å; W674-H848 AromaticContact NE1-CE1 3.53Å; W674-H848 AromaticContact NE1-CG 3.22Å; W674-H848 AromaticContact NE1-ND1 3.42Å; W674-H848 PolarHBondContact NE1-ND1 2.89Å; W674-H848 AromaticContact NE1-NE2 3.42Å; W674-H848 PolarHBondContact NE1-NE2 2.85Å |
| 849 | L | 86.6 | Confident | 61.9 | Low | 62 Ų | 62 | 96.1 Ų | 96.1 | 33% | 0.325 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.3 | 175 | -63.2 | 170.2 | 0 | 0 | 0 | 109.9 | H672 L673 I851 V871 I873 | H672-L849 WeakPolarHBondContact CA-O 3.34Å; L673-L849 HydrophobicContact CB-CB 4.45Å; L673-L849 HydrophobicContact CD2-CD1 4.39Å; L673-L849 PolarHBondContact N-O 2.84Å; L673-L849 PolarHBondContact O-N 3.34Å; L849-I851 HydrophobicContact CB-CG1 4.5Å; L849-V871 HydrophobicContact CD1-CG2 4.32Å; L849-I873 HydrophobicContact CD1-CD1 4.16Å; L849-I873 HydrophobicContact CD1-CG1 4.14Å |
| 850 | R | 86.3 | Confident | 62.2 | Low | 123 Ų | 123 | 96 Ų | 96 | 46% | 0.464 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.3 | 165.9 | -60.3 | -175.4 | -157 | 177.3 | 8.8 | 108.8 | E670 Y671 H672 E910 | E670-R850 WeakPolarHBondContact OE2-CD 3.41Å; Y671-R850 CarbonylContact O-C 3.52Å; Y671-R850 WeakPolarHBondContact O-CA 3.46Å; H672-R850 VanDerWaalsContact CE1-CD 3.48Å; H672-R850 WeakPolarHBondContact CE1-CD 3.33Å; H672-R850 PolarHBondContact CE1-NE 3.1Å; R850-E910 IonicContact CZ-OE1 2.75Å; R850-E910 IonicContact NH1-OE1 3.43Å; R850-E910 IonicContact NH2-OE1 2.78Å; R850-E910 PolarHBondContact NH2-OE1 3.42Å |
| 851 | I | 86 | Confident | 62.4 | Low | 16 Ų | 16 | 95.7 Ų | 95.7 | 8% | 0.082 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 124 | -169 | -55.2 | 177 | 0 | 0 | 0 | 107.3 | W658 E670 Y671 L673 L849 I869 V871 | W658-I851 HydrophobicContact CH2-CD1 3.62Å; W658-I851 HydrophobicContact CZ2-CD1 4.1Å; W658-I851 HydrophobicContact CZ2-CG2 4.5Å; E670-I851 CarbonylContact C-O 3.57Å; E670-I851 VanDerWaalsContact CA-O 3.24Å; E670-I851 WeakPolarHBondContact CA-O 3.49Å; Y671-I851 PolarHBondContact N-O 3.41Å; Y671-I851 PolarHBondContact O-N 3.12Å; L673-I851 HydrophobicContact CD2-CD1 4.49Å; L849-I851 HydrophobicContact CB-CG1 4.5Å; I851-I869 HydrophobicContact CG2-CG2 4.47Å; I851-V871 HydrophobicContact CD1-CB 4.09Å; I851-V871 HydrophobicContact CD1-CG1 3.99Å; I851-V871 HydrophobicContact CD1-CG2 4.34Å |
| 852 | S | 85.2 | Confident | 62.8 | Low | 58 Ų | 58 | 95.8 Ų | 95.8 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.7 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | N854 S855 | S852-N854 PolarHBondContact O-N 3.3Å; S852-N854 VanDerWaalsContact O-N 3.11Å; S852-N854 PolarHBondContact OG-N 3.48Å; S852-S855 PolarHBondContact N-OG 3.03Å; S852-S855 PolarHBondContact O-N 3.5Å; S852-S855 VanDerWaalsContact O-N 3.12Å; S852-S855 PolarHBondContact O-OG 3.38Å |
| 853 | A | 77 | Confident | 62.3 | Low | 24 Ų | 24 | 95.3 Ų | 95.3 | 20% | 0.198 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I668 V669 Y671 | I668-A853 HydrophobicContact CB-CB 4.35Å; I668-A853 HydrophobicContact CG2-CB 4.11Å; I668-A853 WeakPolarHBondContact O-CB 3.22Å; V669-A853 WeakPolarHBondContact O-CB 3.3Å; V669-A853 PolarHBondContact O-N 3.45Å; Y671-A853 HydrophobicContact CE2-CB 4.07Å |
| 854 | N | 70.1 | Confident | 61.4 | Low | 138 Ų | 138 | 97.5 Ų | 97.5 | 74% | 0.738 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.6 | 177.7 | -66.1 | -9.5 | 0 | 0 | 0 | 113.9 | S852 N856 | S852-N854 PolarHBondContact O-N 3.3Å; S852-N854 VanDerWaalsContact O-N 3.11Å; S852-N854 PolarHBondContact OG-N 3.48Å; N854-N856 PolarHBondContact O-N 3.32Å |
| 855 | S | 57.3 | Low | 60.3 | Low | 34 Ų | 34 | 96.3 Ų | 96.3 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | trans | -91 | 95.9 | -176.5 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | S852 T857 | S852-S855 PolarHBondContact N-OG 3.03Å; S852-S855 PolarHBondContact O-N 3.5Å; S852-S855 VanDerWaalsContact O-N 3.12Å; S852-S855 PolarHBondContact O-OG 3.38Å; S855-T857 PolarHBondContact O-N 3.14Å | ||
| 856 | N | 51.3 | Low | 59.2 | Low | 145 Ų | 145 | 102.1 Ų | 102.1 | 78% | 0.775 | 54% | 0.544 | S | S | * | . | trans | -74.3 | 68.9 | 171.9 | -70.3 | -2.6 | 0 | 0 | 0 | 111.6 | N854 | N854-N856 PolarHBondContact O-N 3.32Š| ||
| 857 | T | 47.3 | Very low | 58.3 | Low | 80 Ų | 80 | 104.2 Ų | 104.2 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | trans | -100.7 | 72.3 | -180 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | S855 | S855-T857 PolarHBondContact O-N 3.14Š| ||
| 858 | V | 44.4 | Very low | 57.4 | Low | 79 Ų | 79 | 106.2 Ų | 106.2 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | trans | -115.2 | 98.7 | 167.3 | -179 | 0 | 0 | 0 | 0 | 108.3 | N860 | V858-N860 PolarHBondContact O-N 3.37Š| ||
| 859 | E | 44.2 | Very low | 56.9 | Low | 181 Ų | 181 | 103.5 Ų | 103.5 | 85% | 0.846 | 55% | 0.549 | S | S | * | . | trans | -77.2 | 114.5 | 171.3 | -68.1 | -168.1 | 149.3 | 0 | 0 | 110 | ||||
| 860 | N | 33.2 | Very low | 56.7 | Low | 150 Ų | 150 | 100.6 Ų | 100.6 | 80% | 0.802 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 54 | 69.4 | 158.4 | -59 | -31.1 | 0 | 0 | 0 | 117.9 | V858 | V858-N860 PolarHBondContact O-N 3.37Š|
| 861 | H | 35.5 | Very low | 56.8 | Low | 173 Ų | 173 | 96.1 Ų | 96.1 | 80% | 0.801 | 52% | 0.521 | S | S | * | . | trans | -137.4 | 149.4 | 138.3 | -100 | -77 | 0 | 0 | 0 | 110.4 | S863 | H861-S863 PolarHBondContact O-N 2.98Å; H861-S863 VanDerWaalsContact O-N 3.11Å | ||
| 862 | E | 38 | Very low | 56.9 | Low | 185 Ų | 185 | 97.8 Ų | 97.8 | 86% | 0.864 | 53% | 0.534 | S | S | * | . | trans | -76.3 | 100.5 | -161.8 | -64.3 | 179 | 128.8 | 0 | 0 | 114.2 | ||||
| 863 | S | 28.3 | Very low | 57.1 | Low | 116 Ų | 116 | 95.3 Ų | 95.3 | 81% | 0.811 | 52% | 0.516 | S | S | * | . | trans | 46.6 | 78.6 | 146.6 | 63.1 | 0 | 0 | 0 | 0 | 118.7 | H861 | H861-S863 PolarHBondContact O-N 2.98Å; H861-S863 VanDerWaalsContact O-N 3.11Å | ||
| 864 | I | 32.5 | Very low | 57.7 | Low | 133 Ų | 133 | 98.3 Ų | 98.3 | 68% | 0.682 | 53% | 0.529 | S | S | * | . | trans | -135.8 | 123.1 | 155.1 | -56.1 | -179.1 | 0 | 0 | 0 | 109.5 | I868 | I864-I868 WeakPolarHBondContact O-CD1 3.33Š| ||
| 865 | N | 41.9 | Very low | 58.5 | Low | 121 Ų | 121 | 95 Ų | 95 | 65% | 0.647 | 53% | 0.527 | S | S | * | . | trans | 57.5 | 119.7 | 173 | -65.5 | -14.9 | 0 | 0 | 0 | 118.6 | N867 I868 | N865-N867 PolarHBondContact O-N 3.09Å; N865-I868 HydrophobicContact CB-CD1 4.4Å; N865-I868 HydrophobicContact CB-CG1 4.38Å | ||
| 866 | N | 50.6 | Low | 60 | Low | 161 Ų | 161 | 93.9 Ų | 93.9 | 86% | 0.861 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 4.2 | 177.5 | -66.4 | 4.9 | 0 | 0 | 0 | 116 | ||
| 867 | N | 59 | Low | 61.8 | Low | 116 Ų | 116 | 91 Ų | 91 | 62% | 0.62 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -0.7 | -173 | -68.5 | 19.7 | 0 | 0 | 0 | 113.7 | N659 N865 | N659-N867 PolarHBondContact OD1-O 2.93Å; N865-N867 PolarHBondContact O-N 3.09Å |
| 868 | I | 63.9 | Low | 63.7 | Low | 60 Ų | 60 | 88.6 Ų | 88.6 | 31% | 0.308 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.6 | 179.4 | -54.6 | 178.4 | 0 | 0 | 0 | 109.4 | Y657 I864 N865 | Y657-I868 HydrophobicContact CD2-CG2 4.23Å; I864-I868 WeakPolarHBondContact O-CD1 3.33Å; N865-I868 HydrophobicContact CB-CD1 4.4Å; N865-I868 HydrophobicContact CB-CG1 4.38Å |
| 869 | I | 77.2 | Confident | 65.7 | Low | 18 Ų | 18 | 85.9 Ų | 85.9 | 9% | 0.092 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.7 | 174.1 | -50.8 | 173.7 | 0 | 0 | 0 | 107.9 | Y657 W658 Y671 I851 | Y657-I869 CarbonylContact C-O 3.59Å; Y657-I869 WeakPolarHBondContact CA-O 3.06Å; W658-I869 HydrophobicContact CD2-CB 4.46Å; W658-I869 HydrophobicContact CH2-CG2 4.14Å; W658-I869 HydrophobicContact CZ2-CB 3.95Å; W658-I869 HydrophobicContact CZ2-CG2 3.43Å; W658-I869 VanDerWaalsContact CZ2-CG2 3.43Å; W658-I869 PolarHBondContact N-O 3.5Å; W658-I869 PolarHBondContact O-N 3.28Å; Y671-I869 HydrophobicContact CD2-CD1 4.26Å; Y671-I869 HydrophobicContact CE2-CD1 3.43Å; Y671-I869 VanDerWaalsContact CE2-CD1 3.43Å; I851-I869 HydrophobicContact CG2-CG2 4.47Å |
| 870 | G | 81.6 | Confident | 67.6 | Low | 2 Ų | 2 | 78.6 Ų | 78.6 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | L656 | L656-G870 CarbonylContact O-C 3.56Å; L656-G870 WeakPolarHBondContact O-CA 3.48Å |
| 871 | V | 87.8 | Confident | 70.1 | Confident | 28 Ų | 28 | 74 Ų | 74 | 17% | 0.17 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 148.7 | -178.7 | 70 | 0 | 0 | 0 | 0 | 111.4 | L656 W658 L673 L849 I851 | L656-V871 HydrophobicContact CB-CG1 4.34Å; L656-V871 PolarHBondContact N-O 3.48Å; L656-V871 PolarHBondContact O-N 2.96Å; W658-V871 HydrophobicContact CH2-CG1 4.14Å; W658-V871 HydrophobicContact CZ3-CG1 4.09Å; L673-V871 HydrophobicContact CD2-CG1 3.56Å; L849-V871 HydrophobicContact CD1-CG2 4.32Å; I851-V871 HydrophobicContact CD1-CB 4.09Å; I851-V871 HydrophobicContact CD1-CG1 3.99Å; I851-V871 HydrophobicContact CD1-CG2 4.34Å |
| 872 | S | 88.3 | Confident | 72.6 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 36% | 0.357 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 144.2 | 170.4 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | Q655 D874 | Q655-S872 VanDerWaalsContact OE1-CB 3.26Å; S872-D874 PolarHBondContact OG-OD1 3.36Å |
| 873 | I | 89.2 | Confident | 74.9 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.4 | 173.8 | -63.1 | -179.9 | 0 | 0 | 0 | 109.4 | K653 M654 L656 L673 Y675 L849 L876 F884 | K653-I873 WeakPolarHBondContact CA-O 3.08Å; M654-I873 PolarHBondContact N-O 3.22Å; M654-I873 PolarHBondContact O-N 3.13Å; L656-I873 HydrophobicContact CD1-CB 4.41Å; L656-I873 HydrophobicContact CD1-CD1 3.74Å; L656-I873 HydrophobicContact CD1-CG1 3.94Å; L673-I873 HydrophobicContact CD2-CD1 4.01Å; Y675-I873 HydrophobicContact CD1-CD1 3.79Å; Y675-I873 HydrophobicContact CE1-CD1 4.08Å; Y675-I873 HydrophobicContact CE1-CG2 4.17Å; Y675-I873 HydrophobicContact CE2-CG2 4.2Å; Y675-I873 HydrophobicContact CG-CD1 4.33Å; L849-I873 HydrophobicContact CD1-CD1 4.16Å; L849-I873 HydrophobicContact CD1-CG1 4.14Å; I873-L876 HydrophobicContact CG2-CD2 3.96Å; I873-L876 HydrophobicContact CG2-CG 4.37Å; I873-F884 HydrophobicContact CD1-CD1 4.07Å; I873-F884 HydrophobicContact CD1-CE1 3.85Å |
| 874 | D | 90.1 | Very high | 77.8 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 162.6 | -177.2 | -76.6 | 16.1 | 0 | 0 | 0 | 111.9 | K653 S872 | K653-D874 WeakPolarHBondContact CE-OD2 3.44Å; K653-D874 WeakPolarHBondContact CG-OD1 3.26Å; K653-D874 IonicContact NZ-OD1 3.49Å; K653-D874 PolarHBondContact NZ-OD1 2.67Å; K653-D874 IonicContact NZ-OD2 2.63Å; K653-D874 PolarHBondContact NZ-OD2 3.49Å; S872-D874 PolarHBondContact OG-OD1 3.36Å |
| 875 | G | 87.4 | Confident | 80.3 | Confident | 69 Ų | 69 | 46.6 Ų | 46.6 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | trans | 83.1 | 20.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N652 | N652-G875 PolarHBondContact O-N 2.98Š| ||
| 876 | L | 89.3 | Confident | 82.6 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 153.8 | 178.8 | -56.1 | 179.2 | 0 | 0 | 0 | 111.5 | N652 M654 Y675 I873 Y882 F884 T932 | N652-L876 WeakPolarHBondContact CA-O 3.29Å; N652-L876 VanDerWaalsContact CB-O 3.28Å; N652-L876 WeakPolarHBondContact CB-O 3.03Å; N652-L876 PolarHBondContact O-N 3.4Å; M654-L876 HydrophobicContact CB-CD1 3.56Å; M654-L876 HydrophobicContact CE-CD1 4.03Å; Y675-L876 HydrophobicContact CD2-CD2 4.39Å; Y675-L876 HydrophobicContact CE2-CD2 4.23Å; I873-L876 HydrophobicContact CG2-CD2 3.96Å; I873-L876 HydrophobicContact CG2-CG 4.37Å; L876-Y882 HydrophobicContact CB-CD2 4.49Å; L876-Y882 HydrophobicContact CB-CE2 3.8Å; L876-Y882 HydrophobicContact CD1-CD2 4.44Å; L876-Y882 HydrophobicContact CD2-CD1 4.08Å; L876-Y882 HydrophobicContact CD2-CD2 4.4Å; L876-Y882 HydrophobicContact CD2-CE1 3.71Å; L876-Y882 HydrophobicContact CD2-CE2 4.04Å; L876-Y882 HydrophobicContact CD2-CG 4.42Å; L876-Y882 HydrophobicContact CG-CE2 4.33Å; L876-F884 HydrophobicContact CD1-CZ 4.4Å; L876-T932 HydrophobicContact CB-CG2 3.77Å; L876-T932 HydrophobicContact CD1-CG2 3.89Å |
| 877 | H | 87.2 | Confident | 84.3 | Confident | 83 Ų | 83 | 33.4 Ų | 33.4 | 38% | 0.384 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -72.2 | 149.1 | 171.7 | -73.7 | -80.9 | 0 | 0 | 0 | 111.2 | S651 T880 Y882 T932 | S651-H877 CarbonylContact O-C 3.5Å; H877-T880 HydrophobicContact CB-CG2 4.16Å; H877-T880 VanDerWaalsContact CB-OG1 3.28Å; H877-T880 WeakPolarHBondContact CB-OG1 3.3Å; H877-T880 WeakPolarHBondContact O-CB 3.31Å; H877-Y882 PolarHBondContact N-OH 3.23Å; H877-T932 WeakPolarHBondContact O-CB 3.29Å; H877-T932 PolarHBondContact O-OG1 3.48Å |
| 878 | H | 87.7 | Confident | 85.7 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 149.7 | 176.3 | 61.5 | 92 | 0 | 0 | 0 | 112.7 | S651 T880 Q1018 N1020 | S651-H878 WeakPolarHBondContact O-CA 3.23Å; S651-H878 PolarHBondContact O-N 2.94Å; H878-T880 PolarHBondContact O-N 3.13Å; H878-T880 PolarHBondContact O-OG1 2.95Å; H878-Q1018 PolarHBondContact CE1-O 3.22Å; H878-Q1018 VanDerWaalsContact CE1-O 3.28Å; H878-N1020 PolarHBondContact ND1-OD1 2.83Å |
| 879 | Y | 86.4 | Confident | 86.9 | Confident | 21 Ų | 21 | 25 Ų | 25 | 8% | 0.082 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.1 | 30.3 | -175.5 | -148.1 | -111.8 | 0 | 0 | 0 | 115.1 | R931 T932 D933 A934 N1020 L1102 A1103 | Y879-R931 PolarHBondContact OH-NH1 3.01Å; Y879-T932 WeakPolarHBondContact CA-O 3.44Å; Y879-T932 PolarHBondContact N-OG1 2.98Å; Y879-D933 PolarHBondContact N-O 2.84Å; Y879-A934 HydrophobicContact CD2-CB 3.75Å; Y879-A934 HydrophobicContact CE2-CB 4.38Å; Y879-A934 HydrophobicContact CG-CB 4.35Å; Y879-N1020 HydrophobicContact CD1-CB 4.13Å; Y879-N1020 HydrophobicContact CG-CB 4.03Å; Y879-L1102 HydrophobicContact CD1-CB 4.23Å; Y879-L1102 VanDerWaalsContact CE1-C 3.47Å; Y879-L1102 HydrophobicContact CE1-CB 3.86Å; Y879-L1102 WeakPolarHBondContact CE1-O 3.05Å; Y879-L1102 PolarHBondContact OH-O 3.44Å; Y879-A1103 HydrophobicContact CD1-CB 4.07Å; Y879-A1103 HydrophobicContact CD2-CB 4.22Å; Y879-A1103 HydrophobicContact CE1-CB 3.95Å; Y879-A1103 HydrophobicContact CE2-CB 4.08Å; Y879-A1103 HydrophobicContact CG-CB 4.2Å |
| 880 | T | 84.5 | Confident | 87.4 | Confident | 29 Ų | 29 | 24.2 Ų | 24.2 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | trans | -110.1 | 134.6 | -171.6 | -64.2 | 0 | 0 | 0 | 0 | 109.3 | R677 H877 H878 Y882 R931 T932 | R677-T880 HydrophobicContact CB-CG2 3.93Å; H877-T880 HydrophobicContact CB-CG2 4.16Å; H877-T880 VanDerWaalsContact CB-OG1 3.28Å; H877-T880 WeakPolarHBondContact CB-OG1 3.3Å; H877-T880 WeakPolarHBondContact O-CB 3.31Å; H878-T880 PolarHBondContact O-N 3.13Å; H878-T880 PolarHBondContact O-OG1 2.95Å; T880-Y882 HydrophobicContact CG2-CD2 4.1Å; T880-Y882 HydrophobicContact CG2-CE2 3.58Å; T880-Y882 WeakPolarHBondContact O-CD2 3.44Å; T880-R931 WeakPolarHBondContact O-CA 3.27Å; T880-R931 WeakPolarHBondContact O-CG 3.16Å; T880-T932 PolarHBondContact N-OG1 3.45Å; T880-T932 PolarHBondContact O-N 3.09Å; T880-T932 VanDerWaalsContact O-N 3.12Å; T880-T932 PolarHBondContact O-OG1 2.55Å | ||
| 881 | E | 84.8 | Confident | 87.6 | Confident | 53 Ų | 53 | 27.5 Ų | 27.5 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 127.9 | -177.2 | -159.8 | 168.9 | 135.4 | 0 | 0 | 110 | R677 L678 R931 | R677-E881 CarbonylContact C-O 3.51Å; R677-E881 WeakPolarHBondContact CA-O 3.04Å; L678-E881 HydrophobicContact CB-CB 4.46Å; L678-E881 HydrophobicContact CD1-CG 4.39Å; L678-E881 PolarHBondContact N-O 3.05Å; E881-R931 HydrophobicContact CB-CB 4.45Å; E881-R931 HydrophobicContact CB-CG 4.29Å; E881-R931 HydrophobicContact CG-CB 4.37Å; E881-R931 IonicContact OE2-CZ 3.19Å; E881-R931 IonicContact OE2-NE 2.78Å; E881-R931 PolarHBondContact OE2-NE 3.11Å; E881-R931 IonicContact OE2-NH2 2.78Å; E881-R931 PolarHBondContact OE2-NH2 3.07Å |
| 882 | Y | 88.3 | Confident | 87.4 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.8 | -177.5 | -78.4 | -93.9 | 0 | 0 | 0 | 110.8 | Y675 R676 R677 L876 H877 T880 F884 Q929 Q930 T932 | Y675-Y882 HydrophobicContact CD2-CD1 4.4Å; R676-Y882 VanDerWaalsContact C-CD1 3.46Å; R676-Y882 CarbonylContact O-C 3.56Å; R676-Y882 WeakPolarHBondContact O-CA 3.43Å; R677-Y882 HydrophobicContact CB-CD1 4.17Å; R677-Y882 HydrophobicContact CB-CE1 3.79Å; L876-Y882 HydrophobicContact CB-CD2 4.49Å; L876-Y882 HydrophobicContact CB-CE2 3.8Å; L876-Y882 HydrophobicContact CD1-CD2 4.44Å; L876-Y882 HydrophobicContact CD2-CD1 4.08Å; L876-Y882 HydrophobicContact CD2-CD2 4.4Å; L876-Y882 HydrophobicContact CD2-CE1 3.71Å; L876-Y882 HydrophobicContact CD2-CE2 4.04Å; L876-Y882 HydrophobicContact CD2-CG 4.42Å; L876-Y882 HydrophobicContact CG-CE2 4.33Å; H877-Y882 PolarHBondContact N-OH 3.23Å; T880-Y882 HydrophobicContact CG2-CD2 4.1Å; T880-Y882 HydrophobicContact CG2-CE2 3.58Å; T880-Y882 WeakPolarHBondContact O-CD2 3.44Å; Y882-F884 HydrophobicContact CG-CZ 4.26Å; Y882-Q929 WeakPolarHBondContact O-CA 3.32Å; Y882-Q930 PolarHBondContact N-O 2.91Å; Y882-Q930 PolarHBondContact O-N 3.11Å; Y882-T932 HydrophobicContact CD2-CG2 4.47Å; Y882-T932 HydrophobicContact CE2-CG2 4.49Å |
| 883 | L | 86.3 | Confident | 87.1 | Confident | 22 Ų | 22 | 26.1 Ų | 26.1 | 12% | 0.115 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.7 | 171.3 | -179.1 | 74.1 | 0 | 0 | 0 | 108.7 | Y675 R676 L678 W845 V885 I927 Q929 | Y675-L883 VanDerWaalsContact CA-O 3.29Å; Y675-L883 WeakPolarHBondContact CA-O 3.4Å; R676-L883 HydrophobicContact CG-CB 4.2Å; R676-L883 HydrophobicContact CG-CD2 4.45Å; R676-L883 PolarHBondContact N-O 3.18Å; R676-L883 PolarHBondContact O-N 2.98Å; L678-L883 HydrophobicContact CD1-CB 4.13Å; L678-L883 HydrophobicContact CD2-CB 3.94Å; L678-L883 HydrophobicContact CD2-CD2 4.45Å; L678-L883 HydrophobicContact CG-CB 4.06Å; W845-L883 HydrophobicContact CH2-CD2 3.99Å; W845-L883 HydrophobicContact CZ3-CD2 4.29Å; L883-V885 HydrophobicContact CD2-CG2 4.48Å; L883-V885 HydrophobicContact CG-CG2 4.25Å; L883-I927 HydrophobicContact CD1-CG2 3.48Å; L883-I927 VanDerWaalsContact CD1-CG2 3.48Å; L883-I927 HydrophobicContact CG-CG2 4.4Å; L883-Q929 HydrophobicContact CD1-CG 3.58Å |
| 884 | F | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.5 | 174.8 | -56 | -95.6 | 0 | 0 | 0 | 109.9 | F644 M654 L656 L673 W674 Y675 I873 L876 Y882 I927 I928 Q930 | F644-F884 HydrophobicContact CE1-CB 4.38Å; F644-F884 HydrophobicContact CZ-CB 4.01Å; M654-F884 HydrophobicContact CB-CZ 4.32Å; M654-F884 HydrophobicContact CE-CE2 3.87Å; M654-F884 HydrophobicContact CE-CZ 3.89Å; M654-F884 HydrophobicContact CG-CE2 4.25Å; M654-F884 HydrophobicContact CG-CZ 3.91Å; L656-F884 HydrophobicContact CD1-CD1 4.29Å; L656-F884 HydrophobicContact CD1-CE1 4.25Å; L656-F884 HydrophobicContact CD2-CB 3.82Å; L656-F884 HydrophobicContact CD2-CD1 3.61Å; L656-F884 HydrophobicContact CD2-CD2 4.38Å; L656-F884 HydrophobicContact CD2-CE1 4.3Å; L656-F884 HydrophobicContact CD2-CG 3.68Å; L673-F884 HydrophobicContact CD1-CB 4.34Å; W674-F884 CarbonylContact O-C 3.5Å; W674-F884 WeakPolarHBondContact O-CA 3.47Å; Y675-F884 VanDerWaalsContact CB-CD1 3.42Å; Y675-F884 HydrophobicContact CG-CD1 4.33Å; Y675-F884 HydrophobicContact CG-CE1 4.17Å; I873-F884 HydrophobicContact CD1-CD1 4.07Å; I873-F884 HydrophobicContact CD1-CE1 3.85Å; L876-F884 HydrophobicContact CD1-CZ 4.4Å; Y882-F884 HydrophobicContact CG-CZ 4.26Å; F884-I927 WeakPolarHBondContact O-CA 3.3Å; F884-I928 HydrophobicContact CB-CG2 3.96Å; F884-I928 HydrophobicContact CD2-CG2 4.39Å; F884-I928 PolarHBondContact N-O 3.27Å; F884-I928 PolarHBondContact O-N 3.23Å; F884-Q930 HydrophobicContact CE2-CB 4.47Å |
| 885 | V | 86 | Confident | 85.8 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 122.9 | -172.4 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | L673 W674 W845 L883 R925 S926 I927 | L673-V885 CarbonylContact C-O 3.53Å; L673-V885 WeakPolarHBondContact CA-O 3.16Å; W674-V885 HydrophobicContact CB-CB 4.47Å; W674-V885 HydrophobicContact CE3-CG1 4.14Å; W674-V885 PolarHBondContact N-O 3.44Å; W674-V885 PolarHBondContact O-N 3.46Å; W845-V885 HydrophobicContact CH2-CB 4.13Å; W845-V885 HydrophobicContact CH2-CG2 3.52Å; W845-V885 HydrophobicContact CZ2-CG2 4.45Å; W845-V885 HydrophobicContact CZ3-CB 4.46Å; W845-V885 HydrophobicContact CZ3-CG2 4.02Å; L883-V885 HydrophobicContact CD2-CG2 4.48Å; L883-V885 HydrophobicContact CG-CG2 4.25Å; V885-R925 HydrophobicContact CG1-CB 3.83Å; V885-R925 HydrophobicContact CG1-CG 3.63Å; V885-S926 CarbonylContact C-O 3.58Å; V885-S926 WeakPolarHBondContact CA-O 3.36Å; V885-I927 HydrophobicContact CG2-CD1 4.45Å; V885-I927 HydrophobicContact CG2-CG1 4.11Å; V885-I927 HydrophobicContact CG2-CG2 4.2Å |
| 886 | I | 88.1 | Confident | 85 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141 | -179.9 | -165.9 | 172.5 | 0 | 0 | 0 | 112.7 | P641 F644 W658 Y671 H672 L673 R925 S926 | P641-I886 HydrophobicContact CB-CG2 4.39Å; P641-I886 HydrophobicContact CG-CG1 4.41Å; P641-I886 HydrophobicContact CG-CG2 4.14Å; F644-I886 HydrophobicContact CB-CG2 4.43Å; F644-I886 HydrophobicContact CD1-CG2 3.59Å; F644-I886 HydrophobicContact CD2-CG2 3.86Å; F644-I886 HydrophobicContact CE1-CB 4.23Å; F644-I886 HydrophobicContact CE1-CG2 3.61Å; F644-I886 HydrophobicContact CE2-CB 4.3Å; F644-I886 HydrophobicContact CE2-CG2 3.88Å; F644-I886 HydrophobicContact CG-CG2 3.71Å; F644-I886 HydrophobicContact CZ-CB 4.04Å; F644-I886 HydrophobicContact CZ-CG2 3.76Å; W658-I886 HydrophobicContact CD2-CD1 3.37Å; W658-I886 HydrophobicContact CE3-CD1 3.66Å; W658-I886 HydrophobicContact CG-CD1 3.95Å; W658-I886 HydrophobicContact CH2-CD1 3.95Å; W658-I886 HydrophobicContact CZ2-CD1 3.62Å; W658-I886 HydrophobicContact CZ3-CD1 3.95Å; Y671-I886 HydrophobicContact CD1-CD1 4.26Å; H672-I886 CarbonylContact O-C 3.59Å; H672-I886 VanDerWaalsContact O-CA 3.28Å; H672-I886 WeakPolarHBondContact O-CA 2.95Å; H672-I886 WeakPolarHBondContact O-CG1 3.05Å; L673-I886 HydrophobicContact CB-CG1 4.46Å; L673-I886 HydrophobicContact CD1-CB 4.15Å; I886-R925 WeakPolarHBondContact O-CA 3.42Å; I886-S926 PolarHBondContact N-O 2.81Å; I886-S926 PolarHBondContact O-N 3.26Å |
| 887 | S | 86.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.9 | 168.6 | -77.1 | 0 | 0 | 0 | 0 | 110.7 | Y671 H672 S923 | Y671-S887 CarbonylContact C-O 3.58Å; Y671-S887 VanDerWaalsContact CA-O 3.26Å; Y671-S887 WeakPolarHBondContact CA-O 3.43Å; H672-S887 PolarHBondContact N-O 3.1Å; H672-S887 PolarHBondContact O-N 2.98Å; S887-S923 VanDerWaalsContact CA-OG 3.22Å; S887-S923 WeakPolarHBondContact CA-OG 3.07Å; S887-S923 WeakPolarHBondContact CB-OG 3.48Å; S887-S923 PolarHBondContact OG-O 3.47Å |
| 888 | A | 89.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 146.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P638 P641 P661 I668 Y671 C922 S923 | P638-A888 WeakPolarHBondContact CG-O 3.39Å; P641-A888 HydrophobicContact CG-CB 4.18Å; P661-A888 HydrophobicContact CG-CB 3.74Å; I668-A888 HydrophobicContact CD1-CB 4.2Å; I668-A888 HydrophobicContact CG2-CB 4.02Å; Y671-A888 HydrophobicContact CD1-CB 3.74Å; Y671-A888 HydrophobicContact CE1-CB 3.6Å; A888-C922 CarbonylContact O-C 3.37Å; A888-C922 WeakPolarHBondContact O-CA 3.16Å; A888-S923 PolarHBondContact N-OG 3.44Å; A888-S923 PolarHBondContact O-N 3.31Å |
| 889 | C | 88.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.9 | -175 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | V669 E670 W921 C922 | V669-C889 PolarHBondContact N-O 2.93Å; E670-C889 HydrophobicContact CG-CB 4.1Å; E670-C889 PolarHBondContact N-O 2.81Å; E670-C889 PolarHBondContact O-N 3.09Å; C889-W921 CarbonylContact C-O 3.55Å; C889-W921 WeakPolarHBondContact CA-O 3.02Å; C889-C922 HydrophobicContact CB-CB 4.13Å; C889-C922 WeakPolarHBondContact CB-SG 3.41Å; C889-C922 WeakPolarHBondContact SG-CB 3.28Å; C889-C922 CovalentContact SG-SG 2.04Å; C889-C922 PolarHBondContact SG-SG 2.64Å |
| 890 | H | 88.5 | Confident | 83.2 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | trans | -85.4 | -178.3 | 165.6 | -59.2 | 157.4 | 0 | 0 | 0 | 111.6 | D636 P664 G666 Q667 H893 W921 | D636-H890 PolarHBondContact O-CE1 3.11Å; P664-H890 PolarHBondContact O-CE1 3.01Å; P664-H890 PolarHBondContact O-NE2 2.73Å; G666-H890 WeakPolarHBondContact CA-NE2 3.04Å; Q667-H890 PolarHBondContact O-CD2 2.96Å; H890-H893 AromaticContact ND1-NE2 3.68Å; H890-W921 HydrophobicContact CB-CB 4.35Å; H890-W921 PolarHBondContact N-O 2.97Å; H890-W921 VanDerWaalsContact O-CD1 3.29Å | ||
| 891 | S | 85.3 | Confident | 82.4 | Confident | 70 Ų | 70 | 39.3 Ų | 39.3 | 49% | 0.49 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -58.7 | 143.5 | 159.1 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | H893 | S891-H893 PolarHBondContact O-CD2 3.33Å; S891-H893 PolarHBondContact O-N 2.86Å |
| 892 | P | 84.1 | Confident | 81.3 | Confident | 43 Ų | 43 | 40.8 Ų | 40.8 | 28% | 0.279 | 24% | 0.241 | S | C | . | . | trans | -57.5 | 120.5 | -178.4 | -28.8 | 36.9 | 0 | 0 | 0 | 114.4 | L900 L905 W921 | P892-L900 HydrophobicContact CB-CB 4.28Å; P892-L900 HydrophobicContact CB-CD1 4.34Å; P892-L900 PolarHBondContact O-N 2.68Å; P892-L905 HydrophobicContact CB-CD1 4.16Å; P892-L905 HydrophobicContact CB-CD2 3.92Å; P892-L905 HydrophobicContact CB-CG 4.33Å; P892-L905 HydrophobicContact CG-CD1 4.08Å; P892-L905 HydrophobicContact CG-CD2 3.92Å; P892-W921 HydrophobicContact CB-CD2 4.02Å; P892-W921 HydrophobicContact CB-CE3 4.28Å; P892-W921 HydrophobicContact CB-CH2 4.27Å; P892-W921 HydrophobicContact CB-CZ2 3.98Å; P892-W921 HydrophobicContact CB-CZ3 4.41Å; P892-W921 HydrophobicContact CG-CD2 4.48Å; P892-W921 HydrophobicContact CG-CZ2 4.09Å | ||
| 893 | H | 81.8 | Confident | 79.9 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -133.4 | 161.4 | 174.9 | 65.6 | 72.3 | 0 | 0 | 0 | 110.7 | H890 S891 E898 L900 P920 W921 | H890-H893 AromaticContact ND1-NE2 3.68Å; S891-H893 PolarHBondContact O-CD2 3.33Å; S891-H893 PolarHBondContact O-N 2.86Å; H893-E898 CarbonylContact C-O 3.53Å; H893-E898 WeakPolarHBondContact CA-O 3.24Å; H893-E898 WeakPolarHBondContact CB-O 3.47Å; H893-L900 WeakPolarHBondContact O-CD1 3.3Å; H893-P920 WeakPolarHBondContact O-CG 3.35Å; H893-W921 WeakPolarHBondContact NE2-CA 3.38Å; H893-W921 WeakPolarHBondContact NE2-CB 3.36Å; H893-W921 VanDerWaalsContact O-CE3 3.27Å |
| 894 | D | 78.8 | Confident | 78.4 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | trans | -80.1 | -174 | 178 | 87.6 | -27.4 | 0 | 0 | 0 | 112.4 | N896 G897 E898 L900 | D894-N896 PolarHBondContact O-N 2.86Å; D894-N896 VanDerWaalsContact OD1-CA 3.28Å; D894-N896 WeakPolarHBondContact OD1-CA 3.48Å; D894-N896 WeakPolarHBondContact OD1-CB 3.36Å; D894-N896 PolarHBondContact OD1-N 2.82Å; D894-N896 PolarHBondContact OD2-ND2 3.03Å; D894-G897 PolarHBondContact O-N 2.86Å; D894-G897 PolarHBondContact OD1-N 3.45Å; D894-E898 PolarHBondContact N-O 2.56Å; D894-E898 PolarHBondContact OD1-N 3.19Å; D894-L900 HydrophobicContact CB-CD2 4.02Å; D894-L900 HydrophobicContact CB-CG 4.43Å | ||
| 895 | I | 73.5 | Confident | 76.7 | Confident | 134 Ų | 134 | 50.4 Ų | 50.4 | 69% | 0.687 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -7.9 | 176.8 | 64.1 | 172.4 | 0 | 0 | 0 | 114.2 | Q520 P920 | Q520-I895 PolarHBondContact NE2-O 2.87Å; I895-P920 HydrophobicContact CG2-CB 4.12Å; I895-P920 HydrophobicContact CG2-CG 4.3Å |
| 896 | N | 71.4 | Confident | 75.1 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 0 | 177.9 | -53.9 | -71.8 | 0 | 0 | 0 | 112.4 | Q520 K634 D894 | Q520-N896 VanDerWaalsContact CD-C 3.49Å; Q520-N896 PolarHBondContact OE1-O 3.26Å; K634-N896 VanDerWaalsContact CD-O 3.23Å; K634-N896 WeakPolarHBondContact CD-O 3.24Å; D894-N896 PolarHBondContact O-N 2.86Å; D894-N896 VanDerWaalsContact OD1-CA 3.28Å; D894-N896 WeakPolarHBondContact OD1-CA 3.48Å; D894-N896 WeakPolarHBondContact OD1-CB 3.36Å; D894-N896 PolarHBondContact OD1-N 2.82Å; D894-N896 PolarHBondContact OD2-ND2 3.03Å |
| 897 | G | 72.8 | Confident | 73 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 77.9 | 16.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D894 | D894-G897 PolarHBondContact O-N 2.86Å; D894-G897 PolarHBondContact OD1-N 3.45Å |
| 898 | E | 80.4 | Confident | 71.3 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 43% | 0.425 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 135.5 | 172.4 | -64 | -67.8 | 178.6 | 0 | 0 | 110.7 | K634 H893 D894 L900 | K634-E898 WeakPolarHBondContact CE-OE1 3.44Å; K634-E898 IonicContact NZ-OE1 3.65Å; K634-E898 PolarHBondContact NZ-OE1 2.87Å; H893-E898 CarbonylContact C-O 3.53Å; H893-E898 WeakPolarHBondContact CA-O 3.24Å; H893-E898 WeakPolarHBondContact CB-O 3.47Å; D894-E898 PolarHBondContact N-O 2.56Å; D894-E898 PolarHBondContact OD1-N 3.19Å; E898-L900 PolarHBondContact O-N 3.41Å |
| 899 | P | 81.4 | Confident | 69.3 | Low | 103 Ų | 103 | 73.2 Ų | 73.2 | 67% | 0.669 | 41% | 0.406 | S | S | * | . | B | Isolated β-bridge | trans | -64.9 | 133.3 | -179 | 26.9 | -34.2 | 0 | 0 | 0 | 111.9 | ||
| 900 | L | 76.8 | Confident | 67.2 | Low | 42 Ų | 42 | 79.8 Ų | 79.8 | 22% | 0.22 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 118.4 | -179.7 | -72.3 | 169.8 | 0 | 0 | 0 | 111.2 | P892 H893 D894 E898 N904 W921 | P892-L900 HydrophobicContact CB-CB 4.28Å; P892-L900 HydrophobicContact CB-CD1 4.34Å; P892-L900 PolarHBondContact O-N 2.68Å; H893-L900 WeakPolarHBondContact O-CD1 3.3Å; D894-L900 HydrophobicContact CB-CD2 4.02Å; D894-L900 HydrophobicContact CB-CG 4.43Å; E898-L900 PolarHBondContact O-N 3.41Å; L900-N904 HydrophobicContact CD2-CB 4.22Å; L900-W921 HydrophobicContact CD1-CE3 4.15Å; L900-W921 HydrophobicContact CD1-CH2 4.3Å; L900-W921 HydrophobicContact CD1-CZ3 3.61Å |
| 901 | N | 69.1 | Low | 65.2 | Low | 123 Ų | 123 | 85.5 Ų | 85.5 | 66% | 0.658 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 145.3 | 168.1 | -80.9 | -20.6 | 0 | 0 | 0 | 111.2 | S903 N904 | N901-S903 PolarHBondContact O-N 3.4Å; N901-N904 PolarHBondContact O-N 3.3Å |
| 902 | A | 61 | Low | 63.3 | Low | 85 Ų | 85 | 86.9 Ų | 86.9 | 70% | 0.702 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -26.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N904 | A902-N904 VanDerWaalsContact C-N 3.29Å; A902-N904 PolarHBondContact O-N 2.04Å |
| 903 | S | 57.9 | Low | 61.5 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -37.6 | 172.6 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | N901 T906 | N901-S903 PolarHBondContact O-N 3.4Å; S903-T906 WeakPolarHBondContact O-CG2 3.25Å; S903-T906 PolarHBondContact O-OG1 3.2Å |
| 904 | N | 54.7 | Low | 59.8 | Low | 92 Ų | 92 | 95.9 Ų | 95.9 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -84.5 | -20.7 | -168.1 | -62.9 | 13.6 | 0 | 0 | 0 | 112.4 | L900 N901 A902 T906 Y907 | L900-N904 HydrophobicContact CD2-CB 4.22Å; N901-N904 PolarHBondContact O-N 3.3Å; A902-N904 VanDerWaalsContact C-N 3.29Å; A902-N904 PolarHBondContact O-N 2.04Å; N904-T906 PolarHBondContact O-N 3.37Å; N904-Y907 PolarHBondContact O-N 2.58Å |
| 905 | L | 55.9 | Low | 58.2 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 33% | 0.33 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -62.4 | -21.9 | 175.6 | -86.6 | 154.7 | 0 | 0 | 0 | 113.1 | P892 Y907 F908 W921 | P892-L905 HydrophobicContact CB-CD1 4.16Å; P892-L905 HydrophobicContact CB-CD2 3.92Å; P892-L905 HydrophobicContact CB-CG 4.33Å; P892-L905 HydrophobicContact CG-CD1 4.08Å; P892-L905 HydrophobicContact CG-CD2 3.92Å; L905-Y907 PolarHBondContact O-N 2.92Å; L905-Y907 VanDerWaalsContact O-N 3.07Å; L905-F908 PolarHBondContact O-N 2.04Å; L905-W921 HydrophobicContact CD2-CH2 3.87Å; L905-W921 HydrophobicContact CD2-CZ2 3.86Å |
| 906 | T | 50.7 | Low | 57 | Low | 108 Ų | 108 | 90.7 Ų | 90.7 | 66% | 0.663 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -57.9 | -20.6 | 178.1 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | S903 N904 F908 | S903-T906 WeakPolarHBondContact O-CG2 3.25Å; S903-T906 PolarHBondContact O-OG1 3.2Å; N904-T906 PolarHBondContact O-N 3.37Å; T906-F908 VanDerWaalsContact C-N 3.34Å |
| 907 | Y | 46 | Very low | 55.9 | Low | 211 Ų | 211 | 90.5 Ų | 90.5 | 83% | 0.827 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -71.8 | -25.6 | 175.9 | -123.8 | -93 | 0 | 0 | 0 | 113.3 | N904 L905 N909 | N904-Y907 PolarHBondContact O-N 2.58Å; L905-Y907 PolarHBondContact O-N 2.92Å; L905-Y907 VanDerWaalsContact O-N 3.07Å; Y907-N909 VanDerWaalsContact C-N 3.26Å; Y907-N909 PolarHBondContact O-N 2.8Å; Y907-N909 VanDerWaalsContact O-N 3.09Å |
| 908 | F | 50.7 | Low | 55.2 | Low | 71 Ų | 71 | 97.6 Ų | 97.6 | 31% | 0.311 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -87 | 63.2 | 175.8 | -72.2 | -86.3 | 0 | 0 | 0 | 110.7 | L905 T906 E910 M919 W921 | L905-F908 PolarHBondContact O-N 2.04Å; T906-F908 VanDerWaalsContact C-N 3.34Å; F908-E910 PolarHBondContact O-N 2.99Å; F908-M919 HydrophobicContact CD1-CG 3.95Å; F908-M919 HydrophobicContact CE1-CG 3.87Å; F908-W921 AromaticContact CD2-CH2 3.77Å; F908-W921 HydrophobicContact CD2-CH2 3.77Å; F908-W921 HydrophobicContact CD2-CZ3 4.34Å; F908-W921 AromaticContact CE2-CH2 3.76Å; F908-W921 HydrophobicContact CE2-CH2 3.76Å; F908-W921 AromaticContact CE2-CZ3 3.85Å; F908-W921 HydrophobicContact CE2-CZ3 3.85Å; F908-W921 HydrophobicContact CG-CH2 4.25Å; F908-W921 HydrophobicContact CZ-CH2 4.24Å; F908-W921 HydrophobicContact CZ-CZ3 4.17Å |
| 909 | N | 45.7 | Very low | 54.8 | Low | 96 Ų | 96 | 94.5 Ų | 94.5 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | trans | -63.7 | 115.7 | -179.8 | -174.2 | -21.3 | 0 | 0 | 0 | 111.1 | Y907 N911 N912 | Y907-N909 VanDerWaalsContact C-N 3.26Å; Y907-N909 PolarHBondContact O-N 2.8Å; Y907-N909 VanDerWaalsContact O-N 3.09Å; N909-N911 PolarHBondContact O-N 3.38Å; N909-N911 PolarHBondContact OD1-N 2.95Å; N909-N911 PolarHBondContact OD1-ND2 2.8Å; N909-N912 PolarHBondContact O-N 3.48Å | ||
| 910 | E | 45.6 | Very low | 54.4 | Low | 138 Ų | 138 | 90.8 Ų | 90.8 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.3 | -171.2 | -57.6 | -173.1 | 153.1 | 0 | 0 | 114.3 | R850 F908 N912 | R850-E910 IonicContact CZ-OE1 2.75Å; R850-E910 IonicContact NH1-OE1 3.43Å; R850-E910 IonicContact NH2-OE1 2.78Å; R850-E910 PolarHBondContact NH2-OE1 3.42Å; F908-E910 PolarHBondContact O-N 2.99Å; E910-N912 VanDerWaalsContact C-N 3.31Å; E910-N912 PolarHBondContact O-N 2.02Å |
| 911 | N | 44.9 | Very low | 54.9 | Low | 122 Ų | 122 | 89.1 Ų | 89.1 | 65% | 0.652 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.5 | 177.9 | -64.5 | -78 | 0 | 0 | 0 | 113.8 | N909 Y913 | N909-N911 PolarHBondContact O-N 3.38Å; N909-N911 PolarHBondContact OD1-N 2.95Å; N909-N911 PolarHBondContact OD1-ND2 2.8Å; N911-Y913 VanDerWaalsContact O-CD2 3.24Å; N911-Y913 WeakPolarHBondContact O-CD2 3.38Å; N911-Y913 PolarHBondContact O-N 2.86Å; N911-Y913 VanDerWaalsContact O-N 3.15Å |
| 912 | N | 46.2 | Very low | 55.7 | Low | 99 Ų | 99 | 83.6 Ų | 83.6 | 53% | 0.529 | 45% | 0.448 | S | S | . | . | trans | -89.7 | 74.3 | -178.3 | -164.6 | 1.1 | 0 | 0 | 0 | 110.8 | N909 E910 N914 A915 | N909-N912 PolarHBondContact O-N 3.48Å; E910-N912 VanDerWaalsContact C-N 3.31Å; E910-N912 PolarHBondContact O-N 2.02Å; N912-N914 PolarHBondContact O-N 3.16Å; N912-A915 HydrophobicContact CB-CB 4.35Å; N912-A915 WeakPolarHBondContact O-CB 3.4Å; N912-A915 PolarHBondContact O-N 2.03Å | ||
| 913 | Y | 47 | Very low | 56.9 | Low | 103 Ų | 103 | 79.9 Ų | 79.9 | 40% | 0.404 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -19.7 | -170.6 | -70.2 | -80.7 | 0 | 0 | 0 | 116.7 | N911 | N911-Y913 VanDerWaalsContact O-CD2 3.24Å; N911-Y913 WeakPolarHBondContact O-CD2 3.38Å; N911-Y913 PolarHBondContact O-N 2.86Å; N911-Y913 VanDerWaalsContact O-N 3.15Å |
| 914 | N | 44.8 | Very low | 57.9 | Low | 137 Ų | 137 | 80.1 Ų | 80.1 | 73% | 0.733 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -26.6 | 175.4 | -68.2 | -10.5 | 0 | 0 | 0 | 113 | N912 I916 A917 | N912-N914 PolarHBondContact O-N 3.16Å; N914-I916 PolarHBondContact O-N 3.45Å; N914-A917 PolarHBondContact O-N 2.69Å |
| 915 | A | 44.9 | Very low | 59 | Low | 31 Ų | 31 | 80.3 Ų | 80.3 | 26% | 0.256 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -69.3 | -15.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N912 A917 E918 | N912-A915 HydrophobicContact CB-CB 4.35Å; N912-A915 WeakPolarHBondContact O-CB 3.4Å; N912-A915 PolarHBondContact O-N 2.03Å; A915-A917 PolarHBondContact O-N 3.46Å; A915-E918 PolarHBondContact O-N 3.17Å; A915-E918 VanDerWaalsContact O-N 3.13Å |
| 916 | I | 49.1 | Very low | 60.1 | Low | 35 Ų | 35 | 78.6 Ų | 78.6 | 18% | 0.179 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -62.8 | -5.8 | 175.4 | -49.8 | 168.3 | 0 | 0 | 0 | 111.5 | W674 N914 R925 | W674-I916 HydrophobicContact CH2-CG2 3.53Å; W674-I916 HydrophobicContact CZ2-CD1 4.4Å; W674-I916 HydrophobicContact CZ2-CG2 3.41Å; W674-I916 VanDerWaalsContact CZ2-CG2 3.41Å; W674-I916 HydrophobicContact CZ3-CG2 4.28Å; N914-I916 PolarHBondContact O-N 3.45Å; I916-R925 PolarHBondContact O-NH2 3.13Å |
| 917 | A | 47.7 | Very low | 61.6 | Low | 65 Ų | 65 | 78.2 Ų | 78.2 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -75.6 | -23.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N914 A915 | N914-A917 PolarHBondContact O-N 2.69Å; A915-A917 PolarHBondContact O-N 3.46Å |
| 918 | E | 58.4 | Low | 63.4 | Low | 159 Ų | 159 | 69.8 Ų | 69.8 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | trans | -122.2 | 13.6 | -160.2 | -60.6 | -168.7 | 143.9 | 0 | 0 | 115.5 | A915 P920 | A915-E918 PolarHBondContact O-N 3.17Å; A915-E918 VanDerWaalsContact O-N 3.13Å; E918-P920 VanDerWaalsContact O-CD 3.24Å; E918-P920 WeakPolarHBondContact O-CD 3.15Å | ||
| 919 | M | 73 | Confident | 65.1 | Low | 26 Ų | 26 | 71.8 Ų | 71.8 | 13% | 0.128 | 38% | 0.375 | C | S | . | . | trans | -66.8 | 116.5 | 174.1 | -63.9 | 170 | 77.3 | 0 | 0 | 110.5 | K637 F908 W921 C922 | K637-M919 PolarHBondContact NZ-O 1.75Å; F908-M919 HydrophobicContact CD1-CG 3.95Å; F908-M919 HydrophobicContact CE1-CG 3.87Å; M919-W921 HydrophobicContact CE-CH2 4.33Å; M919-W921 HydrophobicContact CE-CZ2 3.45Å; M919-W921 VanDerWaalsContact CE-CZ2 3.45Å; M919-W921 PolarHBondContact O-N 3.17Å; M919-C922 HydrophobicContact CB-CB 4.06Å; M919-C922 PolarHBondContact O-N 2.84Å | ||
| 920 | P | 73.4 | Confident | 67.1 | Low | 26 Ų | 26 | 69.5 Ų | 69.5 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -25.7 | -174.5 | 26.5 | -32.1 | 0 | 0 | 0 | 113.6 | K637 H893 I895 E918 | K637-P920 WeakPolarHBondContact CA-O 3.24Å; K637-P920 VanDerWaalsContact CB-O 3.32Å; K637-P920 WeakPolarHBondContact CB-O 3.5Å; K637-P920 WeakPolarHBondContact CG-O 3.22Å; H893-P920 WeakPolarHBondContact O-CG 3.35Å; I895-P920 HydrophobicContact CG2-CB 4.12Å; I895-P920 HydrophobicContact CG2-CG 4.3Å; E918-P920 VanDerWaalsContact O-CD 3.24Å; E918-P920 WeakPolarHBondContact O-CD 3.15Å |
| 921 | W | 85.9 | Confident | 69.1 | Low | 7 Ų | 7 | 64.9 Ų | 64.9 | 3% | 0.027 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0 | 178.3 | 66.9 | 92.2 | 0 | 0 | 0 | 114.9 | C889 H890 P892 H893 L900 L905 F908 M919 | C889-W921 CarbonylContact C-O 3.55Å; C889-W921 WeakPolarHBondContact CA-O 3.02Å; H890-W921 HydrophobicContact CB-CB 4.35Å; H890-W921 PolarHBondContact N-O 2.97Å; H890-W921 VanDerWaalsContact O-CD1 3.29Å; P892-W921 HydrophobicContact CB-CD2 4.02Å; P892-W921 HydrophobicContact CB-CE3 4.28Å; P892-W921 HydrophobicContact CB-CH2 4.27Å; P892-W921 HydrophobicContact CB-CZ2 3.98Å; P892-W921 HydrophobicContact CB-CZ3 4.41Å; P892-W921 HydrophobicContact CG-CD2 4.48Å; P892-W921 HydrophobicContact CG-CZ2 4.09Å; H893-W921 WeakPolarHBondContact NE2-CA 3.38Å; H893-W921 WeakPolarHBondContact NE2-CB 3.36Å; H893-W921 VanDerWaalsContact O-CE3 3.27Å; L900-W921 HydrophobicContact CD1-CE3 4.15Å; L900-W921 HydrophobicContact CD1-CH2 4.3Å; L900-W921 HydrophobicContact CD1-CZ3 3.61Å; L905-W921 HydrophobicContact CD2-CH2 3.87Å; L905-W921 HydrophobicContact CD2-CZ2 3.86Å; F908-W921 AromaticContact CD2-CH2 3.77Å; F908-W921 HydrophobicContact CD2-CH2 3.77Å; F908-W921 HydrophobicContact CD2-CZ3 4.34Å; F908-W921 AromaticContact CE2-CH2 3.76Å; F908-W921 HydrophobicContact CE2-CH2 3.76Å; F908-W921 AromaticContact CE2-CZ3 3.85Å; F908-W921 HydrophobicContact CE2-CZ3 3.85Å; F908-W921 HydrophobicContact CG-CH2 4.25Å; F908-W921 HydrophobicContact CZ-CH2 4.24Å; F908-W921 HydrophobicContact CZ-CZ3 4.17Å; M919-W921 HydrophobicContact CE-CH2 4.33Å; M919-W921 HydrophobicContact CE-CZ2 3.45Å; M919-W921 VanDerWaalsContact CE-CZ2 3.45Å; M919-W921 PolarHBondContact O-N 3.17Å |
| 922 | C | 85.8 | Confident | 71.2 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -116.7 | 146.2 | 179.8 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | K637 A888 C889 M919 | K637-C922 WeakPolarHBondContact CE-O 3.39Å; K637-C922 VanDerWaalsContact CG-O 3.25Å; K637-C922 WeakPolarHBondContact CG-O 3.49Å; K637-C922 PolarHBondContact NZ-O 2.94Å; A888-C922 CarbonylContact O-C 3.37Å; A888-C922 WeakPolarHBondContact O-CA 3.16Å; C889-C922 HydrophobicContact CB-CB 4.13Å; C889-C922 WeakPolarHBondContact CB-SG 3.41Å; C889-C922 WeakPolarHBondContact SG-CB 3.28Å; C889-C922 CovalentContact SG-SG 2.04Å; C889-C922 PolarHBondContact SG-SG 2.64Å; M919-C922 HydrophobicContact CB-CB 4.06Å; M919-C922 PolarHBondContact O-N 2.84Å |
| 923 | S | 86.3 | Confident | 73.2 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 165.4 | -172.6 | 74.3 | 0 | 0 | 0 | 0 | 113.9 | P638 S639 S887 A888 | P638-S923 WeakPolarHBondContact O-CA 3.3Å; P638-S923 WeakPolarHBondContact O-CB 3.49Å; S639-S923 WeakPolarHBondContact O-CB 3.18Å; S887-S923 VanDerWaalsContact CA-OG 3.22Å; S887-S923 WeakPolarHBondContact CA-OG 3.07Å; S887-S923 WeakPolarHBondContact CB-OG 3.48Å; S887-S923 PolarHBondContact OG-O 3.47Å; A888-S923 PolarHBondContact N-OG 3.44Å; A888-S923 PolarHBondContact O-N 3.31Å |
| 924 | T | 79 | Confident | 75.1 | Confident | 81 Ų | 81 | 54.4 Ų | 54.4 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 150.9 | 154.8 | 41.1 | 0 | 0 | 0 | 0 | 110.9 | S640 | S640-T924 WeakPolarHBondContact OG-CB 3.36Å; S640-T924 PolarHBondContact OG-O 2.53Å; S640-T924 VanDerWaalsContact OG-O 3.04Å; S640-T924 PolarHBondContact OG-OG1 2.87Å |
| 925 | R | 78 | Confident | 77.1 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 126.8 | -176.1 | -70.9 | 168.2 | -173.4 | 176.4 | 6.5 | 110.7 | V885 I886 I916 I927 | V885-R925 HydrophobicContact CG1-CB 3.83Å; V885-R925 HydrophobicContact CG1-CG 3.63Å; I886-R925 WeakPolarHBondContact O-CA 3.42Å; I916-R925 PolarHBondContact O-NH2 3.13Å; R925-I927 HydrophobicContact CB-CD1 4.31Å; R925-I927 HydrophobicContact CB-CG1 4.13Å |
| 926 | S | 79.5 | Confident | 79 | Confident | 27 Ų | 27 | 56.1 Ų | 56.1 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 143.1 | 158 | -159.6 | 0 | 0 | 0 | 0 | 108.7 | P641 V885 I886 | P641-S926 PolarHBondContact O-OG 2.99Å; V885-S926 CarbonylContact C-O 3.58Å; V885-S926 WeakPolarHBondContact CA-O 3.36Å; I886-S926 PolarHBondContact N-O 2.81Å; I886-S926 PolarHBondContact O-N 3.26Å |
| 927 | I | 82.1 | Confident | 80.7 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 132.9 | -165.2 | -54 | -174.8 | 0 | 0 | 0 | 110.1 | L883 F884 V885 R925 | L883-I927 HydrophobicContact CD1-CG2 3.48Å; L883-I927 VanDerWaalsContact CD1-CG2 3.48Å; L883-I927 HydrophobicContact CG-CG2 4.4Å; F884-I927 WeakPolarHBondContact O-CA 3.3Å; V885-I927 HydrophobicContact CG2-CD1 4.45Å; V885-I927 HydrophobicContact CG2-CG1 4.11Å; V885-I927 HydrophobicContact CG2-CG2 4.2Å; R925-I927 HydrophobicContact CB-CD1 4.31Å; R925-I927 HydrophobicContact CB-CG1 4.13Å |
| 928 | I | 84.5 | Confident | 82.6 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.1 | 171 | -166.8 | 163.7 | 0 | 0 | 0 | 111.3 | F644 A646 F884 | F644-I928 HydrophobicContact CD1-CB 4.34Å; F644-I928 HydrophobicContact CD1-CG2 4.05Å; F644-I928 HydrophobicContact CE1-CB 4.29Å; F644-I928 HydrophobicContact CE1-CG2 3.62Å; F644-I928 HydrophobicContact CZ-CG2 3.95Å; A646-I928 HydrophobicContact CB-CD1 4.26Å; A646-I928 HydrophobicContact CB-CG2 3.82Å; F884-I928 HydrophobicContact CB-CG2 3.96Å; F884-I928 HydrophobicContact CD2-CG2 4.39Å; F884-I928 PolarHBondContact N-O 3.27Å; F884-I928 PolarHBondContact O-N 3.23Å |
| 929 | Q | 86.3 | Confident | 83.9 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 53% | 0.528 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129 | 171.2 | -68.4 | 173.3 | -61.1 | 0 | 0 | 108 | L678 Y882 L883 | L678-Q929 HydrophobicContact CD1-CG 4.06Å; Y882-Q929 WeakPolarHBondContact O-CA 3.32Å; L883-Q929 HydrophobicContact CD1-CG 3.58Å |
| 930 | Q | 87.6 | Confident | 84.6 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 140.8 | 179.2 | -177.3 | 55.1 | 42.4 | 0 | 0 | 110.2 | A646 M654 Y882 F884 | A646-Q930 HydrophobicContact CB-CB 4.16Å; A646-Q930 HydrophobicContact CB-CG 4.48Å; M654-Q930 HydrophobicContact CE-CB 4.06Å; M654-Q930 HydrophobicContact CE-CG 3.81Å; M654-Q930 HydrophobicContact SD-CB 3.98Å; M654-Q930 HydrophobicContact SD-CG 3.33Å; M654-Q930 WeakPolarHBondContact SD-CG 3.17Å; Y882-Q930 PolarHBondContact N-O 2.91Å; Y882-Q930 PolarHBondContact O-N 3.11Å; F884-Q930 HydrophobicContact CE2-CB 4.47Å |
| 931 | R | 86.9 | Confident | 85.2 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 143.4 | 177.6 | -160.2 | 178.9 | -66.1 | 163.7 | 2.5 | 110.6 | Y879 T880 E881 | Y879-R931 PolarHBondContact OH-NH1 3.01Å; T880-R931 WeakPolarHBondContact O-CA 3.27Å; T880-R931 WeakPolarHBondContact O-CG 3.16Å; E881-R931 HydrophobicContact CB-CB 4.45Å; E881-R931 HydrophobicContact CB-CG 4.29Å; E881-R931 HydrophobicContact CG-CB 4.37Å; E881-R931 IonicContact OE2-CZ 3.19Å; E881-R931 IonicContact OE2-NE 2.78Å; E881-R931 PolarHBondContact OE2-NE 3.11Å; E881-R931 IonicContact OE2-NH2 2.78Å; E881-R931 PolarHBondContact OE2-NH2 3.07Å |
| 932 | T | 89.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 160.6 | 167.4 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | M654 L876 H877 Y879 T880 Y882 | M654-T932 HydrophobicContact CE-CG2 3.94Å; L876-T932 HydrophobicContact CB-CG2 3.77Å; L876-T932 HydrophobicContact CD1-CG2 3.89Å; H877-T932 WeakPolarHBondContact O-CB 3.29Å; H877-T932 PolarHBondContact O-OG1 3.48Å; Y879-T932 WeakPolarHBondContact CA-O 3.44Å; Y879-T932 PolarHBondContact N-OG1 2.98Å; T880-T932 PolarHBondContact N-OG1 3.45Å; T880-T932 PolarHBondContact O-N 3.09Å; T880-T932 VanDerWaalsContact O-N 3.12Å; T880-T932 PolarHBondContact O-OG1 2.55Å; Y882-T932 HydrophobicContact CD2-CG2 4.47Å; Y882-T932 HydrophobicContact CE2-CG2 4.49Å |
| 933 | D | 88.3 | Confident | 85.2 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 32% | 0.316 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 162.1 | 178.4 | -56.5 | -62.5 | 0 | 0 | 0 | 113 | S648 N650 S651 Y879 | S648-D933 WeakPolarHBondContact CB-OD2 3.41Å; S648-D933 VanDerWaalsContact OG-CG 3.27Å; S648-D933 PolarHBondContact OG-N 2.74Å; S648-D933 PolarHBondContact OG-OD2 3.05Å; N650-D933 VanDerWaalsContact C-OD2 3.31Å; N650-D933 VanDerWaalsContact CA-OD2 3.24Å; N650-D933 WeakPolarHBondContact CA-OD2 3.37Å; N650-D933 PolarHBondContact N-OD2 3.4Å; S651-D933 WeakPolarHBondContact CA-O 3.4Å; S651-D933 WeakPolarHBondContact CB-O 2.92Å; Y879-D933 PolarHBondContact N-O 2.84Å |
| 934 | A | 85.1 | Confident | 85.2 | Confident | 44 Ų | 44 | 60 Ų | 60 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 147.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y879 A1103 | Y879-A934 HydrophobicContact CD2-CB 3.75Å; Y879-A934 HydrophobicContact CE2-CB 4.38Å; Y879-A934 HydrophobicContact CG-CB 4.35Å; A934-A1103 HydrophobicContact CB-CB 4.08Å |
| 935 | S | 88.7 | Confident | 85.5 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 138.2 | 168.1 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | V938 N1020 | S935-V938 WeakPolarHBondContact OG-CG1 3.39Å; S935-N1020 PolarHBondContact N-OD1 3.28Å; S935-N1020 PolarHBondContact O-ND2 2.72Å; S935-N1020 PolarHBondContact O-OD1 3.17Å |
| 936 | I | 85 | Confident | 85.7 | Confident | 169 Ų | 169 | 52.6 Ų | 52.6 | 87% | 0.867 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -82.5 | 134.4 | -175.2 | -59.4 | 175.5 | 0 | 0 | 0 | 109.8 | V938 | I936-V938 VanDerWaalsContact C-N 3.28Å; I936-V938 PolarHBondContact O-N 2.66Å |
| 937 | G | 83.7 | Confident | 85.8 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 79.3 | -9.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | D939 D940 | G937-D939 PolarHBondContact O-N 3.42Å; G937-D940 PolarHBondContact O-N 2.96Å |
| 938 | V | 86.8 | Confident | 85.4 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.4 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 114.4 | S935 I936 Q1018 N1020 | S935-V938 WeakPolarHBondContact OG-CG1 3.39Å; I936-V938 VanDerWaalsContact C-N 3.28Å; I936-V938 PolarHBondContact O-N 2.66Å; V938-Q1018 WeakPolarHBondContact CB-O 3.25Å; V938-Q1018 WeakPolarHBondContact CG2-O 3.42Å; V938-N1020 WeakPolarHBondContact CG2-ND2 3.26Å |
| 939 | D | 86.5 | Confident | 84.7 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.8 | 178.5 | -72.2 | -38.8 | 0 | 0 | 0 | 113.4 | G937 P1016 P1019 N1020 S1099 S1101 | G937-D939 PolarHBondContact O-N 3.42Å; D939-P1016 WeakPolarHBondContact O-CG 3.33Å; D939-P1019 WeakPolarHBondContact OD1-CA 3.19Å; D939-P1019 WeakPolarHBondContact OD1-CB 3.31Å; D939-N1020 PolarHBondContact OD1-N 3.41Å; D939-N1020 PolarHBondContact OD2-ND2 3.26Å; D939-S1099 WeakPolarHBondContact O-CB 3.36Å; D939-S1099 PolarHBondContact O-OG 3.13Å; D939-S1101 WeakPolarHBondContact OD1-CB 3.19Å; D939-S1101 PolarHBondContact OD1-OG 3.26Å; D939-S1101 WeakPolarHBondContact OD2-CB 3.23Å; D939-S1101 PolarHBondContact OD2-OG 2.77Å |
| 940 | D | 88.1 | Confident | 83.3 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | trans | -79 | 149.5 | -170.4 | -73.6 | 2.3 | 0 | 0 | 0 | 113.7 | G937 G1106 S1107 | G937-D940 PolarHBondContact O-N 2.96Å; D940-G1106 WeakPolarHBondContact OD1-CA 3.27Å; D940-S1107 VanDerWaalsContact CG-OG 3.32Å; D940-S1107 PolarHBondContact OD1-N 2.9Å; D940-S1107 PolarHBondContact OD1-OG 2.88Å; D940-S1107 WeakPolarHBondContact OD2-CB 3.29Å; D940-S1107 PolarHBondContact OD2-OG 2.88Å | ||
| 941 | I | 85.4 | Confident | 81.5 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | trans | -93.1 | 126.8 | 179 | -62.8 | 165.9 | 0 | 0 | 0 | 110.2 | S943 W1013 P1016 Y1026 I1097 T1109 | I941-S943 PolarHBondContact O-N 2.96Å; I941-W1013 HydrophobicContact CG2-CB 4.5Å; I941-W1013 HydrophobicContact CG2-CG 4.48Å; I941-P1016 HydrophobicContact CG1-CG 4.4Å; I941-Y1026 HydrophobicContact CD1-CD1 3.78Å; I941-Y1026 HydrophobicContact CD1-CE1 3.93Å; I941-I1097 HydrophobicContact CD1-CB 4.36Å; I941-I1097 HydrophobicContact CD1-CG2 3.68Å; I941-T1109 HydrophobicContact CB-CG2 3.7Å; I941-T1109 HydrophobicContact CG2-CG2 3.73Å | ||
| 942 | D | 86.5 | Confident | 79.2 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | trans | -60 | 112 | 169.5 | 169.4 | 31.5 | 0 | 0 | 0 | 110.6 | N944 S945 | D942-N944 PolarHBondContact O-N 3.46Å; D942-N944 WeakPolarHBondContact OD1-CB 3.5Å; D942-N944 PolarHBondContact OD1-N 2.99Å; D942-N944 PolarHBondContact OD1-ND2 2.81Å; D942-S945 WeakPolarHBondContact O-CB 3.29Å; D942-S945 PolarHBondContact O-N 3.33Å; D942-S945 PolarHBondContact O-OG 2.8Å; D942-S945 PolarHBondContact OD2-N 3.02Å; D942-S945 VanDerWaalsContact OD2-N 3.16Å | ||
| 943 | S | 85.4 | Confident | 76.6 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 20% | 0.203 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.3 | 179.4 | -68.2 | 0 | 0 | 0 | 0 | 113.8 | I941 T1109 S1110 K1112 | I941-S943 PolarHBondContact O-N 2.96Å; S943-T1109 VanDerWaalsContact OG-CA 3.28Å; S943-T1109 WeakPolarHBondContact OG-CA 3.38Å; S943-T1109 VanDerWaalsContact OG-CB 3.27Å; S943-T1109 WeakPolarHBondContact OG-CB 3.41Å; S943-S1110 WeakPolarHBondContact CB-OG 3.48Å; S943-S1110 PolarHBondContact OG-N 3.02Å; S943-K1112 WeakPolarHBondContact O-CE 3.39Å; S943-K1112 PolarHBondContact O-NZ 2.75Å |
| 944 | N | 85.7 | Confident | 73.9 | Confident | 133 Ų | 133 | 69 Ų | 69 | 71% | 0.711 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -17.6 | 174.2 | -53.8 | -64.8 | 0 | 0 | 0 | 112.5 | D942 I946 | D942-N944 PolarHBondContact O-N 3.46Å; D942-N944 WeakPolarHBondContact OD1-CB 3.5Å; D942-N944 PolarHBondContact OD1-N 2.99Å; D942-N944 PolarHBondContact OD1-ND2 2.81Å; N944-I946 VanDerWaalsContact C-N 3.25Å; N944-I946 PolarHBondContact O-N 3.42Å |
| 945 | S | 85.3 | Confident | 71.2 | Confident | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -73.3 | -14.8 | 175.6 | 77.9 | 0 | 0 | 0 | 0 | 113.9 | D942 Q947 R1014 F1080 | D942-S945 WeakPolarHBondContact O-CB 3.29Å; D942-S945 PolarHBondContact O-N 3.33Å; D942-S945 PolarHBondContact O-OG 2.8Å; D942-S945 PolarHBondContact OD2-N 3.02Å; D942-S945 VanDerWaalsContact OD2-N 3.16Å; S945-Q947 PolarHBondContact O-N 3.23Å; S945-R1014 PolarHBondContact OG-N 3.35Å; S945-F1080 WeakPolarHBondContact O-CE1 3.07Å |
| 946 | I | 83.4 | Confident | 68.4 | Low | 18 Ų | 18 | 79.3 Ų | 79.3 | 9% | 0.092 | 45% | 0.454 | C | S | . | . | trans | -74.7 | 122.2 | -176.7 | -50.9 | 171.8 | 0 | 0 | 0 | 110.6 | N944 R1012 W1013 F1095 I1097 T1109 K1112 | N944-I946 VanDerWaalsContact C-N 3.25Å; N944-I946 PolarHBondContact O-N 3.42Å; I946-R1012 CarbonylContact C-O 3.47Å; I946-R1012 WeakPolarHBondContact CA-O 3.43Å; I946-W1013 HydrophobicContact CG1-CB 4.05Å; I946-F1095 HydrophobicContact CG2-CE2 3.82Å; I946-F1095 HydrophobicContact CG2-CZ 3.78Å; I946-I1097 HydrophobicContact CD1-CD1 4.34Å; I946-I1097 HydrophobicContact CD1-CG1 4.46Å; I946-I1097 HydrophobicContact CG1-CD1 4.46Å; I946-I1097 HydrophobicContact CG2-CD1 4.48Å; I946-T1109 HydrophobicContact CD1-CG2 3.93Å; I946-T1109 WeakPolarHBondContact CD1-OG1 3.35Å; I946-K1112 HydrophobicContact CB-CG 4.38Å; I946-K1112 HydrophobicContact CD1-CG 4.13Å; I946-K1112 HydrophobicContact CG2-CG 4.11Å | ||
| 947 | Q | 81.8 | Confident | 65.9 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 152.2 | -179.8 | -58.3 | 172.5 | 14.7 | 0 | 0 | 110.7 | S945 R1012 | S945-Q947 PolarHBondContact O-N 3.23Å; Q947-R1012 HydrophobicContact CB-CG 3.84Å; Q947-R1012 PolarHBondContact N-O 3.34Å; Q947-R1012 PolarHBondContact O-N 2.65Å; Q947-R1012 VanDerWaalsContact OE1-CZ 3.26Å |
| 948 | L | 74 | Confident | 63.5 | Low | 65 Ų | 65 | 83 Ų | 83 | 34% | 0.34 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.3 | 174.5 | -92.9 | 140.3 | 0 | 0 | 0 | 109.6 | Q1010 L1011 F1095 R1113 F1114 | L948-Q1010 WeakPolarHBondContact CA-O 3.34Å; L948-L1011 HydrophobicContact CD2-CD2 3.46Å; L948-L1011 VanDerWaalsContact CD2-CD2 3.46Å; L948-L1011 HydrophobicContact CG-CD2 3.77Å; L948-F1095 HydrophobicContact CD1-CE1 4.22Å; L948-R1113 WeakPolarHBondContact CD1-O 3.45Å; L948-F1114 HydrophobicContact CD1-CB 3.87Å; L948-F1114 HydrophobicContact CD2-CB 3.64Å; L948-F1114 HydrophobicContact CD2-CD1 4.07Å; L948-F1114 HydrophobicContact CD2-CG 4.03Å; L948-F1114 HydrophobicContact CG-CB 4.43Å |
| 949 | V | 68.9 | Low | 60.9 | Low | 36 Ų | 36 | 87.7 Ų | 87.7 | 22% | 0.218 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.5 | 174.9 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | E951 Q1010 | V949-E951 HydrophobicContact CG1-CG 4.15Å; V949-Q1010 HydrophobicContact CB-CB 4.23Å; V949-Q1010 PolarHBondContact N-O 3.16Å; V949-Q1010 PolarHBondContact O-N 3.35Å |
| 950 | D | 57.8 | Low | 58.4 | Low | 93 Ų | 93 | 93.9 Ų | 93.9 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | trans | -108.6 | 95.6 | -179.2 | -85 | 17 | 0 | 0 | 0 | 109.4 | N952 K1009 | D950-N952 PolarHBondContact O-N 2.89Å; D950-K1009 VanDerWaalsContact OD1-CD 3.28Å; D950-K1009 WeakPolarHBondContact OD1-CD 3.34Å; D950-K1009 IonicContact OD1-NZ 2.71Å; D950-K1009 PolarHBondContact OD1-NZ 3.04Å; D950-K1009 IonicContact OD2-NZ 2.69Å; D950-K1009 PolarHBondContact OD2-NZ 2.82Å | ||
| 951 | E | 49.6 | Very low | 55.9 | Low | 111 Ų | 111 | 95.2 Ų | 95.2 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | trans | -85 | 89.4 | -178.4 | -64.5 | -170.9 | 124.1 | 0 | 0 | 112 | V949 L953 Q1084 | V949-E951 HydrophobicContact CG1-CG 4.15Å; E951-L953 VanDerWaalsContact C-N 3.29Å; E951-L953 PolarHBondContact O-N 2.87Å; E951-Q1084 PolarHBondContact OE2-NE2 3.35Å | ||
| 952 | N | 38.3 | Very low | 53.7 | Low | 156 Ų | 156 | 99.7 Ų | 99.7 | 83% | 0.834 | 56% | 0.562 | S | S | * | * | trans | -86.5 | 62.3 | 164.7 | -77 | -53.3 | 0 | 0 | 0 | 110.7 | D950 | D950-N952 PolarHBondContact O-N 2.89Š| ||
| 953 | L | 35.5 | Very low | 51.4 | Low | 159 Ų | 159 | 101.2 Ų | 101.2 | 83% | 0.832 | 58% | 0.576 | S | S | * | * | trans | -108 | 147.5 | 174.8 | -104.6 | 73.6 | 0 | 0 | 0 | 112.6 | E951 | E951-L953 VanDerWaalsContact C-N 3.29Å; E951-L953 PolarHBondContact O-N 2.87Å | ||
| 954 | G | 31.4 | Very low | 49 | Very low | 75 Ų | 75 | 103.2 Ų | 103.2 | 77% | 0.773 | 59% | 0.59 | S | S | * | * | trans | -83.3 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D956 | G954-D956 PolarHBondContact O-N 2.75Š| ||
| 955 | T | 27.6 | Very low | 46.8 | Very low | 137 Ų | 137 | 105.7 Ų | 105.7 | 84% | 0.84 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -70.1 | 110.5 | 177.3 | 48.1 | 0 | 0 | 0 | 0 | 112 | ||
| 956 | D | 30.8 | Very low | 44.6 | Very low | 158 Ų | 158 | 110.9 Ų | 110.9 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | trans | -158.1 | 100.9 | 146.8 | -92.7 | -34.7 | 0 | 0 | 0 | 108.6 | G954 | G954-D956 PolarHBondContact O-N 2.75Š| ||
| 957 | I | 31.3 | Very low | 42.5 | Very low | 160 Ų | 160 | 112.9 Ų | 112.9 | 82% | 0.821 | 65% | 0.645 | S | S | * | * | trans | -107.6 | 77.7 | 173.4 | -55.3 | 179.9 | 0 | 0 | 0 | 107.5 | ||||
| 958 | D | 32.9 | Very low | 40.6 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | trans | -89.6 | 133.9 | 179 | -150 | -0.8 | 0 | 0 | 0 | 111 | N960 | D958-N960 VanDerWaalsContact C-N 3.32Å; D958-N960 PolarHBondContact O-N 3.14Å | ||
| 959 | N | 33.1 | Very low | 38.8 | Very low | 141 Ų | 141 | 114.9 Ų | 114.9 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | trans | -85.2 | 63 | -158 | -74 | -89.1 | 0 | 0 | 0 | 113.5 | C961 | N959-C961 PolarHBondContact O-N 2.95Å; N959-C961 VanDerWaalsContact O-N 3.09Å | ||
| 960 | N | 34.2 | Very low | 37.3 | Very low | 144 Ų | 144 | 117.1 Ų | 117.1 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -85.9 | 66.2 | -176.8 | -78.3 | -58.8 | 0 | 0 | 0 | 114.4 | D958 | D958-N960 VanDerWaalsContact C-N 3.32Å; D958-N960 PolarHBondContact O-N 3.14Å | ||
| 961 | C | 34.6 | Very low | 36.6 | Very low | 88 Ų | 88 | 116.8 Ų | 116.8 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 118.2 | 155.1 | -84.7 | 0 | 0 | 0 | 0 | 109.5 | N959 | N959-C961 PolarHBondContact O-N 2.95Å; N959-C961 VanDerWaalsContact O-N 3.09Å |
| 962 | P | 38.7 | Very low | 36.1 | Very low | 104 Ų | 104 | 116.3 Ų | 116.3 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 152.6 | -172.8 | 28 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 963 | P | 38.8 | Very low | 36.1 | Very low | 107 Ų | 107 | 118 Ų | 118 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 144.6 | -179.7 | -25.1 | 35.2 | 0 | 0 | 0 | 114.4 | E965 | P963-E965 VanDerWaalsContact C-N 3.3Å; P963-E965 PolarHBondContact O-N 3.19Å; P963-E965 VanDerWaalsContact O-N 3.16Å |
| 964 | S | 34.8 | Very low | 36.3 | Very low | 72 Ų | 72 | 117.1 Ų | 117.1 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | 17.6 | -164.3 | 57.2 | 0 | 0 | 0 | 0 | 116.2 | K972 | S964-K972 WeakPolarHBondContact O-CE 3.36Å; S964-K972 PolarHBondContact O-NZ 2.85Å |
| 965 | E | 41.1 | Very low | 36.6 | Very low | 184 Ų | 184 | 116.3 Ų | 116.3 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -18.3 | -169.8 | -61 | -162.5 | 136 | 0 | 0 | 114.9 | P963 | P963-E965 VanDerWaalsContact C-N 3.3Å; P963-E965 PolarHBondContact O-N 3.19Å; P963-E965 VanDerWaalsContact O-N 3.16Å |
| 966 | S | 39 | Very low | 37.3 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 79% | 0.79 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -99.2 | -1 | -178.8 | 57.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 967 | L | 39.1 | Very low | 37.6 | Very low | 60 Ų | 60 | 112.2 Ų | 112.2 | 31% | 0.314 | 62% | 0.623 | S | S | . | * | trans | -104.4 | 141.4 | -167.3 | -69.8 | 166.1 | 0 | 0 | 0 | 113.5 | M971 K972 | L967-M971 HydrophobicContact CB-CB 4.29Å; L967-M971 HydrophobicContact CD2-CB 4.43Å; L967-M971 HydrophobicContact CD2-CE 3.84Å; L967-M971 HydrophobicContact CD2-SD 3.76Å; L967-K972 VanDerWaalsContact O-CE 3.29Å; L967-K972 WeakPolarHBondContact O-CE 3.4Å | ||
| 968 | S | 41 | Very low | 37.7 | Very low | 61 Ų | 61 | 107.5 Ų | 107.5 | 43% | 0.427 | 60% | 0.604 | S | S | . | * | trans | -69.7 | 166 | -176.2 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | S970 M971 K972 | S968-S970 PolarHBondContact O-N 2.8Å; S968-S970 PolarHBondContact OG-OG 3.24Å; S968-M971 PolarHBondContact O-N 2.92Å; S968-M971 VanDerWaalsContact O-N 3.09Å; S968-K972 PolarHBondContact O-N 2.7Å | ||
| 969 | S | 36.7 | Very low | 37.9 | Very low | 119 Ų | 119 | 107.4 Ų | 107.4 | 83% | 0.832 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -21.6 | -175.2 | 50.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 970 | S | 37.7 | Very low | 38.3 | Very low | 84 Ų | 84 | 107.8 Ų | 107.8 | 59% | 0.587 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -45.1 | 170.9 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | S968 K972 R973 | S968-S970 PolarHBondContact O-N 2.8Å; S968-S970 PolarHBondContact OG-OG 3.24Å; S970-K972 VanDerWaalsContact C-N 3.32Å; S970-K972 PolarHBondContact O-N 2.92Å; S970-R973 PolarHBondContact O-N 3.42Å |
| 971 | M | 41.9 | Very low | 38.2 | Very low | 86 Ų | 86 | 105.2 Ų | 105.2 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -71.7 | -25.2 | -172.9 | -58.5 | -178.7 | 81.6 | 0 | 0 | 112.8 | L967 S968 R973 E974 S975 | L967-M971 HydrophobicContact CB-CB 4.29Å; L967-M971 HydrophobicContact CD2-CB 4.43Å; L967-M971 HydrophobicContact CD2-CE 3.84Å; L967-M971 HydrophobicContact CD2-SD 3.76Å; S968-M971 PolarHBondContact O-N 2.92Å; S968-M971 VanDerWaalsContact O-N 3.09Å; M971-R973 PolarHBondContact O-N 3.02Å; M971-R973 VanDerWaalsContact O-N 3.09Å; M971-E974 PolarHBondContact O-N 2.63Å; M971-E974 VanDerWaalsContact O-N 3.08Å; M971-S975 PolarHBondContact O-N 2.84Å |
| 972 | K | 39.4 | Very low | 38.1 | Very low | 100 Ų | 100 | 109.7 Ų | 109.7 | 44% | 0.435 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -64.5 | -8.5 | 174 | -69.5 | -169.3 | 175.3 | -167.1 | 0 | 114.6 | S964 L967 S968 S970 | S964-K972 WeakPolarHBondContact O-CE 3.36Å; S964-K972 PolarHBondContact O-NZ 2.85Å; L967-K972 VanDerWaalsContact O-CE 3.29Å; L967-K972 WeakPolarHBondContact O-CE 3.4Å; S968-K972 PolarHBondContact O-N 2.7Å; S970-K972 VanDerWaalsContact C-N 3.32Å; S970-K972 PolarHBondContact O-N 2.92Å |
| 973 | R | 39 | Very low | 37.6 | Very low | 193 Ų | 193 | 112 Ų | 112 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -85.7 | -28.6 | 171.7 | -122.1 | 176.7 | -176.8 | 173.8 | 0.1 | 113.1 | S970 M971 | S970-R973 PolarHBondContact O-N 3.42Å; M971-R973 PolarHBondContact O-N 3.02Å; M971-R973 VanDerWaalsContact O-N 3.09Å |
| 974 | E | 39.5 | Very low | 37.1 | Very low | 139 Ų | 139 | 115.2 Ų | 115.2 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -36.7 | -175.8 | -63.1 | -180 | 141.8 | 0 | 0 | 111.9 | M971 N976 L977 | M971-E974 PolarHBondContact O-N 2.63Å; M971-E974 VanDerWaalsContact O-N 3.08Å; E974-N976 PolarHBondContact O-N 3.27Å; E974-N976 VanDerWaalsContact O-N 3.15Å; E974-L977 WeakPolarHBondContact O-CB 3.5Å; E974-L977 PolarHBondContact O-N 2.98Å |
| 975 | S | 38.2 | Very low | 36.7 | Very low | 58 Ų | 58 | 117.9 Ų | 117.9 | 41% | 0.406 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -25.7 | 177.6 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | M971 | M971-S975 PolarHBondContact O-N 2.84Š|
| 976 | N | 40.9 | Very low | 35.9 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 54% | 0.54 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -22.1 | 176.3 | -79 | -29.5 | 0 | 0 | 0 | 113.5 | E974 | E974-N976 PolarHBondContact O-N 3.27Å; E974-N976 VanDerWaalsContact O-N 3.15Å |
| 977 | L | 38.3 | Very low | 35.4 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -36.7 | 174.5 | -110 | 70.2 | 0 | 0 | 0 | 111.6 | E974 N979 Q980 | E974-L977 WeakPolarHBondContact O-CB 3.5Å; E974-L977 PolarHBondContact O-N 2.98Å; L977-N979 PolarHBondContact O-N 3.09Å; L977-N979 VanDerWaalsContact O-N 3.13Å; L977-Q980 PolarHBondContact O-N 3.47Å |
| 978 | C | 33.7 | Very low | 34.9 | Very low | 61 Ų | 61 | 122.8 Ų | 122.8 | 41% | 0.412 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.9 | -31.2 | -178.3 | -164.3 | 0 | 0 | 0 | 0 | 113 | ||
| 979 | N | 36.3 | Very low | 34.2 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -7.2 | 178.1 | -72 | -34.1 | 0 | 0 | 0 | 114.4 | L977 | L977-N979 PolarHBondContact O-N 3.09Å; L977-N979 VanDerWaalsContact O-N 3.13Å |
| 980 | Q | 40.8 | Very low | 33.8 | Very low | 149 Ų | 149 | 126.1 Ų | 126.1 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -16.6 | -177.7 | -70.3 | -170.6 | -22.5 | 0 | 0 | 114.2 | L977 F982 | L977-Q980 PolarHBondContact O-N 3.47Å; Q980-F982 VanDerWaalsContact C-N 3.26Å; Q980-F982 PolarHBondContact O-N 2.94Å |
| 981 | M | 33.4 | Very low | 33.3 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 44% | 0.443 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -10.1 | -174.4 | -75.8 | 170.8 | 49 | 0 | 0 | 115.8 | P1068 | M981-P1068 HydrophobicContact CE-CB 3.77Å; M981-P1068 HydrophobicContact CE-CG 3.61Å; M981-P1068 HydrophobicContact SD-CB 4.21Å |
| 982 | F | 32.2 | Very low | 32.7 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 80% | 0.798 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 7 | -169.9 | -79.1 | -80 | 0 | 0 | 0 | 116.2 | Q980 | Q980-F982 VanDerWaalsContact C-N 3.26Å; Q980-F982 PolarHBondContact O-N 2.94Å |
| 983 | N | 27.1 | Very low | 32 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | trans | -104.7 | 91.2 | 177.4 | -86.9 | -33.6 | 0 | 0 | 0 | 112.6 | ||||
| 984 | F | 28.1 | Very low | 31.5 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | trans | -102.1 | 110.7 | 165.8 | -87.9 | -86.6 | 0 | 0 | 0 | 110.9 | ||||
| 985 | T | 26.5 | Very low | 31 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | -91 | 110.7 | 173 | 42.5 | 0 | 0 | 0 | 0 | 111.4 | V987 | T985-V987 PolarHBondContact O-N 3.02Š| ||
| 986 | F | 26.1 | Very low | 30.4 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -65 | 128.1 | 166.2 | -89 | -99.8 | 0 | 0 | 0 | 110.7 | ||||
| 987 | V | 28.4 | Very low | 29.7 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 66% | 0.655 | 73% | 0.73 | S | S | * | * | trans | -99.6 | 101.8 | 172.9 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | T985 N989 | T985-V987 PolarHBondContact O-N 3.02Å; V987-N989 PolarHBondContact O-N 3.12Å | ||
| 988 | N | 27.3 | Very low | 29.2 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -68.7 | 120.1 | 173.4 | -88.3 | -4.9 | 0 | 0 | 0 | 110.4 | ||||
| 989 | N | 26.4 | Very low | 29 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -91.5 | 152.3 | 167.1 | -113.7 | -31.3 | 0 | 0 | 0 | 110.4 | V987 | V987-N989 PolarHBondContact O-N 3.12Š| ||
| 990 | S | 29.3 | Very low | 28.6 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 61.6 | 116.5 | 177.7 | 63.5 | 0 | 0 | 0 | 0 | 118.2 | ||
| 991 | Q | 27.3 | Very low | 28 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | 36.7 | 145.9 | 129.1 | -64.2 | 176.7 | -25.2 | 0 | 0 | 122.1 | |||||
| 992 | F | 28.6 | Very low | 27.8 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | trans | 95 | 136 | 170.6 | -72.5 | -84.6 | 0 | 0 | 0 | 118.5 | ||||
| 993 | N | 25.6 | Very low | 27.8 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -68.2 | 139.6 | 178.8 | -48.3 | -41.4 | 0 | 0 | 0 | 109.7 | ||||
| 994 | H | 28.6 | Very low | 28.1 | Very low | 164 Ų | 164 | 129 Ų | 129 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | -170.2 | 150.3 | 94.9 | -108.3 | -82 | 0 | 0 | 0 | 115 | |||||
| 995 | T | 27.7 | Very low | 28.7 | Very low | 111 Ų | 111 | 128 Ų | 128 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | trans | -21 | 123.1 | 160.6 | 44.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 996 | K | 25.2 | Very low | 29.8 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | 70.1 | 151.4 | 112.2 | -150.4 | -178.3 | -172.5 | -178.6 | 0 | 119 | |||||
| 997 | I | 27.4 | Very low | 31.2 | Very low | 165 Ų | 165 | 119 Ų | 119 | 85% | 0.846 | 64% | 0.64 | S | S | * | * | trans | 97.5 | 130.3 | 164.4 | -54.9 | 161.8 | 0 | 0 | 0 | 116.1 | ||||
| 998 | G | 27.9 | Very low | 32.9 | Very low | 55 Ų | 55 | 116.6 Ų | 116.6 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | trans | 95.2 | 99.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | L1000 | G998-L1000 PolarHBondContact O-N 3.15Š| ||
| 999 | K | 27.9 | Very low | 35.1 | Very low | 163 Ų | 163 | 110.4 Ų | 110.4 | 71% | 0.709 | 59% | 0.591 | S | S | * | * | trans | -68.2 | 105.8 | 142.9 | -88.4 | -173.4 | 176.7 | 177.8 | 0 | 106.7 | S1001 | K999-S1001 PolarHBondContact O-N 2.85Å; K999-S1001 VanDerWaalsContact O-N 3.17Å | ||
| 1000 | L | 28.9 | Very low | 37.7 | Very low | 135 Ų | 135 | 104.9 Ų | 104.9 | 71% | 0.707 | 56% | 0.56 | S | S | * | * | trans | -66.2 | 110.2 | 157.8 | -99.7 | 68.5 | 0 | 0 | 0 | 106.4 | G998 | G998-L1000 PolarHBondContact O-N 3.15Š| ||
| 1001 | S | 27.9 | Very low | 40.3 | Very low | 24 Ų | 24 | 99.9 Ų | 99.9 | 17% | 0.168 | 53% | 0.526 | C | S | . | . | 51 | 96.1 | 80.8 | 164.4 | 0 | 0 | 0 | 0 | 109.3 | K999 H1122 S1123 T1124 | K999-S1001 PolarHBondContact O-N 2.85Å; K999-S1001 VanDerWaalsContact O-N 3.17Å; S1001-H1122 PolarHBondContact OG-ND1 2.82Å; S1001-S1123 WeakPolarHBondContact OG-CA 3.27Å; S1001-S1123 PolarHBondContact OG-N 3.33Å; S1001-S1123 PolarHBondContact OG-OG 3.22Å; S1001-T1124 WeakPolarHBondContact CA-OG1 3.37Å; S1001-T1124 PolarHBondContact N-OG1 2.88Å | |||
| 1002 | S | 30.5 | Very low | 43.1 | Very low | 53 Ų | 53 | 96 Ų | 96 | 37% | 0.371 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -49.4 | -161.6 | -164.3 | 77.3 | 0 | 0 | 0 | 0 | 120.7 | A1004 V1121 H1122 S1123 | S1002-A1004 VanDerWaalsContact C-N 3.29Å; S1002-A1004 PolarHBondContact O-N 2.77Å; S1002-V1121 CarbonylContact O-C 3.58Å; S1002-H1122 CarbonylContact O-C 3.52Å; S1002-H1122 WeakPolarHBondContact O-CA 3.47Å; S1002-H1122 PolarHBondContact O-N 3.27Å; S1002-S1123 WeakPolarHBondContact CB-O 3.48Å; S1002-S1123 PolarHBondContact N-O 3.35Å; S1002-S1123 PolarHBondContact OG-N 3.03Å; S1002-S1123 PolarHBondContact OG-O 2.82Å |
| 1003 | S | 31.8 | Very low | 45.8 | Very low | 71 Ų | 71 | 86.9 Ų | 86.9 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | trans | 51.8 | 22.8 | 166.5 | 41.7 | 0 | 0 | 0 | 0 | 119.4 | S1120 V1121 H1122 | S1003-S1120 CarbonylContact O-C 3.52Å; S1003-V1121 VanDerWaalsContact CB-O 3.23Å; S1003-V1121 WeakPolarHBondContact CB-O 3.31Å; S1003-V1121 PolarHBondContact O-N 3.27Å; S1003-V1121 PolarHBondContact OG-O 2.79Å; S1003-H1122 VanDerWaalsContact OG-C 3.31Å; S1003-H1122 PolarHBondContact OG-O 2.89Å | ||
| 1004 | A | 32.9 | Very low | 48.7 | Very low | 64 Ų | 64 | 85.1 Ų | 85.1 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | trans | -74.7 | 128.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1002 I1006 | S1002-A1004 VanDerWaalsContact C-N 3.29Å; S1002-A1004 PolarHBondContact O-N 2.77Å; A1004-I1006 PolarHBondContact O-N 2.87Å | ||
| 1005 | K | 40.7 | Very low | 51.2 | Low | 154 Ų | 154 | 79 Ų | 79 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | trans | -80.9 | 103.5 | 174.1 | -85.5 | 179.8 | 170.9 | -178.8 | 0 | 109 | S1007 T1119 | K1005-S1007 PolarHBondContact O-N 2.76Å; K1005-T1119 VanDerWaalsContact CB-OG1 3.3Å; K1005-T1119 WeakPolarHBondContact CB-OG1 3.27Å; K1005-T1119 HydrophobicContact CD-CG2 4.12Å; K1005-T1119 WeakPolarHBondContact CD-OG1 3.42Å; K1005-T1119 PolarHBondContact N-O 2.94Å | ||
| 1006 | I | 48.7 | Very low | 53.9 | Low | 114 Ų | 114 | 74.4 Ų | 74.4 | 59% | 0.585 | 39% | 0.393 | S | S | * | . | trans | -67.6 | 130.1 | 176.5 | -57.4 | 175.1 | 0 | 0 | 0 | 109.2 | A1004 V1008 | A1004-I1006 PolarHBondContact O-N 2.87Å; I1006-V1008 HydrophobicContact CG2-CG2 4.4Å | ||
| 1007 | S | 56.7 | Low | 56.5 | Low | 23 Ų | 23 | 72.1 Ų | 72.1 | 16% | 0.161 | 40% | 0.396 | C | S | . | . | trans | -71.7 | 126.7 | 169.9 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | K1005 Y1086 D1087 L1088 V1116 | K1005-S1007 PolarHBondContact O-N 2.76Å; S1007-Y1086 WeakPolarHBondContact O-CA 3.22Å; S1007-D1087 PolarHBondContact O-N 3.36Å; S1007-L1088 PolarHBondContact OG-N 3.18Å; S1007-L1088 PolarHBondContact OG-O 3.32Å; S1007-V1116 VanDerWaalsContact CB-CG1 3.44Å | ||
| 1008 | V | 63.7 | Low | 59.1 | Low | 56 Ų | 56 | 70.1 Ų | 70.1 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.4 | 177.8 | -166.4 | 0 | 0 | 0 | 0 | 109.8 | I1006 Q1084 L1085 Y1086 | I1006-V1008 HydrophobicContact CG2-CG2 4.4Å; V1008-Q1084 HydrophobicContact CG1-CB 3.97Å; V1008-Q1084 HydrophobicContact CG1-CG 4.04Å; V1008-L1085 WeakPolarHBondContact CA-O 3.4Å; V1008-Y1086 HydrophobicContact CB-CD1 4.5Å; V1008-Y1086 HydrophobicContact CG1-CD1 3.97Å; V1008-Y1086 HydrophobicContact CG1-CE1 3.91Å; V1008-Y1086 HydrophobicContact CG2-CD1 3.87Å; V1008-Y1086 HydrophobicContact CG2-CE1 4.27Å |
| 1009 | K | 73.6 | Confident | 61.7 | Low | 24 Ų | 24 | 68.6 Ų | 68.6 | 10% | 0.104 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126 | 169.4 | -70.9 | -61.1 | -169.1 | -175.6 | 0 | 110.1 | D950 Q1084 L1085 L1088 F1114 K1115 V1116 | D950-K1009 VanDerWaalsContact OD1-CD 3.28Å; D950-K1009 WeakPolarHBondContact OD1-CD 3.34Å; D950-K1009 IonicContact OD1-NZ 2.71Å; D950-K1009 PolarHBondContact OD1-NZ 3.04Å; D950-K1009 IonicContact OD2-NZ 2.69Å; D950-K1009 PolarHBondContact OD2-NZ 2.82Å; K1009-Q1084 WeakPolarHBondContact O-CA 3.24Å; K1009-L1085 PolarHBondContact N-O 3.49Å; K1009-L1085 PolarHBondContact O-N 3.15Å; K1009-L1088 HydrophobicContact CB-CD1 4.11Å; K1009-L1088 HydrophobicContact CG-CD1 4.09Å; K1009-F1114 HydrophobicContact CG-CD2 4.02Å; K1009-F1114 HydrophobicContact CG-CE2 4.18Å; K1009-K1115 WeakPolarHBondContact CE-O 3.28Å; K1009-K1115 PolarHBondContact NZ-O 2.88Å; K1009-K1115 VanDerWaalsContact NZ-O 3.13Å; K1009-V1116 HydrophobicContact CG-CG2 4.13Å |
| 1010 | Q | 80.9 | Confident | 64.4 | Low | 30 Ų | 30 | 61 Ų | 61 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.9 | 175.4 | -167.9 | -177.8 | 20.7 | 0 | 0 | 110.6 | L948 V949 S1082 V1083 Q1084 | L948-Q1010 WeakPolarHBondContact CA-O 3.34Å; V949-Q1010 HydrophobicContact CB-CB 4.23Å; V949-Q1010 PolarHBondContact N-O 3.16Å; V949-Q1010 PolarHBondContact O-N 3.35Å; Q1010-S1082 PolarHBondContact NE2-OG 3.04Å; Q1010-S1082 VanDerWaalsContact NE2-OG 3.11Å; Q1010-V1083 WeakPolarHBondContact CA-O 3.32Å; Q1010-Q1084 HydrophobicContact CB-CG 4.05Å; Q1010-Q1084 HydrophobicContact CG-CG 4.01Å |
| 1011 | L | 83.6 | Confident | 66.8 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137 | 170.1 | -53.1 | -177.9 | 0 | 0 | 0 | 108.6 | L948 W1013 I1028 S1082 V1083 L1085 F1095 F1114 | L948-L1011 HydrophobicContact CD2-CD2 3.46Å; L948-L1011 VanDerWaalsContact CD2-CD2 3.46Å; L948-L1011 HydrophobicContact CG-CD2 3.77Å; L1011-W1013 HydrophobicContact CB-CZ3 4.41Å; L1011-I1028 HydrophobicContact CD1-CD1 4.46Å; L1011-S1082 CarbonylContact O-C 3.46Å; L1011-S1082 WeakPolarHBondContact O-CA 3.41Å; L1011-S1082 VanDerWaalsContact O-CB 3.24Å; L1011-S1082 WeakPolarHBondContact O-CB 3.33Å; L1011-V1083 HydrophobicContact CB-CG1 4.04Å; L1011-V1083 HydrophobicContact CD1-CG1 4.35Å; L1011-V1083 HydrophobicContact CG-CG1 4.41Å; L1011-V1083 PolarHBondContact N-O 2.98Å; L1011-V1083 PolarHBondContact O-N 3.22Å; L1011-L1085 HydrophobicContact CD1-CD1 3.88Å; L1011-L1085 HydrophobicContact CD1-CG 4.47Å; L1011-L1085 HydrophobicContact CG-CD1 4.29Å; L1011-F1095 HydrophobicContact CD1-CD2 3.96Å; L1011-F1095 HydrophobicContact CD1-CE1 4.41Å; L1011-F1095 HydrophobicContact CD1-CE2 3.82Å; L1011-F1095 HydrophobicContact CD1-CG 4.33Å; L1011-F1095 HydrophobicContact CD1-CZ 4.05Å; L1011-F1095 HydrophobicContact CD2-CE1 3.81Å; L1011-F1095 HydrophobicContact CD2-CE2 4.25Å; L1011-F1095 HydrophobicContact CD2-CZ 3.64Å; L1011-F1095 HydrophobicContact CG-CZ 4.38Å; L1011-F1114 HydrophobicContact CD2-CD1 4.35Å; L1011-F1114 HydrophobicContact CD2-CE1 4.44Å |
| 1012 | R | 85.3 | Confident | 69.1 | Low | 94 Ų | 94 | 58.2 Ų | 58.2 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.5 | 172.4 | 69.7 | -176.3 | -175.3 | -161.1 | 0.9 | 113 | I946 Q947 F1080 V1081 | I946-R1012 CarbonylContact C-O 3.47Å; I946-R1012 WeakPolarHBondContact CA-O 3.43Å; Q947-R1012 HydrophobicContact CB-CG 3.84Å; Q947-R1012 PolarHBondContact N-O 3.34Å; Q947-R1012 PolarHBondContact O-N 2.65Å; Q947-R1012 VanDerWaalsContact OE1-CZ 3.26Å; R1012-F1080 HydrophobicContact CB-CB 4.44Å; R1012-F1080 HydrophobicContact CB-CD1 4.33Å; R1012-F1080 HydrophobicContact CG-CD1 4.12Å; R1012-V1081 CarbonylContact C-O 3.54Å; R1012-V1081 WeakPolarHBondContact CA-O 3.28Å; R1012-V1081 WeakPolarHBondContact CB-O 3.4Å |
| 1013 | W | 87.1 | Confident | 71.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 159.5 | 178.9 | 62.6 | 101 | 0 | 0 | 0 | 111.2 | I941 I946 L1011 Y1026 I1028 L1062 F1080 V1081 V1083 I1097 | I941-W1013 HydrophobicContact CG2-CB 4.5Å; I941-W1013 HydrophobicContact CG2-CG 4.48Å; I946-W1013 HydrophobicContact CG1-CB 4.05Å; L1011-W1013 HydrophobicContact CB-CZ3 4.41Å; W1013-Y1026 HydrophobicContact CZ2-CD1 4.24Å; W1013-Y1026 HydrophobicContact CZ2-CD2 4.04Å; W1013-Y1026 AromaticContact CZ2-CG 3.84Å; W1013-Y1026 HydrophobicContact CZ2-CG 3.84Å; W1013-Y1026 AromaticContact NE1-CD1 3.61Å; W1013-Y1026 AromaticContact NE1-CE1 3.59Å; W1013-I1028 HydrophobicContact CH2-CD1 3.85Å; W1013-I1028 HydrophobicContact CZ3-CD1 4.09Å; W1013-L1062 HydrophobicContact CH2-CD1 3.7Å; W1013-L1062 HydrophobicContact CZ2-CD1 4.33Å; W1013-F1080 CarbonylContact O-C 3.57Å; W1013-F1080 WeakPolarHBondContact O-CA 3.45Å; W1013-V1081 HydrophobicContact CD2-CB 4.23Å; W1013-V1081 HydrophobicContact CD2-CG1 4.48Å; W1013-V1081 HydrophobicContact CH2-CB 4.45Å; W1013-V1081 HydrophobicContact CH2-CG1 3.72Å; W1013-V1081 HydrophobicContact CZ2-CB 3.93Å; W1013-V1081 HydrophobicContact CZ2-CG1 3.34Å; W1013-V1081 HydrophobicContact CZ3-CG1 4.44Å; W1013-V1081 PolarHBondContact N-O 3.25Å; W1013-V1081 PolarHBondContact O-N 2.77Å; W1013-V1083 HydrophobicContact CH2-CG1 4.34Å; W1013-V1083 HydrophobicContact CZ3-CG1 4.13Å; W1013-I1097 HydrophobicContact CB-CD1 4.44Å; W1013-I1097 HydrophobicContact CD2-CD1 3.57Å; W1013-I1097 HydrophobicContact CE3-CD1 3.47Å; W1013-I1097 VanDerWaalsContact CE3-CD1 3.47Å; W1013-I1097 HydrophobicContact CG-CD1 4.01Å; W1013-I1097 HydrophobicContact CH2-CD1 4.49Å; W1013-I1097 HydrophobicContact CZ2-CG2 4.33Å; W1013-I1097 HydrophobicContact CZ3-CD1 3.98Å |
| 1014 | R | 85.1 | Confident | 73.5 | Confident | 98 Ų | 98 | 54 Ų | 54 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 138.8 | 171.9 | -68.9 | -174.7 | -172.5 | 137.6 | -8.8 | 109.8 | S945 D1078 F1080 | S945-R1014 PolarHBondContact OG-N 3.35Å; R1014-D1078 IonicContact CZ-OD1 3.22Å; R1014-D1078 IonicContact NE-OD1 2.7Å; R1014-D1078 PolarHBondContact NE-OD1 3.47Å; R1014-D1078 IonicContact NH2-OD1 3.19Å; R1014-D1078 PolarHBondContact NH2-OD1 3.34Å; R1014-D1078 IonicContact NH2-OD2 3.42Å; R1014-F1080 HydrophobicContact CG-CD1 4.08Å; R1014-F1080 HydrophobicContact CG-CE1 3.76Å; R1014-F1080 HydrophobicContact CG-CE2 4.28Å; R1014-F1080 HydrophobicContact CG-CG 4.46Å; R1014-F1080 HydrophobicContact CG-CZ 3.86Å |
| 1015 | P | 82.5 | Confident | 75.8 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 163.1 | 174.3 | 35 | -35.5 | 0 | 0 | 0 | 111.2 | Y1026 R1079 V1081 | P1015-Y1026 VanDerWaalsContact CB-OH 3.24Å; P1015-Y1026 WeakPolarHBondContact CB-OH 3.02Å; P1015-R1079 WeakPolarHBondContact CD-O 3.09Å; P1015-R1079 HydrophobicContact CG-CB 4.48Å; P1015-V1081 HydrophobicContact CB-CG2 4.1Å; P1015-V1081 HydrophobicContact CG-CG2 4.36Å |
| 1016 | P | 83.5 | Confident | 78 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 138.8 | 169.1 | -21.1 | 32.6 | 0 | 0 | 0 | 111.1 | D939 I941 P1019 | D939-P1016 WeakPolarHBondContact O-CG 3.33Å; I941-P1016 HydrophobicContact CG1-CG 4.4Å; P1016-P1019 HydrophobicContact CB-CB 4.35Å |
| 1017 | T | 79.5 | Confident | 79.8 | Confident | 141 Ų | 141 | 43 Ų | 43 | 87% | 0.865 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -81.8 | -33.8 | -170.6 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1018 | Q | 81.7 | Confident | 81.3 | Confident | 123 Ų | 123 | 42 Ų | 42 | 58% | 0.575 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -139.9 | 73.6 | 174.4 | -68.5 | -173.7 | -10.6 | 0 | 0 | 108.8 | H878 V938 | H878-Q1018 PolarHBondContact CE1-O 3.22Å; H878-Q1018 VanDerWaalsContact CE1-O 3.28Å; V938-Q1018 WeakPolarHBondContact CB-O 3.25Å; V938-Q1018 WeakPolarHBondContact CG2-O 3.42Å |
| 1019 | P | 82.6 | Confident | 82.4 | Confident | 24 Ų | 24 | 41 Ų | 41 | 16% | 0.156 | 21% | 0.206 | C | C | . | . | trans | -63.6 | 162.2 | 175.7 | 29.6 | -36.5 | 0 | 0 | 0 | 111 | D939 P1016 G1021 | D939-P1019 WeakPolarHBondContact OD1-CA 3.19Å; D939-P1019 WeakPolarHBondContact OD1-CB 3.31Å; P1016-P1019 HydrophobicContact CB-CB 4.35Å; P1019-G1021 PolarHBondContact O-N 3.08Å | ||
| 1020 | N | 84.7 | Confident | 82.9 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -65.9 | 99.4 | 172 | -73.3 | -56.8 | 0 | 0 | 0 | 110.1 | H878 Y879 S935 V938 D939 L1022 L1102 A1103 | H878-N1020 PolarHBondContact ND1-OD1 2.83Å; Y879-N1020 HydrophobicContact CD1-CB 4.13Å; Y879-N1020 HydrophobicContact CG-CB 4.03Å; S935-N1020 PolarHBondContact N-OD1 3.28Å; S935-N1020 PolarHBondContact O-ND2 2.72Å; S935-N1020 PolarHBondContact O-OD1 3.17Å; V938-N1020 WeakPolarHBondContact CG2-ND2 3.26Å; D939-N1020 PolarHBondContact OD1-N 3.41Å; D939-N1020 PolarHBondContact OD2-ND2 3.26Å; N1020-L1022 VanDerWaalsContact C-N 3.29Å; N1020-L1022 PolarHBondContact O-N 3.04Å; N1020-L1102 PolarHBondContact O-N 2.77Å; N1020-A1103 HydrophobicContact CB-CB 3.53Å |
| 1021 | G | 79.3 | Confident | 83 | Confident | 35 Ų | 35 | 43 Ų | 43 | 36% | 0.361 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 72.9 | -74.8 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1019 | P1019-G1021 PolarHBondContact O-N 3.08Š|
| 1022 | L | 77 | Confident | 82.9 | Confident | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.335 | 23% | 0.231 | S | C | . | . | trans | -163.9 | 139.8 | -173.9 | -175.7 | 64 | 0 | 0 | 0 | 111.9 | I682 N1020 L1024 S1101 L1102 | I682-L1022 HydrophobicContact CD1-CD2 3.43Å; I682-L1022 VanDerWaalsContact CD1-CD2 3.43Å; I682-L1022 HydrophobicContact CG1-CD2 4.29Å; N1020-L1022 VanDerWaalsContact C-N 3.29Å; N1020-L1022 PolarHBondContact O-N 3.04Å; L1022-L1024 PolarHBondContact O-N 3.3Å; L1022-S1101 CarbonylContact O-C 3.59Å; L1022-S1101 VanDerWaalsContact O-CA 3.23Å; L1022-S1101 WeakPolarHBondContact O-CA 3.31Å; L1022-L1102 HydrophobicContact CB-CD1 3.75Å; L1022-L1102 HydrophobicContact CB-CG 4.27Å; L1022-L1102 PolarHBondContact O-N 3.12Å | ||
| 1023 | T | 79.4 | Confident | 82.5 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.2 | 168 | -43.4 | 0 | 0 | 0 | 0 | 110.6 | Y1026 A1064 V1100 | T1023-Y1026 HydrophobicContact CG2-CE1 3.94Å; T1023-Y1026 HydrophobicContact CG2-CE2 4.4Å; T1023-A1064 HydrophobicContact CG2-CB 4.32Å; T1023-A1064 WeakPolarHBondContact O-CB 3.44Å; T1023-V1100 CarbonylContact C-O 3.55Å; T1023-V1100 WeakPolarHBondContact CA-O 3.33Å; T1023-V1100 WeakPolarHBondContact CG2-O 3.47Å |
| 1024 | L | 75.2 | Confident | 81.2 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.12 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -47.6 | -178.3 | -60.3 | 176 | 0 | 0 | 0 | 112.2 | I689 L1022 A1064 V1100 S1101 L1102 | I689-L1024 HydrophobicContact CG2-CB 4.48Å; I689-L1024 HydrophobicContact CG2-CD2 4.23Å; L1022-L1024 PolarHBondContact O-N 3.3Å; L1024-A1064 WeakPolarHBondContact O-CB 3.47Å; L1024-A1064 PolarHBondContact O-N 3.03Å; L1024-V1100 PolarHBondContact N-O 2.88Å; L1024-S1101 WeakPolarHBondContact CD1-O 3.39Å; L1024-L1102 HydrophobicContact CD1-CD2 4.21Å; L1024-L1102 HydrophobicContact CD2-CD2 3.87Å; L1024-L1102 HydrophobicContact CD2-CG 4.14Å; L1024-L1102 HydrophobicContact CG-CD2 4.38Å; L1024-L1102 HydrophobicContact CG-CG 4.46Å |
| 1025 | R | 80.9 | Confident | 79.4 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 161.2 | -174.5 | 58.1 | -176.7 | 167.8 | -153.7 | -5.7 | 112.1 | S696 L1062 V1100 | S696-R1025 PolarHBondContact O-NH2 3.05Å; R1025-L1062 CarbonylContact C-O 3.55Å; R1025-L1062 VanDerWaalsContact CA-O 3.22Å; R1025-L1062 WeakPolarHBondContact CA-O 3.39Å; R1025-L1062 WeakPolarHBondContact CB-O 3.3Å; R1025-V1100 HydrophobicContact CG-CB 3.84Å; R1025-V1100 HydrophobicContact CG-CG1 4.46Å; R1025-V1100 HydrophobicContact CG-CG2 4Å; R1025-V1100 PolarHBondContact O-N 3.27Å |
| 1026 | Y | 87.4 | Confident | 77.1 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.9 | 167.8 | -58.5 | -81.2 | 0 | 0 | 0 | 109.7 | I941 W1013 P1015 T1023 C1061 L1062 A1064 L1067 V1081 M1098 | I941-Y1026 HydrophobicContact CD1-CD1 3.78Å; I941-Y1026 HydrophobicContact CD1-CE1 3.93Å; W1013-Y1026 HydrophobicContact CZ2-CD1 4.24Å; W1013-Y1026 HydrophobicContact CZ2-CD2 4.04Å; W1013-Y1026 AromaticContact CZ2-CG 3.84Å; W1013-Y1026 HydrophobicContact CZ2-CG 3.84Å; W1013-Y1026 AromaticContact NE1-CD1 3.61Å; W1013-Y1026 AromaticContact NE1-CE1 3.59Å; P1015-Y1026 VanDerWaalsContact CB-OH 3.24Å; P1015-Y1026 WeakPolarHBondContact CB-OH 3.02Å; T1023-Y1026 HydrophobicContact CG2-CE1 3.94Å; T1023-Y1026 HydrophobicContact CG2-CE2 4.4Å; Y1026-C1061 CarbonylContact O-C 3.57Å; Y1026-C1061 WeakPolarHBondContact O-CA 3.4Å; Y1026-L1062 PolarHBondContact N-O 3.3Å; Y1026-L1062 PolarHBondContact O-N 3.49Å; Y1026-A1064 HydrophobicContact CD2-CB 4.11Å; Y1026-A1064 HydrophobicContact CE2-CB 3.61Å; Y1026-L1067 HydrophobicContact CD2-CD1 3.81Å; Y1026-L1067 HydrophobicContact CE2-CD1 4.05Å; Y1026-V1081 HydrophobicContact CD2-CG1 4.37Å; Y1026-V1081 HydrophobicContact CE2-CG1 4.18Å; Y1026-V1081 HydrophobicContact CE2-CG2 4.09Å; Y1026-M1098 CarbonylContact C-O 3.58Å; Y1026-M1098 VanDerWaalsContact CA-O 3.24Å; Y1026-M1098 WeakPolarHBondContact CA-O 3.28Å |
| 1027 | W | 86.7 | Confident | 74.5 | Confident | 68 Ų | 68 | 62 Ų | 62 | 26% | 0.258 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.7 | 163.5 | -72 | 107.3 | 0 | 0 | 0 | 109.1 | L1059 I1060 C1061 I1097 M1098 W1108 | W1027-L1059 HydrophobicContact CD2-CD2 4.21Å; W1027-L1059 HydrophobicContact CE3-CB 4.11Å; W1027-L1059 HydrophobicContact CE3-CD2 3.65Å; W1027-L1059 HydrophobicContact CZ3-CB 4.16Å; W1027-L1059 HydrophobicContact CZ3-CD2 4.12Å; W1027-I1060 CarbonylContact C-O 3.5Å; W1027-I1060 WeakPolarHBondContact CA-O 3.35Å; W1027-C1061 HydrophobicContact CD2-CB 4.15Å; W1027-C1061 HydrophobicContact CE3-CB 3.65Å; W1027-C1061 HydrophobicContact CH2-CB 3.83Å; W1027-C1061 HydrophobicContact CZ2-CB 4.28Å; W1027-C1061 HydrophobicContact CZ3-CB 3.5Å; W1027-C1061 VanDerWaalsContact CZ3-CB 3.5Å; W1027-I1097 CarbonylContact O-C 3.51Å; W1027-I1097 VanDerWaalsContact O-CA 3.28Å; W1027-I1097 WeakPolarHBondContact O-CA 3.49Å; W1027-M1098 HydrophobicContact CB-CB 4.46Å; W1027-M1098 PolarHBondContact N-O 2.66Å; W1027-M1098 PolarHBondContact O-N 3.01Å; W1027-W1108 HydrophobicContact CB-CH2 3.82Å; W1027-W1108 HydrophobicContact CB-CZ3 4.26Å |
| 1028 | I | 86.6 | Confident | 72.3 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.6 | 167 | -56 | -179.7 | 0 | 0 | 0 | 107 | L1011 W1013 L1059 I1060 L1062 V1083 F1095 Q1096 I1097 | L1011-I1028 HydrophobicContact CD1-CD1 4.46Å; W1013-I1028 HydrophobicContact CH2-CD1 3.85Å; W1013-I1028 HydrophobicContact CZ3-CD1 4.09Å; I1028-L1059 CarbonylContact O-C 3.38Å; I1028-L1059 WeakPolarHBondContact O-CA 3.33Å; I1028-I1060 HydrophobicContact CB-CB 4.46Å; I1028-I1060 PolarHBondContact N-O 3.27Å; I1028-I1060 PolarHBondContact O-N 2.69Å; I1028-L1062 HydrophobicContact CD1-CD1 3.66Å; I1028-L1062 HydrophobicContact CG1-CD1 4.33Å; I1028-V1083 HydrophobicContact CD1-CG1 3.71Å; I1028-F1095 HydrophobicContact CG2-CB 4.43Å; I1028-F1095 HydrophobicContact CG2-CD2 4.3Å; I1028-Q1096 CarbonylContact C-O 3.56Å; I1028-Q1096 WeakPolarHBondContact CA-O 3.41Å; I1028-I1097 HydrophobicContact CG1-CG1 4.16Å; I1028-I1097 HydrophobicContact CG1-CG2 4.17Å |
| 1029 | R | 86.8 | Confident | 69.8 | Low | 34 Ų | 34 | 61.9 Ų | 61.9 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.7 | 170.5 | 72.4 | 179.5 | -177.3 | -174.9 | 5.3 | 109.8 | E1054 W1057 S1058 L1059 F1095 Q1096 W1108 | R1029-E1054 IonicContact NH1-OE1 2.71Å; R1029-E1054 PolarHBondContact NH1-OE1 2.76Å; R1029-W1057 HydrophobicContact CB-CB 4.12Å; R1029-W1057 HydrophobicContact CB-CD2 4.45Å; R1029-W1057 HydrophobicContact CB-CE3 4.16Å; R1029-W1057 HydrophobicContact CB-CG 4.49Å; R1029-W1057 HydrophobicContact CG-CD2 4.07Å; R1029-W1057 HydrophobicContact CG-CE3 3.81Å; R1029-W1057 HydrophobicContact CG-CG 4.44Å; R1029-W1057 HydrophobicContact CG-CZ3 4.32Å; R1029-S1058 CarbonylContact C-O 3.55Å; R1029-S1058 WeakPolarHBondContact CA-O 3.47Å; R1029-L1059 HydrophobicContact CB-CG 4.05Å; R1029-F1095 CarbonylContact O-C 3.54Å; R1029-F1095 WeakPolarHBondContact O-CA 3.35Å; R1029-F1095 WeakPolarHBondContact O-CB 3.48Å; R1029-Q1096 HydrophobicContact CG-CB 4.07Å; R1029-Q1096 VanDerWaalsContact CZ-OE1 3.3Å; R1029-Q1096 PolarHBondContact N-O 3.14Å; R1029-Q1096 PolarHBondContact O-N 2.89Å; R1029-W1108 HydrophobicContact CB-CH2 3.8Å; R1029-W1108 HydrophobicContact CB-CZ3 4.03Å; R1029-W1108 HydrophobicContact CG-CE3 4.13Å; R1029-W1108 HydrophobicContact CG-CH2 3.74Å; R1029-W1108 HydrophobicContact CG-CZ2 4.27Å; R1029-W1108 HydrophobicContact CG-CZ3 3.65Å |
| 1030 | Y | 85 | Confident | 67.5 | Low | 52 Ų | 52 | 67.8 Ų | 67.8 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 151.1 | -178 | 75 | -71.6 | 0 | 0 | 0 | 112.9 | S1058 I1060 L1088 Y1093 E1094 | Y1030-S1058 WeakPolarHBondContact CD1-O 3.47Å; Y1030-S1058 PolarHBondContact N-O 3.47Å; Y1030-S1058 PolarHBondContact O-N 2.84Å; Y1030-I1060 HydrophobicContact CD1-CD1 3.97Å; Y1030-I1060 HydrophobicContact CD1-CG1 4.34Å; Y1030-I1060 HydrophobicContact CE1-CD1 3.57Å; Y1030-I1060 HydrophobicContact CE1-CG1 3.8Å; Y1030-L1088 HydrophobicContact CE2-CD2 4.04Å; Y1030-Y1093 AromaticContact CD2-CD1 3.87Å; Y1030-Y1093 HydrophobicContact CD2-CD1 3.87Å; Y1030-Y1093 HydrophobicContact CD2-CE1 4.13Å; Y1030-Y1093 HydrophobicContact CE2-CD1 4.35Å; Y1030-Y1093 HydrophobicContact CE2-CE1 4.14Å; Y1030-E1094 CarbonylContact C-O 3.54Å; Y1030-E1094 WeakPolarHBondContact CA-O 3.24Å |
| 1031 | R | 83.9 | Confident | 64.8 | Low | 45 Ų | 45 | 76.8 Ų | 76.8 | 17% | 0.17 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.5 | 175.6 | 65.3 | -178.2 | 178.8 | 179.7 | -1 | 112.2 | I1056 W1057 Y1093 E1094 | R1031-I1056 HydrophobicContact CB-CG2 4.43Å; R1031-I1056 WeakPolarHBondContact CB-O 3.39Å; R1031-W1057 HydrophobicContact CB-CD2 4.48Å; R1031-W1057 HydrophobicContact CB-CE3 4.16Å; R1031-W1057 HydrophobicContact CG-CD2 4.17Å; R1031-W1057 HydrophobicContact CG-CE3 3.87Å; R1031-W1057 HydrophobicContact CG-CH2 4.18Å; R1031-W1057 HydrophobicContact CG-CZ2 4.45Å; R1031-W1057 HydrophobicContact CG-CZ3 3.87Å; R1031-Y1093 CarbonylContact O-C 3.49Å; R1031-Y1093 VanDerWaalsContact O-CA 3.23Å; R1031-Y1093 WeakPolarHBondContact O-CA 3.02Å; R1031-E1094 HydrophobicContact CG-CG 3.76Å; R1031-E1094 IonicContact CZ-OE1 2.81Å; R1031-E1094 PolarHBondContact N-O 2.82Å; R1031-E1094 IonicContact NE-OE1 2.8Å; R1031-E1094 PolarHBondContact NE-OE1 3.04Å; R1031-E1094 IonicContact NH2-OE1 2.59Å; R1031-E1094 PolarHBondContact NH2-OE1 3.36Å; R1031-E1094 PolarHBondContact O-N 2.75Å |
| 1032 | R | 80.4 | Confident | 62.5 | Low | 105 Ų | 105 | 80.3 Ų | 80.3 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 147.4 | 173.1 | -156.5 | -176.3 | 77.9 | 160.2 | 1 | 110 | D1034 S1090 V1092 Y1093 | R1032-D1034 PolarHBondContact NH2-O 3.37Å; R1032-S1090 PolarHBondContact NH1-O 3.1Å; R1032-V1092 CarbonylContact C-O 3.46Å; R1032-V1092 WeakPolarHBondContact CA-O 3.47Å; R1032-V1092 VanDerWaalsContact CG-O 3.22Å; R1032-V1092 WeakPolarHBondContact CG-O 3.05Å; R1032-Y1093 HydrophobicContact CB-CD1 3.91Å; R1032-Y1093 HydrophobicContact CB-CE1 3.64Å; R1032-Y1093 HydrophobicContact CB-CG 4.48Å; R1032-Y1093 HydrophobicContact CG-CD1 4.23Å; R1032-Y1093 HydrophobicContact CG-CD2 4.2Å; R1032-Y1093 HydrophobicContact CG-CE1 3.95Å; R1032-Y1093 HydrophobicContact CG-CE2 3.89Å; R1032-Y1093 HydrophobicContact CG-CG 4.36Å |
| 1033 | L | 76.8 | Confident | 60.2 | Low | 76 Ų | 76 | 82.5 Ų | 82.5 | 40% | 0.398 | 45% | 0.45 | S | S | . | . | trans | -103.8 | 1.4 | -172.1 | -66.5 | 173.4 | 0 | 0 | 0 | 115 | V1092 E1094 | L1033-V1092 HydrophobicContact CD1-CG1 4.14Å; L1033-V1092 PolarHBondContact N-O 2.92Å; L1033-E1094 HydrophobicContact CD1-CB 4.46Å; L1033-E1094 HydrophobicContact CD1-CG 4.43Å; L1033-E1094 HydrophobicContact CD2-CG 4.26Å; L1033-E1094 HydrophobicContact CG-CG 4.48Å | ||
| 1034 | D | 59.8 | Low | 58 | Low | 72 Ų | 72 | 87.2 Ų | 87.2 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | trans | -112.9 | 118.8 | -169 | -44.2 | -67 | 0 | 0 | 0 | 114.3 | R1032 G1091 V1092 | R1032-D1034 PolarHBondContact NH2-O 3.37Å; D1034-G1091 WeakPolarHBondContact OD2-CA 3.34Å; D1034-V1092 PolarHBondContact OD2-N 2.76Å | ||
| 1035 | G | 47.6 | Very low | 55.9 | Low | 80 Ų | 80 | 94 Ų | 94 | 83% | 0.825 | 52% | 0.518 | S | S | * | . | trans | 106.1 | 109.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1036 | E | 34.2 | Very low | 53.4 | Low | 192 Ų | 192 | 98.8 Ų | 98.8 | 90% | 0.897 | 55% | 0.545 | S | S | * | . | trans | -96 | 162.4 | 180 | -65.4 | -175.9 | 106.2 | 0 | 0 | 114.9 | ||||
| 1037 | S | 29.4 | Very low | 50.7 | Low | 116 Ų | 116 | 103.8 Ų | 103.8 | 81% | 0.811 | 58% | 0.578 | S | S | * | * | trans | 68.6 | 150.8 | 176.1 | 78.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1038 | I | 31.9 | Very low | 48 | Very low | 159 Ų | 159 | 107.9 Ų | 107.9 | 82% | 0.815 | 61% | 0.605 | S | S | * | * | cis | -128.4 | 150.7 | 22.7 | -68.2 | 167.1 | 0 | 0 | 0 | 111.9 | ||||
| 1039 | S | 30.5 | Very low | 45.4 | Very low | 103 Ų | 103 | 110 Ų | 110 | 72% | 0.72 | 62% | 0.616 | S | S | * | * | trans | -100.1 | 138.9 | -174.3 | 58 | 0 | 0 | 0 | 0 | 116 | ||||
| 1040 | N | 33.3 | Very low | 42.6 | Very low | 148 Ų | 148 | 111.7 Ų | 111.7 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | trans | -172.6 | 140.2 | 155 | -90.4 | -54.4 | 0 | 0 | 0 | 107.7 | ||||
| 1041 | K | 28.8 | Very low | 40.2 | Very low | 192 Ų | 192 | 114.3 Ų | 114.3 | 84% | 0.835 | 66% | 0.662 | S | S | * | * | cis | -149 | 164.9 | -10 | -121.9 | 178.9 | 179.7 | -177.6 | 0 | 108.2 | ||||
| 1042 | P | 31 | Very low | 37.8 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 68% | 0.683 | S | S | * | * | trans | -111 | 178.7 | -152.8 | 42.1 | -38.8 | 0 | 0 | 0 | 118.1 | ||||
| 1043 | S | 29.6 | Very low | 36 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | 75.2 | 117.2 | 143.9 | 64.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1044 | S | 32.1 | Very low | 34.5 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | -159.7 | 141.9 | 113.6 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1045 | I | 31.1 | Very low | 33.9 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | trans | 66.2 | 101.2 | 162 | -56.5 | 163.8 | 0 | 0 | 0 | 118.3 | ||||
| 1046 | L | 28.7 | Very low | 34.5 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | -82 | -177.3 | 157.4 | -80.8 | 158.7 | 0 | 0 | 0 | 110.2 | ||||
| 1047 | P | 30.4 | Very low | 36.4 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | cis | -125.1 | -175.6 | 2.9 | 17.6 | 9.5 | 0 | 0 | 0 | 113 | ||||
| 1048 | N | 30.3 | Very low | 38.5 | Very low | 154 Ų | 154 | 117.2 Ų | 117.2 | 82% | 0.824 | 64% | 0.643 | S | S | * | * | cis | -137.1 | 117.9 | 0.1 | -130.4 | 2 | 0 | 0 | 0 | 108.7 | G1050 | N1048-G1050 PolarHBondContact O-N 2.04Š| ||
| 1049 | D | 32.5 | Very low | 40.7 | Very low | 45 Ų | 45 | 114.1 Ų | 114.1 | 24% | 0.241 | 63% | 0.628 | C | S | . | * | trans | -87.6 | 94.2 | 175.5 | -165.2 | -25.8 | 0 | 0 | 0 | 109 | N1051 H1052 R1055 | D1049-N1051 PolarHBondContact O-N 3.36Å; D1049-N1051 PolarHBondContact OD1-N 2.93Å; D1049-N1051 VanDerWaalsContact OD1-N 3.14Å; D1049-H1052 PolarHBondContact OD1-N 2.86Å; D1049-R1055 IonicContact OD2-CZ 2.75Å; D1049-R1055 IonicContact OD2-NE 3.46Å; D1049-R1055 PolarHBondContact OD2-NE 3.48Å; D1049-R1055 IonicContact OD2-NH2 2.83Å; D1049-R1055 PolarHBondContact OD2-NH2 2.95Å | ||
| 1050 | G | 28.2 | Very low | 43 | Very low | 70 Ų | 70 | 111.1 Ų | 111.1 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 7.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1048 | N1048-G1050 PolarHBondContact O-N 2.04Š|
| 1051 | N | 34.5 | Very low | 45.2 | Very low | 107 Ų | 107 | 105.1 Ų | 105.1 | 57% | 0.572 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157 | 79.3 | 168.5 | -95.1 | -35.3 | 0 | 0 | 0 | 110.5 | D1049 E1053 E1054 | D1049-N1051 PolarHBondContact O-N 3.36Å; D1049-N1051 PolarHBondContact OD1-N 2.93Å; D1049-N1051 VanDerWaalsContact OD1-N 3.14Å; N1051-E1053 PolarHBondContact O-N 3.29Å; N1051-E1054 HydrophobicContact CB-CG 4.11Å; N1051-E1054 PolarHBondContact O-N 2.84Å |
| 1052 | H | 33 | Very low | 47.4 | Very low | 131 Ų | 131 | 96.6 Ų | 96.6 | 61% | 0.606 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -10.4 | 178.1 | -102 | -72.2 | 0 | 0 | 0 | 115.6 | D1049 | D1049-H1052 PolarHBondContact OD1-N 2.86Š|
| 1053 | E | 42.6 | Very low | 49.4 | Very low | 124 Ų | 124 | 92.7 Ų | 92.7 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.3 | 170.5 | -68.8 | -154.5 | 104.3 | 0 | 0 | 115 | N1051 R1055 I1056 | N1051-E1053 PolarHBondContact O-N 3.29Å; E1053-R1055 PolarHBondContact O-N 2.93Å; E1053-I1056 PolarHBondContact O-N 3.01Å |
| 1054 | E | 45.8 | Very low | 51.4 | Low | 106 Ų | 106 | 88.5 Ų | 88.5 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -65.4 | -26.7 | -172.4 | -68 | -133.2 | 122.3 | 0 | 0 | 112.7 | R1029 N1051 I1056 W1057 | R1029-E1054 IonicContact NH1-OE1 2.71Å; R1029-E1054 PolarHBondContact NH1-OE1 2.76Å; N1051-E1054 HydrophobicContact CB-CG 4.11Å; N1051-E1054 PolarHBondContact O-N 2.84Å; E1054-I1056 PolarHBondContact O-N 2.59Å; E1054-W1057 PolarHBondContact O-N 2.94Å |
| 1055 | R | 45.9 | Very low | 52.8 | Low | 189 Ų | 189 | 87 Ų | 87 | 71% | 0.713 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -68.5 | -0.6 | -177.4 | -63.6 | -173.3 | -177.1 | -139 | -4.6 | 115.8 | D1049 E1053 | D1049-R1055 IonicContact OD2-CZ 2.75Å; D1049-R1055 IonicContact OD2-NE 3.46Å; D1049-R1055 PolarHBondContact OD2-NE 3.48Å; D1049-R1055 IonicContact OD2-NH2 2.83Å; D1049-R1055 PolarHBondContact OD2-NH2 2.95Å; E1053-R1055 PolarHBondContact O-N 2.93Å |
| 1056 | I | 61.5 | Low | 53.8 | Low | 107 Ų | 107 | 84.4 Ų | 84.4 | 55% | 0.549 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -102.3 | -10.6 | -179.2 | -49.8 | -178.7 | 0 | 0 | 0 | 111.6 | R1031 E1053 E1054 | R1031-I1056 HydrophobicContact CB-CG2 4.43Å; R1031-I1056 WeakPolarHBondContact CB-O 3.39Å; E1053-I1056 PolarHBondContact O-N 3.01Å; E1054-I1056 PolarHBondContact O-N 2.59Å |
| 1057 | W | 73.8 | Confident | 55 | Low | 30 Ų | 30 | 79.9 Ų | 79.9 | 11% | 0.114 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 127.5 | -176.1 | -60.6 | 88.9 | 0 | 0 | 0 | 112.7 | R1029 R1031 E1054 E1094 | R1029-W1057 HydrophobicContact CB-CB 4.12Å; R1029-W1057 HydrophobicContact CB-CD2 4.45Å; R1029-W1057 HydrophobicContact CB-CE3 4.16Å; R1029-W1057 HydrophobicContact CB-CG 4.49Å; R1029-W1057 HydrophobicContact CG-CD2 4.07Å; R1029-W1057 HydrophobicContact CG-CE3 3.81Å; R1029-W1057 HydrophobicContact CG-CG 4.44Å; R1029-W1057 HydrophobicContact CG-CZ3 4.32Å; R1031-W1057 HydrophobicContact CB-CD2 4.48Å; R1031-W1057 HydrophobicContact CB-CE3 4.16Å; R1031-W1057 HydrophobicContact CG-CD2 4.17Å; R1031-W1057 HydrophobicContact CG-CE3 3.87Å; R1031-W1057 HydrophobicContact CG-CH2 4.18Å; R1031-W1057 HydrophobicContact CG-CZ2 4.45Å; R1031-W1057 HydrophobicContact CG-CZ3 3.87Å; E1054-W1057 PolarHBondContact O-N 2.94Å; W1057-E1094 HydrophobicContact CH2-CG 3.86Å; W1057-E1094 HydrophobicContact CZ3-CG 4.07Å |
| 1058 | S | 73.8 | Confident | 55.6 | Low | 60 Ų | 60 | 77.6 Ų | 77.6 | 42% | 0.42 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 131.9 | 162.6 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | R1029 Y1030 | R1029-S1058 CarbonylContact C-O 3.55Å; R1029-S1058 WeakPolarHBondContact CA-O 3.47Å; Y1030-S1058 WeakPolarHBondContact CD1-O 3.47Å; Y1030-S1058 PolarHBondContact N-O 3.47Å; Y1030-S1058 PolarHBondContact O-N 2.84Å |
| 1059 | L | 77.7 | Confident | 56.3 | Low | 95 Ų | 95 | 73.7 Ų | 73.7 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.1 | 173.7 | -77.2 | 94.2 | 0 | 0 | 0 | 112.3 | W1027 I1028 R1029 W1108 | W1027-L1059 HydrophobicContact CD2-CD2 4.21Å; W1027-L1059 HydrophobicContact CE3-CB 4.11Å; W1027-L1059 HydrophobicContact CE3-CD2 3.65Å; W1027-L1059 HydrophobicContact CZ3-CB 4.16Å; W1027-L1059 HydrophobicContact CZ3-CD2 4.12Å; I1028-L1059 CarbonylContact O-C 3.38Å; I1028-L1059 WeakPolarHBondContact O-CA 3.33Å; R1029-L1059 HydrophobicContact CB-CG 4.05Å; L1059-W1108 HydrophobicContact CD2-CH2 4.31Å |
| 1060 | I | 77.7 | Confident | 56.4 | Low | 40 Ų | 40 | 77.5 Ų | 77.5 | 21% | 0.205 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.6 | 165.8 | -61.8 | 162.1 | 0 | 0 | 0 | 106.7 | W1027 I1028 Y1030 L1062 L1085 | W1027-I1060 CarbonylContact C-O 3.5Å; W1027-I1060 WeakPolarHBondContact CA-O 3.35Å; I1028-I1060 HydrophobicContact CB-CB 4.46Å; I1028-I1060 PolarHBondContact N-O 3.27Å; I1028-I1060 PolarHBondContact O-N 2.69Å; Y1030-I1060 HydrophobicContact CD1-CD1 3.97Å; Y1030-I1060 HydrophobicContact CD1-CG1 4.34Å; Y1030-I1060 HydrophobicContact CE1-CD1 3.57Å; Y1030-I1060 HydrophobicContact CE1-CG1 3.8Å; I1060-L1062 HydrophobicContact CG2-CD2 4.02Å; I1060-L1062 HydrophobicContact CG2-CG 4.16Å; I1060-L1085 HydrophobicContact CD1-CD2 3.46Å; I1060-L1085 VanDerWaalsContact CD1-CD2 3.46Å |
| 1061 | C | 80.2 | Confident | 56.7 | Low | 21 Ų | 21 | 79.9 Ų | 79.9 | 14% | 0.142 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 144.3 | 164.7 | 164.4 | 0 | 0 | 0 | 0 | 109.3 | C691 Y1026 W1027 | C691-C1061 WeakPolarHBondContact CA-SG 3.5Å; C691-C1061 HydrophobicContact CB-CB 3.5Å; C691-C1061 WeakPolarHBondContact CB-SG 3.13Å; C691-C1061 WeakPolarHBondContact SG-CB 3.4Å; C691-C1061 PolarHBondContact SG-O 3.24Å; C691-C1061 CovalentContact SG-SG 2.03Å; C691-C1061 PolarHBondContact SG-SG 3.46Å; Y1026-C1061 CarbonylContact O-C 3.57Å; Y1026-C1061 WeakPolarHBondContact O-CA 3.4Å; W1027-C1061 HydrophobicContact CD2-CB 4.15Å; W1027-C1061 HydrophobicContact CE3-CB 3.65Å; W1027-C1061 HydrophobicContact CH2-CB 3.83Å; W1027-C1061 HydrophobicContact CZ2-CB 4.28Å; W1027-C1061 HydrophobicContact CZ3-CB 3.5Å; W1027-C1061 VanDerWaalsContact CZ3-CB 3.5Å |
| 1062 | L | 75.8 | Confident | 56.5 | Low | 13 Ų | 13 | 81.6 Ų | 81.6 | 7% | 0.068 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118.7 | 174.8 | -60.5 | 169.7 | 0 | 0 | 0 | 109.3 | C691 W1013 R1025 Y1026 I1028 I1060 A1064 L1067 V1083 | C691-L1062 PolarHBondContact SG-N 2.79Å; C691-L1062 VanDerWaalsContact SG-N 3.44Å; W1013-L1062 HydrophobicContact CH2-CD1 3.7Å; W1013-L1062 HydrophobicContact CZ2-CD1 4.33Å; R1025-L1062 CarbonylContact C-O 3.55Å; R1025-L1062 VanDerWaalsContact CA-O 3.22Å; R1025-L1062 WeakPolarHBondContact CA-O 3.39Å; R1025-L1062 WeakPolarHBondContact CB-O 3.3Å; Y1026-L1062 PolarHBondContact N-O 3.3Å; Y1026-L1062 PolarHBondContact O-N 3.49Å; I1028-L1062 HydrophobicContact CD1-CD1 3.66Å; I1028-L1062 HydrophobicContact CG1-CD1 4.33Å; I1060-L1062 HydrophobicContact CG2-CD2 4.02Å; I1060-L1062 HydrophobicContact CG2-CG 4.16Å; L1062-A1064 PolarHBondContact O-N 2.98Å; L1062-L1067 HydrophobicContact CB-CD1 3.99Å; L1062-V1083 HydrophobicContact CD1-CB 3.79Å; L1062-V1083 HydrophobicContact CD1-CG1 4.05Å; L1062-V1083 HydrophobicContact CD1-CG2 4.09Å; L1062-V1083 HydrophobicContact CD2-CB 4.42Å; L1062-V1083 HydrophobicContact CD2-CG2 3.88Å |
| 1063 | N | 73.2 | Confident | 56.5 | Low | 28 Ų | 28 | 83.8 Ų | 83.8 | 15% | 0.15 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 117.2 | 171.6 | -74.1 | 3.2 | 0 | 0 | 0 | 109.3 | S690 C691 I1065 N1066 L1067 | S690-N1063 WeakPolarHBondContact CA-OD1 3.5Å; C691-N1063 PolarHBondContact N-OD1 3.26Å; C691-N1063 VanDerWaalsContact N-OD1 3.17Å; C691-N1063 PolarHBondContact SG-OD1 3.06Å; N1063-I1065 PolarHBondContact O-N 3.09Å; N1063-N1066 HydrophobicContact CB-CB 4.11Å; N1063-N1066 PolarHBondContact O-N 3.02Å; N1063-N1066 VanDerWaalsContact O-N 3.12Å; N1063-L1067 WeakPolarHBondContact O-CD1 3.34Å |
| 1064 | A | 71.4 | Confident | 56.1 | Low | 23 Ų | 23 | 85.6 Ų | 85.6 | 19% | 0.19 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -62.6 | -26.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1023 L1024 Y1026 L1062 N1066 | T1023-A1064 HydrophobicContact CG2-CB 4.32Å; T1023-A1064 WeakPolarHBondContact O-CB 3.44Å; L1024-A1064 WeakPolarHBondContact O-CB 3.47Å; L1024-A1064 PolarHBondContact O-N 3.03Å; Y1026-A1064 HydrophobicContact CD2-CB 4.11Å; Y1026-A1064 HydrophobicContact CE2-CB 3.61Å; L1062-A1064 PolarHBondContact O-N 2.98Å; A1064-N1066 VanDerWaalsContact C-N 3.34Å; A1064-N1066 PolarHBondContact O-N 3.42Å |
| 1065 | I | 60.9 | Low | 55.6 | Low | 78 Ų | 78 | 84.8 Ų | 84.8 | 40% | 0.4 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -67.8 | -29.3 | 177.8 | -60.4 | 159.7 | 0 | 0 | 0 | 112.6 | I682 I689 N1063 | I682-I1065 HydrophobicContact CD1-CD1 3.61Å; I682-I1065 HydrophobicContact CD1-CG1 3.88Å; I682-I1065 HydrophobicContact CG1-CD1 4.48Å; I682-I1065 HydrophobicContact CG2-CD1 4.24Å; I689-I1065 HydrophobicContact CG2-CD1 3.53Å; N1063-I1065 PolarHBondContact O-N 3.09Å |
| 1066 | N | 52.2 | Low | 55.2 | Low | 114 Ų | 114 | 82 Ų | 82 | 61% | 0.61 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -99.4 | 1 | -175.1 | -67 | 10.4 | 0 | 0 | 0 | 113.1 | N1063 A1064 | N1063-N1066 HydrophobicContact CB-CB 4.11Å; N1063-N1066 PolarHBondContact O-N 3.02Å; N1063-N1066 VanDerWaalsContact O-N 3.12Å; A1064-N1066 VanDerWaalsContact C-N 3.34Å; A1064-N1066 PolarHBondContact O-N 3.42Å |
| 1067 | L | 52.8 | Low | 54.3 | Low | 30 Ų | 30 | 81.8 Ų | 81.8 | 16% | 0.157 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -87.2 | 124.4 | -174.9 | -82 | 157.9 | 0 | 0 | 0 | 110.7 | Y1026 L1062 N1063 V1069 V1081 S1082 | Y1026-L1067 HydrophobicContact CD2-CD1 3.81Å; Y1026-L1067 HydrophobicContact CE2-CD1 4.05Å; L1062-L1067 HydrophobicContact CB-CD1 3.99Å; N1063-L1067 WeakPolarHBondContact O-CD1 3.34Å; L1067-V1069 PolarHBondContact O-N 3.42Å; L1067-V1081 HydrophobicContact CB-CG1 4.26Å; L1067-V1081 HydrophobicContact CD1-CG1 3.39Å; L1067-V1081 HydrophobicContact CD2-CG1 3.91Å; L1067-V1081 HydrophobicContact CG-CG1 4.04Å; L1067-S1082 WeakPolarHBondContact CD2-O 3.24Å |
| 1068 | P | 43.8 | Very low | 53.3 | Low | 64 Ų | 64 | 83.3 Ų | 83.3 | 42% | 0.416 | 46% | 0.463 | S | S | . | . | trans | -67.7 | 117.1 | 178.6 | 29 | -35.7 | 0 | 0 | 0 | 110 | M981 L1070 | M981-P1068 HydrophobicContact CE-CB 3.77Å; M981-P1068 HydrophobicContact CE-CG 3.61Å; M981-P1068 HydrophobicContact SD-CB 4.21Å; P1068-L1070 PolarHBondContact O-N 3.39Å | ||
| 1069 | V | 44.5 | Very low | 52.7 | Low | 72 Ų | 72 | 87.3 Ų | 87.3 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | trans | -75.8 | 109.8 | 169.1 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | L1067 I1071 R1079 | L1067-V1069 PolarHBondContact O-N 3.42Å; V1069-I1071 VanDerWaalsContact C-N 3.29Å; V1069-I1071 HydrophobicContact CB-CG1 4.31Å; V1069-I1071 HydrophobicContact CG1-CG1 3.76Å; V1069-I1071 PolarHBondContact O-N 3.31Å; V1069-R1079 HydrophobicContact CG1-CB 4.02Å; V1069-R1079 HydrophobicContact CG1-CG 3.85Å | ||
| 1070 | L | 34.5 | Very low | 52.4 | Low | 125 Ų | 125 | 84.5 Ų | 84.5 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | trans | -69.8 | 85.4 | 171.3 | -99.7 | 162.3 | 0 | 0 | 0 | 109.9 | P1068 N1072 | P1068-L1070 PolarHBondContact O-N 3.39Å; L1070-N1072 PolarHBondContact O-N 3.02Å; L1070-N1072 VanDerWaalsContact O-N 3.1Å | ||
| 1071 | I | 34.2 | Very low | 52.2 | Low | 121 Ų | 121 | 83.2 Ų | 83.2 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | trans | -78.4 | 89.8 | 175.1 | -56.7 | 175.8 | 0 | 0 | 0 | 108.7 | V1069 Q1073 | V1069-I1071 VanDerWaalsContact C-N 3.29Å; V1069-I1071 HydrophobicContact CB-CG1 4.31Å; V1069-I1071 HydrophobicContact CG1-CG1 3.76Å; V1069-I1071 PolarHBondContact O-N 3.31Å; I1071-Q1073 PolarHBondContact O-N 2.99Å | ||
| 1072 | N | 30.7 | Very low | 51.9 | Low | 142 Ų | 142 | 83.4 Ų | 83.4 | 76% | 0.759 | 45% | 0.448 | S | S | * | . | trans | -76.5 | 110.7 | 170.4 | -155 | -3.1 | 0 | 0 | 0 | 108.7 | L1070 N1074 | L1070-N1072 PolarHBondContact O-N 3.02Å; L1070-N1072 VanDerWaalsContact O-N 3.1Å; N1072-N1074 PolarHBondContact O-N 2.88Å | ||
| 1073 | Q | 33.6 | Very low | 51.9 | Low | 177 Ų | 177 | 83.8 Ų | 83.8 | 83% | 0.827 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 1.7 | -148.8 | -72.3 | -173 | -21.6 | 0 | 0 | 118.2 | I1071 | I1071-Q1073 PolarHBondContact O-N 2.99Š|
| 1074 | N | 35 | Very low | 52.1 | Low | 162 Ų | 162 | 85.5 Ų | 85.5 | 87% | 0.866 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -3.2 | -173.7 | -81.4 | -34.1 | 0 | 0 | 0 | 116.5 | N1072 | N1072-N1074 PolarHBondContact O-N 2.88Š|
| 1075 | T | 34.6 | Very low | 52.3 | Low | 89 Ų | 89 | 85 Ų | 85 | 55% | 0.546 | 45% | 0.452 | S | S | . | . | trans | -142.2 | 136.3 | 166.4 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | T1077 | T1075-T1077 PolarHBondContact O-N 3.05Š| ||
| 1076 | V | 36.9 | Very low | 52.8 | Low | 132 Ų | 132 | 87.9 Ų | 87.9 | 80% | 0.8 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7.3 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1077 | T | 43.1 | Very low | 53.5 | Low | 102 Ų | 102 | 89 Ų | 89 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -16.8 | -166.4 | 46.2 | 0 | 0 | 0 | 0 | 116 | T1075 | T1075-T1077 PolarHBondContact O-N 3.05Š|
| 1078 | D | 51.6 | Low | 54.3 | Low | 62 Ų | 62 | 88.2 Ų | 88.2 | 33% | 0.332 | 46% | 0.461 | S | S | . | . | trans | -119.5 | 56.4 | -170.2 | -83.4 | -55.8 | 0 | 0 | 0 | 114.3 | R1014 F1080 | R1014-D1078 IonicContact CZ-OD1 3.22Å; R1014-D1078 IonicContact NE-OD1 2.7Å; R1014-D1078 PolarHBondContact NE-OD1 3.47Å; R1014-D1078 IonicContact NH2-OD1 3.19Å; R1014-D1078 PolarHBondContact NH2-OD1 3.34Å; R1014-D1078 IonicContact NH2-OD2 3.42Å; D1078-F1080 HydrophobicContact CB-CD2 4.32Å; D1078-F1080 HydrophobicContact CB-CE2 3.96Å; D1078-F1080 PolarHBondContact O-N 2.73Å; D1078-F1080 WeakPolarHBondContact OD1-CE2 3.43Å | ||
| 1079 | R | 62.3 | Low | 55.4 | Low | 143 Ų | 143 | 94.3 Ų | 94.3 | 54% | 0.54 | 48% | 0.476 | S | S | . | . | trans | -73.5 | 112.4 | 161.6 | -60.2 | -175.9 | -167.4 | -163.7 | 3.5 | 108.9 | P1015 V1069 | P1015-R1079 WeakPolarHBondContact CD-O 3.09Å; P1015-R1079 HydrophobicContact CG-CB 4.48Å; V1069-R1079 HydrophobicContact CG1-CB 4.02Å; V1069-R1079 HydrophobicContact CG1-CG 3.85Å | ||
| 1080 | F | 72.1 | Confident | 56.5 | Low | 37 Ų | 37 | 93.2 Ų | 93.2 | 16% | 0.162 | 47% | 0.471 | C | S | . | . | trans | -107.1 | 137.1 | 168 | -74 | -94.6 | 0 | 0 | 0 | 110.7 | S945 R1012 W1013 R1014 D1078 | S945-F1080 WeakPolarHBondContact O-CE1 3.07Å; R1012-F1080 HydrophobicContact CB-CB 4.44Å; R1012-F1080 HydrophobicContact CB-CD1 4.33Å; R1012-F1080 HydrophobicContact CG-CD1 4.12Å; W1013-F1080 CarbonylContact O-C 3.57Å; W1013-F1080 WeakPolarHBondContact O-CA 3.45Å; R1014-F1080 HydrophobicContact CG-CD1 4.08Å; R1014-F1080 HydrophobicContact CG-CE1 3.76Å; R1014-F1080 HydrophobicContact CG-CE2 4.28Å; R1014-F1080 HydrophobicContact CG-CG 4.46Å; R1014-F1080 HydrophobicContact CG-CZ 3.86Å; D1078-F1080 HydrophobicContact CB-CD2 4.32Å; D1078-F1080 HydrophobicContact CB-CE2 3.96Å; D1078-F1080 PolarHBondContact O-N 2.73Å; D1078-F1080 WeakPolarHBondContact OD1-CE2 3.43Å | ||
| 1081 | V | 73.2 | Confident | 58.5 | Low | 12 Ų | 12 | 87.9 Ų | 87.9 | 7% | 0.073 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 142.3 | 161 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | R1012 W1013 P1015 Y1026 L1067 | R1012-V1081 CarbonylContact C-O 3.54Å; R1012-V1081 WeakPolarHBondContact CA-O 3.28Å; R1012-V1081 WeakPolarHBondContact CB-O 3.4Å; W1013-V1081 HydrophobicContact CD2-CB 4.23Å; W1013-V1081 HydrophobicContact CD2-CG1 4.48Å; W1013-V1081 HydrophobicContact CH2-CB 4.45Å; W1013-V1081 HydrophobicContact CH2-CG1 3.72Å; W1013-V1081 HydrophobicContact CZ2-CB 3.93Å; W1013-V1081 HydrophobicContact CZ2-CG1 3.34Å; W1013-V1081 HydrophobicContact CZ3-CG1 4.44Å; W1013-V1081 PolarHBondContact N-O 3.25Å; W1013-V1081 PolarHBondContact O-N 2.77Å; P1015-V1081 HydrophobicContact CB-CG2 4.1Å; P1015-V1081 HydrophobicContact CG-CG2 4.36Å; Y1026-V1081 HydrophobicContact CD2-CG1 4.37Å; Y1026-V1081 HydrophobicContact CE2-CG1 4.18Å; Y1026-V1081 HydrophobicContact CE2-CG2 4.09Å; L1067-V1081 HydrophobicContact CB-CG1 4.26Å; L1067-V1081 HydrophobicContact CD1-CG1 3.39Å; L1067-V1081 HydrophobicContact CD2-CG1 3.91Å; L1067-V1081 HydrophobicContact CG-CG1 4.04Å |
| 1082 | S | 74.2 | Confident | 60.7 | Low | 26 Ų | 26 | 84.2 Ų | 84.2 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 154.1 | 173.5 | 79.7 | 0 | 0 | 0 | 0 | 113.8 | Q1010 L1011 L1067 | Q1010-S1082 PolarHBondContact NE2-OG 3.04Å; Q1010-S1082 VanDerWaalsContact NE2-OG 3.11Å; L1011-S1082 CarbonylContact O-C 3.46Å; L1011-S1082 WeakPolarHBondContact O-CA 3.41Å; L1011-S1082 VanDerWaalsContact O-CB 3.24Å; L1011-S1082 WeakPolarHBondContact O-CB 3.33Å; L1067-S1082 WeakPolarHBondContact CD2-O 3.24Å |
| 1083 | V | 75.6 | Confident | 63.3 | Low | 20 Ų | 20 | 78.3 Ų | 78.3 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 140.2 | 171.8 | 64.7 | 0 | 0 | 0 | 0 | 109.6 | Q1010 L1011 W1013 I1028 L1062 L1085 | Q1010-V1083 WeakPolarHBondContact CA-O 3.32Å; L1011-V1083 HydrophobicContact CB-CG1 4.04Å; L1011-V1083 HydrophobicContact CD1-CG1 4.35Å; L1011-V1083 HydrophobicContact CG-CG1 4.41Å; L1011-V1083 PolarHBondContact N-O 2.98Å; L1011-V1083 PolarHBondContact O-N 3.22Å; W1013-V1083 HydrophobicContact CH2-CG1 4.34Å; W1013-V1083 HydrophobicContact CZ3-CG1 4.13Å; I1028-V1083 HydrophobicContact CD1-CG1 3.71Å; L1062-V1083 HydrophobicContact CD1-CB 3.79Å; L1062-V1083 HydrophobicContact CD1-CG1 4.05Å; L1062-V1083 HydrophobicContact CD1-CG2 4.09Å; L1062-V1083 HydrophobicContact CD2-CB 4.42Å; L1062-V1083 HydrophobicContact CD2-CG2 3.88Å; V1083-L1085 HydrophobicContact CG1-CD2 4.38Å; V1083-L1085 HydrophobicContact CG2-CD2 4.34Å |
| 1084 | Q | 77.5 | Confident | 66 | Low | 64 Ų | 64 | 70.2 Ų | 70.2 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.5 | 166.1 | -76.6 | -178.6 | -15.2 | 0 | 0 | 109.2 | E951 V1008 K1009 Q1010 Y1086 | E951-Q1084 PolarHBondContact OE2-NE2 3.35Å; V1008-Q1084 HydrophobicContact CG1-CB 3.97Å; V1008-Q1084 HydrophobicContact CG1-CG 4.04Å; K1009-Q1084 WeakPolarHBondContact O-CA 3.24Å; Q1010-Q1084 HydrophobicContact CB-CG 4.05Å; Q1010-Q1084 HydrophobicContact CG-CG 4.01Å; Q1084-Y1086 HydrophobicContact CB-CE1 3.97Å; Q1084-Y1086 HydrophobicContact CB-CE2 4.04Å; Q1084-Y1086 WeakPolarHBondContact CB-OH 3.49Å; Q1084-Y1086 PolarHBondContact OE1-OH 2.9Å |
| 1085 | L | 74 | Confident | 68.5 | Low | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.9 | 172.9 | -58.2 | -177.9 | 0 | 0 | 0 | 108.5 | V1008 K1009 L1011 I1060 V1083 L1088 F1114 | V1008-L1085 WeakPolarHBondContact CA-O 3.4Å; K1009-L1085 PolarHBondContact N-O 3.49Å; K1009-L1085 PolarHBondContact O-N 3.15Å; L1011-L1085 HydrophobicContact CD1-CD1 3.88Å; L1011-L1085 HydrophobicContact CD1-CG 4.47Å; L1011-L1085 HydrophobicContact CG-CD1 4.29Å; I1060-L1085 HydrophobicContact CD1-CD2 3.46Å; I1060-L1085 VanDerWaalsContact CD1-CD2 3.46Å; V1083-L1085 HydrophobicContact CG1-CD2 4.38Å; V1083-L1085 HydrophobicContact CG2-CD2 4.34Å; L1085-L1088 HydrophobicContact CB-CD1 3.52Å; L1085-L1088 HydrophobicContact CB-CG 4.19Å; L1085-L1088 HydrophobicContact CD1-CD1 4.23Å; L1085-F1114 HydrophobicContact CD1-CE1 4.23Å; L1085-F1114 HydrophobicContact CD1-CZ 3.98Å |
| 1086 | Y | 72 | Confident | 71.2 | Confident | 139 Ų | 139 | 59.3 Ų | 59.3 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 161.2 | 179.9 | -48.6 | -82.2 | 0 | 0 | 0 | 111.5 | S1007 V1008 Q1084 L1088 | S1007-Y1086 WeakPolarHBondContact O-CA 3.22Å; V1008-Y1086 HydrophobicContact CB-CD1 4.5Å; V1008-Y1086 HydrophobicContact CG1-CD1 3.97Å; V1008-Y1086 HydrophobicContact CG1-CE1 3.91Å; V1008-Y1086 HydrophobicContact CG2-CD1 3.87Å; V1008-Y1086 HydrophobicContact CG2-CE1 4.27Å; Q1084-Y1086 HydrophobicContact CB-CE1 3.97Å; Q1084-Y1086 HydrophobicContact CB-CE2 4.04Å; Q1084-Y1086 WeakPolarHBondContact CB-OH 3.49Å; Q1084-Y1086 PolarHBondContact OE1-OH 2.9Å; Y1086-L1088 PolarHBondContact O-N 2.91Å; Y1086-L1088 VanDerWaalsContact O-N 3.12Å |
| 1087 | D | 67.2 | Low | 73.8 | Confident | 139 Ų | 139 | 53 Ų | 53 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 53.3 | 33 | 173.3 | -161.2 | 37.1 | 0 | 0 | 0 | 114.2 | S1007 R1089 | S1007-D1087 PolarHBondContact O-N 3.36Å; D1087-R1089 PolarHBondContact O-N 3.41Å |
| 1088 | L | 68.8 | Low | 76.1 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 121.8 | 171 | -72.5 | 162 | 0 | 0 | 0 | 108.7 | S1007 K1009 Y1030 L1085 Y1086 Y1093 F1114 V1116 | S1007-L1088 PolarHBondContact OG-N 3.18Å; S1007-L1088 PolarHBondContact OG-O 3.32Å; K1009-L1088 HydrophobicContact CB-CD1 4.11Å; K1009-L1088 HydrophobicContact CG-CD1 4.09Å; Y1030-L1088 HydrophobicContact CE2-CD2 4.04Å; L1085-L1088 HydrophobicContact CB-CD1 3.52Å; L1085-L1088 HydrophobicContact CB-CG 4.19Å; L1085-L1088 HydrophobicContact CD1-CD1 4.23Å; Y1086-L1088 PolarHBondContact O-N 2.91Å; Y1086-L1088 VanDerWaalsContact O-N 3.12Å; L1088-Y1093 HydrophobicContact CB-CE2 4.41Å; L1088-Y1093 HydrophobicContact CD2-CD1 4.43Å; L1088-Y1093 HydrophobicContact CD2-CE1 3.92Å; L1088-Y1093 HydrophobicContact CD2-CE2 4.2Å; L1088-F1114 HydrophobicContact CD1-CE2 3.72Å; L1088-F1114 HydrophobicContact CD1-CZ 3.96Å; L1088-F1114 HydrophobicContact CD2-CZ 4.45Å; L1088-V1116 HydrophobicContact CB-CB 4.48Å; L1088-V1116 HydrophobicContact CB-CG1 4.12Å; L1088-V1116 HydrophobicContact CB-CG2 3.93Å; L1088-V1116 HydrophobicContact CD1-CG2 4.18Å; L1088-V1116 VanDerWaalsContact O-CG1 3.3Å; L1088-V1116 WeakPolarHBondContact O-CG1 3.38Å |
| 1089 | R | 68.5 | Low | 77.8 | Confident | 193 Ų | 193 | 46.1 Ų | 46.1 | 73% | 0.728 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -56.7 | 152.8 | 170.8 | -66.9 | -175.4 | 178.5 | -175.7 | -0.8 | 110.3 | D1087 Y1093 | D1087-R1089 PolarHBondContact O-N 3.41Å; R1089-Y1093 PolarHBondContact N-OH 3.08Å; R1089-Y1093 WeakPolarHBondContact O-CE2 3.27Å; R1089-Y1093 PolarHBondContact O-OH 3.42Å |
| 1090 | S | 67.1 | Low | 78.8 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -56.7 | 145.3 | 170.9 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | R1032 V1116 | R1032-S1090 PolarHBondContact NH1-O 3.1Å; S1090-V1116 WeakPolarHBondContact CA-O 3.5Å |
| 1091 | G | 75.7 | Confident | 79.4 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.2 | -179.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1034 K1115 V1116 | D1034-G1091 WeakPolarHBondContact OD2-CA 3.34Å; G1091-K1115 CarbonylContact O-C 3.55Å; G1091-K1115 WeakPolarHBondContact O-CA 3.39Å; G1091-V1116 PolarHBondContact N-O 3Å; G1091-V1116 PolarHBondContact O-N 2.97Å |
| 1092 | V | 81.6 | Confident | 79.5 | Confident | 44 Ų | 44 | 38.6 Ų | 38.6 | 27% | 0.267 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.8 | 176.1 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | R1032 L1033 D1034 F1114 K1115 | R1032-V1092 CarbonylContact C-O 3.46Å; R1032-V1092 WeakPolarHBondContact CA-O 3.47Å; R1032-V1092 VanDerWaalsContact CG-O 3.22Å; R1032-V1092 WeakPolarHBondContact CG-O 3.05Å; L1033-V1092 HydrophobicContact CD1-CG1 4.14Å; L1033-V1092 PolarHBondContact N-O 2.92Å; D1034-V1092 PolarHBondContact OD2-N 2.76Å; V1092-F1114 WeakPolarHBondContact CA-O 3.12Å; V1092-K1115 HydrophobicContact CG2-CB 4.42Å; V1092-K1115 HydrophobicContact CG2-CD 4.23Å; V1092-K1115 HydrophobicContact CG2-CG 4.17Å |
| 1093 | Y | 83.9 | Confident | 79.8 | Confident | 19 Ų | 19 | 39.1 Ų | 39.1 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153.3 | 179.1 | -72.1 | -95.9 | 0 | 0 | 0 | 111.5 | Y1030 R1031 R1032 L1088 R1089 R1113 F1114 V1116 | Y1030-Y1093 AromaticContact CD2-CD1 3.87Å; Y1030-Y1093 HydrophobicContact CD2-CD1 3.87Å; Y1030-Y1093 HydrophobicContact CD2-CE1 4.13Å; Y1030-Y1093 HydrophobicContact CE2-CD1 4.35Å; Y1030-Y1093 HydrophobicContact CE2-CE1 4.14Å; R1031-Y1093 CarbonylContact O-C 3.49Å; R1031-Y1093 VanDerWaalsContact O-CA 3.23Å; R1031-Y1093 WeakPolarHBondContact O-CA 3.02Å; R1032-Y1093 HydrophobicContact CB-CD1 3.91Å; R1032-Y1093 HydrophobicContact CB-CE1 3.64Å; R1032-Y1093 HydrophobicContact CB-CG 4.48Å; R1032-Y1093 HydrophobicContact CG-CD1 4.23Å; R1032-Y1093 HydrophobicContact CG-CD2 4.2Å; R1032-Y1093 HydrophobicContact CG-CE1 3.95Å; R1032-Y1093 HydrophobicContact CG-CE2 3.89Å; R1032-Y1093 HydrophobicContact CG-CG 4.36Å; L1088-Y1093 HydrophobicContact CB-CE2 4.41Å; L1088-Y1093 HydrophobicContact CD2-CD1 4.43Å; L1088-Y1093 HydrophobicContact CD2-CE1 3.92Å; L1088-Y1093 HydrophobicContact CD2-CE2 4.2Å; R1089-Y1093 PolarHBondContact N-OH 3.08Å; R1089-Y1093 WeakPolarHBondContact O-CE2 3.27Å; R1089-Y1093 PolarHBondContact O-OH 3.42Å; Y1093-R1113 CarbonylContact O-C 3.55Å; Y1093-R1113 WeakPolarHBondContact O-CA 3.06Å; Y1093-R1113 WeakPolarHBondContact O-CB 3.48Å; Y1093-F1114 HydrophobicContact CD1-CZ 4.45Å; Y1093-F1114 HydrophobicContact CD2-CD2 4.23Å; Y1093-F1114 AromaticContact CD2-CE2 3.6Å; Y1093-F1114 HydrophobicContact CD2-CE2 3.6Å; Y1093-F1114 HydrophobicContact CD2-CZ 4.22Å; Y1093-F1114 HydrophobicContact CE2-CE2 4.47Å; Y1093-F1114 HydrophobicContact CG-CD2 4.43Å; Y1093-F1114 AromaticContact CG-CE2 3.69Å; Y1093-F1114 HydrophobicContact CG-CE2 3.69Å; Y1093-F1114 AromaticContact CG-CZ 3.83Å; Y1093-F1114 HydrophobicContact CG-CZ 3.83Å; Y1093-F1114 PolarHBondContact N-O 3.31Å; Y1093-F1114 PolarHBondContact O-N 3.42Å; Y1093-V1116 HydrophobicContact CD2-CG2 4.25Å; Y1093-V1116 HydrophobicContact CE2-CG2 4.23Å |
| 1094 | E | 90.1 | Very high | 79.9 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.5 | 166.3 | 70 | 177.5 | -161.9 | 0 | 0 | 112.1 | Y1030 R1031 L1033 W1057 V1111 K1112 R1113 | Y1030-E1094 CarbonylContact C-O 3.54Å; Y1030-E1094 WeakPolarHBondContact CA-O 3.24Å; R1031-E1094 HydrophobicContact CG-CG 3.76Å; R1031-E1094 IonicContact CZ-OE1 2.81Å; R1031-E1094 PolarHBondContact N-O 2.82Å; R1031-E1094 IonicContact NE-OE1 2.8Å; R1031-E1094 PolarHBondContact NE-OE1 3.04Å; R1031-E1094 IonicContact NH2-OE1 2.59Å; R1031-E1094 PolarHBondContact NH2-OE1 3.36Å; R1031-E1094 PolarHBondContact O-N 2.75Å; L1033-E1094 HydrophobicContact CD1-CB 4.46Å; L1033-E1094 HydrophobicContact CD1-CG 4.43Å; L1033-E1094 HydrophobicContact CD2-CG 4.26Å; L1033-E1094 HydrophobicContact CG-CG 4.48Å; W1057-E1094 HydrophobicContact CH2-CG 3.86Å; W1057-E1094 HydrophobicContact CZ3-CG 4.07Å; E1094-V1111 HydrophobicContact CB-CG1 3.84Å; E1094-V1111 HydrophobicContact CG-CG1 4.19Å; E1094-K1112 CarbonylContact C-O 3.43Å; E1094-K1112 WeakPolarHBondContact CA-O 3.32Å; E1094-K1112 WeakPolarHBondContact CB-O 3.33Å; E1094-R1113 HydrophobicContact CB-CG 3.72Å; E1094-R1113 IonicContact OE2-CZ 3.33Å; E1094-R1113 IonicContact OE2-NE 2.75Å; E1094-R1113 PolarHBondContact OE2-NE 3.04Å; E1094-R1113 IonicContact OE2-NH2 3.55Å; E1094-R1113 PolarHBondContact OE2-NH2 3.31Å |
| 1095 | F | 88.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 160.4 | -174.5 | 74.4 | -83.9 | 0 | 0 | 0 | 114.7 | I946 L948 L1011 I1028 R1029 I1097 V1111 K1112 F1114 | I946-F1095 HydrophobicContact CG2-CE2 3.82Å; I946-F1095 HydrophobicContact CG2-CZ 3.78Å; L948-F1095 HydrophobicContact CD1-CE1 4.22Å; L1011-F1095 HydrophobicContact CD1-CD2 3.96Å; L1011-F1095 HydrophobicContact CD1-CE1 4.41Å; L1011-F1095 HydrophobicContact CD1-CE2 3.82Å; L1011-F1095 HydrophobicContact CD1-CG 4.33Å; L1011-F1095 HydrophobicContact CD1-CZ 4.05Å; L1011-F1095 HydrophobicContact CD2-CE1 3.81Å; L1011-F1095 HydrophobicContact CD2-CE2 4.25Å; L1011-F1095 HydrophobicContact CD2-CZ 3.64Å; L1011-F1095 HydrophobicContact CG-CZ 4.38Å; I1028-F1095 HydrophobicContact CG2-CB 4.43Å; I1028-F1095 HydrophobicContact CG2-CD2 4.3Å; R1029-F1095 CarbonylContact O-C 3.54Å; R1029-F1095 WeakPolarHBondContact O-CA 3.35Å; R1029-F1095 WeakPolarHBondContact O-CB 3.48Å; F1095-I1097 HydrophobicContact CD2-CG1 4.21Å; F1095-I1097 HydrophobicContact CE2-CD1 4.19Å; F1095-I1097 HydrophobicContact CE2-CG1 4.21Å; F1095-V1111 WeakPolarHBondContact O-CA 3.5Å; F1095-K1112 HydrophobicContact CD1-CB 4.03Å; F1095-K1112 HydrophobicContact CE1-CB 3.47Å; F1095-K1112 VanDerWaalsContact CE1-CB 3.47Å; F1095-K1112 HydrophobicContact CE2-CB 4.13Å; F1095-K1112 HydrophobicContact CE2-CG 4.44Å; F1095-K1112 HydrophobicContact CZ-CB 3.53Å; F1095-K1112 HydrophobicContact CZ-CG 4.11Å; F1095-K1112 PolarHBondContact N-O 3.3Å; F1095-K1112 PolarHBondContact O-N 3.02Å; F1095-F1114 AromaticContact CD1-CD1 3.79Å; F1095-F1114 HydrophobicContact CD1-CD1 3.79Å; F1095-F1114 AromaticContact CD1-CE1 3.86Å; F1095-F1114 HydrophobicContact CD1-CE1 3.86Å; F1095-F1114 AromaticContact CE1-CD1 3.87Å; F1095-F1114 HydrophobicContact CE1-CD1 3.87Å; F1095-F1114 HydrophobicContact CE1-CE1 4.29Å |
| 1096 | Q | 91.8 | Very high | 80.7 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 157.7 | 170.5 | -62.7 | 178 | -87.4 | 0 | 0 | 110.3 | I1028 R1029 W1108 T1109 V1111 | I1028-Q1096 CarbonylContact C-O 3.56Å; I1028-Q1096 WeakPolarHBondContact CA-O 3.41Å; R1029-Q1096 HydrophobicContact CG-CB 4.07Å; R1029-Q1096 VanDerWaalsContact CZ-OE1 3.3Å; R1029-Q1096 PolarHBondContact N-O 3.14Å; R1029-Q1096 PolarHBondContact O-N 2.89Å; Q1096-W1108 HydrophobicContact CB-CE3 3.84Å; Q1096-W1108 HydrophobicContact CB-CZ3 4.44Å; Q1096-T1109 WeakPolarHBondContact CG-O 3.36Å; Q1096-T1109 PolarHBondContact NE2-O 2.87Å; Q1096-V1111 HydrophobicContact CG-CB 4.27Å; Q1096-V1111 HydrophobicContact CG-CG2 3.7Å |
| 1097 | I | 90 | Very high | 81.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.1 | 179.2 | -46.3 | -173.4 | 0 | 0 | 0 | 109.6 | I941 I946 W1013 W1027 I1028 F1095 W1108 T1109 | I941-I1097 HydrophobicContact CD1-CB 4.36Å; I941-I1097 HydrophobicContact CD1-CG2 3.68Å; I946-I1097 HydrophobicContact CD1-CD1 4.34Å; I946-I1097 HydrophobicContact CD1-CG1 4.46Å; I946-I1097 HydrophobicContact CG1-CD1 4.46Å; I946-I1097 HydrophobicContact CG2-CD1 4.48Å; W1013-I1097 HydrophobicContact CB-CD1 4.44Å; W1013-I1097 HydrophobicContact CD2-CD1 3.57Å; W1013-I1097 HydrophobicContact CE3-CD1 3.47Å; W1013-I1097 VanDerWaalsContact CE3-CD1 3.47Å; W1013-I1097 HydrophobicContact CG-CD1 4.01Å; W1013-I1097 HydrophobicContact CH2-CD1 4.49Å; W1013-I1097 HydrophobicContact CZ2-CG2 4.33Å; W1013-I1097 HydrophobicContact CZ3-CD1 3.98Å; W1027-I1097 CarbonylContact O-C 3.51Å; W1027-I1097 VanDerWaalsContact O-CA 3.28Å; W1027-I1097 WeakPolarHBondContact O-CA 3.49Å; I1028-I1097 HydrophobicContact CG1-CG1 4.16Å; I1028-I1097 HydrophobicContact CG1-CG2 4.17Å; F1095-I1097 HydrophobicContact CD2-CG1 4.21Å; F1095-I1097 HydrophobicContact CE2-CD1 4.19Å; F1095-I1097 HydrophobicContact CE2-CG1 4.21Å; I1097-W1108 CarbonylContact O-C 3.51Å; I1097-W1108 WeakPolarHBondContact O-CA 3.45Å; I1097-T1109 HydrophobicContact CB-CG2 4.2Å; I1097-T1109 PolarHBondContact N-OG1 3.15Å; I1097-T1109 WeakPolarHBondContact O-CG2 3.46Å; I1097-T1109 PolarHBondContact O-N 3.46Å; I1097-T1109 PolarHBondContact O-OG1 3.22Å |
| 1098 | M | 91.1 | Very high | 82.5 | Confident | 17 Ų | 17 | 34.9 Ų | 34.9 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139.8 | 170.8 | -179.4 | -145 | -81.8 | 0 | 0 | 109.4 | Y1026 W1027 V1100 N1105 G1106 W1108 | Y1026-M1098 CarbonylContact C-O 3.58Å; Y1026-M1098 VanDerWaalsContact CA-O 3.24Å; Y1026-M1098 WeakPolarHBondContact CA-O 3.28Å; W1027-M1098 HydrophobicContact CB-CB 4.46Å; W1027-M1098 PolarHBondContact N-O 2.66Å; W1027-M1098 PolarHBondContact O-N 3.01Å; M1098-V1100 HydrophobicContact SD-CG2 4.32Å; M1098-N1105 HydrophobicContact CE-CB 4.39Å; M1098-N1105 HydrophobicContact SD-CB 3.77Å; M1098-G1106 VanDerWaalsContact CG-O 3.24Å; M1098-G1106 WeakPolarHBondContact CG-O 3.41Å; M1098-W1108 HydrophobicContact CB-CD2 3.83Å; M1098-W1108 HydrophobicContact CB-CE3 3.6Å; M1098-W1108 HydrophobicContact CB-CG 4.41Å; M1098-W1108 HydrophobicContact CB-CH2 4.29Å; M1098-W1108 HydrophobicContact CB-CZ3 3.84Å; M1098-W1108 HydrophobicContact CE-CD2 4.04Å; M1098-W1108 HydrophobicContact CE-CG 4.22Å; M1098-W1108 HydrophobicContact CE-CZ2 3.9Å |
| 1099 | S | 88.4 | Confident | 83.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 148.9 | 169.5 | 31.7 | 0 | 0 | 0 | 0 | 111.7 | D939 G1106 | D939-S1099 WeakPolarHBondContact O-CB 3.36Å; D939-S1099 PolarHBondContact O-OG 3.13Å; S1099-G1106 PolarHBondContact O-N 2.94Å |
| 1100 | V | 84 | Confident | 84.5 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.6 | 169.8 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | T1023 L1024 R1025 M1098 G1104 | T1023-V1100 CarbonylContact C-O 3.55Å; T1023-V1100 WeakPolarHBondContact CA-O 3.33Å; T1023-V1100 WeakPolarHBondContact CG2-O 3.47Å; L1024-V1100 PolarHBondContact N-O 2.88Å; R1025-V1100 HydrophobicContact CG-CB 3.84Å; R1025-V1100 HydrophobicContact CG-CG1 4.46Å; R1025-V1100 HydrophobicContact CG-CG2 4Å; R1025-V1100 PolarHBondContact O-N 3.27Å; M1098-V1100 HydrophobicContact SD-CG2 4.32Å; V1100-G1104 CarbonylContact C-O 3.5Å; V1100-G1104 WeakPolarHBondContact CA-O 3.28Å |
| 1101 | S | 83.3 | Confident | 85.4 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -175.8 | 179 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | D939 L1022 L1024 A1103 G1104 | D939-S1101 WeakPolarHBondContact OD1-CB 3.19Å; D939-S1101 PolarHBondContact OD1-OG 3.26Å; D939-S1101 WeakPolarHBondContact OD2-CB 3.23Å; D939-S1101 PolarHBondContact OD2-OG 2.77Å; L1022-S1101 CarbonylContact O-C 3.59Å; L1022-S1101 VanDerWaalsContact O-CA 3.23Å; L1022-S1101 WeakPolarHBondContact O-CA 3.31Å; L1024-S1101 WeakPolarHBondContact CD1-O 3.39Å; S1101-A1103 PolarHBondContact OG-N 3.38Å; S1101-A1103 VanDerWaalsContact OG-N 3.09Å; S1101-G1104 PolarHBondContact N-O 2.81Å; S1101-G1104 PolarHBondContact OG-N 2.97Å; S1101-G1104 PolarHBondContact OG-O 3.31Å |
| 1102 | L | 75.7 | Confident | 86 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -71.9 | -16.8 | 169.2 | -75.8 | 166.5 | 0 | 0 | 0 | 112.9 | V680 I700 Y879 N1020 L1022 L1024 | V680-L1102 HydrophobicContact CB-CD1 4.28Å; V680-L1102 HydrophobicContact CG1-CD1 3.99Å; V680-L1102 HydrophobicContact CG2-CD1 3.91Å; I700-L1102 HydrophobicContact CD1-CD2 3.69Å; I700-L1102 HydrophobicContact CG2-CD2 4.46Å; Y879-L1102 HydrophobicContact CD1-CB 4.23Å; Y879-L1102 VanDerWaalsContact CE1-C 3.47Å; Y879-L1102 HydrophobicContact CE1-CB 3.86Å; Y879-L1102 WeakPolarHBondContact CE1-O 3.05Å; Y879-L1102 PolarHBondContact OH-O 3.44Å; N1020-L1102 PolarHBondContact O-N 2.77Å; L1022-L1102 HydrophobicContact CB-CD1 3.75Å; L1022-L1102 HydrophobicContact CB-CG 4.27Å; L1022-L1102 PolarHBondContact O-N 3.12Å; L1024-L1102 HydrophobicContact CD1-CD2 4.21Å; L1024-L1102 HydrophobicContact CD2-CD2 3.87Å; L1024-L1102 HydrophobicContact CD2-CG 4.14Å; L1024-L1102 HydrophobicContact CG-CD2 4.38Å; L1024-L1102 HydrophobicContact CG-CG 4.46Å |
| 1103 | A | 79.7 | Confident | 86.2 | Confident | 38 Ų | 38 | 36 Ų | 36 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -90.5 | -31.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y879 A934 N1020 S1101 | Y879-A1103 HydrophobicContact CD1-CB 4.07Å; Y879-A1103 HydrophobicContact CD2-CB 4.22Å; Y879-A1103 HydrophobicContact CE1-CB 3.95Å; Y879-A1103 HydrophobicContact CE2-CB 4.08Å; Y879-A1103 HydrophobicContact CG-CB 4.2Å; A934-A1103 HydrophobicContact CB-CB 4.08Å; N1020-A1103 HydrophobicContact CB-CB 3.53Å; S1101-A1103 PolarHBondContact OG-N 3.38Å; S1101-A1103 VanDerWaalsContact OG-N 3.09Å |
| 1104 | G | 78.8 | Confident | 86.2 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | trans | 162 | -156.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1100 S1101 | V1100-G1104 CarbonylContact C-O 3.5Å; V1100-G1104 WeakPolarHBondContact CA-O 3.28Å; S1101-G1104 PolarHBondContact N-O 2.81Å; S1101-G1104 PolarHBondContact OG-N 2.97Å; S1101-G1104 PolarHBondContact OG-O 3.31Å | ||
| 1105 | N | 84.9 | Confident | 85.6 | Confident | 105 Ų | 105 | 41.8 Ų | 41.8 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | B | Isolated β-bridge | trans | -81.8 | 136.5 | 174.5 | -65.8 | -8.8 | 0 | 0 | 0 | 110.4 | M1098 | M1098-N1105 HydrophobicContact CE-CB 4.39Å; M1098-N1105 HydrophobicContact SD-CB 3.77Å |
| 1106 | G | 82.4 | Confident | 84.7 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | trans | -81.9 | -174.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D940 M1098 S1099 | D940-G1106 WeakPolarHBondContact OD1-CA 3.27Å; M1098-G1106 VanDerWaalsContact CG-O 3.24Å; M1098-G1106 WeakPolarHBondContact CG-O 3.41Å; S1099-G1106 PolarHBondContact O-N 2.94Å | ||
| 1107 | S | 89.5 | Confident | 83.3 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 44% | 0.441 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 149.1 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | D940 | D940-S1107 VanDerWaalsContact CG-OG 3.32Å; D940-S1107 PolarHBondContact OD1-N 2.9Å; D940-S1107 PolarHBondContact OD1-OG 2.88Å; D940-S1107 WeakPolarHBondContact OD2-CB 3.29Å; D940-S1107 PolarHBondContact OD2-OG 2.88Å |
| 1108 | W | 88.9 | Confident | 81.3 | Confident | 74 Ų | 74 | 53.6 Ų | 53.6 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 135.4 | 165 | -75.9 | 110.2 | 0 | 0 | 0 | 110.8 | W1027 R1029 L1059 Q1096 I1097 M1098 | W1027-W1108 HydrophobicContact CB-CH2 3.82Å; W1027-W1108 HydrophobicContact CB-CZ3 4.26Å; R1029-W1108 HydrophobicContact CB-CH2 3.8Å; R1029-W1108 HydrophobicContact CB-CZ3 4.03Å; R1029-W1108 HydrophobicContact CG-CE3 4.13Å; R1029-W1108 HydrophobicContact CG-CH2 3.74Å; R1029-W1108 HydrophobicContact CG-CZ2 4.27Å; R1029-W1108 HydrophobicContact CG-CZ3 3.65Å; L1059-W1108 HydrophobicContact CD2-CH2 4.31Å; Q1096-W1108 HydrophobicContact CB-CE3 3.84Å; Q1096-W1108 HydrophobicContact CB-CZ3 4.44Å; I1097-W1108 CarbonylContact O-C 3.51Å; I1097-W1108 WeakPolarHBondContact O-CA 3.45Å; M1098-W1108 HydrophobicContact CB-CD2 3.83Å; M1098-W1108 HydrophobicContact CB-CE3 3.6Å; M1098-W1108 HydrophobicContact CB-CG 4.41Å; M1098-W1108 HydrophobicContact CB-CH2 4.29Å; M1098-W1108 HydrophobicContact CB-CZ3 3.84Å; M1098-W1108 HydrophobicContact CE-CD2 4.04Å; M1098-W1108 HydrophobicContact CE-CG 4.22Å; M1098-W1108 HydrophobicContact CE-CZ2 3.9Å |
| 1109 | T | 90.3 | Very high | 79.2 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 163.4 | 174.8 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | I941 S943 I946 Q1096 I1097 | I941-T1109 HydrophobicContact CB-CG2 3.7Å; I941-T1109 HydrophobicContact CG2-CG2 3.73Å; S943-T1109 VanDerWaalsContact OG-CA 3.28Å; S943-T1109 WeakPolarHBondContact OG-CA 3.38Å; S943-T1109 VanDerWaalsContact OG-CB 3.27Å; S943-T1109 WeakPolarHBondContact OG-CB 3.41Å; I946-T1109 HydrophobicContact CD1-CG2 3.93Å; I946-T1109 WeakPolarHBondContact CD1-OG1 3.35Å; Q1096-T1109 WeakPolarHBondContact CG-O 3.36Å; Q1096-T1109 PolarHBondContact NE2-O 2.87Å; I1097-T1109 HydrophobicContact CB-CG2 4.2Å; I1097-T1109 PolarHBondContact N-OG1 3.15Å; I1097-T1109 WeakPolarHBondContact O-CG2 3.46Å; I1097-T1109 PolarHBondContact O-N 3.46Å; I1097-T1109 PolarHBondContact O-OG1 3.22Å |
| 1110 | S | 88.5 | Confident | 76.7 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 144.2 | 169.2 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | S943 K1112 | S943-S1110 WeakPolarHBondContact CB-OG 3.48Å; S943-S1110 PolarHBondContact OG-N 3.02Å; S1110-K1112 PolarHBondContact O-N 3.34Å; S1110-K1112 WeakPolarHBondContact OG-CE 3.39Å; S1110-K1112 PolarHBondContact OG-NZ 3.2Å |
| 1111 | V | 86.7 | Confident | 74.5 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 39% | 0.394 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 132.1 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | E1094 F1095 Q1096 | E1094-V1111 HydrophobicContact CB-CG1 3.84Å; E1094-V1111 HydrophobicContact CG-CG1 4.19Å; F1095-V1111 WeakPolarHBondContact O-CA 3.5Å; Q1096-V1111 HydrophobicContact CG-CB 4.27Å; Q1096-V1111 HydrophobicContact CG-CG2 3.7Å |
| 1112 | K | 88 | Confident | 72.3 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 24% | 0.239 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 163.7 | 172.8 | -57.3 | -58.7 | -169.9 | -169.2 | 0 | 110.1 | S943 I946 E1094 F1095 S1110 | S943-K1112 WeakPolarHBondContact O-CE 3.39Å; S943-K1112 PolarHBondContact O-NZ 2.75Å; I946-K1112 HydrophobicContact CB-CG 4.38Å; I946-K1112 HydrophobicContact CD1-CG 4.13Å; I946-K1112 HydrophobicContact CG2-CG 4.11Å; E1094-K1112 CarbonylContact C-O 3.43Å; E1094-K1112 WeakPolarHBondContact CA-O 3.32Å; E1094-K1112 WeakPolarHBondContact CB-O 3.33Å; F1095-K1112 HydrophobicContact CD1-CB 4.03Å; F1095-K1112 HydrophobicContact CE1-CB 3.47Å; F1095-K1112 VanDerWaalsContact CE1-CB 3.47Å; F1095-K1112 HydrophobicContact CE2-CB 4.13Å; F1095-K1112 HydrophobicContact CE2-CG 4.44Å; F1095-K1112 HydrophobicContact CZ-CB 3.53Å; F1095-K1112 HydrophobicContact CZ-CG 4.11Å; F1095-K1112 PolarHBondContact N-O 3.3Å; F1095-K1112 PolarHBondContact O-N 3.02Å; S1110-K1112 PolarHBondContact O-N 3.34Å; S1110-K1112 WeakPolarHBondContact OG-CE 3.39Å; S1110-K1112 PolarHBondContact OG-NZ 3.2Å |
| 1113 | R | 85.8 | Confident | 70.5 | Confident | 160 Ų | 160 | 72.6 Ų | 72.6 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.6 | -175.4 | -58.5 | -163.4 | 168.1 | 145.9 | -4.2 | 113.9 | L948 Y1093 E1094 | L948-R1113 WeakPolarHBondContact CD1-O 3.45Å; Y1093-R1113 CarbonylContact O-C 3.55Å; Y1093-R1113 WeakPolarHBondContact O-CA 3.06Å; Y1093-R1113 WeakPolarHBondContact O-CB 3.48Å; E1094-R1113 HydrophobicContact CB-CG 3.72Å; E1094-R1113 IonicContact OE2-CZ 3.33Å; E1094-R1113 IonicContact OE2-NE 2.75Å; E1094-R1113 PolarHBondContact OE2-NE 3.04Å; E1094-R1113 IonicContact OE2-NH2 3.55Å; E1094-R1113 PolarHBondContact OE2-NH2 3.31Å |
| 1114 | F | 83.3 | Confident | 68.4 | Low | 16 Ų | 16 | 74.3 Ų | 74.3 | 7% | 0.07 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 171.8 | 173 | 65 | -100 | 0 | 0 | 0 | 112.7 | L948 K1009 L1011 L1085 L1088 V1092 Y1093 F1095 V1116 | L948-F1114 HydrophobicContact CD1-CB 3.87Å; L948-F1114 HydrophobicContact CD2-CB 3.64Å; L948-F1114 HydrophobicContact CD2-CD1 4.07Å; L948-F1114 HydrophobicContact CD2-CG 4.03Å; L948-F1114 HydrophobicContact CG-CB 4.43Å; K1009-F1114 HydrophobicContact CG-CD2 4.02Å; K1009-F1114 HydrophobicContact CG-CE2 4.18Å; L1011-F1114 HydrophobicContact CD2-CD1 4.35Å; L1011-F1114 HydrophobicContact CD2-CE1 4.44Å; L1085-F1114 HydrophobicContact CD1-CE1 4.23Å; L1085-F1114 HydrophobicContact CD1-CZ 3.98Å; L1088-F1114 HydrophobicContact CD1-CE2 3.72Å; L1088-F1114 HydrophobicContact CD1-CZ 3.96Å; L1088-F1114 HydrophobicContact CD2-CZ 4.45Å; V1092-F1114 WeakPolarHBondContact CA-O 3.12Å; Y1093-F1114 HydrophobicContact CD1-CZ 4.45Å; Y1093-F1114 HydrophobicContact CD2-CD2 4.23Å; Y1093-F1114 AromaticContact CD2-CE2 3.6Å; Y1093-F1114 HydrophobicContact CD2-CE2 3.6Å; Y1093-F1114 HydrophobicContact CD2-CZ 4.22Å; Y1093-F1114 HydrophobicContact CE2-CE2 4.47Å; Y1093-F1114 HydrophobicContact CG-CD2 4.43Å; Y1093-F1114 AromaticContact CG-CE2 3.69Å; Y1093-F1114 HydrophobicContact CG-CE2 3.69Å; Y1093-F1114 AromaticContact CG-CZ 3.83Å; Y1093-F1114 HydrophobicContact CG-CZ 3.83Å; Y1093-F1114 PolarHBondContact N-O 3.31Å; Y1093-F1114 PolarHBondContact O-N 3.42Å; F1095-F1114 AromaticContact CD1-CD1 3.79Å; F1095-F1114 HydrophobicContact CD1-CD1 3.79Å; F1095-F1114 AromaticContact CD1-CE1 3.86Å; F1095-F1114 HydrophobicContact CD1-CE1 3.86Å; F1095-F1114 AromaticContact CE1-CD1 3.87Å; F1095-F1114 HydrophobicContact CE1-CD1 3.87Å; F1095-F1114 HydrophobicContact CE1-CE1 4.29Å; F1114-V1116 HydrophobicContact CD2-CG2 3.96Å; F1114-V1116 HydrophobicContact CE2-CG2 3.85Å |
| 1115 | K | 77.2 | Confident | 66.2 | Low | 130 Ų | 130 | 82.4 Ų | 82.4 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.3 | -179.1 | -177.1 | 177.2 | 179.1 | 178.1 | 0 | 112.7 | K1009 G1091 V1092 | K1009-K1115 WeakPolarHBondContact CE-O 3.28Å; K1009-K1115 PolarHBondContact NZ-O 2.88Å; K1009-K1115 VanDerWaalsContact NZ-O 3.13Å; G1091-K1115 CarbonylContact O-C 3.55Å; G1091-K1115 WeakPolarHBondContact O-CA 3.39Å; V1092-K1115 HydrophobicContact CG2-CB 4.42Å; V1092-K1115 HydrophobicContact CG2-CD 4.23Å; V1092-K1115 HydrophobicContact CG2-CG 4.17Å |
| 1116 | V | 70.6 | Confident | 64 | Low | 7 Ų | 7 | 85.2 Ų | 85.2 | 4% | 0.042 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.7 | -175 | -173 | 0 | 0 | 0 | 0 | 112.6 | S1007 K1009 L1088 S1090 G1091 Y1093 F1114 | S1007-V1116 VanDerWaalsContact CB-CG1 3.44Å; K1009-V1116 HydrophobicContact CG-CG2 4.13Å; L1088-V1116 HydrophobicContact CB-CB 4.48Å; L1088-V1116 HydrophobicContact CB-CG1 4.12Å; L1088-V1116 HydrophobicContact CB-CG2 3.93Å; L1088-V1116 HydrophobicContact CD1-CG2 4.18Å; L1088-V1116 VanDerWaalsContact O-CG1 3.3Å; L1088-V1116 WeakPolarHBondContact O-CG1 3.38Å; S1090-V1116 WeakPolarHBondContact CA-O 3.5Å; G1091-V1116 PolarHBondContact N-O 3Å; G1091-V1116 PolarHBondContact O-N 2.97Å; Y1093-V1116 HydrophobicContact CD2-CG2 4.25Å; Y1093-V1116 HydrophobicContact CE2-CG2 4.23Å; F1114-V1116 HydrophobicContact CD2-CG2 3.96Å; F1114-V1116 HydrophobicContact CE2-CG2 3.85Å |
| 1117 | L | 61.8 | Low | 62 | Low | 138 Ų | 138 | 93 Ų | 93 | 72% | 0.723 | 48% | 0.476 | S | S | * | . | trans | -128.8 | 173.1 | -173.3 | -57.6 | 174.7 | 0 | 0 | 0 | 111.2 | ||||
| 1118 | D | 47.8 | Very low | 59.9 | Low | 126 Ų | 126 | 95.5 Ų | 95.5 | 67% | 0.674 | 49% | 0.485 | S | S | * | . | trans | -132.9 | 136.6 | -157.6 | -164.4 | -11 | 0 | 0 | 0 | 113.9 | ||||
| 1119 | T | 47.3 | Very low | 58 | Low | 76 Ų | 76 | 100.8 Ų | 100.8 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | trans | -170.3 | 144.2 | 178.1 | 24.9 | 0 | 0 | 0 | 0 | 114.1 | K1005 | K1005-T1119 VanDerWaalsContact CB-OG1 3.3Å; K1005-T1119 WeakPolarHBondContact CB-OG1 3.27Å; K1005-T1119 HydrophobicContact CD-CG2 4.12Å; K1005-T1119 WeakPolarHBondContact CD-OG1 3.42Å; K1005-T1119 PolarHBondContact N-O 2.94Å | ||
| 1120 | S | 36.5 | Very low | 55.9 | Low | 91 Ų | 91 | 107.5 Ų | 107.5 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | trans | -149.3 | 174.9 | -172.8 | 58.4 | 0 | 0 | 0 | 0 | 117.1 | S1003 | S1003-S1120 CarbonylContact O-C 3.52Š| ||
| 1121 | V | 38.1 | Very low | 54.2 | Low | 95 Ų | 95 | 113.2 Ų | 113.2 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | trans | 120.9 | 101.3 | 155.5 | -178.7 | 0 | 0 | 0 | 0 | 121.4 | S1002 S1003 | S1002-V1121 CarbonylContact O-C 3.58Å; S1003-V1121 VanDerWaalsContact CB-O 3.23Å; S1003-V1121 WeakPolarHBondContact CB-O 3.31Å; S1003-V1121 PolarHBondContact O-N 3.27Å; S1003-V1121 PolarHBondContact OG-O 2.79Å | ||
| 1122 | H | 37 | Very low | 52.7 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | trans | 56 | 134.9 | 139.6 | -68.9 | -54.1 | 0 | 0 | 0 | 131.2 | S1001 S1002 S1003 | S1001-H1122 PolarHBondContact OG-ND1 2.82Å; S1002-H1122 CarbonylContact O-C 3.52Å; S1002-H1122 WeakPolarHBondContact O-CA 3.47Å; S1002-H1122 PolarHBondContact O-N 3.27Å; S1003-H1122 VanDerWaalsContact OG-C 3.31Å; S1003-H1122 PolarHBondContact OG-O 2.89Å | ||
| 1123 | S | 36.7 | Very low | 51.2 | Low | 79 Ų | 79 | 121.9 Ų | 121.9 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | trans | 106.2 | 135.8 | 144.8 | -71 | 0 | 0 | 0 | 0 | 125.9 | S1001 S1002 | S1001-S1123 WeakPolarHBondContact OG-CA 3.27Å; S1001-S1123 PolarHBondContact OG-N 3.33Å; S1001-S1123 PolarHBondContact OG-OG 3.22Å; S1002-S1123 WeakPolarHBondContact CB-O 3.48Å; S1002-S1123 PolarHBondContact N-O 3.35Å; S1002-S1123 PolarHBondContact OG-N 3.03Å; S1002-S1123 PolarHBondContact OG-O 2.82Å | ||
| 1124 | T | 36.8 | Very low | 50 | Low | 73 Ų | 73 | 121 Ų | 121 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | trans | -158.7 | 163.1 | -170.3 | 51.3 | 0 | 0 | 0 | 0 | 115.2 | S1001 | S1001-T1124 WeakPolarHBondContact CA-OG1 3.37Å; S1001-T1124 PolarHBondContact N-OG1 2.88Å | ||
| 1125 | W | 32.8 | Very low | 48.8 | Very low | 200 Ų | 200 | 127 Ų | 127 | 76% | 0.758 | 63% | 0.626 | S | S | * | * | trans | 68 | 103 | 161.9 | -72.4 | 95.7 | 0 | 0 | 0 | 118.6 | ||||
| 1126 | D | 37.9 | Very low | 48 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 88% | 0.882 | 62% | 0.618 | S | S | * | * | trans | -169.8 | 73.8 | 157.9 | -155.2 | 10 | 0 | 0 | 0 | 116 | ||||
| 1127 | F | 40.7 | Very low | 47.7 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 76% | 0.763 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -155.8 | -72.2 | 167.7 | -150.2 | -146.4 | 0 | 0 | 0 | 120.5 | ||
| 1128 | L | 46.2 | Very low | 48 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | trans | -148.1 | 100.9 | -162.4 | -63.8 | 170.5 | 0 | 0 | 0 | 112.6 | K1130 | L1128-K1130 HydrophobicContact CD2-CB 3.91Å; L1128-K1130 HydrophobicContact CD2-CD 3.89Å; L1128-K1130 HydrophobicContact CD2-CG 3.84Å | ||
| 1129 | E | 47.2 | Very low | 48.9 | Very low | 185 Ų | 185 | 125.2 Ų | 125.2 | 86% | 0.864 | 62% | 0.622 | S | S | * | * | cis | 56.2 | 30.3 | -1.1 | -140.6 | 174.6 | -150.4 | 0 | 0 | 118.5 | ||||
| 1130 | K | 47.2 | Very low | 49.9 | Very low | 144 Ų | 144 | 126 Ų | 126 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | trans | -119.8 | -107.1 | 158.8 | -74.8 | -170.1 | 176.4 | 174.4 | 0 | 114.5 | L1128 | L1128-K1130 HydrophobicContact CD2-CB 3.91Å; L1128-K1130 HydrophobicContact CD2-CD 3.89Å; L1128-K1130 HydrophobicContact CD2-CG 3.84Å | ||
| 1131 | H | 52.9 | Low | 51.6 | Low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -124.3 | 79.8 | -148.5 | -55.3 | -29.3 | 0 | 0 | 0 | 114.7 | ||
| 1132 | Y | 55.4 | Low | 53.1 | Low | 136 Ų | 136 | 127.9 Ų | 127.9 | 53% | 0.533 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -142.5 | -60.1 | -178.4 | 159.2 | -118.9 | 0 | 0 | 0 | 113.4 | I1134 L1135 I1136 | Y1132-I1134 VanDerWaalsContact C-N 3.31Å; Y1132-I1134 PolarHBondContact O-N 3.39Å; Y1132-I1134 VanDerWaalsContact O-N 3.16Å; Y1132-L1135 PolarHBondContact O-N 3Å; Y1132-I1136 HydrophobicContact CD2-CD1 4.01Å; Y1132-I1136 HydrophobicContact CE2-CD1 3.35Å |
| 1133 | Y | 57 | Low | 54.7 | Low | 165 Ų | 165 | 126.5 Ų | 126.5 | 65% | 0.647 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.6 | -30.5 | -170.4 | -68.3 | -76.7 | 0 | 0 | 0 | 115.7 | L1135 I1136 I1137 | Y1133-L1135 PolarHBondContact O-N 2.8Å; Y1133-I1136 PolarHBondContact O-N 3.34Å; Y1133-I1137 VanDerWaalsContact O-CG1 3.31Å; Y1133-I1137 WeakPolarHBondContact O-CG1 3.33Å; Y1133-I1137 PolarHBondContact O-N 3.1Å; Y1133-I1137 VanDerWaalsContact O-N 3.1Å |
| 1134 | I | 60.1 | Low | 56.3 | Low | 141 Ų | 141 | 127 Ų | 127 | 72% | 0.723 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.3 | -40 | -173.9 | -61.5 | 176.3 | 0 | 0 | 0 | 112.1 | Y1132 G1138 | Y1132-I1134 VanDerWaalsContact C-N 3.31Å; Y1132-I1134 PolarHBondContact O-N 3.39Å; Y1132-I1134 VanDerWaalsContact O-N 3.16Å; I1134-G1138 PolarHBondContact O-N 3.14Å |
| 1135 | L | 57.1 | Low | 58 | Low | 143 Ų | 143 | 127.8 Ų | 127.8 | 75% | 0.749 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.9 | -39.8 | -177.6 | -68.5 | 170.9 | 0 | 0 | 0 | 112.1 | Y1132 Y1133 F1139 | Y1132-L1135 PolarHBondContact O-N 3Å; Y1133-L1135 PolarHBondContact O-N 2.8Å; L1135-F1139 PolarHBondContact O-N 3.29Å; L1135-F1139 VanDerWaalsContact O-N 3.13Å |
| 1136 | I | 61.1 | Low | 59.8 | Low | 76 Ų | 76 | 124 Ų | 124 | 39% | 0.39 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.1 | -41.8 | -179.2 | -66.3 | -179.1 | 0 | 0 | 0 | 111.1 | Y1132 Y1133 G1138 F1139 L1140 | Y1132-I1136 HydrophobicContact CD2-CD1 4.01Å; Y1132-I1136 HydrophobicContact CE2-CD1 3.35Å; Y1133-I1136 PolarHBondContact O-N 3.34Å; I1136-G1138 VanDerWaalsContact C-N 3.34Å; I1136-G1138 PolarHBondContact O-N 3.23Å; I1136-F1139 PolarHBondContact O-N 3.43Å; I1136-L1140 HydrophobicContact CG2-CD1 3.7Å; I1136-L1140 HydrophobicContact CG2-CG 4.23Å; I1136-L1140 WeakPolarHBondContact O-CB 3.42Å; I1136-L1140 WeakPolarHBondContact O-CG 3.47Å; I1136-L1140 PolarHBondContact O-N 3.33Å |
| 1137 | I | 65 | Low | 61.2 | Low | 109 Ų | 109 | 119 Ų | 119 | 56% | 0.559 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.2 | -43.5 | 176.4 | -67.6 | 168.6 | 0 | 0 | 0 | 110.3 | Y1133 F1139 F1141 | Y1133-I1137 VanDerWaalsContact O-CG1 3.31Å; Y1133-I1137 WeakPolarHBondContact O-CG1 3.33Å; Y1133-I1137 PolarHBondContact O-N 3.1Å; Y1133-I1137 VanDerWaalsContact O-N 3.1Å; I1137-F1139 PolarHBondContact O-N 3.4Å; I1137-F1141 WeakPolarHBondContact O-CB 3.37Å; I1137-F1141 PolarHBondContact O-N 3.39Å |
| 1138 | G | 68.4 | Low | 62.5 | Low | 33 Ų | 33 | 115.5 Ų | 115.5 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.4 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1134 I1136 N1142 | I1134-G1138 PolarHBondContact O-N 3.14Å; I1136-G1138 VanDerWaalsContact C-N 3.34Å; I1136-G1138 PolarHBondContact O-N 3.23Å; G1138-N1142 PolarHBondContact O-N 2.86Å; G1138-N1142 PolarHBondContact O-ND2 3.18Å |
| 1139 | F | 66.3 | Low | 63.8 | Low | 146 Ų | 146 | 111.9 Ų | 111.9 | 64% | 0.64 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.3 | -48.1 | 179.8 | -166.6 | -106.4 | 0 | 0 | 0 | 112.3 | L1135 I1136 I1137 F1141 N1142 I1143 | L1135-F1139 PolarHBondContact O-N 3.29Å; L1135-F1139 VanDerWaalsContact O-N 3.13Å; I1136-F1139 PolarHBondContact O-N 3.43Å; I1137-F1139 PolarHBondContact O-N 3.4Å; F1139-F1141 PolarHBondContact O-N 3.34Å; F1139-N1142 PolarHBondContact O-N 3.48Å; F1139-I1143 HydrophobicContact CD1-CD1 3.87Å; F1139-I1143 HydrophobicContact CE1-CD1 3.48Å; F1139-I1143 VanDerWaalsContact CE1-CD1 3.48Å; F1139-I1143 HydrophobicContact CZ-CD1 3.96Å; F1139-I1143 PolarHBondContact O-N 3.38Å; F1139-I1143 VanDerWaalsContact O-N 3.14Å |
| 1140 | L | 67.5 | Low | 64.8 | Low | 92 Ų | 92 | 105.5 Ų | 105.5 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 179.3 | -68.5 | 176.2 | 0 | 0 | 0 | 112.4 | I1136 N1142 I1143 I1144 | I1136-L1140 HydrophobicContact CG2-CD1 3.7Å; I1136-L1140 HydrophobicContact CG2-CG 4.23Å; I1136-L1140 WeakPolarHBondContact O-CB 3.42Å; I1136-L1140 WeakPolarHBondContact O-CG 3.47Å; I1136-L1140 PolarHBondContact O-N 3.33Å; L1140-N1142 VanDerWaalsContact C-N 3.32Å; L1140-N1142 PolarHBondContact O-N 2.93Å; L1140-I1143 PolarHBondContact O-N 3.36Å; L1140-I1144 WeakPolarHBondContact O-CB 3.25Å; L1140-I1144 VanDerWaalsContact O-CG1 3.29Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.37Å; L1140-I1144 PolarHBondContact O-N 3.46Å |
| 1141 | F | 73.5 | Confident | 65.7 | Low | 130 Ų | 130 | 101.6 Ų | 101.6 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -35.8 | 178.5 | -165.8 | -106.2 | 0 | 0 | 0 | 112.2 | I1137 F1139 L1145 | I1137-F1141 WeakPolarHBondContact O-CB 3.37Å; I1137-F1141 PolarHBondContact O-N 3.39Å; F1139-F1141 PolarHBondContact O-N 3.34Å; F1141-L1145 HydrophobicContact CD1-CD1 3.72Å; F1141-L1145 HydrophobicContact CD1-CG 4.5Å; F1141-L1145 HydrophobicContact CE1-CD1 3.49Å; F1141-L1145 VanDerWaalsContact CE1-CD1 3.49Å; F1141-L1145 HydrophobicContact CE1-CG 4.31Å; F1141-L1145 HydrophobicContact CZ-CD1 4.25Å; F1141-L1145 WeakPolarHBondContact O-CB 3.45Å; F1141-L1145 PolarHBondContact O-N 3.01Å |
| 1142 | N | 68.5 | Low | 66.3 | Low | 95 Ų | 95 | 97.1 Ų | 97.1 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 173.8 | -83.2 | -77 | 0 | 0 | 0 | 112.7 | G1138 F1139 L1140 L1145 L1146 | G1138-N1142 PolarHBondContact O-N 2.86Å; G1138-N1142 PolarHBondContact O-ND2 3.18Å; F1139-N1142 PolarHBondContact O-N 3.48Å; L1140-N1142 VanDerWaalsContact C-N 3.32Å; L1140-N1142 PolarHBondContact O-N 2.93Å; N1142-L1145 PolarHBondContact O-N 2.92Å; N1142-L1146 WeakPolarHBondContact O-CB 3.19Å; N1142-L1146 WeakPolarHBondContact O-CG 3.36Å; N1142-L1146 PolarHBondContact O-N 3.42Å |
| 1143 | I | 70.9 | Confident | 66.8 | Low | 82 Ų | 82 | 95.3 Ų | 95.3 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 174.8 | -69.1 | 175.9 | 0 | 0 | 0 | 111.1 | F1139 L1140 S1147 | F1139-I1143 HydrophobicContact CD1-CD1 3.87Å; F1139-I1143 HydrophobicContact CE1-CD1 3.48Å; F1139-I1143 VanDerWaalsContact CE1-CD1 3.48Å; F1139-I1143 HydrophobicContact CZ-CD1 3.96Å; F1139-I1143 PolarHBondContact O-N 3.38Å; F1139-I1143 VanDerWaalsContact O-N 3.14Å; L1140-I1143 PolarHBondContact O-N 3.36Å; I1143-S1147 VanDerWaalsContact O-CB 3.31Å; I1143-S1147 WeakPolarHBondContact O-CB 3.44Å; I1143-S1147 PolarHBondContact O-N 3.31Å; I1143-S1147 PolarHBondContact O-OG 2.98Å |
| 1144 | I | 69.5 | Low | 67 | Low | 89 Ų | 89 | 94.2 Ų | 94.2 | 46% | 0.456 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 174.9 | -70.3 | 166.7 | 0 | 0 | 0 | 110.8 | L1140 S1147 L1148 | L1140-I1144 WeakPolarHBondContact O-CB 3.25Å; L1140-I1144 VanDerWaalsContact O-CG1 3.29Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.37Å; L1140-I1144 PolarHBondContact O-N 3.46Å; I1144-S1147 WeakPolarHBondContact CA-OG 3.45Å; I1144-S1147 PolarHBondContact O-OG 3.44Å; I1144-L1148 HydrophobicContact CG2-CD1 3.74Å; I1144-L1148 HydrophobicContact CG2-CG 4.32Å; I1144-L1148 WeakPolarHBondContact O-CB 3.35Å; I1144-L1148 WeakPolarHBondContact O-CG 3.37Å; I1144-L1148 PolarHBondContact O-N 3.38Å |
| 1145 | L | 73 | Confident | 66.8 | Low | 89 Ų | 89 | 94.9 Ų | 94.9 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 174 | -88.5 | 168.7 | 0 | 0 | 0 | 112.8 | F1141 N1142 A1149 | F1141-L1145 HydrophobicContact CD1-CD1 3.72Å; F1141-L1145 HydrophobicContact CD1-CG 4.5Å; F1141-L1145 HydrophobicContact CE1-CD1 3.49Å; F1141-L1145 VanDerWaalsContact CE1-CD1 3.49Å; F1141-L1145 HydrophobicContact CE1-CG 4.31Å; F1141-L1145 HydrophobicContact CZ-CD1 4.25Å; F1141-L1145 WeakPolarHBondContact O-CB 3.45Å; F1141-L1145 PolarHBondContact O-N 3.01Å; N1142-L1145 PolarHBondContact O-N 2.92Å; L1145-A1149 WeakPolarHBondContact O-CB 3.34Å; L1145-A1149 PolarHBondContact O-N 2.91Å |
| 1146 | L | 70.5 | Confident | 66.9 | Low | 122 Ų | 122 | 97.2 Ų | 97.2 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.8 | -39.2 | 178.7 | -77.7 | 166.6 | 0 | 0 | 0 | 112.2 | N1142 A1149 A1150 | N1142-L1146 WeakPolarHBondContact O-CB 3.19Å; N1142-L1146 WeakPolarHBondContact O-CG 3.36Å; N1142-L1146 PolarHBondContact O-N 3.42Å; L1146-A1149 PolarHBondContact O-N 3.18Å; L1146-A1150 VanDerWaalsContact O-CB 3.27Å; L1146-A1150 WeakPolarHBondContact O-CB 3.38Å; L1146-A1150 PolarHBondContact O-N 3.06Å |
| 1147 | S | 67 | Low | 66.8 | Low | 59 Ų | 59 | 97.1 Ų | 97.1 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.3 | -39.3 | 175.6 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | I1143 I1144 A1150 V1151 | I1143-S1147 VanDerWaalsContact O-CB 3.31Å; I1143-S1147 WeakPolarHBondContact O-CB 3.44Å; I1143-S1147 PolarHBondContact O-N 3.31Å; I1143-S1147 PolarHBondContact O-OG 2.98Å; I1144-S1147 WeakPolarHBondContact CA-OG 3.45Å; I1144-S1147 PolarHBondContact O-OG 3.44Å; S1147-A1150 PolarHBondContact O-N 2.79Å; S1147-V1151 VanDerWaalsContact O-CB 3.31Å; S1147-V1151 WeakPolarHBondContact O-CB 3.46Å; S1147-V1151 VanDerWaalsContact O-CG2 3.27Å; S1147-V1151 WeakPolarHBondContact O-CG2 3.33Å; S1147-V1151 PolarHBondContact O-N 3.46Å |
| 1148 | L | 69.2 | Low | 66.2 | Low | 100 Ų | 100 | 94.9 Ų | 94.9 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 170.8 | -72.8 | 173 | 0 | 0 | 0 | 112.1 | I1144 C1152 | I1144-L1148 HydrophobicContact CG2-CD1 3.74Å; I1144-L1148 HydrophobicContact CG2-CG 4.32Å; I1144-L1148 WeakPolarHBondContact O-CB 3.35Å; I1144-L1148 WeakPolarHBondContact O-CG 3.37Å; I1144-L1148 PolarHBondContact O-N 3.38Å; L1148-C1152 WeakPolarHBondContact O-CB 3.5Å; L1148-C1152 PolarHBondContact O-N 3.29Å; L1148-C1152 PolarHBondContact O-SG 2.89Å |
| 1149 | A | 71.9 | Confident | 65.3 | Low | 42 Ų | 42 | 101.6 Ų | 101.6 | 35% | 0.347 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -46.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1145 L1146 C1152 I1153 | L1145-A1149 WeakPolarHBondContact O-CB 3.34Å; L1145-A1149 PolarHBondContact O-N 2.91Å; L1146-A1149 PolarHBondContact O-N 3.18Å; A1149-C1152 CarbonylContact O-C 3.58Å; A1149-C1152 PolarHBondContact O-N 3.24Å; A1149-I1153 VanDerWaalsContact O-CB 3.3Å; A1149-I1153 WeakPolarHBondContact O-CB 3.27Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.18Å; A1149-I1153 PolarHBondContact O-N 3.37Å |
| 1150 | A | 69.5 | Low | 64.5 | Low | 50 Ų | 50 | 102.1 Ų | 102.1 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -48.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1146 S1147 C1152 I1153 E1154 | L1146-A1150 VanDerWaalsContact O-CB 3.27Å; L1146-A1150 WeakPolarHBondContact O-CB 3.38Å; L1146-A1150 PolarHBondContact O-N 3.06Å; S1147-A1150 PolarHBondContact O-N 2.79Å; A1150-C1152 VanDerWaalsContact C-N 3.31Å; A1150-C1152 PolarHBondContact O-N 2.64Å; A1150-I1153 PolarHBondContact O-N 3.11Å; A1150-I1153 VanDerWaalsContact O-N 3.15Å; A1150-E1154 WeakPolarHBondContact O-CB 3.47Å; A1150-E1154 PolarHBondContact O-N 3.31Å |
| 1151 | V | 66.4 | Low | 63.3 | Low | 63 Ų | 63 | 107 Ų | 107 | 38% | 0.382 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 175.8 | 169.3 | 0 | 0 | 0 | 0 | 111.8 | S1147 R1155 | S1147-V1151 VanDerWaalsContact O-CB 3.31Å; S1147-V1151 WeakPolarHBondContact O-CB 3.46Å; S1147-V1151 VanDerWaalsContact O-CG2 3.27Å; S1147-V1151 WeakPolarHBondContact O-CG2 3.33Å; S1147-V1151 PolarHBondContact O-N 3.46Å; V1151-R1155 HydrophobicContact CG1-CG 4.46Å; V1151-R1155 WeakPolarHBondContact O-CB 3.47Å; V1151-R1155 WeakPolarHBondContact O-CG 3.48Å; V1151-R1155 PolarHBondContact O-N 3.38Å |
| 1152 | C | 65.1 | Low | 61.8 | Low | 77 Ų | 77 | 107.5 Ų | 107.5 | 52% | 0.52 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.3 | -33 | 173.2 | -77.8 | 0 | 0 | 0 | 0 | 113.2 | L1148 A1149 A1150 R1156 | L1148-C1152 WeakPolarHBondContact O-CB 3.5Å; L1148-C1152 PolarHBondContact O-N 3.29Å; L1148-C1152 PolarHBondContact O-SG 2.89Å; A1149-C1152 CarbonylContact O-C 3.58Å; A1149-C1152 PolarHBondContact O-N 3.24Å; A1150-C1152 VanDerWaalsContact C-N 3.31Å; A1150-C1152 PolarHBondContact O-N 2.64Å; C1152-R1156 VanDerWaalsContact O-CB 3.26Å; C1152-R1156 WeakPolarHBondContact O-CB 3.4Å; C1152-R1156 WeakPolarHBondContact O-CG 3.43Å; C1152-R1156 PolarHBondContact O-N 2.97Å |
| 1153 | I | 65.2 | Low | 60.3 | Low | 98 Ų | 98 | 109.5 Ų | 109.5 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75.4 | -46 | 177.5 | -73 | 165.5 | 0 | 0 | 0 | 109.9 | A1149 A1150 R1156 I1157 | A1149-I1153 VanDerWaalsContact O-CB 3.3Å; A1149-I1153 WeakPolarHBondContact O-CB 3.27Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.18Å; A1149-I1153 PolarHBondContact O-N 3.37Å; A1150-I1153 PolarHBondContact O-N 3.11Å; A1150-I1153 VanDerWaalsContact O-N 3.15Å; I1153-R1156 CarbonylContact O-C 3.56Å; I1153-R1156 PolarHBondContact O-N 3.05Å; I1153-I1157 HydrophobicContact CG2-CD1 3.64Å; I1153-I1157 HydrophobicContact CG2-CG1 4.36Å; I1153-I1157 WeakPolarHBondContact O-CB 3.17Å; I1153-I1157 VanDerWaalsContact O-CG1 3.3Å; I1153-I1157 WeakPolarHBondContact O-CG1 3.35Å; I1153-I1157 PolarHBondContact O-N 2.9Å |
| 1154 | E | 61.7 | Low | 58.4 | Low | 142 Ų | 142 | 111.6 Ų | 111.6 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -44.3 | 170 | -76.3 | -152.7 | 119.2 | 0 | 0 | 111.6 | A1150 R1156 I1157 S1158 | A1150-E1154 WeakPolarHBondContact O-CB 3.47Å; A1150-E1154 PolarHBondContact O-N 3.31Å; E1154-R1156 VanDerWaalsContact C-N 3.28Å; E1154-R1156 PolarHBondContact O-N 2.9Å; E1154-I1157 PolarHBondContact O-N 3.12Å; E1154-S1158 WeakPolarHBondContact O-CA 3.17Å; E1154-S1158 WeakPolarHBondContact O-CB 3.45Å; E1154-S1158 PolarHBondContact O-N 2.94Å |
| 1155 | R | 56.7 | Low | 56.4 | Low | 156 Ų | 156 | 115.9 Ų | 115.9 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.5 | -30.1 | 173.9 | -75.5 | 175 | 166.2 | 177.4 | -4.4 | 112.3 | V1151 R1159 | V1151-R1155 HydrophobicContact CG1-CG 4.46Å; V1151-R1155 WeakPolarHBondContact O-CB 3.47Å; V1151-R1155 WeakPolarHBondContact O-CG 3.48Å; V1151-R1155 PolarHBondContact O-N 3.38Å; R1155-R1159 WeakPolarHBondContact O-CB 3.28Å; R1155-R1159 VanDerWaalsContact O-CD 3.24Å; R1155-R1159 WeakPolarHBondContact O-CD 3.49Å; R1155-R1159 WeakPolarHBondContact O-CG 3.29Å; R1155-R1159 PolarHBondContact O-N 2.94Å; R1155-R1159 VanDerWaalsContact O-N 3.13Å |
| 1156 | R | 59.4 | Low | 54.6 | Low | 191 Ų | 191 | 116.4 Ų | 116.4 | 72% | 0.721 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.5 | -43 | 171.9 | -87.8 | -179.8 | 160.8 | 175.4 | -4.4 | 112.8 | C1152 I1153 E1154 K1160 | C1152-R1156 VanDerWaalsContact O-CB 3.26Å; C1152-R1156 WeakPolarHBondContact O-CB 3.4Å; C1152-R1156 WeakPolarHBondContact O-CG 3.43Å; C1152-R1156 PolarHBondContact O-N 2.97Å; I1153-R1156 CarbonylContact O-C 3.56Å; I1153-R1156 PolarHBondContact O-N 3.05Å; E1154-R1156 VanDerWaalsContact C-N 3.28Å; E1154-R1156 PolarHBondContact O-N 2.9Å; R1156-K1160 VanDerWaalsContact O-CB 3.31Å; R1156-K1160 WeakPolarHBondContact O-CB 3.43Å; R1156-K1160 WeakPolarHBondContact O-CG 3.49Å; R1156-K1160 PolarHBondContact O-N 3.25Å |
| 1157 | I | 58 | Low | 52.9 | Low | 75 Ų | 75 | 117.7 Ų | 117.7 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.4 | -42.3 | -178.9 | -69.4 | 172.7 | 0 | 0 | 0 | 110.5 | I1153 E1154 K1160 R1161 | I1153-I1157 HydrophobicContact CG2-CD1 3.64Å; I1153-I1157 HydrophobicContact CG2-CG1 4.36Å; I1153-I1157 WeakPolarHBondContact O-CB 3.17Å; I1153-I1157 VanDerWaalsContact O-CG1 3.3Å; I1153-I1157 WeakPolarHBondContact O-CG1 3.35Å; I1153-I1157 PolarHBondContact O-N 2.9Å; E1154-I1157 PolarHBondContact O-N 3.12Å; I1157-K1160 CarbonylContact O-C 3.55Å; I1157-K1160 PolarHBondContact O-N 3.08Å; I1157-R1161 HydrophobicContact CG2-CG 4.36Å; I1157-R1161 WeakPolarHBondContact O-CB 3.41Å; I1157-R1161 VanDerWaalsContact O-CG 3.31Å; I1157-R1161 WeakPolarHBondContact O-CG 3.39Å; I1157-R1161 PolarHBondContact O-N 2.97Å |
| 1158 | S | 52.1 | Low | 51.5 | Low | 62 Ų | 62 | 124 Ų | 124 | 43% | 0.434 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -46.3 | 174.7 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | E1154 K1160 R1161 L1162 | E1154-S1158 WeakPolarHBondContact O-CA 3.17Å; E1154-S1158 WeakPolarHBondContact O-CB 3.45Å; E1154-S1158 PolarHBondContact O-N 2.94Å; S1158-K1160 VanDerWaalsContact C-N 3.31Å; S1158-K1160 PolarHBondContact O-N 3.46Å; S1158-R1161 PolarHBondContact O-N 2.78Å; S1158-R1161 VanDerWaalsContact O-N 3.12Å; S1158-L1162 WeakPolarHBondContact O-CB 3.5Å; S1158-L1162 PolarHBondContact O-N 2.74Å |
| 1159 | R | 50.5 | Low | 50.4 | Low | 173 Ų | 173 | 124.3 Ų | 124.3 | 65% | 0.653 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.8 | -38.4 | 171.9 | -72.7 | 171.7 | -172.8 | -172.1 | 0.9 | 112.4 | R1155 Q1163 | R1155-R1159 WeakPolarHBondContact O-CB 3.28Å; R1155-R1159 VanDerWaalsContact O-CD 3.24Å; R1155-R1159 WeakPolarHBondContact O-CD 3.49Å; R1155-R1159 WeakPolarHBondContact O-CG 3.29Å; R1155-R1159 PolarHBondContact O-N 2.94Å; R1155-R1159 VanDerWaalsContact O-N 3.13Å; R1159-Q1163 WeakPolarHBondContact O-CB 3.39Å; R1159-Q1163 VanDerWaalsContact O-CG 3.24Å; R1159-Q1163 WeakPolarHBondContact O-CG 3.47Å; R1159-Q1163 PolarHBondContact O-N 3.3Å; R1159-Q1163 PolarHBondContact O-OE1 2.87Å |
| 1160 | K | 47.7 | Very low | 49.3 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 68% | 0.683 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.6 | -23.8 | 174.6 | -78 | -172.5 | 171.4 | -166.2 | 0 | 114.6 | R1156 I1157 S1158 | R1156-K1160 VanDerWaalsContact O-CB 3.31Å; R1156-K1160 WeakPolarHBondContact O-CB 3.43Å; R1156-K1160 WeakPolarHBondContact O-CG 3.49Å; R1156-K1160 PolarHBondContact O-N 3.25Å; I1157-K1160 CarbonylContact O-C 3.55Å; I1157-K1160 PolarHBondContact O-N 3.08Å; S1158-K1160 VanDerWaalsContact C-N 3.31Å; S1158-K1160 PolarHBondContact O-N 3.46Å |
| 1161 | R | 43.3 | Very low | 48.4 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 74% | 0.736 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -87.8 | -28.4 | 177.2 | -75.2 | 179.1 | -177.9 | 172.9 | 2.3 | 112.9 | I1157 S1158 | I1157-R1161 HydrophobicContact CG2-CG 4.36Å; I1157-R1161 WeakPolarHBondContact O-CB 3.41Å; I1157-R1161 VanDerWaalsContact O-CG 3.31Å; I1157-R1161 WeakPolarHBondContact O-CG 3.39Å; I1157-R1161 PolarHBondContact O-N 2.97Å; S1158-R1161 PolarHBondContact O-N 2.78Å; S1158-R1161 VanDerWaalsContact O-N 3.12Å |
| 1162 | L | 41.5 | Very low | 47.7 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 1.6 | 173.6 | -86 | 145.5 | 0 | 0 | 0 | 114.3 | S1158 | S1158-L1162 WeakPolarHBondContact O-CB 3.5Å; S1158-L1162 PolarHBondContact O-N 2.74Å |
| 1163 | Q | 37.5 | Very low | 47.4 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -1.5 | 173.8 | -81.5 | -179.8 | -47.1 | 0 | 0 | 114.1 | R1159 | R1159-Q1163 WeakPolarHBondContact O-CB 3.39Å; R1159-Q1163 VanDerWaalsContact O-CG 3.24Å; R1159-Q1163 WeakPolarHBondContact O-CG 3.47Å; R1159-Q1163 PolarHBondContact O-N 3.3Å; R1159-Q1163 PolarHBondContact O-OE1 2.87Å |
| 1164 | N | 30.3 | Very low | 47.3 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 67% | 0.674 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -113.2 | 123.6 | 179.2 | -74.9 | -15.1 | 0 | 0 | 0 | 111.2 | ||
| 1165 | K | 29 | Very low | 47.4 | Very low | 179 Ų | 179 | 125.3 Ų | 125.3 | 78% | 0.778 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 80.7 | 136.4 | -167.1 | -54.4 | 177.1 | 177 | -175.2 | 0 | 113.8 | ||
| 1166 | P | 34.6 | Very low | 47.9 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 66% | 0.656 | 57% | 0.569 | S | S | * | * | S | Bend | cis | -99.1 | 70.8 | 1.4 | 38.6 | -32.4 | 0 | 0 | 0 | 113 | R1168 | P1166-R1168 VanDerWaalsContact C-N 3.28Š|
| 1167 | W | 33.6 | Very low | 48.1 | Very low | 149 Ų | 149 | 114.7 Ų | 114.7 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -84.9 | 3 | 170.6 | -98.5 | 85.1 | 0 | 0 | 0 | 113.7 | ||
| 1168 | R | 37.9 | Very low | 48.7 | Very low | 191 Ų | 191 | 113.2 Ų | 113.2 | 72% | 0.721 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -18.9 | -165.7 | -175 | 168.8 | -80.5 | -150.2 | -6 | 114.2 | P1166 W1172 | P1166-R1168 VanDerWaalsContact C-N 3.28Å; R1168-W1172 WeakPolarHBondContact O-CB 3.29Å |
| 1169 | D | 47.4 | Very low | 49.8 | Very low | 106 Ų | 106 | 110.5 Ų | 110.5 | 57% | 0.567 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -30.4 | -168.5 | -48.4 | -43 | 0 | 0 | 0 | 112.1 | W1172 E1173 | D1169-W1172 WeakPolarHBondContact O-CB 3.11Å; D1169-E1173 PolarHBondContact O-N 3.47Å |
| 1170 | E | 47.2 | Very low | 51.2 | Low | 82 Ų | 82 | 104.3 Ų | 104.3 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.6 | -40.4 | 176.4 | -58.4 | -175.8 | 128.7 | 0 | 0 | 112.3 | W1172 E1173 L1174 S1297 | E1170-W1172 PolarHBondContact O-N 2.88Å; E1170-E1173 PolarHBondContact O-N 2.92Å; E1170-L1174 PolarHBondContact O-N 2.61Å; E1170-L1174 VanDerWaalsContact O-N 3.16Å; E1170-S1297 WeakPolarHBondContact OE1-CB 3.45Å; E1170-S1297 WeakPolarHBondContact OE2-CB 3.15Å; E1170-S1297 PolarHBondContact OE2-OG 2.75Å |
| 1171 | E | 50.7 | Low | 52.8 | Low | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.2 | -28.1 | 172.8 | -166.9 | 172.4 | -132.5 | 0 | 0 | 111.1 | A1175 | E1171-A1175 PolarHBondContact O-N 3.2Å |
| 1172 | W | 52.8 | Low | 54.8 | Low | 177 Ų | 177 | 97.9 Ų | 97.9 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.9 | -51.9 | 171.7 | -176 | -82.2 | 0 | 0 | 0 | 111.9 | R1168 D1169 E1170 L1174 A1175 N1176 | R1168-W1172 WeakPolarHBondContact O-CB 3.29Å; D1169-W1172 WeakPolarHBondContact O-CB 3.11Å; E1170-W1172 PolarHBondContact O-N 2.88Å; W1172-L1174 VanDerWaalsContact C-N 3.28Å; W1172-L1174 PolarHBondContact O-N 2.99Å; W1172-A1175 PolarHBondContact O-N 2.82Å; W1172-A1175 VanDerWaalsContact O-N 3.16Å; W1172-N1176 WeakPolarHBondContact O-CB 3.4Å; W1172-N1176 PolarHBondContact O-N 2.93Å |
| 1173 | E | 59.1 | Low | 57 | Low | 33 Ų | 33 | 92.3 Ų | 92.3 | 15% | 0.154 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 179.8 | -67.2 | -76.7 | -147.9 | 0 | 0 | 112.6 | D1169 E1170 N1176 A1177 R1267 | D1169-E1173 PolarHBondContact O-N 3.47Å; E1170-E1173 PolarHBondContact O-N 2.92Å; E1173-N1176 WeakPolarHBondContact O-CB 3.49Å; E1173-N1176 PolarHBondContact O-N 3.12Å; E1173-N1176 PolarHBondContact OE2-ND2 3.32Å; E1173-A1177 WeakPolarHBondContact O-CB 3.11Å; E1173-A1177 PolarHBondContact O-N 2.85Å; E1173-R1267 IonicContact OE1-CZ 3.18Å; E1173-R1267 IonicContact OE1-NE 3.22Å; E1173-R1267 PolarHBondContact OE1-NE 3.49Å; E1173-R1267 IonicContact OE1-NH2 2.82Å; E1173-R1267 PolarHBondContact OE1-NH2 2.95Å |
| 1174 | L | 62.9 | Low | 59.4 | Low | 7 Ų | 7 | 88 Ų | 88 | 4% | 0.037 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 176.6 | -150.6 | 158.1 | 0 | 0 | 0 | 111.5 | E1170 W1172 I1179 Y1270 L1292 | E1170-L1174 PolarHBondContact O-N 2.61Å; E1170-L1174 VanDerWaalsContact O-N 3.16Å; W1172-L1174 VanDerWaalsContact C-N 3.28Å; W1172-L1174 PolarHBondContact O-N 2.99Å; L1174-I1179 HydrophobicContact CD2-CB 3.87Å; L1174-I1179 HydrophobicContact CD2-CG2 3.97Å; L1174-I1179 WeakPolarHBondContact CD2-O 3.41Å; L1174-I1179 PolarHBondContact O-N 3.24Å; L1174-Y1270 HydrophobicContact CB-CE1 4.4Å; L1174-Y1270 HydrophobicContact CD1-CE1 4.03Å; L1174-Y1270 HydrophobicContact CG-CE1 3.8Å; L1174-L1292 HydrophobicContact CD1-CD1 4.12Å; L1174-L1292 HydrophobicContact CD1-CD2 4.07Å |
| 1175 | A | 64.3 | Low | 62.3 | Low | 70 Ų | 70 | 82.1 Ų | 82.1 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -71.1 | -37.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1171 W1172 A1177 G1178 | E1171-A1175 PolarHBondContact O-N 3.2Å; W1172-A1175 PolarHBondContact O-N 2.82Å; W1172-A1175 VanDerWaalsContact O-N 3.16Å; A1175-A1177 VanDerWaalsContact C-N 3.25Å; A1175-A1177 PolarHBondContact O-N 2.75Å; A1175-G1178 PolarHBondContact O-N 3.29Å |
| 1176 | N | 65.9 | Low | 65 | Low | 111 Ų | 111 | 76.3 Ų | 76.3 | 59% | 0.594 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.5 | -36.1 | 177 | -142.4 | 19.3 | 0 | 0 | 0 | 111.2 | W1172 E1173 G1178 | W1172-N1176 WeakPolarHBondContact O-CB 3.4Å; W1172-N1176 PolarHBondContact O-N 2.93Å; E1173-N1176 WeakPolarHBondContact O-CB 3.49Å; E1173-N1176 PolarHBondContact O-N 3.12Å; E1173-N1176 PolarHBondContact OE2-ND2 3.32Å; N1176-G1178 PolarHBondContact O-N 3.12Å |
| 1177 | A | 64 | Low | 67.5 | Low | 12 Ų | 12 | 74.5 Ų | 74.5 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -0.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1173 A1175 I1179 S1274 | E1173-A1177 WeakPolarHBondContact O-CB 3.11Å; E1173-A1177 PolarHBondContact O-N 2.85Å; A1175-A1177 VanDerWaalsContact C-N 3.25Å; A1175-A1177 PolarHBondContact O-N 2.75Å; A1177-I1179 VanDerWaalsContact C-N 3.31Å; A1177-I1179 HydrophobicContact CB-CD1 4.49Å; A1177-I1179 HydrophobicContact CB-CG1 4.34Å; A1177-I1179 PolarHBondContact O-N 3.06Å; A1177-S1274 WeakPolarHBondContact O-CB 3.43Å; A1177-S1274 PolarHBondContact O-OG 3.49Å |
| 1178 | G | 70.7 | Confident | 69.9 | Low | 45 Ų | 45 | 74.5 Ų | 74.5 | 46% | 0.464 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 19.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1175 N1176 K1277 | A1175-G1178 PolarHBondContact O-N 3.29Å; N1176-G1178 PolarHBondContact O-N 3.12Å; G1178-K1277 PolarHBondContact O-NZ 3.23Å |
| 1179 | I | 75 | Confident | 72.2 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | trans | -95.4 | 102.4 | -179.9 | -55.9 | -177.4 | 0 | 0 | 0 | 109.1 | L1174 A1177 W1183 Y1270 A1273 I1290 | L1174-I1179 HydrophobicContact CD2-CB 3.87Å; L1174-I1179 HydrophobicContact CD2-CG2 3.97Å; L1174-I1179 WeakPolarHBondContact CD2-O 3.41Å; L1174-I1179 PolarHBondContact O-N 3.24Å; A1177-I1179 VanDerWaalsContact C-N 3.31Å; A1177-I1179 HydrophobicContact CB-CD1 4.49Å; A1177-I1179 HydrophobicContact CB-CG1 4.34Å; A1177-I1179 PolarHBondContact O-N 3.06Å; I1179-W1183 HydrophobicContact CG2-CB 4.02Å; I1179-Y1270 HydrophobicContact CD1-CD1 4.46Å; I1179-A1273 HydrophobicContact CD1-CB 3.7Å; I1179-I1290 HydrophobicContact CD1-CD1 3.63Å | ||
| 1180 | S | 80.3 | Confident | 74.1 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | trans | -67.4 | 145.4 | 175.5 | 30.9 | 0 | 0 | 0 | 0 | 112.3 | E1182 W1183 K1277 | S1180-E1182 WeakPolarHBondContact CB-OE1 3.38Å; S1180-E1182 PolarHBondContact O-N 2.82Å; S1180-E1182 PolarHBondContact OG-OE1 3.14Å; S1180-W1183 PolarHBondContact O-N 3.1Å; S1180-K1277 PolarHBondContact OG-NZ 2.78Å | ||
| 1181 | N | 80 | Confident | 76.1 | Confident | 107 Ų | 107 | 62.1 Ų | 62.1 | 57% | 0.572 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -56.6 | -21.1 | -176.1 | -67.4 | 5.7 | 0 | 0 | 0 | 114.7 | W1183 I1184 | N1181-W1183 PolarHBondContact O-N 3Å; N1181-I1184 HydrophobicContact CB-CD1 4.26Å; N1181-I1184 WeakPolarHBondContact O-CB 3.45Å; N1181-I1184 PolarHBondContact O-N 3.13Å; N1181-I1184 VanDerWaalsContact O-N 3.12Å |
| 1182 | E | 85.9 | Confident | 77.9 | Confident | 109 Ų | 109 | 57.4 Ų | 57.4 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -59.7 | -21.8 | 171.8 | 73.3 | -165.3 | 153.4 | 0 | 0 | 113.9 | S1180 T1216 P1217 | S1180-E1182 WeakPolarHBondContact CB-OE1 3.38Å; S1180-E1182 PolarHBondContact O-N 2.82Å; S1180-E1182 PolarHBondContact OG-OE1 3.14Å; E1182-T1216 WeakPolarHBondContact O-CA 3.3Å; E1182-T1216 WeakPolarHBondContact O-CG2 3.29Å; E1182-P1217 HydrophobicContact CG-CG 3.92Å |
| 1183 | W | 88.6 | Confident | 79.5 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -90.2 | 0.6 | 177.7 | -66.9 | 87.7 | 0 | 0 | 0 | 113.3 | I1179 S1180 N1181 P1217 A1218 K1277 F1287 G1289 I1290 | I1179-W1183 HydrophobicContact CG2-CB 4.02Å; S1180-W1183 PolarHBondContact O-N 3.1Å; N1181-W1183 PolarHBondContact O-N 3Å; W1183-P1217 HydrophobicContact CD2-CG 4.33Å; W1183-P1217 HydrophobicContact CH2-CB 3.98Å; W1183-P1217 HydrophobicContact CH2-CG 4.4Å; W1183-P1217 HydrophobicContact CZ2-CB 3.72Å; W1183-P1217 HydrophobicContact CZ2-CG 3.79Å; W1183-A1218 HydrophobicContact CZ3-CB 4.24Å; W1183-K1277 HydrophobicContact CD2-CD 4.33Å; W1183-K1277 HydrophobicContact CD2-CG 4.38Å; W1183-K1277 HydrophobicContact CG-CD 4.37Å; W1183-K1277 HydrophobicContact CH2-CG 4.43Å; W1183-K1277 HydrophobicContact CZ2-CG 4.04Å; W1183-F1287 HydrophobicContact CD2-CE1 4.12Å; W1183-F1287 AromaticContact CE3-CD1 3.68Å; W1183-F1287 HydrophobicContact CE3-CD1 3.68Å; W1183-F1287 AromaticContact CE3-CE1 3.47Å; W1183-F1287 HydrophobicContact CE3-CE1 3.47Å; W1183-F1287 VanDerWaalsContact CE3-CE1 3.47Å; W1183-F1287 AromaticContact CZ3-CD1 3.69Å; W1183-F1287 HydrophobicContact CZ3-CD1 3.69Å; W1183-F1287 AromaticContact CZ3-CE1 3.99Å; W1183-F1287 HydrophobicContact CZ3-CE1 3.99Å; W1183-G1289 CarbonylContact O-C 3.6Å; W1183-G1289 WeakPolarHBondContact O-CA 3.18Å; W1183-I1290 PolarHBondContact O-N 3.24Å |
| 1184 | I | 88.1 | Confident | 80.5 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -85.5 | 117.8 | 178.2 | -57 | 176 | 0 | 0 | 0 | 109.3 | N1181 I1290 | N1181-I1184 HydrophobicContact CB-CD1 4.26Å; N1181-I1184 WeakPolarHBondContact O-CB 3.45Å; N1181-I1184 PolarHBondContact O-N 3.13Å; N1181-I1184 VanDerWaalsContact O-N 3.12Å; I1184-I1290 CarbonylContact C-O 3.21Å; I1184-I1290 WeakPolarHBondContact CA-O 3.33Å |
| 1185 | I | 89.6 | Confident | 81 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 125.1 | 169.5 | -60 | 176.3 | 0 | 0 | 0 | 107.6 | M1187 D1189 L1190 V1211 L1214 T1216 I1290 A1291 I1302 | I1185-M1187 PolarHBondContact O-N 2.88Å; I1185-D1189 HydrophobicContact CG2-CB 4.38Å; I1185-L1190 HydrophobicContact CG2-CB 4.35Å; I1185-V1211 HydrophobicContact CD1-CG2 4.34Å; I1185-L1214 HydrophobicContact CD1-CD1 3.61Å; I1185-L1214 HydrophobicContact CG1-CD1 4.18Å; I1185-T1216 HydrophobicContact CD1-CG2 4.42Å; I1185-T1216 HydrophobicContact CG1-CG2 3.66Å; I1185-I1290 PolarHBondContact N-O 3.14Å; I1185-A1291 WeakPolarHBondContact O-CB 3.21Å; I1185-I1302 HydrophobicContact CD1-CB 4.09Å; I1185-I1302 HydrophobicContact CD1-CD1 4.14Å; I1185-I1302 HydrophobicContact CD1-CG1 4.08Å; I1185-I1302 HydrophobicContact CD1-CG2 4.24Å |
| 1186 | P | 87.2 | Confident | 81.2 | Confident | 57 Ų | 57 | 58.6 Ų | 58.6 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 135.8 | 174.9 | -23 | 34.2 | 0 | 0 | 0 | 111.1 | N1188 D1189 | P1186-N1188 PolarHBondContact O-N 3.31Å; P1186-D1189 WeakPolarHBondContact CB-OD2 3.2Å; P1186-D1189 WeakPolarHBondContact CG-OD2 3.32Å; P1186-D1189 PolarHBondContact O-N 2.85Å |
| 1187 | M | 85.7 | Confident | 82 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -62.7 | -18.7 | -178.4 | -164.7 | 67.4 | -115.1 | 0 | 0 | 113 | I1185 L1190 I1192 A1291 | I1185-M1187 PolarHBondContact O-N 2.88Å; M1187-L1190 HydrophobicContact CE-CB 3.95Å; M1187-L1190 HydrophobicContact CE-CD2 3.87Å; M1187-L1190 HydrophobicContact CE-CG 3.89Å; M1187-L1190 VanDerWaalsContact CE-O 3.23Å; M1187-L1190 WeakPolarHBondContact CE-O 3.45Å; M1187-L1190 HydrophobicContact SD-CD2 4.44Å; M1187-I1192 HydrophobicContact CE-CD1 4.03Å; M1187-I1192 HydrophobicContact CE-CG1 4.31Å; M1187-A1291 HydrophobicContact SD-CB 4.16Å |
| 1188 | N | 84.2 | Confident | 82.9 | Confident | 149 Ų | 149 | 59.3 Ų | 59.3 | 80% | 0.797 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -74.1 | -25.5 | 172.3 | -66.1 | -2.5 | 0 | 0 | 0 | 113 | P1186 L1190 | P1186-N1188 PolarHBondContact O-N 3.31Å; N1188-L1190 VanDerWaalsContact C-N 3.34Å |
| 1189 | D | 87 | Confident | 83.2 | Confident | 40 Ų | 40 | 58.7 Ų | 58.7 | 21% | 0.214 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -89.8 | 1.5 | 177.4 | -67.2 | -59.4 | 0 | 0 | 0 | 112.2 | I1185 P1186 V1211 L1212 R1213 | I1185-D1189 HydrophobicContact CG2-CB 4.38Å; P1186-D1189 WeakPolarHBondContact CB-OD2 3.2Å; P1186-D1189 WeakPolarHBondContact CG-OD2 3.32Å; P1186-D1189 PolarHBondContact O-N 2.85Å; D1189-V1211 CarbonylContact O-C 3.56Å; D1189-V1211 WeakPolarHBondContact O-CA 3.21Å; D1189-L1212 HydrophobicContact CB-CB 4.49Å; D1189-L1212 PolarHBondContact O-N 2.85Å; D1189-R1213 HydrophobicContact CB-CB 4.37Å |
| 1190 | L | 87.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116 | -177.8 | 176.6 | 64.3 | 0 | 0 | 0 | 111.9 | I1185 M1187 N1188 I1192 V1211 V1252 V1254 A1291 V1300 I1302 | I1185-L1190 HydrophobicContact CG2-CB 4.35Å; M1187-L1190 HydrophobicContact CE-CB 3.95Å; M1187-L1190 HydrophobicContact CE-CD2 3.87Å; M1187-L1190 HydrophobicContact CE-CG 3.89Å; M1187-L1190 VanDerWaalsContact CE-O 3.23Å; M1187-L1190 WeakPolarHBondContact CE-O 3.45Å; M1187-L1190 HydrophobicContact SD-CD2 4.44Å; N1188-L1190 VanDerWaalsContact C-N 3.34Å; L1190-I1192 HydrophobicContact CD2-CD1 4.41Å; L1190-I1192 HydrophobicContact CD2-CG1 4.37Å; L1190-I1192 HydrophobicContact CG-CG1 4.16Å; L1190-V1211 HydrophobicContact CD1-CG2 3.82Å; L1190-V1252 HydrophobicContact CD1-CG2 4.23Å; L1190-V1254 HydrophobicContact CD1-CG2 4.13Å; L1190-A1291 HydrophobicContact CD2-CB 3.69Å; L1190-V1300 HydrophobicContact CD2-CG2 4.17Å; L1190-I1302 HydrophobicContact CD1-CG1 4.32Å; L1190-I1302 HydrophobicContact CD2-CD1 4.04Å; L1190-I1302 HydrophobicContact CD2-CG1 3.92Å |
| 1191 | I | 88.3 | Confident | 82.5 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 38% | 0.379 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.1 | 170.3 | -60.2 | 167.8 | 0 | 0 | 0 | 108.5 | G1209 C1210 I1242 | I1191-G1209 CarbonylContact O-C 3.55Å; I1191-G1209 WeakPolarHBondContact O-CA 3.4Å; I1191-C1210 HydrophobicContact CB-CB 4.23Å; I1191-C1210 PolarHBondContact N-O 2.79Å; I1191-C1210 PolarHBondContact O-N 2.85Å; I1191-I1242 HydrophobicContact CD1-CD1 3.5Å; I1191-I1242 VanDerWaalsContact CD1-CD1 3.5Å; I1191-I1242 HydrophobicContact CD1-CG1 3.89Å |
| 1192 | I | 88.1 | Confident | 81.6 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123 | 179 | -53.1 | 175.6 | 0 | 0 | 0 | 108.8 | M1187 L1190 T1194 Y1207 V1254 | M1187-I1192 HydrophobicContact CE-CD1 4.03Å; M1187-I1192 HydrophobicContact CE-CG1 4.31Å; L1190-I1192 HydrophobicContact CD2-CD1 4.41Å; L1190-I1192 HydrophobicContact CD2-CG1 4.37Å; L1190-I1192 HydrophobicContact CG-CG1 4.16Å; I1192-T1194 HydrophobicContact CG2-CG2 4.34Å; I1192-T1194 PolarHBondContact O-N 3.47Å; I1192-Y1207 HydrophobicContact CG2-CD2 4.37Å; I1192-Y1207 HydrophobicContact CG2-CG 4.16Å; I1192-V1254 HydrophobicContact CD1-CG1 3.99Å; I1192-V1254 HydrophobicContact CG1-CG1 4.3Å; I1192-V1254 HydrophobicContact CG1-CG2 4.48Å |
| 1193 | D | 86 | Confident | 80.5 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 93.8 | 171 | 175.3 | -2.5 | 0 | 0 | 0 | 108.7 | D1195 T1196 Y1207 K1208 | D1193-D1195 PolarHBondContact O-N 2.94Å; D1193-D1195 PolarHBondContact OD1-N 3.27Å; D1193-T1196 PolarHBondContact OD1-N 2.9Å; D1193-T1196 PolarHBondContact OD1-OG1 3.34Å; D1193-T1196 WeakPolarHBondContact OD2-CB 3.22Å; D1193-T1196 PolarHBondContact OD2-OG1 2.8Å; D1193-Y1207 WeakPolarHBondContact O-CD1 3.35Å; D1193-K1208 HydrophobicContact CB-CB 4.29Å; D1193-K1208 PolarHBondContact N-O 3.06Å |
| 1194 | T | 81.6 | Confident | 79.9 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -14.4 | 178.2 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | I1192 Y1207 | I1192-T1194 HydrophobicContact CG2-CG2 4.34Å; I1192-T1194 PolarHBondContact O-N 3.47Å; T1194-Y1207 VanDerWaalsContact O-CE1 3.32Å; T1194-Y1207 WeakPolarHBondContact O-CE1 3.42Å |
| 1195 | D | 73.7 | Confident | 79.7 | Confident | 133 Ų | 133 | 60.4 Ų | 60.4 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -18.7 | -174.3 | -56.3 | -13.3 | 0 | 0 | 0 | 111.1 | D1193 P1197 | D1193-D1195 PolarHBondContact O-N 2.94Å; D1193-D1195 PolarHBondContact OD1-N 3.27Å; D1195-P1197 WeakPolarHBondContact O-CD 3.4Å |
| 1196 | T | 68.5 | Low | 79.6 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 75.2 | 172.8 | -47 | 0 | 0 | 0 | 0 | 112.1 | D1193 L1198 K1208 | D1193-T1196 PolarHBondContact OD1-N 2.9Å; D1193-T1196 PolarHBondContact OD1-OG1 3.34Å; D1193-T1196 WeakPolarHBondContact OD2-CB 3.22Å; D1193-T1196 PolarHBondContact OD2-OG1 2.8Å; T1196-L1198 HydrophobicContact CG2-CD2 4.45Å; T1196-L1198 PolarHBondContact O-N 3.32Å; T1196-K1208 PolarHBondContact O-N 2.9Å |
| 1197 | P | 82 | Confident | 79.8 | Confident | 67 Ų | 67 | 61 Ų | 61 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 127.6 | 168.6 | 28 | -33.5 | 0 | 0 | 0 | 110.5 | D1195 M1205 V1206 Y1207 | D1195-P1197 WeakPolarHBondContact O-CD 3.4Å; P1197-M1205 HydrophobicContact CB-CE 3.68Å; P1197-V1206 CarbonylContact C-O 3.53Å; P1197-Y1207 HydrophobicContact CB-CD1 4.18Å; P1197-Y1207 HydrophobicContact CB-CE1 4.06Å |
| 1198 | L | 82 | Confident | 80 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -28.3 | 178.3 | -58.5 | 179.5 | 0 | 0 | 0 | 112.3 | T1196 V1206 K1208 A1253 Y1305 | T1196-L1198 HydrophobicContact CG2-CD2 4.45Å; T1196-L1198 PolarHBondContact O-N 3.32Å; L1198-V1206 HydrophobicContact CB-CB 4.46Å; L1198-V1206 HydrophobicContact CB-CG1 4.19Å; L1198-V1206 HydrophobicContact CD1-CG1 4.38Å; L1198-V1206 PolarHBondContact N-O 2.92Å; L1198-K1208 HydrophobicContact CD1-CB 4.18Å; L1198-K1208 HydrophobicContact CD2-CB 4.24Å; L1198-K1208 HydrophobicContact CG-CB 4.28Å; L1198-A1253 HydrophobicContact CD1-CB 4.18Å; L1198-Y1305 HydrophobicContact CD1-CD2 3.86Å; L1198-Y1305 HydrophobicContact CD1-CE2 3.68Å; L1198-Y1305 HydrophobicContact CD2-CE2 3.92Å; L1198-Y1305 HydrophobicContact CG-CE2 4.48Å |
| 1199 | G | 77 | Confident | 80.3 | Confident | 33 Ų | 33 | 53 Ų | 53 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1206 | G1199-V1206 PolarHBondContact N-O 3.36Å; G1199-V1206 PolarHBondContact O-N 3.42Å |
| 1200 | R | 76.2 | Confident | 80.5 | Confident | 194 Ų | 194 | 51.6 Ų | 51.6 | 73% | 0.732 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.3 | 175.9 | -176.2 | 177.7 | -173.2 | -167.5 | 1.3 | 108.4 | M1205 F1258 | R1200-M1205 HydrophobicContact CB-CE 4.45Å; R1200-M1205 HydrophobicContact CB-SD 3.8Å; R1200-M1205 HydrophobicContact CG-SD 3.69Å; R1200-F1258 HydrophobicContact CG-CZ 4.13Å |
| 1201 | G | 64.7 | Low | 80.6 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -177 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F1203 G1204 | G1201-F1203 VanDerWaalsContact C-N 3.3Å; G1201-F1203 PolarHBondContact O-N 3.31Å; G1201-G1204 PolarHBondContact N-O 3.22Å; G1201-G1204 PolarHBondContact O-N 2.98Å |
| 1202 | S | 60.8 | Low | 80.5 | Confident | 95 Ų | 95 | 50 Ų | 50 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -43.8 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1203 | F | 63.4 | Low | 80.3 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -11.1 | -172.7 | -52.3 | -66.4 | 0 | 0 | 0 | 114.6 | G1201 L1257 F1258 E1268 F1269 | G1201-F1203 VanDerWaalsContact C-N 3.3Å; G1201-F1203 PolarHBondContact O-N 3.31Å; F1203-L1257 HydrophobicContact CB-CD2 4.05Å; F1203-L1257 CarbonylContact O-C 3.47Å; F1203-L1257 WeakPolarHBondContact O-CA 3.32Å; F1203-F1258 VanDerWaalsContact O-CD2 3.27Å; F1203-F1258 WeakPolarHBondContact O-CD2 3.44Å; F1203-F1258 PolarHBondContact O-N 3.44Å; F1203-E1268 HydrophobicContact CE1-CB 3.74Å; F1203-E1268 WeakPolarHBondContact CE1-OE2 3.26Å; F1203-E1268 HydrophobicContact CZ-CB 3.73Å; F1203-E1268 WeakPolarHBondContact CZ-OE2 3.43Å; F1203-F1269 HydrophobicContact CB-CD2 3.92Å; F1203-F1269 HydrophobicContact CB-CE2 4.33Å; F1203-F1269 HydrophobicContact CD2-CD2 4.27Å; F1203-F1269 HydrophobicContact CG-CD2 4.28Å |
| 1204 | G | 75.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.9 | -147.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G1201 T1256 F1258 | G1201-G1204 PolarHBondContact N-O 3.22Å; G1201-G1204 PolarHBondContact O-N 2.98Å; G1204-T1256 CarbonylContact C-O 3.54Å; G1204-T1256 WeakPolarHBondContact CA-O 3.46Å; G1204-F1258 VanDerWaalsContact CA-CE2 3.44Å; G1204-F1258 VanDerWaalsContact N-CE2 3.27Å |
| 1205 | M | 84.2 | Confident | 80.4 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 20% | 0.202 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 149.5 | -172.2 | -66.9 | -61.8 | -61.9 | 0 | 0 | 111.4 | P1197 R1200 Y1207 T1256 F1258 | P1197-M1205 HydrophobicContact CB-CE 3.68Å; R1200-M1205 HydrophobicContact CB-CE 4.45Å; R1200-M1205 HydrophobicContact CB-SD 3.8Å; R1200-M1205 HydrophobicContact CG-SD 3.69Å; M1205-Y1207 HydrophobicContact CB-CD2 4.24Å; M1205-Y1207 HydrophobicContact CB-CE2 3.49Å; M1205-Y1207 VanDerWaalsContact CB-CE2 3.49Å; M1205-Y1207 HydrophobicContact CG-CE2 4.43Å; M1205-T1256 PolarHBondContact N-O 3.44Å; M1205-T1256 PolarHBondContact O-N 3.41Å; M1205-T1256 PolarHBondContact O-OG1 3.29Å; M1205-F1258 HydrophobicContact CG-CE1 4.27Å; M1205-F1258 HydrophobicContact SD-CE1 4.41Å |
| 1206 | V | 88.4 | Confident | 81.1 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 16% | 0.164 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.1 | 168.9 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | P1197 L1198 G1199 A1253 V1254 K1255 | P1197-V1206 CarbonylContact C-O 3.53Å; L1198-V1206 HydrophobicContact CB-CB 4.46Å; L1198-V1206 HydrophobicContact CB-CG1 4.19Å; L1198-V1206 HydrophobicContact CD1-CG1 4.38Å; L1198-V1206 PolarHBondContact N-O 2.92Å; G1199-V1206 PolarHBondContact N-O 3.36Å; G1199-V1206 PolarHBondContact O-N 3.42Å; V1206-A1253 HydrophobicContact CG1-CB 4.19Å; V1206-V1254 WeakPolarHBondContact CA-O 3.25Å; V1206-K1255 HydrophobicContact CG2-CB 4.39Å; V1206-K1255 HydrophobicContact CG2-CG 4.11Å |
| 1207 | Y | 91 | Very high | 81.9 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 162 | 177.5 | -64.9 | -78 | 0 | 0 | 0 | 111.2 | I1192 D1193 T1194 P1197 M1205 V1254 T1256 | I1192-Y1207 HydrophobicContact CG2-CD2 4.37Å; I1192-Y1207 HydrophobicContact CG2-CG 4.16Å; D1193-Y1207 WeakPolarHBondContact O-CD1 3.35Å; T1194-Y1207 VanDerWaalsContact O-CE1 3.32Å; T1194-Y1207 WeakPolarHBondContact O-CE1 3.42Å; P1197-Y1207 HydrophobicContact CB-CD1 4.18Å; P1197-Y1207 HydrophobicContact CB-CE1 4.06Å; M1205-Y1207 HydrophobicContact CB-CD2 4.24Å; M1205-Y1207 HydrophobicContact CB-CE2 3.49Å; M1205-Y1207 VanDerWaalsContact CB-CE2 3.49Å; M1205-Y1207 HydrophobicContact CG-CE2 4.43Å; Y1207-V1254 PolarHBondContact N-O 3.26Å; Y1207-V1254 PolarHBondContact O-N 3.45Å; Y1207-T1256 HydrophobicContact CD2-CG2 3.84Å; Y1207-T1256 HydrophobicContact CE2-CG2 4.12Å |
| 1208 | K | 90.1 | Very high | 82.1 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 17% | 0.17 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 147.4 | 163.3 | -162.3 | 174.9 | -172.3 | -177 | 0 | 109.3 | D1193 T1196 L1198 E1251 Y1305 | D1193-K1208 HydrophobicContact CB-CB 4.29Å; D1193-K1208 PolarHBondContact N-O 3.06Å; T1196-K1208 PolarHBondContact O-N 2.9Å; L1198-K1208 HydrophobicContact CD1-CB 4.18Å; L1198-K1208 HydrophobicContact CD2-CB 4.24Å; L1198-K1208 HydrophobicContact CG-CB 4.28Å; K1208-E1251 VanDerWaalsContact CE-CD 3.41Å; K1208-E1251 WeakPolarHBondContact CE-OE1 3.29Å; K1208-E1251 WeakPolarHBondContact CE-OE2 3.28Å; K1208-E1251 IonicContact NZ-OE1 2.64Å; K1208-E1251 PolarHBondContact NZ-OE1 2.9Å; K1208-E1251 IonicContact NZ-OE2 2.74Å; K1208-E1251 PolarHBondContact NZ-OE2 3.4Å; K1208-Y1305 HydrophobicContact CD-CE2 4.04Å; K1208-Y1305 HydrophobicContact CG-CD2 4.23Å; K1208-Y1305 HydrophobicContact CG-CE2 4.06Å |
| 1209 | G | 90.3 | Very high | 82.1 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | I1191 V1252 | I1191-G1209 CarbonylContact O-C 3.55Å; I1191-G1209 WeakPolarHBondContact O-CA 3.4Å; G1209-V1252 VanDerWaalsContact C-CG2 3.4Å; G1209-V1252 PolarHBondContact N-O 2.95Å; G1209-V1252 PolarHBondContact O-N 3.48Å |
| 1210 | C | 90.6 | Very high | 82.1 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 117.7 | -179.2 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | I1191 C1240 L1250 | I1191-C1210 HydrophobicContact CB-CB 4.23Å; I1191-C1210 PolarHBondContact N-O 2.79Å; I1191-C1210 PolarHBondContact O-N 2.85Å; C1210-C1240 WeakPolarHBondContact CA-SG 3.32Å; C1210-C1240 HydrophobicContact CB-CB 3.68Å; C1210-C1240 WeakPolarHBondContact CB-SG 3.16Å; C1210-C1240 WeakPolarHBondContact SG-CB 3.37Å; C1210-C1240 CovalentContact SG-SG 2.02Å; C1210-C1240 PolarHBondContact SG-SG 3.17Å; C1210-L1250 WeakPolarHBondContact CA-O 3.13Å |
| 1211 | V | 90.1 | Very high | 81.9 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.3 | 173 | 171.9 | 0 | 0 | 0 | 0 | 109 | I1185 D1189 L1190 R1213 L1214 G1249 L1250 V1252 I1302 | I1185-V1211 HydrophobicContact CD1-CG2 4.34Å; D1189-V1211 CarbonylContact O-C 3.56Å; D1189-V1211 WeakPolarHBondContact O-CA 3.21Å; L1190-V1211 HydrophobicContact CD1-CG2 3.82Å; V1211-R1213 VanDerWaalsContact CG1-O 3.31Å; V1211-R1213 WeakPolarHBondContact CG1-O 3.23Å; V1211-L1214 HydrophobicContact CG1-CB 4.15Å; V1211-L1214 HydrophobicContact CG1-CD1 4.21Å; V1211-G1249 CarbonylContact O-C 3.58Å; V1211-G1249 WeakPolarHBondContact O-CA 3.44Å; V1211-L1250 HydrophobicContact CB-CB 4.48Å; V1211-L1250 PolarHBondContact N-O 3.37Å; V1211-L1250 PolarHBondContact O-N 3.36Å; V1211-V1252 HydrophobicContact CB-CG1 4.34Å; V1211-V1252 HydrophobicContact CG2-CG1 3.82Å; V1211-V1252 HydrophobicContact CG2-CG2 3.95Å; V1211-I1302 HydrophobicContact CG2-CG2 4.15Å |
| 1212 | L | 86.1 | Confident | 82.4 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -71.3 | -42.3 | 176.7 | -77.9 | 171 | 0 | 0 | 0 | 112 | D1189 I1242 | D1189-L1212 HydrophobicContact CB-CB 4.49Å; D1189-L1212 PolarHBondContact O-N 2.85Å; L1212-I1242 HydrophobicContact CD2-CD1 3.43Å; L1212-I1242 VanDerWaalsContact CD2-CD1 3.43Å; L1212-I1242 HydrophobicContact CG-CD1 4.2Å |
| 1213 | R | 85.1 | Confident | 82.9 | Confident | 119 Ų | 119 | 42.1 Ų | 42.1 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | trans | -142.1 | 123.5 | -177.7 | -167.1 | -179.3 | -172.5 | -175.1 | 1.4 | 110.3 | D1189 V1211 N1228 G1229 | D1189-R1213 HydrophobicContact CB-CB 4.37Å; V1211-R1213 VanDerWaalsContact CG1-O 3.31Å; V1211-R1213 WeakPolarHBondContact CG1-O 3.23Å; R1213-N1228 VanDerWaalsContact CZ-O 3.3Å; R1213-N1228 PolarHBondContact NE-O 2.92Å; R1213-N1228 PolarHBondContact NH2-O 3.14Å; R1213-G1229 CarbonylContact C-O 3.57Å; R1213-G1229 WeakPolarHBondContact CA-O 3.36Å | ||
| 1214 | L | 85.5 | Confident | 83.3 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | trans | -105.1 | 98.3 | 176.2 | -166.9 | 71.2 | 0 | 0 | 0 | 109.6 | I1185 V1211 T1216 A1218 S1219 L1222 I1225 G1229 L1288 | I1185-L1214 HydrophobicContact CD1-CD1 3.61Å; I1185-L1214 HydrophobicContact CG1-CD1 4.18Å; V1211-L1214 HydrophobicContact CG1-CB 4.15Å; V1211-L1214 HydrophobicContact CG1-CD1 4.21Å; L1214-T1216 HydrophobicContact CD1-CG2 4.34Å; L1214-T1216 WeakPolarHBondContact CD1-OG1 3.3Å; L1214-A1218 HydrophobicContact CD2-CB 4.32Å; L1214-S1219 WeakPolarHBondContact O-CB 3.39Å; L1214-L1222 HydrophobicContact CD2-CD1 3.81Å; L1214-I1225 HydrophobicContact CB-CD1 3.9Å; L1214-I1225 HydrophobicContact CD2-CD1 3.65Å; L1214-I1225 HydrophobicContact CG-CD1 4.41Å; L1214-G1229 PolarHBondContact N-O 3.29Å; L1214-G1229 VanDerWaalsContact O-CA 3.32Å; L1214-G1229 WeakPolarHBondContact O-CA 3.5Å; L1214-L1288 HydrophobicContact CD1-CB 4.3Å; L1214-L1288 HydrophobicContact CD2-CD2 4.47Å | ||
| 1215 | S | 83 | Confident | 83.1 | Confident | 73 Ų | 73 | 43 Ų | 43 | 51% | 0.51 | 23% | 0.227 | S | C | . | . | trans | -91 | -2.3 | 176.6 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1216 | T | 88.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -77.6 | 163 | -177.2 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | E1182 I1185 L1214 A1218 S1219 L1288 | E1182-T1216 WeakPolarHBondContact O-CA 3.3Å; E1182-T1216 WeakPolarHBondContact O-CG2 3.29Å; I1185-T1216 HydrophobicContact CD1-CG2 4.42Å; I1185-T1216 HydrophobicContact CG1-CG2 3.66Å; L1214-T1216 HydrophobicContact CD1-CG2 4.34Å; L1214-T1216 WeakPolarHBondContact CD1-OG1 3.3Å; T1216-A1218 PolarHBondContact O-N 3.06Å; T1216-S1219 VanDerWaalsContact O-CB 3.29Å; T1216-S1219 WeakPolarHBondContact O-CB 3.37Å; T1216-S1219 PolarHBondContact O-N 2.82Å; T1216-S1219 PolarHBondContact O-OG 2.87Å; T1216-L1288 WeakPolarHBondContact CB-O 3.39Å; T1216-L1288 WeakPolarHBondContact CG2-O 3.39Å; T1216-L1288 PolarHBondContact OG1-O 2.94Å |
| 1217 | P | 86.6 | Confident | 82 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -56.5 | -24.5 | 177.9 | -28 | 36.7 | 0 | 0 | 0 | 114.7 | E1182 W1183 S1219 Q1220 | E1182-P1217 HydrophobicContact CG-CG 3.92Å; W1183-P1217 HydrophobicContact CD2-CG 4.33Å; W1183-P1217 HydrophobicContact CH2-CB 3.98Å; W1183-P1217 HydrophobicContact CH2-CG 4.4Å; W1183-P1217 HydrophobicContact CZ2-CB 3.72Å; W1183-P1217 HydrophobicContact CZ2-CG 3.79Å; P1217-S1219 PolarHBondContact O-N 3.49Å; P1217-S1219 VanDerWaalsContact O-N 3.16Å; P1217-Q1220 WeakPolarHBondContact O-CB 3.42Å; P1217-Q1220 PolarHBondContact O-N 3.3Å; P1217-Q1220 VanDerWaalsContact O-N 3.13Å |
| 1218 | A | 84.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -59.2 | -22.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1183 L1214 T1216 Q1220 Q1221 L1222 L1288 | W1183-A1218 HydrophobicContact CZ3-CB 4.24Å; L1214-A1218 HydrophobicContact CD2-CB 4.32Å; T1216-A1218 PolarHBondContact O-N 3.06Å; A1218-Q1220 VanDerWaalsContact C-N 3.25Å; A1218-Q1220 PolarHBondContact O-N 3.03Å; A1218-Q1221 WeakPolarHBondContact O-CB 3.4Å; A1218-Q1221 PolarHBondContact O-N 2.94Å; A1218-Q1221 VanDerWaalsContact O-N 3.11Å; A1218-L1222 PolarHBondContact O-N 3.41Å; A1218-L1288 HydrophobicContact CB-CD2 3.95Å |
| 1219 | S | 83.5 | Confident | 79.8 | Confident | 28 Ų | 28 | 48.3 Ų | 48.3 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -56.6 | -36.6 | 173.1 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | L1214 T1216 P1217 Q1221 L1222 | L1214-S1219 WeakPolarHBondContact O-CB 3.39Å; T1216-S1219 VanDerWaalsContact O-CB 3.29Å; T1216-S1219 WeakPolarHBondContact O-CB 3.37Å; T1216-S1219 PolarHBondContact O-N 2.82Å; T1216-S1219 PolarHBondContact O-OG 2.87Å; P1217-S1219 PolarHBondContact O-N 3.49Å; P1217-S1219 VanDerWaalsContact O-N 3.16Å; S1219-Q1221 PolarHBondContact O-N 3.29Å; S1219-L1222 PolarHBondContact O-N 2.7Å; S1219-L1222 VanDerWaalsContact O-N 3.15Å |
| 1220 | Q | 77.1 | Confident | 79.1 | Confident | 174 Ų | 174 | 52 Ų | 52 | 81% | 0.813 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -68 | -22.4 | 179.8 | -58.3 | -179.3 | 3.2 | 0 | 0 | 112.7 | P1217 A1218 | P1217-Q1220 WeakPolarHBondContact O-CB 3.42Å; P1217-Q1220 PolarHBondContact O-N 3.3Å; P1217-Q1220 VanDerWaalsContact O-N 3.13Å; A1218-Q1220 VanDerWaalsContact C-N 3.25Å; A1218-Q1220 PolarHBondContact O-N 3.03Å |
| 1221 | Q | 71.5 | Confident | 78.1 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -89 | -9.8 | 178.7 | -61.4 | 171.4 | -6.5 | 0 | 0 | 112.3 | A1218 S1219 | A1218-Q1221 WeakPolarHBondContact O-CB 3.4Å; A1218-Q1221 PolarHBondContact O-N 2.94Å; A1218-Q1221 VanDerWaalsContact O-N 3.11Å; S1219-Q1221 PolarHBondContact O-N 3.29Å |
| 1222 | L | 74.6 | Confident | 77 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | trans | -110.7 | 97.1 | -175 | -70.1 | 174.2 | 0 | 0 | 0 | 111.3 | L1214 A1218 S1219 I1224 I1225 L1250 L1288 | L1214-L1222 HydrophobicContact CD2-CD1 3.81Å; A1218-L1222 PolarHBondContact O-N 3.41Å; S1219-L1222 PolarHBondContact O-N 2.7Å; S1219-L1222 VanDerWaalsContact O-N 3.15Å; L1222-I1224 HydrophobicContact CB-CG1 4.32Å; L1222-I1224 PolarHBondContact O-N 3.43Å; L1222-I1225 HydrophobicContact CB-CD1 3.85Å; L1222-I1225 HydrophobicContact CB-CG1 3.92Å; L1222-I1225 HydrophobicContact CD1-CD1 3.75Å; L1222-I1225 HydrophobicContact CG-CD1 4.47Å; L1222-I1225 PolarHBondContact O-N 2.78Å; L1222-L1250 HydrophobicContact CD1-CD2 4.05Å; L1222-L1288 HydrophobicContact CD1-CD2 3.91Å | ||
| 1223 | S | 71.2 | Confident | 75.7 | Confident | 104 Ų | 104 | 63.9 Ų | 63.9 | 73% | 0.727 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14.3 | -179.8 | 59 | 0 | 0 | 0 | 0 | 115.5 | I1225 R1232 | S1223-I1225 VanDerWaalsContact C-N 3.32Å; S1223-R1232 PolarHBondContact O-NE 2.87Å |
| 1224 | I | 72.8 | Confident | 74.1 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 16% | 0.159 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -1.8 | 174.9 | 63.3 | 178.9 | 0 | 0 | 0 | 114 | L1222 R1232 T1235 L1250 | L1222-I1224 HydrophobicContact CB-CG1 4.32Å; L1222-I1224 PolarHBondContact O-N 3.43Å; I1224-R1232 WeakPolarHBondContact O-CB 3.44Å; I1224-R1232 WeakPolarHBondContact O-CG 3.44Å; I1224-R1232 PolarHBondContact O-N 2.9Å; I1224-T1235 HydrophobicContact CG2-CG2 3.96Å; I1224-T1235 WeakPolarHBondContact CG2-OG1 3.41Å; I1224-L1250 HydrophobicContact CD1-CD1 3.69Å |
| 1225 | I | 71 | Confident | 72.5 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -111.2 | 141.7 | -177.5 | -53.2 | -170.6 | 0 | 0 | 0 | 110.1 | L1214 L1222 S1223 G1229 I1230 R1232 L1250 | L1214-I1225 HydrophobicContact CB-CD1 3.9Å; L1214-I1225 HydrophobicContact CD2-CD1 3.65Å; L1214-I1225 HydrophobicContact CG-CD1 4.41Å; L1222-I1225 HydrophobicContact CB-CD1 3.85Å; L1222-I1225 HydrophobicContact CB-CG1 3.92Å; L1222-I1225 HydrophobicContact CD1-CD1 3.75Å; L1222-I1225 HydrophobicContact CG-CD1 4.47Å; L1222-I1225 PolarHBondContact O-N 2.78Å; S1223-I1225 VanDerWaalsContact C-N 3.32Å; I1225-G1229 VanDerWaalsContact CG2-C 3.42Å; I1225-I1230 CarbonylContact C-O 3.59Å; I1225-I1230 WeakPolarHBondContact CA-O 3.43Å; I1225-R1232 VanDerWaalsContact O-CZ 3.23Å; I1225-R1232 PolarHBondContact O-NE 3.25Å; I1225-R1232 PolarHBondContact O-NH2 2.85Å; I1225-L1250 HydrophobicContact CD1-CD2 4.36Å |
| 1226 | D | 76.1 | Confident | 71 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | trans | -84.1 | 179.7 | 177.3 | 85 | -16.6 | 0 | 0 | 0 | 112.8 | N1228 G1229 I1230 R1232 | D1226-N1228 PolarHBondContact O-N 3.19Å; D1226-N1228 VanDerWaalsContact O-N 3.14Å; D1226-N1228 VanDerWaalsContact OD1-CA 3.31Å; D1226-N1228 WeakPolarHBondContact OD1-CA 3.23Å; D1226-N1228 WeakPolarHBondContact OD1-CB 3.42Å; D1226-N1228 PolarHBondContact OD1-N 3.21Å; D1226-N1228 PolarHBondContact OD2-ND2 3.46Å; D1226-G1229 PolarHBondContact O-N 2.92Å; D1226-G1229 PolarHBondContact OD1-N 2.9Å; D1226-I1230 PolarHBondContact N-O 2.63Å; D1226-I1230 PolarHBondContact OD1-N 2.68Å; D1226-R1232 HydrophobicContact CB-CG 4.29Å | ||
| 1227 | S | 71.8 | Confident | 69.5 | Low | 121 Ų | 121 | 76.6 Ų | 76.6 | 85% | 0.846 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -7.3 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1228 | N | 69.6 | Low | 68.1 | Low | 85 Ų | 85 | 77.2 Ų | 77.2 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -6.5 | -178.7 | -52.6 | -61.5 | 0 | 0 | 0 | 112.3 | R1213 D1226 I1230 | R1213-N1228 VanDerWaalsContact CZ-O 3.3Å; R1213-N1228 PolarHBondContact NE-O 2.92Å; R1213-N1228 PolarHBondContact NH2-O 3.14Å; D1226-N1228 PolarHBondContact O-N 3.19Å; D1226-N1228 VanDerWaalsContact O-N 3.14Å; D1226-N1228 VanDerWaalsContact OD1-CA 3.31Å; D1226-N1228 WeakPolarHBondContact OD1-CA 3.23Å; D1226-N1228 WeakPolarHBondContact OD1-CB 3.42Å; D1226-N1228 PolarHBondContact OD1-N 3.21Å; D1226-N1228 PolarHBondContact OD2-ND2 3.46Å; N1228-I1230 HydrophobicContact CB-CD1 4.13Å; N1228-I1230 HydrophobicContact CB-CG1 4.25Å |
| 1229 | G | 66.7 | Low | 67.2 | Low | 6 Ų | 6 | 78.2 Ų | 78.2 | 6% | 0.062 | 42% | 0.419 | C | S | . | . | S | Bend | trans | 90.8 | 13.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1213 L1214 I1225 D1226 | R1213-G1229 CarbonylContact C-O 3.57Å; R1213-G1229 WeakPolarHBondContact CA-O 3.36Å; L1214-G1229 PolarHBondContact N-O 3.29Å; L1214-G1229 VanDerWaalsContact O-CA 3.32Å; L1214-G1229 WeakPolarHBondContact O-CA 3.5Å; I1225-G1229 VanDerWaalsContact CG2-C 3.42Å; D1226-G1229 PolarHBondContact O-N 2.92Å; D1226-G1229 PolarHBondContact OD1-N 2.9Å |
| 1230 | I | 74.9 | Confident | 66.6 | Low | 82 Ų | 82 | 77.7 Ų | 77.7 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 143.8 | -173.8 | -56.1 | 173.7 | 0 | 0 | 0 | 110.5 | I1225 D1226 N1228 R1232 | I1225-I1230 CarbonylContact C-O 3.59Å; I1225-I1230 WeakPolarHBondContact CA-O 3.43Å; D1226-I1230 PolarHBondContact N-O 2.63Å; D1226-I1230 PolarHBondContact OD1-N 2.68Å; N1228-I1230 HydrophobicContact CB-CD1 4.13Å; N1228-I1230 HydrophobicContact CB-CG1 4.25Å; I1230-R1232 PolarHBondContact O-N 3.04Å |
| 1231 | V | 69.3 | Low | 65.9 | Low | 15 Ų | 15 | 76.6 Ų | 76.6 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 122.8 | 179.2 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | K1239 V1248 L1250 | V1231-K1239 HydrophobicContact CG1-CG 4.43Å; V1231-V1248 HydrophobicContact CB-CG1 4.46Å; V1231-V1248 HydrophobicContact CG1-CG1 4.36Å; V1231-L1250 HydrophobicContact CG2-CB 3.9Å |
| 1232 | R | 68.3 | Low | 65.2 | Low | 125 Ų | 125 | 74.5 Ų | 74.5 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 140.8 | -179.3 | -61.8 | 179.9 | -165.3 | -159.9 | 6.4 | 111.4 | S1223 I1224 I1225 D1226 I1230 S1234 | S1223-R1232 PolarHBondContact O-NE 2.87Å; I1224-R1232 WeakPolarHBondContact O-CB 3.44Å; I1224-R1232 WeakPolarHBondContact O-CG 3.44Å; I1224-R1232 PolarHBondContact O-N 2.9Å; I1225-R1232 VanDerWaalsContact O-CZ 3.23Å; I1225-R1232 PolarHBondContact O-NE 3.25Å; I1225-R1232 PolarHBondContact O-NH2 2.85Å; D1226-R1232 HydrophobicContact CB-CG 4.29Å; I1230-R1232 PolarHBondContact O-N 3.04Å; R1232-S1234 VanDerWaalsContact C-N 3.27Å; R1232-S1234 PolarHBondContact O-N 3.03Å |
| 1233 | E | 58.9 | Low | 63.9 | Low | 166 Ų | 166 | 78.6 Ų | 78.6 | 78% | 0.776 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.9 | -167.7 | -159.7 | 160.6 | -136.8 | 0 | 0 | 114.3 | T1235 K1239 | E1233-T1235 PolarHBondContact O-N 2.88Å; E1233-K1239 VanDerWaalsContact C-NZ 3.32Å; E1233-K1239 PolarHBondContact O-NZ 3.32Å |
| 1234 | S | 50.5 | Low | 62.4 | Low | 104 Ų | 104 | 84.7 Ų | 84.7 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -8.4 | -171.4 | 55.5 | 0 | 0 | 0 | 0 | 117.1 | R1232 | R1232-S1234 VanDerWaalsContact C-N 3.27Å; R1232-S1234 PolarHBondContact O-N 3.03Å |
| 1235 | T | 51.6 | Low | 61.1 | Low | 53 Ų | 53 | 86.5 Ų | 86.5 | 33% | 0.325 | 46% | 0.464 | S | S | . | . | trans | -111.1 | 102.8 | -174.9 | 32.2 | 0 | 0 | 0 | 0 | 113.6 | I1224 E1233 K1239 | I1224-T1235 HydrophobicContact CG2-CG2 3.96Å; I1224-T1235 WeakPolarHBondContact CG2-OG1 3.41Å; E1233-T1235 PolarHBondContact O-N 2.88Å; T1235-K1239 VanDerWaalsContact O-CD 3.29Å; T1235-K1239 WeakPolarHBondContact O-CD 3.15Å; T1235-K1239 WeakPolarHBondContact O-CE 3.2Å; T1235-K1239 WeakPolarHBondContact O-CG 3.36Å | ||
| 1236 | I | 51.4 | Low | 60.2 | Low | 148 Ų | 148 | 89.3 Ų | 89.3 | 76% | 0.759 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -75.3 | -28.3 | -169.1 | -62.5 | 172.9 | 0 | 0 | 0 | 114 | S1238 | I1236-S1238 PolarHBondContact O-N 3.46Š|
| 1237 | K | 57.4 | Low | 59.2 | Low | 157 Ų | 157 | 90 Ų | 90 | 68% | 0.683 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -76.3 | -10.6 | -162.2 | -71.6 | -171.8 | 178.3 | -179 | 0 | 117.2 | ||
| 1238 | S | 56.9 | Low | 59.1 | Low | 46 Ų | 46 | 85.6 Ų | 85.6 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -132.7 | 24.5 | -168.8 | -47.6 | 0 | 0 | 0 | 0 | 113.4 | I1236 E1251 | I1236-S1238 PolarHBondContact O-N 3.46Å; S1238-E1251 PolarHBondContact O-N 2.91Å |
| 1239 | K | 66.3 | Low | 59.7 | Low | 22 Ų | 22 | 81.5 Ų | 81.5 | 10% | 0.096 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.9 | -169.4 | -72.5 | -179.2 | 163.6 | -160.6 | 0 | 113.3 | V1231 E1233 T1235 F1241 V1248 G1249 | V1231-K1239 HydrophobicContact CG1-CG 4.43Å; E1233-K1239 VanDerWaalsContact C-NZ 3.32Å; E1233-K1239 PolarHBondContact O-NZ 3.32Å; T1235-K1239 VanDerWaalsContact O-CD 3.29Å; T1235-K1239 WeakPolarHBondContact O-CD 3.15Å; T1235-K1239 WeakPolarHBondContact O-CE 3.2Å; T1235-K1239 WeakPolarHBondContact O-CG 3.36Å; K1239-F1241 HydrophobicContact CB-CE2 4Å; K1239-F1241 HydrophobicContact CB-CZ 4.42Å; K1239-F1241 HydrophobicContact CD-CZ 4.3Å; K1239-V1248 HydrophobicContact CB-CG1 4.11Å; K1239-V1248 HydrophobicContact CD-CG1 3.51Å; K1239-V1248 HydrophobicContact CG-CG1 3.66Å; K1239-G1249 WeakPolarHBondContact CA-O 3.41Å |
| 1240 | C | 71.4 | Confident | 60.7 | Low | 16 Ų | 16 | 81.8 Ų | 81.8 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.4 | 160.6 | 42.1 | 0 | 0 | 0 | 0 | 109.9 | C1210 G1249 L1250 E1251 | C1210-C1240 WeakPolarHBondContact CA-SG 3.32Å; C1210-C1240 HydrophobicContact CB-CB 3.68Å; C1210-C1240 WeakPolarHBondContact CB-SG 3.16Å; C1210-C1240 WeakPolarHBondContact SG-CB 3.37Å; C1210-C1240 CovalentContact SG-SG 2.02Å; C1210-C1240 PolarHBondContact SG-SG 3.17Å; C1240-G1249 PolarHBondContact N-O 2.99Å; C1240-G1249 PolarHBondContact O-N 3.32Å; C1240-G1249 VanDerWaalsContact SG-CA 3.51Å; C1240-G1249 PolarHBondContact SG-O 3.39Å; C1240-L1250 VanDerWaalsContact SG-C 3.59Å; C1240-E1251 HydrophobicContact CB-CG 4.03Å |
| 1241 | F | 62.7 | Low | 61.4 | Low | 152 Ų | 152 | 80 Ų | 80 | 67% | 0.667 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.9 | 175.4 | -69.5 | -89.9 | 0 | 0 | 0 | 109.3 | K1239 V1248 | K1239-F1241 HydrophobicContact CB-CE2 4Å; K1239-F1241 HydrophobicContact CB-CZ 4.42Å; K1239-F1241 HydrophobicContact CD-CZ 4.3Å; F1241-V1248 HydrophobicContact CD1-CG2 4.25Å; F1241-V1248 HydrophobicContact CE1-CG2 3.99Å |
| 1242 | I | 56.9 | Low | 62.5 | Low | 45 Ų | 45 | 79.2 Ų | 79.2 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | trans | -98.5 | 122.1 | 179.7 | -60.4 | 152.6 | 0 | 0 | 0 | 108.1 | I1191 L1212 W1244 | I1191-I1242 HydrophobicContact CD1-CD1 3.5Å; I1191-I1242 VanDerWaalsContact CD1-CD1 3.5Å; I1191-I1242 HydrophobicContact CD1-CG1 3.89Å; L1212-I1242 HydrophobicContact CD2-CD1 3.43Å; L1212-I1242 VanDerWaalsContact CD2-CD1 3.43Å; L1212-I1242 HydrophobicContact CG-CD1 4.2Å; I1242-W1244 PolarHBondContact O-N 3.42Å; I1242-W1244 VanDerWaalsContact O-N 3.14Å | ||
| 1243 | S | 45.9 | Very low | 63.6 | Low | 116 Ų | 116 | 73.7 Ų | 73.7 | 81% | 0.811 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.5 | -174.3 | 43.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1244 | W | 41.1 | Very low | 65.2 | Low | 232 Ų | 232 | 65.8 Ų | 65.8 | 88% | 0.879 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | 95.4 | 177.1 | -64.9 | 84.3 | 0 | 0 | 0 | 109.8 | I1242 | I1242-W1244 PolarHBondContact O-N 3.42Å; I1242-W1244 VanDerWaalsContact O-N 3.14Å |
| 1245 | G | 43.8 | Very low | 67.1 | Low | 69 Ų | 69 | 61.4 Ų | 61.4 | 71% | 0.711 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.2 | -13.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S1247 | G1245-S1247 PolarHBondContact O-N 2.94Å; G1245-S1247 VanDerWaalsContact O-N 3.1Å |
| 1246 | G | 53.2 | Low | 68.8 | Low | 66 Ų | 66 | 59.4 Ų | 59.4 | 68% | 0.68 | 33% | 0.334 | S | S | * | . | trans | 71.6 | -1.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1247 | S | 55.6 | Low | 70.3 | Confident | 63 Ų | 63 | 53 Ų | 53 | 44% | 0.441 | 30% | 0.302 | S | S | . | . | trans | -65.4 | 141.1 | 177.3 | -47.8 | 0 | 0 | 0 | 0 | 112 | G1245 | G1245-S1247 PolarHBondContact O-N 2.94Å; G1245-S1247 VanDerWaalsContact O-N 3.1Å | ||
| 1248 | V | 68.7 | Low | 71.3 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.7 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | V1231 K1239 F1241 | V1231-V1248 HydrophobicContact CB-CG1 4.46Å; V1231-V1248 HydrophobicContact CG1-CG1 4.36Å; K1239-V1248 HydrophobicContact CB-CG1 4.11Å; K1239-V1248 HydrophobicContact CD-CG1 3.51Å; K1239-V1248 HydrophobicContact CG-CG1 3.66Å; F1241-V1248 HydrophobicContact CD1-CG2 4.25Å; F1241-V1248 HydrophobicContact CE1-CG2 3.99Å |
| 1249 | G | 81.9 | Confident | 71.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1211 K1239 C1240 | V1211-G1249 CarbonylContact O-C 3.58Å; V1211-G1249 WeakPolarHBondContact O-CA 3.44Å; K1239-G1249 WeakPolarHBondContact CA-O 3.41Å; C1240-G1249 PolarHBondContact N-O 2.99Å; C1240-G1249 PolarHBondContact O-N 3.32Å; C1240-G1249 VanDerWaalsContact SG-CA 3.51Å; C1240-G1249 PolarHBondContact SG-O 3.39Å |
| 1250 | L | 87.5 | Confident | 72 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.7 | 173.5 | 176.7 | 62.9 | 0 | 0 | 0 | 110.4 | C1210 V1211 L1222 I1224 I1225 V1231 C1240 V1252 L1288 | C1210-L1250 WeakPolarHBondContact CA-O 3.13Å; V1211-L1250 HydrophobicContact CB-CB 4.48Å; V1211-L1250 PolarHBondContact N-O 3.37Å; V1211-L1250 PolarHBondContact O-N 3.36Å; L1222-L1250 HydrophobicContact CD1-CD2 4.05Å; I1224-L1250 HydrophobicContact CD1-CD1 3.69Å; I1225-L1250 HydrophobicContact CD1-CD2 4.36Å; V1231-L1250 HydrophobicContact CG2-CB 3.9Å; C1240-L1250 VanDerWaalsContact SG-C 3.59Å; L1250-V1252 HydrophobicContact CD2-CG1 4.23Å; L1250-V1252 HydrophobicContact CG-CG1 4.1Å; L1250-V1252 PolarHBondContact O-N 3.45Å; L1250-L1288 HydrophobicContact CD2-CD1 4.21Å |
| 1251 | E | 89.4 | Confident | 71.8 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 127.6 | 171.2 | -59.4 | -155.4 | 137 | 0 | 0 | 111.3 | K1208 S1238 C1240 Y1305 | K1208-E1251 VanDerWaalsContact CE-CD 3.41Å; K1208-E1251 WeakPolarHBondContact CE-OE1 3.29Å; K1208-E1251 WeakPolarHBondContact CE-OE2 3.28Å; K1208-E1251 IonicContact NZ-OE1 2.64Å; K1208-E1251 PolarHBondContact NZ-OE1 2.9Å; K1208-E1251 IonicContact NZ-OE2 2.74Å; K1208-E1251 PolarHBondContact NZ-OE2 3.4Å; S1238-E1251 PolarHBondContact O-N 2.91Å; C1240-E1251 HydrophobicContact CB-CG 4.03Å; E1251-Y1305 HydrophobicContact CB-CD1 4.09Å; E1251-Y1305 HydrophobicContact CB-CG 4.3Å; E1251-Y1305 WeakPolarHBondContact O-CB 3.34Å; E1251-Y1305 WeakPolarHBondContact OE2-CD1 3.1Å |
| 1252 | V | 92.4 | Very high | 72.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 161.9 | -177.7 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | L1190 G1209 V1211 L1250 V1254 L1288 I1302 M1303 | L1190-V1252 HydrophobicContact CD1-CG2 4.23Å; G1209-V1252 VanDerWaalsContact C-CG2 3.4Å; G1209-V1252 PolarHBondContact N-O 2.95Å; G1209-V1252 PolarHBondContact O-N 3.48Å; V1211-V1252 HydrophobicContact CB-CG1 4.34Å; V1211-V1252 HydrophobicContact CG2-CG1 3.82Å; V1211-V1252 HydrophobicContact CG2-CG2 3.95Å; L1250-V1252 HydrophobicContact CD2-CG1 4.23Å; L1250-V1252 HydrophobicContact CG-CG1 4.1Å; L1250-V1252 PolarHBondContact O-N 3.45Å; V1252-V1254 HydrophobicContact CG2-CG2 3.93Å; V1252-L1288 HydrophobicContact CG1-CD1 3.63Å; V1252-I1302 HydrophobicContact CB-CG2 3.7Å; V1252-I1302 HydrophobicContact CG1-CG2 3.82Å; V1252-I1302 HydrophobicContact CG2-CG2 3.84Å; V1252-M1303 WeakPolarHBondContact CA-O 3.38Å; V1252-M1303 WeakPolarHBondContact CB-O 3.42Å |
| 1253 | A | 92.5 | Very high | 73 | Confident | 9 Ų | 9 | 55 Ų | 55 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1198 V1206 M1303 | L1198-A1253 HydrophobicContact CD1-CB 4.18Å; V1206-A1253 HydrophobicContact CG1-CB 4.19Å; A1253-M1303 HydrophobicContact CB-CB 4.49Å; A1253-M1303 HydrophobicContact CB-CE 4.25Å; A1253-M1303 PolarHBondContact N-O 3.31Å; A1253-M1303 PolarHBondContact O-N 3.33Å |
| 1254 | V | 92.1 | Very high | 74.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 107.2 | -175.8 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | L1190 I1192 V1206 Y1207 V1252 T1256 V1300 I1301 | L1190-V1254 HydrophobicContact CD1-CG2 4.13Å; I1192-V1254 HydrophobicContact CD1-CG1 3.99Å; I1192-V1254 HydrophobicContact CG1-CG1 4.3Å; I1192-V1254 HydrophobicContact CG1-CG2 4.48Å; V1206-V1254 WeakPolarHBondContact CA-O 3.25Å; Y1207-V1254 PolarHBondContact N-O 3.26Å; Y1207-V1254 PolarHBondContact O-N 3.45Å; V1252-V1254 HydrophobicContact CG2-CG2 3.93Å; V1254-T1256 HydrophobicContact CG1-CG2 4.2Å; V1254-V1300 HydrophobicContact CG1-CB 3.89Å; V1254-V1300 HydrophobicContact CG1-CG2 4Å; V1254-I1301 CarbonylContact C-O 3.56Å; V1254-I1301 WeakPolarHBondContact CA-O 3.45Å |
| 1255 | K | 90.2 | Very high | 75.7 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 131.4 | 173.6 | -161.7 | -179.2 | -160.3 | -179.6 | 0 | 108.1 | V1206 F1269 E1272 V1300 I1301 M1303 D1375 | V1206-K1255 HydrophobicContact CG2-CB 4.39Å; V1206-K1255 HydrophobicContact CG2-CG 4.11Å; K1255-F1269 HydrophobicContact CB-CZ 4.21Å; K1255-F1269 HydrophobicContact CD-CE2 3.98Å; K1255-F1269 HydrophobicContact CD-CZ 4.42Å; K1255-F1269 HydrophobicContact CG-CE2 3.89Å; K1255-F1269 HydrophobicContact CG-CZ 4.08Å; K1255-E1272 IonicContact NZ-OE1 3.2Å; K1255-E1272 PolarHBondContact NZ-OE1 3.38Å; K1255-E1272 IonicContact NZ-OE2 2.76Å; K1255-E1272 PolarHBondContact NZ-OE2 3.38Å; K1255-V1300 CarbonylContact O-C 3.57Å; K1255-V1300 VanDerWaalsContact O-CA 3.3Å; K1255-V1300 WeakPolarHBondContact O-CA 3.45Å; K1255-V1300 WeakPolarHBondContact O-CB 2.92Å; K1255-I1301 HydrophobicContact CB-CB 4.22Å; K1255-I1301 PolarHBondContact N-O 2.9Å; K1255-I1301 PolarHBondContact O-N 3.15Å; K1255-M1303 HydrophobicContact CB-CE 4.02Å; K1255-D1375 IonicContact NZ-OD1 2.67Å; K1255-D1375 PolarHBondContact NZ-OD1 2.95Å |
| 1256 | T | 88.6 | Confident | 77.3 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.3 | 179.8 | 78.2 | 0 | 0 | 0 | 0 | 110.1 | G1204 M1205 Y1207 V1254 V1300 | G1204-T1256 CarbonylContact C-O 3.54Å; G1204-T1256 WeakPolarHBondContact CA-O 3.46Å; M1205-T1256 PolarHBondContact N-O 3.44Å; M1205-T1256 PolarHBondContact O-N 3.41Å; M1205-T1256 PolarHBondContact O-OG1 3.29Å; Y1207-T1256 HydrophobicContact CD2-CG2 3.84Å; Y1207-T1256 HydrophobicContact CE2-CG2 4.12Å; V1254-T1256 HydrophobicContact CG1-CG2 4.2Å; T1256-V1300 HydrophobicContact CG2-CB 4.33Å; T1256-V1300 HydrophobicContact CG2-CG1 3.69Å |
| 1257 | L | 81 | Confident | 78.4 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 165 | 169.5 | -73.4 | 160.3 | 0 | 0 | 0 | 112.6 | F1203 D1265 I1266 F1269 P1299 | F1203-L1257 HydrophobicContact CB-CD2 4.05Å; F1203-L1257 CarbonylContact O-C 3.47Å; F1203-L1257 WeakPolarHBondContact O-CA 3.32Å; L1257-D1265 HydrophobicContact CD2-CB 4.38Å; L1257-I1266 HydrophobicContact CD1-CG1 3.69Å; L1257-F1269 HydrophobicContact CD1-CD1 4.28Å; L1257-F1269 HydrophobicContact CD1-CG 4.35Å; L1257-F1269 HydrophobicContact CD2-CB 4.08Å; L1257-F1269 HydrophobicContact CD2-CD2 3.79Å; L1257-F1269 HydrophobicContact CD2-CE2 4.32Å; L1257-F1269 HydrophobicContact CD2-CG 3.95Å; L1257-F1269 HydrophobicContact CG-CD1 4.21Å; L1257-F1269 HydrophobicContact CG-CD2 4.05Å; L1257-F1269 HydrophobicContact CG-CE1 4.37Å; L1257-F1269 HydrophobicContact CG-CE2 4.22Å; L1257-F1269 HydrophobicContact CG-CG 4.04Å; L1257-F1269 HydrophobicContact CG-CZ 4.38Å; L1257-P1299 HydrophobicContact CD1-CG 3.97Å |
| 1258 | F | 79.7 | Confident | 79.3 | Confident | 56 Ų | 56 | 46.2 Ų | 46.2 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | trans | -76.4 | 152.9 | 166.9 | -67.9 | -61.9 | 0 | 0 | 0 | 110.8 | R1200 F1203 G1204 M1205 A1260 S1261 | R1200-F1258 HydrophobicContact CG-CZ 4.13Å; F1203-F1258 VanDerWaalsContact O-CD2 3.27Å; F1203-F1258 WeakPolarHBondContact O-CD2 3.44Å; F1203-F1258 PolarHBondContact O-N 3.44Å; G1204-F1258 VanDerWaalsContact CA-CE2 3.44Å; G1204-F1258 VanDerWaalsContact N-CE2 3.27Å; M1205-F1258 HydrophobicContact CG-CE1 4.27Å; M1205-F1258 HydrophobicContact SD-CE1 4.41Å; F1258-A1260 PolarHBondContact O-N 3.15Å; F1258-S1261 PolarHBondContact N-OG 3.14Å; F1258-S1261 PolarHBondContact O-N 3.44Å; F1258-S1261 PolarHBondContact O-OG 2.87Å | ||
| 1259 | P | 68.7 | Low | 80 | Confident | 136 Ų | 136 | 44.9 Ų | 44.9 | 88% | 0.883 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 1.7 | 178.9 | -22.7 | 34.6 | 0 | 0 | 0 | 116.5 | ||
| 1260 | A | 68.1 | Low | 80 | Confident | 95 Ų | 95 | 45.4 Ų | 45.4 | 79% | 0.785 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 21.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | F1258 | F1258-A1260 PolarHBondContact O-N 3.15Š|
| 1261 | S | 67.7 | Low | 79.6 | Confident | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | trans | -65 | 144.7 | 174.8 | -74 | 0 | 0 | 0 | 0 | 111.7 | F1258 | F1258-S1261 PolarHBondContact N-OG 3.14Å; F1258-S1261 PolarHBondContact O-N 3.44Å; F1258-S1261 PolarHBondContact O-OG 2.87Å | ||
| 1262 | T | 75.8 | Confident | 79.2 | Confident | 75 Ų | 75 | 47.2 Ų | 47.2 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | trans | -82.9 | 170.8 | 179.1 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | D1264 D1265 I1266 | T1262-D1264 PolarHBondContact O-N 3.24Å; T1262-D1264 PolarHBondContact OG1-N 3.03Å; T1262-D1265 WeakPolarHBondContact CB-OD2 3.3Å; T1262-D1265 PolarHBondContact N-OD2 2.75Å; T1262-D1265 WeakPolarHBondContact O-CB 3.4Å; T1262-D1265 PolarHBondContact O-N 2.98Å; T1262-D1265 PolarHBondContact OG1-N 3.25Å; T1262-D1265 VanDerWaalsContact OG1-N 3.11Å; T1262-D1265 PolarHBondContact OG1-OD2 3.43Å; T1262-I1266 WeakPolarHBondContact O-CG1 3.07Å; T1262-I1266 PolarHBondContact O-N 2.75Å | ||
| 1263 | M | 69.6 | Low | 78.8 | Confident | 98 Ų | 98 | 47.2 Ų | 47.2 | 48% | 0.483 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -29 | 171.1 | -73.9 | -57 | -56.2 | 0 | 0 | 113 | I1266 R1267 | M1263-I1266 PolarHBondContact O-N 2.78Å; M1263-I1266 HydrophobicContact SD-CD1 4.03Å; M1263-R1267 WeakPolarHBondContact O-CG 3.42Å; M1263-R1267 PolarHBondContact O-N 3.2Å |
| 1264 | D | 70.3 | Confident | 78.2 | Confident | 99 Ų | 99 | 47.8 Ų | 47.8 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -80.7 | -33.2 | 178.3 | -62.6 | -43 | 0 | 0 | 0 | 111.7 | T1262 I1266 R1267 E1268 | T1262-D1264 PolarHBondContact O-N 3.24Å; T1262-D1264 PolarHBondContact OG1-N 3.03Å; D1264-I1266 VanDerWaalsContact C-N 3.29Å; D1264-I1266 PolarHBondContact O-N 3.03Å; D1264-R1267 PolarHBondContact O-N 2.91Å; D1264-R1267 IonicContact OD1-CZ 2.89Å; D1264-R1267 IonicContact OD1-NH1 2.62Å; D1264-R1267 PolarHBondContact OD1-NH1 2.89Å; D1264-E1268 PolarHBondContact O-N 3.27Å |
| 1265 | D | 73.2 | Confident | 77.6 | Confident | 48 Ų | 48 | 50 Ų | 50 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 165.5 | -65.2 | -73.2 | 0 | 0 | 0 | 111 | L1257 T1262 R1267 E1268 F1269 | L1257-D1265 HydrophobicContact CD2-CB 4.38Å; T1262-D1265 WeakPolarHBondContact CB-OD2 3.3Å; T1262-D1265 PolarHBondContact N-OD2 2.75Å; T1262-D1265 WeakPolarHBondContact O-CB 3.4Å; T1262-D1265 PolarHBondContact O-N 2.98Å; T1262-D1265 PolarHBondContact OG1-N 3.25Å; T1262-D1265 VanDerWaalsContact OG1-N 3.11Å; T1262-D1265 PolarHBondContact OG1-OD2 3.43Å; D1265-R1267 VanDerWaalsContact C-N 3.34Å; D1265-R1267 PolarHBondContact O-N 3.2Å; D1265-E1268 PolarHBondContact O-N 3.14Å; D1265-F1269 VanDerWaalsContact O-CB 3.3Å; D1265-F1269 WeakPolarHBondContact O-CB 3.41Å; D1265-F1269 PolarHBondContact O-N 3.37Å |
| 1266 | I | 77.8 | Confident | 77.3 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.7 | -70.7 | 162.6 | 0 | 0 | 0 | 110.9 | L1257 T1262 M1263 D1264 F1269 Y1270 | L1257-I1266 HydrophobicContact CD1-CG1 3.69Å; T1262-I1266 WeakPolarHBondContact O-CG1 3.07Å; T1262-I1266 PolarHBondContact O-N 2.75Å; M1263-I1266 PolarHBondContact O-N 2.78Å; M1263-I1266 HydrophobicContact SD-CD1 4.03Å; D1264-I1266 VanDerWaalsContact C-N 3.29Å; D1264-I1266 PolarHBondContact O-N 3.03Å; I1266-F1269 WeakPolarHBondContact O-CB 3.11Å; I1266-F1269 PolarHBondContact O-N 3.45Å; I1266-Y1270 HydrophobicContact CG2-CD2 3.79Å; I1266-Y1270 HydrophobicContact CG2-CE2 3.62Å; I1266-Y1270 VanDerWaalsContact O-CD2 3.29Å; I1266-Y1270 WeakPolarHBondContact O-CD2 3.49Å; I1266-Y1270 PolarHBondContact O-N 3.38Å |
| 1267 | R | 76.2 | Confident | 77.2 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 174.6 | -73.7 | 170.2 | -177.5 | 132.4 | 6.4 | 112.6 | E1173 M1263 D1264 D1265 F1269 Y1270 N1271 | E1173-R1267 IonicContact OE1-CZ 3.18Å; E1173-R1267 IonicContact OE1-NE 3.22Å; E1173-R1267 PolarHBondContact OE1-NE 3.49Å; E1173-R1267 IonicContact OE1-NH2 2.82Å; E1173-R1267 PolarHBondContact OE1-NH2 2.95Å; M1263-R1267 WeakPolarHBondContact O-CG 3.42Å; M1263-R1267 PolarHBondContact O-N 3.2Å; D1264-R1267 PolarHBondContact O-N 2.91Å; D1264-R1267 IonicContact OD1-CZ 2.89Å; D1264-R1267 IonicContact OD1-NH1 2.62Å; D1264-R1267 PolarHBondContact OD1-NH1 2.89Å; D1265-R1267 VanDerWaalsContact C-N 3.34Å; D1265-R1267 PolarHBondContact O-N 3.2Å; R1267-F1269 PolarHBondContact O-N 3.28Å; R1267-Y1270 PolarHBondContact O-N 2.71Å; R1267-N1271 WeakPolarHBondContact O-CB 3.22Å; R1267-N1271 VanDerWaalsContact O-CG 3.27Å; R1267-N1271 PolarHBondContact O-N 3.26Å; R1267-N1271 PolarHBondContact O-ND2 3.37Å |
| 1268 | E | 74.9 | Confident | 77.2 | Confident | 95 Ų | 95 | 56.9 Ų | 56.9 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -35.7 | 175.8 | -68.9 | -147.1 | 138.6 | 0 | 0 | 111.5 | F1203 D1264 D1265 N1271 E1272 | F1203-E1268 HydrophobicContact CE1-CB 3.74Å; F1203-E1268 WeakPolarHBondContact CE1-OE2 3.26Å; F1203-E1268 HydrophobicContact CZ-CB 3.73Å; F1203-E1268 WeakPolarHBondContact CZ-OE2 3.43Å; D1264-E1268 PolarHBondContact O-N 3.27Å; D1265-E1268 PolarHBondContact O-N 3.14Å; E1268-N1271 PolarHBondContact O-N 2.84Å; E1268-E1272 PolarHBondContact O-N 2.82Å |
| 1269 | F | 81.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 175.5 | -156.9 | -101.6 | 0 | 0 | 0 | 113.1 | F1203 K1255 L1257 D1265 I1266 R1267 N1271 E1272 A1273 P1299 I1301 | F1203-F1269 HydrophobicContact CB-CD2 3.92Å; F1203-F1269 HydrophobicContact CB-CE2 4.33Å; F1203-F1269 HydrophobicContact CD2-CD2 4.27Å; F1203-F1269 HydrophobicContact CG-CD2 4.28Å; K1255-F1269 HydrophobicContact CB-CZ 4.21Å; K1255-F1269 HydrophobicContact CD-CE2 3.98Å; K1255-F1269 HydrophobicContact CD-CZ 4.42Å; K1255-F1269 HydrophobicContact CG-CE2 3.89Å; K1255-F1269 HydrophobicContact CG-CZ 4.08Å; L1257-F1269 HydrophobicContact CD1-CD1 4.28Å; L1257-F1269 HydrophobicContact CD1-CG 4.35Å; L1257-F1269 HydrophobicContact CD2-CB 4.08Å; L1257-F1269 HydrophobicContact CD2-CD2 3.79Å; L1257-F1269 HydrophobicContact CD2-CE2 4.32Å; L1257-F1269 HydrophobicContact CD2-CG 3.95Å; L1257-F1269 HydrophobicContact CG-CD1 4.21Å; L1257-F1269 HydrophobicContact CG-CD2 4.05Å; L1257-F1269 HydrophobicContact CG-CE1 4.37Å; L1257-F1269 HydrophobicContact CG-CE2 4.22Å; L1257-F1269 HydrophobicContact CG-CG 4.04Å; L1257-F1269 HydrophobicContact CG-CZ 4.38Å; D1265-F1269 VanDerWaalsContact O-CB 3.3Å; D1265-F1269 WeakPolarHBondContact O-CB 3.41Å; D1265-F1269 PolarHBondContact O-N 3.37Å; I1266-F1269 WeakPolarHBondContact O-CB 3.11Å; I1266-F1269 PolarHBondContact O-N 3.45Å; R1267-F1269 PolarHBondContact O-N 3.28Å; F1269-N1271 VanDerWaalsContact C-N 3.35Å; F1269-E1272 PolarHBondContact O-N 2.92Å; F1269-A1273 PolarHBondContact O-N 3.32Å; F1269-P1299 HydrophobicContact CD1-CB 4.27Å; F1269-P1299 HydrophobicContact CD1-CG 3.87Å; F1269-P1299 HydrophobicContact CE1-CB 4.39Å; F1269-P1299 HydrophobicContact CE1-CG 4.33Å; F1269-P1299 WeakPolarHBondContact CE1-O 3.07Å; F1269-I1301 HydrophobicContact CD1-CD1 3.79Å; F1269-I1301 HydrophobicContact CD1-CG1 4.15Å; F1269-I1301 HydrophobicContact CD2-CD1 4.38Å; F1269-I1301 HydrophobicContact CE1-CB 4.37Å; F1269-I1301 HydrophobicContact CE1-CD1 3.58Å; F1269-I1301 HydrophobicContact CE1-CG1 3.62Å; F1269-I1301 HydrophobicContact CE2-CD1 4.2Å; F1269-I1301 HydrophobicContact CG-CD1 4.2Å; F1269-I1301 HydrophobicContact CZ-CB 4.41Å; F1269-I1301 HydrophobicContact CZ-CD1 3.79Å; F1269-I1301 HydrophobicContact CZ-CG1 4.04Å |
| 1270 | Y | 82.9 | Confident | 78.4 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | 172.8 | -80.5 | -57.2 | 0 | 0 | 0 | 112.4 | L1174 I1179 I1266 R1267 A1273 S1274 I1290 P1299 | L1174-Y1270 HydrophobicContact CB-CE1 4.4Å; L1174-Y1270 HydrophobicContact CD1-CE1 4.03Å; L1174-Y1270 HydrophobicContact CG-CE1 3.8Å; I1179-Y1270 HydrophobicContact CD1-CD1 4.46Å; I1266-Y1270 HydrophobicContact CG2-CD2 3.79Å; I1266-Y1270 HydrophobicContact CG2-CE2 3.62Å; I1266-Y1270 VanDerWaalsContact O-CD2 3.29Å; I1266-Y1270 WeakPolarHBondContact O-CD2 3.49Å; I1266-Y1270 PolarHBondContact O-N 3.38Å; R1267-Y1270 PolarHBondContact O-N 2.71Å; Y1270-A1273 PolarHBondContact O-N 2.92Å; Y1270-S1274 WeakPolarHBondContact O-CB 3.17Å; Y1270-S1274 PolarHBondContact O-N 3.34Å; Y1270-I1290 HydrophobicContact CD1-CD1 4.01Å; Y1270-I1290 HydrophobicContact CE1-CD1 4.09Å; Y1270-P1299 HydrophobicContact CD1-CB 4.5Å; Y1270-P1299 HydrophobicContact CE1-CB 3.74Å; Y1270-P1299 HydrophobicContact CE1-CG 3.99Å; Y1270-P1299 HydrophobicContact CE2-CG 4.03Å |
| 1271 | N | 78.1 | Confident | 79.4 | Confident | 87 Ų | 87 | 50 Ų | 50 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 174.6 | -74.9 | -40.4 | 0 | 0 | 0 | 112 | R1267 E1268 F1269 A1273 S1274 F1275 | R1267-N1271 WeakPolarHBondContact O-CB 3.22Å; R1267-N1271 VanDerWaalsContact O-CG 3.27Å; R1267-N1271 PolarHBondContact O-N 3.26Å; R1267-N1271 PolarHBondContact O-ND2 3.37Å; E1268-N1271 PolarHBondContact O-N 2.84Å; F1269-N1271 VanDerWaalsContact C-N 3.35Å; N1271-A1273 PolarHBondContact O-N 2.75Å; N1271-S1274 PolarHBondContact O-N 3.3Å; N1271-F1275 PolarHBondContact O-N 2.72Å |
| 1272 | E | 81 | Confident | 80.5 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -47.1 | 174.1 | -170.5 | -171.8 | 156.9 | 0 | 0 | 111.2 | K1255 E1268 F1269 S1274 F1275 M1276 | K1255-E1272 IonicContact NZ-OE1 3.2Å; K1255-E1272 PolarHBondContact NZ-OE1 3.38Å; K1255-E1272 IonicContact NZ-OE2 2.76Å; K1255-E1272 PolarHBondContact NZ-OE2 3.38Å; E1268-E1272 PolarHBondContact O-N 2.82Å; F1269-E1272 PolarHBondContact O-N 2.92Å; E1272-S1274 VanDerWaalsContact C-N 3.34Å; E1272-S1274 PolarHBondContact O-N 3.07Å; E1272-F1275 PolarHBondContact O-N 3.02Å; E1272-M1276 HydrophobicContact CG-SD 4.5Å; E1272-M1276 WeakPolarHBondContact O-CG 3.34Å; E1272-M1276 PolarHBondContact O-N 3.4Å |
| 1273 | A | 84.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1179 F1269 Y1270 N1271 M1276 K1277 F1287 I1290 I1301 | I1179-A1273 HydrophobicContact CD1-CB 3.7Å; F1269-A1273 PolarHBondContact O-N 3.32Å; Y1270-A1273 PolarHBondContact O-N 2.92Å; N1271-A1273 PolarHBondContact O-N 2.75Å; A1273-M1276 PolarHBondContact O-N 2.99Å; A1273-K1277 WeakPolarHBondContact O-CB 3.5Å; A1273-K1277 PolarHBondContact O-N 2.99Å; A1273-F1287 HydrophobicContact CB-CE2 3.89Å; A1273-F1287 HydrophobicContact CB-CZ 4.23Å; A1273-I1290 HydrophobicContact CB-CD1 3.74Å; A1273-I1290 HydrophobicContact CB-CG1 4.38Å; A1273-I1301 HydrophobicContact CB-CD1 3.82Å; A1273-I1301 HydrophobicContact CB-CG1 3.93Å |
| 1274 | S | 81.4 | Confident | 82.5 | Confident | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 177.2 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | A1177 Y1270 N1271 E1272 Q1278 | A1177-S1274 WeakPolarHBondContact O-CB 3.43Å; A1177-S1274 PolarHBondContact O-OG 3.49Å; Y1270-S1274 WeakPolarHBondContact O-CB 3.17Å; Y1270-S1274 PolarHBondContact O-N 3.34Å; N1271-S1274 PolarHBondContact O-N 3.3Å; E1272-S1274 VanDerWaalsContact C-N 3.34Å; E1272-S1274 PolarHBondContact O-N 3.07Å; S1274-Q1278 PolarHBondContact O-NE2 2.78Å |
| 1275 | F | 78.3 | Confident | 83.6 | Confident | 48 Ų | 48 | 44.4 Ų | 44.4 | 21% | 0.211 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -51.5 | 170.4 | -97.1 | -83.6 | 0 | 0 | 0 | 111.4 | N1271 E1272 K1277 Q1278 L1381 | N1271-F1275 PolarHBondContact O-N 2.72Å; E1272-F1275 PolarHBondContact O-N 3.02Å; F1275-K1277 VanDerWaalsContact C-N 3.31Å; F1275-K1277 PolarHBondContact O-N 3.02Å; F1275-Q1278 PolarHBondContact O-N 2.81Å; F1275-Q1278 VanDerWaalsContact O-N 3.14Å; F1275-L1381 HydrophobicContact CE1-CB 4Å; F1275-L1381 HydrophobicContact CZ-CB 4.12Å |
| 1276 | M | 85 | Confident | 84.4 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -33 | -177.1 | -67.2 | -173.4 | 66.4 | 0 | 0 | 113.3 | E1272 A1273 Q1278 L1279 V1285 F1287 M1303 F1376 | E1272-M1276 HydrophobicContact CG-SD 4.5Å; E1272-M1276 WeakPolarHBondContact O-CG 3.34Å; E1272-M1276 PolarHBondContact O-N 3.4Å; A1273-M1276 PolarHBondContact O-N 2.99Å; M1276-Q1278 PolarHBondContact O-N 2.99Å; M1276-Q1278 VanDerWaalsContact O-N 3.14Å; M1276-L1279 PolarHBondContact O-N 3.2Å; M1276-V1285 HydrophobicContact CE-CG1 4.41Å; M1276-V1285 WeakPolarHBondContact CE-O 3.49Å; M1276-F1287 HydrophobicContact CB-CB 3.91Å; M1276-F1287 HydrophobicContact CB-CD2 4.24Å; M1276-F1287 HydrophobicContact CB-CG 4.28Å; M1276-M1303 HydrophobicContact CE-CG 4.08Å; M1276-M1303 HydrophobicContact CE-SD 3.89Å; M1276-M1303 HydrophobicContact SD-SD 4.34Å; M1276-F1376 HydrophobicContact CE-CD2 4.49Å; M1276-F1376 HydrophobicContact CG-CB 4.23Å; M1276-F1376 HydrophobicContact CG-CD2 3.85Å; M1276-F1376 HydrophobicContact CG-CG 4.31Å; M1276-F1376 HydrophobicContact SD-CD2 4.29Å |
| 1277 | K | 85.6 | Confident | 85 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 21% | 0.213 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.7 | 174.1 | 169.8 | 177.9 | 165.3 | 175.5 | 0 | 113.4 | G1178 S1180 W1183 A1273 F1275 F1287 | G1178-K1277 PolarHBondContact O-NZ 3.23Å; S1180-K1277 PolarHBondContact OG-NZ 2.78Å; W1183-K1277 HydrophobicContact CD2-CD 4.33Å; W1183-K1277 HydrophobicContact CD2-CG 4.38Å; W1183-K1277 HydrophobicContact CG-CD 4.37Å; W1183-K1277 HydrophobicContact CH2-CG 4.43Å; W1183-K1277 HydrophobicContact CZ2-CG 4.04Å; A1273-K1277 WeakPolarHBondContact O-CB 3.5Å; A1273-K1277 PolarHBondContact O-N 2.99Å; F1275-K1277 VanDerWaalsContact C-N 3.31Å; F1275-K1277 PolarHBondContact O-N 3.02Å; K1277-F1287 HydrophobicContact CB-CD1 4.02Å; K1277-F1287 HydrophobicContact CB-CE1 4.02Å |
| 1278 | Q | 82.3 | Confident | 85.8 | Confident | 126 Ų | 126 | 38.2 Ų | 38.2 | 59% | 0.589 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -8 | -175.4 | -63.9 | 172.2 | 56.6 | 0 | 0 | 113.4 | S1274 F1275 M1276 | S1274-Q1278 PolarHBondContact O-NE2 2.78Å; F1275-Q1278 PolarHBondContact O-N 2.81Å; F1275-Q1278 VanDerWaalsContact O-N 3.14Å; M1276-Q1278 PolarHBondContact O-N 2.99Å; M1276-Q1278 VanDerWaalsContact O-N 3.14Å |
| 1279 | L | 87.2 | Confident | 86.6 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | trans | -97.8 | 123.5 | -172.4 | -58.3 | 177 | 0 | 0 | 0 | 111.8 | M1276 I1284 Y1347 L1348 L1351 I1353 F1376 | M1276-L1279 PolarHBondContact O-N 3.2Å; L1279-I1284 HydrophobicContact CB-CD1 4.5Å; L1279-I1284 HydrophobicContact CB-CG2 4.19Å; L1279-I1284 HydrophobicContact CD1-CD1 4.43Å; L1279-I1284 HydrophobicContact CD1-CG2 4.07Å; L1279-Y1347 HydrophobicContact CD2-CE1 4.2Å; L1279-L1348 HydrophobicContact CD1-CD2 4.21Å; L1279-L1348 HydrophobicContact CD2-CD2 3.76Å; L1279-L1351 HydrophobicContact CD2-CD1 3.95Å; L1279-I1353 HydrophobicContact CD2-CD1 3.73Å; L1279-F1376 HydrophobicContact CD1-CD1 3.95Å; L1279-F1376 HydrophobicContact CD1-CD2 4.34Å; L1279-F1376 HydrophobicContact CD1-CE1 3.64Å; L1279-F1376 HydrophobicContact CD1-CE2 4.05Å; L1279-F1376 HydrophobicContact CD1-CG 4.31Å; L1279-F1376 HydrophobicContact CD1-CZ 3.7Å | ||
| 1280 | N | 85.4 | Confident | 87.1 | Confident | 103 Ų | 103 | 33.7 Ų | 33.7 | 55% | 0.551 | 17% | 0.167 | S | C | * | . | trans | -131.5 | 83 | 177 | -176.2 | 13.3 | 0 | 0 | 0 | 110.6 | Y1347 | N1280-Y1347 PolarHBondContact N-OH 3.23Å; N1280-Y1347 PolarHBondContact O-OH 2.88Å | ||
| 1281 | C | 89.7 | Confident | 87.4 | Confident | 25 Ų | 25 | 33.1 Ų | 33.1 | 17% | 0.169 | 17% | 0.165 | C | C | . | . | trans | -141.5 | 139 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | Y1283 I1284 Y1347 | C1281-Y1283 PolarHBondContact O-N 3.5Å; C1281-I1284 HydrophobicContact CB-CB 4.3Å; C1281-I1284 HydrophobicContact CB-CD1 3.93Å; C1281-I1284 HydrophobicContact CB-CG1 4.09Å; C1281-I1284 PolarHBondContact O-N 3.49Å; C1281-I1284 VanDerWaalsContact O-N 3.11Å; C1281-Y1347 HydrophobicContact CB-CD1 3.54Å; C1281-Y1347 HydrophobicContact CB-CD2 4.23Å; C1281-Y1347 HydrophobicContact CB-CE1 3.76Å; C1281-Y1347 HydrophobicContact CB-CE2 4.43Å; C1281-Y1347 HydrophobicContact CB-CG 3.77Å | ||
| 1282 | M | 89.8 | Confident | 87.6 | Confident | 120 Ų | 120 | 31.5 Ų | 31.5 | 59% | 0.591 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.9 | 179.9 | -176.1 | 174.4 | 174.8 | 0 | 0 | 113.8 | K1372 | M1282-K1372 WeakPolarHBondContact O-CE 3.28Å; M1282-K1372 PolarHBondContact O-NZ 2.88Å |
| 1283 | Y | 95.1 | Very high | 87.1 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 18.3 | -176.9 | -50.5 | -61.2 | 0 | 0 | 0 | 113.6 | C1281 Q1340 T1343 T1370 K1372 I1373 | C1281-Y1283 PolarHBondContact O-N 3.5Å; Y1283-Q1340 VanDerWaalsContact CB-O 3.25Å; Y1283-Q1340 WeakPolarHBondContact CB-O 3.04Å; Y1283-Q1340 HydrophobicContact CD1-CB 3.7Å; Y1283-Q1340 HydrophobicContact CD1-CG 3.77Å; Y1283-Q1340 HydrophobicContact CE1-CB 4.01Å; Y1283-Q1340 HydrophobicContact CE1-CG 3.53Å; Y1283-Q1340 HydrophobicContact CG-CB 4.15Å; Y1283-T1343 HydrophobicContact CD2-CG2 3.65Å; Y1283-T1343 HydrophobicContact CE2-CG2 3.77Å; Y1283-T1370 HydrophobicContact CD1-CG2 4.03Å; Y1283-T1370 HydrophobicContact CE1-CG2 3.88Å; Y1283-K1372 CarbonylContact O-C 3.58Å; Y1283-K1372 VanDerWaalsContact O-CA 3.32Å; Y1283-K1372 WeakPolarHBondContact O-CA 3.32Å; Y1283-I1373 PolarHBondContact O-N 2.83Å |
| 1284 | I | 93.2 | Very high | 86 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -117.5 | 143.7 | 169.4 | -67.2 | 176.9 | 0 | 0 | 0 | 108.2 | L1279 C1281 Q1286 Y1347 L1348 I1373 F1376 | L1279-I1284 HydrophobicContact CB-CD1 4.5Å; L1279-I1284 HydrophobicContact CB-CG2 4.19Å; L1279-I1284 HydrophobicContact CD1-CD1 4.43Å; L1279-I1284 HydrophobicContact CD1-CG2 4.07Å; C1281-I1284 HydrophobicContact CB-CB 4.3Å; C1281-I1284 HydrophobicContact CB-CD1 3.93Å; C1281-I1284 HydrophobicContact CB-CG1 4.09Å; C1281-I1284 PolarHBondContact O-N 3.49Å; C1281-I1284 VanDerWaalsContact O-N 3.11Å; I1284-Q1286 PolarHBondContact O-N 2.98Å; I1284-Y1347 HydrophobicContact CD1-CD1 3.64Å; I1284-Y1347 HydrophobicContact CD1-CE1 4.02Å; I1284-L1348 HydrophobicContact CD1-CD1 4.33Å; I1284-L1348 HydrophobicContact CD1-CD2 3.79Å; I1284-L1348 HydrophobicContact CD1-CG 3.87Å; I1284-I1373 HydrophobicContact CG1-CB 4.48Å; I1284-F1376 HydrophobicContact CG1-CZ 4.48Å; I1284-F1376 HydrophobicContact CG2-CE2 3.79Å; I1284-F1376 HydrophobicContact CG2-CZ 3.66Å |
| 1285 | V | 92.4 | Very high | 84.6 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 118.2 | 176.3 | 169.7 | 0 | 0 | 0 | 0 | 110 | M1276 M1303 E1304 M1306 L1364 K1372 I1373 A1374 | M1276-V1285 HydrophobicContact CE-CG1 4.41Å; M1276-V1285 WeakPolarHBondContact CE-O 3.49Å; V1285-M1303 HydrophobicContact CG1-CB 4.07Å; V1285-M1303 HydrophobicContact CG1-CG 4.5Å; V1285-M1303 HydrophobicContact CG1-SD 4.32Å; V1285-E1304 WeakPolarHBondContact CA-OE1 3.46Å; V1285-E1304 HydrophobicContact CG1-CG 4.23Å; V1285-M1306 HydrophobicContact CG2-CG 4.27Å; V1285-L1364 HydrophobicContact CG2-CB 4.43Å; V1285-L1364 HydrophobicContact CG2-CD1 4.17Å; V1285-L1364 HydrophobicContact CG2-CG 4.48Å; V1285-K1372 HydrophobicContact CG2-CB 3.78Å; V1285-K1372 HydrophobicContact CG2-CD 4.47Å; V1285-I1373 WeakPolarHBondContact CG2-O 3.33Å; V1285-I1373 PolarHBondContact N-O 3.4Å; V1285-A1374 HydrophobicContact CB-CB 4.21Å; V1285-A1374 HydrophobicContact CG2-CB 3.8Å |
| 1286 | Q | 90.1 | Very high | 83.6 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 129.7 | -171.8 | -168.2 | -178.9 | 11.3 | 0 | 0 | 111.9 | I1284 L1288 M1303 E1304 | I1284-Q1286 PolarHBondContact O-N 2.98Å; Q1286-L1288 HydrophobicContact CG-CD2 4.13Å; Q1286-M1303 WeakPolarHBondContact O-CA 3.33Å; Q1286-E1304 WeakPolarHBondContact CB-OE1 3.46Å; Q1286-E1304 PolarHBondContact N-OE1 3.18Å; Q1286-E1304 PolarHBondContact O-N 3.14Å |
| 1287 | F | 91.6 | Very high | 82.4 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 130.8 | 169 | 178.6 | -104 | 0 | 0 | 0 | 110.5 | W1183 A1273 M1276 K1277 G1289 I1290 I1301 | W1183-F1287 HydrophobicContact CD2-CE1 4.12Å; W1183-F1287 AromaticContact CE3-CD1 3.68Å; W1183-F1287 HydrophobicContact CE3-CD1 3.68Å; W1183-F1287 AromaticContact CE3-CE1 3.47Å; W1183-F1287 HydrophobicContact CE3-CE1 3.47Å; W1183-F1287 VanDerWaalsContact CE3-CE1 3.47Å; W1183-F1287 AromaticContact CZ3-CD1 3.69Å; W1183-F1287 HydrophobicContact CZ3-CD1 3.69Å; W1183-F1287 AromaticContact CZ3-CE1 3.99Å; W1183-F1287 HydrophobicContact CZ3-CE1 3.99Å; A1273-F1287 HydrophobicContact CB-CE2 3.89Å; A1273-F1287 HydrophobicContact CB-CZ 4.23Å; M1276-F1287 HydrophobicContact CB-CB 3.91Å; M1276-F1287 HydrophobicContact CB-CD2 4.24Å; M1276-F1287 HydrophobicContact CB-CG 4.28Å; K1277-F1287 HydrophobicContact CB-CD1 4.02Å; K1277-F1287 HydrophobicContact CB-CE1 4.02Å; F1287-G1289 WeakPolarHBondContact CE2-O 3.35Å; F1287-I1290 HydrophobicContact CE2-CG1 4.28Å; F1287-I1290 HydrophobicContact CZ-CG1 4.1Å; F1287-I1301 HydrophobicContact CD2-CG2 3.98Å; F1287-I1301 HydrophobicContact CE2-CG2 3.93Å |
| 1288 | L | 91.9 | Very high | 82 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -26.3 | -178 | -56.3 | -178.4 | 0 | 0 | 0 | 112.6 | L1214 T1216 A1218 L1222 L1250 V1252 Q1286 I1302 | L1214-L1288 HydrophobicContact CD1-CB 4.3Å; L1214-L1288 HydrophobicContact CD2-CD2 4.47Å; T1216-L1288 WeakPolarHBondContact CB-O 3.39Å; T1216-L1288 WeakPolarHBondContact CG2-O 3.39Å; T1216-L1288 PolarHBondContact OG1-O 2.94Å; A1218-L1288 HydrophobicContact CB-CD2 3.95Å; L1222-L1288 HydrophobicContact CD1-CD2 3.91Å; L1250-L1288 HydrophobicContact CD2-CD1 4.21Å; V1252-L1288 HydrophobicContact CG1-CD1 3.63Å; Q1286-L1288 HydrophobicContact CG-CD2 4.13Å; L1288-I1302 HydrophobicContact CB-CB 4.42Å; L1288-I1302 HydrophobicContact CB-CG2 4.07Å; L1288-I1302 HydrophobicContact CD1-CG2 4.28Å; L1288-I1302 PolarHBondContact N-O 3.36Å |
| 1289 | G | 91.8 | Very high | 82 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.7 | -172.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1183 F1287 I1302 | W1183-G1289 CarbonylContact O-C 3.6Å; W1183-G1289 WeakPolarHBondContact O-CA 3.18Å; F1287-G1289 WeakPolarHBondContact CE2-O 3.35Å; G1289-I1302 PolarHBondContact N-O 3.49Å; G1289-I1302 WeakPolarHBondContact O-CD1 3.35Å; G1289-I1302 PolarHBondContact O-N 3.33Å |
| 1290 | I | 91.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149.5 | 170.3 | -80.8 | 175 | 0 | 0 | 0 | 109.7 | I1179 W1183 I1184 I1185 Y1270 A1273 F1287 L1292 P1299 V1300 I1301 | I1179-I1290 HydrophobicContact CD1-CD1 3.63Å; W1183-I1290 PolarHBondContact O-N 3.24Å; I1184-I1290 CarbonylContact C-O 3.21Å; I1184-I1290 WeakPolarHBondContact CA-O 3.33Å; I1185-I1290 PolarHBondContact N-O 3.14Å; Y1270-I1290 HydrophobicContact CD1-CD1 4.01Å; Y1270-I1290 HydrophobicContact CE1-CD1 4.09Å; A1273-I1290 HydrophobicContact CB-CD1 3.74Å; A1273-I1290 HydrophobicContact CB-CG1 4.38Å; F1287-I1290 HydrophobicContact CE2-CG1 4.28Å; F1287-I1290 HydrophobicContact CZ-CG1 4.1Å; I1290-L1292 HydrophobicContact CG2-CD2 4.12Å; I1290-P1299 HydrophobicContact CG2-CB 4.28Å; I1290-V1300 VanDerWaalsContact CA-O 3.27Å; I1290-V1300 WeakPolarHBondContact CA-O 3.23Å; I1290-I1301 HydrophobicContact CG1-CG1 4.22Å |
| 1291 | A | 89.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 156.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I1185 M1187 L1190 V1300 I1302 | I1185-A1291 WeakPolarHBondContact O-CB 3.21Å; M1187-A1291 HydrophobicContact SD-CB 4.16Å; L1190-A1291 HydrophobicContact CD2-CB 3.69Å; A1291-V1300 HydrophobicContact CB-CG2 3.8Å; A1291-V1300 PolarHBondContact N-O 3.04Å; A1291-V1300 WeakPolarHBondContact O-CG2 3.4Å; A1291-V1300 PolarHBondContact O-N 3.11Å; A1291-I1302 HydrophobicContact CB-CD1 3.99Å; A1291-I1302 VanDerWaalsContact N-CD1 3.35Å |
| 1292 | L | 83.6 | Confident | 82.5 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 27% | 0.272 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.3 | -177.9 | -59.8 | 177.7 | 0 | 0 | 0 | 110.1 | L1174 I1290 Q1294 P1299 | L1174-L1292 HydrophobicContact CD1-CD1 4.12Å; L1174-L1292 HydrophobicContact CD1-CD2 4.07Å; I1290-L1292 HydrophobicContact CG2-CD2 4.12Å; L1292-Q1294 PolarHBondContact O-N 3.32Å; L1292-P1299 HydrophobicContact CD2-CB 4.26Å |
| 1293 | R | 69.7 | Low | 82.6 | Confident | 104 Ų | 104 | 32.8 Ų | 32.8 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 99.7 | -171.2 | -165.4 | 174.2 | -173.9 | 165.4 | 3.2 | 111.8 | S1296 S1297 H1298 | R1293-S1296 PolarHBondContact O-N 2.95Å; R1293-S1296 PolarHBondContact O-OG 2.88Å; R1293-S1297 PolarHBondContact O-N 3.41Å; R1293-S1297 VanDerWaalsContact O-N 3.1Å; R1293-H1298 PolarHBondContact N-O 3.45Å; R1293-H1298 VanDerWaalsContact N-O 3.11Å |
| 1294 | Q | 61.1 | Low | 82.4 | Confident | 142 Ų | 142 | 32.1 Ų | 32.1 | 66% | 0.664 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 150.2 | 173.4 | -70.9 | -163.6 | 6.1 | 0 | 0 | 112.2 | L1292 | L1292-Q1294 PolarHBondContact O-N 3.32Š|
| 1295 | P | 52.5 | Low | 82.3 | Confident | 135 Ų | 135 | 34.7 Ų | 34.7 | 88% | 0.877 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -85.8 | -0.5 | 4.7 | 36.2 | -37.6 | 0 | 0 | 0 | 114.9 | ||
| 1296 | S | 56 | Low | 82.3 | Confident | 65 Ų | 65 | 35 Ų | 35 | 46% | 0.455 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 7.9 | -170.1 | 60 | 0 | 0 | 0 | 0 | 115 | R1293 H1298 | R1293-S1296 PolarHBondContact O-N 2.95Å; R1293-S1296 PolarHBondContact O-OG 2.88Å; S1296-H1298 PolarHBondContact O-N 2.77Å; S1296-H1298 PolarHBondContact O-ND1 3.3Å |
| 1297 | S | 61.5 | Low | 82.2 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -3.2 | 179.8 | -66.7 | 0 | 0 | 0 | 0 | 117.8 | E1170 R1293 | E1170-S1297 WeakPolarHBondContact OE1-CB 3.45Å; E1170-S1297 WeakPolarHBondContact OE2-CB 3.15Å; E1170-S1297 PolarHBondContact OE2-OG 2.75Å; R1293-S1297 PolarHBondContact O-N 3.41Å; R1293-S1297 VanDerWaalsContact O-N 3.1Å |
| 1298 | H | 75.8 | Confident | 82 | Confident | 53 Ų | 53 | 39.3 Ų | 39.3 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 130.7 | -171.7 | -76.6 | 33.1 | 0 | 0 | 0 | 111.1 | R1293 S1296 | R1293-H1298 PolarHBondContact N-O 3.45Å; R1293-H1298 VanDerWaalsContact N-O 3.11Å; S1296-H1298 PolarHBondContact O-N 2.77Å; S1296-H1298 PolarHBondContact O-ND1 3.3Å |
| 1299 | P | 82.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 147 | 177.7 | 28.4 | -35.7 | 0 | 0 | 0 | 111.5 | L1257 F1269 Y1270 I1290 L1292 | L1257-P1299 HydrophobicContact CD1-CG 3.97Å; F1269-P1299 HydrophobicContact CD1-CB 4.27Å; F1269-P1299 HydrophobicContact CD1-CG 3.87Å; F1269-P1299 HydrophobicContact CE1-CB 4.39Å; F1269-P1299 HydrophobicContact CE1-CG 4.33Å; F1269-P1299 WeakPolarHBondContact CE1-O 3.07Å; Y1270-P1299 HydrophobicContact CD1-CB 4.5Å; Y1270-P1299 HydrophobicContact CE1-CB 3.74Å; Y1270-P1299 HydrophobicContact CE1-CG 3.99Å; Y1270-P1299 HydrophobicContact CE2-CG 4.03Å; I1290-P1299 HydrophobicContact CG2-CB 4.28Å; L1292-P1299 HydrophobicContact CD2-CB 4.26Å |
| 1300 | V | 89.2 | Confident | 82 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.1 | 164.2 | -58.2 | 0 | 0 | 0 | 0 | 109 | L1190 V1254 K1255 T1256 I1290 A1291 I1302 | L1190-V1300 HydrophobicContact CD2-CG2 4.17Å; V1254-V1300 HydrophobicContact CG1-CB 3.89Å; V1254-V1300 HydrophobicContact CG1-CG2 4Å; K1255-V1300 CarbonylContact O-C 3.57Å; K1255-V1300 VanDerWaalsContact O-CA 3.3Å; K1255-V1300 WeakPolarHBondContact O-CA 3.45Å; K1255-V1300 WeakPolarHBondContact O-CB 2.92Å; T1256-V1300 HydrophobicContact CG2-CB 4.33Å; T1256-V1300 HydrophobicContact CG2-CG1 3.69Å; I1290-V1300 VanDerWaalsContact CA-O 3.27Å; I1290-V1300 WeakPolarHBondContact CA-O 3.23Å; A1291-V1300 HydrophobicContact CB-CG2 3.8Å; A1291-V1300 PolarHBondContact N-O 3.04Å; A1291-V1300 WeakPolarHBondContact O-CG2 3.4Å; A1291-V1300 PolarHBondContact O-N 3.11Å; V1300-I1302 HydrophobicContact CG2-CD1 4.24Å |
| 1301 | I | 91 | Very high | 82.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.9 | 179.9 | -69.9 | 164.2 | 0 | 0 | 0 | 108.6 | V1254 K1255 F1269 A1273 F1287 I1290 M1303 | V1254-I1301 CarbonylContact C-O 3.56Å; V1254-I1301 WeakPolarHBondContact CA-O 3.45Å; K1255-I1301 HydrophobicContact CB-CB 4.22Å; K1255-I1301 PolarHBondContact N-O 2.9Å; K1255-I1301 PolarHBondContact O-N 3.15Å; F1269-I1301 HydrophobicContact CD1-CD1 3.79Å; F1269-I1301 HydrophobicContact CD1-CG1 4.15Å; F1269-I1301 HydrophobicContact CD2-CD1 4.38Å; F1269-I1301 HydrophobicContact CE1-CB 4.37Å; F1269-I1301 HydrophobicContact CE1-CD1 3.58Å; F1269-I1301 HydrophobicContact CE1-CG1 3.62Å; F1269-I1301 HydrophobicContact CE2-CD1 4.2Å; F1269-I1301 HydrophobicContact CG-CD1 4.2Å; F1269-I1301 HydrophobicContact CZ-CB 4.41Å; F1269-I1301 HydrophobicContact CZ-CD1 3.79Å; F1269-I1301 HydrophobicContact CZ-CG1 4.04Å; A1273-I1301 HydrophobicContact CB-CD1 3.82Å; A1273-I1301 HydrophobicContact CB-CG1 3.93Å; F1287-I1301 HydrophobicContact CD2-CG2 3.98Å; F1287-I1301 HydrophobicContact CE2-CG2 3.93Å; I1290-I1301 HydrophobicContact CG1-CG1 4.22Å; I1301-M1303 HydrophobicContact CG2-CG 3.91Å; I1301-M1303 HydrophobicContact CG2-SD 4.34Å |
| 1302 | I | 92.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.8 | 179.4 | -57 | 83.8 | 0 | 0 | 0 | 109.1 | I1185 L1190 V1211 V1252 L1288 G1289 A1291 V1300 | I1185-I1302 HydrophobicContact CD1-CB 4.09Å; I1185-I1302 HydrophobicContact CD1-CD1 4.14Å; I1185-I1302 HydrophobicContact CD1-CG1 4.08Å; I1185-I1302 HydrophobicContact CD1-CG2 4.24Å; L1190-I1302 HydrophobicContact CD1-CG1 4.32Å; L1190-I1302 HydrophobicContact CD2-CD1 4.04Å; L1190-I1302 HydrophobicContact CD2-CG1 3.92Å; V1211-I1302 HydrophobicContact CG2-CG2 4.15Å; V1252-I1302 HydrophobicContact CB-CG2 3.7Å; V1252-I1302 HydrophobicContact CG1-CG2 3.82Å; V1252-I1302 HydrophobicContact CG2-CG2 3.84Å; L1288-I1302 HydrophobicContact CB-CB 4.42Å; L1288-I1302 HydrophobicContact CB-CG2 4.07Å; L1288-I1302 HydrophobicContact CD1-CG2 4.28Å; L1288-I1302 PolarHBondContact N-O 3.36Å; G1289-I1302 PolarHBondContact N-O 3.49Å; G1289-I1302 WeakPolarHBondContact O-CD1 3.35Å; G1289-I1302 PolarHBondContact O-N 3.33Å; A1291-I1302 HydrophobicContact CB-CD1 3.99Å; A1291-I1302 VanDerWaalsContact N-CD1 3.35Å; V1300-I1302 HydrophobicContact CG2-CD1 4.24Å |
| 1303 | M | 92.3 | Very high | 82.5 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 165.5 | -177.5 | -56.7 | 170.8 | -67.5 | 0 | 0 | 110.6 | V1252 A1253 K1255 M1276 V1285 Q1286 I1301 | V1252-M1303 WeakPolarHBondContact CA-O 3.38Å; V1252-M1303 WeakPolarHBondContact CB-O 3.42Å; A1253-M1303 HydrophobicContact CB-CB 4.49Å; A1253-M1303 HydrophobicContact CB-CE 4.25Å; A1253-M1303 PolarHBondContact N-O 3.31Å; A1253-M1303 PolarHBondContact O-N 3.33Å; K1255-M1303 HydrophobicContact CB-CE 4.02Å; M1276-M1303 HydrophobicContact CE-CG 4.08Å; M1276-M1303 HydrophobicContact CE-SD 3.89Å; M1276-M1303 HydrophobicContact SD-SD 4.34Å; V1285-M1303 HydrophobicContact CG1-CB 4.07Å; V1285-M1303 HydrophobicContact CG1-CG 4.5Å; V1285-M1303 HydrophobicContact CG1-SD 4.32Å; Q1286-M1303 WeakPolarHBondContact O-CA 3.33Å; I1301-M1303 HydrophobicContact CG2-CG 3.91Å; I1301-M1303 HydrophobicContact CG2-SD 4.34Å |
| 1304 | E | 91.2 | Very high | 83.5 | Confident | 34 Ų | 34 | 38.7 Ų | 38.7 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 147.9 | 171 | 75.5 | -174.7 | 113.2 | 0 | 0 | 112.8 | V1285 Q1286 M1306 K1372 | V1285-E1304 WeakPolarHBondContact CA-OE1 3.46Å; V1285-E1304 HydrophobicContact CG1-CG 4.23Å; Q1286-E1304 WeakPolarHBondContact CB-OE1 3.46Å; Q1286-E1304 PolarHBondContact N-OE1 3.18Å; Q1286-E1304 PolarHBondContact O-N 3.14Å; E1304-M1306 HydrophobicContact CG-CG 4.37Å; E1304-M1306 HydrophobicContact CG-SD 4Å; E1304-M1306 PolarHBondContact O-N 3.32Å; E1304-K1372 VanDerWaalsContact OE1-CD 3.26Å; E1304-K1372 WeakPolarHBondContact OE1-CD 3.24Å; E1304-K1372 WeakPolarHBondContact OE1-CE 3.5Å; E1304-K1372 IonicContact OE1-NZ 2.91Å; E1304-K1372 PolarHBondContact OE1-NZ 2.92Å; E1304-K1372 WeakPolarHBondContact OE2-CE 3.34Å; E1304-K1372 IonicContact OE2-NZ 3.61Å; E1304-K1372 PolarHBondContact OE2-NZ 3.16Å |
| 1305 | Y | 91.2 | Very high | 84.7 | Confident | 57 Ų | 57 | 32 Ų | 32 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | trans | -85.8 | 112.9 | 179.9 | 177.4 | -113.2 | 0 | 0 | 0 | 112.9 | L1198 K1208 E1251 A1307 | L1198-Y1305 HydrophobicContact CD1-CD2 3.86Å; L1198-Y1305 HydrophobicContact CD1-CE2 3.68Å; L1198-Y1305 HydrophobicContact CD2-CE2 3.92Å; L1198-Y1305 HydrophobicContact CG-CE2 4.48Å; K1208-Y1305 HydrophobicContact CD-CE2 4.04Å; K1208-Y1305 HydrophobicContact CG-CD2 4.23Å; K1208-Y1305 HydrophobicContact CG-CE2 4.06Å; E1251-Y1305 HydrophobicContact CB-CD1 4.09Å; E1251-Y1305 HydrophobicContact CB-CG 4.3Å; E1251-Y1305 WeakPolarHBondContact O-CB 3.34Å; E1251-Y1305 WeakPolarHBondContact OE2-CD1 3.1Å; Y1305-A1307 HydrophobicContact CD1-CB 4.2Å; Y1305-A1307 HydrophobicContact CE1-CB 3.69Å; Y1305-A1307 PolarHBondContact O-N 2.63Å | ||
| 1306 | M | 92.2 | Very high | 86.2 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 5% | 0.054 | 17% | 0.166 | C | C | . | . | trans | -92.4 | 90.1 | -179.7 | -61.8 | -62.8 | -75.3 | 0 | 0 | 111.3 | V1285 E1304 F1308 G1309 L1364 V1365 N1366 K1372 | V1285-M1306 HydrophobicContact CG2-CG 4.27Å; E1304-M1306 HydrophobicContact CG-CG 4.37Å; E1304-M1306 HydrophobicContact CG-SD 4Å; E1304-M1306 PolarHBondContact O-N 3.32Å; M1306-F1308 PolarHBondContact O-N 3.41Å; M1306-G1309 PolarHBondContact O-N 3.14Å; M1306-L1364 HydrophobicContact CB-CB 3.69Å; M1306-L1364 HydrophobicContact CB-CD1 4.09Å; M1306-L1364 VanDerWaalsContact CE-C 3.41Å; M1306-L1364 HydrophobicContact CE-CB 3.87Å; M1306-L1364 WeakPolarHBondContact CE-O 3.34Å; M1306-L1364 HydrophobicContact CG-CB 3.69Å; M1306-L1364 HydrophobicContact CG-CD1 3.94Å; M1306-L1364 HydrophobicContact CG-CG 4.48Å; M1306-V1365 CarbonylContact C-O 3.33Å; M1306-N1366 HydrophobicContact CE-CB 3.85Å; M1306-N1366 HydrophobicContact SD-CB 3.87Å; M1306-K1372 HydrophobicContact CE-CB 3.8Å; M1306-K1372 HydrophobicContact CE-CD 3.9Å; M1306-K1372 HydrophobicContact CE-CG 3.74Å; M1306-K1372 HydrophobicContact SD-CD 4.01Å | ||
| 1307 | A | 86.9 | Confident | 87.2 | Confident | 34 Ų | 34 | 33.2 Ų | 33.2 | 28% | 0.281 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.7 | -161.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | Y1305 V1365 | Y1305-A1307 HydrophobicContact CD1-CB 4.2Å; Y1305-A1307 HydrophobicContact CE1-CB 3.69Å; Y1305-A1307 PolarHBondContact O-N 2.63Å; A1307-V1365 PolarHBondContact N-O 2.92Å |
| 1308 | F | 88.8 | Confident | 87.7 | Confident | 92 Ų | 92 | 36.3 Ų | 36.3 | 40% | 0.404 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 4.8 | 175.4 | -65.2 | -49.8 | 0 | 0 | 0 | 114.3 | M1306 Y1314 V1365 N1366 L1369 | M1306-F1308 PolarHBondContact O-N 3.41Å; F1308-Y1314 HydrophobicContact CB-CD2 3.89Å; F1308-Y1314 HydrophobicContact CB-CE2 4.33Å; F1308-Y1314 HydrophobicContact CD2-CE2 4.27Å; F1308-Y1314 HydrophobicContact CG-CD2 4.24Å; F1308-Y1314 HydrophobicContact CG-CE2 4.18Å; F1308-V1365 HydrophobicContact CB-CB 4.17Å; F1308-V1365 HydrophobicContact CB-CG1 4.35Å; F1308-V1365 HydrophobicContact CD2-CG1 4.18Å; F1308-V1365 PolarHBondContact N-O 2.97Å; F1308-N1366 WeakPolarHBondContact CD2-O 3.27Å; F1308-N1366 WeakPolarHBondContact CE2-O 3.28Å; F1308-L1369 HydrophobicContact CD2-CD2 3.79Å; F1308-L1369 HydrophobicContact CE2-CD2 3.63Å |
| 1309 | G | 90.4 | Very high | 87.1 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 32% | 0.32 | 19% | 0.188 | S | C | . | . | trans | 75.4 | -150.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1306 L1364 V1365 | M1306-G1309 PolarHBondContact O-N 3.14Å; G1309-L1364 CarbonylContact O-C 3.57Å; G1309-L1364 WeakPolarHBondContact O-CA 3.46Å; G1309-V1365 PolarHBondContact O-N 3.24Å | ||
| 1310 | D | 92.8 | Very high | 85.4 | Confident | 35 Ų | 35 | 39.1 Ų | 39.1 | 19% | 0.187 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -77.9 | 150.1 | 177.8 | 70 | 101.2 | 0 | 0 | 0 | 113.1 | A1312 T1313 Y1314 R1361 C1363 L1364 | D1310-A1312 VanDerWaalsContact C-N 3.29Å; D1310-A1312 PolarHBondContact O-N 2.8Å; D1310-A1312 WeakPolarHBondContact OD1-CB 3.38Å; D1310-A1312 PolarHBondContact OD1-N 2.97Å; D1310-T1313 VanDerWaalsContact CG-OG1 3.26Å; D1310-T1313 PolarHBondContact O-N 3.37Å; D1310-T1313 WeakPolarHBondContact OD1-CB 3.41Å; D1310-T1313 PolarHBondContact OD1-N 3.28Å; D1310-T1313 PolarHBondContact OD1-OG1 2.92Å; D1310-T1313 VanDerWaalsContact OD1-OG1 3.13Å; D1310-T1313 WeakPolarHBondContact OD2-CB 3.41Å; D1310-T1313 PolarHBondContact OD2-OG1 2.65Å; D1310-Y1314 WeakPolarHBondContact O-CB 3.15Å; D1310-Y1314 PolarHBondContact O-N 3.38Å; D1310-R1361 VanDerWaalsContact CB-O 3.27Å; D1310-R1361 WeakPolarHBondContact CB-O 3.49Å; D1310-C1363 CarbonylContact C-O 3.52Å; D1310-C1363 WeakPolarHBondContact CA-O 3.49Å; D1310-L1364 HydrophobicContact CB-CD2 3.85Å |
| 1311 | L | 94.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -36.9 | -178.2 | 177.7 | 64.9 | 0 | 0 | 0 | 110.9 | Y1314 L1315 W1337 A1360 C1363 V1365 V1371 I1427 | L1311-Y1314 HydrophobicContact CD1-CD1 4.42Å; L1311-Y1314 PolarHBondContact O-N 2.79Å; L1311-L1315 HydrophobicContact CD1-CD1 4.23Å; L1311-L1315 HydrophobicContact CD1-CG 4.05Å; L1311-L1315 HydrophobicContact CG-CD1 3.85Å; L1311-L1315 HydrophobicContact CG-CG 4.18Å; L1311-L1315 VanDerWaalsContact O-CB 3.28Å; L1311-L1315 WeakPolarHBondContact O-CB 3.44Å; L1311-L1315 WeakPolarHBondContact O-CD1 3.35Å; L1311-L1315 WeakPolarHBondContact O-CG 3.37Å; L1311-L1315 PolarHBondContact O-N 3.16Å; L1311-W1337 HydrophobicContact CD1-CD2 4.22Å; L1311-W1337 HydrophobicContact CD1-CE3 4.03Å; L1311-W1337 HydrophobicContact CD1-CH2 3.92Å; L1311-W1337 HydrophobicContact CD1-CZ2 4.1Å; L1311-W1337 HydrophobicContact CD1-CZ3 3.88Å; L1311-A1360 WeakPolarHBondContact CB-O 3.44Å; L1311-A1360 HydrophobicContact CD2-CB 4.47Å; L1311-A1360 PolarHBondContact N-O 2.68Å; L1311-C1363 HydrophobicContact CB-CB 4.1Å; L1311-C1363 VanDerWaalsContact CB-O 3.31Å; L1311-C1363 WeakPolarHBondContact CB-O 3.36Å; L1311-C1363 HydrophobicContact CD2-CB 4.31Å; L1311-C1363 PolarHBondContact N-O 3.21Å; L1311-V1365 HydrophobicContact CB-CG2 3.85Å; L1311-V1365 HydrophobicContact CD1-CG2 3.82Å; L1311-V1365 HydrophobicContact CG-CG2 4.44Å; L1311-V1371 HydrophobicContact CD2-CG2 4.25Å; L1311-I1427 HydrophobicContact CD2-CD1 4.17Å; L1311-I1427 HydrophobicContact CD2-CG1 4.04Å |
| 1312 | A | 92 | Very high | 80.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1310 R1316 A1360 R1361 A1431 | D1310-A1312 VanDerWaalsContact C-N 3.29Å; D1310-A1312 PolarHBondContact O-N 2.8Å; D1310-A1312 WeakPolarHBondContact OD1-CB 3.38Å; D1310-A1312 PolarHBondContact OD1-N 2.97Å; A1312-R1316 VanDerWaalsContact O-CG 3.26Å; A1312-R1316 WeakPolarHBondContact O-CG 3.22Å; A1312-R1316 PolarHBondContact O-N 3.18Å; A1312-R1316 VanDerWaalsContact O-N 3.1Å; A1312-A1360 HydrophobicContact CB-CB 4Å; A1312-A1360 PolarHBondContact N-O 3.37Å; A1312-R1361 HydrophobicContact CB-CB 4.43Å; A1312-A1431 VanDerWaalsContact CA-CB 3.49Å; A1312-A1431 HydrophobicContact CB-CB 3.55Å |
| 1313 | T | 89.5 | Confident | 78.1 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 171.6 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | D1310 R1316 Q1317 | D1310-T1313 VanDerWaalsContact CG-OG1 3.26Å; D1310-T1313 PolarHBondContact O-N 3.37Å; D1310-T1313 WeakPolarHBondContact OD1-CB 3.41Å; D1310-T1313 PolarHBondContact OD1-N 3.28Å; D1310-T1313 PolarHBondContact OD1-OG1 2.92Å; D1310-T1313 VanDerWaalsContact OD1-OG1 3.13Å; D1310-T1313 WeakPolarHBondContact OD2-CB 3.41Å; D1310-T1313 PolarHBondContact OD2-OG1 2.65Å; T1313-R1316 PolarHBondContact O-N 2.68Å; T1313-Q1317 WeakPolarHBondContact O-CG 3.24Å; T1313-Q1317 PolarHBondContact O-N 3.38Å |
| 1314 | Y | 89.6 | Confident | 75.5 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 11% | 0.106 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 176.7 | -177.4 | -100.6 | 0 | 0 | 0 | 111.9 | F1308 D1310 L1311 Q1317 Q1318 W1337 L1369 | F1308-Y1314 HydrophobicContact CB-CD2 3.89Å; F1308-Y1314 HydrophobicContact CB-CE2 4.33Å; F1308-Y1314 HydrophobicContact CD2-CE2 4.27Å; F1308-Y1314 HydrophobicContact CG-CD2 4.24Å; F1308-Y1314 HydrophobicContact CG-CE2 4.18Å; D1310-Y1314 WeakPolarHBondContact O-CB 3.15Å; D1310-Y1314 PolarHBondContact O-N 3.38Å; L1311-Y1314 HydrophobicContact CD1-CD1 4.42Å; L1311-Y1314 PolarHBondContact O-N 2.79Å; Y1314-Q1317 WeakPolarHBondContact O-CB 3.18Å; Y1314-Q1317 PolarHBondContact O-N 3.09Å; Y1314-Q1318 HydrophobicContact CD1-CG 4.45Å; Y1314-Q1318 HydrophobicContact CE1-CG 4.06Å; Y1314-Q1318 VanDerWaalsContact CZ-NE2 3.28Å; Y1314-Q1318 WeakPolarHBondContact O-CG 3.48Å; Y1314-Q1318 PolarHBondContact O-N 3.27Å; Y1314-Q1318 PolarHBondContact OH-NE2 3.41Å; Y1314-W1337 HydrophobicContact CD1-CH2 4.02Å; Y1314-W1337 HydrophobicContact CD1-CZ2 4.27Å; Y1314-W1337 AromaticContact CE1-CH2 3.76Å; Y1314-W1337 HydrophobicContact CE1-CH2 3.76Å; Y1314-W1337 AromaticContact CE1-CZ2 3.92Å; Y1314-W1337 HydrophobicContact CE1-CZ2 3.92Å; Y1314-L1369 HydrophobicContact CE1-CD2 4.38Å; Y1314-L1369 HydrophobicContact CE2-CD2 4.15Å; Y1314-L1369 VanDerWaalsContact OH-CD2 3.29Å; Y1314-L1369 WeakPolarHBondContact OH-CD2 3.27Å |
| 1315 | L | 87.2 | Confident | 73 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.1 | -52.2 | 175.5 | -74.1 | 167.8 | 0 | 0 | 0 | 111.3 | L1311 Q1317 Q1318 M1319 I1329 W1337 I1427 A1431 | L1311-L1315 HydrophobicContact CD1-CD1 4.23Å; L1311-L1315 HydrophobicContact CD1-CG 4.05Å; L1311-L1315 HydrophobicContact CG-CD1 3.85Å; L1311-L1315 HydrophobicContact CG-CG 4.18Å; L1311-L1315 VanDerWaalsContact O-CB 3.28Å; L1311-L1315 WeakPolarHBondContact O-CB 3.44Å; L1311-L1315 WeakPolarHBondContact O-CD1 3.35Å; L1311-L1315 WeakPolarHBondContact O-CG 3.37Å; L1311-L1315 PolarHBondContact O-N 3.16Å; L1315-Q1317 VanDerWaalsContact C-N 3.28Å; L1315-Q1317 PolarHBondContact O-N 3.21Å; L1315-Q1318 PolarHBondContact O-N 2.95Å; L1315-Q1318 VanDerWaalsContact O-N 3.08Å; L1315-M1319 PolarHBondContact O-N 2.76Å; L1315-I1329 HydrophobicContact CD2-CD1 3.35Å; L1315-I1329 HydrophobicContact CD2-CG1 4.16Å; L1315-W1337 HydrophobicContact CD2-CZ3 4.14Å; L1315-I1427 HydrophobicContact CD1-CG1 4.36Å; L1315-A1431 HydrophobicContact CB-CB 4.21Å; L1315-A1431 HydrophobicContact CD1-CB 4Å |
| 1316 | R | 83.7 | Confident | 70.6 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -32.6 | 177.1 | -68.1 | 171.9 | -162.2 | 129.6 | 3.7 | 112.9 | A1312 T1313 M1319 F1430 A1431 | A1312-R1316 VanDerWaalsContact O-CG 3.26Å; A1312-R1316 WeakPolarHBondContact O-CG 3.22Å; A1312-R1316 PolarHBondContact O-N 3.18Å; A1312-R1316 VanDerWaalsContact O-N 3.1Å; T1313-R1316 PolarHBondContact O-N 2.68Å; R1316-M1319 VanDerWaalsContact O-CB 3.23Å; R1316-M1319 WeakPolarHBondContact O-CB 3.45Å; R1316-M1319 PolarHBondContact O-N 3.36Å; R1316-F1430 WeakPolarHBondContact CG-O 3Å; R1316-A1431 HydrophobicContact CG-CB 4.43Å; R1316-A1431 VanDerWaalsContact CZ-O 3.3Å; R1316-A1431 PolarHBondContact NE-O 2.77Å; R1316-A1431 PolarHBondContact NH2-O 2.82Å |
| 1317 | Q | 76.8 | Confident | 68.4 | Low | 104 Ų | 104 | 64.9 Ų | 64.9 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 172.8 | -75.6 | -175.8 | 45.3 | 0 | 0 | 111.8 | R815 T1313 Y1314 L1315 M1319 S1320 | R815-Q1317 PolarHBondContact NH2-O 3.5Å; T1313-Q1317 WeakPolarHBondContact O-CG 3.24Å; T1313-Q1317 PolarHBondContact O-N 3.38Å; Y1314-Q1317 WeakPolarHBondContact O-CB 3.18Å; Y1314-Q1317 PolarHBondContact O-N 3.09Å; L1315-Q1317 VanDerWaalsContact C-N 3.28Å; L1315-Q1317 PolarHBondContact O-N 3.21Å; Q1317-M1319 PolarHBondContact O-N 3.02Å; Q1317-S1320 PolarHBondContact O-OG 3.34Å |
| 1318 | Q | 71.5 | Confident | 66.7 | Low | 85 Ų | 85 | 65.7 Ų | 65.7 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -22.6 | 172.4 | -57.9 | -55.7 | -2.7 | 0 | 0 | 112.9 | Y1314 L1315 S1320 F1430 | Y1314-Q1318 HydrophobicContact CD1-CG 4.45Å; Y1314-Q1318 HydrophobicContact CE1-CG 4.06Å; Y1314-Q1318 VanDerWaalsContact CZ-NE2 3.28Å; Y1314-Q1318 WeakPolarHBondContact O-CG 3.48Å; Y1314-Q1318 PolarHBondContact O-N 3.27Å; Y1314-Q1318 PolarHBondContact OH-NE2 3.41Å; L1315-Q1318 PolarHBondContact O-N 2.95Å; L1315-Q1318 VanDerWaalsContact O-N 3.08Å; Q1318-S1320 PolarHBondContact O-N 3.29Å; Q1318-F1430 HydrophobicContact CB-CE1 4.47Å |
| 1319 | M | 63.2 | Low | 65.6 | Low | 85 Ų | 85 | 62.7 Ų | 62.7 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -68.9 | 33.7 | 172.7 | -150.8 | 179.9 | 116.6 | 0 | 0 | 114.2 | R813 L1315 R1316 Q1317 F1430 | R813-M1319 PolarHBondContact NE-O 3.34Å; R813-M1319 PolarHBondContact NH2-O 3.15Å; L1315-M1319 PolarHBondContact O-N 2.76Å; R1316-M1319 VanDerWaalsContact O-CB 3.23Å; R1316-M1319 WeakPolarHBondContact O-CB 3.45Å; R1316-M1319 PolarHBondContact O-N 3.36Å; Q1317-M1319 PolarHBondContact O-N 3.02Å; M1319-F1430 HydrophobicContact CB-CB 4.11Å; M1319-F1430 HydrophobicContact CB-CD1 4.26Å; M1319-F1430 HydrophobicContact CB-CG 4.33Å; M1319-F1430 HydrophobicContact CG-CB 3.89Å; M1319-F1430 HydrophobicContact CG-CD1 4.49Å; M1319-F1430 HydrophobicContact CG-CG 4.13Å; M1319-F1430 HydrophobicContact SD-CB 3.56Å; M1319-F1430 VanDerWaalsContact SD-CB 3.56Å; M1319-F1430 HydrophobicContact SD-CG 4.37Å |
| 1320 | S | 46.8 | Very low | 64.9 | Low | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | trans | -153.4 | 66 | 177.8 | 59.9 | 0 | 0 | 0 | 0 | 115.1 | R815 Q1317 Q1318 | R815-S1320 PolarHBondContact NE-O 2.77Å; R815-S1320 PolarHBondContact NE-OG 2.63Å; R815-S1320 PolarHBondContact NH2-OG 2.88Å; Q1317-S1320 PolarHBondContact O-OG 3.34Å; Q1318-S1320 PolarHBondContact O-N 3.29Å | ||
| 1321 | K | 44 | Very low | 64.2 | Low | 140 Ų | 140 | 66.9 Ų | 66.9 | 61% | 0.609 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -144 | -7.2 | 168 | -128 | -159.7 | 173.2 | -160.7 | 0 | 121.2 | I814 | I814-K1321 VanDerWaalsContact CD1-O 3.27Å; I814-K1321 WeakPolarHBondContact CD1-O 3.27Å; I814-K1321 HydrophobicContact CG1-CG 4.36Å |
| 1322 | D | 35.9 | Very low | 63.6 | Low | 108 Ų | 108 | 70.4 Ų | 70.4 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -168.4 | 176.2 | 161.8 | -99.8 | -45.4 | 0 | 0 | 0 | 109.3 | R813 | R813-D1322 WeakPolarHBondContact CD-O 3.33Å; R813-D1322 VanDerWaalsContact CZ-O 3.3Å; R813-D1322 PolarHBondContact NE-O 3.43Å; R813-D1322 PolarHBondContact NH1-O 3.15Å |
| 1323 | D | 39.4 | Very low | 63.4 | Low | 37 Ų | 37 | 72 Ų | 72 | 20% | 0.198 | 38% | 0.384 | C | S | . | . | trans | -57.9 | 167.9 | -173.6 | -140.4 | -25.5 | 0 | 0 | 0 | 114.6 | S810 V812 P1325 | S810-D1323 WeakPolarHBondContact CB-OD2 3.47Å; S810-D1323 PolarHBondContact OG-OD2 3.2Å; V812-D1323 HydrophobicContact CG2-CB 3.52Å; D1323-P1325 VanDerWaalsContact C-CD 3.48Å; D1323-P1325 VanDerWaalsContact C-N 3.3Å; D1323-P1325 VanDerWaalsContact O-CD 3.32Å; D1323-P1325 WeakPolarHBondContact O-CD 3.35Å | ||
| 1324 | C | 38.3 | Very low | 63.4 | Low | 91 Ų | 91 | 69.7 Ų | 69.7 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 80.5 | 166.6 | -160.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1325 | P | 38.2 | Very low | 63.4 | Low | 98 Ų | 98 | 68.5 Ų | 68.5 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | -140.4 | 4.9 | 120.3 | 39.1 | -28.6 | 0 | 0 | 0 | 115.2 | D1323 | D1323-P1325 VanDerWaalsContact C-CD 3.48Å; D1323-P1325 VanDerWaalsContact C-N 3.3Å; D1323-P1325 VanDerWaalsContact O-CD 3.32Å; D1323-P1325 WeakPolarHBondContact O-CD 3.35Å | |
| 1326 | Q | 42 | Very low | 63.6 | Low | 149 Ų | 149 | 71.2 Ų | 71.2 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | -11.8 | -173.8 | -65.4 | -164.1 | 8.3 | 0 | 0 | 116.5 | S1328 | Q1326-S1328 PolarHBondContact O-N 2.86Š|
| 1327 | G | 44.3 | Very low | 64.1 | Low | 44 Ų | 44 | 65.6 Ų | 65.6 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | trans | -68.2 | 95.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1430 | G1327-F1430 VanDerWaalsContact O-CE2 3.29Å; G1327-F1430 WeakPolarHBondContact O-CE2 3.1Å; G1327-F1430 VanDerWaalsContact O-CZ 3.27Å; G1327-F1430 WeakPolarHBondContact O-CZ 3.46Å | ||
| 1328 | S | 52.6 | Low | 64.9 | Low | 50 Ų | 50 | 60.6 Ų | 60.6 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | trans | -114.8 | 136.9 | 170.6 | 52 | 0 | 0 | 0 | 0 | 110.6 | Q1326 K1461 | Q1326-S1328 PolarHBondContact O-N 2.86Å; S1328-K1461 PolarHBondContact OG-NZ 2.84Å | ||
| 1329 | I | 64.5 | Low | 66 | Low | 30 Ų | 30 | 58 Ų | 58 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | trans | -61.8 | 145.6 | 157.6 | -56.6 | 162 | 0 | 0 | 0 | 106.8 | L1315 T1331 L1333 A1334 W1337 I1427 F1430 | L1315-I1329 HydrophobicContact CD2-CD1 3.35Å; L1315-I1329 HydrophobicContact CD2-CG1 4.16Å; I1329-T1331 PolarHBondContact O-N 2.9Å; I1329-L1333 HydrophobicContact CG2-CB 4.5Å; I1329-L1333 HydrophobicContact CG2-CD2 4.4Å; I1329-A1334 HydrophobicContact CG2-CB 4.24Å; I1329-W1337 HydrophobicContact CD1-CZ3 4.36Å; I1329-W1337 HydrophobicContact CG2-CE3 4.49Å; I1329-W1337 HydrophobicContact CG2-CH2 4.28Å; I1329-W1337 HydrophobicContact CG2-CZ3 3.77Å; I1329-I1427 HydrophobicContact CD1-CG2 3.75Å; I1329-I1427 WeakPolarHBondContact CD1-O 3.46Å; I1329-F1430 HydrophobicContact CD1-CE1 4.34Å; I1329-F1430 HydrophobicContact CG1-CD1 4.41Å; I1329-F1430 HydrophobicContact CG1-CE1 3.72Å; I1329-F1430 HydrophobicContact CG1-CZ 3.91Å | ||
| 1330 | D | 76.1 | Confident | 67.6 | Low | 93 Ų | 93 | 55.2 Ų | 55.2 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | trans | -58.9 | 134.5 | 173.2 | 170.8 | 64.6 | 0 | 0 | 0 | 111 | Q1332 L1333 A1334 | D1330-Q1332 VanDerWaalsContact C-N 3.29Å; D1330-Q1332 PolarHBondContact O-N 2.86Å; D1330-Q1332 WeakPolarHBondContact OD2-CA 3.43Å; D1330-Q1332 WeakPolarHBondContact OD2-CB 3.33Å; D1330-Q1332 PolarHBondContact OD2-N 2.89Å; D1330-Q1332 VanDerWaalsContact OD2-N 3.1Å; D1330-L1333 HydrophobicContact CB-CB 3.91Å; D1330-L1333 PolarHBondContact O-N 3.47Å; D1330-L1333 PolarHBondContact OD2-N 2.84Å; D1330-A1334 PolarHBondContact O-N 2.78Å | ||
| 1331 | T | 77.6 | Confident | 70 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | -174.8 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | I1329 I1335 P1463 | I1329-T1331 PolarHBondContact O-N 2.9Å; T1331-I1335 HydrophobicContact CG2-CD1 4.41Å; T1331-I1335 WeakPolarHBondContact O-CG1 3.1Å; T1331-I1335 PolarHBondContact O-N 2.98Å; T1331-I1335 VanDerWaalsContact O-N 3.15Å; T1331-P1463 HydrophobicContact CG2-CB 3.79Å; T1331-P1463 HydrophobicContact CG2-CG 3.75Å |
| 1332 | Q | 83.1 | Confident | 72.5 | Confident | 75 Ų | 75 | 47.2 Ų | 47.2 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.9 | -38.3 | -179.9 | -169.9 | 59.2 | 45.5 | 0 | 0 | 111.2 | D1330 A1334 I1335 N1336 | D1330-Q1332 VanDerWaalsContact C-N 3.29Å; D1330-Q1332 PolarHBondContact O-N 2.86Å; D1330-Q1332 WeakPolarHBondContact OD2-CA 3.43Å; D1330-Q1332 WeakPolarHBondContact OD2-CB 3.33Å; D1330-Q1332 PolarHBondContact OD2-N 2.89Å; D1330-Q1332 VanDerWaalsContact OD2-N 3.1Å; Q1332-A1334 VanDerWaalsContact C-N 3.33Å; Q1332-A1334 PolarHBondContact O-N 2.65Å; Q1332-I1335 PolarHBondContact O-N 2.73Å; Q1332-N1336 PolarHBondContact NE2-OD1 2.91Å; Q1332-N1336 VanDerWaalsContact O-CB 3.3Å; Q1332-N1336 WeakPolarHBondContact O-CB 3.49Å; Q1332-N1336 PolarHBondContact O-N 3.1Å; Q1332-N1336 PolarHBondContact O-ND2 3.18Å; Q1332-N1336 PolarHBondContact O-OD1 3.03Å |
| 1333 | L | 87.7 | Confident | 75.4 | Confident | 34 Ų | 34 | 43.9 Ų | 43.9 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 173.8 | -175.3 | 60.2 | 0 | 0 | 0 | 112.2 | I1329 D1330 N1336 W1337 L1369 | I1329-L1333 HydrophobicContact CG2-CB 4.5Å; I1329-L1333 HydrophobicContact CG2-CD2 4.4Å; D1330-L1333 HydrophobicContact CB-CB 3.91Å; D1330-L1333 PolarHBondContact O-N 3.47Å; D1330-L1333 PolarHBondContact OD2-N 2.84Å; L1333-N1336 PolarHBondContact O-N 3.25Å; L1333-W1337 HydrophobicContact CD1-CD2 4.36Å; L1333-W1337 HydrophobicContact CD1-CZ2 3.88Å; L1333-W1337 HydrophobicContact CD2-CH2 3.81Å; L1333-W1337 HydrophobicContact CD2-CZ2 3.67Å; L1333-W1337 HydrophobicContact CG-CD2 4.18Å; L1333-W1337 HydrophobicContact CG-CE3 4.46Å; L1333-W1337 HydrophobicContact CG-CH2 4Å; L1333-W1337 HydrophobicContact CG-CZ2 3.68Å; L1333-W1337 HydrophobicContact CG-CZ3 4.38Å; L1333-W1337 PolarHBondContact O-N 3.44Å; L1333-L1369 HydrophobicContact CD1-CB 4.16Å; L1333-L1369 HydrophobicContact CD1-CD1 4.46Å; L1333-L1369 HydrophobicContact CD2-CD1 4.24Å |
| 1334 | A | 88.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1329 D1330 Q1332 A1338 I1427 L1462 L1466 | I1329-A1334 HydrophobicContact CG2-CB 4.24Å; D1330-A1334 PolarHBondContact O-N 2.78Å; Q1332-A1334 VanDerWaalsContact C-N 3.33Å; Q1332-A1334 PolarHBondContact O-N 2.65Å; A1334-A1338 WeakPolarHBondContact O-CB 3.24Å; A1334-A1338 PolarHBondContact O-N 2.95Å; A1334-I1427 HydrophobicContact CB-CG2 4.31Å; A1334-L1462 HydrophobicContact CB-CD2 3.84Å; A1334-L1466 HydrophobicContact CB-CD1 4.14Å |
| 1335 | I | 89.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 172.5 | -68.9 | 165 | 0 | 0 | 0 | 110.7 | T1331 Q1332 W1337 A1338 I1339 P1463 L1466 F1494 T1495 | T1331-I1335 HydrophobicContact CG2-CD1 4.41Å; T1331-I1335 WeakPolarHBondContact O-CG1 3.1Å; T1331-I1335 PolarHBondContact O-N 2.98Å; T1331-I1335 VanDerWaalsContact O-N 3.15Å; Q1332-I1335 PolarHBondContact O-N 2.73Å; I1335-W1337 PolarHBondContact O-N 2.86Å; I1335-A1338 WeakPolarHBondContact O-CB 3.47Å; I1335-A1338 PolarHBondContact O-N 3.32Å; I1335-I1339 HydrophobicContact CG2-CD1 3.74Å; I1335-I1339 HydrophobicContact CG2-CG1 4.39Å; I1335-I1339 WeakPolarHBondContact O-CG1 3.45Å; I1335-I1339 PolarHBondContact O-N 2.98Å; I1335-P1463 HydrophobicContact CD1-CB 4.37Å; I1335-P1463 HydrophobicContact CD1-CG 3.81Å; I1335-P1463 HydrophobicContact CG1-CG 3.78Å; I1335-L1466 HydrophobicContact CG1-CD1 4.24Å; I1335-F1494 HydrophobicContact CD1-CD1 4.06Å; I1335-F1494 HydrophobicContact CD1-CE1 3.7Å; I1335-T1495 HydrophobicContact CG2-CG2 3.74Å |
| 1336 | N | 91.5 | Very high | 83.7 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 32% | 0.316 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61 | -45.7 | 179.9 | -70.2 | -12.3 | 0 | 0 | 0 | 111.1 | Q1332 L1333 I1339 Q1340 | Q1332-N1336 PolarHBondContact NE2-OD1 2.91Å; Q1332-N1336 VanDerWaalsContact O-CB 3.3Å; Q1332-N1336 WeakPolarHBondContact O-CB 3.49Å; Q1332-N1336 PolarHBondContact O-N 3.1Å; Q1332-N1336 PolarHBondContact O-ND2 3.18Å; Q1332-N1336 PolarHBondContact O-OD1 3.03Å; L1333-N1336 PolarHBondContact O-N 3.25Å; N1336-I1339 PolarHBondContact O-N 3.4Å; N1336-Q1340 WeakPolarHBondContact O-CB 3.17Å; N1336-Q1340 WeakPolarHBondContact O-CG 3.06Å; N1336-Q1340 PolarHBondContact O-N 3.11Å |
| 1337 | W | 94.5 | Very high | 86.2 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 174.3 | -68.6 | -24.5 | 0 | 0 | 0 | 112.6 | L1311 Y1314 L1315 I1329 L1333 I1335 I1339 Q1340 L1341 L1369 V1371 I1427 | L1311-W1337 HydrophobicContact CD1-CD2 4.22Å; L1311-W1337 HydrophobicContact CD1-CE3 4.03Å; L1311-W1337 HydrophobicContact CD1-CH2 3.92Å; L1311-W1337 HydrophobicContact CD1-CZ2 4.1Å; L1311-W1337 HydrophobicContact CD1-CZ3 3.88Å; Y1314-W1337 HydrophobicContact CD1-CH2 4.02Å; Y1314-W1337 HydrophobicContact CD1-CZ2 4.27Å; Y1314-W1337 AromaticContact CE1-CH2 3.76Å; Y1314-W1337 HydrophobicContact CE1-CH2 3.76Å; Y1314-W1337 AromaticContact CE1-CZ2 3.92Å; Y1314-W1337 HydrophobicContact CE1-CZ2 3.92Å; L1315-W1337 HydrophobicContact CD2-CZ3 4.14Å; I1329-W1337 HydrophobicContact CD1-CZ3 4.36Å; I1329-W1337 HydrophobicContact CG2-CE3 4.49Å; I1329-W1337 HydrophobicContact CG2-CH2 4.28Å; I1329-W1337 HydrophobicContact CG2-CZ3 3.77Å; L1333-W1337 HydrophobicContact CD1-CD2 4.36Å; L1333-W1337 HydrophobicContact CD1-CZ2 3.88Å; L1333-W1337 HydrophobicContact CD2-CH2 3.81Å; L1333-W1337 HydrophobicContact CD2-CZ2 3.67Å; L1333-W1337 HydrophobicContact CG-CD2 4.18Å; L1333-W1337 HydrophobicContact CG-CE3 4.46Å; L1333-W1337 HydrophobicContact CG-CH2 4Å; L1333-W1337 HydrophobicContact CG-CZ2 3.68Å; L1333-W1337 HydrophobicContact CG-CZ3 4.38Å; L1333-W1337 PolarHBondContact O-N 3.44Å; I1335-W1337 PolarHBondContact O-N 2.86Å; W1337-I1339 VanDerWaalsContact C-N 3.32Å; W1337-I1339 PolarHBondContact O-N 2.89Å; W1337-Q1340 PolarHBondContact O-N 3.26Å; W1337-L1341 WeakPolarHBondContact O-CB 3.34Å; W1337-L1341 WeakPolarHBondContact O-CG 3.36Å; W1337-L1341 PolarHBondContact O-N 2.98Å; W1337-L1369 PolarHBondContact NE1-O 2.67Å; W1337-V1371 HydrophobicContact CB-CG1 4Å; W1337-V1371 HydrophobicContact CG-CB 4.43Å; W1337-V1371 HydrophobicContact CG-CG1 4.05Å; W1337-I1427 HydrophobicContact CB-CD1 4.33Å; W1337-I1427 HydrophobicContact CE3-CD1 4.44Å; W1337-I1427 HydrophobicContact CE3-CG2 4.43Å |
| 1338 | A | 94.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | A1334 I1335 A1342 Y1420 L1424 L1466 L1491 | A1334-A1338 WeakPolarHBondContact O-CB 3.24Å; A1334-A1338 PolarHBondContact O-N 2.95Å; I1335-A1338 WeakPolarHBondContact O-CB 3.47Å; I1335-A1338 PolarHBondContact O-N 3.32Å; A1338-A1342 WeakPolarHBondContact O-CB 3.34Å; A1338-A1342 PolarHBondContact O-N 3.39Å; A1338-Y1420 PolarHBondContact O-OH 3.35Å; A1338-L1424 HydrophobicContact CB-CD2 3.69Å; A1338-L1466 HydrophobicContact CB-CD2 3.56Å; A1338-L1491 HydrophobicContact CB-CD1 4.16Å; A1338-L1491 HydrophobicContact CB-CD2 4.32Å |
| 1339 | I | 95 | Very high | 90.4 | Very high | 29 Ų | 29 | 26.3 Ų | 26.3 | 15% | 0.149 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 175.4 | -70.1 | 169.1 | 0 | 0 | 0 | 111.5 | I1335 N1336 W1337 A1342 T1343 L1491 T1495 | I1335-I1339 HydrophobicContact CG2-CD1 3.74Å; I1335-I1339 HydrophobicContact CG2-CG1 4.39Å; I1335-I1339 WeakPolarHBondContact O-CG1 3.45Å; I1335-I1339 PolarHBondContact O-N 2.98Å; N1336-I1339 PolarHBondContact O-N 3.4Å; W1337-I1339 VanDerWaalsContact C-N 3.32Å; W1337-I1339 PolarHBondContact O-N 2.89Å; I1339-A1342 PolarHBondContact O-N 3.25Å; I1339-T1343 WeakPolarHBondContact O-CB 3.27Å; I1339-T1343 PolarHBondContact O-N 2.95Å; I1339-T1343 PolarHBondContact O-OG1 2.84Å; I1339-L1491 HydrophobicContact CD1-CB 4.25Å; I1339-L1491 HydrophobicContact CG1-CB 3.68Å; I1339-L1491 HydrophobicContact CG1-CD1 3.92Å; I1339-L1491 HydrophobicContact CG1-CG 4.27Å; I1339-T1495 HydrophobicContact CD1-CG2 3.82Å |
| 1340 | Q | 96 | Very high | 91.7 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 13% | 0.131 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -49.6 | -178.4 | -70.7 | 167.2 | 12.4 | 0 | 0 | 110.8 | Y1283 N1336 W1337 T1343 G1344 V1371 | Y1283-Q1340 VanDerWaalsContact CB-O 3.25Å; Y1283-Q1340 WeakPolarHBondContact CB-O 3.04Å; Y1283-Q1340 HydrophobicContact CD1-CB 3.7Å; Y1283-Q1340 HydrophobicContact CD1-CG 3.77Å; Y1283-Q1340 HydrophobicContact CE1-CB 4.01Å; Y1283-Q1340 HydrophobicContact CE1-CG 3.53Å; Y1283-Q1340 HydrophobicContact CG-CB 4.15Å; N1336-Q1340 WeakPolarHBondContact O-CB 3.17Å; N1336-Q1340 WeakPolarHBondContact O-CG 3.06Å; N1336-Q1340 PolarHBondContact O-N 3.11Å; W1337-Q1340 PolarHBondContact O-N 3.26Å; Q1340-T1343 PolarHBondContact O-N 3.18Å; Q1340-G1344 PolarHBondContact O-N 2.68Å; Q1340-V1371 HydrophobicContact CB-CG1 3.84Å |
| 1341 | L | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.2 | -66.7 | 176.5 | 0 | 0 | 0 | 112.3 | W1337 T1343 G1344 M1345 C1363 V1371 I1373 Y1420 V1423 | W1337-L1341 WeakPolarHBondContact O-CB 3.34Å; W1337-L1341 WeakPolarHBondContact O-CG 3.36Å; W1337-L1341 PolarHBondContact O-N 2.98Å; L1341-T1343 VanDerWaalsContact C-N 3.25Å; L1341-T1343 PolarHBondContact O-N 3.04Å; L1341-G1344 PolarHBondContact O-N 3.16Å; L1341-M1345 WeakPolarHBondContact O-CB 3.46Å; L1341-M1345 WeakPolarHBondContact O-CG 3.33Å; L1341-M1345 PolarHBondContact O-N 2.88Å; L1341-C1363 HydrophobicContact CD2-CB 4.1Å; L1341-V1371 HydrophobicContact CD1-CG1 4.39Å; L1341-V1371 HydrophobicContact CD2-CG1 3.84Å; L1341-V1371 HydrophobicContact CD2-CG2 3.95Å; L1341-V1371 HydrophobicContact CG-CG1 3.71Å; L1341-V1371 HydrophobicContact CG-CG2 4.49Å; L1341-I1373 HydrophobicContact CD2-CG1 3.79Å; L1341-Y1420 HydrophobicContact CB-CD2 4.32Å; L1341-Y1420 HydrophobicContact CB-CE2 3.94Å; L1341-V1423 HydrophobicContact CD1-CG1 3.71Å |
| 1342 | A | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -32.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1338 I1339 N1346 Y1420 I1487 L1488 L1491 | A1338-A1342 WeakPolarHBondContact O-CB 3.34Å; A1338-A1342 PolarHBondContact O-N 3.39Å; I1339-A1342 PolarHBondContact O-N 3.25Å; A1342-N1346 VanDerWaalsContact O-CB 3.22Å; A1342-N1346 WeakPolarHBondContact O-CB 2.97Å; A1342-N1346 PolarHBondContact O-N 3.04Å; A1342-Y1420 HydrophobicContact CB-CE2 3.98Å; A1342-I1487 HydrophobicContact CB-CG2 3.97Å; A1342-L1488 HydrophobicContact CB-CD2 3.7Å; A1342-L1488 HydrophobicContact CB-CG 3.97Å; A1342-L1491 HydrophobicContact CB-CD1 4.34Å |
| 1343 | T | 96.9 | Very high | 93 | Very high | 38 Ų | 38 | 29.7 Ų | 29.7 | 23% | 0.233 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.6 | -43.8 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | Y1283 I1339 Q1340 L1341 N1346 Y1347 L1488 | Y1283-T1343 HydrophobicContact CD2-CG2 3.65Å; Y1283-T1343 HydrophobicContact CE2-CG2 3.77Å; I1339-T1343 WeakPolarHBondContact O-CB 3.27Å; I1339-T1343 PolarHBondContact O-N 2.95Å; I1339-T1343 PolarHBondContact O-OG1 2.84Å; Q1340-T1343 PolarHBondContact O-N 3.18Å; L1341-T1343 VanDerWaalsContact C-N 3.25Å; L1341-T1343 PolarHBondContact O-N 3.04Å; T1343-N1346 PolarHBondContact O-N 2.91Å; T1343-Y1347 PolarHBondContact O-N 3.45Å; T1343-Y1347 VanDerWaalsContact O-N 3.14Å; T1343-L1488 VanDerWaalsContact OG1-CD2 3.29Å; T1343-L1488 WeakPolarHBondContact OG1-CD2 3.36Å |
| 1344 | G | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1340 L1341 Y1347 L1348 | Q1340-G1344 PolarHBondContact O-N 2.68Å; L1341-G1344 PolarHBondContact O-N 3.16Å; G1344-Y1347 PolarHBondContact O-N 2.55Å; G1344-L1348 PolarHBondContact O-N 2.84Å; G1344-L1348 VanDerWaalsContact O-N 3.15Å |
| 1345 | M | 96.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.4 | -32.7 | 176.1 | -70.7 | -55.1 | -50 | 0 | 0 | 113.7 | L1341 L1348 A1349 H1355 L1358 I1373 D1416 F1484 | L1341-M1345 WeakPolarHBondContact O-CB 3.46Å; L1341-M1345 WeakPolarHBondContact O-CG 3.33Å; L1341-M1345 PolarHBondContact O-N 2.88Å; M1345-L1348 HydrophobicContact CE-CD1 4.23Å; M1345-L1348 PolarHBondContact O-N 2.88Å; M1345-L1348 HydrophobicContact SD-CD1 3.86Å; M1345-A1349 WeakPolarHBondContact O-CB 3.23Å; M1345-A1349 PolarHBondContact O-N 2.78Å; M1345-H1355 HydrophobicContact CE-CB 4.03Å; M1345-H1355 HydrophobicContact SD-CB 4.37Å; M1345-L1358 HydrophobicContact CE-CD2 4.29Å; M1345-L1358 HydrophobicContact CG-CD1 4.4Å; M1345-L1358 HydrophobicContact CG-CD2 3.74Å; M1345-L1358 HydrophobicContact SD-CD1 4Å; M1345-L1358 HydrophobicContact SD-CD2 3.79Å; M1345-L1358 HydrophobicContact SD-CG 4.37Å; M1345-I1373 HydrophobicContact CG-CD1 3.76Å; M1345-I1373 HydrophobicContact SD-CD1 3.78Å; M1345-D1416 HydrophobicContact CE-CB 3.68Å; M1345-F1484 HydrophobicContact CB-CD1 3.66Å; M1345-F1484 HydrophobicContact CB-CD2 3.87Å; M1345-F1484 HydrophobicContact CB-CE1 3.49Å; M1345-F1484 VanDerWaalsContact CB-CE1 3.49Å; M1345-F1484 HydrophobicContact CB-CE2 3.71Å; M1345-F1484 HydrophobicContact CB-CG 3.86Å; M1345-F1484 HydrophobicContact CB-CZ 3.52Å; M1345-F1484 HydrophobicContact CE-CE2 3.96Å; M1345-F1484 HydrophobicContact CE-CZ 4Å; M1345-F1484 HydrophobicContact CG-CE1 3.97Å; M1345-F1484 HydrophobicContact CG-CE2 4.44Å; M1345-F1484 HydrophobicContact CG-CZ 3.89Å |
| 1346 | N | 96.3 | Very high | 93.3 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 172.2 | -171.9 | 86.8 | 0 | 0 | 0 | 111.2 | A1342 T1343 L1348 A1349 E1350 F1484 S1485 L1488 | A1342-N1346 VanDerWaalsContact O-CB 3.22Å; A1342-N1346 WeakPolarHBondContact O-CB 2.97Å; A1342-N1346 PolarHBondContact O-N 3.04Å; T1343-N1346 PolarHBondContact O-N 2.91Å; N1346-L1348 VanDerWaalsContact C-N 3.34Å; N1346-L1348 PolarHBondContact O-N 3.32Å; N1346-A1349 PolarHBondContact O-N 2.75Å; N1346-A1349 VanDerWaalsContact O-N 3.15Å; N1346-E1350 PolarHBondContact ND2-OE1 2.89Å; N1346-E1350 PolarHBondContact ND2-OE2 2.78Å; N1346-E1350 WeakPolarHBondContact O-CG 3.41Å; N1346-E1350 PolarHBondContact O-N 2.67Å; N1346-F1484 HydrophobicContact CB-CB 3.8Å; N1346-S1485 WeakPolarHBondContact OD1-CA 3.4Å; N1346-S1485 WeakPolarHBondContact OD1-CB 3.17Å; N1346-S1485 PolarHBondContact OD1-N 3.28Å; N1346-L1488 HydrophobicContact CB-CD1 3.57Å |
| 1347 | Y | 95 | Very high | 93.3 | Very high | 53 Ų | 53 | 26.3 Ų | 26.3 | 21% | 0.208 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 175.5 | 174 | -95.5 | 0 | 0 | 0 | 112.5 | L1279 N1280 C1281 I1284 T1343 G1344 E1350 L1351 | L1279-Y1347 HydrophobicContact CD2-CE1 4.2Å; N1280-Y1347 PolarHBondContact N-OH 3.23Å; N1280-Y1347 PolarHBondContact O-OH 2.88Å; C1281-Y1347 HydrophobicContact CB-CD1 3.54Å; C1281-Y1347 HydrophobicContact CB-CD2 4.23Å; C1281-Y1347 HydrophobicContact CB-CE1 3.76Å; C1281-Y1347 HydrophobicContact CB-CE2 4.43Å; C1281-Y1347 HydrophobicContact CB-CG 3.77Å; I1284-Y1347 HydrophobicContact CD1-CD1 3.64Å; I1284-Y1347 HydrophobicContact CD1-CE1 4.02Å; T1343-Y1347 PolarHBondContact O-N 3.45Å; T1343-Y1347 VanDerWaalsContact O-N 3.14Å; G1344-Y1347 PolarHBondContact O-N 2.55Å; Y1347-E1350 PolarHBondContact O-N 3.29Å; Y1347-L1351 HydrophobicContact CD1-CD1 4.15Å; Y1347-L1351 HydrophobicContact CE1-CD1 3.53Å; Y1347-L1351 HydrophobicContact CE2-CD1 4.32Å; Y1347-L1351 WeakPolarHBondContact O-CG 3.33Å; Y1347-L1351 PolarHBondContact O-N 2.91Å; Y1347-L1351 VanDerWaalsContact O-N 3.14Å |
| 1348 | L | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.1 | -69 | 172.7 | 0 | 0 | 0 | 112.1 | L1279 I1284 G1344 M1345 N1346 L1351 H1352 I1353 F1376 | L1279-L1348 HydrophobicContact CD1-CD2 4.21Å; L1279-L1348 HydrophobicContact CD2-CD2 3.76Å; I1284-L1348 HydrophobicContact CD1-CD1 4.33Å; I1284-L1348 HydrophobicContact CD1-CD2 3.79Å; I1284-L1348 HydrophobicContact CD1-CG 3.87Å; G1344-L1348 PolarHBondContact O-N 2.84Å; G1344-L1348 VanDerWaalsContact O-N 3.15Å; M1345-L1348 HydrophobicContact CE-CD1 4.23Å; M1345-L1348 PolarHBondContact O-N 2.88Å; M1345-L1348 HydrophobicContact SD-CD1 3.86Å; N1346-L1348 VanDerWaalsContact C-N 3.34Å; N1346-L1348 PolarHBondContact O-N 3.32Å; L1348-L1351 CarbonylContact O-C 3.53Å; L1348-L1351 PolarHBondContact O-N 2.02Å; L1348-H1352 PolarHBondContact O-N 3.29Å; L1348-I1353 CarbonylContact C-O 3.56Å; L1348-I1353 HydrophobicContact CB-CB 4.4Å; L1348-I1353 HydrophobicContact CD2-CB 4.17Å; L1348-I1353 HydrophobicContact CD2-CD1 4.32Å; L1348-I1353 HydrophobicContact CD2-CG2 4.03Å; L1348-I1353 PolarHBondContact O-N 3Å; L1348-F1376 HydrophobicContact CD1-CE1 3.93Å; L1348-F1376 HydrophobicContact CD1-CZ 4.47Å; L1348-F1376 HydrophobicContact CD2-CE1 4.02Å |
| 1349 | A | 92.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 26.1 Ų | 26.1 | 21% | 0.207 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1345 N1346 L1351 H1352 T1413 F1484 | M1345-A1349 WeakPolarHBondContact O-CB 3.23Å; M1345-A1349 PolarHBondContact O-N 2.78Å; N1346-A1349 PolarHBondContact O-N 2.75Å; N1346-A1349 VanDerWaalsContact O-N 3.15Å; A1349-L1351 VanDerWaalsContact C-N 3.27Å; A1349-L1351 PolarHBondContact O-N 2.83Å; A1349-H1352 PolarHBondContact O-N 2.89Å; A1349-H1352 VanDerWaalsContact O-N 3.08Å; A1349-T1413 HydrophobicContact CB-CG2 3.84Å; A1349-F1484 HydrophobicContact CB-CD2 4.41Å |
| 1350 | E | 91.5 | Very high | 93.4 | Very high | 127 Ų | 127 | 24.8 Ų | 24.8 | 59% | 0.593 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -66.2 | -27.4 | 173.3 | -74.3 | 167.9 | 166.7 | 0 | 0 | 112.7 | N1346 Y1347 H1352 | N1346-E1350 PolarHBondContact ND2-OE1 2.89Å; N1346-E1350 PolarHBondContact ND2-OE2 2.78Å; N1346-E1350 WeakPolarHBondContact O-CG 3.41Å; N1346-E1350 PolarHBondContact O-N 2.67Å; Y1347-E1350 PolarHBondContact O-N 3.29Å; E1350-H1352 VanDerWaalsContact C-N 3.33Å |
| 1351 | L | 88.6 | Confident | 93.2 | Very high | 67 Ų | 67 | 27.5 Ų | 27.5 | 35% | 0.351 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.9 | 170.9 | -66.3 | -179.8 | 0 | 0 | 0 | 113.8 | L1279 Y1347 L1348 A1349 I1353 L1381 | L1279-L1351 HydrophobicContact CD2-CD1 3.95Å; Y1347-L1351 HydrophobicContact CD1-CD1 4.15Å; Y1347-L1351 HydrophobicContact CE1-CD1 3.53Å; Y1347-L1351 HydrophobicContact CE2-CD1 4.32Å; Y1347-L1351 WeakPolarHBondContact O-CG 3.33Å; Y1347-L1351 PolarHBondContact O-N 2.91Å; Y1347-L1351 VanDerWaalsContact O-N 3.14Å; L1348-L1351 CarbonylContact O-C 3.53Å; L1348-L1351 PolarHBondContact O-N 2.02Å; A1349-L1351 VanDerWaalsContact C-N 3.27Å; A1349-L1351 PolarHBondContact O-N 2.83Å; L1351-I1353 HydrophobicContact CB-CD1 3.87Å; L1351-I1353 HydrophobicContact CB-CG1 4Å; L1351-I1353 HydrophobicContact CD1-CD1 4.11Å; L1351-I1353 PolarHBondContact O-N 3.09Å; L1351-L1381 VanDerWaalsContact O-CD1 3.23Å; L1351-L1381 WeakPolarHBondContact O-CD1 3.49Å |
| 1352 | H | 87.7 | Confident | 93.1 | Very high | 125 Ų | 125 | 28.1 Ų | 28.1 | 58% | 0.579 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 31.5 | -172.5 | -56.6 | -81.1 | 0 | 0 | 0 | 114.2 | L1348 A1349 E1350 V1382 | L1348-H1352 PolarHBondContact O-N 3.29Å; A1349-H1352 PolarHBondContact O-N 2.89Å; A1349-H1352 VanDerWaalsContact O-N 3.08Å; E1350-H1352 VanDerWaalsContact C-N 3.33Å; H1352-V1382 PolarHBondContact O-N 3.2Å |
| 1353 | I | 87.6 | Confident | 93 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.3 | 175.8 | -60.5 | 172.2 | 0 | 0 | 0 | 109.3 | L1279 L1348 L1351 A1379 L1381 | L1279-I1353 HydrophobicContact CD2-CD1 3.73Å; L1348-I1353 CarbonylContact C-O 3.56Å; L1348-I1353 HydrophobicContact CB-CB 4.4Å; L1348-I1353 HydrophobicContact CD2-CB 4.17Å; L1348-I1353 HydrophobicContact CD2-CD1 4.32Å; L1348-I1353 HydrophobicContact CD2-CG2 4.03Å; L1348-I1353 PolarHBondContact O-N 3Å; L1351-I1353 HydrophobicContact CB-CD1 3.87Å; L1351-I1353 HydrophobicContact CB-CG1 4Å; L1351-I1353 HydrophobicContact CD1-CD1 4.11Å; L1351-I1353 PolarHBondContact O-N 3.09Å; I1353-A1379 HydrophobicContact CG2-CB 4.34Å; I1353-L1381 HydrophobicContact CG1-CD1 3.94Å |
| 1354 | I | 90.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.5 | 172.4 | -47 | 170.3 | 0 | 0 | 0 | 107.9 | R1356 A1379 R1380 V1382 F1411 D1416 | I1354-R1356 HydrophobicContact CB-CG 3.99Å; I1354-R1356 HydrophobicContact CG2-CG 3.53Å; I1354-A1379 CarbonylContact O-C 3.49Å; I1354-A1379 WeakPolarHBondContact O-CA 3.22Å; I1354-R1380 PolarHBondContact N-O 3.34Å; I1354-R1380 PolarHBondContact O-N 3.19Å; I1354-V1382 HydrophobicContact CD1-CG2 3.5Å; I1354-V1382 HydrophobicContact CG1-CG2 3.94Å; I1354-F1411 HydrophobicContact CD1-CB 4.36Å; I1354-F1411 WeakPolarHBondContact CD1-O 3.31Å; I1354-F1411 HydrophobicContact CG2-CB 4.34Å; I1354-D1416 WeakPolarHBondContact CA-OD2 3.24Å; I1354-D1416 WeakPolarHBondContact CG2-OD2 3.11Å |
| 1355 | H | 91.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -76.9 | -41.4 | -176.9 | -174.1 | -15 | 0 | 0 | 0 | 112.3 | M1345 D1357 I1373 A1374 D1375 D1416 | M1345-H1355 HydrophobicContact CE-CB 4.03Å; M1345-H1355 HydrophobicContact SD-CB 4.37Å; H1355-D1357 PolarHBondContact O-N 3.27Å; H1355-I1373 WeakPolarHBondContact CD2-CG2 3.4Å; H1355-I1373 WeakPolarHBondContact NE2-CG2 3.45Å; H1355-A1374 PolarHBondContact CE1-O 2.84Å; H1355-A1374 PolarHBondContact NE2-O 2.81Å; H1355-D1375 PolarHBondContact CE1-O 2.85Å; H1355-D1416 PolarHBondContact N-OD2 3.14Å | ||
| 1356 | R | 90.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 66.3 | 0.1 | 173 | -50.6 | 175.8 | 50.9 | -132.5 | 2.5 | 116.3 | I1354 L1378 Y1388 F1411 D1416 | I1354-R1356 HydrophobicContact CB-CG 3.99Å; I1354-R1356 HydrophobicContact CG2-CG 3.53Å; R1356-L1378 WeakPolarHBondContact CD-O 3.44Å; R1356-L1378 PolarHBondContact NH1-O 2.85Å; R1356-Y1388 VanDerWaalsContact CZ-CE1 3.49Å; R1356-F1411 HydrophobicContact CB-CD1 3.66Å; R1356-F1411 HydrophobicContact CB-CE1 3.82Å; R1356-F1411 HydrophobicContact CG-CB 4.1Å; R1356-F1411 HydrophobicContact CG-CD1 3.47Å; R1356-F1411 VanDerWaalsContact CG-CD1 3.47Å; R1356-F1411 HydrophobicContact CG-CE1 4.12Å; R1356-F1411 HydrophobicContact CG-CG 3.96Å; R1356-F1411 VanDerWaalsContact NE-CD1 3.25Å; R1356-F1411 VanDerWaalsContact NE-CG 3.28Å; R1356-F1411 VanDerWaalsContact NH2-CE2 3.25Å; R1356-F1411 VanDerWaalsContact NH2-CZ 3.31Å; R1356-D1416 PolarHBondContact N-OD1 3.38Å |
| 1357 | D | 91.4 | Very high | 92 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | trans | -150.1 | 49.5 | 171.7 | -166.2 | 21.4 | 0 | 0 | 0 | 112.4 | H1355 A1359 R1361 N1362 L1378 P1397 | H1355-D1357 PolarHBondContact O-N 3.27Å; D1357-A1359 PolarHBondContact O-N 3.44Å; D1357-R1361 IonicContact OD1-CZ 3.27Å; D1357-R1361 IonicContact OD1-NH1 2.98Å; D1357-R1361 IonicContact OD1-NH2 2.7Å; D1357-R1361 PolarHBondContact OD1-NH2 3.15Å; D1357-R1361 IonicContact OD2-CZ 2.67Å; D1357-R1361 IonicContact OD2-NH2 2.64Å; D1357-R1361 PolarHBondContact OD2-NH2 3.11Å; D1357-N1362 PolarHBondContact O-ND2 3.19Å; D1357-N1362 PolarHBondContact OD2-ND2 3.12Å; D1357-L1378 HydrophobicContact CB-CD1 3.95Å; D1357-P1397 HydrophobicContact CB-CG 4.15Å; D1357-P1397 WeakPolarHBondContact OD1-CB 3.29Å; D1357-P1397 VanDerWaalsContact OD1-CG 3.24Å; D1357-P1397 WeakPolarHBondContact OD1-CG 3.21Å | ||
| 1358 | L | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -76.2 | 108.9 | 174.2 | 179.1 | 65.8 | 0 | 0 | 0 | 110.1 | M1345 Y1420 V1423 | M1345-L1358 HydrophobicContact CE-CD2 4.29Å; M1345-L1358 HydrophobicContact CG-CD1 4.4Å; M1345-L1358 HydrophobicContact CG-CD2 3.74Å; M1345-L1358 HydrophobicContact SD-CD1 4Å; M1345-L1358 HydrophobicContact SD-CD2 3.79Å; M1345-L1358 HydrophobicContact SD-CG 4.37Å; L1358-Y1420 HydrophobicContact CD2-CD2 4.47Å; L1358-V1423 HydrophobicContact CG-CG2 4.15Å | ||
| 1359 | A | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -147.6 | 155.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D1357 R1361 N1362 C1363 W1400 | D1357-A1359 PolarHBondContact O-N 3.44Å; A1359-R1361 HydrophobicContact CB-CG 3.87Å; A1359-R1361 PolarHBondContact O-N 3.49Å; A1359-N1362 WeakPolarHBondContact O-CA 3.42Å; A1359-N1362 PolarHBondContact O-N 3.28Å; A1359-C1363 PolarHBondContact O-N 3.06Å; A1359-C1363 PolarHBondContact O-SG 2.8Å; A1359-C1363 VanDerWaalsContact O-SG 3.33Å; A1359-W1400 HydrophobicContact CB-CD2 4.07Å; A1359-W1400 HydrophobicContact CB-CG 4.03Å; A1359-W1400 HydrophobicContact CB-CZ2 4.36Å | ||
| 1360 | A | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | L1311 A1312 V1423 E1426 | L1311-A1360 WeakPolarHBondContact CB-O 3.44Å; L1311-A1360 HydrophobicContact CD2-CB 4.47Å; L1311-A1360 PolarHBondContact N-O 2.68Å; A1312-A1360 HydrophobicContact CB-CB 4Å; A1312-A1360 PolarHBondContact N-O 3.37Å; A1360-V1423 HydrophobicContact CB-CG1 4.34Å; A1360-E1426 HydrophobicContact CB-CB 3.79Å; A1360-E1426 HydrophobicContact CB-CG 4.28Å; A1360-E1426 WeakPolarHBondContact CB-OE2 3.35Å; A1360-E1426 PolarHBondContact N-OE2 2.94Å |
| 1361 | R | 93.3 | Very high | 91.7 | Very high | 85 Ų | 85 | 30 Ų | 30 | 32% | 0.321 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -23.7 | 169.9 | 62.7 | 170.6 | -161.2 | -78.8 | -0.8 | 114.1 | D1310 A1312 D1357 A1359 | D1310-R1361 VanDerWaalsContact CB-O 3.27Å; D1310-R1361 WeakPolarHBondContact CB-O 3.49Å; A1312-R1361 HydrophobicContact CB-CB 4.43Å; D1357-R1361 IonicContact OD1-CZ 3.27Å; D1357-R1361 IonicContact OD1-NH1 2.98Å; D1357-R1361 IonicContact OD1-NH2 2.7Å; D1357-R1361 PolarHBondContact OD1-NH2 3.15Å; D1357-R1361 IonicContact OD2-CZ 2.67Å; D1357-R1361 IonicContact OD2-NH2 2.64Å; D1357-R1361 PolarHBondContact OD2-NH2 3.11Å; A1359-R1361 HydrophobicContact CB-CG 3.87Å; A1359-R1361 PolarHBondContact O-N 3.49Å |
| 1362 | N | 93.6 | Very high | 92 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -101.4 | 3.4 | 179 | -65 | -3 | 0 | 0 | 0 | 111.3 | D1357 A1359 A1374 | D1357-N1362 PolarHBondContact O-ND2 3.19Å; D1357-N1362 PolarHBondContact OD2-ND2 3.12Å; A1359-N1362 WeakPolarHBondContact O-CA 3.42Å; A1359-N1362 PolarHBondContact O-N 3.28Å; N1362-A1374 WeakPolarHBondContact O-CB 3.49Å; N1362-A1374 PolarHBondContact O-N 3.31Å |
| 1363 | C | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115 | 169.7 | -57.4 | 0 | 0 | 0 | 0 | 108.5 | D1310 L1311 L1341 A1359 V1371 K1372 | D1310-C1363 CarbonylContact C-O 3.52Å; D1310-C1363 WeakPolarHBondContact CA-O 3.49Å; L1311-C1363 HydrophobicContact CB-CB 4.1Å; L1311-C1363 VanDerWaalsContact CB-O 3.31Å; L1311-C1363 WeakPolarHBondContact CB-O 3.36Å; L1311-C1363 HydrophobicContact CD2-CB 4.31Å; L1311-C1363 PolarHBondContact N-O 3.21Å; L1341-C1363 HydrophobicContact CD2-CB 4.1Å; A1359-C1363 PolarHBondContact O-N 3.06Å; A1359-C1363 PolarHBondContact O-SG 2.8Å; A1359-C1363 VanDerWaalsContact O-SG 3.33Å; C1363-V1371 HydrophobicContact CB-CG2 3.66Å; C1363-K1372 CarbonylContact C-O 3.54Å; C1363-K1372 WeakPolarHBondContact CA-O 3.35Å |
| 1364 | L | 94.8 | Very high | 92.6 | Very high | 43 Ų | 43 | 21.9 Ų | 21.9 | 23% | 0.225 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 150.8 | -178.3 | -55.3 | -171.1 | 0 | 0 | 0 | 111.9 | V1285 M1306 G1309 D1310 V1371 K1372 A1374 | V1285-L1364 HydrophobicContact CG2-CB 4.43Å; V1285-L1364 HydrophobicContact CG2-CD1 4.17Å; V1285-L1364 HydrophobicContact CG2-CG 4.48Å; M1306-L1364 HydrophobicContact CB-CB 3.69Å; M1306-L1364 HydrophobicContact CB-CD1 4.09Å; M1306-L1364 VanDerWaalsContact CE-C 3.41Å; M1306-L1364 HydrophobicContact CE-CB 3.87Å; M1306-L1364 WeakPolarHBondContact CE-O 3.34Å; M1306-L1364 HydrophobicContact CG-CB 3.69Å; M1306-L1364 HydrophobicContact CG-CD1 3.94Å; M1306-L1364 HydrophobicContact CG-CG 4.48Å; G1309-L1364 CarbonylContact O-C 3.57Å; G1309-L1364 WeakPolarHBondContact O-CA 3.46Å; D1310-L1364 HydrophobicContact CB-CD2 3.85Å; L1364-V1371 CarbonylContact O-C 3.18Å; L1364-V1371 VanDerWaalsContact O-CA 3.29Å; L1364-V1371 WeakPolarHBondContact O-CA 3.39Å; L1364-V1371 WeakPolarHBondContact O-CG2 3.03Å; L1364-K1372 PolarHBondContact N-O 3.13Å; L1364-K1372 PolarHBondContact O-N 3.4Å; L1364-A1374 HydrophobicContact CD1-CB 4.01Å; L1364-A1374 HydrophobicContact CG-CB 3.9Å |
| 1365 | V | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.4 | -175.2 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | M1306 A1307 F1308 G1309 L1311 L1369 T1370 V1371 | M1306-V1365 CarbonylContact C-O 3.33Å; A1307-V1365 PolarHBondContact N-O 2.92Å; F1308-V1365 HydrophobicContact CB-CB 4.17Å; F1308-V1365 HydrophobicContact CB-CG1 4.35Å; F1308-V1365 HydrophobicContact CD2-CG1 4.18Å; F1308-V1365 PolarHBondContact N-O 2.97Å; G1309-V1365 PolarHBondContact O-N 3.24Å; L1311-V1365 HydrophobicContact CB-CG2 3.85Å; L1311-V1365 HydrophobicContact CD1-CG2 3.82Å; L1311-V1365 HydrophobicContact CG-CG2 4.44Å; V1365-L1369 HydrophobicContact CG1-CD2 4.23Å; V1365-T1370 WeakPolarHBondContact CA-O 3.48Å; V1365-V1371 HydrophobicContact CG2-CG2 4.37Å |
| 1366 | N | 90.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | trans | -89 | 175 | -179.5 | 77.8 | 10.5 | 0 | 0 | 0 | 113.1 | M1306 F1308 M1368 L1369 T1370 | M1306-N1366 HydrophobicContact CE-CB 3.85Å; M1306-N1366 HydrophobicContact SD-CB 3.87Å; F1308-N1366 WeakPolarHBondContact CD2-O 3.27Å; F1308-N1366 WeakPolarHBondContact CE2-O 3.28Å; N1366-M1368 PolarHBondContact O-N 2.93Å; N1366-M1368 WeakPolarHBondContact OD1-CA 3.49Å; N1366-M1368 WeakPolarHBondContact OD1-CB 3.39Å; N1366-M1368 PolarHBondContact OD1-N 2.55Å; N1366-L1369 PolarHBondContact O-N 3.23Å; N1366-L1369 PolarHBondContact OD1-N 2.78Å; N1366-T1370 PolarHBondContact N-O 3.46Å; N1366-T1370 VanDerWaalsContact ND2-CB 3.32Å; N1366-T1370 WeakPolarHBondContact ND2-CB 3.44Å; N1366-T1370 PolarHBondContact ND2-OG1 3.36Å; N1366-T1370 VanDerWaalsContact ND2-OG1 3.14Å; N1366-T1370 WeakPolarHBondContact OD1-CB 3.37Å; N1366-T1370 PolarHBondContact OD1-N 2.98Å; N1366-T1370 PolarHBondContact OD1-O 2.92Å; N1366-T1370 PolarHBondContact OD1-OG1 2.97Å | ||
| 1367 | S | 86.1 | Confident | 90.8 | Very high | 56 Ų | 56 | 24.7 Ų | 24.7 | 39% | 0.392 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -5.8 | 179.8 | 59 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1368 | M | 87 | Confident | 89.6 | Confident | 121 Ų | 121 | 26.4 Ų | 26.4 | 60% | 0.596 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 10.7 | 175.3 | -53.9 | -168.4 | -62.6 | 0 | 0 | 112.5 | N1366 T1370 | N1366-M1368 PolarHBondContact O-N 2.93Å; N1366-M1368 WeakPolarHBondContact OD1-CA 3.49Å; N1366-M1368 WeakPolarHBondContact OD1-CB 3.39Å; N1366-M1368 PolarHBondContact OD1-N 2.55Å; M1368-T1370 PolarHBondContact O-N 2.79Å |
| 1369 | L | 88.6 | Confident | 88.6 | Confident | 54 Ų | 54 | 26.4 Ų | 26.4 | 28% | 0.283 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 60.3 | 17.4 | -173.8 | -53.9 | 179 | 0 | 0 | 0 | 114.7 | F1308 Y1314 L1333 W1337 V1365 N1366 | F1308-L1369 HydrophobicContact CD2-CD2 3.79Å; F1308-L1369 HydrophobicContact CE2-CD2 3.63Å; Y1314-L1369 HydrophobicContact CE1-CD2 4.38Å; Y1314-L1369 HydrophobicContact CE2-CD2 4.15Å; Y1314-L1369 VanDerWaalsContact OH-CD2 3.29Å; Y1314-L1369 WeakPolarHBondContact OH-CD2 3.27Å; L1333-L1369 HydrophobicContact CD1-CB 4.16Å; L1333-L1369 HydrophobicContact CD1-CD1 4.46Å; L1333-L1369 HydrophobicContact CD2-CD1 4.24Å; W1337-L1369 PolarHBondContact NE1-O 2.67Å; V1365-L1369 HydrophobicContact CG1-CD2 4.23Å; N1366-L1369 PolarHBondContact O-N 3.23Å; N1366-L1369 PolarHBondContact OD1-N 2.78Å |
| 1370 | T | 92.7 | Very high | 87.8 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | trans | -70.7 | 133.3 | 165 | -32.5 | 0 | 0 | 0 | 0 | 108.8 | Y1283 V1365 N1366 M1368 | Y1283-T1370 HydrophobicContact CD1-CG2 4.03Å; Y1283-T1370 HydrophobicContact CE1-CG2 3.88Å; V1365-T1370 WeakPolarHBondContact CA-O 3.48Å; N1366-T1370 PolarHBondContact N-O 3.46Å; N1366-T1370 VanDerWaalsContact ND2-CB 3.32Å; N1366-T1370 WeakPolarHBondContact ND2-CB 3.44Å; N1366-T1370 PolarHBondContact ND2-OG1 3.36Å; N1366-T1370 VanDerWaalsContact ND2-OG1 3.14Å; N1366-T1370 WeakPolarHBondContact OD1-CB 3.37Å; N1366-T1370 PolarHBondContact OD1-N 2.98Å; N1366-T1370 PolarHBondContact OD1-O 2.92Å; N1366-T1370 PolarHBondContact OD1-OG1 2.97Å; M1368-T1370 PolarHBondContact O-N 2.79Å | ||
| 1371 | V | 95.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 142.3 | 170.3 | 70.2 | 0 | 0 | 0 | 0 | 110.5 | L1311 W1337 Q1340 L1341 C1363 L1364 V1365 | L1311-V1371 HydrophobicContact CD2-CG2 4.25Å; W1337-V1371 HydrophobicContact CB-CG1 4Å; W1337-V1371 HydrophobicContact CG-CB 4.43Å; W1337-V1371 HydrophobicContact CG-CG1 4.05Å; Q1340-V1371 HydrophobicContact CB-CG1 3.84Å; L1341-V1371 HydrophobicContact CD1-CG1 4.39Å; L1341-V1371 HydrophobicContact CD2-CG1 3.84Å; L1341-V1371 HydrophobicContact CD2-CG2 3.95Å; L1341-V1371 HydrophobicContact CG-CG1 3.71Å; L1341-V1371 HydrophobicContact CG-CG2 4.49Å; C1363-V1371 HydrophobicContact CB-CG2 3.66Å; L1364-V1371 CarbonylContact O-C 3.18Å; L1364-V1371 VanDerWaalsContact O-CA 3.29Å; L1364-V1371 WeakPolarHBondContact O-CA 3.39Å; L1364-V1371 WeakPolarHBondContact O-CG2 3.03Å; V1365-V1371 HydrophobicContact CG2-CG2 4.37Å |
| 1372 | K | 96.2 | Very high | 85.9 | Confident | 21 Ų | 21 | 29.7 Ų | 29.7 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151.3 | 175.2 | -59.6 | -173.4 | 168.2 | -148.9 | 0 | 111.4 | M1282 Y1283 V1285 E1304 M1306 C1363 L1364 | M1282-K1372 WeakPolarHBondContact O-CE 3.28Å; M1282-K1372 PolarHBondContact O-NZ 2.88Å; Y1283-K1372 CarbonylContact O-C 3.58Å; Y1283-K1372 VanDerWaalsContact O-CA 3.32Å; Y1283-K1372 WeakPolarHBondContact O-CA 3.32Å; V1285-K1372 HydrophobicContact CG2-CB 3.78Å; V1285-K1372 HydrophobicContact CG2-CD 4.47Å; E1304-K1372 VanDerWaalsContact OE1-CD 3.26Å; E1304-K1372 WeakPolarHBondContact OE1-CD 3.24Å; E1304-K1372 WeakPolarHBondContact OE1-CE 3.5Å; E1304-K1372 IonicContact OE1-NZ 2.91Å; E1304-K1372 PolarHBondContact OE1-NZ 2.92Å; E1304-K1372 WeakPolarHBondContact OE2-CE 3.34Å; E1304-K1372 IonicContact OE2-NZ 3.61Å; E1304-K1372 PolarHBondContact OE2-NZ 3.16Å; M1306-K1372 HydrophobicContact CE-CB 3.8Å; M1306-K1372 HydrophobicContact CE-CD 3.9Å; M1306-K1372 HydrophobicContact CE-CG 3.74Å; M1306-K1372 HydrophobicContact SD-CD 4.01Å; C1363-K1372 CarbonylContact C-O 3.54Å; C1363-K1372 WeakPolarHBondContact CA-O 3.35Å; L1364-K1372 PolarHBondContact N-O 3.13Å; L1364-K1372 PolarHBondContact O-N 3.4Å |
| 1373 | I | 95.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 139.8 | -179.8 | -60.3 | 160.8 | 0 | 0 | 0 | 110.4 | Y1283 I1284 V1285 L1341 M1345 H1355 F1376 | Y1283-I1373 PolarHBondContact O-N 2.83Å; I1284-I1373 HydrophobicContact CG1-CB 4.48Å; V1285-I1373 WeakPolarHBondContact CG2-O 3.33Å; V1285-I1373 PolarHBondContact N-O 3.4Å; L1341-I1373 HydrophobicContact CD2-CG1 3.79Å; M1345-I1373 HydrophobicContact CG-CD1 3.76Å; M1345-I1373 HydrophobicContact SD-CD1 3.78Å; H1355-I1373 WeakPolarHBondContact CD2-CG2 3.4Å; H1355-I1373 WeakPolarHBondContact NE2-CG2 3.45Å; I1373-F1376 HydrophobicContact CG2-CZ 4.08Å |
| 1374 | A | 91.1 | Very high | 81.9 | Confident | 9 Ų | 9 | 43 Ų | 43 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | trans | -145.7 | 177.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1285 H1355 N1362 L1364 | V1285-A1374 HydrophobicContact CB-CB 4.21Å; V1285-A1374 HydrophobicContact CG2-CB 3.8Å; H1355-A1374 PolarHBondContact CE1-O 2.84Å; H1355-A1374 PolarHBondContact NE2-O 2.81Å; N1362-A1374 WeakPolarHBondContact O-CB 3.49Å; N1362-A1374 PolarHBondContact O-N 3.31Å; L1364-A1374 HydrophobicContact CD1-CB 4.01Å; L1364-A1374 HydrophobicContact CG-CB 3.9Å | ||
| 1375 | D | 83.7 | Confident | 79.7 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | trans | 58.7 | 76.1 | -178.8 | -152.5 | 8.4 | 0 | 0 | 0 | 114.7 | K1255 H1355 G1377 | K1255-D1375 IonicContact NZ-OD1 2.67Å; K1255-D1375 PolarHBondContact NZ-OD1 2.95Å; H1355-D1375 PolarHBondContact CE1-O 2.85Å; D1375-G1377 VanDerWaalsContact C-N 3.33Å; D1375-G1377 PolarHBondContact O-N 3.01Å | ||
| 1376 | F | 80.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -85.3 | 6.1 | -175.9 | -70.4 | -85.6 | 0 | 0 | 0 | 114.3 | M1276 L1279 I1284 L1348 I1373 L1378 A1379 | M1276-F1376 HydrophobicContact CE-CD2 4.49Å; M1276-F1376 HydrophobicContact CG-CB 4.23Å; M1276-F1376 HydrophobicContact CG-CD2 3.85Å; M1276-F1376 HydrophobicContact CG-CG 4.31Å; M1276-F1376 HydrophobicContact SD-CD2 4.29Å; L1279-F1376 HydrophobicContact CD1-CD1 3.95Å; L1279-F1376 HydrophobicContact CD1-CD2 4.34Å; L1279-F1376 HydrophobicContact CD1-CE1 3.64Å; L1279-F1376 HydrophobicContact CD1-CE2 4.05Å; L1279-F1376 HydrophobicContact CD1-CG 4.31Å; L1279-F1376 HydrophobicContact CD1-CZ 3.7Å; I1284-F1376 HydrophobicContact CG1-CZ 4.48Å; I1284-F1376 HydrophobicContact CG2-CE2 3.79Å; I1284-F1376 HydrophobicContact CG2-CZ 3.66Å; L1348-F1376 HydrophobicContact CD1-CE1 3.93Å; L1348-F1376 HydrophobicContact CD1-CZ 4.47Å; L1348-F1376 HydrophobicContact CD2-CE1 4.02Å; I1373-F1376 HydrophobicContact CG2-CZ 4.08Å; F1376-L1378 PolarHBondContact O-N 2.83Å; F1376-L1378 VanDerWaalsContact O-N 3.12Å; F1376-A1379 HydrophobicContact CB-CB 4.18Å; F1376-A1379 HydrophobicContact CD1-CB 3.9Å; F1376-A1379 VanDerWaalsContact O-CB 3.27Å; F1376-A1379 WeakPolarHBondContact O-CB 3.45Å; F1376-A1379 PolarHBondContact O-N 3.17Å |
| 1377 | G | 70.8 | Confident | 76.6 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 19% | 0.186 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -57.6 | -31.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1375 R1380 | D1375-G1377 VanDerWaalsContact C-N 3.33Å; D1375-G1377 PolarHBondContact O-N 3.01Å; G1377-R1380 PolarHBondContact O-NH1 3.44Å |
| 1378 | L | 66.8 | Low | 75 | Confident | 50 Ų | 50 | 59 Ų | 59 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -90.9 | -10 | 174.4 | -70.5 | 177.3 | 0 | 0 | 0 | 114.3 | R1356 D1357 F1376 | R1356-L1378 WeakPolarHBondContact CD-O 3.44Å; R1356-L1378 PolarHBondContact NH1-O 2.85Å; D1357-L1378 HydrophobicContact CB-CD1 3.95Å; F1376-L1378 PolarHBondContact O-N 2.83Å; F1376-L1378 VanDerWaalsContact O-N 3.12Å |
| 1379 | A | 74.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -67.4 | 147.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1353 I1354 F1376 | I1353-A1379 HydrophobicContact CG2-CB 4.34Å; I1354-A1379 CarbonylContact O-C 3.49Å; I1354-A1379 WeakPolarHBondContact O-CA 3.22Å; F1376-A1379 HydrophobicContact CB-CB 4.18Å; F1376-A1379 HydrophobicContact CD1-CB 3.9Å; F1376-A1379 VanDerWaalsContact O-CB 3.27Å; F1376-A1379 WeakPolarHBondContact O-CB 3.45Å; F1376-A1379 PolarHBondContact O-N 3.17Å | ||
| 1380 | R | 78.3 | Confident | 71.9 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 135.8 | 178.5 | -63.2 | -64.6 | 179.9 | -92.5 | 10 | 110.5 | I1354 G1377 Y1388 | I1354-R1380 PolarHBondContact N-O 3.34Å; I1354-R1380 PolarHBondContact O-N 3.19Å; G1377-R1380 PolarHBondContact O-NH1 3.44Å; R1380-Y1388 HydrophobicContact CB-CD2 4.19Å; R1380-Y1388 HydrophobicContact CB-CE2 4.47Å; R1380-Y1388 HydrophobicContact CB-CG 4.32Å; R1380-Y1388 HydrophobicContact CG-CD2 4.28Å; R1380-Y1388 HydrophobicContact CG-CE1 4.33Å; R1380-Y1388 HydrophobicContact CG-CE2 4.09Å; R1380-Y1388 HydrophobicContact CG-CG 4.49Å |
| 1381 | L | 76.9 | Confident | 69.7 | Low | 71 Ų | 71 | 65.4 Ų | 65.4 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141.5 | 167.1 | 179.2 | 67 | 0 | 0 | 0 | 109.2 | F1275 L1351 I1353 N1383 | F1275-L1381 HydrophobicContact CE1-CB 4Å; F1275-L1381 HydrophobicContact CZ-CB 4.12Å; L1351-L1381 VanDerWaalsContact O-CD1 3.23Å; L1351-L1381 WeakPolarHBondContact O-CD1 3.49Å; I1353-L1381 HydrophobicContact CG1-CD1 3.94Å; L1381-N1383 WeakPolarHBondContact CD2-OD1 3.42Å; L1381-N1383 WeakPolarHBondContact CG-OD1 3.37Å |
| 1382 | V | 71.3 | Confident | 67 | Low | 15 Ų | 15 | 68.4 Ų | 68.4 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | trans | -124.8 | 93.1 | 178.3 | -155.5 | 0 | 0 | 0 | 0 | 111 | H1352 I1354 Q1385 Y1387 | H1352-V1382 PolarHBondContact O-N 3.2Å; I1354-V1382 HydrophobicContact CD1-CG2 3.5Å; I1354-V1382 HydrophobicContact CG1-CG2 3.94Å; V1382-Q1385 HydrophobicContact CG1-CB 3.94Å; V1382-Q1385 WeakPolarHBondContact CG1-O 3.38Å; V1382-Y1387 VanDerWaalsContact CG1-O 3.3Å; V1382-Y1387 WeakPolarHBondContact CG1-O 3.15Å | ||
| 1383 | N | 50.1 | Low | 64.5 | Low | 119 Ų | 119 | 76.5 Ų | 76.5 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -81.4 | 124.2 | 178.6 | -69.8 | -14.5 | 0 | 0 | 0 | 110.7 | L1381 Q1385 | L1381-N1383 WeakPolarHBondContact CD2-OD1 3.42Å; L1381-N1383 WeakPolarHBondContact CG-OD1 3.37Å; N1383-Q1385 PolarHBondContact O-N 3.5Å |
| 1384 | N | 54.7 | Low | 62.5 | Low | 174 Ų | 174 | 79.5 Ų | 79.5 | 93% | 0.93 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 57.7 | 12.6 | 175 | -59.7 | -6.1 | 0 | 0 | 0 | 116.6 | ||
| 1385 | Q | 50.5 | Low | 61.1 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 54% | 0.542 | 45% | 0.448 | S | S | . | . | trans | -128.5 | 142.9 | 168.5 | -64.5 | -174.2 | -19.6 | 0 | 0 | 108.5 | V1382 N1383 Y1387 | V1382-Q1385 HydrophobicContact CG1-CB 3.94Å; V1382-Q1385 WeakPolarHBondContact CG1-O 3.38Å; N1383-Q1385 PolarHBondContact O-N 3.5Å; Q1385-Y1387 PolarHBondContact O-N 2.93Å | ||
| 1386 | E | 59.1 | Low | 60.6 | Low | 182 Ų | 182 | 90.8 Ų | 90.8 | 85% | 0.85 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -80.7 | -5 | 179.2 | -60.8 | -172.1 | 144 | 0 | 0 | 113.2 | ||
| 1387 | Y | 59.6 | Low | 61 | Low | 86 Ų | 86 | 91.3 Ų | 91.3 | 34% | 0.337 | 45% | 0.453 | S | S | . | . | trans | -138.4 | 146.9 | -174.7 | 68.5 | -90.2 | 0 | 0 | 0 | 112.2 | V1382 Q1385 R1389 Y1410 F1411 | V1382-Y1387 VanDerWaalsContact CG1-O 3.3Å; V1382-Y1387 WeakPolarHBondContact CG1-O 3.15Å; Q1385-Y1387 PolarHBondContact O-N 2.93Å; Y1387-R1389 HydrophobicContact CD2-CB 4.26Å; Y1387-R1389 HydrophobicContact CE2-CB 4.23Å; Y1387-Y1410 HydrophobicContact CD1-CD1 4.36Å; Y1387-Y1410 HydrophobicContact CD1-CE1 4.26Å; Y1387-Y1410 AromaticContact CD2-CD1 3.33Å; Y1387-Y1410 HydrophobicContact CD2-CD1 3.33Å; Y1387-Y1410 AromaticContact CD2-CE1 3.32Å; Y1387-Y1410 HydrophobicContact CD2-CE1 3.32Å; Y1387-Y1410 HydrophobicContact CD2-CG 4.36Å; Y1387-Y1410 HydrophobicContact CE1-CE1 4.28Å; Y1387-Y1410 AromaticContact CE2-CD1 3.9Å; Y1387-Y1410 HydrophobicContact CE2-CD1 3.9Å; Y1387-Y1410 AromaticContact CE2-CE1 3.34Å; Y1387-Y1410 HydrophobicContact CE2-CE1 3.34Å; Y1387-Y1410 AromaticContact CG-CD1 3.61Å; Y1387-Y1410 HydrophobicContact CG-CD1 3.61Å; Y1387-Y1410 AromaticContact CG-CE1 3.82Å; Y1387-Y1410 HydrophobicContact CG-CE1 3.82Å; Y1387-Y1410 AromaticContact CZ-CE1 3.85Å; Y1387-F1411 CarbonylContact C-O 3.56Å; Y1387-F1411 WeakPolarHBondContact CA-O 3.36Å | ||
| 1388 | Y | 52 | Low | 61.9 | Low | 68 Ų | 68 | 91.4 Ų | 91.4 | 27% | 0.267 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.1 | 163.8 | 171.9 | -93 | 0 | 0 | 0 | 109.3 | R1356 R1380 K1390 F1411 | R1356-Y1388 VanDerWaalsContact CZ-CE1 3.49Å; R1380-Y1388 HydrophobicContact CB-CD2 4.19Å; R1380-Y1388 HydrophobicContact CB-CE2 4.47Å; R1380-Y1388 HydrophobicContact CB-CG 4.32Å; R1380-Y1388 HydrophobicContact CG-CD2 4.28Å; R1380-Y1388 HydrophobicContact CG-CE1 4.33Å; R1380-Y1388 HydrophobicContact CG-CE2 4.09Å; R1380-Y1388 HydrophobicContact CG-CG 4.49Å; Y1388-K1390 HydrophobicContact CE1-CB 3.98Å; Y1388-F1411 HydrophobicContact CD1-CB 4.43Å; Y1388-F1411 HydrophobicContact CD1-CD2 4.02Å; Y1388-F1411 HydrophobicContact CD1-CG 4.47Å; Y1388-F1411 PolarHBondContact N-O 2.67Å; Y1388-F1411 PolarHBondContact O-N 3.16Å |
| 1389 | R | 60.1 | Low | 63.3 | Low | 141 Ų | 141 | 90.1 Ų | 90.1 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.1 | 174.2 | -172.6 | -179.5 | -178.3 | -178.3 | -2.8 | 110.2 | Y1387 A1409 Y1410 | Y1387-R1389 HydrophobicContact CD2-CB 4.26Å; Y1387-R1389 HydrophobicContact CE2-CB 4.23Å; R1389-A1409 WeakPolarHBondContact CA-O 3.5Å; R1389-Y1410 HydrophobicContact CB-CE2 4.46Å; R1389-Y1410 HydrophobicContact CG-CD2 4.08Å; R1389-Y1410 HydrophobicContact CG-CE2 3.87Å |
| 1390 | K | 51.4 | Low | 64.3 | Low | 28 Ų | 28 | 91.6 Ų | 91.6 | 12% | 0.122 | 45% | 0.448 | C | S | . | . | trans | -74.2 | 135.9 | 174 | -168.5 | -173 | -175.4 | 176.5 | 0 | 109.9 | Y1388 A1394 L1396 A1409 F1411 | Y1388-K1390 HydrophobicContact CE1-CB 3.98Å; K1390-A1394 VanDerWaalsContact NZ-CB 3.33Å; K1390-A1394 PolarHBondContact NZ-O 3.12Å; K1390-L1396 HydrophobicContact CD-CD1 4.12Å; K1390-L1396 HydrophobicContact CD-CD2 4.17Å; K1390-L1396 HydrophobicContact CD-CG 4.46Å; K1390-A1409 HydrophobicContact CB-CB 4.26Å; K1390-A1409 PolarHBondContact N-O 3.09Å; K1390-F1411 HydrophobicContact CB-CD2 4.43Å; K1390-F1411 HydrophobicContact CB-CE2 3.81Å | ||
| 1391 | I | 45 | Very low | 65.1 | Low | 155 Ų | 155 | 88.9 Ų | 88.9 | 80% | 0.795 | 44% | 0.438 | S | S | * | . | trans | -117 | 139.5 | 171.3 | -62.1 | 163.1 | 0 | 0 | 0 | 107.9 | ||||
| 1392 | G | 40.1 | Very low | 66 | Low | 62 Ų | 62 | 85.5 Ų | 85.5 | 64% | 0.639 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 86 | 165.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1393 | Q | 43.4 | Very low | 67.1 | Low | 191 Ų | 191 | 84.9 Ų | 84.9 | 89% | 0.893 | 42% | 0.417 | S | S | * | . | trans | -73.8 | 133.7 | 176.5 | -65.2 | -176.4 | 0.5 | 0 | 0 | 111 | ||||
| 1394 | A | 53.1 | Low | 69.2 | Low | 63 Ų | 63 | 80.5 Ų | 80.5 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | trans | -166.8 | 157.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | K1390 | K1390-A1394 VanDerWaalsContact NZ-CB 3.33Å; K1390-A1394 PolarHBondContact NZ-O 3.12Å | ||
| 1395 | R | 61.2 | Low | 70.9 | Confident | 240 Ų | 240 | 72.4 Ų | 72.4 | 91% | 0.906 | 35% | 0.349 | S | S | * | . | trans | -50.7 | 141.8 | 179.6 | -69 | 175.9 | 172.1 | 138.6 | -1.1 | 111.6 | ||||
| 1396 | L | 74.5 | Confident | 72.8 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | trans | -146 | 147.8 | -175.1 | -79.4 | 175.6 | 0 | 0 | 0 | 111.2 | K1390 V1398 M1401 F1411 | K1390-L1396 HydrophobicContact CD-CD1 4.12Å; K1390-L1396 HydrophobicContact CD-CD2 4.17Å; K1390-L1396 HydrophobicContact CD-CG 4.46Å; L1396-V1398 VanDerWaalsContact C-N 3.28Å; L1396-V1398 PolarHBondContact O-N 3.27Å; L1396-M1401 HydrophobicContact CB-CE 4.42Å; L1396-M1401 HydrophobicContact CB-SD 3.81Å; L1396-M1401 HydrophobicContact CD1-CE 3.99Å; L1396-M1401 HydrophobicContact CD1-SD 4.47Å; L1396-M1401 HydrophobicContact CD2-CE 4.46Å; L1396-M1401 HydrophobicContact CD2-SD 4.5Å; L1396-M1401 HydrophobicContact CG-SD 4.47Å; L1396-F1411 HydrophobicContact CD2-CE1 4.44Å; L1396-F1411 HydrophobicContact CD2-CZ 3.81Å | ||
| 1397 | P | 88.4 | Confident | 74.1 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.078 | 32% | 0.318 | C | S | . | . | trans | -85.9 | 60.2 | -175 | 37.1 | -38 | 0 | 0 | 0 | 112.2 | D1357 R1399 W1400 M1401 | D1357-P1397 HydrophobicContact CB-CG 4.15Å; D1357-P1397 WeakPolarHBondContact OD1-CB 3.29Å; D1357-P1397 VanDerWaalsContact OD1-CG 3.24Å; D1357-P1397 WeakPolarHBondContact OD1-CG 3.21Å; P1397-R1399 PolarHBondContact O-N 3.33Å; P1397-W1400 HydrophobicContact CB-CE3 4.1Å; P1397-W1400 PolarHBondContact O-N 3.1Å; P1397-M1401 HydrophobicContact CG-CG 4.01Å; P1397-M1401 HydrophobicContact CG-SD 4.28Å; P1397-M1401 WeakPolarHBondContact O-CG 3.34Å; P1397-M1401 PolarHBondContact O-N 3.19Å | ||
| 1398 | V | 90.6 | Very high | 75.1 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -40.6 | -42 | -169.3 | 178.9 | 0 | 0 | 0 | 0 | 114.8 | L1396 W1400 M1401 L1406 H1440 V1443 M1444 | L1396-V1398 VanDerWaalsContact C-N 3.28Å; L1396-V1398 PolarHBondContact O-N 3.27Å; V1398-W1400 VanDerWaalsContact C-N 3.29Å; V1398-W1400 PolarHBondContact O-N 3.25Å; V1398-M1401 PolarHBondContact O-N 3.22Å; V1398-L1406 HydrophobicContact CG1-CD2 4.02Å; V1398-H1440 HydrophobicContact CB-CB 4.38Å; V1398-H1440 HydrophobicContact CG1-CB 4.09Å; V1398-H1440 HydrophobicContact CG2-CB 4.41Å; V1398-V1443 HydrophobicContact CG1-CG1 4.2Å; V1398-M1444 HydrophobicContact CG1-CG 3.6Å; V1398-M1444 HydrophobicContact CG1-SD 4.32Å |
| 1399 | R | 94.2 | Very high | 76.6 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -73.6 | -11.3 | -177 | -63.1 | 173 | -175.9 | -83.1 | -11.6 | 115.6 | P1397 P1434 Y1435 L1438 H1440 V1443 | P1397-R1399 PolarHBondContact O-N 3.33Å; R1399-P1434 HydrophobicContact CB-CB 4.29Å; R1399-P1434 WeakPolarHBondContact CD-O 3.45Å; R1399-P1434 PolarHBondContact NH1-O 3.14Å; R1399-Y1435 HydrophobicContact CB-CD2 4.4Å; R1399-Y1435 PolarHBondContact NH1-O 3.16Å; R1399-Y1435 WeakPolarHBondContact O-CE2 3.5Å; R1399-L1438 PolarHBondContact NH1-O 2.74Å; R1399-L1438 PolarHBondContact NH2-O 3.33Å; R1399-H1440 PolarHBondContact NE-CD2 3.08Å; R1399-H1440 PolarHBondContact NE-NE2 2.94Å; R1399-H1440 VanDerWaalsContact NE-NE2 3.16Å; R1399-H1440 PolarHBondContact NH2-CD2 3.3Å; R1399-V1443 HydrophobicContact CG-CG1 4.47Å; R1399-V1443 HydrophobicContact CG-CG2 4.5Å |
| 1400 | W | 96.3 | Very high | 77.8 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 12% | 0.121 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -108.3 | -11.9 | 176.6 | -67.2 | -99.2 | 0 | 0 | 0 | 112.5 | A1359 P1397 V1398 S1419 V1422 E1426 P1434 | A1359-W1400 HydrophobicContact CB-CD2 4.07Å; A1359-W1400 HydrophobicContact CB-CG 4.03Å; A1359-W1400 HydrophobicContact CB-CZ2 4.36Å; P1397-W1400 HydrophobicContact CB-CE3 4.1Å; P1397-W1400 PolarHBondContact O-N 3.1Å; V1398-W1400 VanDerWaalsContact C-N 3.29Å; V1398-W1400 PolarHBondContact O-N 3.25Å; W1400-S1419 WeakPolarHBondContact O-CA 3Å; W1400-S1419 PolarHBondContact O-OG 2.81Å; W1400-S1419 VanDerWaalsContact O-OG 3.05Å; W1400-V1422 HydrophobicContact CG-CG1 4.06Å; W1400-E1426 PolarHBondContact NE1-OE2 3.13Å; W1400-P1434 HydrophobicContact CZ2-CG 4.03Å |
| 1401 | M | 94.5 | Very high | 79.5 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | trans | -79.8 | 151.4 | -173.2 | -68.6 | 167.2 | 68.6 | 0 | 0 | 113.2 | L1396 P1397 V1398 T1405 L1406 F1411 W1418 | L1396-M1401 HydrophobicContact CB-CE 4.42Å; L1396-M1401 HydrophobicContact CB-SD 3.81Å; L1396-M1401 HydrophobicContact CD1-CE 3.99Å; L1396-M1401 HydrophobicContact CD1-SD 4.47Å; L1396-M1401 HydrophobicContact CD2-CE 4.46Å; L1396-M1401 HydrophobicContact CD2-SD 4.5Å; L1396-M1401 HydrophobicContact CG-SD 4.47Å; P1397-M1401 HydrophobicContact CG-CG 4.01Å; P1397-M1401 HydrophobicContact CG-SD 4.28Å; P1397-M1401 WeakPolarHBondContact O-CG 3.34Å; P1397-M1401 PolarHBondContact O-N 3.19Å; V1398-M1401 PolarHBondContact O-N 3.22Å; M1401-T1405 HydrophobicContact CE-CG2 3.49Å; M1401-T1405 VanDerWaalsContact CE-CG2 3.49Å; M1401-L1406 HydrophobicContact CB-CD1 4.36Å; M1401-L1406 HydrophobicContact CB-CD2 3.59Å; M1401-L1406 HydrophobicContact CB-CG 3.79Å; M1401-L1406 HydrophobicContact CE-CD2 3.81Å; M1401-L1406 HydrophobicContact CG-CD2 4.33Å; M1401-L1406 HydrophobicContact SD-CD2 3.86Å; M1401-F1411 HydrophobicContact CE-CE1 4.32Å; M1401-F1411 HydrophobicContact CE-CZ 4.05Å; M1401-W1418 PolarHBondContact O-NE1 2.76Å | ||
| 1402 | A | 95.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -81.4 | 156.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | E1404 T1405 L1406 W1418 | A1402-E1404 VanDerWaalsContact C-N 3.32Å; A1402-E1404 VanDerWaalsContact CB-CD 3.46Å; A1402-E1404 WeakPolarHBondContact CB-OE1 3.4Å; A1402-E1404 WeakPolarHBondContact CB-OE2 3.42Å; A1402-E1404 PolarHBondContact O-N 3.04Å; A1402-T1405 WeakPolarHBondContact O-CA 3.39Å; A1402-T1405 WeakPolarHBondContact O-CB 3.38Å; A1402-T1405 PolarHBondContact O-N 3.05Å; A1402-L1406 WeakPolarHBondContact O-CG 3.03Å; A1402-L1406 PolarHBondContact O-N 2.94Å; A1402-W1418 HydrophobicContact CB-CB 3.69Å; A1402-W1418 HydrophobicContact CB-CD2 4.16Å; A1402-W1418 HydrophobicContact CB-CG 3.7Å | ||
| 1403 | P | 94.9 | Very high | 84.2 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.9 | -37.9 | -177.7 | 21.2 | -33.3 | 0 | 0 | 0 | 113.8 | T1405 L1406 S1407 W1418 V1447 F1476 | P1403-T1405 VanDerWaalsContact C-N 3.28Å; P1403-T1405 PolarHBondContact O-N 3.26Å; P1403-L1406 PolarHBondContact O-N 2.84Å; P1403-S1407 VanDerWaalsContact O-CB 3.32Å; P1403-S1407 WeakPolarHBondContact O-CB 3.31Å; P1403-S1407 PolarHBondContact O-N 2.92Å; P1403-S1407 PolarHBondContact O-OG 3.07Å; P1403-W1418 HydrophobicContact CG-CE3 4.4Å; P1403-W1418 HydrophobicContact CG-CH2 4.35Å; P1403-W1418 HydrophobicContact CG-CZ3 4.06Å; P1403-V1447 HydrophobicContact CB-CG1 3.99Å; P1403-V1447 HydrophobicContact CG-CG1 4.44Å; P1403-F1476 HydrophobicContact CB-CD2 4.01Å; P1403-F1476 HydrophobicContact CB-CE2 3.62Å; P1403-F1476 HydrophobicContact CB-CZ 4.2Å; P1403-F1476 HydrophobicContact CG-CD2 3.83Å; P1403-F1476 HydrophobicContact CG-CE2 3.98Å; P1403-F1476 HydrophobicContact CG-CG 4.43Å |
| 1404 | E | 93.2 | Very high | 86.7 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -35.3 | 175.3 | 70.7 | -80.2 | -166 | 0 | 0 | 112.1 | A1402 S1407 S1408 S1415 P1478 R1481 | A1402-E1404 VanDerWaalsContact C-N 3.32Å; A1402-E1404 VanDerWaalsContact CB-CD 3.46Å; A1402-E1404 WeakPolarHBondContact CB-OE1 3.4Å; A1402-E1404 WeakPolarHBondContact CB-OE2 3.42Å; A1402-E1404 PolarHBondContact O-N 3.04Å; E1404-S1407 PolarHBondContact O-OG 3.44Å; E1404-S1408 PolarHBondContact O-N 3.28Å; E1404-S1408 VanDerWaalsContact O-N 3.1Å; E1404-S1408 PolarHBondContact O-OG 3.49Å; E1404-S1415 WeakPolarHBondContact OE1-CA 3.32Å; E1404-S1415 WeakPolarHBondContact OE1-CB 3.47Å; E1404-P1478 HydrophobicContact CB-CG 4.18Å; E1404-P1478 HydrophobicContact CG-CG 3.91Å; E1404-R1481 IonicContact OE1-CZ 3.72Å; E1404-R1481 IonicContact OE1-NH1 3.75Å; E1404-R1481 PolarHBondContact OE1-NH1 2.88Å; E1404-R1481 IonicContact OE1-NH2 3.9Å; E1404-R1481 IonicContact OE2-CZ 2.84Å; E1404-R1481 IonicContact OE2-NH1 2.63Å; E1404-R1481 PolarHBondContact OE2-NH1 2.82Å; E1404-R1481 IonicContact OE2-NH2 2.65Å; E1404-R1481 PolarHBondContact OE2-NH2 3.08Å |
| 1405 | T | 92 | Very high | 88.7 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -80 | -33.5 | -178.1 | -44.7 | 0 | 0 | 0 | 0 | 112.1 | M1401 A1402 P1403 A1409 Y1410 F1411 S1415 | M1401-T1405 HydrophobicContact CE-CG2 3.49Å; M1401-T1405 VanDerWaalsContact CE-CG2 3.49Å; A1402-T1405 WeakPolarHBondContact O-CA 3.39Å; A1402-T1405 WeakPolarHBondContact O-CB 3.38Å; A1402-T1405 PolarHBondContact O-N 3.05Å; P1403-T1405 VanDerWaalsContact C-N 3.28Å; P1403-T1405 PolarHBondContact O-N 3.26Å; T1405-A1409 VanDerWaalsContact O-CA 3.24Å; T1405-A1409 WeakPolarHBondContact O-CA 3.32Å; T1405-A1409 PolarHBondContact O-N 2.81Å; T1405-A1409 VanDerWaalsContact O-N 3.1Å; T1405-Y1410 VanDerWaalsContact CA-O 3.24Å; T1405-Y1410 WeakPolarHBondContact CA-O 3.45Å; T1405-Y1410 WeakPolarHBondContact CB-O 3.29Å; T1405-Y1410 WeakPolarHBondContact CG2-O 3.29Å; T1405-Y1410 PolarHBondContact OG1-O 2.87Å; T1405-F1411 HydrophobicContact CG2-CD1 3.4Å; T1405-F1411 HydrophobicContact CG2-CD2 3.8Å; T1405-F1411 HydrophobicContact CG2-CE1 3.28Å; T1405-F1411 HydrophobicContact CG2-CE2 3.63Å; T1405-F1411 HydrophobicContact CG2-CG 3.68Å; T1405-F1411 HydrophobicContact CG2-CZ 3.38Å; T1405-S1415 VanDerWaalsContact OG1-CB 3.27Å; T1405-S1415 WeakPolarHBondContact OG1-CB 3.09Å |
| 1406 | L | 89.8 | Confident | 90.4 | Very high | 27 Ų | 27 | 27 Ų | 27 | 14% | 0.141 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.9 | -41.1 | 174.8 | -67.8 | 176.2 | 0 | 0 | 0 | 112.1 | V1398 M1401 A1402 P1403 M1444 V1447 | V1398-L1406 HydrophobicContact CG1-CD2 4.02Å; M1401-L1406 HydrophobicContact CB-CD1 4.36Å; M1401-L1406 HydrophobicContact CB-CD2 3.59Å; M1401-L1406 HydrophobicContact CB-CG 3.79Å; M1401-L1406 HydrophobicContact CE-CD2 3.81Å; M1401-L1406 HydrophobicContact CG-CD2 4.33Å; M1401-L1406 HydrophobicContact SD-CD2 3.86Å; A1402-L1406 WeakPolarHBondContact O-CG 3.03Å; A1402-L1406 PolarHBondContact O-N 2.94Å; P1403-L1406 PolarHBondContact O-N 2.84Å; L1406-M1444 HydrophobicContact CD2-CG 3.99Å; L1406-V1447 HydrophobicContact CD1-CB 3.96Å; L1406-V1447 HydrophobicContact CD1-CG1 3.84Å |
| 1407 | S | 85.8 | Confident | 91.5 | Very high | 85 Ų | 85 | 24.2 Ų | 24.2 | 59% | 0.594 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -76.3 | -36.7 | -178.8 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | P1403 E1404 | P1403-S1407 VanDerWaalsContact O-CB 3.32Å; P1403-S1407 WeakPolarHBondContact O-CB 3.31Å; P1403-S1407 PolarHBondContact O-N 2.92Å; P1403-S1407 PolarHBondContact O-OG 3.07Å; E1404-S1407 PolarHBondContact O-OG 3.44Å |
| 1408 | S | 80.4 | Confident | 91.9 | Very high | 49 Ų | 49 | 23.8 Ų | 23.8 | 34% | 0.343 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -131.4 | -3.8 | -167.5 | 72.3 | 0 | 0 | 0 | 0 | 115.4 | E1404 Y1410 | E1404-S1408 PolarHBondContact O-N 3.28Å; E1404-S1408 VanDerWaalsContact O-N 3.1Å; E1404-S1408 PolarHBondContact O-OG 3.49Å; S1408-Y1410 WeakPolarHBondContact O-CD2 3.05Å; S1408-Y1410 PolarHBondContact O-N 2.97Å; S1408-Y1410 WeakPolarHBondContact OG-CD2 3.24Å |
| 1409 | A | 83.8 | Confident | 92.2 | Very high | 27 Ų | 27 | 23.1 Ų | 23.1 | 22% | 0.223 | 13% | 0.13 | C | C | . | . | trans | 60.4 | 23 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1389 K1390 T1405 F1411 | R1389-A1409 WeakPolarHBondContact CA-O 3.5Å; K1390-A1409 HydrophobicContact CB-CB 4.26Å; K1390-A1409 PolarHBondContact N-O 3.09Å; T1405-A1409 VanDerWaalsContact O-CA 3.24Å; T1405-A1409 WeakPolarHBondContact O-CA 3.32Å; T1405-A1409 PolarHBondContact O-N 2.81Å; T1405-A1409 VanDerWaalsContact O-N 3.1Å; A1409-F1411 VanDerWaalsContact O-CD2 3.32Å; A1409-F1411 WeakPolarHBondContact O-CD2 3.14Å | ||
| 1410 | Y | 85 | Confident | 92.4 | Very high | 66 Ų | 66 | 22.1 Ų | 22.1 | 26% | 0.259 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.9 | 168.8 | -77.9 | -117.7 | 0 | 0 | 0 | 109.8 | Y1387 R1389 T1405 S1408 | Y1387-Y1410 HydrophobicContact CD1-CD1 4.36Å; Y1387-Y1410 HydrophobicContact CD1-CE1 4.26Å; Y1387-Y1410 AromaticContact CD2-CD1 3.33Å; Y1387-Y1410 HydrophobicContact CD2-CD1 3.33Å; Y1387-Y1410 AromaticContact CD2-CE1 3.32Å; Y1387-Y1410 HydrophobicContact CD2-CE1 3.32Å; Y1387-Y1410 HydrophobicContact CD2-CG 4.36Å; Y1387-Y1410 HydrophobicContact CE1-CE1 4.28Å; Y1387-Y1410 AromaticContact CE2-CD1 3.9Å; Y1387-Y1410 HydrophobicContact CE2-CD1 3.9Å; Y1387-Y1410 AromaticContact CE2-CE1 3.34Å; Y1387-Y1410 HydrophobicContact CE2-CE1 3.34Å; Y1387-Y1410 AromaticContact CG-CD1 3.61Å; Y1387-Y1410 HydrophobicContact CG-CD1 3.61Å; Y1387-Y1410 AromaticContact CG-CE1 3.82Å; Y1387-Y1410 HydrophobicContact CG-CE1 3.82Å; Y1387-Y1410 AromaticContact CZ-CE1 3.85Å; R1389-Y1410 HydrophobicContact CB-CE2 4.46Å; R1389-Y1410 HydrophobicContact CG-CD2 4.08Å; R1389-Y1410 HydrophobicContact CG-CE2 3.87Å; T1405-Y1410 VanDerWaalsContact CA-O 3.24Å; T1405-Y1410 WeakPolarHBondContact CA-O 3.45Å; T1405-Y1410 WeakPolarHBondContact CB-O 3.29Å; T1405-Y1410 WeakPolarHBondContact CG2-O 3.29Å; T1405-Y1410 PolarHBondContact OG1-O 2.87Å; S1408-Y1410 WeakPolarHBondContact O-CD2 3.05Å; S1408-Y1410 PolarHBondContact O-N 2.97Å; S1408-Y1410 WeakPolarHBondContact OG-CD2 3.24Å |
| 1411 | F | 88.5 | Confident | 92.4 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 137.3 | 173.2 | -63.5 | -101.8 | 0 | 0 | 0 | 108.6 | I1354 R1356 Y1387 Y1388 K1390 L1396 M1401 T1405 A1409 | I1354-F1411 HydrophobicContact CD1-CB 4.36Å; I1354-F1411 WeakPolarHBondContact CD1-O 3.31Å; I1354-F1411 HydrophobicContact CG2-CB 4.34Å; R1356-F1411 HydrophobicContact CB-CD1 3.66Å; R1356-F1411 HydrophobicContact CB-CE1 3.82Å; R1356-F1411 HydrophobicContact CG-CB 4.1Å; R1356-F1411 HydrophobicContact CG-CD1 3.47Å; R1356-F1411 VanDerWaalsContact CG-CD1 3.47Å; R1356-F1411 HydrophobicContact CG-CE1 4.12Å; R1356-F1411 HydrophobicContact CG-CG 3.96Å; R1356-F1411 VanDerWaalsContact NE-CD1 3.25Å; R1356-F1411 VanDerWaalsContact NE-CG 3.28Å; R1356-F1411 VanDerWaalsContact NH2-CE2 3.25Å; R1356-F1411 VanDerWaalsContact NH2-CZ 3.31Å; Y1387-F1411 CarbonylContact C-O 3.56Å; Y1387-F1411 WeakPolarHBondContact CA-O 3.36Å; Y1388-F1411 HydrophobicContact CD1-CB 4.43Å; Y1388-F1411 HydrophobicContact CD1-CD2 4.02Å; Y1388-F1411 HydrophobicContact CD1-CG 4.47Å; Y1388-F1411 PolarHBondContact N-O 2.67Å; Y1388-F1411 PolarHBondContact O-N 3.16Å; K1390-F1411 HydrophobicContact CB-CD2 4.43Å; K1390-F1411 HydrophobicContact CB-CE2 3.81Å; L1396-F1411 HydrophobicContact CD2-CE1 4.44Å; L1396-F1411 HydrophobicContact CD2-CZ 3.81Å; M1401-F1411 HydrophobicContact CE-CE1 4.32Å; M1401-F1411 HydrophobicContact CE-CZ 4.05Å; T1405-F1411 HydrophobicContact CG2-CD1 3.4Å; T1405-F1411 HydrophobicContact CG2-CD2 3.8Å; T1405-F1411 HydrophobicContact CG2-CE1 3.28Å; T1405-F1411 HydrophobicContact CG2-CE2 3.63Å; T1405-F1411 HydrophobicContact CG2-CG 3.68Å; T1405-F1411 HydrophobicContact CG2-CZ 3.38Å; A1409-F1411 VanDerWaalsContact O-CD2 3.32Å; A1409-F1411 WeakPolarHBondContact O-CD2 3.14Å |
| 1412 | T | 91.2 | Very high | 92.5 | Very high | 26 Ų | 26 | 20.1 Ų | 20.1 | 16% | 0.16 | 12% | 0.118 | C | C | . | . | trans | -140.9 | 169 | 176.8 | 64.2 | 0 | 0 | 0 | 0 | 109.7 | K1414 S1415 D1416 | T1412-K1414 PolarHBondContact O-N 3.36Å; T1412-K1414 WeakPolarHBondContact OG1-CB 3.42Å; T1412-K1414 PolarHBondContact OG1-N 2.93Å; T1412-S1415 PolarHBondContact N-OG 2.9Å; T1412-S1415 WeakPolarHBondContact O-CB 3.15Å; T1412-S1415 PolarHBondContact O-N 3.29Å; T1412-S1415 PolarHBondContact O-OG 3.12Å; T1412-S1415 PolarHBondContact OG1-N 3.13Å; T1412-S1415 VanDerWaalsContact OG1-N 3.11Å; T1412-D1416 PolarHBondContact O-N 2.81Å | ||
| 1413 | T | 92.6 | Very high | 92.5 | Very high | 51 Ų | 51 | 20.1 Ų | 20.1 | 31% | 0.313 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -58.7 | -28.8 | 169.4 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | A1349 D1416 V1417 | A1349-T1413 HydrophobicContact CB-CG2 3.84Å; T1413-D1416 PolarHBondContact O-N 3.47Å; T1413-V1417 PolarHBondContact O-N 3.23Å; T1413-V1417 VanDerWaalsContact O-N 3.16Å |
| 1414 | K | 95.3 | Very high | 92.5 | Very high | 40 Ų | 40 | 20.1 Ų | 20.1 | 17% | 0.174 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.8 | -27.5 | 172.6 | -58.9 | -71.5 | -166.7 | 168.9 | 0 | 113.1 | T1412 V1417 W1418 P1478 R1481 L1482 | T1412-K1414 PolarHBondContact O-N 3.36Å; T1412-K1414 WeakPolarHBondContact OG1-CB 3.42Å; T1412-K1414 PolarHBondContact OG1-N 2.93Å; K1414-V1417 PolarHBondContact O-N 3.3Å; K1414-W1418 PolarHBondContact O-N 3.29Å; K1414-P1478 HydrophobicContact CB-CB 3.97Å; K1414-P1478 WeakPolarHBondContact CD-O 3.46Å; K1414-P1478 WeakPolarHBondContact CE-O 3.12Å; K1414-P1478 HydrophobicContact CG-CB 4.35Å; K1414-P1478 VanDerWaalsContact CG-O 3.3Å; K1414-P1478 WeakPolarHBondContact CG-O 3.21Å; K1414-R1481 PolarHBondContact NZ-O 2.91Å; K1414-R1481 WeakPolarHBondContact O-CD 3.34Å; K1414-R1481 PolarHBondContact O-NH1 3.29Å; K1414-L1482 WeakPolarHBondContact CD-O 3.36Å; K1414-L1482 PolarHBondContact NZ-O 3.38Å |
| 1415 | S | 95.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.6 | -32.6 | 173.1 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | E1404 T1405 T1412 W1418 S1419 | E1404-S1415 WeakPolarHBondContact OE1-CA 3.32Å; E1404-S1415 WeakPolarHBondContact OE1-CB 3.47Å; T1405-S1415 VanDerWaalsContact OG1-CB 3.27Å; T1405-S1415 WeakPolarHBondContact OG1-CB 3.09Å; T1412-S1415 PolarHBondContact N-OG 2.9Å; T1412-S1415 WeakPolarHBondContact O-CB 3.15Å; T1412-S1415 PolarHBondContact O-N 3.29Å; T1412-S1415 PolarHBondContact O-OG 3.12Å; T1412-S1415 PolarHBondContact OG1-N 3.13Å; T1412-S1415 VanDerWaalsContact OG1-N 3.11Å; S1415-W1418 PolarHBondContact O-N 2.93Å; S1415-S1419 PolarHBondContact O-N 2.9Å; S1415-S1419 PolarHBondContact O-OG 2.8Å |
| 1416 | D | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.2 | -30.2 | 170.3 | -74.3 | -22.2 | 0 | 0 | 0 | 111.9 | M1345 I1354 H1355 R1356 T1412 T1413 S1419 Y1420 F1484 | M1345-D1416 HydrophobicContact CE-CB 3.68Å; I1354-D1416 WeakPolarHBondContact CA-OD2 3.24Å; I1354-D1416 WeakPolarHBondContact CG2-OD2 3.11Å; H1355-D1416 PolarHBondContact N-OD2 3.14Å; R1356-D1416 PolarHBondContact N-OD1 3.38Å; T1412-D1416 PolarHBondContact O-N 2.81Å; T1413-D1416 PolarHBondContact O-N 3.47Å; D1416-S1419 CarbonylContact O-C 3.45Å; D1416-S1419 WeakPolarHBondContact O-CB 3.37Å; D1416-S1419 PolarHBondContact O-N 2.9Å; D1416-Y1420 PolarHBondContact O-N 2.92Å; D1416-F1484 HydrophobicContact CB-CE2 4.17Å; D1416-F1484 HydrophobicContact CB-CZ 4.22Å |
| 1417 | V | 97.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 172.9 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | T1413 K1414 S1419 Y1420 G1421 C1473 R1481 F1484 I1487 | T1413-V1417 PolarHBondContact O-N 3.23Å; T1413-V1417 VanDerWaalsContact O-N 3.16Å; K1414-V1417 PolarHBondContact O-N 3.3Å; V1417-S1419 VanDerWaalsContact C-N 3.3Å; V1417-S1419 PolarHBondContact O-N 2.92Å; V1417-Y1420 WeakPolarHBondContact O-CB 3.01Å; V1417-Y1420 PolarHBondContact O-N 2.94Å; V1417-G1421 PolarHBondContact O-N 3.18Å; V1417-C1473 HydrophobicContact CG1-CB 4.06Å; V1417-C1473 WeakPolarHBondContact O-CB 3.28Å; V1417-R1481 HydrophobicContact CG1-CG 4.05Å; V1417-F1484 HydrophobicContact CB-CZ 4.28Å; V1417-F1484 HydrophobicContact CG2-CD1 4.27Å; V1417-F1484 HydrophobicContact CG2-CD2 3.79Å; V1417-F1484 HydrophobicContact CG2-CE1 3.98Å; V1417-F1484 HydrophobicContact CG2-CE2 3.46Å; V1417-F1484 VanDerWaalsContact CG2-CE2 3.46Å; V1417-F1484 HydrophobicContact CG2-CG 4.18Å; V1417-F1484 HydrophobicContact CG2-CZ 3.56Å; V1417-I1487 HydrophobicContact CG1-CD1 3.89Å; V1417-I1487 HydrophobicContact CG2-CD1 4.46Å |
| 1418 | W | 97.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 172.1 | 177 | -76.7 | 0 | 0 | 0 | 111.4 | M1401 A1402 P1403 K1414 S1415 Y1420 G1421 V1422 V1447 H1452 C1473 W1474 | M1401-W1418 PolarHBondContact O-NE1 2.76Å; A1402-W1418 HydrophobicContact CB-CB 3.69Å; A1402-W1418 HydrophobicContact CB-CD2 4.16Å; A1402-W1418 HydrophobicContact CB-CG 3.7Å; P1403-W1418 HydrophobicContact CG-CE3 4.4Å; P1403-W1418 HydrophobicContact CG-CH2 4.35Å; P1403-W1418 HydrophobicContact CG-CZ3 4.06Å; K1414-W1418 PolarHBondContact O-N 3.29Å; S1415-W1418 PolarHBondContact O-N 2.93Å; W1418-Y1420 VanDerWaalsContact C-N 3.33Å; W1418-Y1420 PolarHBondContact O-N 2.83Å; W1418-G1421 WeakPolarHBondContact O-CA 3.43Å; W1418-G1421 PolarHBondContact O-N 2.84Å; W1418-G1421 VanDerWaalsContact O-N 3.12Å; W1418-V1422 PolarHBondContact O-N 3.3Å; W1418-V1422 VanDerWaalsContact O-N 3.12Å; W1418-V1447 HydrophobicContact CH2-CG1 3.95Å; W1418-V1447 HydrophobicContact CZ2-CG1 3.5Å; W1418-V1447 HydrophobicContact CZ2-CG2 4.32Å; W1418-H1452 HydrophobicContact CH2-CB 4.14Å; W1418-C1473 WeakPolarHBondContact CA-O 3.37Å; W1418-W1474 AromaticContact CD2-CD1 3.69Å; W1418-W1474 AromaticContact CE2-CD1 3.89Å; W1418-W1474 HydrophobicContact CE3-CB 4.16Å; W1418-W1474 AromaticContact CE3-CD1 3.9Å; W1418-W1474 HydrophobicContact CE3-CG 4.42Å; W1418-W1474 HydrophobicContact CH2-CB 4.25Å; W1418-W1474 HydrophobicContact CZ3-CB 3.89Å; W1418-W1474 HydrophobicContact CZ3-CG 4.43Å; W1418-W1474 WeakPolarHBondContact CZ3-O 3.29Å; W1418-W1474 PolarHBondContact O-NE1 2.87Å |
| 1419 | S | 97.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 5% | 0.049 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.6 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | W1400 S1415 D1416 V1417 G1421 V1422 V1423 | W1400-S1419 WeakPolarHBondContact O-CA 3Å; W1400-S1419 PolarHBondContact O-OG 2.81Å; W1400-S1419 VanDerWaalsContact O-OG 3.05Å; S1415-S1419 PolarHBondContact O-N 2.9Å; S1415-S1419 PolarHBondContact O-OG 2.8Å; D1416-S1419 CarbonylContact O-C 3.45Å; D1416-S1419 WeakPolarHBondContact O-CB 3.37Å; D1416-S1419 PolarHBondContact O-N 2.9Å; V1417-S1419 VanDerWaalsContact C-N 3.3Å; V1417-S1419 PolarHBondContact O-N 2.92Å; S1419-G1421 PolarHBondContact O-N 2.81Å; S1419-V1422 WeakPolarHBondContact O-CA 3.23Å; S1419-V1422 WeakPolarHBondContact O-CB 3.44Å; S1419-V1422 PolarHBondContact O-N 2.03Å; S1419-V1422 VanDerWaalsContact O-N 3.1Å; S1419-V1423 PolarHBondContact O-N 2.96Å |
| 1420 | Y | 97.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 172.8 | 172.4 | -93.9 | 0 | 0 | 0 | 112.3 | A1338 L1341 A1342 L1358 D1416 V1417 W1418 V1422 V1423 L1424 F1484 I1487 | A1338-Y1420 PolarHBondContact O-OH 3.35Å; L1341-Y1420 HydrophobicContact CB-CD2 4.32Å; L1341-Y1420 HydrophobicContact CB-CE2 3.94Å; A1342-Y1420 HydrophobicContact CB-CE2 3.98Å; L1358-Y1420 HydrophobicContact CD2-CD2 4.47Å; D1416-Y1420 PolarHBondContact O-N 2.92Å; V1417-Y1420 WeakPolarHBondContact O-CB 3.01Å; V1417-Y1420 PolarHBondContact O-N 2.94Å; W1418-Y1420 VanDerWaalsContact C-N 3.33Å; W1418-Y1420 PolarHBondContact O-N 2.83Å; Y1420-V1422 VanDerWaalsContact C-N 3.29Å; Y1420-V1422 PolarHBondContact O-N 3.21Å; Y1420-V1423 PolarHBondContact O-N 3.11Å; Y1420-V1423 VanDerWaalsContact O-N 3.09Å; Y1420-L1424 HydrophobicContact CD1-CD1 4.24Å; Y1420-L1424 HydrophobicContact CD1-CG 4.36Å; Y1420-L1424 HydrophobicContact CE1-CD1 3.61Å; Y1420-L1424 HydrophobicContact CE1-CD2 4.36Å; Y1420-L1424 HydrophobicContact CE1-CG 3.95Å; Y1420-L1424 PolarHBondContact O-N 3.14Å; Y1420-F1484 HydrophobicContact CD1-CE1 4.35Å; Y1420-F1484 HydrophobicContact CD2-CE1 4.06Å; Y1420-F1484 AromaticContact CG-CE1 3.82Å; Y1420-F1484 HydrophobicContact CG-CE1 3.82Å; Y1420-I1487 HydrophobicContact CD1-CD1 4.2Å; Y1420-I1487 HydrophobicContact CE1-CD1 4.2Å; Y1420-I1487 HydrophobicContact CE1-CG2 3.81Å |
| 1421 | G | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56.8 | -42.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1417 W1418 S1419 L1424 W1425 W1474 | V1417-G1421 PolarHBondContact O-N 3.18Å; W1418-G1421 WeakPolarHBondContact O-CA 3.43Å; W1418-G1421 PolarHBondContact O-N 2.84Å; W1418-G1421 VanDerWaalsContact O-N 3.12Å; S1419-G1421 PolarHBondContact O-N 2.81Å; G1421-L1424 PolarHBondContact O-N 3.44Å; G1421-W1425 PolarHBondContact O-N 3.1Å; G1421-W1425 VanDerWaalsContact O-N 3.1Å; G1421-W1474 VanDerWaalsContact C-CZ2 3.47Å; G1421-W1474 VanDerWaalsContact O-CZ2 3.26Å; G1421-W1474 WeakPolarHBondContact O-CZ2 3.41Å |
| 1422 | V | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 173.9 | -177 | 0 | 0 | 0 | 0 | 111.7 | W1400 W1418 S1419 Y1420 W1425 E1426 P1434 L1453 | W1400-V1422 HydrophobicContact CG-CG1 4.06Å; W1418-V1422 PolarHBondContact O-N 3.3Å; W1418-V1422 VanDerWaalsContact O-N 3.12Å; S1419-V1422 WeakPolarHBondContact O-CA 3.23Å; S1419-V1422 WeakPolarHBondContact O-CB 3.44Å; S1419-V1422 PolarHBondContact O-N 2.03Å; S1419-V1422 VanDerWaalsContact O-N 3.1Å; Y1420-V1422 VanDerWaalsContact C-N 3.29Å; Y1420-V1422 PolarHBondContact O-N 3.21Å; V1422-W1425 CarbonylContact O-C 3.51Å; V1422-W1425 WeakPolarHBondContact O-CB 3.34Å; V1422-W1425 PolarHBondContact O-N 3.17Å; V1422-W1425 VanDerWaalsContact O-N 3.15Å; V1422-E1426 PolarHBondContact O-N 3Å; V1422-P1434 HydrophobicContact CG1-CB 4.05Å; V1422-P1434 HydrophobicContact CG1-CG 3.72Å; V1422-L1453 HydrophobicContact CB-CD1 4.28Å; V1422-L1453 HydrophobicContact CG1-CD1 3.9Å; V1422-L1453 HydrophobicContact CG2-CD1 3.93Å |
| 1423 | V | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 174.4 | 179 | 0 | 0 | 0 | 0 | 112.3 | L1341 L1358 A1360 S1419 Y1420 W1425 E1426 I1427 | L1341-V1423 HydrophobicContact CD1-CG1 3.71Å; L1358-V1423 HydrophobicContact CG-CG2 4.15Å; A1360-V1423 HydrophobicContact CB-CG1 4.34Å; S1419-V1423 PolarHBondContact O-N 2.96Å; Y1420-V1423 PolarHBondContact O-N 3.11Å; Y1420-V1423 VanDerWaalsContact O-N 3.09Å; V1423-W1425 VanDerWaalsContact C-N 3.27Å; V1423-W1425 PolarHBondContact O-N 2.72Å; V1423-E1426 PolarHBondContact O-N 3.36Å; V1423-I1427 HydrophobicContact CG1-CD1 4.43Å; V1423-I1427 WeakPolarHBondContact O-CG1 3.4Å; V1423-I1427 PolarHBondContact O-N 3.2Å |
| 1424 | L | 94.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 171.9 | -66.2 | -174.6 | 0 | 0 | 0 | 111.7 | A1338 Y1420 G1421 I1427 A1428 L1466 L1469 M1470 | A1338-L1424 HydrophobicContact CB-CD2 3.69Å; Y1420-L1424 HydrophobicContact CD1-CD1 4.24Å; Y1420-L1424 HydrophobicContact CD1-CG 4.36Å; Y1420-L1424 HydrophobicContact CE1-CD1 3.61Å; Y1420-L1424 HydrophobicContact CE1-CD2 4.36Å; Y1420-L1424 HydrophobicContact CE1-CG 3.95Å; Y1420-L1424 PolarHBondContact O-N 3.14Å; G1421-L1424 PolarHBondContact O-N 3.44Å; L1424-I1427 WeakPolarHBondContact O-CB 3.47Å; L1424-I1427 PolarHBondContact O-N 2.81Å; L1424-A1428 PolarHBondContact O-N 3.43Å; L1424-L1466 HydrophobicContact CD1-CD2 4.49Å; L1424-L1466 HydrophobicContact CD2-CD2 4.38Å; L1424-L1469 HydrophobicContact CD1-CB 4.29Å; L1424-M1470 HydrophobicContact CB-CE 3.98Å; L1424-M1470 HydrophobicContact CB-CG 3.67Å; L1424-M1470 HydrophobicContact CB-SD 4.36Å; L1424-M1470 HydrophobicContact CD1-CG 4.22Å |
| 1425 | W | 91.9 | Very high | 92 | Very high | 10 Ų | 10 | 11.6 Ų | 11.6 | 4% | 0.038 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -72.2 | -34.5 | 173.6 | -175 | 97.9 | 0 | 0 | 0 | 113.1 | G1421 V1422 V1423 I1427 A1428 T1429 P1434 L1453 N1454 M1470 W1474 | G1421-W1425 PolarHBondContact O-N 3.1Å; G1421-W1425 VanDerWaalsContact O-N 3.1Å; V1422-W1425 CarbonylContact O-C 3.51Å; V1422-W1425 WeakPolarHBondContact O-CB 3.34Å; V1422-W1425 PolarHBondContact O-N 3.17Å; V1422-W1425 VanDerWaalsContact O-N 3.15Å; V1423-W1425 VanDerWaalsContact C-N 3.27Å; V1423-W1425 PolarHBondContact O-N 2.72Å; W1425-I1427 VanDerWaalsContact C-N 3.33Å; W1425-A1428 WeakPolarHBondContact O-CB 3.35Å; W1425-A1428 PolarHBondContact O-N 3.15Å; W1425-T1429 HydrophobicContact CD2-CG2 3.88Å; W1425-T1429 HydrophobicContact CE3-CG2 4.21Å; W1425-T1429 HydrophobicContact CG-CG2 4.47Å; W1425-T1429 HydrophobicContact CH2-CG2 4.07Å; W1425-T1429 HydrophobicContact CZ2-CG2 3.74Å; W1425-T1429 HydrophobicContact CZ3-CG2 4.29Å; W1425-T1429 WeakPolarHBondContact CZ3-OG1 3.17Å; W1425-T1429 WeakPolarHBondContact O-CB 3.31Å; W1425-T1429 WeakPolarHBondContact O-CG2 3.24Å; W1425-T1429 PolarHBondContact O-N 3.02Å; W1425-T1429 PolarHBondContact O-OG1 2.84Å; W1425-P1434 HydrophobicContact CE3-CB 4.44Å; W1425-P1434 HydrophobicContact CE3-CG 4.31Å; W1425-P1434 HydrophobicContact CZ3-CB 4.1Å; W1425-P1434 HydrophobicContact CZ3-CG 4.03Å; W1425-L1453 HydrophobicContact CB-CD1 4.1Å; W1425-L1453 HydrophobicContact CD2-CB 4.4Å; W1425-L1453 HydrophobicContact CD2-CD1 3.8Å; W1425-L1453 HydrophobicContact CD2-CD2 4.43Å; W1425-L1453 HydrophobicContact CD2-CG 4.44Å; W1425-L1453 HydrophobicContact CE3-CD1 4.06Å; W1425-L1453 HydrophobicContact CG-CB 4.19Å; W1425-L1453 HydrophobicContact CG-CD1 3.84Å; W1425-L1453 HydrophobicContact CH2-CD2 4.49Å; W1425-L1453 HydrophobicContact CZ2-CD2 4.21Å; W1425-N1454 PolarHBondContact NE1-O 2.89Å; W1425-M1470 HydrophobicContact CB-SD 4.18Å; W1425-W1474 HydrophobicContact CB-CH2 3.89Å; W1425-W1474 HydrophobicContact CB-CZ2 4.01Å; W1425-W1474 AromaticContact CD1-CH2 3.97Å; W1425-W1474 HydrophobicContact CG-CH2 4.2Å |
| 1426 | E | 92.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 170.2 | -73.9 | -174 | 101.5 | 0 | 0 | 110.6 | A1360 W1400 V1422 V1423 T1429 F1430 A1431 P1434 | A1360-E1426 HydrophobicContact CB-CB 3.79Å; A1360-E1426 HydrophobicContact CB-CG 4.28Å; A1360-E1426 WeakPolarHBondContact CB-OE2 3.35Å; A1360-E1426 PolarHBondContact N-OE2 2.94Å; W1400-E1426 PolarHBondContact NE1-OE2 3.13Å; V1422-E1426 PolarHBondContact O-N 3Å; V1423-E1426 PolarHBondContact O-N 3.36Å; E1426-T1429 PolarHBondContact O-N 2.87Å; E1426-F1430 PolarHBondContact O-N 3Å; E1426-F1430 VanDerWaalsContact O-N 3.14Å; E1426-A1431 HydrophobicContact CB-CB 4.48Å; E1426-A1431 WeakPolarHBondContact O-CA 3.31Å; E1426-A1431 PolarHBondContact O-N 2.84Å; E1426-P1434 HydrophobicContact CG-CG 4.31Å |
| 1427 | I | 89.6 | Confident | 90.6 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60 | -46 | 170.6 | -67.9 | 167.4 | 0 | 0 | 0 | 110.2 | L1311 L1315 I1329 A1334 W1337 V1423 L1424 W1425 T1429 | L1311-I1427 HydrophobicContact CD2-CD1 4.17Å; L1311-I1427 HydrophobicContact CD2-CG1 4.04Å; L1315-I1427 HydrophobicContact CD1-CG1 4.36Å; I1329-I1427 HydrophobicContact CD1-CG2 3.75Å; I1329-I1427 WeakPolarHBondContact CD1-O 3.46Å; A1334-I1427 HydrophobicContact CB-CG2 4.31Å; W1337-I1427 HydrophobicContact CB-CD1 4.33Å; W1337-I1427 HydrophobicContact CE3-CD1 4.44Å; W1337-I1427 HydrophobicContact CE3-CG2 4.43Å; V1423-I1427 HydrophobicContact CG1-CD1 4.43Å; V1423-I1427 WeakPolarHBondContact O-CG1 3.4Å; V1423-I1427 PolarHBondContact O-N 3.2Å; L1424-I1427 WeakPolarHBondContact O-CB 3.47Å; L1424-I1427 PolarHBondContact O-N 2.81Å; W1425-I1427 VanDerWaalsContact C-N 3.33Å; I1427-T1429 VanDerWaalsContact C-N 3.28Å; I1427-T1429 PolarHBondContact O-N 2.8Å |
| 1428 | A | 82.9 | Confident | 90 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.1 | -36.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1424 W1425 L1455 L1462 M1470 | L1424-A1428 PolarHBondContact O-N 3.43Å; W1425-A1428 WeakPolarHBondContact O-CB 3.35Å; W1425-A1428 PolarHBondContact O-N 3.15Å; A1428-L1455 HydrophobicContact CB-CD2 4.11Å; A1428-L1462 HydrophobicContact CB-CD1 3.3Å; A1428-M1470 HydrophobicContact CB-CE 4.14Å |
| 1429 | T | 81.9 | Confident | 89.3 | Confident | 11 Ų | 11 | 23.3 Ų | 23.3 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 18.5 | -169.1 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | W1425 E1426 I1427 A1431 S1432 P1456 | W1425-T1429 HydrophobicContact CD2-CG2 3.88Å; W1425-T1429 HydrophobicContact CE3-CG2 4.21Å; W1425-T1429 HydrophobicContact CG-CG2 4.47Å; W1425-T1429 HydrophobicContact CH2-CG2 4.07Å; W1425-T1429 HydrophobicContact CZ2-CG2 3.74Å; W1425-T1429 HydrophobicContact CZ3-CG2 4.29Å; W1425-T1429 WeakPolarHBondContact CZ3-OG1 3.17Å; W1425-T1429 WeakPolarHBondContact O-CB 3.31Å; W1425-T1429 WeakPolarHBondContact O-CG2 3.24Å; W1425-T1429 PolarHBondContact O-N 3.02Å; W1425-T1429 PolarHBondContact O-OG1 2.84Å; E1426-T1429 PolarHBondContact O-N 2.87Å; I1427-T1429 VanDerWaalsContact C-N 3.28Å; I1427-T1429 PolarHBondContact O-N 2.8Å; T1429-A1431 PolarHBondContact O-N 2.89Å; T1429-S1432 WeakPolarHBondContact O-CB 3.34Å; T1429-S1432 PolarHBondContact O-N 3.3Å; T1429-S1432 VanDerWaalsContact O-N 3.11Å; T1429-S1432 PolarHBondContact O-OG 2.9Å; T1429-P1456 HydrophobicContact CG2-CG 4.08Å |
| 1430 | F | 84.6 | Confident | 88.7 | Confident | 31 Ų | 31 | 27.1 Ų | 27.1 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 39.6 | -177.6 | -67.6 | -93.1 | 0 | 0 | 0 | 113.7 | R1316 Q1318 M1319 G1327 I1329 E1426 | R1316-F1430 WeakPolarHBondContact CG-O 3Å; Q1318-F1430 HydrophobicContact CB-CE1 4.47Å; M1319-F1430 HydrophobicContact CB-CB 4.11Å; M1319-F1430 HydrophobicContact CB-CD1 4.26Å; M1319-F1430 HydrophobicContact CB-CG 4.33Å; M1319-F1430 HydrophobicContact CG-CB 3.89Å; M1319-F1430 HydrophobicContact CG-CD1 4.49Å; M1319-F1430 HydrophobicContact CG-CG 4.13Å; M1319-F1430 HydrophobicContact SD-CB 3.56Å; M1319-F1430 VanDerWaalsContact SD-CB 3.56Å; M1319-F1430 HydrophobicContact SD-CG 4.37Å; G1327-F1430 VanDerWaalsContact O-CE2 3.29Å; G1327-F1430 WeakPolarHBondContact O-CE2 3.1Å; G1327-F1430 VanDerWaalsContact O-CZ 3.27Å; G1327-F1430 WeakPolarHBondContact O-CZ 3.46Å; I1329-F1430 HydrophobicContact CD1-CE1 4.34Å; I1329-F1430 HydrophobicContact CG1-CD1 4.41Å; I1329-F1430 HydrophobicContact CG1-CE1 3.72Å; I1329-F1430 HydrophobicContact CG1-CZ 3.91Å; E1426-F1430 PolarHBondContact O-N 3Å; E1426-F1430 VanDerWaalsContact O-N 3.14Å |
| 1431 | A | 88.6 | Confident | 88 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 55.1 | 48.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1312 L1315 R1316 E1426 T1429 | A1312-A1431 VanDerWaalsContact CA-CB 3.49Å; A1312-A1431 HydrophobicContact CB-CB 3.55Å; L1315-A1431 HydrophobicContact CB-CB 4.21Å; L1315-A1431 HydrophobicContact CD1-CB 4Å; R1316-A1431 HydrophobicContact CG-CB 4.43Å; R1316-A1431 VanDerWaalsContact CZ-O 3.3Å; R1316-A1431 PolarHBondContact NE-O 2.77Å; R1316-A1431 PolarHBondContact NH2-O 2.82Å; E1426-A1431 HydrophobicContact CB-CB 4.48Å; E1426-A1431 WeakPolarHBondContact O-CA 3.31Å; E1426-A1431 PolarHBondContact O-N 2.84Å; T1429-A1431 PolarHBondContact O-N 2.89Å |
| 1432 | S | 85.5 | Confident | 87.7 | Confident | 52 Ų | 52 | 34.1 Ų | 34.1 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 157.9 | 158.9 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | T1429 P1434 | T1429-S1432 WeakPolarHBondContact O-CB 3.34Å; T1429-S1432 PolarHBondContact O-N 3.3Å; T1429-S1432 VanDerWaalsContact O-N 3.11Å; T1429-S1432 PolarHBondContact O-OG 2.9Å; S1432-P1434 WeakPolarHBondContact O-CD 3.3Å |
| 1433 | L | 87.6 | Confident | 87.4 | Confident | 92 Ų | 92 | 34.1 Ų | 34.1 | 48% | 0.482 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -69.5 | 124.4 | 176.7 | -178.7 | 68.4 | 0 | 0 | 0 | 109.9 | P1436 | L1433-P1436 WeakPolarHBondContact O-CD 3.37Š|
| 1434 | P | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -63.4 | 140.5 | 174.2 | -20.3 | 32.3 | 0 | 0 | 0 | 111.6 | R1399 W1400 V1422 W1425 E1426 S1432 L1453 | R1399-P1434 HydrophobicContact CB-CB 4.29Å; R1399-P1434 WeakPolarHBondContact CD-O 3.45Å; R1399-P1434 PolarHBondContact NH1-O 3.14Å; W1400-P1434 HydrophobicContact CZ2-CG 4.03Å; V1422-P1434 HydrophobicContact CG1-CB 4.05Å; V1422-P1434 HydrophobicContact CG1-CG 3.72Å; W1425-P1434 HydrophobicContact CE3-CB 4.44Å; W1425-P1434 HydrophobicContact CE3-CG 4.31Å; W1425-P1434 HydrophobicContact CZ3-CB 4.1Å; W1425-P1434 HydrophobicContact CZ3-CG 4.03Å; E1426-P1434 HydrophobicContact CG-CG 4.31Å; S1432-P1434 WeakPolarHBondContact O-CD 3.3Å; P1434-L1453 HydrophobicContact CB-CD1 4.09Å; P1434-L1453 HydrophobicContact CB-CD2 3.98Å |
| 1435 | Y | 91.2 | Very high | 86.9 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 52.3 | 58.2 | -172.7 | -49.3 | -77.8 | 0 | 0 | 0 | 113 | R1399 G1437 L1438 V1443 F1446 V1447 L1453 | R1399-Y1435 HydrophobicContact CB-CD2 4.4Å; R1399-Y1435 PolarHBondContact NH1-O 3.16Å; R1399-Y1435 WeakPolarHBondContact O-CE2 3.5Å; Y1435-G1437 PolarHBondContact O-N 3.01Å; Y1435-L1438 PolarHBondContact O-N 2.88Å; Y1435-V1443 VanDerWaalsContact CB-CG2 3.46Å; Y1435-V1443 HydrophobicContact CD2-CG1 3.75Å; Y1435-V1443 HydrophobicContact CD2-CG2 4.01Å; Y1435-V1443 HydrophobicContact CE2-CG1 4.08Å; Y1435-V1443 HydrophobicContact CG-CG1 4.27Å; Y1435-V1443 HydrophobicContact CG-CG2 3.85Å; Y1435-F1446 HydrophobicContact CD1-CD1 4.01Å; Y1435-F1446 HydrophobicContact CD1-CE1 4.08Å; Y1435-F1446 AromaticContact CE1-CD1 3.84Å; Y1435-F1446 HydrophobicContact CE1-CD1 3.84Å; Y1435-F1446 AromaticContact CE1-CE1 3.78Å; Y1435-F1446 HydrophobicContact CE1-CE1 3.78Å; Y1435-V1447 HydrophobicContact CE1-CG2 4.2Å; Y1435-V1447 HydrophobicContact CE2-CG2 4.22Å; Y1435-L1453 HydrophobicContact CD1-CD2 3.62Å; Y1435-L1453 HydrophobicContact CD1-CG 4.36Å; Y1435-L1453 HydrophobicContact CD2-CD2 3.91Å; Y1435-L1453 HydrophobicContact CE1-CD2 3.57Å; Y1435-L1453 HydrophobicContact CE1-CG 3.79Å; Y1435-L1453 HydrophobicContact CE2-CD2 3.88Å; Y1435-L1453 HydrophobicContact CE2-CG 4.05Å; Y1435-L1453 HydrophobicContact CG-CD2 3.78Å; Y1435-L1453 VanDerWaalsContact N-CD2 3.34Å |
| 1436 | P | 81.8 | Confident | 87 | Confident | 92 Ų | 92 | 45.2 Ų | 45.2 | 60% | 0.597 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 135.8 | -176 | 29.6 | -34 | 0 | 0 | 0 | 110.6 | L1433 | L1433-P1436 WeakPolarHBondContact O-CD 3.37Š|
| 1437 | G | 79.5 | Confident | 87.1 | Confident | 82 Ų | 82 | 45.1 Ų | 45.1 | 85% | 0.845 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -27.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y1435 | Y1435-G1437 PolarHBondContact O-N 3.01Š|
| 1438 | L | 86.3 | Confident | 87.2 | Confident | 55 Ų | 55 | 47 Ų | 47 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | trans | -82.5 | 142.8 | 176.4 | -57.8 | -171.8 | 0 | 0 | 0 | 111.9 | R1399 Y1435 E1442 V1443 F1446 | R1399-L1438 PolarHBondContact NH1-O 2.74Å; R1399-L1438 PolarHBondContact NH2-O 3.33Å; Y1435-L1438 PolarHBondContact O-N 2.88Å; L1438-E1442 HydrophobicContact CB-CB 3.99Å; L1438-E1442 HydrophobicContact CD2-CB 4.28Å; L1438-V1443 HydrophobicContact CB-CG2 3.8Å; L1438-V1443 HydrophobicContact CD1-CG2 4.37Å; L1438-F1446 HydrophobicContact CD1-CB 4.28Å; L1438-F1446 HydrophobicContact CD1-CG 4.35Å | ||
| 1439 | S | 82.8 | Confident | 87.7 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | trans | -71.3 | 173 | 166.2 | 64.2 | 0 | 0 | 0 | 0 | 112.3 | E1441 E1442 V1443 | S1439-E1441 VanDerWaalsContact C-N 3.33Å; S1439-E1442 WeakPolarHBondContact CB-OE2 3.1Å; S1439-E1442 PolarHBondContact N-OE2 2.83Å; S1439-E1442 PolarHBondContact O-N 2.91Å; S1439-E1442 WeakPolarHBondContact OG-CG 3.34Å; S1439-E1442 PolarHBondContact OG-N 3.42Å; S1439-E1442 PolarHBondContact OG-OE2 2.8Å; S1439-V1443 WeakPolarHBondContact O-CB 3.4Å; S1439-V1443 VanDerWaalsContact O-CG2 3.26Å; S1439-V1443 WeakPolarHBondContact O-CG2 3.45Å; S1439-V1443 PolarHBondContact O-N 3.35Å | ||
| 1440 | H | 84.1 | Confident | 88.1 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 176.6 | -68.7 | 157.9 | 0 | 0 | 0 | 111.9 | V1398 R1399 V1443 M1444 | V1398-H1440 HydrophobicContact CB-CB 4.38Å; V1398-H1440 HydrophobicContact CG1-CB 4.09Å; V1398-H1440 HydrophobicContact CG2-CB 4.41Å; R1399-H1440 PolarHBondContact NE-CD2 3.08Å; R1399-H1440 PolarHBondContact NE-NE2 2.94Å; R1399-H1440 VanDerWaalsContact NE-NE2 3.16Å; R1399-H1440 PolarHBondContact NH2-CD2 3.3Å; H1440-V1443 PolarHBondContact O-N 2.86Å; H1440-M1444 WeakPolarHBondContact O-CG 3.19Å; H1440-M1444 PolarHBondContact O-N 3.18Å |
| 1441 | E | 84.8 | Confident | 88.4 | Confident | 91 Ų | 91 | 53 Ų | 53 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 173.2 | -55.4 | 79.6 | -97.8 | 0 | 0 | 111.9 | R467 S1439 M1444 K1445 | R467-E1441 IonicContact CZ-OE2 3.26Å; R467-E1441 IonicContact NH1-OE2 2.78Å; R467-E1441 PolarHBondContact NH1-OE2 3.21Å; R467-E1441 IonicContact NH2-OE2 3.5Å; R467-E1441 PolarHBondContact NH2-OE2 3.44Å; S1439-E1441 VanDerWaalsContact C-N 3.33Å; E1441-M1444 PolarHBondContact O-N 2.75Å; E1441-K1445 PolarHBondContact O-N 2.74Å; E1441-K1445 VanDerWaalsContact O-N 3.08Å |
| 1442 | E | 89.4 | Confident | 88.6 | Confident | 57 Ų | 57 | 56 Ų | 56 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.9 | -34.6 | 176.7 | -71 | 161.9 | 119.6 | 0 | 0 | 112.7 | L1438 S1439 F1446 | L1438-E1442 HydrophobicContact CB-CB 3.99Å; L1438-E1442 HydrophobicContact CD2-CB 4.28Å; S1439-E1442 WeakPolarHBondContact CB-OE2 3.1Å; S1439-E1442 PolarHBondContact N-OE2 2.83Å; S1439-E1442 PolarHBondContact O-N 2.91Å; S1439-E1442 WeakPolarHBondContact OG-CG 3.34Å; S1439-E1442 PolarHBondContact OG-N 3.42Å; S1439-E1442 PolarHBondContact OG-OE2 2.8Å; E1442-F1446 WeakPolarHBondContact O-CB 3.16Å; E1442-F1446 PolarHBondContact O-N 2.7Å |
| 1443 | V | 89.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 173.3 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | V1398 R1399 Y1435 L1438 S1439 H1440 K1445 F1446 V1447 | V1398-V1443 HydrophobicContact CG1-CG1 4.2Å; R1399-V1443 HydrophobicContact CG-CG1 4.47Å; R1399-V1443 HydrophobicContact CG-CG2 4.5Å; Y1435-V1443 VanDerWaalsContact CB-CG2 3.46Å; Y1435-V1443 HydrophobicContact CD2-CG1 3.75Å; Y1435-V1443 HydrophobicContact CD2-CG2 4.01Å; Y1435-V1443 HydrophobicContact CE2-CG1 4.08Å; Y1435-V1443 HydrophobicContact CG-CG1 4.27Å; Y1435-V1443 HydrophobicContact CG-CG2 3.85Å; L1438-V1443 HydrophobicContact CB-CG2 3.8Å; L1438-V1443 HydrophobicContact CD1-CG2 4.37Å; S1439-V1443 WeakPolarHBondContact O-CB 3.4Å; S1439-V1443 VanDerWaalsContact O-CG2 3.26Å; S1439-V1443 WeakPolarHBondContact O-CG2 3.45Å; S1439-V1443 PolarHBondContact O-N 3.35Å; H1440-V1443 PolarHBondContact O-N 2.86Å; V1443-K1445 VanDerWaalsContact C-N 3.32Å; V1443-K1445 PolarHBondContact O-N 2.86Å; V1443-F1446 PolarHBondContact O-N 2.83Å; V1443-V1447 HydrophobicContact CG1-CG2 4.29Å; V1443-V1447 WeakPolarHBondContact O-CB 3.17Å; V1443-V1447 WeakPolarHBondContact O-CG2 3.34Å; V1443-V1447 PolarHBondContact O-N 3.28Å |
| 1444 | M | 90.2 | Very high | 88.6 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 176.2 | -72.3 | -172.8 | -64.1 | 0 | 0 | 111 | V1398 L1406 H1440 E1441 C1448 | V1398-M1444 HydrophobicContact CG1-CG 3.6Å; V1398-M1444 HydrophobicContact CG1-SD 4.32Å; L1406-M1444 HydrophobicContact CD2-CG 3.99Å; H1440-M1444 WeakPolarHBondContact O-CG 3.19Å; H1440-M1444 PolarHBondContact O-N 3.18Å; E1441-M1444 PolarHBondContact O-N 2.75Å; M1444-C1448 VanDerWaalsContact O-CB 3.31Å; M1444-C1448 WeakPolarHBondContact O-CB 3.2Å; M1444-C1448 PolarHBondContact O-N 3.03Å; M1444-C1448 PolarHBondContact O-SG 2.94Å; M1444-C1448 VanDerWaalsContact O-SG 3.35Å |
| 1445 | K | 90.4 | Very high | 87.5 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -53.8 | 176.2 | -176.2 | 168.2 | -173.5 | 168.8 | 0 | 112.3 | E1441 V1443 V1447 C1448 D1449 | E1441-K1445 PolarHBondContact O-N 2.74Å; E1441-K1445 VanDerWaalsContact O-N 3.08Å; V1443-K1445 VanDerWaalsContact C-N 3.32Å; V1443-K1445 PolarHBondContact O-N 2.86Å; K1445-V1447 VanDerWaalsContact C-N 3.3Å; K1445-V1447 PolarHBondContact O-N 2.91Å; K1445-C1448 PolarHBondContact O-N 2.91Å; K1445-D1449 VanDerWaalsContact CG-OD2 3.26Å; K1445-D1449 WeakPolarHBondContact CG-OD2 3.39Å; K1445-D1449 VanDerWaalsContact O-CB 3.27Å; K1445-D1449 WeakPolarHBondContact O-CB 3.31Å; K1445-D1449 VanDerWaalsContact O-CG 3.22Å; K1445-D1449 PolarHBondContact O-N 2.82Å |
| 1446 | F | 93.9 | Very high | 86 | Confident | 81 Ų | 81 | 61 Ų | 61 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.8 | -41.9 | -178.1 | 179 | -101.6 | 0 | 0 | 0 | 112.6 | Y1435 L1438 E1442 V1443 G1451 H1452 | Y1435-F1446 HydrophobicContact CD1-CD1 4.01Å; Y1435-F1446 HydrophobicContact CD1-CE1 4.08Å; Y1435-F1446 AromaticContact CE1-CD1 3.84Å; Y1435-F1446 HydrophobicContact CE1-CD1 3.84Å; Y1435-F1446 AromaticContact CE1-CE1 3.78Å; Y1435-F1446 HydrophobicContact CE1-CE1 3.78Å; L1438-F1446 HydrophobicContact CD1-CB 4.28Å; L1438-F1446 HydrophobicContact CD1-CG 4.35Å; E1442-F1446 WeakPolarHBondContact O-CB 3.16Å; E1442-F1446 PolarHBondContact O-N 2.7Å; V1443-F1446 PolarHBondContact O-N 2.83Å; F1446-G1451 VanDerWaalsContact O-CA 3.25Å; F1446-G1451 WeakPolarHBondContact O-CA 3.47Å; F1446-G1451 PolarHBondContact O-N 2.84Å; F1446-H1452 WeakPolarHBondContact CE1-O 3.49Å |
| 1447 | V | 94 | Very high | 84.6 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -73.2 | -41.2 | 179.2 | 173.1 | 0 | 0 | 0 | 0 | 112 | P1403 L1406 W1418 Y1435 V1443 K1445 D1449 G1450 G1451 F1476 | P1403-V1447 HydrophobicContact CB-CG1 3.99Å; P1403-V1447 HydrophobicContact CG-CG1 4.44Å; L1406-V1447 HydrophobicContact CD1-CB 3.96Å; L1406-V1447 HydrophobicContact CD1-CG1 3.84Å; W1418-V1447 HydrophobicContact CH2-CG1 3.95Å; W1418-V1447 HydrophobicContact CZ2-CG1 3.5Å; W1418-V1447 HydrophobicContact CZ2-CG2 4.32Å; Y1435-V1447 HydrophobicContact CE1-CG2 4.2Å; Y1435-V1447 HydrophobicContact CE2-CG2 4.22Å; V1443-V1447 HydrophobicContact CG1-CG2 4.29Å; V1443-V1447 WeakPolarHBondContact O-CB 3.17Å; V1443-V1447 WeakPolarHBondContact O-CG2 3.34Å; V1443-V1447 PolarHBondContact O-N 3.28Å; K1445-V1447 VanDerWaalsContact C-N 3.3Å; K1445-V1447 PolarHBondContact O-N 2.91Å; V1447-D1449 VanDerWaalsContact C-N 3.33Å; V1447-G1450 PolarHBondContact O-N 2.94Å; V1447-G1451 WeakPolarHBondContact CA-O 3.16Å; V1447-F1476 WeakPolarHBondContact O-CE2 3.35Å |
| 1448 | C | 92.6 | Very high | 83.1 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 28% | 0.277 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71 | -26.5 | 175.8 | -69.1 | 0 | 0 | 0 | 0 | 113.5 | M1444 K1445 G1450 F1476 | M1444-C1448 VanDerWaalsContact O-CB 3.31Å; M1444-C1448 WeakPolarHBondContact O-CB 3.2Å; M1444-C1448 PolarHBondContact O-N 3.03Å; M1444-C1448 PolarHBondContact O-SG 2.94Å; M1444-C1448 VanDerWaalsContact O-SG 3.35Å; K1445-C1448 PolarHBondContact O-N 2.91Å; C1448-G1450 PolarHBondContact O-N 3.2Å; C1448-F1476 WeakPolarHBondContact O-CE2 3.31Å; C1448-F1476 WeakPolarHBondContact O-CZ 3.27Å |
| 1449 | D | 92.4 | Very high | 81.2 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 65% | 0.647 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 6 | 171.9 | -69.1 | -13.4 | 0 | 0 | 0 | 112.5 | K1445 V1447 | K1445-D1449 VanDerWaalsContact CG-OD2 3.26Å; K1445-D1449 WeakPolarHBondContact CG-OD2 3.39Å; K1445-D1449 VanDerWaalsContact O-CB 3.27Å; K1445-D1449 WeakPolarHBondContact O-CB 3.31Å; K1445-D1449 VanDerWaalsContact O-CG 3.22Å; K1445-D1449 PolarHBondContact O-N 2.82Å; V1447-D1449 VanDerWaalsContact C-N 3.33Å |
| 1450 | G | 90.8 | Very high | 80 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | 3.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | V1447 C1448 | V1447-G1450 PolarHBondContact O-N 2.94Å; C1448-G1450 PolarHBondContact O-N 3.2Å |
| 1451 | G | 91.2 | Very high | 78.9 | Confident | 14 Ų | 14 | 71 Ų | 71 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | trans | -80 | 150.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1446 V1447 | F1446-G1451 VanDerWaalsContact O-CA 3.25Å; F1446-G1451 WeakPolarHBondContact O-CA 3.47Å; F1446-G1451 PolarHBondContact O-N 2.84Å; V1447-G1451 WeakPolarHBondContact CA-O 3.16Å | ||
| 1452 | H | 92.6 | Very high | 78.1 | Confident | 63 Ų | 63 | 68 Ų | 68 | 29% | 0.292 | 37% | 0.369 | S | S | . | . | trans | -139.4 | 178.8 | 172.9 | 60.2 | 75.1 | 0 | 0 | 0 | 110.9 | W1418 F1446 W1474 | W1418-H1452 HydrophobicContact CH2-CB 4.14Å; F1446-H1452 WeakPolarHBondContact CE1-O 3.49Å; H1452-W1474 HydrophobicContact CB-CB 3.83Å; H1452-W1474 HydrophobicContact CB-CD2 4.13Å; H1452-W1474 HydrophobicContact CB-CE3 4.13Å; H1452-W1474 HydrophobicContact CB-CG 4.03Å; H1452-W1474 AromaticContact ND1-CE3 3.65Å | ||
| 1453 | L | 90.6 | Very high | 77.4 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -67 | 141.3 | 179.3 | -66.9 | 164.2 | 0 | 0 | 0 | 111.3 | V1422 W1425 P1434 Y1435 W1474 | V1422-L1453 HydrophobicContact CB-CD1 4.28Å; V1422-L1453 HydrophobicContact CG1-CD1 3.9Å; V1422-L1453 HydrophobicContact CG2-CD1 3.93Å; W1425-L1453 HydrophobicContact CB-CD1 4.1Å; W1425-L1453 HydrophobicContact CD2-CB 4.4Å; W1425-L1453 HydrophobicContact CD2-CD1 3.8Å; W1425-L1453 HydrophobicContact CD2-CD2 4.43Å; W1425-L1453 HydrophobicContact CD2-CG 4.44Å; W1425-L1453 HydrophobicContact CE3-CD1 4.06Å; W1425-L1453 HydrophobicContact CG-CB 4.19Å; W1425-L1453 HydrophobicContact CG-CD1 3.84Å; W1425-L1453 HydrophobicContact CH2-CD2 4.49Å; W1425-L1453 HydrophobicContact CZ2-CD2 4.21Å; P1434-L1453 HydrophobicContact CB-CD1 4.09Å; P1434-L1453 HydrophobicContact CB-CD2 3.98Å; Y1435-L1453 HydrophobicContact CD1-CD2 3.62Å; Y1435-L1453 HydrophobicContact CD1-CG 4.36Å; Y1435-L1453 HydrophobicContact CD2-CD2 3.91Å; Y1435-L1453 HydrophobicContact CE1-CD2 3.57Å; Y1435-L1453 HydrophobicContact CE1-CG 3.79Å; Y1435-L1453 HydrophobicContact CE2-CD2 3.88Å; Y1435-L1453 HydrophobicContact CE2-CG 4.05Å; Y1435-L1453 HydrophobicContact CG-CD2 3.78Å; Y1435-L1453 VanDerWaalsContact N-CD2 3.34Å; L1453-W1474 HydrophobicContact CB-CH2 3.67Å; L1453-W1474 HydrophobicContact CB-CZ2 4Å; L1453-W1474 HydrophobicContact CB-CZ3 4.07Å; L1453-W1474 HydrophobicContact CD1-CH2 4.28Å; L1453-W1474 HydrophobicContact CD1-CZ2 3.86Å; L1453-W1474 HydrophobicContact CG-CZ2 4.42Å; L1453-W1474 VanDerWaalsContact O-CZ3 3.32Å; L1453-W1474 WeakPolarHBondContact O-CZ3 3.39Å |
| 1454 | N | 81.1 | Confident | 77.1 | Confident | 121 Ų | 121 | 71 Ų | 71 | 65% | 0.647 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -103.5 | 151.6 | 169 | -72.7 | -45.1 | 0 | 0 | 0 | 110.1 | W1425 | W1425-N1454 PolarHBondContact NE1-O 2.89Š|
| 1455 | L | 68.9 | Low | 76.9 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 143.1 | 171.1 | -67.4 | 159.3 | 0 | 0 | 0 | 109.7 | A1428 L1467 M1470 | A1428-L1455 HydrophobicContact CB-CD2 4.11Å; L1455-L1467 HydrophobicContact CD1-CB 4.5Å; L1455-L1467 HydrophobicContact CD1-CD1 4.21Å; L1455-L1467 HydrophobicContact CD1-CD2 3.83Å; L1455-L1467 HydrophobicContact CD1-CG 4.4Å; L1455-L1467 HydrophobicContact CD2-CD2 4.36Å; L1455-M1470 HydrophobicContact CD2-SD 4.25Å |
| 1456 | P | 58.7 | Low | 76.8 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -63 | 154.5 | 174.6 | -21.7 | 33.6 | 0 | 0 | 0 | 112.8 | T1429 C1458 | T1429-P1456 HydrophobicContact CG2-CG 4.08Å; P1456-C1458 PolarHBondContact O-N 3.2Å |
| 1457 | E | 52.4 | Low | 76.4 | Confident | 205 Ų | 205 | 62.9 Ų | 62.9 | 96% | 0.958 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -62.5 | -12.8 | 176.1 | -61.4 | -175.8 | 144.2 | 0 | 0 | 114.3 | ||
| 1458 | C | 48 | Very low | 76.2 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -79 | 127.9 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | P1456 T1460 | P1456-C1458 PolarHBondContact O-N 3.2Å; C1458-T1460 PolarHBondContact O-N 2.78Å |
| 1459 | P | 46.7 | Very low | 76.2 | Confident | 118 Ų | 118 | 63.5 Ų | 63.5 | 77% | 0.766 | 36% | 0.36 | S | S | * | . | trans | -65 | 101.8 | -171.8 | 24.9 | -35.1 | 0 | 0 | 0 | 113 | K1461 | P1459-K1461 PolarHBondContact O-N 3.09Š| ||
| 1460 | T | 57.1 | Low | 76.3 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 28% | 0.282 | 33% | 0.329 | S | S | . | . | trans | -67.9 | 121.4 | 166.6 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | C1458 L1462 | C1458-T1460 PolarHBondContact O-N 2.78Å; T1460-L1462 PolarHBondContact O-N 3.19Å | ||
| 1461 | K | 61.1 | Low | 76.3 | Confident | 125 Ų | 125 | 60.1 Ų | 60.1 | 54% | 0.543 | 33% | 0.331 | S | S | . | . | trans | -72.5 | 30.3 | 172 | -55.3 | -169.9 | -158.4 | 149.4 | 0 | 113.5 | S1328 P1459 | S1328-K1461 PolarHBondContact OG-NZ 2.84Å; P1459-K1461 PolarHBondContact O-N 3.09Å | ||
| 1462 | L | 69.3 | Low | 76.5 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | trans | -71.9 | 143.7 | 174.1 | -84.5 | 176.2 | 0 | 0 | 0 | 110 | A1334 A1428 T1460 L1466 L1467 M1470 | A1334-L1462 HydrophobicContact CB-CD2 3.84Å; A1428-L1462 HydrophobicContact CB-CD1 3.3Å; T1460-L1462 PolarHBondContact O-N 3.19Å; L1462-L1466 HydrophobicContact CD2-CD1 3.89Å; L1462-L1467 HydrophobicContact CB-CD2 3.82Å; L1462-L1467 HydrophobicContact CD1-CD2 3.92Å; L1462-M1470 HydrophobicContact CD1-CE 3.73Å | ||
| 1463 | P | 74.6 | Confident | 76.6 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | trans | -71.1 | 141 | 176.1 | 31.4 | -31.2 | 0 | 0 | 0 | 109.3 | T1331 I1335 I1465 L1466 F1494 | T1331-P1463 HydrophobicContact CG2-CB 3.79Å; T1331-P1463 HydrophobicContact CG2-CG 3.75Å; I1335-P1463 HydrophobicContact CD1-CB 4.37Å; I1335-P1463 HydrophobicContact CD1-CG 3.81Å; I1335-P1463 HydrophobicContact CG1-CG 3.78Å; P1463-I1465 HydrophobicContact CB-CG2 4.11Å; P1463-I1465 HydrophobicContact CG-CG2 4.11Å; P1463-I1465 PolarHBondContact O-N 3.43Å; P1463-L1466 HydrophobicContact CG-CD1 4Å; P1463-L1466 HydrophobicContact CG-CG 4.1Å; P1463-L1466 PolarHBondContact O-N 2.82Å; P1463-F1494 HydrophobicContact CB-CZ 4.49Å | ||
| 1464 | V | 81.4 | Confident | 76.9 | Confident | 106 Ų | 106 | 59.6 Ų | 59.6 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -50.9 | -36.4 | -173.1 | 178.8 | 0 | 0 | 0 | 0 | 112.6 | L1466 L1467 T1468 | V1464-L1466 VanDerWaalsContact C-N 3.26Å; V1464-L1466 PolarHBondContact O-N 2.76Å; V1464-L1467 WeakPolarHBondContact O-CB 3.26Å; V1464-L1467 PolarHBondContact O-N 2.85Å; V1464-T1468 PolarHBondContact O-N 3.15Å; V1464-T1468 PolarHBondContact O-OG1 3.38Å |
| 1465 | I | 86.6 | Confident | 77.6 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 16% | 0.159 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52.2 | -39.1 | 176.5 | -171.7 | 59.8 | 0 | 0 | 0 | 113.5 | P1463 L1469 F1494 | P1463-I1465 HydrophobicContact CB-CG2 4.11Å; P1463-I1465 HydrophobicContact CG-CG2 4.11Å; P1463-I1465 PolarHBondContact O-N 3.43Å; I1465-L1469 HydrophobicContact CD1-CD1 4.41Å; I1465-L1469 HydrophobicContact CG1-CD1 4.12Å; I1465-L1469 WeakPolarHBondContact O-CB 3.3Å; I1465-L1469 WeakPolarHBondContact O-CD1 3.44Å; I1465-L1469 WeakPolarHBondContact O-CG 3.38Å; I1465-L1469 PolarHBondContact O-N 2.86Å; I1465-F1494 HydrophobicContact CB-CD2 3.87Å; I1465-F1494 HydrophobicContact CB-CE2 4.1Å; I1465-F1494 HydrophobicContact CB-CG 4.18Å; I1465-F1494 HydrophobicContact CG1-CB 4.2Å; I1465-F1494 HydrophobicContact CG1-CD2 4.14Å; I1465-F1494 HydrophobicContact CG1-CG 4.16Å; I1465-F1494 HydrophobicContact CG2-CD1 3.99Å; I1465-F1494 HydrophobicContact CG2-CD2 4Å; I1465-F1494 HydrophobicContact CG2-CE1 4.03Å; I1465-F1494 HydrophobicContact CG2-CE2 4.04Å; I1465-F1494 HydrophobicContact CG2-CG 3.98Å; I1465-F1494 HydrophobicContact CG2-CZ 4.06Å |
| 1466 | L | 88.5 | Confident | 78.7 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.1 | -31.7 | 179 | -67.3 | -178.4 | 0 | 0 | 0 | 112.1 | A1334 I1335 A1338 L1424 L1462 P1463 V1464 L1469 M1470 L1491 | A1334-L1466 HydrophobicContact CB-CD1 4.14Å; I1335-L1466 HydrophobicContact CG1-CD1 4.24Å; A1338-L1466 HydrophobicContact CB-CD2 3.56Å; L1424-L1466 HydrophobicContact CD1-CD2 4.49Å; L1424-L1466 HydrophobicContact CD2-CD2 4.38Å; L1462-L1466 HydrophobicContact CD2-CD1 3.89Å; P1463-L1466 HydrophobicContact CG-CD1 4Å; P1463-L1466 HydrophobicContact CG-CG 4.1Å; P1463-L1466 PolarHBondContact O-N 2.82Å; V1464-L1466 VanDerWaalsContact C-N 3.26Å; V1464-L1466 PolarHBondContact O-N 2.76Å; L1466-L1469 HydrophobicContact CD2-CD1 4.34Å; L1466-L1469 PolarHBondContact O-N 2.83Å; L1466-M1470 WeakPolarHBondContact O-CG 2.91Å; L1466-M1470 PolarHBondContact O-N 2.71Å; L1466-L1491 HydrophobicContact CD2-CD2 3.74Å |
| 1467 | L | 86.2 | Confident | 80.3 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.9 | -42.3 | 175.1 | -47.4 | -173 | 0 | 0 | 0 | 110.8 | L1455 L1462 V1464 L1469 M1470 N1471 | L1455-L1467 HydrophobicContact CD1-CB 4.5Å; L1455-L1467 HydrophobicContact CD1-CD1 4.21Å; L1455-L1467 HydrophobicContact CD1-CD2 3.83Å; L1455-L1467 HydrophobicContact CD1-CG 4.4Å; L1455-L1467 HydrophobicContact CD2-CD2 4.36Å; L1462-L1467 HydrophobicContact CB-CD2 3.82Å; L1462-L1467 HydrophobicContact CD1-CD2 3.92Å; V1464-L1467 WeakPolarHBondContact O-CB 3.26Å; V1464-L1467 PolarHBondContact O-N 2.85Å; L1467-L1469 VanDerWaalsContact C-N 3.33Å; L1467-L1469 PolarHBondContact O-N 2.76Å; L1467-M1470 HydrophobicContact CD2-CE 3.82Å; L1467-M1470 PolarHBondContact O-N 3Å; L1467-N1471 PolarHBondContact O-N 2.7Å |
| 1468 | T | 89.8 | Confident | 82.3 | Confident | 54 Ų | 54 | 51 Ų | 51 | 33% | 0.331 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 172.5 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | V1464 N1471 M1472 | V1464-T1468 PolarHBondContact O-N 3.15Å; V1464-T1468 PolarHBondContact O-OG1 3.38Å; T1468-N1471 PolarHBondContact O-N 3.01Å; T1468-M1472 HydrophobicContact CG2-CE 3.54Å; T1468-M1472 HydrophobicContact CG2-SD 3.93Å; T1468-M1472 VanDerWaalsContact O-CG 3.32Å; T1468-M1472 WeakPolarHBondContact O-CG 3.2Å; T1468-M1472 PolarHBondContact O-N 3.23Å; T1468-M1472 VanDerWaalsContact O-N 3.13Å |
| 1469 | L | 92.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 176.9 | -76.1 | 167.7 | 0 | 0 | 0 | 112.9 | L1424 I1465 L1466 L1467 N1471 M1472 C1473 L1482 I1487 R1490 L1491 | L1424-L1469 HydrophobicContact CD1-CB 4.29Å; I1465-L1469 HydrophobicContact CD1-CD1 4.41Å; I1465-L1469 HydrophobicContact CG1-CD1 4.12Å; I1465-L1469 WeakPolarHBondContact O-CB 3.3Å; I1465-L1469 WeakPolarHBondContact O-CD1 3.44Å; I1465-L1469 WeakPolarHBondContact O-CG 3.38Å; I1465-L1469 PolarHBondContact O-N 2.86Å; L1466-L1469 HydrophobicContact CD2-CD1 4.34Å; L1466-L1469 PolarHBondContact O-N 2.83Å; L1467-L1469 VanDerWaalsContact C-N 3.33Å; L1467-L1469 PolarHBondContact O-N 2.76Å; L1469-N1471 PolarHBondContact O-N 2.89Å; L1469-M1472 PolarHBondContact O-N 3.13Å; L1469-C1473 WeakPolarHBondContact O-CB 3.35Å; L1469-C1473 PolarHBondContact O-N 3.33Å; L1469-C1473 PolarHBondContact O-SG 2.69Å; L1469-L1482 HydrophobicContact CD2-CD1 3.89Å; L1469-I1487 HydrophobicContact CD2-CG1 4.26Å; L1469-I1487 HydrophobicContact CD2-CG2 4.4Å; L1469-R1490 HydrophobicContact CD2-CB 4.27Å; L1469-L1491 HydrophobicContact CD1-CD1 4.4Å; L1469-L1491 HydrophobicContact CD1-CD2 3.46Å; L1469-L1491 VanDerWaalsContact CD1-CD2 3.46Å; L1469-L1491 HydrophobicContact CD1-CG 3.7Å |
| 1470 | M | 93 | Very high | 86.7 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.4 | -52.5 | 173.3 | -77.2 | 176.5 | -134.7 | 0 | 0 | 111.4 | L1424 W1425 A1428 L1455 L1462 L1466 L1467 M1472 C1473 W1474 | L1424-M1470 HydrophobicContact CB-CE 3.98Å; L1424-M1470 HydrophobicContact CB-CG 3.67Å; L1424-M1470 HydrophobicContact CB-SD 4.36Å; L1424-M1470 HydrophobicContact CD1-CG 4.22Å; W1425-M1470 HydrophobicContact CB-SD 4.18Å; A1428-M1470 HydrophobicContact CB-CE 4.14Å; L1455-M1470 HydrophobicContact CD2-SD 4.25Å; L1462-M1470 HydrophobicContact CD1-CE 3.73Å; L1466-M1470 WeakPolarHBondContact O-CG 2.91Å; L1466-M1470 PolarHBondContact O-N 2.71Å; L1467-M1470 HydrophobicContact CD2-CE 3.82Å; L1467-M1470 PolarHBondContact O-N 3Å; M1470-M1472 VanDerWaalsContact C-N 3.34Å; M1470-M1472 PolarHBondContact O-N 2.81Å; M1470-C1473 WeakPolarHBondContact O-CA 3.23Å; M1470-C1473 WeakPolarHBondContact O-CB 3.22Å; M1470-C1473 PolarHBondContact O-N 3.49Å; M1470-W1474 HydrophobicContact CB-CE3 4.29Å; M1470-W1474 HydrophobicContact CB-CH2 3.87Å; M1470-W1474 HydrophobicContact CB-CZ2 4.4Å; M1470-W1474 HydrophobicContact CB-CZ3 3.82Å; M1470-W1474 HydrophobicContact CG-CH2 4.12Å; M1470-W1474 PolarHBondContact O-N 3.21Å; M1470-W1474 VanDerWaalsContact O-N 3.14Å; M1470-W1474 HydrophobicContact SD-CH2 4.13Å |
| 1471 | N | 91.4 | Very high | 88.5 | Confident | 91 Ų | 91 | 53 Ų | 53 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 179.1 | -67.8 | -15.1 | 0 | 0 | 0 | 112 | L1467 T1468 L1469 C1473 W1474 E1475 | L1467-N1471 PolarHBondContact O-N 2.7Å; T1468-N1471 PolarHBondContact O-N 3.01Å; L1469-N1471 PolarHBondContact O-N 2.89Å; N1471-C1473 PolarHBondContact O-N 3.19Å; N1471-W1474 CarbonylContact O-C 3.58Å; N1471-W1474 PolarHBondContact O-N 2.71Å; N1471-E1475 PolarHBondContact O-N 2.88Å |
| 1472 | M | 94.5 | Very high | 90.1 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 30% | 0.3 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70 | -16.1 | 176.5 | -67.3 | 174.7 | 177.5 | 0 | 0 | 114 | T1468 L1469 M1470 L1482 R1490 | T1468-M1472 HydrophobicContact CG2-CE 3.54Å; T1468-M1472 HydrophobicContact CG2-SD 3.93Å; T1468-M1472 VanDerWaalsContact O-CG 3.32Å; T1468-M1472 WeakPolarHBondContact O-CG 3.2Å; T1468-M1472 PolarHBondContact O-N 3.23Å; T1468-M1472 VanDerWaalsContact O-N 3.13Å; L1469-M1472 PolarHBondContact O-N 3.13Å; M1470-M1472 VanDerWaalsContact C-N 3.34Å; M1470-M1472 PolarHBondContact O-N 2.81Å; M1472-L1482 HydrophobicContact CB-CD1 3.64Å; M1472-L1482 HydrophobicContact CB-CG 3.98Å; M1472-L1482 HydrophobicContact CG-CD1 4.47Å; M1472-L1482 PolarHBondContact O-N 2.89Å; M1472-L1482 HydrophobicContact SD-CD1 4.18Å; M1472-R1490 PolarHBondContact SD-NH1 3.38Å |
| 1473 | C | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -86.8 | -15.1 | 169.3 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | V1417 W1418 L1469 M1470 N1471 R1481 | V1417-C1473 HydrophobicContact CG1-CB 4.06Å; V1417-C1473 WeakPolarHBondContact O-CB 3.28Å; W1418-C1473 WeakPolarHBondContact CA-O 3.37Å; L1469-C1473 WeakPolarHBondContact O-CB 3.35Å; L1469-C1473 PolarHBondContact O-N 3.33Å; L1469-C1473 PolarHBondContact O-SG 2.69Å; M1470-C1473 WeakPolarHBondContact O-CA 3.23Å; M1470-C1473 WeakPolarHBondContact O-CB 3.22Å; M1470-C1473 PolarHBondContact O-N 3.49Å; N1471-C1473 PolarHBondContact O-N 3.19Å; C1473-R1481 WeakPolarHBondContact O-CD 3.46Å; C1473-R1481 VanDerWaalsContact O-CG 3.3Å; C1473-R1481 WeakPolarHBondContact O-CG 3.5Å |
| 1474 | W | 95.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | trans | -109.3 | 16.5 | 177.8 | -57.2 | -37.8 | 0 | 0 | 0 | 114.1 | W1418 G1421 W1425 H1452 L1453 M1470 N1471 F1476 | W1418-W1474 AromaticContact CD2-CD1 3.69Å; W1418-W1474 AromaticContact CE2-CD1 3.89Å; W1418-W1474 HydrophobicContact CE3-CB 4.16Å; W1418-W1474 AromaticContact CE3-CD1 3.9Å; W1418-W1474 HydrophobicContact CE3-CG 4.42Å; W1418-W1474 HydrophobicContact CH2-CB 4.25Å; W1418-W1474 HydrophobicContact CZ3-CB 3.89Å; W1418-W1474 HydrophobicContact CZ3-CG 4.43Å; W1418-W1474 WeakPolarHBondContact CZ3-O 3.29Å; W1418-W1474 PolarHBondContact O-NE1 2.87Å; G1421-W1474 VanDerWaalsContact C-CZ2 3.47Å; G1421-W1474 VanDerWaalsContact O-CZ2 3.26Å; G1421-W1474 WeakPolarHBondContact O-CZ2 3.41Å; W1425-W1474 HydrophobicContact CB-CH2 3.89Å; W1425-W1474 HydrophobicContact CB-CZ2 4.01Å; W1425-W1474 AromaticContact CD1-CH2 3.97Å; W1425-W1474 HydrophobicContact CG-CH2 4.2Å; H1452-W1474 HydrophobicContact CB-CB 3.83Å; H1452-W1474 HydrophobicContact CB-CD2 4.13Å; H1452-W1474 HydrophobicContact CB-CE3 4.13Å; H1452-W1474 HydrophobicContact CB-CG 4.03Å; H1452-W1474 AromaticContact ND1-CE3 3.65Å; L1453-W1474 HydrophobicContact CB-CH2 3.67Å; L1453-W1474 HydrophobicContact CB-CZ2 4Å; L1453-W1474 HydrophobicContact CB-CZ3 4.07Å; L1453-W1474 HydrophobicContact CD1-CH2 4.28Å; L1453-W1474 HydrophobicContact CD1-CZ2 3.86Å; L1453-W1474 HydrophobicContact CG-CZ2 4.42Å; L1453-W1474 VanDerWaalsContact O-CZ3 3.32Å; L1453-W1474 WeakPolarHBondContact O-CZ3 3.39Å; M1470-W1474 HydrophobicContact CB-CE3 4.29Å; M1470-W1474 HydrophobicContact CB-CH2 3.87Å; M1470-W1474 HydrophobicContact CB-CZ2 4.4Å; M1470-W1474 HydrophobicContact CB-CZ3 3.82Å; M1470-W1474 HydrophobicContact CG-CH2 4.12Å; M1470-W1474 PolarHBondContact O-N 3.21Å; M1470-W1474 VanDerWaalsContact O-N 3.14Å; M1470-W1474 HydrophobicContact SD-CH2 4.13Å; N1471-W1474 CarbonylContact O-C 3.58Å; N1471-W1474 PolarHBondContact O-N 2.71Å; W1474-F1476 PolarHBondContact O-N 2.87Å; W1474-F1476 VanDerWaalsContact O-N 3.15Å | ||
| 1475 | E | 95.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 46.1 Ų | 46.1 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | trans | -50 | 120.8 | 159.1 | -84.3 | -70 | 158.5 | 0 | 0 | 109.4 | N1471 E1477 K1480 R1481 | N1471-E1475 PolarHBondContact O-N 2.88Å; E1475-E1477 VanDerWaalsContact C-N 3.34Å; E1475-E1477 PolarHBondContact O-N 2.79Å; E1475-K1480 HydrophobicContact CB-CB 4.08Å; E1475-K1480 HydrophobicContact CG-CB 4.08Å; E1475-K1480 WeakPolarHBondContact OE2-CB 3.27Å; E1475-K1480 VanDerWaalsContact OE2-CD 3.3Å; E1475-K1480 WeakPolarHBondContact OE2-CD 3.05Å; E1475-R1481 HydrophobicContact CB-CB 4Å; E1475-R1481 HydrophobicContact CB-CG 4.23Å; E1475-R1481 PolarHBondContact O-NE 3.47Å; E1475-R1481 PolarHBondContact O-NH2 3.38Å | ||
| 1476 | F | 93.4 | Very high | 93.6 | Very high | 80 Ų | 80 | 48.4 Ų | 48.4 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -58.4 | -47.8 | -173.3 | -175 | -99 | 0 | 0 | 0 | 111 | P1403 V1447 C1448 W1474 P1478 R1481 | P1403-F1476 HydrophobicContact CB-CD2 4.01Å; P1403-F1476 HydrophobicContact CB-CE2 3.62Å; P1403-F1476 HydrophobicContact CB-CZ 4.2Å; P1403-F1476 HydrophobicContact CG-CD2 3.83Å; P1403-F1476 HydrophobicContact CG-CE2 3.98Å; P1403-F1476 HydrophobicContact CG-CG 4.43Å; V1447-F1476 WeakPolarHBondContact O-CE2 3.35Å; C1448-F1476 WeakPolarHBondContact O-CE2 3.31Å; C1448-F1476 WeakPolarHBondContact O-CZ 3.27Å; W1474-F1476 PolarHBondContact O-N 2.87Å; W1474-F1476 VanDerWaalsContact O-N 3.15Å; F1476-P1478 WeakPolarHBondContact O-CD 3.21Å; F1476-R1481 PolarHBondContact O-NH2 3.44Å |
| 1477 | E | 92.8 | Very high | 93.9 | Very high | 87 Ų | 87 | 48.2 Ų | 48.2 | 41% | 0.407 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.5 | 123.4 | 179.8 | -50.7 | -60.4 | 175.5 | 0 | 0 | 111.5 | E1475 T1479 K1480 R1481 | E1475-E1477 VanDerWaalsContact C-N 3.34Å; E1475-E1477 PolarHBondContact O-N 2.79Å; E1477-T1479 PolarHBondContact O-N 2.85Å; E1477-K1480 HydrophobicContact CB-CB 4.41Å; E1477-K1480 HydrophobicContact CB-CD 4.04Å; E1477-K1480 HydrophobicContact CB-CG 4.08Å; E1477-K1480 HydrophobicContact CG-CD 4.09Å; E1477-K1480 PolarHBondContact O-N 2.76Å; E1477-R1481 PolarHBondContact O-N 2.76Å |
| 1478 | P | 93.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.9 | -179.7 | -27.2 | 35.9 | 0 | 0 | 0 | 114.6 | E1404 K1414 F1476 | E1404-P1478 HydrophobicContact CB-CG 4.18Å; E1404-P1478 HydrophobicContact CG-CG 3.91Å; K1414-P1478 HydrophobicContact CB-CB 3.97Å; K1414-P1478 WeakPolarHBondContact CD-O 3.46Å; K1414-P1478 WeakPolarHBondContact CE-O 3.12Å; K1414-P1478 HydrophobicContact CG-CB 4.35Å; K1414-P1478 VanDerWaalsContact CG-O 3.3Å; K1414-P1478 WeakPolarHBondContact CG-O 3.21Å; F1476-P1478 WeakPolarHBondContact O-CD 3.21Å |
| 1479 | T | 92.6 | Very high | 94.5 | Very high | 127 Ų | 127 | 47.5 Ų | 47.5 | 78% | 0.779 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -26.4 | 177.3 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | E1477 | E1477-T1479 PolarHBondContact O-N 2.85Š|
| 1480 | K | 94.4 | Very high | 94.4 | Very high | 135 Ų | 135 | 51.9 Ų | 51.9 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -33.7 | 176.6 | -64.1 | 177 | -174.8 | 168 | 0 | 112.5 | E1475 E1477 | E1475-K1480 HydrophobicContact CB-CB 4.08Å; E1475-K1480 HydrophobicContact CG-CB 4.08Å; E1475-K1480 WeakPolarHBondContact OE2-CB 3.27Å; E1475-K1480 VanDerWaalsContact OE2-CD 3.3Å; E1475-K1480 WeakPolarHBondContact OE2-CD 3.05Å; E1477-K1480 HydrophobicContact CB-CB 4.41Å; E1477-K1480 HydrophobicContact CB-CD 4.04Å; E1477-K1480 HydrophobicContact CB-CG 4.08Å; E1477-K1480 HydrophobicContact CG-CD 4.09Å; E1477-K1480 PolarHBondContact O-N 2.76Å |
| 1481 | R | 95.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -55.5 | 139.6 | 176 | -149.9 | -177.1 | -63.3 | 155.9 | 2.3 | 110.4 | E1404 K1414 V1417 C1473 E1475 F1476 E1477 | E1404-R1481 IonicContact OE1-CZ 3.72Å; E1404-R1481 IonicContact OE1-NH1 3.75Å; E1404-R1481 PolarHBondContact OE1-NH1 2.88Å; E1404-R1481 IonicContact OE1-NH2 3.9Å; E1404-R1481 IonicContact OE2-CZ 2.84Å; E1404-R1481 IonicContact OE2-NH1 2.63Å; E1404-R1481 PolarHBondContact OE2-NH1 2.82Å; E1404-R1481 IonicContact OE2-NH2 2.65Å; E1404-R1481 PolarHBondContact OE2-NH2 3.08Å; K1414-R1481 PolarHBondContact NZ-O 2.91Å; K1414-R1481 WeakPolarHBondContact O-CD 3.34Å; K1414-R1481 PolarHBondContact O-NH1 3.29Å; V1417-R1481 HydrophobicContact CG1-CG 4.05Å; C1473-R1481 WeakPolarHBondContact O-CD 3.46Å; C1473-R1481 VanDerWaalsContact O-CG 3.3Å; C1473-R1481 WeakPolarHBondContact O-CG 3.5Å; E1475-R1481 HydrophobicContact CB-CB 4Å; E1475-R1481 HydrophobicContact CB-CG 4.23Å; E1475-R1481 PolarHBondContact O-NE 3.47Å; E1475-R1481 PolarHBondContact O-NH2 3.38Å; F1476-R1481 PolarHBondContact O-NH2 3.44Å; E1477-R1481 PolarHBondContact O-N 2.76Å |
| 1482 | L | 95.5 | Very high | 94 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 164.6 | -175.8 | -66 | 176.2 | 0 | 0 | 0 | 113.5 | K1414 L1469 M1472 E1486 I1487 | K1414-L1482 WeakPolarHBondContact CD-O 3.36Å; K1414-L1482 PolarHBondContact NZ-O 3.38Å; L1469-L1482 HydrophobicContact CD2-CD1 3.89Å; M1472-L1482 HydrophobicContact CB-CD1 3.64Å; M1472-L1482 HydrophobicContact CB-CG 3.98Å; M1472-L1482 HydrophobicContact CG-CD1 4.47Å; M1472-L1482 PolarHBondContact O-N 2.89Å; M1472-L1482 HydrophobicContact SD-CD1 4.18Å; L1482-E1486 HydrophobicContact CB-CB 4.49Å; L1482-E1486 HydrophobicContact CD2-CB 4.14Å; L1482-I1487 HydrophobicContact CB-CD1 4.15Å; L1482-I1487 HydrophobicContact CB-CG1 3.86Å; L1482-I1487 HydrophobicContact CD1-CG1 3.8Å |
| 1483 | T | 96.1 | Very high | 93.3 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -91 | 160.9 | 158.9 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | S1485 E1486 I1487 | T1483-S1485 PolarHBondContact O-N 3.18Å; T1483-E1486 VanDerWaalsContact CB-OE2 3.31Å; T1483-E1486 WeakPolarHBondContact CB-OE2 3.3Å; T1483-E1486 WeakPolarHBondContact CG2-OE2 3.41Å; T1483-E1486 PolarHBondContact N-OE2 2.69Å; T1483-E1486 PolarHBondContact O-N 3.12Å; T1483-E1486 VanDerWaalsContact OG1-CG 3.31Å; T1483-E1486 WeakPolarHBondContact OG1-CG 3.49Å; T1483-E1486 PolarHBondContact OG1-N 3.2Å; T1483-E1486 PolarHBondContact OG1-OE2 3.46Å; T1483-I1487 WeakPolarHBondContact O-CG1 3.46Å; T1483-I1487 PolarHBondContact O-N 3.29Å |
| 1484 | F | 96.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 2% | 0.022 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -31.4 | 173.1 | -71.2 | -68.2 | 0 | 0 | 0 | 113.1 | M1345 N1346 A1349 D1416 V1417 Y1420 I1487 L1488 | M1345-F1484 HydrophobicContact CB-CD1 3.66Å; M1345-F1484 HydrophobicContact CB-CD2 3.87Å; M1345-F1484 HydrophobicContact CB-CE1 3.49Å; M1345-F1484 VanDerWaalsContact CB-CE1 3.49Å; M1345-F1484 HydrophobicContact CB-CE2 3.71Å; M1345-F1484 HydrophobicContact CB-CG 3.86Å; M1345-F1484 HydrophobicContact CB-CZ 3.52Å; M1345-F1484 HydrophobicContact CE-CE2 3.96Å; M1345-F1484 HydrophobicContact CE-CZ 4Å; M1345-F1484 HydrophobicContact CG-CE1 3.97Å; M1345-F1484 HydrophobicContact CG-CE2 4.44Å; M1345-F1484 HydrophobicContact CG-CZ 3.89Å; N1346-F1484 HydrophobicContact CB-CB 3.8Å; A1349-F1484 HydrophobicContact CB-CD2 4.41Å; D1416-F1484 HydrophobicContact CB-CE2 4.17Å; D1416-F1484 HydrophobicContact CB-CZ 4.22Å; V1417-F1484 HydrophobicContact CB-CZ 4.28Å; V1417-F1484 HydrophobicContact CG2-CD1 4.27Å; V1417-F1484 HydrophobicContact CG2-CD2 3.79Å; V1417-F1484 HydrophobicContact CG2-CE1 3.98Å; V1417-F1484 HydrophobicContact CG2-CE2 3.46Å; V1417-F1484 VanDerWaalsContact CG2-CE2 3.46Å; V1417-F1484 HydrophobicContact CG2-CG 4.18Å; V1417-F1484 HydrophobicContact CG2-CZ 3.56Å; Y1420-F1484 HydrophobicContact CD1-CE1 4.35Å; Y1420-F1484 HydrophobicContact CD2-CE1 4.06Å; Y1420-F1484 AromaticContact CG-CE1 3.82Å; Y1420-F1484 HydrophobicContact CG-CE1 3.82Å; F1484-I1487 HydrophobicContact CD1-CD1 4.2Å; F1484-I1487 PolarHBondContact O-N 3.49Å; F1484-L1488 WeakPolarHBondContact O-CB 3.35Å; F1484-L1488 VanDerWaalsContact O-CG 3.28Å; F1484-L1488 WeakPolarHBondContact O-CG 3.4Å; F1484-L1488 PolarHBondContact O-N 3.29Å |
| 1485 | S | 95.5 | Very high | 91.2 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 175 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | N1346 T1483 L1488 S1489 | N1346-S1485 WeakPolarHBondContact OD1-CA 3.4Å; N1346-S1485 WeakPolarHBondContact OD1-CB 3.17Å; N1346-S1485 PolarHBondContact OD1-N 3.28Å; T1483-S1485 PolarHBondContact O-N 3.18Å; S1485-L1488 PolarHBondContact O-N 3.43Å; S1485-S1489 WeakPolarHBondContact O-CB 3.32Å; S1485-S1489 PolarHBondContact O-N 2.96Å; S1485-S1489 PolarHBondContact O-OG 2.78Å |
| 1486 | E | 95.9 | Very high | 89.5 | Confident | 79 Ų | 79 | 57.2 Ų | 57.2 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 173.7 | -68.6 | 164 | 98.9 | 0 | 0 | 112.3 | L1482 T1483 S1489 R1490 | L1482-E1486 HydrophobicContact CB-CB 4.49Å; L1482-E1486 HydrophobicContact CD2-CB 4.14Å; T1483-E1486 VanDerWaalsContact CB-OE2 3.31Å; T1483-E1486 WeakPolarHBondContact CB-OE2 3.3Å; T1483-E1486 WeakPolarHBondContact CG2-OE2 3.41Å; T1483-E1486 PolarHBondContact N-OE2 2.69Å; T1483-E1486 PolarHBondContact O-N 3.12Å; T1483-E1486 VanDerWaalsContact OG1-CG 3.31Å; T1483-E1486 WeakPolarHBondContact OG1-CG 3.49Å; T1483-E1486 PolarHBondContact OG1-N 3.2Å; T1483-E1486 PolarHBondContact OG1-OE2 3.46Å; E1486-S1489 PolarHBondContact O-N 3.14Å; E1486-R1490 VanDerWaalsContact O-CG 3.28Å; E1486-R1490 WeakPolarHBondContact O-CG 3.3Å; E1486-R1490 PolarHBondContact O-N 3.31Å |
| 1487 | I | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 174 | -68.8 | 165.5 | 0 | 0 | 0 | 110 | A1342 V1417 Y1420 L1469 L1482 T1483 F1484 S1489 R1490 L1491 | A1342-I1487 HydrophobicContact CB-CG2 3.97Å; V1417-I1487 HydrophobicContact CG1-CD1 3.89Å; V1417-I1487 HydrophobicContact CG2-CD1 4.46Å; Y1420-I1487 HydrophobicContact CD1-CD1 4.2Å; Y1420-I1487 HydrophobicContact CE1-CD1 4.2Å; Y1420-I1487 HydrophobicContact CE1-CG2 3.81Å; L1469-I1487 HydrophobicContact CD2-CG1 4.26Å; L1469-I1487 HydrophobicContact CD2-CG2 4.4Å; L1482-I1487 HydrophobicContact CB-CD1 4.15Å; L1482-I1487 HydrophobicContact CB-CG1 3.86Å; L1482-I1487 HydrophobicContact CD1-CG1 3.8Å; T1483-I1487 WeakPolarHBondContact O-CG1 3.46Å; T1483-I1487 PolarHBondContact O-N 3.29Å; F1484-I1487 HydrophobicContact CD1-CD1 4.2Å; F1484-I1487 PolarHBondContact O-N 3.49Å; I1487-S1489 VanDerWaalsContact C-N 3.33Å; I1487-S1489 PolarHBondContact O-N 3.36Å; I1487-R1490 PolarHBondContact O-N 3.4Å; I1487-L1491 HydrophobicContact CG2-CD1 3.84Å; I1487-L1491 HydrophobicContact CG2-CG 4.47Å; I1487-L1491 WeakPolarHBondContact O-CG 3.31Å; I1487-L1491 PolarHBondContact O-N 3.44Å |
| 1488 | L | 94.5 | Very high | 85.4 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175.5 | -76.3 | 170.9 | 0 | 0 | 0 | 112.4 | A1342 T1343 N1346 F1484 S1485 L1491 K1492 | A1342-L1488 HydrophobicContact CB-CD2 3.7Å; A1342-L1488 HydrophobicContact CB-CG 3.97Å; T1343-L1488 VanDerWaalsContact OG1-CD2 3.29Å; T1343-L1488 WeakPolarHBondContact OG1-CD2 3.36Å; N1346-L1488 HydrophobicContact CB-CD1 3.57Å; F1484-L1488 WeakPolarHBondContact O-CB 3.35Å; F1484-L1488 VanDerWaalsContact O-CG 3.28Å; F1484-L1488 WeakPolarHBondContact O-CG 3.4Å; F1484-L1488 PolarHBondContact O-N 3.29Å; S1485-L1488 PolarHBondContact O-N 3.43Å; L1488-L1491 PolarHBondContact O-N 2.95Å; L1488-K1492 VanDerWaalsContact O-CB 3.23Å; L1488-K1492 WeakPolarHBondContact O-CB 3.16Å; L1488-K1492 WeakPolarHBondContact O-CG 3.15Å; L1488-K1492 PolarHBondContact O-N 3.48Å |
| 1489 | S | 92.4 | Very high | 82.7 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 49% | 0.49 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 178.4 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | S1485 E1486 I1487 S1493 | S1485-S1489 WeakPolarHBondContact O-CB 3.32Å; S1485-S1489 PolarHBondContact O-N 2.96Å; S1485-S1489 PolarHBondContact O-OG 2.78Å; E1486-S1489 PolarHBondContact O-N 3.14Å; I1487-S1489 VanDerWaalsContact C-N 3.33Å; I1487-S1489 PolarHBondContact O-N 3.36Å; S1489-S1493 WeakPolarHBondContact O-CB 3.23Å; S1489-S1493 PolarHBondContact O-N 3.37Å; S1489-S1493 PolarHBondContact O-OG 2.99Å |
| 1490 | R | 92.6 | Very high | 79.7 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 36% | 0.355 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 176.4 | -68.8 | 167.1 | -173.4 | -103.9 | 3.7 | 113.3 | L1469 M1472 E1486 I1487 S1493 F1494 | L1469-R1490 HydrophobicContact CD2-CB 4.27Å; M1472-R1490 PolarHBondContact SD-NH1 3.38Å; E1486-R1490 VanDerWaalsContact O-CG 3.28Å; E1486-R1490 WeakPolarHBondContact O-CG 3.3Å; E1486-R1490 PolarHBondContact O-N 3.31Å; I1487-R1490 PolarHBondContact O-N 3.4Å; R1490-S1493 PolarHBondContact O-OG 3.45Å; R1490-F1494 PolarHBondContact O-N 3.1Å |
| 1491 | L | 90.5 | Very high | 76.6 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.8 | -43.8 | 175.4 | -72 | 169.2 | 0 | 0 | 0 | 111.8 | A1338 I1339 A1342 L1466 L1469 I1487 L1488 F1494 T1495 | A1338-L1491 HydrophobicContact CB-CD1 4.16Å; A1338-L1491 HydrophobicContact CB-CD2 4.32Å; I1339-L1491 HydrophobicContact CD1-CB 4.25Å; I1339-L1491 HydrophobicContact CG1-CB 3.68Å; I1339-L1491 HydrophobicContact CG1-CD1 3.92Å; I1339-L1491 HydrophobicContact CG1-CG 4.27Å; A1342-L1491 HydrophobicContact CB-CD1 4.34Å; L1466-L1491 HydrophobicContact CD2-CD2 3.74Å; L1469-L1491 HydrophobicContact CD1-CD1 4.4Å; L1469-L1491 HydrophobicContact CD1-CD2 3.46Å; L1469-L1491 VanDerWaalsContact CD1-CD2 3.46Å; L1469-L1491 HydrophobicContact CD1-CG 3.7Å; I1487-L1491 HydrophobicContact CG2-CD1 3.84Å; I1487-L1491 HydrophobicContact CG2-CG 4.47Å; I1487-L1491 WeakPolarHBondContact O-CG 3.31Å; I1487-L1491 PolarHBondContact O-N 3.44Å; L1488-L1491 PolarHBondContact O-N 2.95Å; L1491-F1494 PolarHBondContact O-N 3.32Å; L1491-T1495 PolarHBondContact O-N 3.13Å; L1491-T1495 VanDerWaalsContact O-N 3.1Å; L1491-T1495 PolarHBondContact O-OG1 2.82Å |
| 1492 | K | 84.3 | Confident | 75.7 | Confident | 113 Ų | 113 | 72.1 Ų | 72.1 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 179.2 | -75.6 | 173.7 | -179.3 | 177.5 | 0 | 111.5 | L1488 F1494 T1495 S1496 | L1488-K1492 VanDerWaalsContact O-CB 3.23Å; L1488-K1492 WeakPolarHBondContact O-CB 3.16Å; L1488-K1492 WeakPolarHBondContact O-CG 3.15Å; L1488-K1492 PolarHBondContact O-N 3.48Å; K1492-F1494 VanDerWaalsContact C-N 3.31Å; K1492-F1494 PolarHBondContact O-N 3.19Å; K1492-T1495 WeakPolarHBondContact CA-OG1 3.13Å; K1492-T1495 PolarHBondContact O-N 3.46Å; K1492-T1495 VanDerWaalsContact O-N 3.14Å; K1492-T1495 PolarHBondContact O-OG1 2.84Å; K1492-S1496 PolarHBondContact O-N 2.64Å; K1492-S1496 PolarHBondContact O-OG 3.03Å |
| 1493 | S | 81.1 | Confident | 74.6 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 177.8 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | S1489 R1490 T1495 S1496 S1497 | S1489-S1493 WeakPolarHBondContact O-CB 3.23Å; S1489-S1493 PolarHBondContact O-N 3.37Å; S1489-S1493 PolarHBondContact O-OG 2.99Å; R1490-S1493 PolarHBondContact O-OG 3.45Å; S1493-T1495 PolarHBondContact O-N 3.2Å; S1493-S1496 PolarHBondContact O-N 2.89Å; S1493-S1497 PolarHBondContact O-N 3.36Å; S1493-S1497 PolarHBondContact O-OG 2.63Å |
| 1494 | F | 75.4 | Confident | 73.4 | Confident | 77 Ų | 77 | 76.7 Ų | 76.7 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 173.5 | -171.1 | -91 | 0 | 0 | 0 | 111.9 | I1335 P1463 I1465 R1490 L1491 K1492 S1496 S1497 S1498 | I1335-F1494 HydrophobicContact CD1-CD1 4.06Å; I1335-F1494 HydrophobicContact CD1-CE1 3.7Å; P1463-F1494 HydrophobicContact CB-CZ 4.49Å; I1465-F1494 HydrophobicContact CB-CD2 3.87Å; I1465-F1494 HydrophobicContact CB-CE2 4.1Å; I1465-F1494 HydrophobicContact CB-CG 4.18Å; I1465-F1494 HydrophobicContact CG1-CB 4.2Å; I1465-F1494 HydrophobicContact CG1-CD2 4.14Å; I1465-F1494 HydrophobicContact CG1-CG 4.16Å; I1465-F1494 HydrophobicContact CG2-CD1 3.99Å; I1465-F1494 HydrophobicContact CG2-CD2 4Å; I1465-F1494 HydrophobicContact CG2-CE1 4.03Å; I1465-F1494 HydrophobicContact CG2-CE2 4.04Å; I1465-F1494 HydrophobicContact CG2-CG 3.98Å; I1465-F1494 HydrophobicContact CG2-CZ 4.06Å; R1490-F1494 PolarHBondContact O-N 3.1Å; L1491-F1494 PolarHBondContact O-N 3.32Å; K1492-F1494 VanDerWaalsContact C-N 3.31Å; K1492-F1494 PolarHBondContact O-N 3.19Å; F1494-S1496 VanDerWaalsContact C-N 3.32Å; F1494-S1496 PolarHBondContact O-N 3.21Å; F1494-S1497 PolarHBondContact O-N 3.16Å; F1494-S1498 PolarHBondContact O-N 3.43Å; F1494-S1498 PolarHBondContact O-OG 2.84Å |
| 1495 | T | 70.4 | Confident | 72.1 | Confident | 29 Ų | 29 | 80.9 Ų | 80.9 | 18% | 0.178 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.5 | -28.9 | 177.5 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | I1335 I1339 L1491 K1492 S1493 S1498 | I1335-T1495 HydrophobicContact CG2-CG2 3.74Å; I1339-T1495 HydrophobicContact CD1-CG2 3.82Å; L1491-T1495 PolarHBondContact O-N 3.13Å; L1491-T1495 VanDerWaalsContact O-N 3.1Å; L1491-T1495 PolarHBondContact O-OG1 2.82Å; K1492-T1495 WeakPolarHBondContact CA-OG1 3.13Å; K1492-T1495 PolarHBondContact O-N 3.46Å; K1492-T1495 VanDerWaalsContact O-N 3.14Å; K1492-T1495 PolarHBondContact O-OG1 2.84Å; S1493-T1495 PolarHBondContact O-N 3.2Å; T1495-S1498 WeakPolarHBondContact CA-OG 3.34Å; T1495-S1498 PolarHBondContact O-OG 3.47Å |
| 1496 | S | 61.1 | Low | 70.6 | Confident | 73 Ų | 73 | 82.1 Ų | 82.1 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -75 | -35.6 | 174.3 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | K1492 S1493 F1494 L1499 | K1492-S1496 PolarHBondContact O-N 2.64Å; K1492-S1496 PolarHBondContact O-OG 3.03Å; S1493-S1496 PolarHBondContact O-N 2.89Å; F1494-S1496 VanDerWaalsContact C-N 3.32Å; F1494-S1496 PolarHBondContact O-N 3.21Å; S1496-L1499 PolarHBondContact O-N 2.97Å |
| 1497 | S | 53.1 | Low | 68.9 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 58% | 0.58 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.9 | -33.8 | 173.8 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | S1493 F1494 L1499 Y1500 | S1493-S1497 PolarHBondContact O-N 3.36Å; S1493-S1497 PolarHBondContact O-OG 2.63Å; F1494-S1497 PolarHBondContact O-N 3.16Å; S1497-L1499 PolarHBondContact O-N 3.06Å; S1497-Y1500 PolarHBondContact O-N 3.17Å |
| 1498 | S | 47 | Very low | 66.9 | Low | 49 Ų | 49 | 88.2 Ų | 88.2 | 34% | 0.343 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 12.2 | 175.2 | 70.7 | 0 | 0 | 0 | 0 | 114.5 | F1494 T1495 | F1494-S1498 PolarHBondContact O-N 3.43Å; F1494-S1498 PolarHBondContact O-OG 2.84Å; T1495-S1498 WeakPolarHBondContact CA-OG 3.34Å; T1495-S1498 PolarHBondContact O-OG 3.47Å |
| 1499 | L | 35.8 | Very low | 64.8 | Low | 145 Ų | 145 | 94.3 Ų | 94.3 | 76% | 0.759 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 6.5 | 171 | -91.8 | 163.1 | 0 | 0 | 0 | 112.6 | S1496 S1497 | S1496-L1499 PolarHBondContact O-N 2.97Å; S1497-L1499 PolarHBondContact O-N 3.06Å |
| 1500 | Y | 31 | Very low | 62.5 | Low | 217 Ų | 217 | 96.3 Ų | 96.3 | 85% | 0.851 | 50% | 0.495 | S | S | * | . | trans | -118 | 13.3 | 177.3 | -92.6 | -85.8 | 0 | 0 | 0 | 113.1 | S1497 | S1497-Y1500 PolarHBondContact O-N 3.17Š| ||
| 1501 | I | 28.1 | Very low | 59.8 | Low | 210 Ų | 210 | 96.5 Ų | 96.5 | 100% | 1.077 | 51% | 0.508 | S | S | * | . | trans | -136 | 0 | 178 | -56.3 | 173.3 | 0 | 0 | 0 | 108.1 |
Retrieved 1,501 of 1,501 residues in 461.6 ms
(Link to these results)