| 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 | 29.6 | Very low | 69.8 | Low | 245 Ų | 245 | 69.6 Ų | 69.6 | 100% | 1.207 | 42% | 0.416 | S | S | * | . | 0 | 95.1 | 0 | -72 | 175.1 | 177.8 | 0 | 0 | 105.9 | S3 | M1-S3 PolarHBondContact O-N 3.2Š| |||
| 2 | S | 42.2 | Very low | 72.2 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 80% | 0.804 | 39% | 0.386 | S | S | * | . | trans | -64.3 | 122.2 | 175.7 | 50.3 | 0 | 0 | 0 | 0 | 107.4 | S4 | S2-S4 PolarHBondContact O-N 2.62Š| ||
| 3 | S | 43.9 | Very low | 74.1 | Confident | 82 Ų | 82 | 60 Ų | 60 | 57% | 0.573 | 36% | 0.358 | S | S | * | . | trans | -51.8 | 107 | 162.5 | 49.8 | 0 | 0 | 0 | 0 | 106.9 | M1 C5 | M1-S3 PolarHBondContact O-N 3.2Å; S3-C5 PolarHBondContact O-N 3.33Å; S3-C5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | S | 52.5 | Low | 75.6 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | trans | -61.9 | 116.1 | 167.6 | 47.5 | 0 | 0 | 0 | 0 | 106 | S2 D6 | S2-S4 PolarHBondContact O-N 2.62Å; S4-D6 PolarHBondContact O-N 3.05Å | ||
| 5 | C | 57.8 | Low | 76.7 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | trans | -59.9 | 122.3 | 169.7 | 170.1 | 0 | 0 | 0 | 0 | 108 | S3 T7 D96 C97 C98 | S3-C5 PolarHBondContact O-N 3.33Å; S3-C5 VanDerWaalsContact O-N 3.12Å; C5-T7 PolarHBondContact O-N 3.04Å; C5-T7 PolarHBondContact SG-O 3.07Å; C5-D96 PolarHBondContact SG-O 3.25Å; C5-C97 WeakPolarHBondContact SG-CA 3.38Å; C5-C98 PolarHBondContact SG-N 3.23Å | ||
| 6 | D | 65 | Low | 77.8 | Confident | 137 Ų | 137 | 54.3 Ų | 54.3 | 73% | 0.733 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -73.8 | -15.6 | -172.8 | -80.1 | -20 | 0 | 0 | 0 | 112.7 | S4 | S4-D6 PolarHBondContact O-N 3.05Š|
| 7 | T | 87 | Confident | 78.9 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 125.7 | -175 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | C5 C97 C98 | C5-T7 PolarHBondContact O-N 3.04Å; C5-T7 PolarHBondContact SG-O 3.07Å; T7-C97 WeakPolarHBondContact O-CA 3.19Å; T7-C97 PolarHBondContact O-SG 3.46Å; T7-C98 PolarHBondContact O-N 3.41Å |
| 8 | A | 95.6 | Very high | 79.9 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S23 C98 A368 | A8-S23 PolarHBondContact N-OG 2.85Å; A8-S23 WeakPolarHBondContact O-CB 3.07Å; A8-S23 PolarHBondContact O-N 3.19Å; A8-S23 PolarHBondContact O-OG 2.92Å; A8-C98 CarbonylContact C-O 3.58Å; A8-C98 WeakPolarHBondContact CA-O 3.45Å; A8-C98 HydrophobicContact CB-CB 4.18Å; A8-A368 HydrophobicContact CB-CB 3.67Å |
| 9 | F | 97.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.4 | 172 | -171.9 | -97.3 | 0 | 0 | 0 | 109.6 | L11 A20 H22 F85 M90 V92 C97 C98 L99 I100 | F9-L11 HydrophobicContact CD1-CB 4.29Å; F9-L11 HydrophobicContact CE1-CB 4.11Å; F9-L11 HydrophobicContact CE1-CD1 4.37Å; F9-A20 HydrophobicContact CE1-CB 4.2Å; F9-A20 HydrophobicContact CZ-CB 3.82Å; F9-H22 AromaticContact CD2-CE1 3.87Å; F9-H22 AromaticContact CD2-ND1 3.78Å; F9-F85 HydrophobicContact CD1-CE1 4.21Å; F9-F85 HydrophobicContact CE1-CD1 4.23Å; F9-F85 AromaticContact CE1-CE1 3.75Å; F9-F85 HydrophobicContact CE1-CE1 3.75Å; F9-F85 HydrophobicContact CZ-CE1 4.47Å; F9-M90 HydrophobicContact CE2-CB 3.97Å; F9-M90 HydrophobicContact CE2-CE 3.87Å; F9-M90 HydrophobicContact CE2-CG 4.37Å; F9-M90 HydrophobicContact CZ-CB 4.17Å; F9-M90 HydrophobicContact CZ-CE 4.27Å; F9-M90 HydrophobicContact CZ-CG 4.27Å; F9-V92 HydrophobicContact CB-CG1 4.43Å; F9-V92 HydrophobicContact CD1-CG2 4.37Å; F9-V92 HydrophobicContact CD2-CG2 3.6Å; F9-V92 HydrophobicContact CE1-CG2 4.25Å; F9-V92 HydrophobicContact CE2-CG2 3.44Å; F9-V92 VanDerWaalsContact CE2-CG2 3.44Å; F9-V92 HydrophobicContact CG-CG1 4.33Å; F9-V92 HydrophobicContact CG-CG2 4.06Å; F9-V92 HydrophobicContact CZ-CG2 3.77Å; F9-C97 WeakPolarHBondContact CB-SG 3.38Å; F9-C98 PolarHBondContact N-O 2.95Å; F9-L99 HydrophobicContact CD1-CD1 3.92Å; F9-L99 WeakPolarHBondContact O-CA 3.3Å; F9-I100 PolarHBondContact O-N 2.91Å |
| 10 | I | 98.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.5 | -177.6 | -55 | 89 | 0 | 0 | 0 | 108.7 | A20 G21 S23 I100 W361 R365 A368 | I10-A20 WeakPolarHBondContact O-CA 3.42Å; I10-G21 PolarHBondContact N-O 3.14Å; I10-G21 PolarHBondContact O-N 3.48Å; I10-S23 VanDerWaalsContact CD1-CA 3.44Å; I10-I100 CarbonylContact C-O 3.56Å; I10-I100 WeakPolarHBondContact CA-O 3.36Å; I10-I100 HydrophobicContact CG1-CB 4.34Å; I10-I100 HydrophobicContact CG1-CD1 4.37Å; I10-I100 HydrophobicContact CG2-CG2 4.42Å; I10-W361 VanDerWaalsContact CG2-CD1 3.46Å; I10-W361 HydrophobicContact CG2-CG 3.97Å; I10-W361 PolarHBondContact O-NE1 3.38Å; I10-W361 VanDerWaalsContact O-NE1 3.16Å; I10-R365 HydrophobicContact CD1-CB 4.34Å; I10-A368 HydrophobicContact CD1-CB 4.39Å |
| 11 | L | 98.3 | Very high | 82.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 93.1 | -177 | -176.3 | 62 | 0 | 0 | 0 | 110.6 | F9 N13 I18 A20 L84 F85 L99 I100 I101 T102 | F9-L11 HydrophobicContact CD1-CB 4.29Å; F9-L11 HydrophobicContact CE1-CB 4.11Å; F9-L11 HydrophobicContact CE1-CD1 4.37Å; L11-N13 PolarHBondContact O-N 3.17Å; L11-N13 VanDerWaalsContact O-N 3.12Å; L11-I18 HydrophobicContact CD1-CG2 3.4Å; L11-I18 VanDerWaalsContact CD1-CG2 3.4Å; L11-A20 HydrophobicContact CD1-CB 3.75Å; L11-L84 HydrophobicContact CD1-CD1 4.5Å; L11-F85 HydrophobicContact CD2-CE1 4.05Å; L11-F85 HydrophobicContact CD2-CZ 3.84Å; L11-L99 HydrophobicContact CB-CD1 4.03Å; L11-L99 HydrophobicContact CD2-CD1 4.49Å; L11-I100 PolarHBondContact N-O 3.32Å; L11-I101 HydrophobicContact CB-CB 4.48Å; L11-I101 HydrophobicContact CB-CG1 4.23Å; L11-I101 HydrophobicContact CD2-CD1 3.74Å; L11-I101 HydrophobicContact CD2-CG1 4.12Å; L11-I101 HydrophobicContact CG-CD1 4.37Å; L11-I101 HydrophobicContact CG-CG1 4.22Å; L11-I101 VanDerWaalsContact O-CA 3.3Å; L11-I101 WeakPolarHBondContact O-CA 3.48Å; L11-T102 PolarHBondContact O-N 2.91Å |
| 12 | D | 97.9 | Very high | 85.7 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 97.6 | 164 | 164.2 | 31.2 | 0 | 0 | 0 | 108.2 | G14 I18 K19 T102 W361 | D12-G14 PolarHBondContact O-N 3.37Å; D12-I18 VanDerWaalsContact O-CA 3.31Å; D12-I18 WeakPolarHBondContact O-CA 3.24Å; D12-K19 HydrophobicContact CB-CB 4.1Å; D12-K19 PolarHBondContact N-O 3.34Å; D12-K19 PolarHBondContact O-N 3.11Å; D12-K19 WeakPolarHBondContact OD2-CD 3.38Å; D12-K19 IonicContact OD2-NZ 3.14Å; D12-K19 PolarHBondContact OD2-NZ 3.3Å; D12-T102 WeakPolarHBondContact CA-OG1 3.38Å; D12-T102 HydrophobicContact CB-CG2 4.04Å; D12-T102 PolarHBondContact OD1-OG1 3.16Å; D12-W361 HydrophobicContact CB-CB 4.41Å |
| 13 | N | 96.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | trans | -79.6 | 57.3 | -177.3 | -169.2 | 35.3 | 0 | 0 | 0 | 112.2 | L11 N33 F66 Q77 W81 I101 T102 | L11-N13 PolarHBondContact O-N 3.17Å; L11-N13 VanDerWaalsContact O-N 3.12Å; N13-N33 PolarHBondContact OD1-ND2 3.49Å; N13-F66 WeakPolarHBondContact O-CZ 3.25Å; N13-Q77 PolarHBondContact OD1-NE2 3.33Å; N13-Q77 PolarHBondContact OD1-OE1 3.3Å; N13-W81 WeakPolarHBondContact ND2-CZ2 3.1Å; N13-I101 HydrophobicContact CB-CG1 4.33Å; N13-T102 PolarHBondContact N-OG1 2.85Å | ||
| 14 | G | 95.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | trans | -65 | 144.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D12 Y16 T17 N33 | D12-G14 PolarHBondContact O-N 3.37Å; G14-Y16 PolarHBondContact O-N 3.26Å; G14-T17 WeakPolarHBondContact CA-O 3.36Å; G14-N33 VanDerWaalsContact O-CB 3.32Å; G14-N33 WeakPolarHBondContact O-CB 3.43Å; G14-N33 PolarHBondContact O-ND2 3.29Å | ||
| 15 | G | 92.8 | Very high | 92.5 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -69.5 | -3.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 16 | Y | 94.3 | Very high | 94.2 | Very high | 59 Ų | 59 | 32.7 Ų | 32.7 | 23% | 0.231 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -131.6 | -39.1 | 173.3 | 179.6 | -107.6 | 0 | 0 | 0 | 112 | G14 N33 Y156 N207 | G14-Y16 PolarHBondContact O-N 3.26Å; Y16-N33 PolarHBondContact O-N 3.28Å; Y16-Y156 VanDerWaalsContact CB-CG 3.41Å; Y16-Y156 HydrophobicContact CD1-CD2 4.4Å; Y16-Y156 AromaticContact CD2-CD2 3.89Å; Y16-Y156 HydrophobicContact CD2-CD2 3.89Å; Y16-Y156 HydrophobicContact CD2-CE1 4.5Å; Y16-Y156 AromaticContact CD2-CE2 3.61Å; Y16-Y156 HydrophobicContact CD2-CE2 3.61Å; Y16-Y156 HydrophobicContact CD2-CG 4.45Å; Y16-Y156 AromaticContact CD2-CZ 3.95Å; Y16-Y156 HydrophobicContact CE2-CE2 4.24Å; Y16-Y156 AromaticContact CG-CD2 3.71Å; Y16-Y156 HydrophobicContact CG-CD2 3.71Å; Y16-Y156 AromaticContact CG-CE2 3.95Å; Y16-Y156 HydrophobicContact CG-CE2 3.95Å; Y16-Y156 HydrophobicContact CG-CG 4.08Å; Y16-N207 PolarHBondContact OH-ND2 2.76Å |
| 17 | T | 95.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 31 Ų | 31 | 22% | 0.221 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.9 | 177.8 | -48.9 | 0 | 0 | 0 | 0 | 109.2 | G14 K19 L30 F31 | G14-T17 WeakPolarHBondContact CA-O 3.36Å; T17-K19 HydrophobicContact CG2-CD 4.18Å; T17-L30 HydrophobicContact CG2-CB 4.11Å; T17-L30 HydrophobicContact CG2-CD2 4.49Å; T17-F31 CarbonylContact C-O 3.51Å; T17-F31 VanDerWaalsContact CA-O 3.31Å; T17-F31 WeakPolarHBondContact CA-O 3.42Å |
| 18 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 138.6 | 167.7 | -75.3 | 165.3 | 0 | 0 | 0 | 108.9 | L11 D12 A20 L30 F31 N33 I80 L84 | L11-I18 HydrophobicContact CD1-CG2 3.4Å; L11-I18 VanDerWaalsContact CD1-CG2 3.4Å; D12-I18 VanDerWaalsContact O-CA 3.31Å; D12-I18 WeakPolarHBondContact O-CA 3.24Å; I18-A20 HydrophobicContact CG2-CB 4Å; I18-L30 WeakPolarHBondContact O-CA 3.39Å; I18-F31 HydrophobicContact CB-CB 4Å; I18-F31 HydrophobicContact CG2-CB 4.27Å; I18-F31 HydrophobicContact CG2-CD2 4.35Å; I18-F31 PolarHBondContact N-O 2.95Å; I18-F31 PolarHBondContact O-N 2.69Å; I18-N33 HydrophobicContact CD1-CB 3.98Å; I18-N33 HydrophobicContact CG1-CB 3.88Å; I18-I80 HydrophobicContact CD1-CG2 3.66Å; I18-L84 HydrophobicContact CD1-CD1 3.73Å; I18-L84 HydrophobicContact CG2-CD1 3.97Å |
| 19 | K | 98.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116 | 169.8 | -64 | 49.9 | 157.4 | -115.8 | 0 | 106.1 | D12 T17 P28 K29 L30 I357 W361 | D12-K19 HydrophobicContact CB-CB 4.1Å; D12-K19 PolarHBondContact N-O 3.34Å; D12-K19 PolarHBondContact O-N 3.11Å; D12-K19 WeakPolarHBondContact OD2-CD 3.38Å; D12-K19 IonicContact OD2-NZ 3.14Å; D12-K19 PolarHBondContact OD2-NZ 3.3Å; T17-K19 HydrophobicContact CG2-CD 4.18Å; K19-P28 HydrophobicContact CB-CB 3.81Å; K19-P28 HydrophobicContact CB-CG 4.36Å; K19-P28 HydrophobicContact CG-CB 4.39Å; K19-P28 HydrophobicContact CG-CG 4.47Å; K19-K29 WeakPolarHBondContact CA-O 3.21Å; K19-L30 HydrophobicContact CB-CD2 4.39Å; K19-L30 HydrophobicContact CD-CD2 4.02Å; K19-L30 HydrophobicContact CG-CD2 3.57Å; K19-I357 HydrophobicContact CD-CG2 4.37Å; K19-I357 WeakPolarHBondContact CE-O 3.49Å; K19-I357 PolarHBondContact NZ-O 2.85Å; K19-I357 VanDerWaalsContact NZ-O 3.09Å; K19-W361 HydrophobicContact CB-CB 3.98Å; K19-W361 HydrophobicContact CB-CG 4.19Å |
| 20 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 144.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F9 I10 L11 I18 K29 F31 | F9-A20 HydrophobicContact CE1-CB 4.2Å; F9-A20 HydrophobicContact CZ-CB 3.82Å; I10-A20 WeakPolarHBondContact O-CA 3.42Å; L11-A20 HydrophobicContact CD1-CB 3.75Å; I18-A20 HydrophobicContact CG2-CB 4Å; A20-K29 PolarHBondContact N-O 3.23Å; A20-K29 PolarHBondContact O-N 3.27Å; A20-F31 HydrophobicContact CB-CD2 4.04Å; A20-F31 HydrophobicContact CB-CE2 3.98Å |
| 21 | G | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 150.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I10 | I10-G21 PolarHBondContact N-O 3.14Å; I10-G21 PolarHBondContact O-N 3.48Å |
| 22 | H | 96.7 | Very high | 95.9 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 21% | 0.213 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 147.2 | 165.8 | -66.7 | -77.1 | 0 | 0 | 0 | 109.6 | F9 T24 A25 M90 | F9-H22 AromaticContact CD2-CE1 3.87Å; F9-H22 AromaticContact CD2-ND1 3.78Å; H22-T24 PolarHBondContact O-N 3.39Å; H22-A25 VanDerWaalsContact O-CB 3.31Å; H22-A25 WeakPolarHBondContact O-CB 3.48Å; H22-A25 PolarHBondContact O-N 2.74Å; H22-M90 PolarHBondContact NE2-O 3.16Å |
| 23 | S | 94.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26.3 | 176.5 | 42.6 | 0 | 0 | 0 | 0 | 113.8 | A8 I10 R365 | A8-S23 PolarHBondContact N-OG 2.85Å; A8-S23 WeakPolarHBondContact O-CB 3.07Å; A8-S23 PolarHBondContact O-N 3.19Å; A8-S23 PolarHBondContact O-OG 2.92Å; I10-S23 VanDerWaalsContact CD1-CA 3.44Å; S23-R365 VanDerWaalsContact O-CZ 3.28Å; S23-R365 PolarHBondContact O-NE 3.16Å; S23-R365 PolarHBondContact O-NH2 3.27Å; S23-R365 VanDerWaalsContact O-NH2 3.14Å |
| 24 | T | 93.1 | Very high | 95.8 | Very high | 112 Ų | 112 | 40.1 Ų | 40.1 | 69% | 0.687 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -24.2 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 114 | H22 | H22-T24 PolarHBondContact O-N 3.39Š|
| 25 | A | 94.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | trans | -72.1 | 135.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H22 W361 R365 | H22-A25 VanDerWaalsContact O-CB 3.31Å; H22-A25 WeakPolarHBondContact O-CB 3.48Å; H22-A25 PolarHBondContact O-N 2.74Å; A25-W361 WeakPolarHBondContact O-CH2 3.33Å; A25-R365 VanDerWaalsContact C-NH1 3.3Å; A25-R365 PolarHBondContact O-NH1 3.21Å | ||
| 26 | T | 92.5 | Very high | 95.6 | Very high | 112 Ų | 112 | 39 Ų | 39 | 69% | 0.687 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -63.5 | -41.5 | -178.8 | 45 | 0 | 0 | 0 | 0 | 113.7 | R365 | T26-R365 PolarHBondContact O-NH1 3.44Š|
| 27 | E | 95.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 48% | 0.477 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -130.1 | 147.8 | -171.5 | -71.6 | -65.9 | 145.2 | 0 | 0 | 110.1 | R362 | E27-R362 VanDerWaalsContact CD-NH2 3.28Å; E27-R362 IonicContact OE1-CZ 3.94Å; E27-R362 IonicContact OE1-NE 3.48Å; E27-R362 IonicContact OE1-NH2 2.86Å; E27-R362 PolarHBondContact OE1-NH2 2.8Å; E27-R362 VanDerWaalsContact OE1-NH2 3.14Å; E27-R362 IonicContact OE2-CZ 3.96Å; E27-R362 IonicContact OE2-NH2 3.4Å; E27-R362 PolarHBondContact OE2-NH2 3.08Å |
| 28 | P | 97.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 39 Ų | 39 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 147.4 | 174.3 | 26.2 | -28 | 0 | 0 | 0 | 111.3 | K19 W361 | K19-P28 HydrophobicContact CB-CB 3.81Å; K19-P28 HydrophobicContact CB-CG 4.36Å; K19-P28 HydrophobicContact CG-CB 4.39Å; K19-P28 HydrophobicContact CG-CG 4.47Å; P28-W361 HydrophobicContact CB-CB 4.38Å; P28-W361 HydrophobicContact CB-CD2 3.56Å; P28-W361 HydrophobicContact CB-CE3 3.94Å; P28-W361 HydrophobicContact CB-CG 3.73Å; P28-W361 HydrophobicContact CB-CZ2 4.41Å; P28-W361 HydrophobicContact CG-CB 4.49Å; P28-W361 HydrophobicContact CG-CD2 3.97Å; P28-W361 HydrophobicContact CG-CE3 3.88Å; P28-W361 HydrophobicContact CG-CG 4.22Å; P28-W361 HydrophobicContact CG-CZ3 4.47Å |
| 29 | K | 97.2 | Very high | 93.7 | Very high | 110 Ų | 110 | 44 Ų | 44 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 137.8 | 159.6 | -65.5 | -165.6 | -165.1 | 169 | 0 | 109.5 | K19 A20 F31 M90 | K19-K29 WeakPolarHBondContact CA-O 3.21Å; A20-K29 PolarHBondContact N-O 3.23Å; A20-K29 PolarHBondContact O-N 3.27Å; K29-F31 HydrophobicContact CB-CD2 4.18Å; K29-F31 HydrophobicContact CB-CE2 3.42Å; K29-F31 VanDerWaalsContact CB-CE2 3.42Å; K29-F31 HydrophobicContact CB-CZ 3.76Å; K29-F31 HydrophobicContact CD-CE2 4.36Å; K29-F31 HydrophobicContact CD-CZ 3.95Å; K29-M90 HydrophobicContact CD-CE 4.28Å; K29-M90 HydrophobicContact CD-SD 3.61Å; K29-M90 HydrophobicContact CG-CE 4.49Å; K29-M90 HydrophobicContact CG-SD 4.39Å |
| 30 | L | 96.7 | Very high | 92.7 | Very high | 98 Ų | 98 | 47.8 Ų | 47.8 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.1 | 179.1 | -55.3 | -173.8 | 0 | 0 | 0 | 110 | T17 I18 K19 I357 | T17-L30 HydrophobicContact CG2-CB 4.11Å; T17-L30 HydrophobicContact CG2-CD2 4.49Å; I18-L30 WeakPolarHBondContact O-CA 3.39Å; K19-L30 HydrophobicContact CB-CD2 4.39Å; K19-L30 HydrophobicContact CD-CD2 4.02Å; K19-L30 HydrophobicContact CG-CD2 3.57Å; L30-I357 HydrophobicContact CD2-CG2 4.33Å |
| 31 | F | 97.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.9 | -174.9 | -70.4 | -70.2 | 0 | 0 | 0 | 110 | T17 I18 A20 K29 N33 S48 D49 L84 M90 | T17-F31 CarbonylContact C-O 3.51Å; T17-F31 VanDerWaalsContact CA-O 3.31Å; T17-F31 WeakPolarHBondContact CA-O 3.42Å; I18-F31 HydrophobicContact CB-CB 4Å; I18-F31 HydrophobicContact CG2-CB 4.27Å; I18-F31 HydrophobicContact CG2-CD2 4.35Å; I18-F31 PolarHBondContact N-O 2.95Å; I18-F31 PolarHBondContact O-N 2.69Å; A20-F31 HydrophobicContact CB-CD2 4.04Å; A20-F31 HydrophobicContact CB-CE2 3.98Å; K29-F31 HydrophobicContact CB-CD2 4.18Å; K29-F31 HydrophobicContact CB-CE2 3.42Å; K29-F31 VanDerWaalsContact CB-CE2 3.42Å; K29-F31 HydrophobicContact CB-CZ 3.76Å; K29-F31 HydrophobicContact CD-CE2 4.36Å; K29-F31 HydrophobicContact CD-CZ 3.95Å; F31-N33 PolarHBondContact O-N 3.35Å; F31-S48 VanDerWaalsContact CB-OG 3.3Å; F31-S48 WeakPolarHBondContact CB-OG 3.31Å; F31-S48 VanDerWaalsContact CD1-OG 3.3Å; F31-S48 WeakPolarHBondContact CD1-OG 3.32Å; F31-D49 HydrophobicContact CD1-CB 4.23Å; F31-D49 WeakPolarHBondContact CD1-OD1 3.41Å; F31-L84 HydrophobicContact CB-CD2 4.15Å; F31-L84 HydrophobicContact CD1-CD2 3.71Å; F31-L84 HydrophobicContact CD2-CD2 3.47Å; F31-L84 VanDerWaalsContact CD2-CD2 3.47Å; F31-L84 HydrophobicContact CE1-CD2 3.83Å; F31-L84 HydrophobicContact CE2-CD2 3.6Å; F31-L84 HydrophobicContact CG-CD2 3.5Å; F31-L84 VanDerWaalsContact CG-CD2 3.5Å; F31-L84 HydrophobicContact CZ-CD2 3.77Å; F31-M90 HydrophobicContact CE2-CG 4.4Å; F31-M90 HydrophobicContact CE2-SD 4.11Å; F31-M90 HydrophobicContact CZ-CG 4.29Å; F31-M90 HydrophobicContact CZ-SD 3.93Å |
| 32 | P | 95 | Very high | 90.6 | Very high | 34 Ų | 34 | 61 Ų | 61 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 123.3 | 169 | -23.2 | 33.7 | 0 | 0 | 0 | 110.7 | C34 S48 I51 | P32-C34 PolarHBondContact O-N 2.93Å; P32-S48 WeakPolarHBondContact O-CA 3.46Å; P32-I51 HydrophobicContact CG-CG2 4.47Å |
| 33 | N | 96.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -82.5 | 61.4 | 176.6 | -162.7 | -1 | 0 | 0 | 0 | 110.8 | N13 G14 Y16 I18 F31 L64 P65 F66 Q77 I80 | N13-N33 PolarHBondContact OD1-ND2 3.49Å; G14-N33 VanDerWaalsContact O-CB 3.32Å; G14-N33 WeakPolarHBondContact O-CB 3.43Å; G14-N33 PolarHBondContact O-ND2 3.29Å; Y16-N33 PolarHBondContact O-N 3.28Å; I18-N33 HydrophobicContact CD1-CB 3.98Å; I18-N33 HydrophobicContact CG1-CB 3.88Å; F31-N33 PolarHBondContact O-N 3.35Å; N33-L64 VanDerWaalsContact O-CD2 3.31Å; N33-L64 WeakPolarHBondContact O-CD2 3.28Å; N33-P65 WeakPolarHBondContact O-CD 3.25Å; N33-P65 WeakPolarHBondContact OD1-CG 3.2Å; N33-F66 WeakPolarHBondContact ND2-CE2 3.48Å; N33-Q77 PolarHBondContact ND2-OE1 2.67Å; N33-Q77 PolarHBondContact OD1-OE1 2.83Å; N33-I80 VanDerWaalsContact OD1-CD1 3.26Å; N33-I80 WeakPolarHBondContact OD1-CD1 3.37Å |
| 34 | C | 94.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | trans | -150.2 | 156.9 | -179 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | P32 S48 Q63 L64 | P32-C34 PolarHBondContact O-N 2.93Å; C34-S48 PolarHBondContact O-N 2.85Å; C34-Q63 WeakPolarHBondContact CA-O 3.4Å; C34-L64 HydrophobicContact CB-CD2 3.85Å | ||
| 35 | I | 94.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.8 | 156.9 | 67.9 | 179.7 | 0 | 0 | 0 | 108.8 | V45 F46 I47 Q63 V76 Q79 I80 | I35-V45 HydrophobicContact CB-CG1 3.78Å; I35-V45 HydrophobicContact CD1-CG1 4.29Å; I35-V45 HydrophobicContact CG1-CG1 4.41Å; I35-V45 HydrophobicContact CG2-CG1 4.29Å; I35-F46 CarbonylContact C-O 3.35Å; I35-F46 WeakPolarHBondContact CA-O 3.47Å; I35-I47 HydrophobicContact CG2-CG1 4.34Å; I35-Q63 HydrophobicContact CD1-CB 4.23Å; I35-Q63 HydrophobicContact CD1-CG 4.24Å; I35-Q63 HydrophobicContact CG1-CB 3.68Å; I35-Q63 HydrophobicContact CG1-CG 4.12Å; I35-Q63 PolarHBondContact N-O 3.41Å; I35-Q63 PolarHBondContact O-N 3.47Å; I35-V76 HydrophobicContact CD1-CG1 4.02Å; I35-V76 HydrophobicContact CD1-CG2 4.22Å; I35-V76 HydrophobicContact CG1-CG1 3.93Å; I35-V76 HydrophobicContact CG2-CG1 4.14Å; I35-Q79 HydrophobicContact CG2-CB 4.49Å; I35-I80 HydrophobicContact CG2-CD1 4.31Å; I35-I80 HydrophobicContact CG2-CG1 3.94Å |
| 36 | T | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.1 | -176.1 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | F46 I51 L60 F61 Y62 | T36-F46 PolarHBondContact N-O 3.04Å; T36-F46 PolarHBondContact O-N 3.21Å; T36-I51 HydrophobicContact CG2-CD1 4.21Å; T36-I51 HydrophobicContact CG2-CG1 4.42Å; T36-L60 HydrophobicContact CG2-CB 3.78Å; T36-L60 HydrophobicContact CG2-CD1 4.01Å; T36-L60 HydrophobicContact CG2-CD2 3.93Å; T36-L60 HydrophobicContact CG2-CG 4.11Å; T36-F61 WeakPolarHBondContact CA-O 3.4Å; T36-Y62 HydrophobicContact CG2-CE1 4.33Å |
| 37 | K | 88.2 | Confident | 89.5 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 39% | 0.391 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.5 | 169.7 | -65.3 | 178.2 | 179.3 | 177.7 | 0 | 109.3 | V45 F61 | K37-V45 HydrophobicContact CG-CG2 4.28Å; K37-F61 HydrophobicContact CB-CB 4.34Å; K37-F61 PolarHBondContact N-O 3.39Å; K37-F61 PolarHBondContact O-N 3.15Å |
| 38 | S | 82.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 146.1 | 171.7 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | N40 E41 | S38-N40 PolarHBondContact O-N 2.84Å; S38-N40 PolarHBondContact OG-N 3.31Å; S38-E41 CarbonylContact O-C 3.23Å |
| 39 | K | 77.8 | Confident | 89.3 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 45% | 0.452 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -62.2 | -30.6 | 170.6 | -82.5 | -171.7 | 180 | 174 | 0 | 112.6 | R42 T59 F61 | K39-R42 VanDerWaalsContact O-CG 3.28Å; K39-R42 WeakPolarHBondContact O-CG 3.39Å; K39-T59 HydrophobicContact CD-CG2 3.48Å; K39-T59 VanDerWaalsContact CD-CG2 3.48Å; K39-T59 HydrophobicContact CG-CG2 4.24Å; K39-T59 VanDerWaalsContact NZ-CG2 3.26Å; K39-F61 HydrophobicContact CD-CE2 4.34Å; K39-F61 HydrophobicContact CG-CD2 4.4Å; K39-F61 HydrophobicContact CG-CE2 3.55Å; K39-F61 HydrophobicContact CG-CZ 4.25Å |
| 40 | N | 76.9 | Confident | 89 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -82.2 | -32.1 | -176 | -64.7 | -10.5 | 0 | 0 | 0 | 111.2 | S38 E56 | S38-N40 PolarHBondContact O-N 2.84Å; S38-N40 PolarHBondContact OG-N 3.31Å; N40-E56 PolarHBondContact ND2-OE2 3.19Å |
| 41 | E | 78.5 | Confident | 88.5 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -114.7 | 63.9 | 177.5 | -66.2 | -170.5 | -143.1 | 0 | 0 | 111.6 | S38 F43 R44 F46 | S38-E41 CarbonylContact O-C 3.23Å; E41-F43 PolarHBondContact O-N 2.62Å; E41-R44 HydrophobicContact CB-CB 4.21Å; E41-R44 PolarHBondContact O-N 3.31Å; E41-R44 VanDerWaalsContact O-N 3.08Å; E41-R44 VanDerWaalsContact OE2-CD 3.29Å; E41-R44 WeakPolarHBondContact OE2-CD 3.14Å; E41-F46 HydrophobicContact CB-CE2 4.32Å; E41-F46 WeakPolarHBondContact OE2-CZ 3.33Å |
| 42 | R | 73.3 | Confident | 87.9 | Confident | 198 Ų | 198 | 58.1 Ų | 58.1 | 75% | 0.747 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.8 | -170.4 | -63.8 | -173.2 | -178.8 | -174.3 | 1 | 115.4 | K39 | K39-R42 VanDerWaalsContact O-CG 3.28Å; K39-R42 WeakPolarHBondContact O-CG 3.39Å |
| 43 | F | 81.1 | Confident | 87.4 | Confident | 210 Ų | 210 | 61.6 Ų | 61.6 | 92% | 0.921 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -15.4 | -176.3 | -61.2 | -71.1 | 0 | 0 | 0 | 113.5 | E41 | E41-F43 PolarHBondContact O-N 2.62Š|
| 44 | R | 88.3 | Confident | 86.5 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 38% | 0.381 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 129.2 | 179.7 | -169.1 | 172.7 | -179.3 | -165.5 | -2.5 | 109.8 | E41 F46 E53 | E41-R44 HydrophobicContact CB-CB 4.21Å; E41-R44 PolarHBondContact O-N 3.31Å; E41-R44 VanDerWaalsContact O-N 3.08Å; E41-R44 VanDerWaalsContact OE2-CD 3.29Å; E41-R44 WeakPolarHBondContact OE2-CD 3.14Å; R44-F46 HydrophobicContact CB-CE2 4.17Å; R44-F46 HydrophobicContact CB-CZ 4.35Å; R44-F46 HydrophobicContact CG-CE1 4.35Å; R44-F46 HydrophobicContact CG-CE2 4.08Å; R44-F46 HydrophobicContact CG-CZ 3.99Å; R44-E53 IonicContact CZ-OE2 2.71Å; R44-E53 IonicContact NH1-OE2 2.72Å; R44-E53 IonicContact NH2-OE2 2.78Å; R44-E53 PolarHBondContact NH2-OE2 3.25Å |
| 45 | V | 90.6 | Very high | 85.5 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.1 | 169.9 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | I35 K37 I47 | I35-V45 HydrophobicContact CB-CG1 3.78Å; I35-V45 HydrophobicContact CD1-CG1 4.29Å; I35-V45 HydrophobicContact CG1-CG1 4.41Å; I35-V45 HydrophobicContact CG2-CG1 4.29Å; K37-V45 HydrophobicContact CG-CG2 4.28Å; V45-I47 HydrophobicContact CG1-CG1 4.36Å |
| 46 | F | 92.2 | Very high | 84.4 | Confident | 1 Ų | 1 | 73 Ų | 73 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.3 | 173.7 | -60.6 | -91.4 | 0 | 0 | 0 | 107.9 | I35 T36 E41 R44 Q50 L54 | I35-F46 CarbonylContact C-O 3.35Å; I35-F46 WeakPolarHBondContact CA-O 3.47Å; T36-F46 PolarHBondContact N-O 3.04Å; T36-F46 PolarHBondContact O-N 3.21Å; E41-F46 HydrophobicContact CB-CE2 4.32Å; E41-F46 WeakPolarHBondContact OE2-CZ 3.33Å; R44-F46 HydrophobicContact CB-CE2 4.17Å; R44-F46 HydrophobicContact CB-CZ 4.35Å; R44-F46 HydrophobicContact CG-CE1 4.35Å; R44-F46 HydrophobicContact CG-CE2 4.08Å; R44-F46 HydrophobicContact CG-CZ 3.99Å; F46-Q50 HydrophobicContact CB-CB 4.32Å; F46-Q50 HydrophobicContact CD1-CB 4.44Å; F46-Q50 WeakPolarHBondContact CD1-O 3.32Å; F46-L54 HydrophobicContact CD1-CD1 4.45Å; F46-L54 HydrophobicContact CD1-CD2 4.41Å; F46-L54 HydrophobicContact CD1-CG 3.98Å; F46-L54 HydrophobicContact CD2-CD1 3.97Å; F46-L54 HydrophobicContact CD2-CD2 4.08Å; F46-L54 HydrophobicContact CD2-CG 4.09Å; F46-L54 HydrophobicContact CE1-CD2 3.77Å; F46-L54 HydrophobicContact CE1-CG 3.74Å; F46-L54 HydrophobicContact CE2-CD1 4.16Å; F46-L54 HydrophobicContact CE2-CD2 3.42Å; F46-L54 VanDerWaalsContact CE2-CD2 3.42Å; F46-L54 HydrophobicContact CE2-CG 3.91Å; F46-L54 HydrophobicContact CG-CD1 4.12Å; F46-L54 HydrophobicContact CG-CG 4.13Å; F46-L54 HydrophobicContact CZ-CD1 4.45Å; F46-L54 HydrophobicContact CZ-CD2 3.21Å; F46-L54 HydrophobicContact CZ-CG 3.71Å |
| 47 | I | 94.7 | Very high | 83.4 | Confident | 28 Ų | 28 | 74.4 Ų | 74.4 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.3 | -177.3 | -56.4 | 171.6 | 0 | 0 | 0 | 108.4 | I35 V45 D49 Q50 I80 Y83 | I35-I47 HydrophobicContact CG2-CG1 4.34Å; V45-I47 HydrophobicContact CG1-CG1 4.36Å; I47-D49 PolarHBondContact O-N 2.94Å; I47-Q50 WeakPolarHBondContact O-CB 3.43Å; I47-Q50 VanDerWaalsContact O-CG 3.23Å; I47-Q50 WeakPolarHBondContact O-CG 3.32Å; I47-Q50 PolarHBondContact O-N 3Å; I47-I80 HydrophobicContact CG2-CB 4.39Å; I47-I80 HydrophobicContact CG2-CG1 4.04Å; I47-Y83 HydrophobicContact CB-CD1 4.49Å; I47-Y83 HydrophobicContact CB-CG 4.4Å; I47-Y83 HydrophobicContact CG2-CD1 3.94Å; I47-Y83 HydrophobicContact CG2-CG 4.01Å |
| 48 | S | 94.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | 57.2 | -122.6 | 173 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | F31 P32 C34 Q50 I51 | F31-S48 VanDerWaalsContact CB-OG 3.3Å; F31-S48 WeakPolarHBondContact CB-OG 3.31Å; F31-S48 VanDerWaalsContact CD1-OG 3.3Å; F31-S48 WeakPolarHBondContact CD1-OG 3.32Å; P32-S48 WeakPolarHBondContact O-CA 3.46Å; C34-S48 PolarHBondContact O-N 2.85Å; S48-Q50 VanDerWaalsContact C-N 3.28Å; S48-Q50 PolarHBondContact O-N 3.26Å; S48-I51 VanDerWaalsContact O-CG2 3.29Å; S48-I51 WeakPolarHBondContact O-CG2 3.41Å; S48-I51 PolarHBondContact O-N 2.73Å |
| 49 | D | 93.6 | Very high | 82.1 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 22% | 0.219 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -74.9 | -9.9 | -179.7 | 54.1 | -42.1 | 0 | 0 | 0 | 113 | F31 I47 I51 E52 Y83 | F31-D49 HydrophobicContact CD1-CB 4.23Å; F31-D49 WeakPolarHBondContact CD1-OD1 3.41Å; I47-D49 PolarHBondContact O-N 2.94Å; D49-I51 PolarHBondContact O-N 3.24Å; D49-E52 VanDerWaalsContact O-CB 3.25Å; D49-E52 WeakPolarHBondContact O-CB 3.23Å; D49-E52 WeakPolarHBondContact O-CG 3.45Å; D49-E52 PolarHBondContact O-N 3.11Å; D49-Y83 WeakPolarHBondContact OD1-CE1 3.49Å; D49-Y83 PolarHBondContact OD1-OH 3.47Å |
| 50 | Q | 92.7 | Very high | 82.1 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -60.7 | -17.3 | 168.2 | -62.5 | 175.4 | -6.3 | 0 | 0 | 112.4 | F46 I47 S48 E52 E53 Y83 | F46-Q50 HydrophobicContact CB-CB 4.32Å; F46-Q50 HydrophobicContact CD1-CB 4.44Å; F46-Q50 WeakPolarHBondContact CD1-O 3.32Å; I47-Q50 WeakPolarHBondContact O-CB 3.43Å; I47-Q50 VanDerWaalsContact O-CG 3.23Å; I47-Q50 WeakPolarHBondContact O-CG 3.32Å; I47-Q50 PolarHBondContact O-N 3Å; S48-Q50 VanDerWaalsContact C-N 3.28Å; S48-Q50 PolarHBondContact O-N 3.26Å; Q50-E52 PolarHBondContact O-N 2.96Å; Q50-E52 VanDerWaalsContact O-N 3.13Å; Q50-E53 VanDerWaalsContact O-CB 3.31Å; Q50-E53 WeakPolarHBondContact O-CB 3.06Å; Q50-E53 PolarHBondContact O-N 2.53Å; Q50-Y83 HydrophobicContact CG-CE2 4.29Å |
| 51 | I | 86 | Confident | 82.5 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -56.1 | -23.2 | 169.1 | -161.5 | 179.5 | 0 | 0 | 0 | 111.9 | P32 T36 S48 D49 E53 L54 L60 Y62 | P32-I51 HydrophobicContact CG-CG2 4.47Å; T36-I51 HydrophobicContact CG2-CD1 4.21Å; T36-I51 HydrophobicContact CG2-CG1 4.42Å; S48-I51 VanDerWaalsContact O-CG2 3.29Å; S48-I51 WeakPolarHBondContact O-CG2 3.41Å; S48-I51 PolarHBondContact O-N 2.73Å; D49-I51 PolarHBondContact O-N 3.24Å; I51-E53 PolarHBondContact O-N 3.21Å; I51-L54 HydrophobicContact CG1-CD1 3.92Å; I51-L54 WeakPolarHBondContact O-CB 3.47Å; I51-L54 PolarHBondContact O-N 2.91Å; I51-L60 HydrophobicContact CD1-CD1 4.03Å; I51-L60 HydrophobicContact CG1-CD1 4.4Å; I51-Y62 HydrophobicContact CD1-CE1 3.77Å |
| 52 | E | 84.3 | Confident | 82.8 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -68.6 | -24.2 | 177 | -63.9 | -175.9 | 175.2 | 0 | 0 | 113.2 | D49 Q50 L54 | D49-E52 VanDerWaalsContact O-CB 3.25Å; D49-E52 WeakPolarHBondContact O-CB 3.23Å; D49-E52 WeakPolarHBondContact O-CG 3.45Å; D49-E52 PolarHBondContact O-N 3.11Å; Q50-E52 PolarHBondContact O-N 2.96Å; Q50-E52 VanDerWaalsContact O-N 3.13Å; E52-L54 PolarHBondContact O-N 3.39Å |
| 53 | E | 83.9 | Confident | 83.6 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -72 | -17 | 175.4 | -56.4 | 178.1 | -149.4 | 0 | 0 | 112.8 | R44 Q50 I51 K55 | R44-E53 IonicContact CZ-OE2 2.71Å; R44-E53 IonicContact NH1-OE2 2.72Å; R44-E53 IonicContact NH2-OE2 2.78Å; R44-E53 PolarHBondContact NH2-OE2 3.25Å; Q50-E53 VanDerWaalsContact O-CB 3.31Å; Q50-E53 WeakPolarHBondContact O-CB 3.06Å; Q50-E53 PolarHBondContact O-N 2.53Å; I51-E53 PolarHBondContact O-N 3.21Å; E53-K55 PolarHBondContact O-N 2.86Å |
| 54 | L | 78.2 | Confident | 84.2 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | trans | -69.4 | 120.1 | 176 | -77.1 | 168.8 | 0 | 0 | 0 | 110.5 | F46 I51 E52 E56 R57 L60 | F46-L54 HydrophobicContact CD1-CD1 4.45Å; F46-L54 HydrophobicContact CD1-CD2 4.41Å; F46-L54 HydrophobicContact CD1-CG 3.98Å; F46-L54 HydrophobicContact CD2-CD1 3.97Å; F46-L54 HydrophobicContact CD2-CD2 4.08Å; F46-L54 HydrophobicContact CD2-CG 4.09Å; F46-L54 HydrophobicContact CE1-CD2 3.77Å; F46-L54 HydrophobicContact CE1-CG 3.74Å; F46-L54 HydrophobicContact CE2-CD1 4.16Å; F46-L54 HydrophobicContact CE2-CD2 3.42Å; F46-L54 VanDerWaalsContact CE2-CD2 3.42Å; F46-L54 HydrophobicContact CE2-CG 3.91Å; F46-L54 HydrophobicContact CG-CD1 4.12Å; F46-L54 HydrophobicContact CG-CG 4.13Å; F46-L54 HydrophobicContact CZ-CD1 4.45Å; F46-L54 HydrophobicContact CZ-CD2 3.21Å; F46-L54 HydrophobicContact CZ-CG 3.71Å; I51-L54 HydrophobicContact CG1-CD1 3.92Å; I51-L54 WeakPolarHBondContact O-CB 3.47Å; I51-L54 PolarHBondContact O-N 2.91Å; E52-L54 PolarHBondContact O-N 3.39Å; L54-E56 VanDerWaalsContact C-N 3.28Å; L54-E56 PolarHBondContact O-N 2.91Å; L54-R57 HydrophobicContact CB-CG 4.19Å; L54-L60 HydrophobicContact CD1-CD1 4.34Å; L54-L60 HydrophobicContact CD1-CD2 3.77Å | ||
| 55 | K | 73.2 | Confident | 84.5 | Confident | 169 Ų | 169 | 52.3 Ų | 52.3 | 74% | 0.735 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -64.3 | -34.7 | 171.5 | -65.4 | -176.7 | 179.5 | -180 | 0 | 112.1 | E53 | E53-K55 PolarHBondContact O-N 2.86Š|
| 56 | E | 71.7 | Confident | 84.7 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | trans | -123.5 | 113.8 | -175.9 | -65.7 | -178.1 | 141.5 | 0 | 0 | 109.8 | N40 L54 Y58 | N40-E56 PolarHBondContact ND2-OE2 3.19Å; L54-E56 VanDerWaalsContact C-N 3.28Å; L54-E56 PolarHBondContact O-N 2.91Å; E56-Y58 HydrophobicContact CB-CD1 3.99Å; E56-Y58 HydrophobicContact CB-CE1 3.49Å; E56-Y58 VanDerWaalsContact CB-CE1 3.49Å; E56-Y58 HydrophobicContact CG-CE1 3.65Å; E56-Y58 PolarHBondContact OE1-OH 3.37Å; E56-Y58 PolarHBondContact OE2-OH 2.83Å; E56-Y58 VanDerWaalsContact OE2-OH 3.05Å | ||
| 57 | R | 69.1 | Low | 84.7 | Confident | 30 Ų | 30 | 55.1 Ų | 55.1 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | trans | -107.1 | 28.7 | -179.3 | -44.2 | -179.9 | -172.1 | 172 | 2.9 | 114 | L54 L60 Y245 | L54-R57 HydrophobicContact CB-CG 4.19Å; R57-L60 HydrophobicContact CB-CD1 3.66Å; R57-L60 HydrophobicContact CG-CD1 4.48Å; R57-L60 WeakPolarHBondContact O-CD1 3.26Å; R57-Y245 HydrophobicContact CB-CD1 4.23Å; R57-Y245 HydrophobicContact CB-CE1 3.49Å; R57-Y245 VanDerWaalsContact CB-CE1 3.49Å; R57-Y245 HydrophobicContact CB-CE2 4.27Å; R57-Y245 HydrophobicContact CG-CD1 4.14Å; R57-Y245 HydrophobicContact CG-CE1 3.64Å | ||
| 58 | Y | 70 | Confident | 84.5 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 38% | 0.384 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -92.4 | 151.2 | 170.5 | 55.1 | -96.5 | 0 | 0 | 0 | 111.2 | E56 L60 Y245 | E56-Y58 HydrophobicContact CB-CD1 3.99Å; E56-Y58 HydrophobicContact CB-CE1 3.49Å; E56-Y58 VanDerWaalsContact CB-CE1 3.49Å; E56-Y58 HydrophobicContact CG-CE1 3.65Å; E56-Y58 PolarHBondContact OE1-OH 3.37Å; E56-Y58 PolarHBondContact OE2-OH 2.83Å; E56-Y58 VanDerWaalsContact OE2-OH 3.05Å; Y58-L60 VanDerWaalsContact C-N 3.31Å; Y58-L60 PolarHBondContact O-N 2.9Å; Y58-Y245 HydrophobicContact CD1-CD2 4.2Å |
| 59 | T | 73.9 | Confident | 84.4 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 55.1 | 42.8 | 174.9 | -38.1 | 0 | 0 | 0 | 0 | 114.6 | K39 E202 | K39-T59 HydrophobicContact CD-CG2 3.48Å; K39-T59 VanDerWaalsContact CD-CG2 3.48Å; K39-T59 HydrophobicContact CG-CG2 4.24Å; K39-T59 VanDerWaalsContact NZ-CG2 3.26Å; T59-E202 PolarHBondContact N-OE1 2.67Å |
| 60 | L | 78.6 | Confident | 84.4 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 139.1 | 179 | -64.2 | 177.4 | 0 | 0 | 0 | 111.7 | T36 I51 L54 R57 Y58 Y62 | T36-L60 HydrophobicContact CG2-CB 3.78Å; T36-L60 HydrophobicContact CG2-CD1 4.01Å; T36-L60 HydrophobicContact CG2-CD2 3.93Å; T36-L60 HydrophobicContact CG2-CG 4.11Å; I51-L60 HydrophobicContact CD1-CD1 4.03Å; I51-L60 HydrophobicContact CG1-CD1 4.4Å; L54-L60 HydrophobicContact CD1-CD1 4.34Å; L54-L60 HydrophobicContact CD1-CD2 3.77Å; R57-L60 HydrophobicContact CB-CD1 3.66Å; R57-L60 HydrophobicContact CG-CD1 4.48Å; R57-L60 WeakPolarHBondContact O-CD1 3.26Å; Y58-L60 VanDerWaalsContact C-N 3.31Å; Y58-L60 PolarHBondContact O-N 2.9Å; L60-Y62 HydrophobicContact CB-CD2 4.23Å; L60-Y62 HydrophobicContact CB-CE2 3.55Å; L60-Y62 HydrophobicContact CD1-CE2 4.38Å; L60-Y62 WeakPolarHBondContact CD1-OH 3.43Å |
| 61 | F | 83.8 | Confident | 84.4 | Confident | 123 Ų | 123 | 60.3 Ų | 60.3 | 54% | 0.539 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 106.2 | 170.3 | -64 | -76.1 | 0 | 0 | 0 | 109.7 | T36 K37 K39 | T36-F61 WeakPolarHBondContact CA-O 3.4Å; K37-F61 HydrophobicContact CB-CB 4.34Å; K37-F61 PolarHBondContact N-O 3.39Å; K37-F61 PolarHBondContact O-N 3.15Å; K39-F61 HydrophobicContact CD-CE2 4.34Å; K39-F61 HydrophobicContact CG-CD2 4.4Å; K39-F61 HydrophobicContact CG-CE2 3.55Å; K39-F61 HydrophobicContact CG-CZ 4.25Å |
| 62 | Y | 84.6 | Confident | 84.7 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.2 | 175.7 | -64.8 | -88.3 | 0 | 0 | 0 | 110.8 | T36 I51 L60 Y204 | T36-Y62 HydrophobicContact CG2-CE1 4.33Å; I51-Y62 HydrophobicContact CD1-CE1 3.77Å; L60-Y62 HydrophobicContact CB-CD2 4.23Å; L60-Y62 HydrophobicContact CB-CE2 3.55Å; L60-Y62 HydrophobicContact CD1-CE2 4.38Å; L60-Y62 WeakPolarHBondContact CD1-OH 3.43Å; Y62-Y204 HydrophobicContact CE1-CD2 4.49Å; Y62-Y204 WeakPolarHBondContact OH-CB 3.27Å |
| 63 | Q | 91.1 | Very high | 85.2 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 109.5 | 167.7 | 177.4 | 167.4 | -6 | 0 | 0 | 108.8 | C34 I35 K73 V76 | C34-Q63 WeakPolarHBondContact CA-O 3.4Å; I35-Q63 HydrophobicContact CD1-CB 4.23Å; I35-Q63 HydrophobicContact CD1-CG 4.24Å; I35-Q63 HydrophobicContact CG1-CB 3.68Å; I35-Q63 HydrophobicContact CG1-CG 4.12Å; I35-Q63 PolarHBondContact N-O 3.41Å; I35-Q63 PolarHBondContact O-N 3.47Å; Q63-K73 HydrophobicContact CG-CD 4.18Å; Q63-V76 VanDerWaalsContact CD-CG2 3.48Å; Q63-V76 HydrophobicContact CG-CG1 4.19Å; Q63-V76 HydrophobicContact CG-CG2 3.59Å |
| 64 | L | 93.5 | Very high | 85.6 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | trans | -89.5 | 138 | 174.5 | -65.6 | 164.5 | 0 | 0 | 0 | 109.4 | N33 C34 F66 Y156 | N33-L64 VanDerWaalsContact O-CD2 3.31Å; N33-L64 WeakPolarHBondContact O-CD2 3.28Å; C34-L64 HydrophobicContact CB-CD2 3.85Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-Y156 HydrophobicContact CD1-CE1 3.91Å; L64-Y156 WeakPolarHBondContact CD1-OH 3.47Å | ||
| 65 | P | 95.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -70.3 | -30.3 | 172.8 | 20.7 | -20.7 | 0 | 0 | 0 | 112.3 | N33 L71 V72 K73 V76 Q77 I80 | N33-P65 WeakPolarHBondContact O-CD 3.25Å; N33-P65 WeakPolarHBondContact OD1-CG 3.2Å; P65-L71 HydrophobicContact CB-CD1 3.71Å; P65-V72 PolarHBondContact O-N 3.4Å; P65-K73 PolarHBondContact O-N 2.9Å; P65-V76 HydrophobicContact CB-CB 4.12Å; P65-V76 HydrophobicContact CB-CG1 4.11Å; P65-V76 HydrophobicContact CG-CG1 4.27Å; P65-Q77 HydrophobicContact CB-CB 3.86Å; P65-Q77 HydrophobicContact CG-CB 4.43Å; P65-I80 HydrophobicContact CG-CD1 4.05Å |
| 66 | F | 93.9 | Very high | 87.4 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.6 | -179.1 | -75.6 | -103.7 | 0 | 0 | 0 | 113.4 | N13 N33 L64 M70 L71 P104 | N13-F66 WeakPolarHBondContact O-CZ 3.25Å; N33-F66 WeakPolarHBondContact ND2-CE2 3.48Å; L64-F66 VanDerWaalsContact C-N 3.3Å; F66-M70 CarbonylContact C-O 3.52Å; F66-M70 WeakPolarHBondContact CA-O 3.4Å; F66-M70 VanDerWaalsContact CD1-C 3.41Å; F66-L71 HydrophobicContact CD1-CB 4.38Å; F66-L71 HydrophobicContact CD2-CD1 4.42Å; F66-L71 HydrophobicContact CE1-CB 3.97Å; F66-L71 HydrophobicContact CE2-CB 4.37Å; F66-L71 HydrophobicContact CE2-CD1 4.21Å; F66-L71 HydrophobicContact CZ-CB 3.96Å; F66-P104 HydrophobicContact CE1-CG 3.85Å |
| 67 | Q | 92 | Very high | 88.6 | Confident | 91 Ų | 91 | 51.9 Ų | 51.9 | 43% | 0.425 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.6 | 168.1 | -61.7 | -172.6 | -10 | 0 | 0 | 109.7 | G69 M70 V72 | Q67-G69 PolarHBondContact O-N 3.5Å; Q67-G69 VanDerWaalsContact O-N 3.1Å; Q67-M70 PolarHBondContact N-O 3.12Å; Q67-M70 PolarHBondContact O-N 2.98Å; Q67-V72 HydrophobicContact CB-CG2 4.01Å; Q67-V72 HydrophobicContact CG-CB 4.41Å; Q67-V72 HydrophobicContact CG-CG2 4.44Å |
| 68 | K | 91 | Very high | 89.9 | Confident | 162 Ų | 162 | 55.8 Ų | 55.8 | 70% | 0.704 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 41.2 | 179.4 | -59.3 | -175.2 | 175.4 | -172.9 | 0 | 112.8 | M70 R176 | K68-M70 VanDerWaalsContact C-N 3.3Å; K68-M70 PolarHBondContact O-N 3.42Å; K68-R176 PolarHBondContact O-NH1 3.2Å; K68-R176 PolarHBondContact O-NH2 3.26Å |
| 69 | G | 91.9 | Very high | 91.2 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -0.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q67 P104 S157 | Q67-G69 PolarHBondContact O-N 3.5Å; Q67-G69 VanDerWaalsContact O-N 3.1Å; G69-P104 WeakPolarHBondContact O-CB 3.15Å; G69-P104 VanDerWaalsContact O-CG 3.23Å; G69-P104 WeakPolarHBondContact O-CG 3.35Å; G69-S157 PolarHBondContact N-OG 2.94Å |
| 70 | M | 93.2 | Very high | 92.3 | Very high | 32 Ų | 32 | 52.9 Ų | 52.9 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.9 | -178.9 | -54 | -58.4 | -71.7 | 0 | 0 | 111.1 | F66 Q67 K68 V72 P104 I108 | F66-M70 CarbonylContact C-O 3.52Å; F66-M70 WeakPolarHBondContact CA-O 3.4Å; F66-M70 VanDerWaalsContact CD1-C 3.41Å; Q67-M70 PolarHBondContact N-O 3.12Å; Q67-M70 PolarHBondContact O-N 2.98Å; K68-M70 VanDerWaalsContact C-N 3.3Å; K68-M70 PolarHBondContact O-N 3.42Å; M70-V72 HydrophobicContact CB-CG2 4.23Å; M70-V72 PolarHBondContact O-N 2.63Å; M70-P104 HydrophobicContact SD-CB 4.03Å; M70-I108 HydrophobicContact CE-CB 4.39Å; M70-I108 HydrophobicContact CE-CD1 4.25Å; M70-I108 HydrophobicContact CE-CG1 3.96Å |
| 71 | L | 93.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 108.1 | 170.1 | 174.7 | 55.5 | 0 | 0 | 0 | 109 | P65 F66 Y74 Q77 F113 | P65-L71 HydrophobicContact CB-CD1 3.71Å; F66-L71 HydrophobicContact CD1-CB 4.38Å; F66-L71 HydrophobicContact CD2-CD1 4.42Å; F66-L71 HydrophobicContact CE1-CB 3.97Å; F66-L71 HydrophobicContact CE2-CB 4.37Å; F66-L71 HydrophobicContact CE2-CD1 4.21Å; F66-L71 HydrophobicContact CZ-CB 3.96Å; L71-Y74 HydrophobicContact CD2-CD1 3.99Å; L71-Y74 HydrophobicContact CD2-CE1 3.47Å; L71-Y74 VanDerWaalsContact CD2-CE1 3.47Å; L71-Y74 HydrophobicContact CD2-CE2 4.17Å; L71-Y74 HydrophobicContact CG-CD1 4.41Å; L71-Y74 HydrophobicContact CG-CD2 4.22Å; L71-Y74 HydrophobicContact CG-CE1 4.06Å; L71-Y74 HydrophobicContact CG-CE2 3.86Å; L71-Y74 HydrophobicContact CG-CG 4.49Å; L71-Q77 HydrophobicContact CD1-CB 3.72Å; L71-Q77 HydrophobicContact CD1-CG 3.97Å; L71-Q77 HydrophobicContact CD2-CB 4.48Å; L71-Q77 HydrophobicContact CD2-CG 4.09Å; L71-F113 HydrophobicContact CD2-CD2 3.87Å; L71-F113 HydrophobicContact CD2-CE2 3.98Å |
| 72 | V | 93.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 50 Ų | 50 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | trans | -109.8 | -40.5 | -176.2 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | P65 Q67 M70 Y74 | P65-V72 PolarHBondContact O-N 3.4Å; Q67-V72 HydrophobicContact CB-CG2 4.01Å; Q67-V72 HydrophobicContact CG-CB 4.41Å; Q67-V72 HydrophobicContact CG-CG2 4.44Å; M70-V72 HydrophobicContact CB-CG2 4.23Å; M70-V72 PolarHBondContact O-N 2.63Å; V72-Y74 PolarHBondContact O-N 2.76Å | ||
| 73 | K | 94.1 | Very high | 94.5 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 32% | 0.317 | 23% | 0.232 | S | C | . | . | trans | -100.5 | 82.8 | -177.4 | -53.5 | -176.9 | 175 | -175.3 | 0 | 111 | Q63 P65 D75 V76 Q77 | Q63-K73 HydrophobicContact CG-CD 4.18Å; P65-K73 PolarHBondContact O-N 2.9Å; K73-D75 VanDerWaalsContact C-N 3.31Å; K73-D75 PolarHBondContact O-N 2.68Å; K73-V76 HydrophobicContact CB-CB 4.12Å; K73-V76 HydrophobicContact CB-CG2 3.71Å; K73-V76 HydrophobicContact CD-CG2 4.08Å; K73-V76 WeakPolarHBondContact O-CB 3.24Å; K73-V76 PolarHBondContact O-N 3.28Å; K73-V76 VanDerWaalsContact O-N 3.16Å; K73-Q77 PolarHBondContact O-N 2.79Å | ||
| 74 | Y | 93 | Very high | 94.8 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 13% | 0.125 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -37.5 | 179.4 | -83.5 | -93 | 0 | 0 | 0 | 113.1 | L71 V72 V76 Q77 R78 S109 L112 F113 | L71-Y74 HydrophobicContact CD2-CD1 3.99Å; L71-Y74 HydrophobicContact CD2-CE1 3.47Å; L71-Y74 VanDerWaalsContact CD2-CE1 3.47Å; L71-Y74 HydrophobicContact CD2-CE2 4.17Å; L71-Y74 HydrophobicContact CG-CD1 4.41Å; L71-Y74 HydrophobicContact CG-CD2 4.22Å; L71-Y74 HydrophobicContact CG-CE1 4.06Å; L71-Y74 HydrophobicContact CG-CE2 3.86Å; L71-Y74 HydrophobicContact CG-CG 4.49Å; V72-Y74 PolarHBondContact O-N 2.76Å; Y74-V76 PolarHBondContact O-N 3.4Å; Y74-V76 VanDerWaalsContact O-N 3.16Å; Y74-Q77 PolarHBondContact O-N 3.31Å; Y74-Q77 VanDerWaalsContact O-N 3.08Å; Y74-R78 WeakPolarHBondContact O-CB 3.42Å; Y74-R78 PolarHBondContact O-N 3Å; Y74-S109 PolarHBondContact OH-O 3.15Å; Y74-L112 HydrophobicContact CD1-CD2 4.3Å; Y74-L112 HydrophobicContact CD1-CG 4.36Å; Y74-L112 HydrophobicContact CD2-CD2 3.75Å; Y74-L112 HydrophobicContact CE1-CD2 4.3Å; Y74-L112 HydrophobicContact CE1-CG 4.17Å; Y74-L112 HydrophobicContact CE2-CD2 3.75Å; Y74-L112 HydrophobicContact CE2-CG 4.41Å; Y74-L112 HydrophobicContact CG-CD2 4.03Å; Y74-F113 HydrophobicContact CE1-CD2 4.22Å |
| 75 | D | 93.7 | Very high | 95 | Very high | 127 Ų | 127 | 44.7 Ų | 44.7 | 68% | 0.679 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.3 | -30.3 | 177.5 | -54.5 | -43.5 | 0 | 0 | 0 | 113.4 | K73 Q79 | K73-D75 VanDerWaalsContact C-N 3.31Å; K73-D75 PolarHBondContact O-N 2.68Å; D75-Q79 PolarHBondContact O-N 3.05Å; D75-Q79 PolarHBondContact O-NE2 2.71Å |
| 76 | V | 95.8 | Very high | 95 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -77.1 | -45.3 | 176.4 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | I35 Q63 P65 K73 Y74 R78 Q79 I80 | I35-V76 HydrophobicContact CD1-CG1 4.02Å; I35-V76 HydrophobicContact CD1-CG2 4.22Å; I35-V76 HydrophobicContact CG1-CG1 3.93Å; I35-V76 HydrophobicContact CG2-CG1 4.14Å; Q63-V76 VanDerWaalsContact CD-CG2 3.48Å; Q63-V76 HydrophobicContact CG-CG1 4.19Å; Q63-V76 HydrophobicContact CG-CG2 3.59Å; P65-V76 HydrophobicContact CB-CB 4.12Å; P65-V76 HydrophobicContact CB-CG1 4.11Å; P65-V76 HydrophobicContact CG-CG1 4.27Å; K73-V76 HydrophobicContact CB-CB 4.12Å; K73-V76 HydrophobicContact CB-CG2 3.71Å; K73-V76 HydrophobicContact CD-CG2 4.08Å; K73-V76 WeakPolarHBondContact O-CB 3.24Å; K73-V76 PolarHBondContact O-N 3.28Å; K73-V76 VanDerWaalsContact O-N 3.16Å; Y74-V76 PolarHBondContact O-N 3.4Å; Y74-V76 VanDerWaalsContact O-N 3.16Å; V76-R78 VanDerWaalsContact C-N 3.28Å; V76-R78 PolarHBondContact O-N 3.39Å; V76-Q79 PolarHBondContact O-N 2.97Å; V76-I80 HydrophobicContact CG1-CD1 4.07Å; V76-I80 WeakPolarHBondContact O-CG1 3.35Å; V76-I80 PolarHBondContact O-N 2.82Å |
| 77 | Q | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 179.6 | -171.3 | 63.3 | 67.9 | 0 | 0 | 111.3 | N13 N33 P65 L71 K73 Y74 I80 W81 | N13-Q77 PolarHBondContact OD1-NE2 3.33Å; N13-Q77 PolarHBondContact OD1-OE1 3.3Å; N33-Q77 PolarHBondContact ND2-OE1 2.67Å; N33-Q77 PolarHBondContact OD1-OE1 2.83Å; P65-Q77 HydrophobicContact CB-CB 3.86Å; P65-Q77 HydrophobicContact CG-CB 4.43Å; L71-Q77 HydrophobicContact CD1-CB 3.72Å; L71-Q77 HydrophobicContact CD1-CG 3.97Å; L71-Q77 HydrophobicContact CD2-CB 4.48Å; L71-Q77 HydrophobicContact CD2-CG 4.09Å; K73-Q77 PolarHBondContact O-N 2.79Å; Y74-Q77 PolarHBondContact O-N 3.31Å; Y74-Q77 VanDerWaalsContact O-N 3.08Å; Q77-I80 WeakPolarHBondContact O-CB 3.34Å; Q77-I80 PolarHBondContact O-N 3.29Å; Q77-W81 HydrophobicContact CG-CD2 3.83Å; Q77-W81 HydrophobicContact CG-CE3 4.14Å; Q77-W81 HydrophobicContact CG-CG 4.44Å; Q77-W81 HydrophobicContact CG-CH2 4.08Å; Q77-W81 HydrophobicContact CG-CZ2 3.72Å; Q77-W81 HydrophobicContact CG-CZ3 4.26Å; Q77-W81 VanDerWaalsContact NE2-CD1 3.29Å; Q77-W81 PolarHBondContact O-N 3.11Å |
| 78 | R | 95.6 | Very high | 95.1 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 43% | 0.426 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59 | -49.2 | 175.8 | -172.6 | 179.1 | 179.8 | 143.7 | 9.3 | 111.6 | Y74 V76 I80 W81 D82 D120 Y121 | Y74-R78 WeakPolarHBondContact O-CB 3.42Å; Y74-R78 PolarHBondContact O-N 3Å; V76-R78 VanDerWaalsContact C-N 3.28Å; V76-R78 PolarHBondContact O-N 3.39Å; R78-I80 PolarHBondContact O-N 2.81Å; R78-W81 PolarHBondContact O-N 3.11Å; R78-D82 WeakPolarHBondContact O-CB 3.37Å; R78-D82 PolarHBondContact O-N 3.14Å; R78-D120 IonicContact CZ-OD2 2.75Å; R78-D120 VanDerWaalsContact CZ-OD2 3.24Å; R78-D120 IonicContact NH1-OD2 2.79Å; R78-D120 PolarHBondContact NH1-OD2 3.42Å; R78-D120 IonicContact NH2-OD2 3.59Å; R78-D120 PolarHBondContact NH2-OD2 3.38Å; R78-Y121 PolarHBondContact O-OH 3.07Å |
| 79 | Q | 96.5 | Very high | 95.4 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 34% | 0.341 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.9 | -38.1 | 175.4 | -76.2 | 169.6 | 75.9 | 0 | 0 | 112.8 | I35 D75 V76 Y83 | I35-Q79 HydrophobicContact CG2-CB 4.49Å; D75-Q79 PolarHBondContact O-N 3.05Å; D75-Q79 PolarHBondContact O-NE2 2.71Å; V76-Q79 PolarHBondContact O-N 2.97Å; Q79-Y83 PolarHBondContact O-N 2.75Å |
| 80 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.2 | -46.1 | 178.5 | -64.1 | 165 | 0 | 0 | 0 | 110.5 | I18 N33 I35 I47 P65 V76 Q77 R78 Y83 L84 | I18-I80 HydrophobicContact CD1-CG2 3.66Å; N33-I80 VanDerWaalsContact OD1-CD1 3.26Å; N33-I80 WeakPolarHBondContact OD1-CD1 3.37Å; I35-I80 HydrophobicContact CG2-CD1 4.31Å; I35-I80 HydrophobicContact CG2-CG1 3.94Å; I47-I80 HydrophobicContact CG2-CB 4.39Å; I47-I80 HydrophobicContact CG2-CG1 4.04Å; P65-I80 HydrophobicContact CG-CD1 4.05Å; V76-I80 HydrophobicContact CG1-CD1 4.07Å; V76-I80 WeakPolarHBondContact O-CG1 3.35Å; V76-I80 PolarHBondContact O-N 2.82Å; Q77-I80 WeakPolarHBondContact O-CB 3.34Å; Q77-I80 PolarHBondContact O-N 3.29Å; R78-I80 PolarHBondContact O-N 2.81Å; I80-Y83 PolarHBondContact O-N 3.4Å; I80-L84 HydrophobicContact CG2-CD1 3.87Å; I80-L84 HydrophobicContact CG2-CG 4.33Å; I80-L84 WeakPolarHBondContact O-CB 3.33Å; I80-L84 VanDerWaalsContact O-CG 3.26Å; I80-L84 WeakPolarHBondContact O-CG 3.37Å; I80-L84 PolarHBondContact O-N 2.82Å |
| 81 | W | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 178 | -73 | -14.6 | 0 | 0 | 0 | 113 | N13 Q77 R78 Y83 L84 F85 I101 F113 V116 L117 Y121 | N13-W81 WeakPolarHBondContact ND2-CZ2 3.1Å; Q77-W81 HydrophobicContact CG-CD2 3.83Å; Q77-W81 HydrophobicContact CG-CE3 4.14Å; Q77-W81 HydrophobicContact CG-CG 4.44Å; Q77-W81 HydrophobicContact CG-CH2 4.08Å; Q77-W81 HydrophobicContact CG-CZ2 3.72Å; Q77-W81 HydrophobicContact CG-CZ3 4.26Å; Q77-W81 VanDerWaalsContact NE2-CD1 3.29Å; Q77-W81 PolarHBondContact O-N 3.11Å; R78-W81 PolarHBondContact O-N 3.11Å; W81-Y83 VanDerWaalsContact C-N 3.27Å; W81-Y83 PolarHBondContact O-N 3.07Å; W81-L84 PolarHBondContact O-N 2.96Å; W81-L84 VanDerWaalsContact O-N 3.16Å; W81-F85 HydrophobicContact CB-CD2 4.18Å; W81-F85 HydrophobicContact CB-CE2 3.82Å; W81-F85 HydrophobicContact CB-CZ 4.36Å; W81-F85 HydrophobicContact CG-CE2 4.19Å; W81-F85 HydrophobicContact CG-CZ 4.34Å; W81-F85 WeakPolarHBondContact O-CB 3.33Å; W81-F85 VanDerWaalsContact O-CD2 3.32Å; W81-F85 WeakPolarHBondContact O-CD2 3.48Å; W81-F85 VanDerWaalsContact O-CG 3.29Å; W81-F85 WeakPolarHBondContact O-CG 3.3Å; W81-F85 PolarHBondContact O-N 3.34Å; W81-I101 HydrophobicContact CH2-CD1 4.11Å; W81-I101 HydrophobicContact CZ2-CD1 3.68Å; W81-F113 HydrophobicContact CH2-CD2 4.06Å; W81-F113 AromaticContact CH2-CE2 3.48Å; W81-F113 HydrophobicContact CH2-CE2 3.48Å; W81-F113 VanDerWaalsContact CH2-CE2 3.48Å; W81-F113 HydrophobicContact CH2-CZ 4.08Å; W81-F113 AromaticContact CZ2-CE2 3.93Å; W81-F113 HydrophobicContact CZ2-CE2 3.93Å; W81-F113 HydrophobicContact CZ2-CZ 4.35Å; W81-V116 HydrophobicContact CE3-CG1 4.34Å; W81-V116 HydrophobicContact CZ3-CG1 3.89Å; W81-L117 HydrophobicContact CH2-CD2 4.19Å; W81-L117 HydrophobicContact CZ3-CD2 4.08Å; W81-Y121 HydrophobicContact CB-CE2 4.37Å; W81-Y121 WeakPolarHBondContact CB-OH 3.44Å; W81-Y121 HydrophobicContact CE3-CD2 4.48Å; W81-Y121 AromaticContact CE3-CE2 3.66Å; W81-Y121 HydrophobicContact CE3-CE2 3.66Å; W81-Y121 HydrophobicContact CZ3-CE2 4.32Å |
| 82 | D | 97.3 | Very high | 95.8 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.3 | -45.9 | 174.2 | -68.2 | -13.3 | 0 | 0 | 0 | 110.5 | R78 S86 Y121 | R78-D82 WeakPolarHBondContact O-CB 3.37Å; R78-D82 PolarHBondContact O-N 3.14Å; D82-S86 WeakPolarHBondContact O-CB 3.23Å; D82-S86 PolarHBondContact O-N 3.3Å; D82-S86 VanDerWaalsContact O-N 3.16Å; D82-Y121 VanDerWaalsContact OD1-CE1 3.26Å; D82-Y121 WeakPolarHBondContact OD1-CE1 3.21Å; D82-Y121 VanDerWaalsContact OD1-CZ 3.31Å; D82-Y121 PolarHBondContact OD1-OH 2.97Å |
| 83 | Y | 97.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 14% | 0.137 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -48.5 | 174.9 | 170.4 | -107 | 0 | 0 | 0 | 112.2 | I47 D49 Q50 Q79 I80 W81 F85 S86 C89 | I47-Y83 HydrophobicContact CB-CD1 4.49Å; I47-Y83 HydrophobicContact CB-CG 4.4Å; I47-Y83 HydrophobicContact CG2-CD1 3.94Å; I47-Y83 HydrophobicContact CG2-CG 4.01Å; D49-Y83 WeakPolarHBondContact OD1-CE1 3.49Å; D49-Y83 PolarHBondContact OD1-OH 3.47Å; Q50-Y83 HydrophobicContact CG-CE2 4.29Å; Q79-Y83 PolarHBondContact O-N 2.75Å; I80-Y83 PolarHBondContact O-N 3.4Å; W81-Y83 VanDerWaalsContact C-N 3.27Å; W81-Y83 PolarHBondContact O-N 3.07Å; Y83-F85 PolarHBondContact O-N 3Å; Y83-S86 WeakPolarHBondContact O-CB 3.28Å; Y83-S86 PolarHBondContact O-N 2.69Å; Y83-S86 PolarHBondContact O-OG 3.19Å; Y83-C89 HydrophobicContact CE1-CB 4.25Å; Y83-C89 HydrophobicContact CE2-CB 4.17Å; Y83-C89 WeakPolarHBondContact O-CB 3.27Å |
| 84 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -46 | -178.6 | -74.8 | 172.9 | 0 | 0 | 0 | 112.1 | L11 I18 F31 I80 W81 S86 M90 | L11-L84 HydrophobicContact CD1-CD1 4.5Å; I18-L84 HydrophobicContact CD1-CD1 3.73Å; I18-L84 HydrophobicContact CG2-CD1 3.97Å; F31-L84 HydrophobicContact CB-CD2 4.15Å; F31-L84 HydrophobicContact CD1-CD2 3.71Å; F31-L84 HydrophobicContact CD2-CD2 3.47Å; F31-L84 VanDerWaalsContact CD2-CD2 3.47Å; F31-L84 HydrophobicContact CE1-CD2 3.83Å; F31-L84 HydrophobicContact CE2-CD2 3.6Å; F31-L84 HydrophobicContact CG-CD2 3.5Å; F31-L84 VanDerWaalsContact CG-CD2 3.5Å; F31-L84 HydrophobicContact CZ-CD2 3.77Å; I80-L84 HydrophobicContact CG2-CD1 3.87Å; I80-L84 HydrophobicContact CG2-CG 4.33Å; I80-L84 WeakPolarHBondContact O-CB 3.33Å; I80-L84 VanDerWaalsContact O-CG 3.26Å; I80-L84 WeakPolarHBondContact O-CG 3.37Å; I80-L84 PolarHBondContact O-N 2.82Å; W81-L84 PolarHBondContact O-N 2.96Å; W81-L84 VanDerWaalsContact O-N 3.16Å; L84-S86 VanDerWaalsContact C-N 3.29Å; L84-S86 PolarHBondContact O-N 2.77Å; L84-M90 WeakPolarHBondContact O-CB 3.5Å; L84-M90 WeakPolarHBondContact O-CG 3.36Å; L84-M90 PolarHBondContact O-N 3.05Å; L84-M90 VanDerWaalsContact O-N 3.16Å |
| 85 | F | 97.4 | Very high | 96 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76 | -18 | -178 | -59.1 | -29.4 | 0 | 0 | 0 | 113.2 | F9 L11 W81 Y83 V92 Y121 F123 | F9-F85 HydrophobicContact CD1-CE1 4.21Å; F9-F85 HydrophobicContact CE1-CD1 4.23Å; F9-F85 AromaticContact CE1-CE1 3.75Å; F9-F85 HydrophobicContact CE1-CE1 3.75Å; F9-F85 HydrophobicContact CZ-CE1 4.47Å; L11-F85 HydrophobicContact CD2-CE1 4.05Å; L11-F85 HydrophobicContact CD2-CZ 3.84Å; W81-F85 HydrophobicContact CB-CD2 4.18Å; W81-F85 HydrophobicContact CB-CE2 3.82Å; W81-F85 HydrophobicContact CB-CZ 4.36Å; W81-F85 HydrophobicContact CG-CE2 4.19Å; W81-F85 HydrophobicContact CG-CZ 4.34Å; W81-F85 WeakPolarHBondContact O-CB 3.33Å; W81-F85 VanDerWaalsContact O-CD2 3.32Å; W81-F85 WeakPolarHBondContact O-CD2 3.48Å; W81-F85 VanDerWaalsContact O-CG 3.29Å; W81-F85 WeakPolarHBondContact O-CG 3.3Å; W81-F85 PolarHBondContact O-N 3.34Å; Y83-F85 PolarHBondContact O-N 3Å; F85-V92 HydrophobicContact CB-CB 4.13Å; F85-V92 HydrophobicContact CB-CG2 4.48Å; F85-V92 HydrophobicContact CD1-CB 4.07Å; F85-V92 HydrophobicContact CD1-CG1 4.37Å; F85-V92 HydrophobicContact CD1-CG2 3.85Å; F85-V92 HydrophobicContact CG-CB 4.38Å; F85-V92 PolarHBondContact O-N 3.29Å; F85-Y121 AromaticContact CD2-CD1 3.75Å; F85-Y121 HydrophobicContact CD2-CD1 3.75Å; F85-Y121 AromaticContact CD2-CE1 3.72Å; F85-Y121 HydrophobicContact CD2-CE1 3.72Å; F85-Y121 HydrophobicContact CD2-CG 4.39Å; F85-Y121 HydrophobicContact CE2-CD1 4.04Å; F85-Y121 HydrophobicContact CE2-CD2 4.44Å; F85-Y121 HydrophobicContact CE2-CE1 4.07Å; F85-Y121 HydrophobicContact CE2-CE2 4.48Å; F85-Y121 HydrophobicContact CE2-CG 4.24Å; F85-F123 HydrophobicContact CD1-CZ 4.49Å; F85-F123 HydrophobicContact CD2-CE2 4.4Å; F85-F123 HydrophobicContact CD2-CZ 4.2Å; F85-F123 HydrophobicContact CE1-CZ 4.08Å; F85-F123 AromaticContact CE2-CE2 3.78Å; F85-F123 HydrophobicContact CE2-CE2 3.78Å; F85-F123 AromaticContact CE2-CZ 3.75Å; F85-F123 HydrophobicContact CE2-CZ 3.75Å; F85-F123 HydrophobicContact CZ-CE2 4.02Å; F85-F123 AromaticContact CZ-CZ 3.69Å; F85-F123 HydrophobicContact CZ-CZ 3.69Å |
| 86 | S | 96.4 | Very high | 96 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -58.6 | 159.5 | -178.9 | 75.4 | 0 | 0 | 0 | 0 | 114.2 | D82 Y83 L84 S88 C89 M90 K91 | D82-S86 WeakPolarHBondContact O-CB 3.23Å; D82-S86 PolarHBondContact O-N 3.3Å; D82-S86 VanDerWaalsContact O-N 3.16Å; Y83-S86 WeakPolarHBondContact O-CB 3.28Å; Y83-S86 PolarHBondContact O-N 2.69Å; Y83-S86 PolarHBondContact O-OG 3.19Å; L84-S86 VanDerWaalsContact C-N 3.29Å; L84-S86 PolarHBondContact O-N 2.77Å; S86-S88 PolarHBondContact O-N 2.94Å; S86-S88 PolarHBondContact OG-OG 3.18Å; S86-C89 PolarHBondContact O-N 3.49Å; S86-C89 VanDerWaalsContact O-N 3.15Å; S86-M90 PolarHBondContact O-N 3.26Å; S86-K91 PolarHBondContact O-N 2.82Å |
| 87 | E | 94.1 | Very high | 96 | Very high | 128 Ų | 128 | 47.8 Ų | 47.8 | 60% | 0.598 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25.1 | 176.7 | -172.3 | 59 | -153.4 | 0 | 0 | 113 | K91 | E87-K91 VanDerWaalsContact O-CE 3.28Å; E87-K91 WeakPolarHBondContact O-CE 3.3Å; E87-K91 VanDerWaalsContact O-CG 3.23Å; E87-K91 WeakPolarHBondContact O-CG 3.37Å; E87-K91 VanDerWaalsContact OE1-CD 3.29Å; E87-K91 WeakPolarHBondContact OE1-CD 3.28Å; E87-K91 VanDerWaalsContact OE1-CE 3.25Å; E87-K91 WeakPolarHBondContact OE1-CE 3.39Å; E87-K91 IonicContact OE1-NZ 3.25Å; E87-K91 PolarHBondContact OE1-NZ 3.28Å |
| 88 | S | 93.9 | Very high | 96 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 70% | 0.699 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -16.3 | -179.6 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | S86 | S86-S88 PolarHBondContact O-N 2.94Å; S86-S88 PolarHBondContact OG-OG 3.18Å |
| 89 | C | 95.7 | Very high | 96.2 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -72.3 | -175.6 | -168.8 | 0 | 0 | 0 | 0 | 113 | Y83 S86 | Y83-C89 HydrophobicContact CE1-CB 4.25Å; Y83-C89 HydrophobicContact CE2-CB 4.17Å; Y83-C89 WeakPolarHBondContact O-CB 3.27Å; S86-C89 PolarHBondContact O-N 3.49Å; S86-C89 VanDerWaalsContact O-N 3.15Å |
| 90 | M | 96 | Very high | 96.2 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.064 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -8.6 | -175.3 | -58 | -64.5 | -72.9 | 0 | 0 | 114.9 | F9 H22 K29 F31 L84 S86 V92 | F9-M90 HydrophobicContact CE2-CB 3.97Å; F9-M90 HydrophobicContact CE2-CE 3.87Å; F9-M90 HydrophobicContact CE2-CG 4.37Å; F9-M90 HydrophobicContact CZ-CB 4.17Å; F9-M90 HydrophobicContact CZ-CE 4.27Å; F9-M90 HydrophobicContact CZ-CG 4.27Å; H22-M90 PolarHBondContact NE2-O 3.16Å; K29-M90 HydrophobicContact CD-CE 4.28Å; K29-M90 HydrophobicContact CD-SD 3.61Å; K29-M90 HydrophobicContact CG-CE 4.49Å; K29-M90 HydrophobicContact CG-SD 4.39Å; F31-M90 HydrophobicContact CE2-CG 4.4Å; F31-M90 HydrophobicContact CE2-SD 4.11Å; F31-M90 HydrophobicContact CZ-CG 4.29Å; F31-M90 HydrophobicContact CZ-SD 3.93Å; L84-M90 WeakPolarHBondContact O-CB 3.5Å; L84-M90 WeakPolarHBondContact O-CG 3.36Å; L84-M90 PolarHBondContact O-N 3.05Å; L84-M90 VanDerWaalsContact O-N 3.16Å; S86-M90 PolarHBondContact O-N 3.26Å; M90-V92 HydrophobicContact CB-CG2 3.92Å; M90-V92 PolarHBondContact O-N 3.31Å |
| 91 | K | 95.3 | Very high | 96.2 | Very high | 124 Ų | 124 | 39.4 Ų | 39.4 | 54% | 0.539 | 22% | 0.22 | S | C | . | . | trans | 54.8 | 54.2 | 175.4 | -52 | -179.1 | 175.1 | -131.7 | 0 | 112.4 | S86 E87 | S86-K91 PolarHBondContact O-N 2.82Å; E87-K91 VanDerWaalsContact O-CE 3.28Å; E87-K91 WeakPolarHBondContact O-CE 3.3Å; E87-K91 VanDerWaalsContact O-CG 3.23Å; E87-K91 WeakPolarHBondContact O-CG 3.37Å; E87-K91 VanDerWaalsContact OE1-CD 3.29Å; E87-K91 WeakPolarHBondContact OE1-CD 3.28Å; E87-K91 VanDerWaalsContact OE1-CE 3.25Å; E87-K91 WeakPolarHBondContact OE1-CE 3.39Å; E87-K91 IonicContact OE1-NZ 3.25Å; E87-K91 PolarHBondContact OE1-NZ 3.28Å | ||
| 92 | V | 95.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | trans | -88.5 | 113.1 | -176.4 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | F9 F85 M90 T94 C97 F123 | F9-V92 HydrophobicContact CB-CG1 4.43Å; F9-V92 HydrophobicContact CD1-CG2 4.37Å; F9-V92 HydrophobicContact CD2-CG2 3.6Å; F9-V92 HydrophobicContact CE1-CG2 4.25Å; F9-V92 HydrophobicContact CE2-CG2 3.44Å; F9-V92 VanDerWaalsContact CE2-CG2 3.44Å; F9-V92 HydrophobicContact CG-CG1 4.33Å; F9-V92 HydrophobicContact CG-CG2 4.06Å; F9-V92 HydrophobicContact CZ-CG2 3.77Å; F85-V92 HydrophobicContact CB-CB 4.13Å; F85-V92 HydrophobicContact CB-CG2 4.48Å; F85-V92 HydrophobicContact CD1-CB 4.07Å; F85-V92 HydrophobicContact CD1-CG1 4.37Å; F85-V92 HydrophobicContact CD1-CG2 3.85Å; F85-V92 HydrophobicContact CG-CB 4.38Å; F85-V92 PolarHBondContact O-N 3.29Å; M90-V92 HydrophobicContact CB-CG2 3.92Å; M90-V92 PolarHBondContact O-N 3.31Å; V92-T94 HydrophobicContact CG1-CG2 4.26Å; V92-T94 PolarHBondContact O-N 3.16Å; V92-C97 HydrophobicContact CG1-CB 4.44Å; V92-F123 HydrophobicContact CG1-CE1 3.93Å; V92-F123 HydrophobicContact CG1-CZ 4.32Å | ||
| 93 | N | 95.2 | Very high | 96 | Very high | 102 Ų | 102 | 36.6 Ų | 36.6 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | trans | -82.3 | 87.5 | 170.9 | -178.5 | 11.3 | 0 | 0 | 0 | 109.9 | A95 D96 C97 | N93-A95 VanDerWaalsContact C-N 3.29Å; N93-A95 PolarHBondContact O-N 3.28Å; N93-D96 CarbonylContact O-C 3.5Å; N93-D96 PolarHBondContact O-N 2.84Å; N93-C97 WeakPolarHBondContact O-CB 3.25Å; N93-C97 PolarHBondContact O-N 3.36Å | ||
| 94 | T | 95.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -57.2 | -39.1 | -172.4 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | V92 D96 C97 Y121 F123 H124 | V92-T94 HydrophobicContact CG1-CG2 4.26Å; V92-T94 PolarHBondContact O-N 3.16Å; T94-D96 PolarHBondContact O-N 3.45Å; T94-D96 VanDerWaalsContact O-N 3.15Å; T94-C97 PolarHBondContact O-N 3.06Å; T94-Y121 WeakPolarHBondContact CB-O 3.4Å; T94-Y121 PolarHBondContact OG1-O 3Å; T94-F123 HydrophobicContact CG2-CD1 4.17Å; T94-F123 HydrophobicContact CG2-CD2 4.4Å; T94-F123 HydrophobicContact CG2-CE1 3.71Å; T94-F123 HydrophobicContact CG2-CE2 3.93Å; T94-F123 HydrophobicContact CG2-CZ 3.57Å; T94-F123 CarbonylContact O-C 3.56Å; T94-F123 VanDerWaalsContact O-CA 3.29Å; T94-F123 WeakPolarHBondContact O-CA 3.32Å; T94-H124 PolarHBondContact O-N 2.84Å |
| 95 | A | 94.3 | Very high | 95.4 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 53% | 0.529 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -64.6 | -19.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N93 H124 | N93-A95 VanDerWaalsContact C-N 3.29Å; N93-A95 PolarHBondContact O-N 3.28Å; A95-H124 WeakPolarHBondContact O-CB 3.14Å |
| 96 | D | 94.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 40.7 Ų | 40.7 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -128.9 | 33.7 | 176.9 | -169.2 | 26.3 | 0 | 0 | 0 | 111.2 | C5 N93 T94 | C5-D96 PolarHBondContact SG-O 3.25Å; N93-D96 CarbonylContact O-C 3.5Å; N93-D96 PolarHBondContact O-N 2.84Å; T94-D96 PolarHBondContact O-N 3.45Å; T94-D96 VanDerWaalsContact O-N 3.15Å |
| 97 | C | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135 | -178.8 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | C5 T7 F9 V92 N93 T94 F123 H124 S125 | C5-C97 WeakPolarHBondContact SG-CA 3.38Å; T7-C97 WeakPolarHBondContact O-CA 3.19Å; T7-C97 PolarHBondContact O-SG 3.46Å; F9-C97 WeakPolarHBondContact CB-SG 3.38Å; V92-C97 HydrophobicContact CG1-CB 4.44Å; N93-C97 WeakPolarHBondContact O-CB 3.25Å; N93-C97 PolarHBondContact O-N 3.36Å; T94-C97 PolarHBondContact O-N 3.06Å; C97-F123 HydrophobicContact CB-CD1 4.35Å; C97-F123 HydrophobicContact CB-CE1 4.46Å; C97-H124 WeakPolarHBondContact O-CB 3.3Å; C97-H124 PolarHBondContact O-N 3.41Å; C97-S125 PolarHBondContact O-N 3.44Å |
| 98 | C | 97.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 112.8 | 166.5 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | C5 T7 A8 F9 S125 | C5-C98 PolarHBondContact SG-N 3.23Å; T7-C98 PolarHBondContact O-N 3.41Å; A8-C98 CarbonylContact C-O 3.58Å; A8-C98 WeakPolarHBondContact CA-O 3.45Å; A8-C98 HydrophobicContact CB-CB 4.18Å; F9-C98 PolarHBondContact N-O 2.95Å; C98-S125 CarbonylContact C-O 3.57Å; C98-S125 WeakPolarHBondContact CA-O 3.21Å; C98-S125 WeakPolarHBondContact CA-OG 3.45Å; C98-S125 VanDerWaalsContact CB-OG 3.32Å; C98-S125 WeakPolarHBondContact CB-OG 3.1Å; C98-S125 PolarHBondContact SG-OG 2.84Å |
| 99 | L | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.3 | 177.5 | 177.6 | 65.6 | 0 | 0 | 0 | 110.7 | F9 L11 I101 L117 F123 S125 V126 Y127 | F9-L99 HydrophobicContact CD1-CD1 3.92Å; F9-L99 WeakPolarHBondContact O-CA 3.3Å; L11-L99 HydrophobicContact CB-CD1 4.03Å; L11-L99 HydrophobicContact CD2-CD1 4.49Å; L99-I101 HydrophobicContact CD1-CB 4.24Å; L99-I101 HydrophobicContact CD2-CB 4.08Å; L99-I101 HydrophobicContact CD2-CD1 4.25Å; L99-I101 HydrophobicContact CD2-CG2 4.09Å; L99-I101 HydrophobicContact CG-CB 3.93Å; L99-I101 HydrophobicContact CG-CG2 4.19Å; L99-L117 HydrophobicContact CD2-CD1 4.24Å; L99-L117 HydrophobicContact CD2-CD2 3.68Å; L99-L117 HydrophobicContact CD2-CG 4.44Å; L99-F123 HydrophobicContact CB-CD1 3.63Å; L99-F123 HydrophobicContact CB-CD2 4.5Å; L99-F123 HydrophobicContact CB-CE1 3.85Å; L99-F123 HydrophobicContact CB-CG 3.97Å; L99-F123 HydrophobicContact CB-CZ 4.39Å; L99-F123 HydrophobicContact CD1-CE1 4.28Å; L99-F123 HydrophobicContact CD1-CZ 4.27Å; L99-F123 HydrophobicContact CD2-CD1 4.33Å; L99-F123 HydrophobicContact CD2-CD2 3.81Å; L99-F123 HydrophobicContact CD2-CE1 4.2Å; L99-F123 HydrophobicContact CD2-CE2 3.69Å; L99-F123 HydrophobicContact CD2-CG 4.13Å; L99-F123 HydrophobicContact CD2-CZ 3.89Å; L99-F123 HydrophobicContact CG-CD1 4.48Å; L99-F123 HydrophobicContact CG-CE1 4.33Å; L99-F123 HydrophobicContact CG-CZ 4.42Å; L99-S125 PolarHBondContact N-O 3.32Å; L99-V126 HydrophobicContact CB-CG2 4.35Å; L99-V126 HydrophobicContact CD2-CG1 4.49Å; L99-V126 CarbonylContact O-C 3.51Å; L99-V126 VanDerWaalsContact O-CA 3.31Å; L99-V126 WeakPolarHBondContact O-CA 3.4Å; L99-Y127 PolarHBondContact O-N 3.35Å |
| 100 | I | 97.8 | Very high | 93 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 109.2 | 164.8 | -62.7 | 173.4 | 0 | 0 | 0 | 107.2 | F9 I10 L11 Y127 L134 G364 A368 L373 | F9-I100 PolarHBondContact O-N 2.91Å; I10-I100 CarbonylContact C-O 3.56Å; I10-I100 WeakPolarHBondContact CA-O 3.36Å; I10-I100 HydrophobicContact CG1-CB 4.34Å; I10-I100 HydrophobicContact CG1-CD1 4.37Å; I10-I100 HydrophobicContact CG2-CG2 4.42Å; L11-I100 PolarHBondContact N-O 3.32Å; I100-Y127 HydrophobicContact CG2-CD1 4.07Å; I100-L134 HydrophobicContact CG2-CD1 4.11Å; I100-L134 HydrophobicContact CG2-CD2 4.23Å; I100-G364 VanDerWaalsContact CD1-O 3.25Å; I100-G364 WeakPolarHBondContact CD1-O 3.18Å; I100-A368 HydrophobicContact CD1-CB 3.8Å; I100-L373 HydrophobicContact CD1-CD1 3.85Å; I100-L373 HydrophobicContact CD1-CD2 4.31Å; I100-L373 HydrophobicContact CG1-CD1 4.05Å |
| 101 | I | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.4 | -174.1 | -171.2 | 170.7 | 0 | 0 | 0 | 111.8 | L11 N13 W81 L99 F113 L117 V126 Y127 C128 A129 | L11-I101 HydrophobicContact CB-CB 4.48Å; L11-I101 HydrophobicContact CB-CG1 4.23Å; L11-I101 HydrophobicContact CD2-CD1 3.74Å; L11-I101 HydrophobicContact CD2-CG1 4.12Å; L11-I101 HydrophobicContact CG-CD1 4.37Å; L11-I101 HydrophobicContact CG-CG1 4.22Å; L11-I101 VanDerWaalsContact O-CA 3.3Å; L11-I101 WeakPolarHBondContact O-CA 3.48Å; N13-I101 HydrophobicContact CB-CG1 4.33Å; W81-I101 HydrophobicContact CH2-CD1 4.11Å; W81-I101 HydrophobicContact CZ2-CD1 3.68Å; L99-I101 HydrophobicContact CD1-CB 4.24Å; L99-I101 HydrophobicContact CD2-CB 4.08Å; L99-I101 HydrophobicContact CD2-CD1 4.25Å; L99-I101 HydrophobicContact CD2-CG2 4.09Å; L99-I101 HydrophobicContact CG-CB 3.93Å; L99-I101 HydrophobicContact CG-CG2 4.19Å; I101-F113 HydrophobicContact CD1-CE1 4.24Å; I101-F113 HydrophobicContact CD1-CE2 4.41Å; I101-F113 HydrophobicContact CD1-CZ 3.58Å; I101-F113 HydrophobicContact CG1-CZ 4.05Å; I101-F113 HydrophobicContact CG2-CE1 4.09Å; I101-F113 HydrophobicContact CG2-CZ 4.41Å; I101-L117 HydrophobicContact CD1-CD1 4.36Å; I101-L117 HydrophobicContact CD1-CD2 4.18Å; I101-L117 HydrophobicContact CG2-CD1 3.88Å; I101-V126 HydrophobicContact CG2-CG1 4.06Å; I101-Y127 PolarHBondContact N-O 2.93Å; I101-C128 WeakPolarHBondContact O-CA 3.2Å; I101-A129 PolarHBondContact O-N 3.24Å |
| 102 | T | 96.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 140.8 | 174 | 64.7 | 0 | 0 | 0 | 0 | 113 | L11 D12 N13 A129 A131 L134 | L11-T102 PolarHBondContact O-N 2.91Å; D12-T102 WeakPolarHBondContact CA-OG1 3.38Å; D12-T102 HydrophobicContact CB-CG2 4.04Å; D12-T102 PolarHBondContact OD1-OG1 3.16Å; N13-T102 PolarHBondContact N-OG1 2.85Å; T102-A129 CarbonylContact C-O 3.57Å; T102-A129 WeakPolarHBondContact CA-O 3.2Å; T102-A131 HydrophobicContact CG2-CB 4.06Å; T102-L134 HydrophobicContact CG2-CD1 3.63Å |
| 103 | E | 93.7 | Very high | 92.6 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | -125.9 | 160.7 | 169.9 | 67.4 | 172.4 | 154.9 | 0 | 0 | 112.5 | N107 R110 F113 A129 P130 | E103-N107 PolarHBondContact OE2-ND2 3.24Å; E103-N107 VanDerWaalsContact OE2-ND2 3.13Å; E103-R110 IonicContact OE1-CZ 2.95Å; E103-R110 VanDerWaalsContact OE1-CZ 3.25Å; E103-R110 IonicContact OE1-NE 2.65Å; E103-R110 PolarHBondContact OE1-NE 3.21Å; E103-R110 IonicContact OE1-NH2 3.72Å; E103-R110 PolarHBondContact OE1-NH2 2.89Å; E103-R110 WeakPolarHBondContact OE2-CG 3.43Å; E103-R110 IonicContact OE2-NE 2.63Å; E103-R110 PolarHBondContact OE2-NE 2.74Å; E103-F113 HydrophobicContact CB-CE1 4.13Å; E103-F113 HydrophobicContact CB-CZ 4.29Å; E103-A129 PolarHBondContact N-O 2.92Å; E103-P130 WeakPolarHBondContact O-CA 3.43Å | ||
| 104 | P | 92.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | trans | -61.3 | 147.5 | 172.9 | -24.7 | 36.2 | 0 | 0 | 0 | 112.9 | F66 G69 M70 F106 N107 | F66-P104 HydrophobicContact CE1-CG 3.85Å; G69-P104 WeakPolarHBondContact O-CB 3.15Å; G69-P104 VanDerWaalsContact O-CG 3.23Å; G69-P104 WeakPolarHBondContact O-CG 3.35Å; M70-P104 HydrophobicContact SD-CB 4.03Å; P104-F106 PolarHBondContact O-N 3.24Å; P104-N107 HydrophobicContact CB-CB 4.44Å; P104-N107 WeakPolarHBondContact O-CB 3.36Å; P104-N107 PolarHBondContact O-N 2.68Å | ||
| 105 | H | 90.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 137.4 | 163.4 | -70.1 | -76.7 | 0 | 0 | 0 | 110.5 | N107 P130 T132 Y160 | H105-N107 PolarHBondContact O-N 3.47Å; H105-P130 WeakPolarHBondContact CE1-CB 3.42Å; H105-P130 VanDerWaalsContact CE1-CG 3.46Å; H105-P130 WeakPolarHBondContact CE1-CG 3.25Å; H105-T132 PolarHBondContact CE1-OG1 2.79Å; H105-T132 PolarHBondContact NE2-OG1 2.8Å; H105-Y160 HydrophobicContact CB-CD1 4.44Å; H105-Y160 HydrophobicContact CB-CE1 3.77Å; H105-Y160 AromaticContact CD2-CD1 3.71Å; H105-Y160 AromaticContact CD2-CD2 3.9Å; H105-Y160 AromaticContact CD2-CE1 3.85Å; H105-Y160 AromaticContact CD2-CG 3.73Å |
| 106 | F | 86.4 | Confident | 92.5 | Very high | 111 Ų | 111 | 36 Ų | 36 | 49% | 0.487 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 40.6 | 178.7 | -45.7 | -67.6 | 0 | 0 | 0 | 113.3 | P104 I108 V174 | P104-F106 PolarHBondContact O-N 3.24Å; F106-I108 PolarHBondContact O-N 3.21Å; F106-V174 HydrophobicContact CE2-CB 4.15Å; F106-V174 HydrophobicContact CE2-CG1 3.68Å; F106-V174 HydrophobicContact CZ-CB 4.08Å; F106-V174 HydrophobicContact CZ-CG1 4.07Å; F106-V174 HydrophobicContact CZ-CG2 4.38Å |
| 107 | N | 83.6 | Confident | 92.6 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.064 | 17% | 0.166 | C | C | . | . | trans | -53.8 | 126.5 | 176.5 | 178.6 | 15 | 0 | 0 | 0 | 110.5 | E103 P104 H105 S109 R110 | E103-N107 PolarHBondContact OE2-ND2 3.24Å; E103-N107 VanDerWaalsContact OE2-ND2 3.13Å; P104-N107 HydrophobicContact CB-CB 4.44Å; P104-N107 WeakPolarHBondContact O-CB 3.36Å; P104-N107 PolarHBondContact O-N 2.68Å; H105-N107 PolarHBondContact O-N 3.47Å; N107-S109 PolarHBondContact OD1-N 2.89Å; N107-R110 HydrophobicContact CB-CG 3.44Å; N107-R110 VanDerWaalsContact CB-CG 3.44Å; N107-R110 WeakPolarHBondContact O-CD 3.38Å; N107-R110 VanDerWaalsContact O-CG 3.23Å; N107-R110 WeakPolarHBondContact O-CG 3.49Å | ||
| 108 | I | 83.6 | Confident | 92.7 | Very high | 150 Ų | 150 | 32.8 Ų | 32.8 | 77% | 0.769 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -26.1 | -174.4 | -60.6 | 169.6 | 0 | 0 | 0 | 110.8 | M70 F106 | M70-I108 HydrophobicContact CE-CB 4.39Å; M70-I108 HydrophobicContact CE-CD1 4.25Å; M70-I108 HydrophobicContact CE-CG1 3.96Å; F106-I108 PolarHBondContact O-N 3.21Å |
| 109 | S | 86 | Confident | 92.7 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 44.8 | -176 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | Y74 N107 F113 | Y74-S109 PolarHBondContact OH-O 3.15Å; N107-S109 PolarHBondContact OD1-N 2.89Å; S109-F113 PolarHBondContact O-N 3.12Å; S109-F113 VanDerWaalsContact O-N 3.12Å |
| 110 | R | 88.5 | Confident | 92.6 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 13% | 0.125 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | -176.8 | -71.2 | 179.8 | 82.7 | -156.8 | 2 | 113.6 | E103 N107 F113 W114 F395 T397 | E103-R110 IonicContact OE1-CZ 2.95Å; E103-R110 VanDerWaalsContact OE1-CZ 3.25Å; E103-R110 IonicContact OE1-NE 2.65Å; E103-R110 PolarHBondContact OE1-NE 3.21Å; E103-R110 IonicContact OE1-NH2 3.72Å; E103-R110 PolarHBondContact OE1-NH2 2.89Å; E103-R110 WeakPolarHBondContact OE2-CG 3.43Å; E103-R110 IonicContact OE2-NE 2.63Å; E103-R110 PolarHBondContact OE2-NE 2.74Å; N107-R110 HydrophobicContact CB-CG 3.44Å; N107-R110 VanDerWaalsContact CB-CG 3.44Å; N107-R110 WeakPolarHBondContact O-CD 3.38Å; N107-R110 VanDerWaalsContact O-CG 3.23Å; N107-R110 WeakPolarHBondContact O-CG 3.49Å; R110-F113 WeakPolarHBondContact O-CA 3.44Å; R110-F113 VanDerWaalsContact O-CB 3.28Å; R110-F113 WeakPolarHBondContact O-CB 3.09Å; R110-F113 PolarHBondContact O-N 3.32Å; R110-F113 VanDerWaalsContact O-N 3.11Å; R110-W114 HydrophobicContact CB-CD2 4.45Å; R110-W114 HydrophobicContact CB-CH2 4.09Å; R110-W114 HydrophobicContact CB-CZ2 3.82Å; R110-W114 HydrophobicContact CB-CZ3 4.48Å; R110-W114 HydrophobicContact CG-CZ2 4.49Å; R110-W114 VanDerWaalsContact CZ-CZ2 3.49Å; R110-W114 VanDerWaalsContact O-CD2 3.23Å; R110-W114 PolarHBondContact O-N 3.04Å; R110-F395 PolarHBondContact NH2-O 2.72Å; R110-T397 VanDerWaalsContact NH1-CG2 3.3Å; R110-T397 PolarHBondContact NH1-OG1 3.35Å; R110-T397 VanDerWaalsContact NH2-CG2 3.3Å |
| 111 | E | 92 | Very high | 92.5 | Very high | 104 Ų | 104 | 42.5 Ų | 42.5 | 49% | 0.486 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.6 | -47.6 | -179.7 | -66.4 | 173.3 | -138.1 | 0 | 0 | 110.8 | F113 W114 E115 A388 R392 | E111-F113 VanDerWaalsContact C-N 3.26Å; E111-F113 PolarHBondContact O-N 3.04Å; E111-W114 HydrophobicContact CG-CE3 4.39Å; E111-W114 HydrophobicContact CG-CZ3 4.3Å; E111-W114 PolarHBondContact O-N 3.28Å; E111-W114 VanDerWaalsContact O-N 3.14Å; E111-E115 WeakPolarHBondContact O-CB 2.91Å; E111-E115 PolarHBondContact O-N 3.41Å; E111-A388 HydrophobicContact CB-CB 4.49Å; E111-A388 HydrophobicContact CG-CB 3.94Å; E111-R392 IonicContact OE1-CZ 2.75Å; E111-R392 IonicContact OE1-NH2 3.25Å; E111-R392 PolarHBondContact OE1-NH2 3.15Å; E111-R392 IonicContact OE2-NH2 2.76Å; E111-R392 PolarHBondContact OE2-NH2 3.18Å |
| 112 | L | 92.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.2 | -38.5 | 172.6 | 179.5 | 62.7 | 0 | 0 | 0 | 111.9 | Y74 V116 | Y74-L112 HydrophobicContact CD1-CD2 4.3Å; Y74-L112 HydrophobicContact CD1-CG 4.36Å; Y74-L112 HydrophobicContact CD2-CD2 3.75Å; Y74-L112 HydrophobicContact CE1-CD2 4.3Å; Y74-L112 HydrophobicContact CE1-CG 4.17Å; Y74-L112 HydrophobicContact CE2-CD2 3.75Å; Y74-L112 HydrophobicContact CE2-CG 4.41Å; Y74-L112 HydrophobicContact CG-CD2 4.03Å; L112-V116 HydrophobicContact CD1-CG2 4.32Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.44Å; L112-V116 PolarHBondContact O-N 2.62Å; L112-V116 VanDerWaalsContact O-N 3.09Å |
| 113 | F | 93.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 176.1 | -170.3 | -102.7 | 0 | 0 | 0 | 111.5 | L71 Y74 W81 I101 E103 S109 R110 E111 L117 | L71-F113 HydrophobicContact CD2-CD2 3.87Å; L71-F113 HydrophobicContact CD2-CE2 3.98Å; Y74-F113 HydrophobicContact CE1-CD2 4.22Å; W81-F113 HydrophobicContact CH2-CD2 4.06Å; W81-F113 AromaticContact CH2-CE2 3.48Å; W81-F113 HydrophobicContact CH2-CE2 3.48Å; W81-F113 VanDerWaalsContact CH2-CE2 3.48Å; W81-F113 HydrophobicContact CH2-CZ 4.08Å; W81-F113 AromaticContact CZ2-CE2 3.93Å; W81-F113 HydrophobicContact CZ2-CE2 3.93Å; W81-F113 HydrophobicContact CZ2-CZ 4.35Å; I101-F113 HydrophobicContact CD1-CE1 4.24Å; I101-F113 HydrophobicContact CD1-CE2 4.41Å; I101-F113 HydrophobicContact CD1-CZ 3.58Å; I101-F113 HydrophobicContact CG1-CZ 4.05Å; I101-F113 HydrophobicContact CG2-CE1 4.09Å; I101-F113 HydrophobicContact CG2-CZ 4.41Å; E103-F113 HydrophobicContact CB-CE1 4.13Å; E103-F113 HydrophobicContact CB-CZ 4.29Å; S109-F113 PolarHBondContact O-N 3.12Å; S109-F113 VanDerWaalsContact O-N 3.12Å; R110-F113 WeakPolarHBondContact O-CA 3.44Å; R110-F113 VanDerWaalsContact O-CB 3.28Å; R110-F113 WeakPolarHBondContact O-CB 3.09Å; R110-F113 PolarHBondContact O-N 3.32Å; R110-F113 VanDerWaalsContact O-N 3.11Å; E111-F113 VanDerWaalsContact C-N 3.26Å; E111-F113 PolarHBondContact O-N 3.04Å; F113-L117 HydrophobicContact CD1-CD1 3.95Å; F113-L117 HydrophobicContact CE1-CD1 3.7Å; F113-L117 HydrophobicContact CZ-CD1 4.34Å; F113-L117 VanDerWaalsContact O-CG 3.31Å; F113-L117 WeakPolarHBondContact O-CG 3.28Å; F113-L117 PolarHBondContact O-N 2.91Å |
| 114 | W | 94.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.2 | -41 | 179.3 | -54.4 | -31 | 0 | 0 | 0 | 112.9 | R110 E111 V116 L117 F118 Y383 A388 C391 R392 F395 | R110-W114 HydrophobicContact CB-CD2 4.45Å; R110-W114 HydrophobicContact CB-CH2 4.09Å; R110-W114 HydrophobicContact CB-CZ2 3.82Å; R110-W114 HydrophobicContact CB-CZ3 4.48Å; R110-W114 HydrophobicContact CG-CZ2 4.49Å; R110-W114 VanDerWaalsContact CZ-CZ2 3.49Å; R110-W114 VanDerWaalsContact O-CD2 3.23Å; R110-W114 PolarHBondContact O-N 3.04Å; E111-W114 HydrophobicContact CG-CE3 4.39Å; E111-W114 HydrophobicContact CG-CZ3 4.3Å; E111-W114 PolarHBondContact O-N 3.28Å; E111-W114 VanDerWaalsContact O-N 3.14Å; W114-V116 VanDerWaalsContact C-N 3.3Å; W114-V116 PolarHBondContact O-N 3.27Å; W114-L117 PolarHBondContact O-N 3.19Å; W114-F118 HydrophobicContact CB-CD2 4.42Å; W114-F118 WeakPolarHBondContact O-CD2 3.45Å; W114-F118 PolarHBondContact O-N 3.18Å; W114-Y383 HydrophobicContact CB-CE2 4.4Å; W114-A388 HydrophobicContact CE3-CB 3.94Å; W114-A388 HydrophobicContact CZ3-CB 4.09Å; W114-C391 HydrophobicContact CD2-CB 3.51Å; W114-C391 HydrophobicContact CE3-CB 3.31Å; W114-C391 HydrophobicContact CG-CB 4.21Å; W114-C391 HydrophobicContact CH2-CB 3.73Å; W114-C391 HydrophobicContact CZ2-CB 3.91Å; W114-C391 HydrophobicContact CZ3-CB 3.43Å; W114-C391 VanDerWaalsContact CZ3-CB 3.43Å; W114-R392 HydrophobicContact CH2-CG 3.89Å; W114-R392 HydrophobicContact CZ3-CG 3.93Å; W114-F395 AromaticContact CE2-CD2 3.73Å; W114-F395 HydrophobicContact CZ2-CB 4.49Å; W114-F395 AromaticContact CZ2-CD2 3.85Å; W114-F395 HydrophobicContact CZ2-CD2 3.85Å; W114-F395 AromaticContact NE1-CD2 3.63Å; W114-F395 AromaticContact NE1-CE2 3.93Å |
| 115 | E | 94.7 | Very high | 93 | Very high | 87 Ų | 87 | 45.2 Ų | 45.2 | 41% | 0.407 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -53.2 | -48.9 | 174.5 | -176.2 | -176.1 | 144.8 | 0 | 0 | 110.3 | E111 L117 F118 E119 Y383 | E111-E115 WeakPolarHBondContact O-CB 2.91Å; E111-E115 PolarHBondContact O-N 3.41Å; E115-L117 VanDerWaalsContact C-N 3.33Å; E115-L117 PolarHBondContact O-N 3.29Å; E115-F118 PolarHBondContact O-N 2.89Å; E115-E119 HydrophobicContact CG-CB 4.48Å; E115-E119 HydrophobicContact CG-CG 4.28Å; E115-E119 WeakPolarHBondContact O-CA 3.31Å; E115-E119 VanDerWaalsContact O-CB 3.24Å; E115-E119 WeakPolarHBondContact O-CB 3.25Å; E115-E119 PolarHBondContact O-N 3.13Å; E115-Y383 WeakPolarHBondContact CA-OH 3.43Å |
| 116 | V | 94.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -60.4 | -40.8 | 177 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | W81 L112 W114 D120 Y121 | W81-V116 HydrophobicContact CE3-CG1 4.34Å; W81-V116 HydrophobicContact CZ3-CG1 3.89Å; L112-V116 HydrophobicContact CD1-CG2 4.32Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.44Å; L112-V116 PolarHBondContact O-N 2.62Å; L112-V116 VanDerWaalsContact O-N 3.09Å; W114-V116 VanDerWaalsContact C-N 3.3Å; W114-V116 PolarHBondContact O-N 3.27Å; V116-D120 HydrophobicContact CG1-CB 4.45Å; V116-D120 VanDerWaalsContact O-CB 3.31Å; V116-D120 WeakPolarHBondContact O-CB 3.31Å; V116-D120 PolarHBondContact O-N 3.13Å; V116-Y121 HydrophobicContact CG1-CD2 3.81Å; V116-Y121 HydrophobicContact CG1-CE2 3.58Å; V116-Y121 VanDerWaalsContact O-CD2 3.27Å; V116-Y121 WeakPolarHBondContact O-CD2 3.47Å; V116-Y121 PolarHBondContact O-N 3.46Å |
| 117 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -71.4 | -39.3 | -178.4 | -63.5 | 175.6 | 0 | 0 | 0 | 112.9 | W81 L99 I101 F113 W114 E115 A122 F123 V126 | W81-L117 HydrophobicContact CH2-CD2 4.19Å; W81-L117 HydrophobicContact CZ3-CD2 4.08Å; L99-L117 HydrophobicContact CD2-CD1 4.24Å; L99-L117 HydrophobicContact CD2-CD2 3.68Å; L99-L117 HydrophobicContact CD2-CG 4.44Å; I101-L117 HydrophobicContact CD1-CD1 4.36Å; I101-L117 HydrophobicContact CD1-CD2 4.18Å; I101-L117 HydrophobicContact CG2-CD1 3.88Å; F113-L117 HydrophobicContact CD1-CD1 3.95Å; F113-L117 HydrophobicContact CE1-CD1 3.7Å; F113-L117 HydrophobicContact CZ-CD1 4.34Å; F113-L117 VanDerWaalsContact O-CG 3.31Å; F113-L117 WeakPolarHBondContact O-CG 3.28Å; F113-L117 PolarHBondContact O-N 2.91Å; W114-L117 PolarHBondContact O-N 3.19Å; E115-L117 VanDerWaalsContact C-N 3.33Å; E115-L117 PolarHBondContact O-N 3.29Å; L117-A122 PolarHBondContact O-N 2.83Å; L117-F123 HydrophobicContact CD2-CE2 4.47Å; L117-F123 WeakPolarHBondContact O-CD2 3.16Å; L117-F123 PolarHBondContact O-N 2.98Å; L117-V126 HydrophobicContact CB-CG2 4.24Å; L117-V126 HydrophobicContact CD1-CG1 3.89Å |
| 118 | F | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -91.7 | -36.5 | -176 | -75.1 | -67.6 | 0 | 0 | 0 | 114.2 | W114 E115 A122 V126 V378 K380 Y383 | W114-F118 HydrophobicContact CB-CD2 4.42Å; W114-F118 WeakPolarHBondContact O-CD2 3.45Å; W114-F118 PolarHBondContact O-N 3.18Å; E115-F118 PolarHBondContact O-N 2.89Å; F118-A122 VanDerWaalsContact O-CA 3.28Å; F118-A122 WeakPolarHBondContact O-CA 3.41Å; F118-V126 HydrophobicContact CD1-CG2 4.24Å; F118-V126 HydrophobicContact CE1-CB 4.13Å; F118-V126 HydrophobicContact CE1-CG2 3.67Å; F118-V126 HydrophobicContact CE2-CB 4.08Å; F118-V126 HydrophobicContact CE2-CG2 4.08Å; F118-V126 HydrophobicContact CZ-CB 3.58Å; F118-V126 HydrophobicContact CZ-CG2 3.59Å; F118-V378 HydrophobicContact CE1-CG1 4.48Å; F118-V378 HydrophobicContact CE2-CG1 4.25Å; F118-V378 HydrophobicContact CZ-CB 3.95Å; F118-V378 HydrophobicContact CZ-CG1 3.74Å; F118-V378 WeakPolarHBondContact CZ-O 3.19Å; F118-K380 HydrophobicContact CD1-CB 4.06Å; F118-K380 HydrophobicContact CD1-CG 4.23Å; F118-K380 HydrophobicContact CE1-CB 4.45Å; F118-K380 WeakPolarHBondContact O-CE 3.25Å; F118-Y383 HydrophobicContact CB-CD1 3.49Å; F118-Y383 VanDerWaalsContact CB-CD1 3.49Å; F118-Y383 HydrophobicContact CB-CD2 4.36Å; F118-Y383 HydrophobicContact CB-CE1 3.73Å; F118-Y383 HydrophobicContact CB-CG 3.84Å; F118-Y383 HydrophobicContact CD1-CG 4.29Å; F118-Y383 HydrophobicContact CD2-CD1 4.17Å; F118-Y383 AromaticContact CD2-CD2 3.51Å; F118-Y383 HydrophobicContact CD2-CD2 3.51Å; F118-Y383 AromaticContact CD2-CE2 3.97Å; F118-Y383 HydrophobicContact CD2-CE2 3.97Å; F118-Y383 AromaticContact CD2-CG 3.62Å; F118-Y383 HydrophobicContact CD2-CG 3.62Å; F118-Y383 AromaticContact CE2-CD2 3.97Å; F118-Y383 HydrophobicContact CE2-CD2 3.97Å; F118-Y383 HydrophobicContact CE2-CG 4.21Å; F118-Y383 AromaticContact CG-CD1 3.87Å; F118-Y383 HydrophobicContact CG-CD1 3.87Å; F118-Y383 HydrophobicContact CG-CD2 4.05Å; F118-Y383 HydrophobicContact CG-CE1 4.43Å; F118-Y383 AromaticContact CG-CG 3.66Å; F118-Y383 HydrophobicContact CG-CG 3.66Å |
| 119 | E | 96.6 | Very high | 94.9 | Very high | 109 Ų | 109 | 33.7 Ų | 33.7 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -93.5 | -50 | -175.2 | -57.2 | -174.7 | -152.9 | 0 | 0 | 111.3 | E115 Y383 | E115-E119 HydrophobicContact CG-CB 4.48Å; E115-E119 HydrophobicContact CG-CG 4.28Å; E115-E119 WeakPolarHBondContact O-CA 3.31Å; E115-E119 VanDerWaalsContact O-CB 3.24Å; E115-E119 WeakPolarHBondContact O-CB 3.25Å; E115-E119 PolarHBondContact O-N 3.13Å; E119-Y383 HydrophobicContact CG-CE1 3.79Å; E119-Y383 WeakPolarHBondContact OE1-CE1 3.44Å; E119-Y383 PolarHBondContact OE1-OH 3.34Å |
| 120 | D | 95.5 | Very high | 95.3 | Very high | 81 Ų | 81 | 31.3 Ų | 31.3 | 43% | 0.433 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -76.3 | -49.8 | -178.9 | -82.6 | -1.7 | 0 | 0 | 0 | 112 | R78 V116 | R78-D120 IonicContact CZ-OD2 2.75Å; R78-D120 VanDerWaalsContact CZ-OD2 3.24Å; R78-D120 IonicContact NH1-OD2 2.79Å; R78-D120 PolarHBondContact NH1-OD2 3.42Å; R78-D120 IonicContact NH2-OD2 3.59Å; R78-D120 PolarHBondContact NH2-OD2 3.38Å; V116-D120 HydrophobicContact CG1-CB 4.45Å; V116-D120 VanDerWaalsContact O-CB 3.31Å; V116-D120 WeakPolarHBondContact O-CB 3.31Å; V116-D120 PolarHBondContact O-N 3.13Å |
| 121 | Y | 97 | Very high | 95.7 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 9% | 0.09 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -90.7 | -16.1 | -178.4 | -70.2 | -69.4 | 0 | 0 | 0 | 114.3 | R78 W81 D82 F85 T94 V116 F123 | R78-Y121 PolarHBondContact O-OH 3.07Å; W81-Y121 HydrophobicContact CB-CE2 4.37Å; W81-Y121 WeakPolarHBondContact CB-OH 3.44Å; W81-Y121 HydrophobicContact CE3-CD2 4.48Å; W81-Y121 AromaticContact CE3-CE2 3.66Å; W81-Y121 HydrophobicContact CE3-CE2 3.66Å; W81-Y121 HydrophobicContact CZ3-CE2 4.32Å; D82-Y121 VanDerWaalsContact OD1-CE1 3.26Å; D82-Y121 WeakPolarHBondContact OD1-CE1 3.21Å; D82-Y121 VanDerWaalsContact OD1-CZ 3.31Å; D82-Y121 PolarHBondContact OD1-OH 2.97Å; F85-Y121 AromaticContact CD2-CD1 3.75Å; F85-Y121 HydrophobicContact CD2-CD1 3.75Å; F85-Y121 AromaticContact CD2-CE1 3.72Å; F85-Y121 HydrophobicContact CD2-CE1 3.72Å; F85-Y121 HydrophobicContact CD2-CG 4.39Å; F85-Y121 HydrophobicContact CE2-CD1 4.04Å; F85-Y121 HydrophobicContact CE2-CD2 4.44Å; F85-Y121 HydrophobicContact CE2-CE1 4.07Å; F85-Y121 HydrophobicContact CE2-CE2 4.48Å; F85-Y121 HydrophobicContact CE2-CG 4.24Å; T94-Y121 WeakPolarHBondContact CB-O 3.4Å; T94-Y121 PolarHBondContact OG1-O 3Å; V116-Y121 HydrophobicContact CG1-CD2 3.81Å; V116-Y121 HydrophobicContact CG1-CE2 3.58Å; V116-Y121 VanDerWaalsContact O-CD2 3.27Å; V116-Y121 WeakPolarHBondContact O-CD2 3.47Å; V116-Y121 PolarHBondContact O-N 3.46Å; Y121-F123 VanDerWaalsContact C-N 3.31Å; Y121-F123 HydrophobicContact CG-CE2 4.1Å; Y121-F123 PolarHBondContact O-N 2.91Å |
| 122 | A | 96.7 | Very high | 96 | Very high | 36 Ų | 36 | 25.7 Ų | 25.7 | 30% | 0.298 | 13% | 0.134 | S | C | . | . | trans | 53.4 | 42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L117 F118 H124 K380 | L117-A122 PolarHBondContact O-N 2.83Å; F118-A122 VanDerWaalsContact O-CA 3.28Å; F118-A122 WeakPolarHBondContact O-CA 3.41Å; A122-H124 PolarHBondContact O-N 2.83Å; A122-K380 HydrophobicContact CB-CD 4.49Å | ||
| 123 | F | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -60.5 | 135.6 | 174.7 | -82.7 | -80.2 | 0 | 0 | 0 | 111.8 | F85 V92 T94 C97 L99 L117 Y121 S125 V126 K380 | F85-F123 HydrophobicContact CD1-CZ 4.49Å; F85-F123 HydrophobicContact CD2-CE2 4.4Å; F85-F123 HydrophobicContact CD2-CZ 4.2Å; F85-F123 HydrophobicContact CE1-CZ 4.08Å; F85-F123 AromaticContact CE2-CE2 3.78Å; F85-F123 HydrophobicContact CE2-CE2 3.78Å; F85-F123 AromaticContact CE2-CZ 3.75Å; F85-F123 HydrophobicContact CE2-CZ 3.75Å; F85-F123 HydrophobicContact CZ-CE2 4.02Å; F85-F123 AromaticContact CZ-CZ 3.69Å; F85-F123 HydrophobicContact CZ-CZ 3.69Å; V92-F123 HydrophobicContact CG1-CE1 3.93Å; V92-F123 HydrophobicContact CG1-CZ 4.32Å; T94-F123 HydrophobicContact CG2-CD1 4.17Å; T94-F123 HydrophobicContact CG2-CD2 4.4Å; T94-F123 HydrophobicContact CG2-CE1 3.71Å; T94-F123 HydrophobicContact CG2-CE2 3.93Å; T94-F123 HydrophobicContact CG2-CZ 3.57Å; T94-F123 CarbonylContact O-C 3.56Å; T94-F123 VanDerWaalsContact O-CA 3.29Å; T94-F123 WeakPolarHBondContact O-CA 3.32Å; C97-F123 HydrophobicContact CB-CD1 4.35Å; C97-F123 HydrophobicContact CB-CE1 4.46Å; L99-F123 HydrophobicContact CB-CD1 3.63Å; L99-F123 HydrophobicContact CB-CD2 4.5Å; L99-F123 HydrophobicContact CB-CE1 3.85Å; L99-F123 HydrophobicContact CB-CG 3.97Å; L99-F123 HydrophobicContact CB-CZ 4.39Å; L99-F123 HydrophobicContact CD1-CE1 4.28Å; L99-F123 HydrophobicContact CD1-CZ 4.27Å; L99-F123 HydrophobicContact CD2-CD1 4.33Å; L99-F123 HydrophobicContact CD2-CD2 3.81Å; L99-F123 HydrophobicContact CD2-CE1 4.2Å; L99-F123 HydrophobicContact CD2-CE2 3.69Å; L99-F123 HydrophobicContact CD2-CG 4.13Å; L99-F123 HydrophobicContact CD2-CZ 3.89Å; L99-F123 HydrophobicContact CG-CD1 4.48Å; L99-F123 HydrophobicContact CG-CE1 4.33Å; L99-F123 HydrophobicContact CG-CZ 4.42Å; L117-F123 HydrophobicContact CD2-CE2 4.47Å; L117-F123 WeakPolarHBondContact O-CD2 3.16Å; L117-F123 PolarHBondContact O-N 2.98Å; Y121-F123 VanDerWaalsContact C-N 3.31Å; Y121-F123 HydrophobicContact CG-CE2 4.1Å; Y121-F123 PolarHBondContact O-N 2.91Å; F123-S125 VanDerWaalsContact C-N 3.29Å; F123-S125 PolarHBondContact O-N 3.31Å; F123-V126 HydrophobicContact CB-CG2 3.78Å; F123-K380 WeakPolarHBondContact O-CB 3.37Å | ||
| 124 | H | 96.9 | Very high | 96.3 | Very high | 47 Ų | 47 | 23 Ų | 23 | 22% | 0.218 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -55.7 | -45.8 | 178.5 | 179.5 | 84.1 | 0 | 0 | 0 | 112.1 | T94 A95 C97 A122 T379 K380 | T94-H124 PolarHBondContact O-N 2.84Å; A95-H124 WeakPolarHBondContact O-CB 3.14Å; C97-H124 WeakPolarHBondContact O-CB 3.3Å; C97-H124 PolarHBondContact O-N 3.41Å; A122-H124 PolarHBondContact O-N 2.83Å; H124-T379 CarbonylContact O-C 3.33Å; H124-T379 WeakPolarHBondContact O-CA 3.47Å; H124-K380 PolarHBondContact O-N 3.3Å |
| 125 | S | 97.5 | Very high | 96.5 | Very high | 7 Ų | 7 | 23 Ų | 23 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 153.3 | 175.1 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | C97 C98 L99 F123 V378 | C97-S125 PolarHBondContact O-N 3.44Å; C98-S125 CarbonylContact C-O 3.57Å; C98-S125 WeakPolarHBondContact CA-O 3.21Å; C98-S125 WeakPolarHBondContact CA-OG 3.45Å; C98-S125 VanDerWaalsContact CB-OG 3.32Å; C98-S125 WeakPolarHBondContact CB-OG 3.1Å; C98-S125 PolarHBondContact SG-OG 2.84Å; L99-S125 PolarHBondContact N-O 3.32Å; F123-S125 VanDerWaalsContact C-N 3.29Å; F123-S125 PolarHBondContact O-N 3.31Å; S125-V378 CarbonylContact C-O 3.59Å; S125-V378 WeakPolarHBondContact CA-O 3.4Å; S125-V378 WeakPolarHBondContact CB-O 3.48Å |
| 126 | V | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.6 | -177.9 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | L99 I101 L117 F118 F123 C128 V378 F395 | L99-V126 HydrophobicContact CB-CG2 4.35Å; L99-V126 HydrophobicContact CD2-CG1 4.49Å; L99-V126 CarbonylContact O-C 3.51Å; L99-V126 VanDerWaalsContact O-CA 3.31Å; L99-V126 WeakPolarHBondContact O-CA 3.4Å; I101-V126 HydrophobicContact CG2-CG1 4.06Å; L117-V126 HydrophobicContact CB-CG2 4.24Å; L117-V126 HydrophobicContact CD1-CG1 3.89Å; F118-V126 HydrophobicContact CD1-CG2 4.24Å; F118-V126 HydrophobicContact CE1-CB 4.13Å; F118-V126 HydrophobicContact CE1-CG2 3.67Å; F118-V126 HydrophobicContact CE2-CB 4.08Å; F118-V126 HydrophobicContact CE2-CG2 4.08Å; F118-V126 HydrophobicContact CZ-CB 3.58Å; F118-V126 HydrophobicContact CZ-CG2 3.59Å; F123-V126 HydrophobicContact CB-CG2 3.78Å; V126-C128 VanDerWaalsContact CG1-SG 3.54Å; V126-V378 PolarHBondContact N-O 3.34Å; V126-V378 PolarHBondContact O-N 2.85Å; V126-F395 HydrophobicContact CB-CZ 4.47Å; V126-F395 HydrophobicContact CG1-CZ 4.47Å; V126-F395 VanDerWaalsContact O-CE1 3.31Å; V126-F395 WeakPolarHBondContact O-CE1 3.11Å; V126-F395 VanDerWaalsContact O-CZ 3.27Å; V126-F395 WeakPolarHBondContact O-CZ 3.48Å |
| 127 | Y | 96.4 | Very high | 96.6 | Very high | 37 Ų | 37 | 21.4 Ų | 21.4 | 15% | 0.145 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 119.9 | 160.7 | 173.5 | -118.4 | 0 | 0 | 0 | 109.3 | L99 I100 I101 A129 L134 L367 I376 F395 | L99-Y127 PolarHBondContact O-N 3.35Å; I100-Y127 HydrophobicContact CG2-CD1 4.07Å; I101-Y127 PolarHBondContact N-O 2.93Å; Y127-A129 HydrophobicContact CD1-CB 4.47Å; Y127-A129 HydrophobicContact CE1-CB 3.64Å; Y127-A129 HydrophobicContact CE2-CB 4.3Å; Y127-A129 WeakPolarHBondContact OH-CB 3.19Å; Y127-L134 HydrophobicContact CE1-CD2 3.99Å; Y127-L367 HydrophobicContact CD1-CD2 3.65Å; Y127-L367 HydrophobicContact CE1-CD2 3.37Å; Y127-I376 HydrophobicContact CD1-CD1 4.44Å; Y127-I376 HydrophobicContact CD2-CB 4.25Å; Y127-I376 HydrophobicContact CD2-CD1 4.06Å; Y127-I376 HydrophobicContact CD2-CG1 3.99Å; Y127-I376 WeakPolarHBondContact CD2-O 3.38Å; Y127-I376 HydrophobicContact CE1-CD1 4.12Å; Y127-I376 HydrophobicContact CE2-CB 4.15Å; Y127-I376 HydrophobicContact CE2-CD1 3.71Å; Y127-I376 HydrophobicContact CE2-CG1 4.04Å; Y127-I376 HydrophobicContact CG-CD1 4.41Å; Y127-I376 HydrophobicContact CG-CG1 4.44Å; Y127-F395 HydrophobicContact CD2-CD1 4.21Å; Y127-F395 HydrophobicContact CD2-CE1 4.33Å |
| 128 | C | 95.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.4 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 109.8 | I101 V126 F395 | I101-C128 WeakPolarHBondContact O-CA 3.2Å; V126-C128 VanDerWaalsContact CG1-SG 3.54Å; C128-F395 HydrophobicContact CB-CD1 4.36Å; C128-F395 HydrophobicContact CB-CD2 3.85Å; C128-F395 HydrophobicContact CB-CE2 4.09Å; C128-F395 HydrophobicContact CB-CG 4Å; C128-F395 HydrophobicContact CB-CZ 4.45Å |
| 129 | A | 94.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 158 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I101 T102 E103 Y127 A133 L134 | I101-A129 PolarHBondContact O-N 3.24Å; T102-A129 CarbonylContact C-O 3.57Å; T102-A129 WeakPolarHBondContact CA-O 3.2Å; E103-A129 PolarHBondContact N-O 2.92Å; Y127-A129 HydrophobicContact CD1-CB 4.47Å; Y127-A129 HydrophobicContact CE1-CB 3.64Å; Y127-A129 HydrophobicContact CE2-CB 4.3Å; Y127-A129 WeakPolarHBondContact OH-CB 3.19Å; A129-A133 HydrophobicContact CB-CB 4.22Å; A129-L134 HydrophobicContact CB-CD2 4.47Å |
| 130 | P | 95.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | trans | -67.7 | 151.5 | 169.2 | 28 | -33.2 | 0 | 0 | 0 | 111.8 | E103 H105 T132 A133 L134 | E103-P130 WeakPolarHBondContact O-CA 3.43Å; H105-P130 WeakPolarHBondContact CE1-CB 3.42Å; H105-P130 VanDerWaalsContact CE1-CG 3.46Å; H105-P130 WeakPolarHBondContact CE1-CG 3.25Å; P130-T132 PolarHBondContact O-N 2.65Å; P130-T132 VanDerWaalsContact O-N 3.11Å; P130-A133 HydrophobicContact CG-CB 3.91Å; P130-A133 WeakPolarHBondContact O-CB 3.26Å; P130-A133 PolarHBondContact O-N 3.1Å; P130-L134 PolarHBondContact O-N 3.04Å | ||
| 131 | A | 96.7 | Very high | 96.3 | Very high | 18 Ų | 18 | 21.7 Ų | 21.7 | 15% | 0.149 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.2 | -28.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T102 S135 A360 | T102-A131 HydrophobicContact CG2-CB 4.06Å; A131-S135 WeakPolarHBondContact O-CB 3.31Å; A131-S135 PolarHBondContact O-N 2.92Å; A131-S135 PolarHBondContact O-OG 2.97Å; A131-A360 HydrophobicContact CB-CB 3.91Å; A131-A360 WeakPolarHBondContact O-CB 3.35Å |
| 132 | T | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.9 | -34.7 | 174.6 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | H105 P130 S135 M136 V151 D153 V162 Y164 | H105-T132 PolarHBondContact CE1-OG1 2.79Å; H105-T132 PolarHBondContact NE2-OG1 2.8Å; P130-T132 PolarHBondContact O-N 2.65Å; P130-T132 VanDerWaalsContact O-N 3.11Å; T132-S135 PolarHBondContact O-N 2.81Å; T132-M136 WeakPolarHBondContact O-CB 3.12Å; T132-M136 PolarHBondContact O-N 2.77Å; T132-V151 HydrophobicContact CG2-CB 4.43Å; T132-V151 HydrophobicContact CG2-CG1 3.96Å; T132-D153 HydrophobicContact CG2-CB 3.61Å; T132-V162 HydrophobicContact CG2-CB 4.36Å; T132-V162 HydrophobicContact CG2-CG2 3.76Å; T132-Y164 PolarHBondContact OG1-OH 2.72Å |
| 133 | A | 96.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 11% | 0.107 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.7 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A129 P130 S135 M136 Y137 Y164 | A129-A133 HydrophobicContact CB-CB 4.22Å; P130-A133 HydrophobicContact CG-CB 3.91Å; P130-A133 WeakPolarHBondContact O-CB 3.26Å; P130-A133 PolarHBondContact O-N 3.1Å; A133-S135 VanDerWaalsContact C-N 3.35Å; A133-M136 WeakPolarHBondContact O-CB 3.47Å; A133-M136 PolarHBondContact O-N 3.44Å; A133-Y137 PolarHBondContact O-N 2.93Å; A133-Y164 VanDerWaalsContact CA-OH 3.3Å; A133-Y164 WeakPolarHBondContact CA-OH 3.49Å; A133-Y164 HydrophobicContact CB-CE1 4.24Å; A133-Y164 PolarHBondContact N-OH 3.4Å |
| 134 | L | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 173.6 | -58.2 | -175.3 | 0 | 0 | 0 | 111.2 | I100 T102 Y127 A129 P130 M136 Y137 K138 A360 G363 L367 | I100-L134 HydrophobicContact CG2-CD1 4.11Å; I100-L134 HydrophobicContact CG2-CD2 4.23Å; T102-L134 HydrophobicContact CG2-CD1 3.63Å; Y127-L134 HydrophobicContact CE1-CD2 3.99Å; A129-L134 HydrophobicContact CB-CD2 4.47Å; P130-L134 PolarHBondContact O-N 3.04Å; L134-M136 VanDerWaalsContact C-N 3.33Å; L134-M136 PolarHBondContact O-N 2.69Å; L134-Y137 WeakPolarHBondContact O-CB 3.45Å; L134-Y137 PolarHBondContact O-N 2.81Å; L134-Y137 VanDerWaalsContact O-N 3.15Å; L134-K138 PolarHBondContact O-N 2.87Å; L134-A360 HydrophobicContact CB-CB 4.31Å; L134-A360 WeakPolarHBondContact CB-O 3.13Å; L134-G363 VanDerWaalsContact O-CA 3.31Å; L134-G363 WeakPolarHBondContact O-CA 3.48Å; L134-L367 HydrophobicContact CD2-CD2 4.12Å |
| 135 | S | 97.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 174.5 | -68.5 | 0 | 0 | 0 | 0 | 112.7 | A131 T132 A133 K138 Y139 N359 | A131-S135 WeakPolarHBondContact O-CB 3.31Å; A131-S135 PolarHBondContact O-N 2.92Å; A131-S135 PolarHBondContact O-OG 2.97Å; T132-S135 PolarHBondContact O-N 2.81Å; A133-S135 VanDerWaalsContact C-N 3.35Å; S135-K138 PolarHBondContact O-N 2.81Å; S135-Y139 PolarHBondContact O-N 2.74Å; S135-Y139 VanDerWaalsContact O-N 3.11Å; S135-N359 VanDerWaalsContact CA-ND2 3.29Å; S135-N359 WeakPolarHBondContact CA-ND2 3.39Å; S135-N359 WeakPolarHBondContact CB-ND2 3.27Å; S135-N359 PolarHBondContact OG-ND2 3.35Å; S135-N359 VanDerWaalsContact OG-ND2 3.11Å |
| 136 | M | 96.5 | Very high | 94.5 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.069 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 172 | 175.4 | -81.1 | -64.9 | 0 | 0 | 110.9 | T132 A133 L134 K138 Y139 V140 V151 Y164 G167 | T132-M136 WeakPolarHBondContact O-CB 3.12Å; T132-M136 PolarHBondContact O-N 2.77Å; A133-M136 WeakPolarHBondContact O-CB 3.47Å; A133-M136 PolarHBondContact O-N 3.44Å; L134-M136 VanDerWaalsContact C-N 3.33Å; L134-M136 PolarHBondContact O-N 2.69Å; M136-K138 VanDerWaalsContact C-N 3.33Å; M136-K138 PolarHBondContact O-N 3.15Å; M136-Y139 WeakPolarHBondContact O-CA 3.42Å; M136-Y139 WeakPolarHBondContact O-CB 3.3Å; M136-Y139 PolarHBondContact O-N 2.84Å; M136-V140 HydrophobicContact CG-CG2 4.3Å; M136-V140 WeakPolarHBondContact O-CG2 3.48Å; M136-V140 PolarHBondContact O-N 2.86Å; M136-V140 HydrophobicContact SD-CB 4.46Å; M136-V140 HydrophobicContact SD-CG2 3.61Å; M136-V151 HydrophobicContact CB-CG2 3.92Å; M136-Y164 HydrophobicContact CB-CD1 4.41Å; M136-Y164 HydrophobicContact CB-CD2 3.78Å; M136-Y164 HydrophobicContact CB-CE2 3.98Å; M136-Y164 HydrophobicContact CB-CG 4.02Å; M136-Y164 HydrophobicContact CE-CD1 3.77Å; M136-Y164 HydrophobicContact CE-CE1 4.16Å; M136-Y164 HydrophobicContact CE-CG 4.28Å; M136-Y164 HydrophobicContact CG-CD1 4.06Å; M136-Y164 HydrophobicContact CG-CD2 3.82Å; M136-Y164 HydrophobicContact CG-CE2 4.46Å; M136-Y164 HydrophobicContact CG-CG 3.59Å; M136-G167 VanDerWaalsContact CE-O 3.32Å; M136-G167 WeakPolarHBondContact CE-O 3.4Å |
| 137 | Y | 95.5 | Very high | 94.2 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 22% | 0.216 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.2 | -46 | 178.4 | -167.5 | -91.2 | 0 | 0 | 0 | 111.8 | A133 L134 Y139 V140 Y141 L366 L367 S370 | A133-Y137 PolarHBondContact O-N 2.93Å; L134-Y137 WeakPolarHBondContact O-CB 3.45Å; L134-Y137 PolarHBondContact O-N 2.81Å; L134-Y137 VanDerWaalsContact O-N 3.15Å; Y137-Y139 VanDerWaalsContact C-N 3.33Å; Y137-Y139 PolarHBondContact O-N 2.8Å; Y137-V140 PolarHBondContact O-N 2.87Å; Y137-Y141 WeakPolarHBondContact O-CB 3.21Å; Y137-Y141 PolarHBondContact O-N 2.97Å; Y137-L366 HydrophobicContact CD1-CB 4.19Å; Y137-L366 HydrophobicContact CE1-CB 3.95Å; Y137-L367 HydrophobicContact CD1-CB 4.07Å; Y137-L367 HydrophobicContact CD2-CD1 4.26Å; Y137-L367 HydrophobicContact CE1-CB 3.9Å; Y137-L367 HydrophobicContact CE1-CD1 4.32Å; Y137-L367 HydrophobicContact CE2-CD1 3.75Å; Y137-S370 WeakPolarHBondContact OH-CB 3.49Å; Y137-S370 PolarHBondContact OH-OG 3.18Å |
| 138 | K | 96.2 | Very high | 94.2 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 172.9 | 178.9 | 61.3 | 170.2 | 82.7 | 0 | 111.7 | L134 S135 M136 Y141 D142 R362 L366 | L134-K138 PolarHBondContact O-N 2.87Å; S135-K138 PolarHBondContact O-N 2.81Å; M136-K138 VanDerWaalsContact C-N 3.33Å; M136-K138 PolarHBondContact O-N 3.15Å; K138-Y141 WeakPolarHBondContact O-CB 3.44Å; K138-Y141 PolarHBondContact O-N 3.38Å; K138-D142 IonicContact NZ-OD1 2.66Å; K138-D142 PolarHBondContact NZ-OD1 3.47Å; K138-D142 IonicContact NZ-OD2 3.78Å; K138-D142 PolarHBondContact NZ-OD2 3.12Å; K138-D142 VanDerWaalsContact O-CG 3.32Å; K138-D142 PolarHBondContact O-N 2.89Å; K138-D142 VanDerWaalsContact O-N 3.13Å; K138-R362 HydrophobicContact CD-CB 4.34Å; K138-L366 HydrophobicContact CD-CD1 3.32Å |
| 139 | Y | 96 | Very high | 94.3 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 179.7 | -178.4 | -102.7 | 0 | 0 | 0 | 112.9 | S135 M136 Y137 Y141 D142 N143 Q146 C149 N317 I319 K351 | S135-Y139 PolarHBondContact O-N 2.74Å; S135-Y139 VanDerWaalsContact O-N 3.11Å; M136-Y139 WeakPolarHBondContact O-CA 3.42Å; M136-Y139 WeakPolarHBondContact O-CB 3.3Å; M136-Y139 PolarHBondContact O-N 2.84Å; Y137-Y139 VanDerWaalsContact C-N 3.33Å; Y137-Y139 PolarHBondContact O-N 2.8Å; Y139-Y141 VanDerWaalsContact C-N 3.33Å; Y139-D142 PolarHBondContact O-N 2.88Å; Y139-N143 WeakPolarHBondContact CD2-ND2 3.34Å; Y139-N143 HydrophobicContact CE1-CB 4.13Å; Y139-N143 HydrophobicContact CE2-CB 4.41Å; Y139-N143 VanDerWaalsContact CE2-ND2 3.25Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.5Å; Y139-N143 VanDerWaalsContact O-CB 3.3Å; Y139-N143 WeakPolarHBondContact O-CB 3.29Å; Y139-N143 PolarHBondContact O-N 3.33Å; Y139-N143 PolarHBondContact O-ND2 3.5Å; Y139-Q146 HydrophobicContact CE1-CB 4.25Å; Y139-Q146 HydrophobicContact CE1-CG 4.46Å; Y139-C149 HydrophobicContact CD1-CB 3.71Å; Y139-C149 HydrophobicContact CE1-CB 3.73Å; Y139-N317 HydrophobicContact CE1-CB 4.22Å; Y139-N317 PolarHBondContact OH-OD1 2.94Å; Y139-I319 HydrophobicContact CD1-CD1 3.49Å; Y139-I319 VanDerWaalsContact CD1-CD1 3.49Å; Y139-I319 HydrophobicContact CD1-CG1 4.37Å; Y139-I319 HydrophobicContact CD2-CD1 3.33Å; Y139-I319 HydrophobicContact CD2-CG1 3.33Å; Y139-I319 HydrophobicContact CE1-CD1 3.91Å; Y139-I319 HydrophobicContact CE2-CD1 3.76Å; Y139-I319 HydrophobicContact CE2-CG1 3.56Å; Y139-I319 HydrophobicContact CG-CD1 3.16Å; Y139-I319 HydrophobicContact CG-CG1 3.76Å; Y139-K351 HydrophobicContact CE2-CD 3.81Å; Y139-K351 PolarHBondContact OH-NZ 2.8Å |
| 140 | V | 93.8 | Very high | 94.5 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65 | -39.2 | 179.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | M136 Y137 D142 N143 R144 | M136-V140 HydrophobicContact CG-CG2 4.3Å; M136-V140 WeakPolarHBondContact O-CG2 3.48Å; M136-V140 PolarHBondContact O-N 2.86Å; M136-V140 HydrophobicContact SD-CB 4.46Å; M136-V140 HydrophobicContact SD-CG2 3.61Å; Y137-V140 PolarHBondContact O-N 2.87Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-D142 PolarHBondContact O-N 2.73Å; V140-N143 CarbonylContact O-C 3.51Å; V140-N143 VanDerWaalsContact O-C 3.23Å; V140-N143 PolarHBondContact O-N 2.86Å; V140-R144 WeakPolarHBondContact O-CA 3.31Å; V140-R144 PolarHBondContact O-N 3.36Å; V140-R144 VanDerWaalsContact O-N 3.08Å |
| 141 | Y | 93.7 | Very high | 94.6 | Very high | 106 Ų | 106 | 40.1 Ų | 40.1 | 42% | 0.416 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 174.9 | -177.3 | -86.4 | 0 | 0 | 0 | 112 | Y137 K138 Y139 R144 L366 | Y137-Y141 WeakPolarHBondContact O-CB 3.21Å; Y137-Y141 PolarHBondContact O-N 2.97Å; K138-Y141 WeakPolarHBondContact O-CB 3.44Å; K138-Y141 PolarHBondContact O-N 3.38Å; Y139-Y141 VanDerWaalsContact C-N 3.33Å; Y141-R144 WeakPolarHBondContact O-CG 3.42Å; Y141-L366 HydrophobicContact CD1-CD1 3.71Å; Y141-L366 HydrophobicContact CD1-CD2 4.23Å; Y141-L366 HydrophobicContact CD2-CD1 4.25Å; Y141-L366 HydrophobicContact CD2-CD2 4.34Å; Y141-L366 HydrophobicContact CE1-CD1 4.26Å; Y141-L366 HydrophobicContact CE1-CD2 3.94Å; Y141-L366 HydrophobicContact CE2-CD2 4.04Å; Y141-L366 HydrophobicContact CG-CD1 3.71Å; Y141-L366 HydrophobicContact CG-CD2 4.42Å |
| 142 | D | 93.5 | Very high | 94.7 | Very high | 82 Ų | 82 | 39.3 Ų | 39.3 | 44% | 0.439 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -73.8 | -28 | 178.2 | -60.3 | -22.7 | 0 | 0 | 0 | 112.7 | K138 Y139 V140 | K138-D142 IonicContact NZ-OD1 2.66Å; K138-D142 PolarHBondContact NZ-OD1 3.47Å; K138-D142 IonicContact NZ-OD2 3.78Å; K138-D142 PolarHBondContact NZ-OD2 3.12Å; K138-D142 VanDerWaalsContact O-CG 3.32Å; K138-D142 PolarHBondContact O-N 2.89Å; K138-D142 VanDerWaalsContact O-N 3.13Å; Y139-D142 PolarHBondContact O-N 2.88Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-D142 PolarHBondContact O-N 2.73Å |
| 143 | N | 92.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 55.3 | -171.1 | -57.5 | -99.2 | 0 | 0 | 0 | 111.2 | Y139 V140 T145 Q146 K351 | Y139-N143 WeakPolarHBondContact CD2-ND2 3.34Å; Y139-N143 HydrophobicContact CE1-CB 4.13Å; Y139-N143 HydrophobicContact CE2-CB 4.41Å; Y139-N143 VanDerWaalsContact CE2-ND2 3.25Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.5Å; Y139-N143 VanDerWaalsContact O-CB 3.3Å; Y139-N143 WeakPolarHBondContact O-CB 3.29Å; Y139-N143 PolarHBondContact O-N 3.33Å; Y139-N143 PolarHBondContact O-ND2 3.5Å; V140-N143 CarbonylContact O-C 3.51Å; V140-N143 VanDerWaalsContact O-C 3.23Å; V140-N143 PolarHBondContact O-N 2.86Å; N143-T145 PolarHBondContact O-N 2.97Å; N143-Q146 HydrophobicContact CB-CB 4.45Å; N143-Q146 HydrophobicContact CB-CG 3.97Å; N143-Q146 PolarHBondContact O-N 3.47Å; N143-K351 PolarHBondContact OD1-NZ 2.84Å |
| 144 | R | 85.1 | Confident | 94.8 | Very high | 197 Ų | 197 | 40.2 Ų | 40.2 | 74% | 0.743 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -19.1 | -172.4 | -60.1 | -176.4 | -177.1 | -176.1 | -1.5 | 116.2 | V140 Y141 | V140-R144 WeakPolarHBondContact O-CA 3.31Å; V140-R144 PolarHBondContact O-N 3.36Å; V140-R144 VanDerWaalsContact O-N 3.08Å; Y141-R144 WeakPolarHBondContact O-CG 3.42Å |
| 145 | T | 86.7 | Confident | 94.8 | Very high | 122 Ų | 122 | 41 Ų | 41 | 75% | 0.748 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6.9 | -179.5 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | N143 | N143-T145 PolarHBondContact O-N 2.97Š|
| 146 | Q | 89.3 | Confident | 94.7 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | trans | -95.5 | 116.4 | -174.9 | -60.4 | -60.2 | -30.4 | 0 | 0 | 110.3 | Y139 N143 G148 N317 | Y139-Q146 HydrophobicContact CE1-CB 4.25Å; Y139-Q146 HydrophobicContact CE1-CG 4.46Å; N143-Q146 HydrophobicContact CB-CB 4.45Å; N143-Q146 HydrophobicContact CB-CG 3.97Å; N143-Q146 PolarHBondContact O-N 3.47Å; Q146-G148 VanDerWaalsContact C-N 3.29Å; Q146-G148 PolarHBondContact O-N 2.9Å; Q146-N317 VanDerWaalsContact CG-OD1 3.31Å; Q146-N317 WeakPolarHBondContact CG-OD1 3.41Å; Q146-N317 PolarHBondContact OE1-ND2 3.14Å; Q146-N317 PolarHBondContact OE1-OD1 2.92Å | ||
| 147 | P | 92.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 43 Ų | 43 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -76.7 | -16.5 | -178.1 | 30.1 | -33.9 | 0 | 0 | 0 | 112.6 | Y165 E166 I313 | P147-Y165 HydrophobicContact CB-CE2 4.34Å; P147-Y165 HydrophobicContact CG-CE2 4.5Å; P147-Y165 CarbonylContact O-C 3.39Å; P147-E166 WeakPolarHBondContact O-CA 3.2Å; P147-E166 PolarHBondContact O-N 3.32Å; P147-I313 HydrophobicContact CG-CD1 4.05Å; P147-I313 HydrophobicContact CG-CG2 3.88Å |
| 148 | G | 95.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 160.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q146 Y164 N317 | Q146-G148 VanDerWaalsContact C-N 3.29Å; Q146-G148 PolarHBondContact O-N 2.9Å; G148-Y164 CarbonylContact C-O 3.5Å; G148-Y164 WeakPolarHBondContact CA-O 3.5Å; G148-N317 WeakPolarHBondContact O-CB 3.28Å; G148-N317 PolarHBondContact O-ND2 3.13Å |
| 149 | C | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 166.2 | 177.8 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | Y139 Y164 L314 N317 I319 | Y139-C149 HydrophobicContact CD1-CB 3.71Å; Y139-C149 HydrophobicContact CE1-CB 3.73Å; C149-Y164 PolarHBondContact N-O 3.24Å; C149-Y164 PolarHBondContact O-N 3.3Å; C149-L314 WeakPolarHBondContact O-CD2 3.43Å; C149-N317 CarbonylContact C-O 3.57Å; C149-N317 WeakPolarHBondContact CA-O 3.3Å; C149-N317 HydrophobicContact CB-CB 3.86Å; C149-N317 WeakPolarHBondContact CB-O 3.44Å; C149-I319 HydrophobicContact CB-CD1 3.57Å |
| 150 | V | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.5 | 171.1 | -179 | 0 | 0 | 0 | 0 | 107.9 | V152 V161 V162 P163 I302 L314 N317 I318 I319 | V150-V152 HydrophobicContact CG1-CG2 4.36Å; V150-V161 HydrophobicContact CG1-CG1 3.54Å; V150-V162 WeakPolarHBondContact CA-O 3.36Å; V150-P163 HydrophobicContact CG2-CB 4.27Å; V150-I302 HydrophobicContact CG2-CD1 3.79Å; V150-I302 HydrophobicContact CG2-CG1 3.85Å; V150-L314 HydrophobicContact CG2-CB 3.71Å; V150-L314 HydrophobicContact CG2-CD1 4.46Å; V150-L314 HydrophobicContact CG2-CD2 3.94Å; V150-L314 HydrophobicContact CG2-CG 4.23Å; V150-N317 PolarHBondContact N-O 3.25Å; V150-I318 HydrophobicContact CB-CG1 4.33Å; V150-I318 CarbonylContact O-C 3.6Å; V150-I318 WeakPolarHBondContact O-CA 3.48Å; V150-I319 PolarHBondContact O-N 3Å |
| 151 | V | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.2 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | T132 M136 V161 V162 Y164 I319 T321 | T132-V151 HydrophobicContact CG2-CB 4.43Å; T132-V151 HydrophobicContact CG2-CG1 3.96Å; M136-V151 HydrophobicContact CB-CG2 3.92Å; V151-V161 WeakPolarHBondContact O-CA 3.45Å; V151-V162 PolarHBondContact N-O 3.12Å; V151-V162 PolarHBondContact O-N 2.88Å; V151-Y164 HydrophobicContact CB-CE2 4.37Å; V151-Y164 HydrophobicContact CG2-CD2 4.03Å; V151-Y164 HydrophobicContact CG2-CE2 4.03Å; V151-I319 HydrophobicContact CG2-CD1 4.5Å; V151-T321 HydrophobicContact CG1-CG2 3.65Å |
| 152 | V | 98.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 99.6 | 170.6 | -176 | 0 | 0 | 0 | 0 | 107.1 | V150 T159 Y160 V161 L294 V298 I318 I319 L320 T321 | V150-V152 HydrophobicContact CG1-CG2 4.36Å; V152-T159 HydrophobicContact CG1-CG2 4.17Å; V152-Y160 CarbonylContact C-O 3.52Å; V152-Y160 VanDerWaalsContact CA-O 3.3Å; V152-Y160 WeakPolarHBondContact CA-O 3.41Å; V152-V161 HydrophobicContact CG1-CG2 4.32Å; V152-V161 HydrophobicContact CG2-CG2 4.25Å; V152-L294 HydrophobicContact CG1-CD1 3.77Å; V152-V298 HydrophobicContact CG2-CG2 3.94Å; V152-I318 HydrophobicContact CG2-CG2 3.74Å; V152-I319 PolarHBondContact N-O 3.12Å; V152-L320 HydrophobicContact CB-CD2 3.65Å; V152-L320 HydrophobicContact CG1-CD2 4.03Å; V152-L320 HydrophobicContact CG2-CD2 4.01Å; V152-T321 PolarHBondContact O-N 2.9Å |
| 153 | D | 98.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 28.4 Ų | 28.4 | 18% | 0.176 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 101.9 | 178.2 | 179 | 23.2 | 0 | 0 | 0 | 110.1 | T132 T159 Y160 T321 G322 | T132-D153 HydrophobicContact CG2-CB 3.61Å; D153-T159 CarbonylContact O-C 3.57Å; D153-T159 VanDerWaalsContact O-CA 3.25Å; D153-T159 WeakPolarHBondContact O-CA 3.43Å; D153-Y160 PolarHBondContact N-O 3.06Å; D153-Y160 PolarHBondContact O-N 3.29Å; D153-T321 CarbonylContact C-O 3.54Å; D153-T321 WeakPolarHBondContact CA-O 3.44Å; D153-T321 HydrophobicContact CB-CG2 3.74Å; D153-G322 WeakPolarHBondContact OD1-CA 3.42Å |
| 154 | S | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 93.1 | 177.8 | -165.5 | 0 | 0 | 0 | 0 | 110.9 | T159 T321 G322 G323 N324 | S154-T159 WeakPolarHBondContact CB-OG1 3.18Å; S154-T159 PolarHBondContact OG-OG1 2.85Å; S154-T321 PolarHBondContact N-O 3.28Å; S154-G322 CarbonylContact O-C 3.6Å; S154-G323 PolarHBondContact O-N 3.4Å; S154-N324 PolarHBondContact O-N 3.06Å; S154-N324 PolarHBondContact O-ND2 2.98Å; S154-N324 WeakPolarHBondContact OG-CB 3.31Å; S154-N324 PolarHBondContact OG-ND2 2.84Å |
| 155 | G | 96.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 20.2 Ų | 20.2 | 18% | 0.175 | 11% | 0.113 | C | C | . | . | trans | -101.8 | -159.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C158 G180 G181 N324 | G155-C158 PolarHBondContact N-O 2.89Å; G155-C158 VanDerWaalsContact N-O 3.1Å; G155-G180 WeakPolarHBondContact O-CA 3.3Å; G155-G181 PolarHBondContact O-N 2.9Å; G155-N324 PolarHBondContact O-ND2 2.88Å | ||
| 156 | Y | 95.6 | Very high | 96.7 | Very high | 34 Ų | 34 | 21 Ų | 21 | 13% | 0.133 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -70.7 | -44.4 | -177.7 | 176.2 | -108.4 | 0 | 0 | 0 | 113.4 | Y16 L64 G180 G181 K182 | Y16-Y156 VanDerWaalsContact CB-CG 3.41Å; Y16-Y156 HydrophobicContact CD1-CD2 4.4Å; Y16-Y156 AromaticContact CD2-CD2 3.89Å; Y16-Y156 HydrophobicContact CD2-CD2 3.89Å; Y16-Y156 HydrophobicContact CD2-CE1 4.5Å; Y16-Y156 AromaticContact CD2-CE2 3.61Å; Y16-Y156 HydrophobicContact CD2-CE2 3.61Å; Y16-Y156 HydrophobicContact CD2-CG 4.45Å; Y16-Y156 AromaticContact CD2-CZ 3.95Å; Y16-Y156 HydrophobicContact CE2-CE2 4.24Å; Y16-Y156 AromaticContact CG-CD2 3.71Å; Y16-Y156 HydrophobicContact CG-CD2 3.71Å; Y16-Y156 AromaticContact CG-CE2 3.95Å; Y16-Y156 HydrophobicContact CG-CE2 3.95Å; Y16-Y156 HydrophobicContact CG-CG 4.08Å; L64-Y156 HydrophobicContact CD1-CE1 3.91Å; L64-Y156 WeakPolarHBondContact CD1-OH 3.47Å; Y156-G180 CarbonylContact O-C 3.5Å; Y156-G181 PolarHBondContact O-N 2.92Å; Y156-K182 HydrophobicContact CD1-CB 4.26Å; Y156-K182 HydrophobicContact CD2-CB 4.09Å; Y156-K182 HydrophobicContact CE1-CB 3.87Å; Y156-K182 HydrophobicContact CE1-CD 3.84Å; Y156-K182 HydrophobicContact CE1-CG 4.15Å; Y156-K182 HydrophobicContact CE2-CB 3.69Å; Y156-K182 HydrophobicContact CE2-CG 4.25Å; Y156-K182 HydrophobicContact CG-CB 4.35Å; Y156-K182 VanDerWaalsContact O-CB 3.31Å; Y156-K182 WeakPolarHBondContact O-CB 3.35Å; Y156-K182 PolarHBondContact O-N 2.82Å |
| 157 | S | 94.9 | Very high | 96.8 | Very high | 24 Ų | 24 | 20.8 Ų | 20.8 | 17% | 0.168 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -94.6 | -34 | -172.9 | -67.5 | 0 | 0 | 0 | 0 | 114.2 | G69 | G69-S157 PolarHBondContact N-OG 2.94Š|
| 158 | C | 96.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 26 Ų | 26 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | trans | -160.3 | 173.5 | -172.1 | 54.3 | 0 | 0 | 0 | 0 | 109.4 | G155 Y160 R176 L177 V179 | G155-C158 PolarHBondContact N-O 2.89Å; G155-C158 VanDerWaalsContact N-O 3.1Å; C158-Y160 WeakPolarHBondContact SG-CE2 3.43Å; C158-R176 HydrophobicContact CB-CG 4.29Å; C158-L177 WeakPolarHBondContact CA-O 3.36Å; C158-L177 VanDerWaalsContact CB-O 3.3Å; C158-L177 WeakPolarHBondContact CB-O 3.41Å; C158-V179 CarbonylContact C-O 3.53Å | ||
| 159 | T | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.8 | 172.4 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | V152 D153 S154 L177 V179 L294 | V152-T159 HydrophobicContact CG1-CG2 4.17Å; D153-T159 CarbonylContact O-C 3.57Å; D153-T159 VanDerWaalsContact O-CA 3.25Å; D153-T159 WeakPolarHBondContact O-CA 3.43Å; S154-T159 WeakPolarHBondContact CB-OG1 3.18Å; S154-T159 PolarHBondContact OG-OG1 2.85Å; T159-L177 PolarHBondContact N-O 2.9Å; T159-L177 PolarHBondContact O-N 3.24Å; T159-V179 PolarHBondContact N-O 3.44Å; T159-V179 PolarHBondContact OG1-O 3.21Å; T159-L294 HydrophobicContact CG2-CD1 3.67Å |
| 160 | Y | 97.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 7% | 0.067 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 141.1 | 175.4 | -81.9 | -80.8 | 0 | 0 | 0 | 111 | H105 V152 D153 C158 V174 R176 | H105-Y160 HydrophobicContact CB-CD1 4.44Å; H105-Y160 HydrophobicContact CB-CE1 3.77Å; H105-Y160 AromaticContact CD2-CD1 3.71Å; H105-Y160 AromaticContact CD2-CD2 3.9Å; H105-Y160 AromaticContact CD2-CE1 3.85Å; H105-Y160 AromaticContact CD2-CG 3.73Å; V152-Y160 CarbonylContact C-O 3.52Å; V152-Y160 VanDerWaalsContact CA-O 3.3Å; V152-Y160 WeakPolarHBondContact CA-O 3.41Å; D153-Y160 PolarHBondContact N-O 3.06Å; D153-Y160 PolarHBondContact O-N 3.29Å; C158-Y160 WeakPolarHBondContact SG-CE2 3.43Å; Y160-V174 HydrophobicContact CD1-CG1 4.23Å; Y160-R176 HydrophobicContact CD1-CB 3.93Å; Y160-R176 HydrophobicContact CD1-CG 4.29Å; Y160-R176 HydrophobicContact CE1-CB 3.65Å; Y160-R176 HydrophobicContact CE1-CG 3.85Å; Y160-R176 HydrophobicContact CE2-CG 4.48Å; Y160-R176 PolarHBondContact OH-NH1 2.99Å |
| 161 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.6 | 166.7 | 176 | 0 | 0 | 0 | 0 | 107.3 | V150 V151 V152 V174 V175 I297 V298 | V150-V161 HydrophobicContact CG1-CG1 3.54Å; V151-V161 WeakPolarHBondContact O-CA 3.45Å; V152-V161 HydrophobicContact CG1-CG2 4.32Å; V152-V161 HydrophobicContact CG2-CG2 4.25Å; V161-V174 WeakPolarHBondContact O-CA 3.35Å; V161-V175 PolarHBondContact N-O 3.32Å; V161-V175 PolarHBondContact O-N 3.16Å; V161-I297 HydrophobicContact CB-CD1 4.43Å; V161-I297 HydrophobicContact CG2-CD1 3.44Å; V161-I297 VanDerWaalsContact CG2-CD1 3.44Å; V161-I297 HydrophobicContact CG2-CG1 3.83Å; V161-V298 HydrophobicContact CG1-CG2 4.18Å; V161-V298 HydrophobicContact CG2-CG2 3.63Å |
| 162 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 106.8 | -171.6 | -169.7 | 0 | 0 | 0 | 0 | 110 | T132 V150 V151 Y164 M169 V174 | T132-V162 HydrophobicContact CG2-CB 4.36Å; T132-V162 HydrophobicContact CG2-CG2 3.76Å; V150-V162 WeakPolarHBondContact CA-O 3.36Å; V151-V162 PolarHBondContact N-O 3.12Å; V151-V162 PolarHBondContact O-N 2.88Å; V162-Y164 HydrophobicContact CB-CD2 4.47Å; V162-Y164 HydrophobicContact CB-CE2 3.78Å; V162-Y164 HydrophobicContact CG1-CD2 4.03Å; V162-Y164 HydrophobicContact CG1-CE1 4.38Å; V162-Y164 HydrophobicContact CG1-CE2 3.28Å; V162-Y164 VanDerWaalsContact CG1-CZ 3.47Å; V162-Y164 WeakPolarHBondContact CG1-OH 3.28Å; V162-Y164 WeakPolarHBondContact O-CD2 3.3Å; V162-M169 HydrophobicContact CG1-CG 3.66Å; V162-M169 HydrophobicContact CG1-SD 3.68Å; V162-V174 HydrophobicContact CG1-CG2 4.14Å; V162-V174 HydrophobicContact CG2-CG1 4.31Å |
| 163 | P | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 135.2 | 173.1 | 22.6 | -21.3 | 0 | 0 | 0 | 111.2 | V150 V170 G173 C306 L314 | V150-P163 HydrophobicContact CG2-CB 4.27Å; P163-V170 HydrophobicContact CB-CB 4.19Å; P163-V170 HydrophobicContact CG-CB 4.01Å; P163-V170 PolarHBondContact O-N 2.86Å; P163-G173 WeakPolarHBondContact CD-O 3.5Å; P163-C306 WeakPolarHBondContact CG-SG 3.45Å; P163-L314 HydrophobicContact CB-CD1 4.03Å; P163-L314 HydrophobicContact CB-CD2 4.4Å |
| 164 | Y | 97.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.7 | 173.3 | -68.5 | -89.4 | 0 | 0 | 0 | 110.5 | T132 A133 M136 G148 C149 V151 V162 K168 M169 | T132-Y164 PolarHBondContact OG1-OH 2.72Å; A133-Y164 VanDerWaalsContact CA-OH 3.3Å; A133-Y164 WeakPolarHBondContact CA-OH 3.49Å; A133-Y164 HydrophobicContact CB-CE1 4.24Å; A133-Y164 PolarHBondContact N-OH 3.4Å; M136-Y164 HydrophobicContact CB-CD1 4.41Å; M136-Y164 HydrophobicContact CB-CD2 3.78Å; M136-Y164 HydrophobicContact CB-CE2 3.98Å; M136-Y164 HydrophobicContact CB-CG 4.02Å; M136-Y164 HydrophobicContact CE-CD1 3.77Å; M136-Y164 HydrophobicContact CE-CE1 4.16Å; M136-Y164 HydrophobicContact CE-CG 4.28Å; M136-Y164 HydrophobicContact CG-CD1 4.06Å; M136-Y164 HydrophobicContact CG-CD2 3.82Å; M136-Y164 HydrophobicContact CG-CE2 4.46Å; M136-Y164 HydrophobicContact CG-CG 3.59Å; G148-Y164 CarbonylContact C-O 3.5Å; G148-Y164 WeakPolarHBondContact CA-O 3.5Å; C149-Y164 PolarHBondContact N-O 3.24Å; C149-Y164 PolarHBondContact O-N 3.3Å; V151-Y164 HydrophobicContact CB-CE2 4.37Å; V151-Y164 HydrophobicContact CG2-CD2 4.03Å; V151-Y164 HydrophobicContact CG2-CE2 4.03Å; V162-Y164 HydrophobicContact CB-CD2 4.47Å; V162-Y164 HydrophobicContact CB-CE2 3.78Å; V162-Y164 HydrophobicContact CG1-CD2 4.03Å; V162-Y164 HydrophobicContact CG1-CE1 4.38Å; V162-Y164 HydrophobicContact CG1-CE2 3.28Å; V162-Y164 VanDerWaalsContact CG1-CZ 3.47Å; V162-Y164 WeakPolarHBondContact CG1-OH 3.28Å; V162-Y164 WeakPolarHBondContact O-CD2 3.3Å; Y164-K168 CarbonylContact C-O 3.5Å; Y164-K168 VanDerWaalsContact CA-O 3.22Å; Y164-K168 WeakPolarHBondContact CA-O 3.38Å; Y164-M169 HydrophobicContact CD1-CB 4Å; Y164-M169 HydrophobicContact CD1-CG 4.4Å; Y164-M169 HydrophobicContact CE1-CB 3.67Å; Y164-M169 HydrophobicContact CE1-CG 3.93Å |
| 165 | Y | 96.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 23% | 0.231 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 128.1 | 175.5 | -166.9 | -91.3 | 0 | 0 | 0 | 109.5 | P147 G167 K168 M310 I313 | P147-Y165 HydrophobicContact CB-CE2 4.34Å; P147-Y165 HydrophobicContact CG-CE2 4.5Å; P147-Y165 CarbonylContact O-C 3.39Å; Y165-G167 PolarHBondContact O-N 2.85Å; Y165-K168 PolarHBondContact N-O 3.45Å; Y165-K168 WeakPolarHBondContact O-CB 3.4Å; Y165-K168 PolarHBondContact O-N 2.83Å; Y165-M310 HydrophobicContact CD1-CE 3.82Å; Y165-M310 HydrophobicContact CD2-CE 4.24Å; Y165-M310 HydrophobicContact CD2-CG 4.03Å; Y165-M310 HydrophobicContact CD2-SD 4.18Å; Y165-M310 HydrophobicContact CE1-CE 4.39Å; Y165-M310 HydrophobicContact CE2-CG 4.27Å; Y165-M310 HydrophobicContact CG-CE 3.74Å; Y165-M310 HydrophobicContact CG-CG 4.46Å; Y165-M310 HydrophobicContact CG-SD 4.09Å; Y165-I313 HydrophobicContact CE2-CD1 3.88Å |
| 166 | E | 93.7 | Very high | 96.3 | Very high | 139 Ų | 139 | 41.4 Ų | 41.4 | 65% | 0.65 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 42.4 | -174.1 | -67.5 | 176.4 | 175.3 | 0 | 0 | 112.9 | P147 K168 | P147-E166 WeakPolarHBondContact O-CA 3.2Å; P147-E166 PolarHBondContact O-N 3.32Å; E166-K168 PolarHBondContact O-N 3.08Å |
| 167 | G | 91.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 46% | 0.464 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | -0.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M136 Y165 | M136-G167 VanDerWaalsContact CE-O 3.32Å; M136-G167 WeakPolarHBondContact CE-O 3.4Å; Y165-G167 PolarHBondContact O-N 2.85Å |
| 168 | K | 93.3 | Very high | 96.4 | Very high | 158 Ų | 158 | 41.8 Ų | 41.8 | 69% | 0.687 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 144.1 | 178.6 | -62.2 | -179.2 | -178.6 | 177 | 0 | 111.1 | Y164 Y165 E166 | Y164-K168 CarbonylContact C-O 3.5Å; Y164-K168 VanDerWaalsContact CA-O 3.22Å; Y164-K168 WeakPolarHBondContact CA-O 3.38Å; Y165-K168 PolarHBondContact N-O 3.45Å; Y165-K168 WeakPolarHBondContact O-CB 3.4Å; Y165-K168 PolarHBondContact O-N 2.83Å; E166-K168 PolarHBondContact O-N 3.08Å |
| 169 | M | 95.2 | Very high | 96.4 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 138 | 175.2 | -165.2 | 175.7 | 66.4 | 0 | 0 | 110.4 | V162 Y164 E171 V174 T397 | V162-M169 HydrophobicContact CG1-CG 3.66Å; V162-M169 HydrophobicContact CG1-SD 3.68Å; Y164-M169 HydrophobicContact CD1-CB 4Å; Y164-M169 HydrophobicContact CD1-CG 4.4Å; Y164-M169 HydrophobicContact CE1-CB 3.67Å; Y164-M169 HydrophobicContact CE1-CG 3.93Å; M169-E171 HydrophobicContact CE-CB 4.43Å; M169-E171 HydrophobicContact CE-CG 3.65Å; M169-E171 PolarHBondContact O-N 3.42Å; M169-V174 HydrophobicContact CE-CG2 4.03Å; M169-V174 HydrophobicContact CG-CG2 4.06Å; M169-V174 HydrophobicContact SD-CG2 3.68Å; M169-T397 WeakPolarHBondContact CE-O 3.44Å; M169-T397 WeakPolarHBondContact CE-OXT 3.4Å |
| 170 | V | 96.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | trans | -92 | 86.7 | 170.5 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | P163 Q172 G173 M310 | P163-V170 HydrophobicContact CB-CB 4.19Å; P163-V170 HydrophobicContact CG-CB 4.01Å; P163-V170 PolarHBondContact O-N 2.86Å; V170-Q172 VanDerWaalsContact C-N 3.34Å; V170-Q172 HydrophobicContact CG1-CG 4.34Å; V170-Q172 PolarHBondContact O-N 3.2Å; V170-G173 WeakPolarHBondContact O-CA 3.48Å; V170-G173 PolarHBondContact O-N 2.89Å; V170-M310 HydrophobicContact CG2-SD 4.1Å | ||
| 171 | E | 94.4 | Very high | 96.3 | Very high | 114 Ų | 114 | 40.5 Ų | 40.5 | 53% | 0.533 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -50 | -46.4 | -170.1 | -73.2 | 175.9 | -162.7 | 0 | 0 | 114.1 | M169 G173 V174 | M169-E171 HydrophobicContact CE-CB 4.43Å; M169-E171 HydrophobicContact CE-CG 3.65Å; M169-E171 PolarHBondContact O-N 3.42Å; E171-G173 PolarHBondContact O-N 2.88Å; E171-G173 VanDerWaalsContact O-N 3.16Å; E171-V174 WeakPolarHBondContact O-CB 3.36Å; E171-V174 WeakPolarHBondContact O-CG2 3.23Å; E171-V174 PolarHBondContact O-N 2.89Å; E171-V174 VanDerWaalsContact O-N 3.12Å |
| 172 | Q | 95.5 | Very high | 96.1 | Very high | 109 Ų | 109 | 44 Ų | 44 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -65.3 | -20.9 | -179.4 | 69.9 | -85.3 | 24.6 | 0 | 0 | 113.2 | V170 K305 | V170-Q172 VanDerWaalsContact C-N 3.34Å; V170-Q172 HydrophobicContact CG1-CG 4.34Å; V170-Q172 PolarHBondContact O-N 3.2Å; Q172-K305 WeakPolarHBondContact CG-O 3.49Å; Q172-K305 VanDerWaalsContact O-CB 3.28Å; Q172-K305 WeakPolarHBondContact O-CB 3.14Å; Q172-K305 WeakPolarHBondContact O-CG 3.48Å |
| 173 | G | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -88.4 | -3.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P163 V170 E171 V175 S301 | P163-G173 WeakPolarHBondContact CD-O 3.5Å; V170-G173 WeakPolarHBondContact O-CA 3.48Å; V170-G173 PolarHBondContact O-N 2.89Å; E171-G173 PolarHBondContact O-N 2.88Å; E171-G173 VanDerWaalsContact O-N 3.16Å; G173-V175 PolarHBondContact O-N 3.38Å; G173-S301 WeakPolarHBondContact O-CB 3.38Å; G173-S301 PolarHBondContact O-OG 3.33Å |
| 174 | V | 97.9 | Very high | 96 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | trans | -71.3 | 117.8 | 176.8 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | F106 Y160 V161 V162 M169 E171 | F106-V174 HydrophobicContact CE2-CB 4.15Å; F106-V174 HydrophobicContact CE2-CG1 3.68Å; F106-V174 HydrophobicContact CZ-CB 4.08Å; F106-V174 HydrophobicContact CZ-CG1 4.07Å; F106-V174 HydrophobicContact CZ-CG2 4.38Å; Y160-V174 HydrophobicContact CD1-CG1 4.23Å; V161-V174 WeakPolarHBondContact O-CA 3.35Å; V162-V174 HydrophobicContact CG1-CG2 4.14Å; V162-V174 HydrophobicContact CG2-CG1 4.31Å; M169-V174 HydrophobicContact CE-CG2 4.03Å; M169-V174 HydrophobicContact CG-CG2 4.06Å; M169-V174 HydrophobicContact SD-CG2 3.68Å; E171-V174 WeakPolarHBondContact O-CB 3.36Å; E171-V174 WeakPolarHBondContact O-CG2 3.23Å; E171-V174 PolarHBondContact O-N 2.89Å; E171-V174 VanDerWaalsContact O-N 3.12Å | ||
| 175 | V | 97.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 11% | 0.109 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.1 | 179 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | V161 G173 I297 Y300 | V161-V175 PolarHBondContact N-O 3.32Å; V161-V175 PolarHBondContact O-N 3.16Å; G173-V175 PolarHBondContact O-N 3.38Å; V175-I297 HydrophobicContact CG1-CB 3.79Å; V175-I297 HydrophobicContact CG1-CG2 3.88Å; V175-Y300 HydrophobicContact CG2-CD1 3.98Å; V175-Y300 HydrophobicContact CG2-CE1 4.34Å |
| 176 | R | 96.4 | Very high | 95.9 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.1 | 178.9 | 179.4 | -176.2 | 163.1 | 153.5 | -5.4 | 109.9 | K68 C158 Y160 D178 | K68-R176 PolarHBondContact O-NH1 3.2Å; K68-R176 PolarHBondContact O-NH2 3.26Å; C158-R176 HydrophobicContact CB-CG 4.29Å; Y160-R176 HydrophobicContact CD1-CB 3.93Å; Y160-R176 HydrophobicContact CD1-CG 4.29Å; Y160-R176 HydrophobicContact CE1-CB 3.65Å; Y160-R176 HydrophobicContact CE1-CG 3.85Å; Y160-R176 HydrophobicContact CE2-CG 4.48Å; Y160-R176 PolarHBondContact OH-NH1 2.99Å; R176-D178 IonicContact CZ-OD1 3.85Å; R176-D178 IonicContact NE-OD1 3.14Å; R176-D178 PolarHBondContact NE-OD1 2.95Å; R176-D178 IonicContact NH2-OD1 3.06Å; R176-D178 PolarHBondContact NH2-OD1 2.88Å |
| 177 | L | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.4 | 167.3 | 164.4 | 63.1 | 0 | 0 | 0 | 108.6 | C158 T159 V179 L281 P284 E291 M292 I297 | C158-L177 WeakPolarHBondContact CA-O 3.36Å; C158-L177 VanDerWaalsContact CB-O 3.3Å; C158-L177 WeakPolarHBondContact CB-O 3.41Å; T159-L177 PolarHBondContact N-O 2.9Å; T159-L177 PolarHBondContact O-N 3.24Å; L177-V179 HydrophobicContact CD1-CB 4.07Å; L177-V179 HydrophobicContact CD1-CG2 3.64Å; L177-V179 HydrophobicContact CD2-CB 4.11Å; L177-V179 HydrophobicContact CD2-CG2 4.44Å; L177-V179 HydrophobicContact CG-CB 3.81Å; L177-V179 HydrophobicContact CG-CG2 3.98Å; L177-V179 PolarHBondContact O-N 3.43Å; L177-L281 HydrophobicContact CD2-CD2 4.42Å; L177-P284 HydrophobicContact CD1-CG 3.76Å; L177-E291 HydrophobicContact CD1-CB 4.14Å; L177-E291 WeakPolarHBondContact CD1-OE2 3.48Å; L177-M292 WeakPolarHBondContact CD1-O 3.25Å; L177-I297 HydrophobicContact CB-CD1 3.73Å; L177-I297 HydrophobicContact CD2-CD1 4.37Å |
| 178 | D | 95.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 34% | 0.342 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -78.1 | 28.6 | -179.3 | -82.9 | -19.9 | 0 | 0 | 0 | 113.5 | R176 M289 E291 | R176-D178 IonicContact CZ-OD1 3.85Å; R176-D178 IonicContact NE-OD1 3.14Å; R176-D178 PolarHBondContact NE-OD1 2.95Å; R176-D178 IonicContact NH2-OD1 3.06Å; R176-D178 PolarHBondContact NH2-OD1 2.88Å; D178-M289 HydrophobicContact CB-CE 3.95Å; D178-E291 PolarHBondContact N-OE2 3.31Å |
| 179 | V | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -109.5 | 120.7 | 171.6 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | C158 T159 L177 M183 L280 L281 P284 M289 | C158-V179 CarbonylContact C-O 3.53Å; T159-V179 PolarHBondContact N-O 3.44Å; T159-V179 PolarHBondContact OG1-O 3.21Å; L177-V179 HydrophobicContact CD1-CB 4.07Å; L177-V179 HydrophobicContact CD1-CG2 3.64Å; L177-V179 HydrophobicContact CD2-CB 4.11Å; L177-V179 HydrophobicContact CD2-CG2 4.44Å; L177-V179 HydrophobicContact CG-CB 3.81Å; L177-V179 HydrophobicContact CG-CG2 3.98Å; L177-V179 PolarHBondContact O-N 3.43Å; V179-M183 HydrophobicContact CG1-SD 4.4Å; V179-M183 HydrophobicContact CG2-SD 4.05Å; V179-L280 HydrophobicContact CG1-CB 4.06Å; V179-L281 HydrophobicContact CB-CD2 4.39Å; V179-L281 HydrophobicContact CG1-CD2 3.97Å; V179-L281 HydrophobicContact CG1-CG 4.32Å; V179-P284 HydrophobicContact CG2-CB 4.1Å; V179-P284 HydrophobicContact CG2-CG 4.11Å; V179-M289 HydrophobicContact CG2-CE 3.92Å; V179-M289 HydrophobicContact CG2-SD 4.1Å | ||
| 180 | G | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -142.2 | -178.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G155 Y156 K182 M183 M184 | G155-G180 WeakPolarHBondContact O-CA 3.3Å; Y156-G180 CarbonylContact O-C 3.5Å; G180-K182 PolarHBondContact O-N 2.89Å; G180-K182 VanDerWaalsContact O-N 3.15Å; G180-M183 PolarHBondContact O-N 2.8Å; G180-M184 PolarHBondContact O-N 3.29Å | ||
| 181 | G | 96.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -31.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | G155 Y156 M183 M184 T185 N324 | G155-G181 PolarHBondContact O-N 2.9Å; Y156-G181 PolarHBondContact O-N 2.92Å; G181-M183 PolarHBondContact O-N 3.08Å; G181-M184 PolarHBondContact O-N 2.98Å; G181-T185 PolarHBondContact O-N 3.09Å; G181-T185 PolarHBondContact O-OG1 3.34Å; G181-N324 VanDerWaalsContact CA-OD1 3.3Å; G181-N324 WeakPolarHBondContact CA-OD1 3.25Å; G181-N324 PolarHBondContact N-ND2 2.99Å; G181-N324 PolarHBondContact N-OD1 2.89Å |
| 182 | K | 95.6 | Very high | 96.7 | Very high | 73 Ų | 73 | 34.3 Ų | 34.3 | 32% | 0.317 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 175.7 | -176.7 | 177.5 | 179.8 | 176.4 | 0 | 112.2 | Y156 G180 M184 T185 N186 | Y156-K182 HydrophobicContact CD1-CB 4.26Å; Y156-K182 HydrophobicContact CD2-CB 4.09Å; Y156-K182 HydrophobicContact CE1-CB 3.87Å; Y156-K182 HydrophobicContact CE1-CD 3.84Å; Y156-K182 HydrophobicContact CE1-CG 4.15Å; Y156-K182 HydrophobicContact CE2-CB 3.69Å; Y156-K182 HydrophobicContact CE2-CG 4.25Å; Y156-K182 HydrophobicContact CG-CB 4.35Å; Y156-K182 VanDerWaalsContact O-CB 3.31Å; Y156-K182 WeakPolarHBondContact O-CB 3.35Å; Y156-K182 PolarHBondContact O-N 2.82Å; G180-K182 PolarHBondContact O-N 2.89Å; G180-K182 VanDerWaalsContact O-N 3.15Å; K182-M184 VanDerWaalsContact C-N 3.35Å; K182-T185 PolarHBondContact O-N 2.96Å; K182-N186 WeakPolarHBondContact O-CB 3.38Å; K182-N186 PolarHBondContact O-N 2.94Å |
| 183 | M | 95.8 | Very high | 96.7 | Very high | 61 Ų | 61 | 30.3 Ų | 30.3 | 30% | 0.3 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.3 | -43.5 | -180 | -178.7 | 172.2 | -80.3 | 0 | 0 | 110.3 | V179 G180 G181 N186 R187 L280 M289 | V179-M183 HydrophobicContact CG1-SD 4.4Å; V179-M183 HydrophobicContact CG2-SD 4.05Å; G180-M183 PolarHBondContact O-N 2.8Å; G181-M183 PolarHBondContact O-N 3.08Å; M183-N186 PolarHBondContact O-N 3.27Å; M183-R187 WeakPolarHBondContact O-CB 3.42Å; M183-R187 PolarHBondContact O-N 3.06Å; M183-L280 HydrophobicContact CG-CD1 4.31Å; M183-M289 HydrophobicContact CE-CE 4.03Å; M183-M289 HydrophobicContact CE-SD 3.41Å; M183-M289 WeakPolarHBondContact CE-SD 3.49Å; M183-M289 HydrophobicContact SD-CE 4.43Å; M183-M289 HydrophobicContact SD-SD 3.5Å |
| 184 | M | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.7 | -64.8 | 177.6 | -171.8 | 0 | 0 | 112.1 | G180 G181 K182 N186 R187 L188 K210 V277 L281 L327 | G180-M184 PolarHBondContact O-N 3.29Å; G181-M184 PolarHBondContact O-N 2.98Å; K182-M184 VanDerWaalsContact C-N 3.35Å; M184-N186 VanDerWaalsContact C-N 3.33Å; M184-N186 PolarHBondContact O-N 2.81Å; M184-R187 PolarHBondContact O-N 3.49Å; M184-L188 WeakPolarHBondContact O-CB 3.33Å; M184-L188 PolarHBondContact O-N 3.48Å; M184-K210 HydrophobicContact CB-CD 3.83Å; M184-V277 HydrophobicContact CB-CG1 3.63Å; M184-V277 HydrophobicContact CG-CG1 4.09Å; M184-V277 VanDerWaalsContact O-CG1 3.29Å; M184-V277 WeakPolarHBondContact O-CG1 3.47Å; M184-L281 HydrophobicContact CE-CD1 3.43Å; M184-L281 VanDerWaalsContact CE-CD1 3.43Å; M184-L281 HydrophobicContact CE-CD2 4.03Å; M184-L281 HydrophobicContact CE-CG 3.33Å; M184-L327 HydrophobicContact CE-CD1 4.19Å; M184-L327 HydrophobicContact SD-CD1 4.1Å |
| 185 | T | 96.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.7 | -60.1 | 0 | 0 | 0 | 0 | 111 | G181 K182 R187 L188 K189 T203 M206 N207 K210 | G181-T185 PolarHBondContact O-N 3.09Å; G181-T185 PolarHBondContact O-OG1 3.34Å; K182-T185 PolarHBondContact O-N 2.96Å; T185-R187 PolarHBondContact O-N 3.01Å; T185-L188 PolarHBondContact O-N 2.86Å; T185-K189 HydrophobicContact CG2-CD 4.12Å; T185-K189 WeakPolarHBondContact O-CG 3.37Å; T185-K189 PolarHBondContact O-N 3.25Å; T185-T203 HydrophobicContact CG2-CG2 4.29Å; T185-M206 HydrophobicContact CG2-CB 4.39Å; T185-N207 HydrophobicContact CG2-CB 3.97Å; T185-N207 PolarHBondContact OG1-OD1 3.22Å; T185-K210 PolarHBondContact OG1-NZ 2.98Å |
| 186 | N | 95.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 32% | 0.316 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 176 | -76.9 | -15.3 | 0 | 0 | 0 | 112.2 | K182 M183 M184 L188 K189 E190 | K182-N186 WeakPolarHBondContact O-CB 3.38Å; K182-N186 PolarHBondContact O-N 2.94Å; M183-N186 PolarHBondContact O-N 3.27Å; M184-N186 VanDerWaalsContact C-N 3.33Å; M184-N186 PolarHBondContact O-N 2.81Å; N186-L188 PolarHBondContact O-N 3.48Å; N186-K189 WeakPolarHBondContact O-CB 3.33Å; N186-K189 PolarHBondContact O-N 2.86Å; N186-E190 WeakPolarHBondContact O-CG 3.22Å; N186-E190 PolarHBondContact O-N 3Å |
| 187 | R | 96.6 | Very high | 96.1 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63 | -43.2 | 177.7 | -176.6 | 61 | -177 | 149.3 | -0.1 | 111.9 | M183 M184 T185 K189 E190 I191 V277 L280 | M183-R187 WeakPolarHBondContact O-CB 3.42Å; M183-R187 PolarHBondContact O-N 3.06Å; M184-R187 PolarHBondContact O-N 3.49Å; T185-R187 PolarHBondContact O-N 3.01Å; R187-K189 VanDerWaalsContact C-N 3.34Å; R187-K189 PolarHBondContact O-N 3.02Å; R187-E190 IonicContact NH1-OE2 3Å; R187-E190 PolarHBondContact NH1-OE2 3.34Å; R187-E190 PolarHBondContact O-N 3.1Å; R187-I191 HydrophobicContact CG-CD1 4.08Å; R187-I191 WeakPolarHBondContact O-CG1 3.35Å; R187-I191 PolarHBondContact O-N 3.37Å; R187-I191 VanDerWaalsContact O-N 3.12Å; R187-V277 HydrophobicContact CB-CG1 4.32Å; R187-V277 HydrophobicContact CB-CG2 4.46Å; R187-V277 HydrophobicContact CG-CG2 3.98Å; R187-L280 HydrophobicContact CB-CD1 4.2Å; R187-L280 HydrophobicContact CG-CD1 4.22Å |
| 188 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.1 | -176 | 62.7 | 0 | 0 | 0 | 111.2 | M184 T185 N186 E190 I191 V192 M206 K210 L270 E273 | M184-L188 WeakPolarHBondContact O-CB 3.33Å; M184-L188 PolarHBondContact O-N 3.48Å; T185-L188 PolarHBondContact O-N 2.86Å; N186-L188 PolarHBondContact O-N 3.48Å; L188-E190 PolarHBondContact O-N 3.31Å; L188-I191 PolarHBondContact O-N 3.15Å; L188-V192 HydrophobicContact CD1-CG2 4.14Å; L188-V192 HydrophobicContact CG-CG2 4.4Å; L188-V192 WeakPolarHBondContact O-CB 3.37Å; L188-V192 WeakPolarHBondContact O-CG2 3.3Å; L188-V192 PolarHBondContact O-N 3.02Å; L188-M206 HydrophobicContact CD2-CE 3.72Å; L188-M206 HydrophobicContact CG-CE 3.67Å; L188-K210 HydrophobicContact CD2-CB 3.75Å; L188-L270 HydrophobicContact CD1-CD1 4.25Å; L188-E273 HydrophobicContact CD1-CB 4.07Å; L188-E273 HydrophobicContact CD1-CG 3.79Å |
| 189 | K | 96.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 51 Ų | 51 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 176 | -72.6 | 165.3 | 64 | -172.7 | 0 | 112.3 | T185 N186 R187 S193 V199 L200 T203 M206 | T185-K189 HydrophobicContact CG2-CD 4.12Å; T185-K189 WeakPolarHBondContact O-CG 3.37Å; T185-K189 PolarHBondContact O-N 3.25Å; N186-K189 WeakPolarHBondContact O-CB 3.33Å; N186-K189 PolarHBondContact O-N 2.86Å; R187-K189 VanDerWaalsContact C-N 3.34Å; R187-K189 PolarHBondContact O-N 3.02Å; K189-S193 WeakPolarHBondContact O-CB 3.47Å; K189-S193 PolarHBondContact O-N 2.93Å; K189-S193 PolarHBondContact O-OG 2.94Å; K189-V199 WeakPolarHBondContact CE-O 3.38Å; K189-L200 WeakPolarHBondContact CE-O 3.44Å; K189-L200 PolarHBondContact NZ-O 3.45Å; K189-T203 PolarHBondContact NZ-OG1 2.86Å; K189-M206 HydrophobicContact CD-CB 4.25Å; K189-M206 HydrophobicContact CG-CB 3.58Å; K189-M206 HydrophobicContact CG-CG 3.75Å |
| 190 | E | 96.6 | Very high | 95.3 | Very high | 99 Ų | 99 | 55 Ų | 55 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 177.4 | -72.9 | 170.5 | -175.9 | 0 | 0 | 111.5 | N186 R187 L188 S193 Y194 | N186-E190 WeakPolarHBondContact O-CG 3.22Å; N186-E190 PolarHBondContact O-N 3Å; R187-E190 IonicContact NH1-OE2 3Å; R187-E190 PolarHBondContact NH1-OE2 3.34Å; R187-E190 PolarHBondContact O-N 3.1Å; L188-E190 PolarHBondContact O-N 3.31Å; E190-S193 PolarHBondContact O-N 3.5Å; E190-Y194 VanDerWaalsContact O-CB 3.3Å; E190-Y194 WeakPolarHBondContact O-CB 3.45Å; E190-Y194 PolarHBondContact O-N 3.41Å |
| 191 | I | 96.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -48.6 | -178.6 | -66 | 166.9 | 0 | 0 | 0 | 110.8 | R187 L188 Y194 R195 E273 V277 | R187-I191 HydrophobicContact CG-CD1 4.08Å; R187-I191 WeakPolarHBondContact O-CG1 3.35Å; R187-I191 PolarHBondContact O-N 3.37Å; R187-I191 VanDerWaalsContact O-N 3.12Å; L188-I191 PolarHBondContact O-N 3.15Å; I191-Y194 PolarHBondContact O-N 2.81Å; I191-R195 WeakPolarHBondContact O-CB 3.5Å; I191-R195 VanDerWaalsContact O-CG 3.31Å; I191-R195 WeakPolarHBondContact O-CG 3.25Å; I191-R195 PolarHBondContact O-N 3.47Å; I191-R195 VanDerWaalsContact O-N 3.14Å; I191-E273 HydrophobicContact CD1-CB 4.11Å; I191-E273 HydrophobicContact CG2-CB 4.29Å; I191-V277 HydrophobicContact CD1-CG2 3.91Å |
| 192 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | -178.7 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L188 Y194 R195 Q196 V197 V199 M206 V268 L270 | L188-V192 HydrophobicContact CD1-CG2 4.14Å; L188-V192 HydrophobicContact CG-CG2 4.4Å; L188-V192 WeakPolarHBondContact O-CB 3.37Å; L188-V192 WeakPolarHBondContact O-CG2 3.3Å; L188-V192 PolarHBondContact O-N 3.02Å; V192-Y194 VanDerWaalsContact C-N 3.32Å; V192-Y194 PolarHBondContact O-N 2.89Å; V192-R195 PolarHBondContact O-N 3.22Å; V192-Q196 PolarHBondContact O-N 3.43Å; V192-V197 HydrophobicContact CG1-CG1 4.35Å; V192-V197 PolarHBondContact O-N 3.06Å; V192-V199 HydrophobicContact CB-CG2 3.84Å; V192-V199 HydrophobicContact CG1-CG1 4.37Å; V192-V199 HydrophobicContact CG1-CG2 3.61Å; V192-M206 HydrophobicContact CB-CE 4.31Å; V192-M206 HydrophobicContact CG1-CE 4.47Å; V192-M206 HydrophobicContact CG2-CE 3.9Å; V192-V268 HydrophobicContact CG1-CB 4.18Å; V192-V268 HydrophobicContact CG1-CG1 3.61Å; V192-L270 HydrophobicContact CG2-CD1 3.67Å |
| 193 | S | 96.6 | Very high | 94.2 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 179.7 | -57.2 | 0 | 0 | 0 | 0 | 113 | K189 E190 V197 V199 L200 | K189-S193 WeakPolarHBondContact O-CB 3.47Å; K189-S193 PolarHBondContact O-N 2.93Å; K189-S193 PolarHBondContact O-OG 2.94Å; E190-S193 PolarHBondContact O-N 3.5Å; S193-V197 VanDerWaalsContact CA-O 3.27Å; S193-V197 WeakPolarHBondContact CA-O 3.3Å; S193-V199 WeakPolarHBondContact OG-CG2 3.22Å; S193-V199 PolarHBondContact OG-N 3.47Å; S193-L200 WeakPolarHBondContact OG-CG 3.48Å; S193-L200 PolarHBondContact OG-N 2.96Å |
| 194 | Y | 96.1 | Very high | 93.7 | Very high | 210 Ų | 210 | 59.5 Ų | 59.5 | 82% | 0.824 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -73.5 | -36 | 177.3 | -177.9 | -103.3 | 0 | 0 | 0 | 112.7 | E190 I191 V192 | E190-Y194 VanDerWaalsContact O-CB 3.3Å; E190-Y194 WeakPolarHBondContact O-CB 3.45Å; E190-Y194 PolarHBondContact O-N 3.41Å; I191-Y194 PolarHBondContact O-N 2.81Å; V192-Y194 VanDerWaalsContact C-N 3.32Å; V192-Y194 PolarHBondContact O-N 2.89Å |
| 195 | R | 95 | Very high | 93.4 | Very high | 149 Ų | 149 | 60.1 Ų | 60.1 | 56% | 0.562 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -98.4 | -25 | -169.3 | -65.2 | 179.7 | 68.7 | 165.7 | 2.2 | 115 | I191 V192 | I191-R195 WeakPolarHBondContact O-CB 3.5Å; I191-R195 VanDerWaalsContact O-CG 3.31Å; I191-R195 WeakPolarHBondContact O-CG 3.25Å; I191-R195 PolarHBondContact O-N 3.47Å; I191-R195 VanDerWaalsContact O-N 3.14Å; V192-R195 PolarHBondContact O-N 3.22Å |
| 196 | Q | 93.8 | Very high | 93.2 | Very high | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | -80.7 | -165.1 | -63.7 | -180 | 67.9 | 0 | 0 | 112 | V192 T269 | V192-Q196 PolarHBondContact O-N 3.43Å; Q196-T269 PolarHBondContact NE2-O 3.27Å |
| 197 | V | 92 | Very high | 93.2 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -138.1 | 137.1 | -172.1 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | V192 S193 V199 V268 | V192-V197 HydrophobicContact CG1-CG1 4.35Å; V192-V197 PolarHBondContact O-N 3.06Å; S193-V197 VanDerWaalsContact CA-O 3.27Å; S193-V197 WeakPolarHBondContact CA-O 3.3Å; V197-V199 HydrophobicContact CG1-CG1 4Å; V197-V199 PolarHBondContact O-N 3.26Å; V197-V268 HydrophobicContact CG1-CG1 3.51Å |
| 198 | N | 91.8 | Very high | 93.1 | Very high | 111 Ų | 111 | 53.4 Ų | 53.4 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | trans | -68.1 | 104.9 | -177.1 | -175.3 | -1.1 | 0 | 0 | 0 | 111.1 | L200 | N198-L200 WeakPolarHBondContact OD1-CB 3.49Å; N198-L200 WeakPolarHBondContact OD1-CG 3.33Å; N198-L200 PolarHBondContact OD1-N 2.88Å | ||
| 199 | V | 91.6 | Very high | 93 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | trans | -115.8 | 18.7 | 179.1 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | K189 V192 S193 V197 N201 E202 M206 | K189-V199 WeakPolarHBondContact CE-O 3.38Å; V192-V199 HydrophobicContact CB-CG2 3.84Å; V192-V199 HydrophobicContact CG1-CG1 4.37Å; V192-V199 HydrophobicContact CG1-CG2 3.61Å; S193-V199 WeakPolarHBondContact OG-CG2 3.22Å; S193-V199 PolarHBondContact OG-N 3.47Å; V197-V199 HydrophobicContact CG1-CG1 4Å; V197-V199 PolarHBondContact O-N 3.26Å; V199-N201 PolarHBondContact O-N 3.03Å; V199-N201 VanDerWaalsContact O-N 3.13Å; V199-E202 HydrophobicContact CB-CB 4.18Å; V199-E202 PolarHBondContact O-N 3.42Å; V199-M206 HydrophobicContact CB-CG 3.86Å; V199-M206 HydrophobicContact CB-SD 4.07Å; V199-M206 HydrophobicContact CG1-SD 4.21Å; V199-M206 HydrophobicContact CG2-CE 4.4Å; V199-M206 HydrophobicContact CG2-CG 3.84Å; V199-M206 HydrophobicContact CG2-SD 3.9Å | ||
| 200 | L | 89.4 | Confident | 93.1 | Very high | 85 Ų | 85 | 53 Ų | 53 | 45% | 0.445 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28 | -176.2 | -70.3 | 178.3 | 0 | 0 | 0 | 113.2 | K189 S193 N198 | K189-L200 WeakPolarHBondContact CE-O 3.44Å; K189-L200 PolarHBondContact NZ-O 3.45Å; S193-L200 WeakPolarHBondContact OG-CG 3.48Å; S193-L200 PolarHBondContact OG-N 2.96Å; N198-L200 WeakPolarHBondContact OD1-CB 3.49Å; N198-L200 WeakPolarHBondContact OD1-CG 3.33Å; N198-L200 PolarHBondContact OD1-N 2.88Å |
| 201 | N | 87.5 | Confident | 93.1 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -9 | 176.8 | -63.5 | -38.4 | 0 | 0 | 0 | 113.3 | V199 T203 | V199-N201 PolarHBondContact O-N 3.03Å; V199-N201 VanDerWaalsContact O-N 3.13Å; N201-T203 VanDerWaalsContact C-N 3.28Å; N201-T203 PolarHBondContact O-N 3.37Å |
| 202 | E | 88.4 | Confident | 93.2 | Very high | 39 Ų | 39 | 55 Ų | 55 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -91.8 | 55 | -173.4 | -56.5 | -51.5 | 143.8 | 0 | 0 | 111.6 | T59 V199 Y204 I205 M206 | T59-E202 PolarHBondContact N-OE1 2.67Å; V199-E202 HydrophobicContact CB-CB 4.18Å; V199-E202 PolarHBondContact O-N 3.42Å; E202-Y204 PolarHBondContact O-N 3.31Å; E202-I205 HydrophobicContact CB-CB 4.41Å; E202-I205 HydrophobicContact CB-CD1 4.3Å; E202-M206 WeakPolarHBondContact O-CB 3.43Å; E202-M206 VanDerWaalsContact O-CG 3.31Å; E202-M206 WeakPolarHBondContact O-CG 3.42Å; E202-M206 PolarHBondContact O-N 2.92Å | ||
| 203 | T | 89 | Confident | 93.2 | Very high | 39 Ų | 39 | 55 Ų | 55 | 24% | 0.239 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | -171.8 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | T185 K189 N201 N207 | T185-T203 HydrophobicContact CG2-CG2 4.29Å; K189-T203 PolarHBondContact NZ-OG1 2.86Å; N201-T203 VanDerWaalsContact C-N 3.28Å; N201-T203 PolarHBondContact O-N 3.37Å; T203-N207 WeakPolarHBondContact O-CB 3.42Å; T203-N207 PolarHBondContact O-N 2.99Å |
| 204 | Y | 85.6 | Confident | 93.2 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -53.6 | -179.6 | -178.5 | -89.3 | 0 | 0 | 0 | 111.1 | Y62 E202 M206 N207 E208 | Y62-Y204 HydrophobicContact CE1-CD2 4.49Å; Y62-Y204 WeakPolarHBondContact OH-CB 3.27Å; E202-Y204 PolarHBondContact O-N 3.31Å; Y204-M206 VanDerWaalsContact C-N 3.27Å; Y204-M206 PolarHBondContact O-N 3.32Å; Y204-N207 WeakPolarHBondContact O-CB 3.45Å; Y204-N207 PolarHBondContact O-N 3.27Å; Y204-E208 HydrophobicContact CD1-CG 4.44Å; Y204-E208 VanDerWaalsContact CE1-CD 3.46Å; Y204-E208 HydrophobicContact CE1-CG 4.23Å; Y204-E208 WeakPolarHBondContact CE1-OE1 3.39Å; Y204-E208 WeakPolarHBondContact O-CG 3.15Å; Y204-E208 PolarHBondContact O-N 2.74Å |
| 205 | I | 90.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.1 | -42.7 | 178.7 | -60.3 | 171 | 0 | 0 | 0 | 110.9 | E202 N207 E208 C209 L242 P243 Y245 | E202-I205 HydrophobicContact CB-CB 4.41Å; E202-I205 HydrophobicContact CB-CD1 4.3Å; I205-N207 VanDerWaalsContact C-N 3.34Å; I205-N207 PolarHBondContact O-N 3.36Å; I205-E208 PolarHBondContact O-N 3.35Å; I205-C209 WeakPolarHBondContact O-CB 3.03Å; I205-C209 PolarHBondContact O-N 2.79Å; I205-L242 HydrophobicContact CG2-CD2 3.86Å; I205-P243 HydrophobicContact CD1-CG 3.83Å; I205-P243 HydrophobicContact CG1-CG 3.91Å; I205-P243 HydrophobicContact CG2-CG 4.16Å; I205-Y245 HydrophobicContact CD1-CE2 4.29Å |
| 206 | M | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.6 | -23.6 | -179.8 | -67 | -52 | -55.8 | 0 | 0 | 113.4 | T185 L188 K189 V192 V199 E202 Y204 C209 K210 | T185-M206 HydrophobicContact CG2-CB 4.39Å; L188-M206 HydrophobicContact CD2-CE 3.72Å; L188-M206 HydrophobicContact CG-CE 3.67Å; K189-M206 HydrophobicContact CD-CB 4.25Å; K189-M206 HydrophobicContact CG-CB 3.58Å; K189-M206 HydrophobicContact CG-CG 3.75Å; V192-M206 HydrophobicContact CB-CE 4.31Å; V192-M206 HydrophobicContact CG1-CE 4.47Å; V192-M206 HydrophobicContact CG2-CE 3.9Å; V199-M206 HydrophobicContact CB-CG 3.86Å; V199-M206 HydrophobicContact CB-SD 4.07Å; V199-M206 HydrophobicContact CG1-SD 4.21Å; V199-M206 HydrophobicContact CG2-CE 4.4Å; V199-M206 HydrophobicContact CG2-CG 3.84Å; V199-M206 HydrophobicContact CG2-SD 3.9Å; E202-M206 WeakPolarHBondContact O-CB 3.43Å; E202-M206 VanDerWaalsContact O-CG 3.31Å; E202-M206 WeakPolarHBondContact O-CG 3.42Å; E202-M206 PolarHBondContact O-N 2.92Å; Y204-M206 VanDerWaalsContact C-N 3.27Å; Y204-M206 PolarHBondContact O-N 3.32Å; M206-C209 HydrophobicContact CE-CB 4.23Å; M206-C209 HydrophobicContact SD-CB 4.41Å; M206-K210 WeakPolarHBondContact O-CB 2.96Å; M206-K210 PolarHBondContact O-N 3.39Å |
| 207 | N | 94.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.5 | -45.3 | 170.3 | -173.4 | 70.4 | 0 | 0 | 0 | 111 | Y16 T185 T203 Y204 I205 K210 E211 | Y16-N207 PolarHBondContact OH-ND2 2.76Å; T185-N207 HydrophobicContact CG2-CB 3.97Å; T185-N207 PolarHBondContact OG1-OD1 3.22Å; T203-N207 WeakPolarHBondContact O-CB 3.42Å; T203-N207 PolarHBondContact O-N 2.99Å; Y204-N207 WeakPolarHBondContact O-CB 3.45Å; Y204-N207 PolarHBondContact O-N 3.27Å; I205-N207 VanDerWaalsContact C-N 3.34Å; I205-N207 PolarHBondContact O-N 3.36Å; N207-K210 WeakPolarHBondContact O-CB 3.38Å; N207-K210 PolarHBondContact O-N 2.8Å; N207-K210 PolarHBondContact OD1-NZ 2.64Å; N207-E211 PolarHBondContact ND2-OE1 3.24Å; N207-E211 WeakPolarHBondContact O-CG 3.42Å; N207-E211 PolarHBondContact O-N 2.77Å |
| 208 | E | 94.2 | Very high | 93.9 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 174.6 | -61.2 | -175.1 | 129.9 | 0 | 0 | 111 | Y204 I205 K210 E211 D212 R250 | Y204-E208 HydrophobicContact CD1-CG 4.44Å; Y204-E208 VanDerWaalsContact CE1-CD 3.46Å; Y204-E208 HydrophobicContact CE1-CG 4.23Å; Y204-E208 WeakPolarHBondContact CE1-OE1 3.39Å; Y204-E208 WeakPolarHBondContact O-CG 3.15Å; Y204-E208 PolarHBondContact O-N 2.74Å; I205-E208 PolarHBondContact O-N 3.35Å; E208-K210 VanDerWaalsContact C-N 3.31Å; E208-K210 PolarHBondContact O-N 2.7Å; E208-E211 PolarHBondContact O-N 3.48Å; E208-E211 VanDerWaalsContact O-N 3.08Å; E208-D212 WeakPolarHBondContact O-CB 3.46Å; E208-D212 VanDerWaalsContact O-CG 3.27Å; E208-D212 PolarHBondContact O-N 3.3Å; E208-R250 IonicContact OE1-CZ 2.79Å; E208-R250 IonicContact OE1-NE 2.64Å; E208-R250 IonicContact OE1-NH1 3.23Å; E208-R250 PolarHBondContact OE1-NH1 3.44Å |
| 209 | C | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.9 | -48.5 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | I205 M206 E211 D212 V213 Y240 | I205-C209 WeakPolarHBondContact O-CB 3.03Å; I205-C209 PolarHBondContact O-N 2.79Å; M206-C209 HydrophobicContact CE-CB 4.23Å; M206-C209 HydrophobicContact SD-CB 4.41Å; C209-E211 PolarHBondContact O-N 2.6Å; C209-D212 PolarHBondContact O-N 2.99Å; C209-V213 WeakPolarHBondContact O-CG2 3.49Å; C209-V213 PolarHBondContact O-N 2.96Å; C209-Y240 HydrophobicContact CB-CD1 3.84Å; C209-Y240 HydrophobicContact CB-CE1 3.57Å; C209-Y240 HydrophobicContact CB-CE2 4.36Å; C209-Y240 HydrophobicContact CB-CG 4.33Å |
| 210 | K | 97.7 | Very high | 94.3 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.7 | -47.2 | 176.1 | 176.1 | -144.8 | 66.1 | -172.4 | 0 | 111.4 | M184 T185 L188 M206 N207 E208 D212 C214 | M184-K210 HydrophobicContact CB-CD 3.83Å; T185-K210 PolarHBondContact OG1-NZ 2.98Å; L188-K210 HydrophobicContact CD2-CB 3.75Å; M206-K210 WeakPolarHBondContact O-CB 2.96Å; M206-K210 PolarHBondContact O-N 3.39Å; N207-K210 WeakPolarHBondContact O-CB 3.38Å; N207-K210 PolarHBondContact O-N 2.8Å; N207-K210 PolarHBondContact OD1-NZ 2.64Å; E208-K210 VanDerWaalsContact C-N 3.31Å; E208-K210 PolarHBondContact O-N 2.7Å; K210-D212 VanDerWaalsContact C-N 3.29Å; K210-D212 PolarHBondContact O-N 3.13Å; K210-C214 HydrophobicContact CG-CB 4.23Å; K210-C214 WeakPolarHBondContact O-CB 3.23Å; K210-C214 PolarHBondContact O-N 3.43Å |
| 211 | E | 97.1 | Very high | 94.6 | Very high | 100 Ų | 100 | 37 Ų | 37 | 47% | 0.467 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.5 | -36.2 | 179.6 | -72.7 | 166.2 | -173.1 | 0 | 0 | 112.4 | N207 E208 C209 | N207-E211 PolarHBondContact ND2-OE1 3.24Å; N207-E211 WeakPolarHBondContact O-CG 3.42Å; N207-E211 PolarHBondContact O-N 2.77Å; E208-E211 PolarHBondContact O-N 3.48Å; E208-E211 VanDerWaalsContact O-N 3.08Å; C209-E211 PolarHBondContact O-N 2.6Å |
| 212 | D | 97.3 | Very high | 95.1 | Very high | 63 Ų | 63 | 33.6 Ų | 33.6 | 34% | 0.337 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -82 | -34.4 | -177.3 | -66.2 | -10.6 | 0 | 0 | 0 | 113.1 | E208 C209 K210 Y240 R250 V253 | E208-D212 WeakPolarHBondContact O-CB 3.46Å; E208-D212 VanDerWaalsContact O-CG 3.27Å; E208-D212 PolarHBondContact O-N 3.3Å; C209-D212 PolarHBondContact O-N 2.99Å; K210-D212 VanDerWaalsContact C-N 3.29Å; K210-D212 PolarHBondContact O-N 3.13Å; D212-Y240 HydrophobicContact CB-CE2 3.88Å; D212-Y240 WeakPolarHBondContact OD2-CE2 3.45Å; D212-Y240 PolarHBondContact OD2-OH 3.36Å; D212-R250 IonicContact OD1-CZ 2.7Å; D212-R250 IonicContact OD1-NH2 3.73Å; D212-R250 PolarHBondContact OD1-NH2 3.41Å; D212-R250 IonicContact OD2-CZ 2.74Å; D212-R250 IonicContact OD2-NE 3.67Å; D212-R250 IonicContact OD2-NH2 2.6Å; D212-R250 PolarHBondContact OD2-NH2 2.92Å; D212-V253 HydrophobicContact CB-CG2 3.93Å |
| 213 | V | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -106.7 | -26.5 | -172.2 | -54.8 | 0 | 0 | 0 | 0 | 115.2 | C209 Y240 V253 L270 R274 | C209-V213 WeakPolarHBondContact O-CG2 3.49Å; C209-V213 PolarHBondContact O-N 2.96Å; V213-Y240 HydrophobicContact CG1-CD2 3.81Å; V213-Y240 HydrophobicContact CG1-CG 4.4Å; V213-V253 HydrophobicContact CG1-CG2 3.8Å; V213-L270 HydrophobicContact CG2-CB 4.41Å; V213-L270 HydrophobicContact CG2-CD2 4.42Å; V213-L270 HydrophobicContact CG2-CG 4.08Å; V213-R274 HydrophobicContact CB-CG 4.36Å; V213-R274 HydrophobicContact CG2-CG 4.18Å; V213-R274 VanDerWaalsContact O-CZ 3.28Å; V213-R274 PolarHBondContact O-NE 3.46Å; V213-R274 PolarHBondContact O-NH2 2.95Å |
| 214 | C | 98.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | trans | -84.6 | 151.6 | -171.6 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | K210 R274 P278 L327 | K210-C214 HydrophobicContact CG-CB 4.23Å; K210-C214 WeakPolarHBondContact O-CB 3.23Å; K210-C214 PolarHBondContact O-N 3.43Å; C214-R274 CarbonylContact C-O 3.52Å; C214-R274 WeakPolarHBondContact CA-O 3.4Å; C214-R274 WeakPolarHBondContact CB-O 3.4Å; C214-P278 HydrophobicContact CB-CG 3.72Å; C214-L327 HydrophobicContact CB-CD2 4Å | ||
| 215 | Y | 98.5 | Very high | 96.5 | Very high | 36 Ų | 36 | 40.1 Ų | 40.1 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | trans | -154.8 | 159.5 | 178.2 | 63.1 | -83.5 | 0 | 0 | 0 | 110.3 | I236 R274 F275 P278 | Y215-I236 WeakPolarHBondContact OH-CD1 3.46Å; Y215-R274 HydrophobicContact CD1-CB 4.25Å; Y215-R274 HydrophobicContact CE1-CB 3.81Å; Y215-R274 PolarHBondContact N-O 3.04Å; Y215-F275 HydrophobicContact CD2-CB 4.39Å; Y215-F275 HydrophobicContact CE1-CB 4.38Å; Y215-F275 HydrophobicContact CE2-CB 3.87Å; Y215-F275 WeakPolarHBondContact O-CA 3.43Å; Y215-F275 WeakPolarHBondContact OH-CD1 3.11Å; Y215-P278 WeakPolarHBondContact O-CG 3.4Å | ||
| 216 | V | 98.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | trans | -86.6 | 121.1 | 174.6 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | P278 F282 L327 K328 I330 R333 | V216-P278 HydrophobicContact CG2-CB 3.98Å; V216-F282 HydrophobicContact CB-CE2 4.48Å; V216-F282 HydrophobicContact CG1-CD2 4.26Å; V216-F282 HydrophobicContact CG1-CE2 3.5Å; V216-F282 HydrophobicContact CG1-CZ 4.08Å; V216-F282 HydrophobicContact CG2-CE2 4.09Å; V216-L327 HydrophobicContact CG2-CB 3.99Å; V216-L327 HydrophobicContact CG2-CD1 4.3Å; V216-K328 PolarHBondContact N-O 3.16Å; V216-I330 HydrophobicContact CB-CB 4.42Å; V216-I330 HydrophobicContact CG2-CB 3.92Å; V216-I330 HydrophobicContact CG2-CG1 4.2Å; V216-R333 HydrophobicContact CG1-CB 3.41Å; V216-R333 VanDerWaalsContact CG1-CB 3.41Å; V216-R333 HydrophobicContact CG1-CG 3.49Å; V216-R333 VanDerWaalsContact CG1-CG 3.49Å | ||
| 217 | S | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | trans | -67.3 | 138.5 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | N219 F220 D223 R333 | S217-N219 PolarHBondContact OG-N 2.88Å; S217-N219 PolarHBondContact OG-O 3.36Å; S217-F220 WeakPolarHBondContact OG-CA 3.47Å; S217-F220 PolarHBondContact OG-N 3.11Å; S217-D223 WeakPolarHBondContact CB-OD2 3.31Å; S217-D223 VanDerWaalsContact OG-CG 3.3Å; S217-D223 PolarHBondContact OG-OD2 3.03Å; S217-R333 VanDerWaalsContact O-CD 3.32Å; S217-R333 WeakPolarHBondContact O-CD 3.31Å; S217-R333 PolarHBondContact O-NH1 3.2Å | ||
| 218 | E | 95.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -84 | -26.9 | 169.5 | -64.1 | 179.5 | -163.3 | 0 | 0 | 112.3 | K332 | E218-K332 VanDerWaalsContact CD-NZ 3.3Å; E218-K332 HydrophobicContact CG-CD 4.47Å; E218-K332 WeakPolarHBondContact OE1-CD 3.41Å; E218-K332 IonicContact OE1-NZ 3.31Å; E218-K332 PolarHBondContact OE1-NZ 3.44Å; E218-K332 WeakPolarHBondContact OE2-CE 3.43Å; E218-K332 IonicContact OE2-NZ 2.62Å; E218-K332 PolarHBondContact OE2-NZ 3.11Å |
| 219 | N | 95.8 | Very high | 97.2 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | trans | -141.3 | 91.1 | 178.1 | -175.6 | -27.4 | 0 | 0 | 0 | 108.9 | S217 A221 A222 D223 | S217-N219 PolarHBondContact OG-N 2.88Å; S217-N219 PolarHBondContact OG-O 3.36Å; N219-A221 VanDerWaalsContact C-N 3.26Å; N219-A221 PolarHBondContact O-N 3.19Å; N219-A221 PolarHBondContact OD1-N 3.4Å; N219-A222 HydrophobicContact CB-CB 3.97Å; N219-A222 PolarHBondContact O-N 2.98Å; N219-A222 PolarHBondContact OD1-N 2.86Å; N219-D223 PolarHBondContact O-N 2.97Å | ||
| 220 | F | 95.6 | Very high | 97 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.6 | -41.2 | -175.1 | -170.7 | -89.7 | 0 | 0 | 0 | 112.5 | S217 A222 D223 M224 F275 E279 M286 | S217-F220 WeakPolarHBondContact OG-CA 3.47Å; S217-F220 PolarHBondContact OG-N 3.11Å; F220-A222 PolarHBondContact O-N 3.08Å; F220-D223 PolarHBondContact O-N 3.38Å; F220-M224 HydrophobicContact CD1-CG 3.79Å; F220-M224 HydrophobicContact CE1-CG 3.48Å; F220-M224 VanDerWaalsContact CE1-CG 3.48Å; F220-M224 HydrophobicContact CE1-SD 4.06Å; F220-M224 HydrophobicContact CZ-CG 4.06Å; F220-M224 HydrophobicContact CZ-SD 4.12Å; F220-M224 WeakPolarHBondContact O-CB 3.37Å; F220-M224 VanDerWaalsContact O-CG 3.24Å; F220-M224 WeakPolarHBondContact O-CG 3.3Å; F220-M224 PolarHBondContact O-N 2.92Å; F220-F275 AromaticContact CD2-CD2 3.88Å; F220-F275 HydrophobicContact CD2-CD2 3.88Å; F220-F275 HydrophobicContact CD2-CE2 4.06Å; F220-F275 AromaticContact CE2-CD2 3.76Å; F220-F275 HydrophobicContact CE2-CD2 3.76Å; F220-F275 AromaticContact CE2-CE2 3.81Å; F220-F275 HydrophobicContact CE2-CE2 3.81Å; F220-F275 HydrophobicContact CZ-CE2 4.15Å; F220-E279 HydrophobicContact CD2-CB 4.38Å; F220-E279 HydrophobicContact CD2-CG 3.85Å; F220-E279 HydrophobicContact CE2-CB 4Å; F220-E279 HydrophobicContact CE2-CG 3.69Å; F220-M286 HydrophobicContact CZ-CE 4.27Å |
| 221 | A | 96.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | N219 R225 | N219-A221 VanDerWaalsContact C-N 3.26Å; N219-A221 PolarHBondContact O-N 3.19Å; N219-A221 PolarHBondContact OD1-N 3.4Å; A221-R225 WeakPolarHBondContact O-CG 3.14Å; A221-R225 PolarHBondContact O-N 3.3Å; A221-R225 VanDerWaalsContact O-N 3.17Å |
| 222 | A | 97.2 | Very high | 96 | Very high | 37 Ų | 37 | 63 Ų | 63 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.4 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N219 F220 M224 R225 E226 | N219-A222 HydrophobicContact CB-CB 3.97Å; N219-A222 PolarHBondContact O-N 2.98Å; N219-A222 PolarHBondContact OD1-N 2.86Å; F220-A222 PolarHBondContact O-N 3.08Å; A222-M224 VanDerWaalsContact C-N 3.29Å; A222-M224 PolarHBondContact O-N 3.34Å; A222-R225 PolarHBondContact O-N 2.83Å; A222-R225 VanDerWaalsContact O-N 3.14Å; A222-E226 PolarHBondContact O-N 3.42Å |
| 223 | D | 97.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -34 | 178.4 | -72.7 | -9.5 | 0 | 0 | 0 | 111.7 | S217 N219 F220 E226 S227 F275 | S217-D223 WeakPolarHBondContact CB-OD2 3.31Å; S217-D223 VanDerWaalsContact OG-CG 3.3Å; S217-D223 PolarHBondContact OG-OD2 3.03Å; N219-D223 PolarHBondContact O-N 2.97Å; F220-D223 PolarHBondContact O-N 3.38Å; D223-E226 PolarHBondContact O-N 3.35Å; D223-S227 WeakPolarHBondContact O-CB 3.09Å; D223-S227 PolarHBondContact O-N 3.48Å; D223-F275 HydrophobicContact CB-CD1 4.05Å; D223-F275 HydrophobicContact CB-CD2 4.18Å; D223-F275 HydrophobicContact CB-CE1 3.8Å; D223-F275 HydrophobicContact CB-CE2 3.98Å; D223-F275 HydrophobicContact CB-CG 4.23Å; D223-F275 HydrophobicContact CB-CZ 3.79Å |
| 224 | M | 97.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 65.7 Ų | 65.7 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 170.6 | -78.2 | -61.2 | -63.2 | 0 | 0 | 112.2 | F220 A222 E226 S227 Q228 N272 F275 | F220-M224 HydrophobicContact CD1-CG 3.79Å; F220-M224 HydrophobicContact CE1-CG 3.48Å; F220-M224 VanDerWaalsContact CE1-CG 3.48Å; F220-M224 HydrophobicContact CE1-SD 4.06Å; F220-M224 HydrophobicContact CZ-CG 4.06Å; F220-M224 HydrophobicContact CZ-SD 4.12Å; F220-M224 WeakPolarHBondContact O-CB 3.37Å; F220-M224 VanDerWaalsContact O-CG 3.24Å; F220-M224 WeakPolarHBondContact O-CG 3.3Å; F220-M224 PolarHBondContact O-N 2.92Å; A222-M224 VanDerWaalsContact C-N 3.29Å; A222-M224 PolarHBondContact O-N 3.34Å; M224-E226 VanDerWaalsContact C-N 3.35Å; M224-E226 PolarHBondContact O-N 3.39Å; M224-S227 PolarHBondContact O-N 3.15Å; M224-S227 PolarHBondContact O-OG 3.48Å; M224-Q228 WeakPolarHBondContact O-CG 3.33Å; M224-Q228 PolarHBondContact O-N 3.45Å; M224-N272 HydrophobicContact SD-CB 4.17Å; M224-F275 HydrophobicContact CG-CE2 3.86Å; M224-F275 HydrophobicContact CG-CZ 4.03Å; M224-F275 HydrophobicContact SD-CE2 3.66Å; M224-F275 HydrophobicContact SD-CZ 3.63Å |
| 225 | R | 97.8 | Very high | 95.3 | Very high | 173 Ų | 173 | 68.5 Ų | 68.5 | 65% | 0.653 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 176 | -68.1 | 175.9 | -151.9 | 150.7 | 3.9 | 111.8 | A221 A222 S227 Q228 | A221-R225 WeakPolarHBondContact O-CG 3.14Å; A221-R225 PolarHBondContact O-N 3.3Å; A221-R225 VanDerWaalsContact O-N 3.17Å; A222-R225 PolarHBondContact O-N 2.83Å; A222-R225 VanDerWaalsContact O-N 3.14Å; R225-S227 VanDerWaalsContact C-N 3.33Å; R225-Q228 PolarHBondContact O-N 2.81Å |
| 226 | E | 97.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 67.3 Ų | 67.3 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.4 | -173 | 62.3 | -146.7 | 0 | 0 | 111.3 | A222 D223 M224 Q228 K229 S235 I236 | A222-E226 PolarHBondContact O-N 3.42Å; D223-E226 PolarHBondContact O-N 3.35Å; M224-E226 VanDerWaalsContact C-N 3.35Å; M224-E226 PolarHBondContact O-N 3.39Å; E226-Q228 PolarHBondContact O-N 2.94Å; E226-K229 WeakPolarHBondContact O-CB 3.44Å; E226-K229 PolarHBondContact O-N 3.11Å; E226-K229 VanDerWaalsContact O-N 3.11Å; E226-K229 IonicContact OE1-NZ 3.67Å; E226-K229 WeakPolarHBondContact OE2-CE 3.38Å; E226-K229 IonicContact OE2-NZ 2.62Å; E226-K229 PolarHBondContact OE2-NZ 3.12Å; E226-S235 VanDerWaalsContact CG-OG 3.31Å; E226-S235 WeakPolarHBondContact CG-OG 3.31Å; E226-S235 PolarHBondContact OE1-N 3.42Å; E226-S235 PolarHBondContact OE1-OG 2.93Å; E226-I236 HydrophobicContact CB-CD1 4.44Å; E226-I236 HydrophobicContact CB-CG1 4.01Å; E226-I236 HydrophobicContact CG-CD1 4Å; E226-I236 HydrophobicContact CG-CG1 3.73Å |
| 227 | S | 96.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -20.1 | 179.4 | 80 | 0 | 0 | 0 | 0 | 114 | D223 M224 R225 N234 N271 | D223-S227 WeakPolarHBondContact O-CB 3.09Å; D223-S227 PolarHBondContact O-N 3.48Å; M224-S227 PolarHBondContact O-N 3.15Å; M224-S227 PolarHBondContact O-OG 3.48Å; R225-S227 VanDerWaalsContact C-N 3.33Å; S227-N234 PolarHBondContact O-ND2 3.06Å; S227-N271 WeakPolarHBondContact CA-OD1 3.29Å; S227-N271 WeakPolarHBondContact CB-OD1 3.31Å; S227-N271 PolarHBondContact O-ND2 3.49Å |
| 228 | Q | 96.7 | Very high | 95 | Very high | 145 Ų | 145 | 72.6 Ų | 72.6 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.4 | 178.3 | -70.8 | 170.4 | -10 | 0 | 0 | 113.1 | M224 R225 E226 | M224-Q228 WeakPolarHBondContact O-CG 3.33Å; M224-Q228 PolarHBondContact O-N 3.45Å; R225-Q228 PolarHBondContact O-N 2.81Å; E226-Q228 PolarHBondContact O-N 2.94Å |
| 229 | K | 96.5 | Very high | 95 | Very high | 98 Ų | 98 | 70.1 Ų | 70.1 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -65.9 | 154.6 | 177.3 | -68.1 | -179.4 | -179.2 | 173.3 | 0 | 111.4 | E226 N233 N234 | E226-K229 WeakPolarHBondContact O-CB 3.44Å; E226-K229 PolarHBondContact O-N 3.11Å; E226-K229 VanDerWaalsContact O-N 3.11Å; E226-K229 IonicContact OE1-NZ 3.67Å; E226-K229 WeakPolarHBondContact OE2-CE 3.38Å; E226-K229 IonicContact OE2-NZ 2.62Å; E226-K229 PolarHBondContact OE2-NZ 3.12Å; K229-N233 WeakPolarHBondContact CD-O 3.4Å; K229-N234 HydrophobicContact CB-CB 4.27Å; K229-N234 PolarHBondContact O-ND2 3.4Å |
| 230 | P | 93.3 | Very high | 95 | Very high | 95 Ų | 95 | 65.7 Ų | 65.7 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | trans | -55 | 147 | 171.5 | -23.8 | 33.6 | 0 | 0 | 0 | 111.7 | A232 N233 N234 | P230-A232 PolarHBondContact O-N 2.9Å; P230-N233 CarbonylContact O-C 3.52Å; P230-N233 PolarHBondContact O-N 3.25Å; P230-N234 WeakPolarHBondContact O-CB 3.5Å; P230-N234 PolarHBondContact O-N 3.28Å; P230-N234 VanDerWaalsContact O-N 3.11Å | ||
| 231 | K | 86.8 | Confident | 95 | Very high | 137 Ų | 137 | 63.6 Ų | 63.6 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -48.1 | -38.2 | -174.4 | -172.9 | 177.4 | 179.2 | 179.5 | 0 | 113.8 | N233 N234 | K231-N233 PolarHBondContact O-N 2.76Å; K231-N234 PolarHBondContact O-N 2.91Å |
| 232 | A | 86.7 | Confident | 94.8 | Very high | 95 Ų | 95 | 62 Ų | 62 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -62 | -29.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | P230 | P230-A232 PolarHBondContact O-N 2.9Š|
| 233 | N | 91.6 | Very high | 94.5 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -116.2 | 9.5 | -175.3 | -65.5 | -19 | 0 | 0 | 0 | 112.9 | K229 P230 K231 | K229-N233 WeakPolarHBondContact CD-O 3.4Å; P230-N233 CarbonylContact O-C 3.52Å; P230-N233 PolarHBondContact O-N 3.25Å; K231-N233 PolarHBondContact O-N 2.76Å |
| 234 | N | 92.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.059 | 32% | 0.319 | C | S | . | . | trans | -97.5 | 103.6 | -175.9 | -179.2 | -36.2 | 0 | 0 | 0 | 109.5 | S227 K229 P230 K231 I236 T237 N271 | S227-N234 PolarHBondContact O-ND2 3.06Å; K229-N234 HydrophobicContact CB-CB 4.27Å; K229-N234 PolarHBondContact O-ND2 3.4Å; P230-N234 WeakPolarHBondContact O-CB 3.5Å; P230-N234 PolarHBondContact O-N 3.28Å; P230-N234 VanDerWaalsContact O-N 3.11Å; K231-N234 PolarHBondContact O-N 2.91Å; N234-I236 PolarHBondContact O-N 2.97Å; N234-I236 WeakPolarHBondContact OD1-CA 3.32Å; N234-I236 WeakPolarHBondContact OD1-CB 3.42Å; N234-I236 PolarHBondContact OD1-N 3.5Å; N234-T237 VanDerWaalsContact CG-OG1 3.25Å; N234-T237 PolarHBondContact ND2-OG1 3.02Å; N234-T237 VanDerWaalsContact ND2-OG1 3.15Å; N234-T237 PolarHBondContact OD1-N 3.27Å; N234-T237 PolarHBondContact OD1-OG1 3.01Å; N234-N271 PolarHBondContact ND2-OD1 2.97Å | ||
| 235 | S | 93.6 | Very high | 93 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -74.6 | -11.3 | -179.2 | 65.5 | 0 | 0 | 0 | 0 | 114 | E226 R238 | E226-S235 VanDerWaalsContact CG-OG 3.31Å; E226-S235 WeakPolarHBondContact CG-OG 3.31Å; E226-S235 PolarHBondContact OE1-N 3.42Å; E226-S235 PolarHBondContact OE1-OG 2.93Å; S235-R238 PolarHBondContact O-NH1 3.4Å; S235-R238 PolarHBondContact O-NH2 2.98Å |
| 236 | I | 96.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -83.8 | -38.5 | 179.1 | -56.7 | -39.4 | 0 | 0 | 0 | 111.8 | Y215 E226 N234 R238 N271 R274 F275 | Y215-I236 WeakPolarHBondContact OH-CD1 3.46Å; E226-I236 HydrophobicContact CB-CD1 4.44Å; E226-I236 HydrophobicContact CB-CG1 4.01Å; E226-I236 HydrophobicContact CG-CD1 4Å; E226-I236 HydrophobicContact CG-CG1 3.73Å; N234-I236 PolarHBondContact O-N 2.97Å; N234-I236 WeakPolarHBondContact OD1-CA 3.32Å; N234-I236 WeakPolarHBondContact OD1-CB 3.42Å; N234-I236 PolarHBondContact OD1-N 3.5Å; I236-R238 PolarHBondContact O-N 2.76Å; I236-N271 VanDerWaalsContact CG2-O 3.23Å; I236-N271 WeakPolarHBondContact CG2-O 3.4Å; I236-R274 VanDerWaalsContact O-CD 3.3Å; I236-R274 WeakPolarHBondContact O-CD 3.38Å; I236-R274 PolarHBondContact O-NH1 3.13Å; I236-F275 HydrophobicContact CG1-CE1 4.39Å; I236-F275 HydrophobicContact CG2-CD1 4.03Å; I236-F275 HydrophobicContact CG2-CE1 3.9Å |
| 237 | T | 96.2 | Very high | 91.5 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | trans | -62 | 130.5 | -174 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | N234 T269 L270 N271 | N234-T237 VanDerWaalsContact CG-OG1 3.25Å; N234-T237 PolarHBondContact ND2-OG1 3.02Å; N234-T237 VanDerWaalsContact ND2-OG1 3.15Å; N234-T237 PolarHBondContact OD1-N 3.27Å; N234-T237 PolarHBondContact OD1-OG1 3.01Å; T237-T269 HydrophobicContact CG2-CG2 3.57Å; T237-L270 CarbonylContact C-O 3.32Å; T237-L270 WeakPolarHBondContact CA-O 3.46Å; T237-N271 PolarHBondContact OG1-OD1 2.75Å | ||
| 238 | R | 95.5 | Very high | 90.9 | Very high | 90 Ų | 90 | 63.5 Ų | 63.5 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.4 | 173.2 | -69.3 | -65.3 | 179 | -78.2 | -5.1 | 110 | S235 I236 V253 T269 L270 | S235-R238 PolarHBondContact O-NH1 3.4Å; S235-R238 PolarHBondContact O-NH2 2.98Å; I236-R238 PolarHBondContact O-N 2.76Å; R238-V253 HydrophobicContact CB-CG1 4.17Å; R238-V253 HydrophobicContact CG-CG1 4.23Å; R238-T269 CarbonylContact O-C 3.51Å; R238-T269 WeakPolarHBondContact O-CA 3.4Å; R238-L270 PolarHBondContact N-O 3.11Å; R238-L270 PolarHBondContact O-N 3.3Å |
| 239 | Q | 95.5 | Very high | 90.3 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.2 | 166.8 | -70.4 | 172 | -54.3 | 0 | 0 | 107.5 | C254 Y267 V268 T269 | Q239-C254 HydrophobicContact CB-CB 4.08Å; Q239-C254 PolarHBondContact O-N 2.64Å; Q239-Y267 HydrophobicContact CB-CD2 4.23Å; Q239-Y267 HydrophobicContact CG-CD2 4.05Å; Q239-Y267 HydrophobicContact CG-CE2 4.17Å; Q239-Y267 VanDerWaalsContact NE2-CE2 3.25Å; Q239-V268 CarbonylContact C-O 3.49Å; Q239-V268 WeakPolarHBondContact CA-O 3.32Å; Q239-T269 HydrophobicContact CG-CG2 4.42Å |
| 240 | Y | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 112.9 | 175.8 | -175 | -95 | 0 | 0 | 0 | 108 | C209 D212 V213 L242 G251 Q252 V253 Y267 V268 | C209-Y240 HydrophobicContact CB-CD1 3.84Å; C209-Y240 HydrophobicContact CB-CE1 3.57Å; C209-Y240 HydrophobicContact CB-CE2 4.36Å; C209-Y240 HydrophobicContact CB-CG 4.33Å; D212-Y240 HydrophobicContact CB-CE2 3.88Å; D212-Y240 WeakPolarHBondContact OD2-CE2 3.45Å; D212-Y240 PolarHBondContact OD2-OH 3.36Å; V213-Y240 HydrophobicContact CG1-CD2 3.81Å; V213-Y240 HydrophobicContact CG1-CG 4.4Å; Y240-L242 HydrophobicContact CD1-CD2 3.99Å; Y240-L242 HydrophobicContact CE1-CD2 4.24Å; Y240-G251 VanDerWaalsContact OH-CA 3.3Å; Y240-G251 WeakPolarHBondContact OH-CA 2.96Å; Y240-Q252 CarbonylContact C-O 3.51Å; Y240-Q252 WeakPolarHBondContact CA-O 3.36Å; Y240-V253 HydrophobicContact CD2-CG2 3.99Å; Y240-V253 HydrophobicContact CE2-CG2 4.34Å; Y240-Y267 CarbonylContact O-C 3.59Å; Y240-Y267 VanDerWaalsContact O-CA 3.23Å; Y240-Y267 WeakPolarHBondContact O-CA 3.33Å; Y240-Y267 WeakPolarHBondContact O-CB 3.31Å; Y240-V268 HydrophobicContact CD1-CG2 4.31Å; Y240-V268 PolarHBondContact N-O 3.45Å; Y240-V268 PolarHBondContact O-N 3Å |
| 241 | L | 95.1 | Very high | 90 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123.3 | 179.5 | -175.3 | 54.3 | 0 | 0 | 0 | 109 | R248 G251 Q252 L261 D265 Q266 | L241-R248 VanDerWaalsContact CD2-NH2 3.28Å; L241-R248 VanDerWaalsContact CG-CZ 3.47Å; L241-G251 CarbonylContact O-C 3.48Å; L241-G251 WeakPolarHBondContact O-CA 3.41Å; L241-Q252 PolarHBondContact N-O 3.26Å; L241-Q252 PolarHBondContact O-N 3.1Å; L241-L261 HydrophobicContact CD1-CD2 3.88Å; L241-L261 HydrophobicContact CD2-CD2 4.02Å; L241-L261 HydrophobicContact CG-CD2 4.44Å; L241-D265 HydrophobicContact CD1-CB 3.74Å; L241-Q266 WeakPolarHBondContact CD1-O 3.36Å |
| 242 | L | 93.2 | Very high | 90.3 | Very high | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 152.5 | -179.3 | -59.4 | 178.9 | 0 | 0 | 0 | 110.5 | I205 Y240 R248 Q266 V268 | I205-L242 HydrophobicContact CG2-CD2 3.86Å; Y240-L242 HydrophobicContact CD1-CD2 3.99Å; Y240-L242 HydrophobicContact CE1-CD2 4.24Å; L242-R248 PolarHBondContact O-NH1 3.37Å; L242-Q266 HydrophobicContact CB-CB 4.37Å; L242-Q266 VanDerWaalsContact CB-O 3.31Å; L242-Q266 WeakPolarHBondContact CB-O 2.92Å; L242-Q266 HydrophobicContact CD1-CB 4.29Å; L242-Q266 PolarHBondContact N-O 3.13Å; L242-V268 HydrophobicContact CD1-CG1 4.24Å; L242-V268 HydrophobicContact CD2-CG1 4.5Å; L242-V268 HydrophobicContact CD2-CG2 4.19Å |
| 243 | P | 90.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 141.2 | 172.8 | 27 | -32.9 | 0 | 0 | 0 | 111.1 | I205 Y245 R248 | I205-P243 HydrophobicContact CD1-CG 3.83Å; I205-P243 HydrophobicContact CG1-CG 3.91Å; I205-P243 HydrophobicContact CG2-CG 4.16Å; P243-Y245 HydrophobicContact CB-CD2 4.49Å; P243-Y245 HydrophobicContact CB-CE1 4.2Å; P243-Y245 HydrophobicContact CB-CE2 4.05Å; P243-Y245 HydrophobicContact CG-CE2 3.94Å; P243-R248 WeakPolarHBondContact CA-O 3.43Å; P243-R248 VanDerWaalsContact CB-O 3.28Å; P243-R248 WeakPolarHBondContact CB-O 3.5Å |
| 244 | D | 86.4 | Confident | 90.8 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | trans | -102.8 | -11.4 | 175.3 | 68.5 | 6.2 | 0 | 0 | 0 | 112.6 | I246 S247 R248 | D244-I246 PolarHBondContact O-N 2.74Å; D244-I246 VanDerWaalsContact O-N 3.12Å; D244-I246 PolarHBondContact OD1-N 3.22Å; D244-S247 PolarHBondContact OD1-N 3.2Å; D244-S247 PolarHBondContact OD1-OG 2.79Å; D244-S247 PolarHBondContact OD2-OG 2.85Å; D244-R248 PolarHBondContact N-O 2.99Å; D244-R248 VanDerWaalsContact N-O 3.07Å; D244-R248 PolarHBondContact OD1-N 3.39Å | ||
| 245 | Y | 78.5 | Confident | 90.6 | Very high | 17 Ų | 17 | 51 Ų | 51 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 55.4 | 19.7 | -175.5 | -58.8 | -72.1 | 0 | 0 | 0 | 115.2 | R57 Y58 I205 P243 R248 Y249 | R57-Y245 HydrophobicContact CB-CD1 4.23Å; R57-Y245 HydrophobicContact CB-CE1 3.49Å; R57-Y245 VanDerWaalsContact CB-CE1 3.49Å; R57-Y245 HydrophobicContact CB-CE2 4.27Å; R57-Y245 HydrophobicContact CG-CD1 4.14Å; R57-Y245 HydrophobicContact CG-CE1 3.64Å; Y58-Y245 HydrophobicContact CD1-CD2 4.2Å; I205-Y245 HydrophobicContact CD1-CE2 4.29Å; P243-Y245 HydrophobicContact CB-CD2 4.49Å; P243-Y245 HydrophobicContact CB-CE1 4.2Å; P243-Y245 HydrophobicContact CB-CE2 4.05Å; P243-Y245 HydrophobicContact CG-CE2 3.94Å; Y245-R248 PolarHBondContact N-O 3.24Å; Y245-Y249 AromaticContact CD1-CD1 3.8Å; Y245-Y249 HydrophobicContact CD1-CD1 3.8Å; Y245-Y249 HydrophobicContact CD1-CE1 4.41Å; Y245-Y249 WeakPolarHBondContact CE1-O 3.4Å |
| 246 | I | 80.9 | Confident | 90.1 | Very high | 146 Ų | 146 | 57.7 Ų | 57.7 | 75% | 0.749 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -112.9 | -52.5 | 174.1 | -62.3 | 168.3 | 0 | 0 | 0 | 108.8 | D244 | D244-I246 PolarHBondContact O-N 2.74Å; D244-I246 VanDerWaalsContact O-N 3.12Å; D244-I246 PolarHBondContact OD1-N 3.22Å |
| 247 | S | 82.5 | Confident | 89.6 | Confident | 88 Ų | 88 | 65 Ų | 65 | 62% | 0.615 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -114 | -24.5 | 178 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | D244 | D244-S247 PolarHBondContact OD1-N 3.2Å; D244-S247 PolarHBondContact OD1-OG 2.79Å; D244-S247 PolarHBondContact OD2-OG 2.85Å |
| 248 | R | 84.2 | Confident | 89.3 | Confident | 46 Ų | 46 | 67 Ų | 67 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | trans | -134 | 112.9 | -169.6 | -175.1 | -174.9 | -43.9 | 102.5 | 11.2 | 110.9 | L241 L242 P243 D244 Y245 R250 D265 | L241-R248 VanDerWaalsContact CD2-NH2 3.28Å; L241-R248 VanDerWaalsContact CG-CZ 3.47Å; L242-R248 PolarHBondContact O-NH1 3.37Å; P243-R248 WeakPolarHBondContact CA-O 3.43Å; P243-R248 VanDerWaalsContact CB-O 3.28Å; P243-R248 WeakPolarHBondContact CB-O 3.5Å; D244-R248 PolarHBondContact N-O 2.99Å; D244-R248 VanDerWaalsContact N-O 3.07Å; D244-R248 PolarHBondContact OD1-N 3.39Å; Y245-R248 PolarHBondContact N-O 3.24Å; R248-R250 VanDerWaalsContact CD-O 3.3Å; R248-R250 WeakPolarHBondContact CD-O 3.3Å; R248-R250 WeakPolarHBondContact CG-O 3.23Å; R248-D265 IonicContact NH2-OD1 2.61Å | ||
| 249 | Y | 84.8 | Confident | 88.9 | Confident | 109 Ų | 109 | 67.9 Ų | 67.9 | 43% | 0.427 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -95.9 | -13.1 | -178.7 | -67.5 | -91.6 | 0 | 0 | 0 | 114.1 | Y245 | Y245-Y249 AromaticContact CD1-CD1 3.8Å; Y245-Y249 HydrophobicContact CD1-CD1 3.8Å; Y245-Y249 HydrophobicContact CD1-CE1 4.41Å; Y245-Y249 WeakPolarHBondContact CE1-O 3.4Å |
| 250 | R | 90 | Very high | 88.5 | Confident | 101 Ų | 101 | 71.5 Ų | 71.5 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -132.1 | 143.7 | 173.8 | -178.7 | 179.3 | 174.8 | 99.8 | -3.6 | 109.6 | E208 D212 R248 | E208-R250 IonicContact OE1-CZ 2.79Å; E208-R250 IonicContact OE1-NE 2.64Å; E208-R250 IonicContact OE1-NH1 3.23Å; E208-R250 PolarHBondContact OE1-NH1 3.44Å; D212-R250 IonicContact OD1-CZ 2.7Å; D212-R250 IonicContact OD1-NH2 3.73Å; D212-R250 PolarHBondContact OD1-NH2 3.41Å; D212-R250 IonicContact OD2-CZ 2.74Å; D212-R250 IonicContact OD2-NE 3.67Å; D212-R250 IonicContact OD2-NH2 2.6Å; D212-R250 PolarHBondContact OD2-NH2 2.92Å; R248-R250 VanDerWaalsContact CD-O 3.3Å; R248-R250 WeakPolarHBondContact CD-O 3.3Å; R248-R250 WeakPolarHBondContact CG-O 3.23Å |
| 251 | G | 91.9 | Very high | 88.2 | Confident | 7 Ų | 7 | 74 Ų | 74 | 7% | 0.072 | 40% | 0.396 | C | S | . | . | trans | -65.4 | 169.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y240 L241 | Y240-G251 VanDerWaalsContact OH-CA 3.3Å; Y240-G251 WeakPolarHBondContact OH-CA 2.96Å; L241-G251 CarbonylContact O-C 3.48Å; L241-G251 WeakPolarHBondContact O-CA 3.41Å | ||
| 252 | Q | 94.4 | Very high | 87.9 | Confident | 101 Ų | 101 | 76.9 Ų | 76.9 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 140.4 | -178.3 | -175.5 | 180 | 1.9 | 0 | 0 | 111.4 | Y240 L241 C254 | Y240-Q252 CarbonylContact C-O 3.51Å; Y240-Q252 WeakPolarHBondContact CA-O 3.36Å; L241-Q252 PolarHBondContact N-O 3.26Å; L241-Q252 PolarHBondContact O-N 3.1Å; Q252-C254 PolarHBondContact O-N 3.14Å |
| 253 | V | 95.2 | Very high | 87.6 | Confident | 46 Ų | 46 | 82.5 Ų | 82.5 | 28% | 0.279 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 122.6 | 169.4 | -169.2 | 0 | 0 | 0 | 0 | 109.3 | D212 V213 R238 Y240 G255 | D212-V253 HydrophobicContact CB-CG2 3.93Å; V213-V253 HydrophobicContact CG1-CG2 3.8Å; R238-V253 HydrophobicContact CB-CG1 4.17Å; R238-V253 HydrophobicContact CG-CG1 4.23Å; Y240-V253 HydrophobicContact CD2-CG2 3.99Å; Y240-V253 HydrophobicContact CE2-CG2 4.34Å; V253-G255 PolarHBondContact O-N 2.95Å |
| 254 | C | 93.6 | Very high | 87.5 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 16% | 0.155 | 49% | 0.485 | C | S | . | . | trans | -69.2 | 120 | 175.6 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | Q239 Q252 D258 | Q239-C254 HydrophobicContact CB-CB 4.08Å; Q239-C254 PolarHBondContact O-N 2.64Å; Q252-C254 PolarHBondContact O-N 3.14Å; C254-D258 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 255 | G | 88.6 | Confident | 87.7 | Confident | 45 Ų | 45 | 85.3 Ų | 85.3 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | trans | -80.6 | 174.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V253 D258 | V253-G255 PolarHBondContact O-N 2.95Å; G255-D258 PolarHBondContact N-OD2 2.97Å | ||
| 256 | K | 82.6 | Confident | 88.4 | Confident | 207 Ų | 207 | 91 Ų | 91 | 90% | 0.9 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -75.1 | -29.5 | 175.3 | -69.8 | -174.9 | 177.4 | -177.3 | 0 | 112.7 | ||
| 257 | D | 86.4 | Confident | 89 | Confident | 165 Ų | 165 | 88.7 Ų | 88.7 | 88% | 0.882 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -92.2 | -1.4 | -177.2 | -52.3 | -53.9 | 0 | 0 | 0 | 112.4 | ||
| 258 | D | 88.9 | Confident | 89.7 | Confident | 66 Ų | 66 | 84.5 Ų | 84.5 | 35% | 0.353 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -72.6 | 150.6 | 177.5 | -72.5 | -17.6 | 0 | 0 | 0 | 111 | C254 G255 | C254-D258 WeakPolarHBondContact CA-OD2 3.35Å; G255-D258 PolarHBondContact N-OD2 2.97Å |
| 259 | P | 87.7 | Confident | 90.2 | Very high | 108 Ų | 108 | 84.1 Ų | 84.1 | 70% | 0.701 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -54 | 145.1 | 172.7 | -23.9 | 33.5 | 0 | 0 | 0 | 111.8 | L261 | P259-L261 PolarHBondContact O-N 3.4Š|
| 260 | P | 87.9 | Confident | 90.8 | Very high | 121 Ų | 121 | 79 Ų | 79 | 79% | 0.786 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 137.1 | 175.9 | 25.6 | -33.5 | 0 | 0 | 0 | 110.4 | T262 | P260-T262 PolarHBondContact O-N 2.77Š|
| 261 | L | 89.5 | Confident | 91.2 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 28% | 0.277 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 136.5 | 177.2 | -63.1 | 176.7 | 0 | 0 | 0 | 110.7 | L241 P259 D265 Y267 | L241-L261 HydrophobicContact CD1-CD2 3.88Å; L241-L261 HydrophobicContact CD2-CD2 4.02Å; L241-L261 HydrophobicContact CG-CD2 4.44Å; P259-L261 PolarHBondContact O-N 3.4Å; L261-D265 HydrophobicContact CB-CB 4.3Å; L261-D265 HydrophobicContact CD2-CB 4.18Å; L261-Y267 HydrophobicContact CD1-CD1 3.52Å; L261-Y267 HydrophobicContact CD1-CD2 4.25Å; L261-Y267 HydrophobicContact CD1-CE1 3.85Å; L261-Y267 HydrophobicContact CD1-CG 3.72Å |
| 262 | T | 88.9 | Confident | 91.4 | Very high | 75 Ų | 75 | 77.2 Ų | 77.2 | 46% | 0.46 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -85 | 169.9 | 177.5 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | P260 S264 D265 | P260-T262 PolarHBondContact O-N 2.77Å; T262-S264 PolarHBondContact O-N 2.97Å; T262-S264 PolarHBondContact OG1-OG 3.18Å; T262-D265 WeakPolarHBondContact CB-OD2 3.28Å; T262-D265 PolarHBondContact N-OD2 2.98Å; T262-D265 PolarHBondContact O-N 3.33Å; T262-D265 VanDerWaalsContact OG1-CG 3.29Å; T262-D265 PolarHBondContact OG1-OD2 3.19Å |
| 263 | S | 86.8 | Confident | 91.6 | Very high | 135 Ų | 135 | 72.5 Ų | 72.5 | 94% | 0.944 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.7 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 114 | ||
| 264 | S | 87.2 | Confident | 91.7 | Very high | 99 Ų | 99 | 71.8 Ų | 71.8 | 69% | 0.692 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -13.9 | 176 | 45.3 | 0 | 0 | 0 | 0 | 113.7 | T262 Q266 | T262-S264 PolarHBondContact O-N 2.97Å; T262-S264 PolarHBondContact OG1-OG 3.18Å; S264-Q266 PolarHBondContact O-N 2.63Å |
| 265 | D | 91.5 | Very high | 91.9 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | trans | -73.9 | 124 | -177.6 | -75.4 | -54.8 | 0 | 0 | 0 | 111.4 | L241 R248 L261 T262 | L241-D265 HydrophobicContact CD1-CB 3.74Å; R248-D265 IonicContact NH2-OD1 2.61Å; L261-D265 HydrophobicContact CB-CB 4.3Å; L261-D265 HydrophobicContact CD2-CB 4.18Å; T262-D265 WeakPolarHBondContact CB-OD2 3.28Å; T262-D265 PolarHBondContact N-OD2 2.98Å; T262-D265 PolarHBondContact O-N 3.33Å; T262-D265 VanDerWaalsContact OG1-CG 3.29Å; T262-D265 PolarHBondContact OG1-OD2 3.19Å | ||
| 266 | Q | 92.3 | Very high | 92.3 | Very high | 136 Ų | 136 | 69.4 Ų | 69.4 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | trans | -92.4 | 123.8 | 171.4 | -64.5 | -170.9 | -0.1 | 0 | 0 | 109.8 | L241 L242 S264 | L241-Q266 WeakPolarHBondContact CD1-O 3.36Å; L242-Q266 HydrophobicContact CB-CB 4.37Å; L242-Q266 VanDerWaalsContact CB-O 3.31Å; L242-Q266 WeakPolarHBondContact CB-O 2.92Å; L242-Q266 HydrophobicContact CD1-CB 4.29Å; L242-Q266 PolarHBondContact N-O 3.13Å; S264-Q266 PolarHBondContact O-N 2.63Å | ||
| 267 | Y | 94.7 | Very high | 93.1 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.5 | 179.4 | 67.5 | -86.6 | 0 | 0 | 0 | 111 | Q239 Y240 L261 | Q239-Y267 HydrophobicContact CB-CD2 4.23Å; Q239-Y267 HydrophobicContact CG-CD2 4.05Å; Q239-Y267 HydrophobicContact CG-CE2 4.17Å; Q239-Y267 VanDerWaalsContact NE2-CE2 3.25Å; Y240-Y267 CarbonylContact O-C 3.59Å; Y240-Y267 VanDerWaalsContact O-CA 3.23Å; Y240-Y267 WeakPolarHBondContact O-CA 3.33Å; Y240-Y267 WeakPolarHBondContact O-CB 3.31Å; L261-Y267 HydrophobicContact CD1-CD1 3.52Å; L261-Y267 HydrophobicContact CD1-CD2 4.25Å; L261-Y267 HydrophobicContact CD1-CE1 3.85Å; L261-Y267 HydrophobicContact CD1-CG 3.72Å |
| 268 | V | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.8 | 169.9 | -66.6 | 0 | 0 | 0 | 0 | 109.1 | V192 V197 Q239 Y240 L242 L270 | V192-V268 HydrophobicContact CG1-CB 4.18Å; V192-V268 HydrophobicContact CG1-CG1 3.61Å; V197-V268 HydrophobicContact CG1-CG1 3.51Å; Q239-V268 CarbonylContact C-O 3.49Å; Q239-V268 WeakPolarHBondContact CA-O 3.32Å; Y240-V268 HydrophobicContact CD1-CG2 4.31Å; Y240-V268 PolarHBondContact N-O 3.45Å; Y240-V268 PolarHBondContact O-N 3Å; L242-V268 HydrophobicContact CD1-CG1 4.24Å; L242-V268 HydrophobicContact CD2-CG1 4.5Å; L242-V268 HydrophobicContact CD2-CG2 4.19Å; V268-L270 HydrophobicContact CB-CD1 4.47Å; V268-L270 HydrophobicContact CB-CD2 4.39Å; V268-L270 HydrophobicContact CG2-CD1 4.23Å; V268-L270 HydrophobicContact CG2-CD2 3.67Å |
| 269 | T | 96 | Very high | 94.1 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 24% | 0.239 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114.3 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 109 | Q196 T237 R238 Q239 | Q196-T269 PolarHBondContact NE2-O 3.27Å; T237-T269 HydrophobicContact CG2-CG2 3.57Å; R238-T269 CarbonylContact O-C 3.51Å; R238-T269 WeakPolarHBondContact O-CA 3.4Å; Q239-T269 HydrophobicContact CG-CG2 4.42Å |
| 270 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.2 | 179.8 | -55.1 | -45.6 | 0 | 0 | 0 | 110.5 | L188 V192 V213 T237 R238 V268 E273 R274 | L188-L270 HydrophobicContact CD1-CD1 4.25Å; V192-L270 HydrophobicContact CG2-CD1 3.67Å; V213-L270 HydrophobicContact CG2-CB 4.41Å; V213-L270 HydrophobicContact CG2-CD2 4.42Å; V213-L270 HydrophobicContact CG2-CG 4.08Å; T237-L270 CarbonylContact C-O 3.32Å; T237-L270 WeakPolarHBondContact CA-O 3.46Å; R238-L270 PolarHBondContact N-O 3.11Å; R238-L270 PolarHBondContact O-N 3.3Å; V268-L270 HydrophobicContact CB-CD1 4.47Å; V268-L270 HydrophobicContact CB-CD2 4.39Å; V268-L270 HydrophobicContact CG2-CD1 4.23Å; V268-L270 HydrophobicContact CG2-CD2 3.67Å; L270-E273 VanDerWaalsContact CA-OE1 3.3Å; L270-E273 WeakPolarHBondContact CA-OE1 3.5Å; L270-E273 HydrophobicContact CB-CG 4.03Å; L270-E273 HydrophobicContact CD1-CG 4.02Å; L270-E273 WeakPolarHBondContact CD1-OE1 3.37Å; L270-E273 HydrophobicContact CG-CG 4.41Å; L270-R274 HydrophobicContact CB-CG 3.7Å |
| 271 | N | 97.1 | Very high | 95 | Very high | 30 Ų | 30 | 38 Ų | 38 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -126.4 | -106.8 | 179 | -172.1 | 15.5 | 0 | 0 | 0 | 110.5 | S227 N234 I236 T237 E273 R274 | S227-N271 WeakPolarHBondContact CA-OD1 3.29Å; S227-N271 WeakPolarHBondContact CB-OD1 3.31Å; S227-N271 PolarHBondContact O-ND2 3.49Å; N234-N271 PolarHBondContact ND2-OD1 2.97Å; I236-N271 VanDerWaalsContact CG2-O 3.23Å; I236-N271 WeakPolarHBondContact CG2-O 3.4Å; T237-N271 PolarHBondContact OG1-OD1 2.75Å; N271-E273 VanDerWaalsContact C-N 3.26Å; N271-E273 WeakPolarHBondContact CA-OE2 3.19Å; N271-E273 PolarHBondContact N-OE1 3.45Å; N271-E273 PolarHBondContact N-OE2 3.26Å; N271-E273 PolarHBondContact O-N 2.65Å; N271-R274 WeakPolarHBondContact O-CB 3.49Å; N271-R274 VanDerWaalsContact O-CG 3.28Å; N271-R274 WeakPolarHBondContact O-CG 3.21Å; N271-R274 PolarHBondContact O-N 3.07Å; N271-R274 VanDerWaalsContact O-N 3.16Å |
| 272 | N | 97.4 | Very high | 95.4 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 22% | 0.219 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -22.7 | -174.8 | 68.3 | -65 | 0 | 0 | 0 | 113.4 | M224 R274 F275 S276 | M224-N272 HydrophobicContact SD-CB 4.17Å; N272-R274 PolarHBondContact O-N 3.33Å; N272-F275 HydrophobicContact CB-CE1 3.99Å; N272-F275 HydrophobicContact CB-CZ 3.8Å; N272-F275 PolarHBondContact O-N 2.87Å; N272-S276 VanDerWaalsContact C-OG 3.26Å; N272-S276 VanDerWaalsContact O-CB 3.28Å; N272-S276 WeakPolarHBondContact O-CB 3.4Å; N272-S276 PolarHBondContact O-N 3.3Å; N272-S276 PolarHBondContact O-OG 3.2Å |
| 273 | E | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -25.5 | 172.4 | 61.6 | -91.3 | -132.1 | 0 | 0 | 113.1 | L188 I191 L270 N271 F275 S276 V277 | L188-E273 HydrophobicContact CD1-CB 4.07Å; L188-E273 HydrophobicContact CD1-CG 3.79Å; I191-E273 HydrophobicContact CD1-CB 4.11Å; I191-E273 HydrophobicContact CG2-CB 4.29Å; L270-E273 VanDerWaalsContact CA-OE1 3.3Å; L270-E273 WeakPolarHBondContact CA-OE1 3.5Å; L270-E273 HydrophobicContact CB-CG 4.03Å; L270-E273 HydrophobicContact CD1-CG 4.02Å; L270-E273 WeakPolarHBondContact CD1-OE1 3.37Å; L270-E273 HydrophobicContact CG-CG 4.41Å; N271-E273 VanDerWaalsContact C-N 3.26Å; N271-E273 WeakPolarHBondContact CA-OE2 3.19Å; N271-E273 PolarHBondContact N-OE1 3.45Å; N271-E273 PolarHBondContact N-OE2 3.26Å; N271-E273 PolarHBondContact O-N 2.65Å; E273-F275 PolarHBondContact O-N 3.09Å; E273-S276 VanDerWaalsContact CA-OG 3.3Å; E273-S276 WeakPolarHBondContact CA-OG 3.06Å; E273-S276 PolarHBondContact N-OG 3.16Å; E273-V277 HydrophobicContact CB-CG2 4.13Å; E273-V277 VanDerWaalsContact O-CB 3.27Å; E273-V277 WeakPolarHBondContact O-CB 3.49Å; E273-V277 VanDerWaalsContact O-CG2 3.31Å; E273-V277 WeakPolarHBondContact O-CG2 3.46Å; E273-V277 PolarHBondContact O-N 2.97Å; E273-V277 VanDerWaalsContact O-N 3.15Å |
| 274 | R | 98 | Very high | 96.3 | Very high | 30 Ų | 30 | 29.6 Ų | 29.6 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -31 | 178.4 | -63.2 | -179.3 | 64.2 | -144.1 | -7.9 | 112.9 | V213 C214 Y215 I236 L270 N271 N272 P278 | V213-R274 HydrophobicContact CB-CG 4.36Å; V213-R274 HydrophobicContact CG2-CG 4.18Å; V213-R274 VanDerWaalsContact O-CZ 3.28Å; V213-R274 PolarHBondContact O-NE 3.46Å; V213-R274 PolarHBondContact O-NH2 2.95Å; C214-R274 CarbonylContact C-O 3.52Å; C214-R274 WeakPolarHBondContact CA-O 3.4Å; C214-R274 WeakPolarHBondContact CB-O 3.4Å; Y215-R274 HydrophobicContact CD1-CB 4.25Å; Y215-R274 HydrophobicContact CE1-CB 3.81Å; Y215-R274 PolarHBondContact N-O 3.04Å; I236-R274 VanDerWaalsContact O-CD 3.3Å; I236-R274 WeakPolarHBondContact O-CD 3.38Å; I236-R274 PolarHBondContact O-NH1 3.13Å; L270-R274 HydrophobicContact CB-CG 3.7Å; N271-R274 WeakPolarHBondContact O-CB 3.49Å; N271-R274 VanDerWaalsContact O-CG 3.28Å; N271-R274 WeakPolarHBondContact O-CG 3.21Å; N271-R274 PolarHBondContact O-N 3.07Å; N271-R274 VanDerWaalsContact O-N 3.16Å; N272-R274 PolarHBondContact O-N 3.33Å; R274-P278 WeakPolarHBondContact O-CD 3.31Å |
| 275 | F | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -116.8 | -26.9 | 178.4 | 64.1 | -96.6 | 0 | 0 | 0 | 113.6 | Y215 F220 D223 M224 I236 N272 E273 P278 E279 | Y215-F275 HydrophobicContact CD2-CB 4.39Å; Y215-F275 HydrophobicContact CE1-CB 4.38Å; Y215-F275 HydrophobicContact CE2-CB 3.87Å; Y215-F275 WeakPolarHBondContact O-CA 3.43Å; Y215-F275 WeakPolarHBondContact OH-CD1 3.11Å; F220-F275 AromaticContact CD2-CD2 3.88Å; F220-F275 HydrophobicContact CD2-CD2 3.88Å; F220-F275 HydrophobicContact CD2-CE2 4.06Å; F220-F275 AromaticContact CE2-CD2 3.76Å; F220-F275 HydrophobicContact CE2-CD2 3.76Å; F220-F275 AromaticContact CE2-CE2 3.81Å; F220-F275 HydrophobicContact CE2-CE2 3.81Å; F220-F275 HydrophobicContact CZ-CE2 4.15Å; D223-F275 HydrophobicContact CB-CD1 4.05Å; D223-F275 HydrophobicContact CB-CD2 4.18Å; D223-F275 HydrophobicContact CB-CE1 3.8Å; D223-F275 HydrophobicContact CB-CE2 3.98Å; D223-F275 HydrophobicContact CB-CG 4.23Å; D223-F275 HydrophobicContact CB-CZ 3.79Å; M224-F275 HydrophobicContact CG-CE2 3.86Å; M224-F275 HydrophobicContact CG-CZ 4.03Å; M224-F275 HydrophobicContact SD-CE2 3.66Å; M224-F275 HydrophobicContact SD-CZ 3.63Å; I236-F275 HydrophobicContact CG1-CE1 4.39Å; I236-F275 HydrophobicContact CG2-CD1 4.03Å; I236-F275 HydrophobicContact CG2-CE1 3.9Å; N272-F275 HydrophobicContact CB-CE1 3.99Å; N272-F275 HydrophobicContact CB-CZ 3.8Å; N272-F275 PolarHBondContact O-N 2.87Å; E273-F275 PolarHBondContact O-N 3.09Å; F275-P278 WeakPolarHBondContact O-CD 3.32Å; F275-E279 PolarHBondContact O-N 2.76Å; F275-E279 VanDerWaalsContact O-N 3.16Å |
| 276 | S | 97.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.4 | -20.2 | 176.8 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | N272 E273 E279 | N272-S276 VanDerWaalsContact C-OG 3.26Å; N272-S276 VanDerWaalsContact O-CB 3.28Å; N272-S276 WeakPolarHBondContact O-CB 3.4Å; N272-S276 PolarHBondContact O-N 3.3Å; N272-S276 PolarHBondContact O-OG 3.2Å; E273-S276 VanDerWaalsContact CA-OG 3.3Å; E273-S276 WeakPolarHBondContact CA-OG 3.06Å; E273-S276 PolarHBondContact N-OG 3.16Å; S276-E279 WeakPolarHBondContact O-CB 3.33Å |
| 277 | V | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -47.6 | 171.3 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | M184 R187 I191 E273 E279 L280 | M184-V277 HydrophobicContact CB-CG1 3.63Å; M184-V277 HydrophobicContact CG-CG1 4.09Å; M184-V277 VanDerWaalsContact O-CG1 3.29Å; M184-V277 WeakPolarHBondContact O-CG1 3.47Å; R187-V277 HydrophobicContact CB-CG1 4.32Å; R187-V277 HydrophobicContact CB-CG2 4.46Å; R187-V277 HydrophobicContact CG-CG2 3.98Å; I191-V277 HydrophobicContact CD1-CG2 3.91Å; E273-V277 HydrophobicContact CB-CG2 4.13Å; E273-V277 VanDerWaalsContact O-CB 3.27Å; E273-V277 WeakPolarHBondContact O-CB 3.49Å; E273-V277 VanDerWaalsContact O-CG2 3.31Å; E273-V277 WeakPolarHBondContact O-CG2 3.46Å; E273-V277 PolarHBondContact O-N 2.97Å; E273-V277 VanDerWaalsContact O-N 3.15Å; V277-E279 PolarHBondContact O-N 2.79Å; V277-L280 WeakPolarHBondContact O-CB 3.1Å; V277-L280 WeakPolarHBondContact O-CG 3.37Å; V277-L280 PolarHBondContact O-N 2.99Å |
| 278 | P | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -59.5 | -26.7 | 171 | -32.5 | 40.9 | 0 | 0 | 0 | 114.9 | C214 Y215 V216 R274 F275 L280 L281 L327 | C214-P278 HydrophobicContact CB-CG 3.72Å; Y215-P278 WeakPolarHBondContact O-CG 3.4Å; V216-P278 HydrophobicContact CG2-CB 3.98Å; R274-P278 WeakPolarHBondContact O-CD 3.31Å; F275-P278 WeakPolarHBondContact O-CD 3.32Å; P278-L280 PolarHBondContact O-N 2.83Å; P278-L281 PolarHBondContact O-N 3.04Å; P278-L327 HydrophobicContact CB-CD1 4.16Å; P278-L327 HydrophobicContact CG-CD1 4.39Å; P278-L327 HydrophobicContact CG-CD2 4.23Å |
| 279 | E | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -54.8 | -23.8 | 177 | -167.1 | 62.7 | -165 | 0 | 0 | 113.1 | F220 F275 S276 V277 L281 F282 H283 M286 R333 | F220-E279 HydrophobicContact CD2-CB 4.38Å; F220-E279 HydrophobicContact CD2-CG 3.85Å; F220-E279 HydrophobicContact CE2-CB 4Å; F220-E279 HydrophobicContact CE2-CG 3.69Å; F275-E279 PolarHBondContact O-N 2.76Å; F275-E279 VanDerWaalsContact O-N 3.16Å; S276-E279 WeakPolarHBondContact O-CB 3.33Å; V277-E279 PolarHBondContact O-N 2.79Å; E279-L281 PolarHBondContact O-N 2.83Å; E279-L281 VanDerWaalsContact O-N 3.12Å; E279-F282 PolarHBondContact O-N 3.07Å; E279-H283 PolarHBondContact O-N 3.27Å; E279-H283 IonicContact OE1-CE1 3.74Å; E279-H283 PolarHBondContact OE1-CE1 3.2Å; E279-H283 VanDerWaalsContact OE1-CE1 3.3Å; E279-H283 IonicContact OE1-CG 2.67Å; E279-H283 IonicContact OE1-ND1 3.3Å; E279-H283 PolarHBondContact OE1-ND1 2.97Å; E279-M286 HydrophobicContact CB-SD 3.99Å; E279-M286 HydrophobicContact CG-CE 4.29Å; E279-M286 HydrophobicContact CG-SD 3.4Å; E279-M286 WeakPolarHBondContact CG-SD 3.33Å; E279-R333 IonicContact OE1-CZ 3.61Å; E279-R333 IonicContact OE1-NH1 3.65Å; E279-R333 IonicContact OE1-NH2 2.68Å; E279-R333 PolarHBondContact OE1-NH2 2.61Å; E279-R333 IonicContact OE2-CZ 3.47Å; E279-R333 IonicContact OE2-NH1 2.76Å; E279-R333 PolarHBondContact OE2-NH1 3.46Å; E279-R333 IonicContact OE2-NH2 3.28Å; E279-R333 PolarHBondContact OE2-NH2 3.25Å |
| 280 | L | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -57.7 | -24.3 | 175.1 | -60.8 | -178.9 | 0 | 0 | 0 | 113.8 | V179 M183 R187 V277 P278 F282 P284 M286 V287 | V179-L280 HydrophobicContact CG1-CB 4.06Å; M183-L280 HydrophobicContact CG-CD1 4.31Å; R187-L280 HydrophobicContact CB-CD1 4.2Å; R187-L280 HydrophobicContact CG-CD1 4.22Å; V277-L280 WeakPolarHBondContact O-CB 3.1Å; V277-L280 WeakPolarHBondContact O-CG 3.37Å; V277-L280 PolarHBondContact O-N 2.99Å; P278-L280 PolarHBondContact O-N 2.83Å; L280-F282 VanDerWaalsContact C-N 3.29Å; L280-P284 WeakPolarHBondContact O-CG 3.18Å; L280-M286 HydrophobicContact CD2-CB 4.02Å; L280-V287 HydrophobicContact CD1-CG1 4.27Å; L280-V287 HydrophobicContact CD2-CB 4.33Å; L280-V287 HydrophobicContact CD2-CG1 3.56Å; L280-V287 HydrophobicContact CD2-CG2 3.94Å |
| 281 | L | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -66.6 | -32.7 | 172.5 | -79 | 169.8 | 0 | 0 | 0 | 112.3 | L177 V179 M184 P278 E279 G293 L294 N324 L327 I330 | L177-L281 HydrophobicContact CD2-CD2 4.42Å; V179-L281 HydrophobicContact CB-CD2 4.39Å; V179-L281 HydrophobicContact CG1-CD2 3.97Å; V179-L281 HydrophobicContact CG1-CG 4.32Å; M184-L281 HydrophobicContact CE-CD1 3.43Å; M184-L281 VanDerWaalsContact CE-CD1 3.43Å; M184-L281 HydrophobicContact CE-CD2 4.03Å; M184-L281 HydrophobicContact CE-CG 3.33Å; P278-L281 PolarHBondContact O-N 3.04Å; E279-L281 PolarHBondContact O-N 2.83Å; E279-L281 VanDerWaalsContact O-N 3.12Å; L281-G293 CarbonylContact O-C 3.54Å; L281-L294 VanDerWaalsContact O-CB 3.3Å; L281-L294 WeakPolarHBondContact O-CB 3.43Å; L281-L294 PolarHBondContact O-N 3.17Å; L281-N324 HydrophobicContact CD1-CB 4.4Å; L281-L327 HydrophobicContact CD1-CD1 4.38Å; L281-I330 HydrophobicContact CD1-CD1 3.96Å |
| 282 | F | 98.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -30.7 | -174.3 | -62.9 | -85.1 | 0 | 0 | 0 | 111.7 | V216 E279 L280 G293 L294 I330 R333 L334 E337 | V216-F282 HydrophobicContact CB-CE2 4.48Å; V216-F282 HydrophobicContact CG1-CD2 4.26Å; V216-F282 HydrophobicContact CG1-CE2 3.5Å; V216-F282 HydrophobicContact CG1-CZ 4.08Å; V216-F282 HydrophobicContact CG2-CE2 4.09Å; E279-F282 PolarHBondContact O-N 3.07Å; L280-F282 VanDerWaalsContact C-N 3.29Å; F282-G293 VanDerWaalsContact O-CA 3.25Å; F282-G293 WeakPolarHBondContact O-CA 3.44Å; F282-L294 HydrophobicContact CD1-CB 4.25Å; F282-L294 HydrophobicContact CE1-CB 4.2Å; F282-L294 HydrophobicContact CE1-CD2 4.26Å; F282-L294 HydrophobicContact CZ-CD2 4.13Å; F282-I330 HydrophobicContact CZ-CG1 4.27Å; F282-R333 HydrophobicContact CD1-CG 4.07Å; F282-R333 HydrophobicContact CD2-CG 4.2Å; F282-R333 HydrophobicContact CE1-CB 4.4Å; F282-R333 HydrophobicContact CE1-CG 3.66Å; F282-R333 HydrophobicContact CE2-CB 4.48Å; F282-R333 HydrophobicContact CE2-CG 3.81Å; F282-R333 HydrophobicContact CG-CG 4.32Å; F282-R333 HydrophobicContact CZ-CB 4Å; F282-R333 HydrophobicContact CZ-CG 3.51Å; F282-L334 HydrophobicContact CE1-CB 4.25Å; F282-L334 HydrophobicContact CE1-CD1 4.32Å; F282-L334 HydrophobicContact CZ-CB 4.5Å; F282-E337 VanDerWaalsContact CD1-OE2 3.26Å; F282-E337 WeakPolarHBondContact CD1-OE2 3.47Å |
| 283 | H | 97.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 37.8 Ų | 37.8 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | trans | -134.1 | 74.2 | 178.8 | -60.1 | 100.5 | 0 | 0 | 0 | 111.4 | E279 S285 M286 E337 | E279-H283 PolarHBondContact O-N 3.27Å; E279-H283 IonicContact OE1-CE1 3.74Å; E279-H283 PolarHBondContact OE1-CE1 3.2Å; E279-H283 VanDerWaalsContact OE1-CE1 3.3Å; E279-H283 IonicContact OE1-CG 2.67Å; E279-H283 IonicContact OE1-ND1 3.3Å; E279-H283 PolarHBondContact OE1-ND1 2.97Å; H283-S285 PolarHBondContact O-N 3.26Å; H283-S285 VanDerWaalsContact O-N 3.13Å; H283-M286 HydrophobicContact CB-CG 3.99Å; H283-M286 HydrophobicContact CB-SD 4.03Å; H283-M286 WeakPolarHBondContact O-CB 3.23Å; H283-M286 WeakPolarHBondContact O-CG 3.37Å; H283-M286 PolarHBondContact O-N 2.98Å; H283-M286 VanDerWaalsContact O-N 3.11Å; H283-E337 IonicContact CE1-OE1 3.34Å | ||
| 284 | P | 97.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -57.2 | -27.2 | 177.2 | -23 | 32.9 | 0 | 0 | 0 | 113.4 | L177 V179 L280 M286 V287 M289 E291 | L177-P284 HydrophobicContact CD1-CG 3.76Å; V179-P284 HydrophobicContact CG2-CB 4.1Å; V179-P284 HydrophobicContact CG2-CG 4.11Å; L280-P284 WeakPolarHBondContact O-CG 3.18Å; P284-M286 PolarHBondContact O-N 3.13Å; P284-V287 VanDerWaalsContact O-CG2 3.25Å; P284-V287 WeakPolarHBondContact O-CG2 3.49Å; P284-V287 PolarHBondContact O-N 3.29Å; P284-M289 HydrophobicContact CB-CB 3.85Å; P284-M289 HydrophobicContact CB-SD 4.42Å; P284-M289 PolarHBondContact O-N 3.27Å; P284-E291 HydrophobicContact CB-CB 4.34Å; P284-E291 HydrophobicContact CG-CB 4.45Å |
| 285 | S | 95.7 | Very high | 96.5 | Very high | 80 Ų | 80 | 36.2 Ų | 36.2 | 56% | 0.559 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -58 | -20.4 | 176.9 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | H283 V287 G288 M289 | H283-S285 PolarHBondContact O-N 3.26Å; H283-S285 VanDerWaalsContact O-N 3.13Å; S285-V287 PolarHBondContact O-N 2.75Å; S285-V287 VanDerWaalsContact O-N 3.14Å; S285-G288 PolarHBondContact O-N 3.25Å; S285-M289 VanDerWaalsContact CA-O 3.24Å; S285-M289 WeakPolarHBondContact CA-O 3.42Å; S285-M289 PolarHBondContact N-O 2.82Å |
| 286 | M | 92.2 | Very high | 96.5 | Very high | 95 Ų | 95 | 40.5 Ų | 40.5 | 47% | 0.468 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -60.3 | -21 | 174 | -69.2 | -179.2 | 66.1 | 0 | 0 | 113.9 | F220 E279 L280 H283 P284 | F220-M286 HydrophobicContact CZ-CE 4.27Å; E279-M286 HydrophobicContact CB-SD 3.99Å; E279-M286 HydrophobicContact CG-CE 4.29Å; E279-M286 HydrophobicContact CG-SD 3.4Å; E279-M286 WeakPolarHBondContact CG-SD 3.33Å; L280-M286 HydrophobicContact CD2-CB 4.02Å; H283-M286 HydrophobicContact CB-CG 3.99Å; H283-M286 HydrophobicContact CB-SD 4.03Å; H283-M286 WeakPolarHBondContact O-CB 3.23Å; H283-M286 WeakPolarHBondContact O-CG 3.37Å; H283-M286 PolarHBondContact O-N 2.98Å; H283-M286 VanDerWaalsContact O-N 3.11Å; P284-M286 PolarHBondContact O-N 3.13Å |
| 287 | V | 92.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -115.2 | 20.9 | 173.9 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | L280 P284 S285 M289 | L280-V287 HydrophobicContact CD1-CG1 4.27Å; L280-V287 HydrophobicContact CD2-CB 4.33Å; L280-V287 HydrophobicContact CD2-CG1 3.56Å; L280-V287 HydrophobicContact CD2-CG2 3.94Å; P284-V287 VanDerWaalsContact O-CG2 3.25Å; P284-V287 WeakPolarHBondContact O-CG2 3.49Å; P284-V287 PolarHBondContact O-N 3.29Å; S285-V287 PolarHBondContact O-N 2.75Å; S285-V287 VanDerWaalsContact O-N 3.14Å; V287-M289 VanDerWaalsContact C-N 3.31Å; V287-M289 HydrophobicContact CG2-CG 4.04Å; V287-M289 HydrophobicContact CG2-SD 3.94Å; V287-M289 PolarHBondContact O-N 3.06Å |
| 288 | G | 93 | Very high | 96.6 | Very high | 71 Ų | 71 | 39.7 Ų | 39.7 | 73% | 0.732 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 11.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S285 | S285-G288 PolarHBondContact O-N 3.25Š|
| 289 | M | 93.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 16% | 0.158 | 23% | 0.23 | C | C | . | . | trans | -79.6 | 125.1 | 173 | -66.7 | 173 | 69.7 | 0 | 0 | 110.2 | D178 V179 M183 P284 S285 V287 E291 | D178-M289 HydrophobicContact CB-CE 3.95Å; V179-M289 HydrophobicContact CG2-CE 3.92Å; V179-M289 HydrophobicContact CG2-SD 4.1Å; M183-M289 HydrophobicContact CE-CE 4.03Å; M183-M289 HydrophobicContact CE-SD 3.41Å; M183-M289 WeakPolarHBondContact CE-SD 3.49Å; M183-M289 HydrophobicContact SD-CE 4.43Å; M183-M289 HydrophobicContact SD-SD 3.5Å; P284-M289 HydrophobicContact CB-CB 3.85Å; P284-M289 HydrophobicContact CB-SD 4.42Å; P284-M289 PolarHBondContact O-N 3.27Å; S285-M289 VanDerWaalsContact CA-O 3.24Å; S285-M289 WeakPolarHBondContact CA-O 3.42Å; S285-M289 PolarHBondContact N-O 2.82Å; V287-M289 VanDerWaalsContact C-N 3.31Å; V287-M289 HydrophobicContact CG2-CG 4.04Å; V287-M289 HydrophobicContact CG2-SD 3.94Å; V287-M289 PolarHBondContact O-N 3.06Å; M289-E291 WeakPolarHBondContact CE-OE1 3.35Å; M289-E291 PolarHBondContact O-N 2.85Å; M289-E291 VanDerWaalsContact O-N 3.13Å | ||
| 290 | N | 94.4 | Very high | 96.6 | Very high | 171 Ų | 171 | 44 Ų | 44 | 91% | 0.914 | 24% | 0.244 | S | C | * | . | trans | -88.1 | 60.8 | 174.5 | -168.6 | 38.2 | 0 | 0 | 0 | 110.6 | ||||
| 291 | E | 94.9 | Very high | 96.7 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | trans | -125.9 | 151.1 | -179.9 | -74.7 | 179.5 | -133.4 | 0 | 0 | 110.7 | L177 D178 P284 M289 | L177-E291 HydrophobicContact CD1-CB 4.14Å; L177-E291 WeakPolarHBondContact CD1-OE2 3.48Å; D178-E291 PolarHBondContact N-OE2 3.31Å; P284-E291 HydrophobicContact CB-CB 4.34Å; P284-E291 HydrophobicContact CG-CB 4.45Å; M289-E291 WeakPolarHBondContact CE-OE1 3.35Å; M289-E291 PolarHBondContact O-N 2.85Å; M289-E291 VanDerWaalsContact O-N 3.13Å | ||
| 292 | M | 97.3 | Very high | 96.7 | Very high | 70 Ų | 70 | 43.8 Ų | 43.8 | 35% | 0.345 | 24% | 0.243 | S | C | . | . | trans | -66 | 144.5 | 173.4 | -76.3 | -176.4 | -67.3 | 0 | 0 | 111.1 | L177 E296 I297 Y300 | L177-M292 WeakPolarHBondContact CD1-O 3.25Å; M292-E296 VanDerWaalsContact CA-OE2 3.25Å; M292-E296 WeakPolarHBondContact CA-OE2 3.48Å; M292-E296 HydrophobicContact CB-CB 3.84Å; M292-E296 HydrophobicContact CG-CB 4.13Å; M292-E296 HydrophobicContact SD-CB 4.3Å; M292-I297 HydrophobicContact CB-CG2 3.48Å; M292-I297 VanDerWaalsContact CB-CG2 3.48Å; M292-I297 HydrophobicContact CE-CG2 4.04Å; M292-Y300 HydrophobicContact CE-CD1 3.55Å; M292-Y300 HydrophobicContact CE-CD2 4.5Å; M292-Y300 HydrophobicContact CE-CE1 3.94Å; M292-Y300 HydrophobicContact CE-CG 3.84Å; M292-Y300 HydrophobicContact SD-CD1 4.5Å; M292-Y300 HydrophobicContact SD-CG 4.2Å | ||
| 293 | G | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -70.3 | 170.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L281 F282 A295 E296 I297 | L281-G293 CarbonylContact O-C 3.54Å; F282-G293 VanDerWaalsContact O-CA 3.25Å; F282-G293 WeakPolarHBondContact O-CA 3.44Å; G293-A295 VanDerWaalsContact C-N 3.35Å; G293-A295 PolarHBondContact O-N 3Å; G293-E296 PolarHBondContact N-OE2 3.41Å; G293-E296 WeakPolarHBondContact O-CB 3.4Å; G293-E296 PolarHBondContact O-N 3.42Å; G293-E296 VanDerWaalsContact O-N 3.11Å; G293-I297 WeakPolarHBondContact O-CG1 3.31Å; G293-I297 PolarHBondContact O-N 2.8Å | ||
| 294 | L | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.9 | -45 | -177 | -175.5 | 59.3 | 0 | 0 | 0 | 112.8 | V152 T159 L281 F282 I297 V298 I330 L334 | V152-L294 HydrophobicContact CG1-CD1 3.77Å; T159-L294 HydrophobicContact CG2-CD1 3.67Å; L281-L294 VanDerWaalsContact O-CB 3.3Å; L281-L294 WeakPolarHBondContact O-CB 3.43Å; L281-L294 PolarHBondContact O-N 3.17Å; F282-L294 HydrophobicContact CD1-CB 4.25Å; F282-L294 HydrophobicContact CE1-CB 4.2Å; F282-L294 HydrophobicContact CE1-CD2 4.26Å; F282-L294 HydrophobicContact CZ-CD2 4.13Å; L294-I297 HydrophobicContact CD1-CD1 4.12Å; L294-I297 HydrophobicContact CD1-CG1 4.37Å; L294-I297 WeakPolarHBondContact O-CG1 3.34Å; L294-V298 VanDerWaalsContact O-CG2 3.25Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 3.34Å; L294-I330 HydrophobicContact CD2-CD1 4.42Å; L294-L334 HydrophobicContact CB-CD1 4.48Å; L294-L334 HydrophobicContact CD2-CD1 4.23Å; L294-L334 HydrophobicContact CD2-CD2 4.4Å; L294-L334 HydrophobicContact CG-CD1 3.89Å |
| 295 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | G293 V298 A299 L334 E337 L338 M341 | G293-A295 VanDerWaalsContact C-N 3.35Å; G293-A295 PolarHBondContact O-N 3Å; A295-V298 PolarHBondContact O-N 3.14Å; A295-A299 PolarHBondContact O-N 2.85Å; A295-L334 HydrophobicContact CB-CD1 3.95Å; A295-E337 HydrophobicContact CB-CB 3.55Å; A295-L338 WeakPolarHBondContact O-CD1 3.18Å; A295-M341 HydrophobicContact CB-CE 3.98Å; A295-M341 HydrophobicContact CB-SD 4.16Å |
| 296 | E | 98.4 | Very high | 96.9 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 180 | -63.3 | 177.1 | 146.4 | 0 | 0 | 111.7 | M292 G293 V298 A299 Y300 M341 | M292-E296 VanDerWaalsContact CA-OE2 3.25Å; M292-E296 WeakPolarHBondContact CA-OE2 3.48Å; M292-E296 HydrophobicContact CB-CB 3.84Å; M292-E296 HydrophobicContact CG-CB 4.13Å; M292-E296 HydrophobicContact SD-CB 4.3Å; G293-E296 PolarHBondContact N-OE2 3.41Å; G293-E296 WeakPolarHBondContact O-CB 3.4Å; G293-E296 PolarHBondContact O-N 3.42Å; G293-E296 VanDerWaalsContact O-N 3.11Å; E296-V298 VanDerWaalsContact C-N 3.3Å; E296-V298 PolarHBondContact O-N 2.56Å; E296-A299 PolarHBondContact O-N 2.88Å; E296-Y300 WeakPolarHBondContact O-CB 3.29Å; E296-Y300 PolarHBondContact O-N 3.26Å; E296-M341 HydrophobicContact CG-CE 3.65Å; E296-M341 HydrophobicContact CG-SD 4.2Å |
| 297 | I | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.3 | -32.6 | 177.7 | 62.4 | 160.9 | 0 | 0 | 0 | 112.4 | V161 V175 L177 M292 G293 L294 S301 | V161-I297 HydrophobicContact CB-CD1 4.43Å; V161-I297 HydrophobicContact CG2-CD1 3.44Å; V161-I297 VanDerWaalsContact CG2-CD1 3.44Å; V161-I297 HydrophobicContact CG2-CG1 3.83Å; V175-I297 HydrophobicContact CG1-CB 3.79Å; V175-I297 HydrophobicContact CG1-CG2 3.88Å; L177-I297 HydrophobicContact CB-CD1 3.73Å; L177-I297 HydrophobicContact CD2-CD1 4.37Å; M292-I297 HydrophobicContact CB-CG2 3.48Å; M292-I297 VanDerWaalsContact CB-CG2 3.48Å; M292-I297 HydrophobicContact CE-CG2 4.04Å; G293-I297 WeakPolarHBondContact O-CG1 3.31Å; G293-I297 PolarHBondContact O-N 2.8Å; L294-I297 HydrophobicContact CD1-CD1 4.12Å; L294-I297 HydrophobicContact CD1-CG1 4.37Å; L294-I297 WeakPolarHBondContact O-CG1 3.34Å; I297-S301 WeakPolarHBondContact O-CB 3.39Å; I297-S301 PolarHBondContact O-N 3.23Å |
| 298 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.5 | -47.9 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | V152 V161 L294 A295 E296 I302 I318 L338 | V152-V298 HydrophobicContact CG2-CG2 3.94Å; V161-V298 HydrophobicContact CG1-CG2 4.18Å; V161-V298 HydrophobicContact CG2-CG2 3.63Å; L294-V298 VanDerWaalsContact O-CG2 3.25Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 3.34Å; A295-V298 PolarHBondContact O-N 3.14Å; E296-V298 VanDerWaalsContact C-N 3.3Å; E296-V298 PolarHBondContact O-N 2.56Å; V298-I302 HydrophobicContact CG1-CD1 3.85Å; V298-I302 VanDerWaalsContact O-CG1 3.32Å; V298-I302 WeakPolarHBondContact O-CG1 3.3Å; V298-I302 PolarHBondContact O-N 3.43Å; V298-I302 VanDerWaalsContact O-N 3.15Å; V298-I318 HydrophobicContact CG1-CD1 3.98Å; V298-L338 HydrophobicContact CB-CD1 4.28Å; V298-L338 HydrophobicContact CG1-CD1 4.01Å; V298-L338 HydrophobicContact CG1-CD2 3.81Å |
| 299 | A | 98.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | A295 E296 I302 L303 L338 M341 I342 | A295-A299 PolarHBondContact O-N 2.85Å; E296-A299 PolarHBondContact O-N 2.88Å; A299-I302 PolarHBondContact O-N 2.99Å; A299-L303 VanDerWaalsContact O-CB 3.28Å; A299-L303 WeakPolarHBondContact O-CB 3.31Å; A299-L303 WeakPolarHBondContact O-CG 3.34Å; A299-L303 PolarHBondContact O-N 3.13Å; A299-L338 HydrophobicContact CB-CD1 3.82Å; A299-M341 HydrophobicContact CB-CB 4.05Å; A299-M341 HydrophobicContact CB-SD 4.1Å; A299-I342 HydrophobicContact CB-CD1 4.13Å |
| 300 | Y | 98.6 | Very high | 97.7 | Very high | 84 Ų | 84 | 57.3 Ų | 57.3 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 179.9 | 177.2 | -109.7 | 0 | 0 | 0 | 112.4 | V175 M292 E296 I302 E304 K305 | V175-Y300 HydrophobicContact CG2-CD1 3.98Å; V175-Y300 HydrophobicContact CG2-CE1 4.34Å; M292-Y300 HydrophobicContact CE-CD1 3.55Å; M292-Y300 HydrophobicContact CE-CD2 4.5Å; M292-Y300 HydrophobicContact CE-CE1 3.94Å; M292-Y300 HydrophobicContact CE-CG 3.84Å; M292-Y300 HydrophobicContact SD-CD1 4.5Å; M292-Y300 HydrophobicContact SD-CG 4.2Å; E296-Y300 WeakPolarHBondContact O-CB 3.29Å; E296-Y300 PolarHBondContact O-N 3.26Å; Y300-I302 VanDerWaalsContact C-N 3.33Å; Y300-I302 PolarHBondContact O-N 3.39Å; Y300-E304 HydrophobicContact CD2-CB 3.75Å; Y300-E304 HydrophobicContact CD2-CG 3.82Å; Y300-E304 HydrophobicContact CE2-CB 3.98Å; Y300-E304 HydrophobicContact CE2-CG 4.33Å; Y300-E304 WeakPolarHBondContact O-CB 3.48Å; Y300-E304 PolarHBondContact O-N 3.38Å; Y300-K305 HydrophobicContact CD1-CG 4.44Å; Y300-K305 HydrophobicContact CE1-CD 4.48Å; Y300-K305 VanDerWaalsContact CE1-CE 3.42Å; Y300-K305 HydrophobicContact CE1-CG 4.17Å; Y300-K305 PolarHBondContact O-N 3.36Å; Y300-K305 WeakPolarHBondContact OH-CE 3.31Å; Y300-K305 PolarHBondContact OH-NZ 2.9Å |
| 301 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -55.5 | -47.7 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | G173 I297 K305 C306 | G173-S301 WeakPolarHBondContact O-CB 3.38Å; G173-S301 PolarHBondContact O-OG 3.33Å; I297-S301 WeakPolarHBondContact O-CB 3.39Å; I297-S301 PolarHBondContact O-N 3.23Å; S301-K305 WeakPolarHBondContact O-CB 3.46Å; S301-C306 PolarHBondContact O-N 2.93Å; S301-C306 PolarHBondContact O-SG 3.12Å |
| 302 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -81.2 | -42.8 | -172.9 | -60 | 167.8 | 0 | 0 | 0 | 112.5 | V150 V298 A299 Y300 C306 A311 L314 L315 I318 | V150-I302 HydrophobicContact CG2-CD1 3.79Å; V150-I302 HydrophobicContact CG2-CG1 3.85Å; V298-I302 HydrophobicContact CG1-CD1 3.85Å; V298-I302 VanDerWaalsContact O-CG1 3.32Å; V298-I302 WeakPolarHBondContact O-CG1 3.3Å; V298-I302 PolarHBondContact O-N 3.43Å; V298-I302 VanDerWaalsContact O-N 3.15Å; A299-I302 PolarHBondContact O-N 2.99Å; Y300-I302 VanDerWaalsContact C-N 3.33Å; Y300-I302 PolarHBondContact O-N 3.39Å; I302-C306 WeakPolarHBondContact O-CB 3.39Å; I302-A311 HydrophobicContact CG2-CB 4.04Å; I302-L314 HydrophobicContact CD1-CB 4.46Å; I302-L314 HydrophobicContact CG1-CB 4.35Å; I302-L314 HydrophobicContact CG2-CB 3.91Å; I302-L314 HydrophobicContact CG2-CD1 4.23Å; I302-L315 HydrophobicContact CD1-CD2 3.75Å; I302-L315 HydrophobicContact CD1-CG 4.27Å; I302-L315 HydrophobicContact CG2-CD2 4.34Å; I302-L315 HydrophobicContact CG2-CG 4.02Å; I302-I318 HydrophobicContact CD1-CD1 4.33Å |
| 303 | L | 98.1 | Very high | 97.9 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -87.9 | -37.1 | -171.1 | -61.5 | -176.3 | 0 | 0 | 0 | 113.3 | A299 A311 L315 I342 | A299-L303 VanDerWaalsContact O-CB 3.28Å; A299-L303 WeakPolarHBondContact O-CB 3.31Å; A299-L303 WeakPolarHBondContact O-CG 3.34Å; A299-L303 PolarHBondContact O-N 3.13Å; L303-A311 HydrophobicContact CD2-CB 4.19Å; L303-L315 HydrophobicContact CD2-CD1 4.45Å; L303-I342 HydrophobicContact CD1-CD1 3.67Å; L303-I342 HydrophobicContact CD2-CD1 4.38Å; L303-I342 HydrophobicContact CG-CD1 4.08Å |
| 304 | E | 97.8 | Very high | 97.9 | Very high | 137 Ų | 137 | 47.4 Ų | 47.4 | 64% | 0.64 | 22% | 0.223 | S | C | * | . | I | π-helix | trans | -102 | -25.9 | -172 | -58.1 | -55.8 | 140.1 | 0 | 0 | 113 | Y300 | Y300-E304 HydrophobicContact CD2-CB 3.75Å; Y300-E304 HydrophobicContact CD2-CG 3.82Å; Y300-E304 HydrophobicContact CE2-CB 3.98Å; Y300-E304 HydrophobicContact CE2-CG 4.33Å; Y300-E304 WeakPolarHBondContact O-CB 3.48Å; Y300-E304 PolarHBondContact O-N 3.38Å |
| 305 | K | 98.3 | Very high | 97.9 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 34% | 0.335 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -105.7 | -34.9 | -176.6 | -60.8 | -60.4 | 178.5 | -170.5 | 0 | 114.5 | Q172 Y300 S301 | Q172-K305 WeakPolarHBondContact CG-O 3.49Å; Q172-K305 VanDerWaalsContact O-CB 3.28Å; Q172-K305 WeakPolarHBondContact O-CB 3.14Å; Q172-K305 WeakPolarHBondContact O-CG 3.48Å; Y300-K305 HydrophobicContact CD1-CG 4.44Å; Y300-K305 HydrophobicContact CE1-CD 4.48Å; Y300-K305 VanDerWaalsContact CE1-CE 3.42Å; Y300-K305 HydrophobicContact CE1-CG 4.17Å; Y300-K305 PolarHBondContact O-N 3.36Å; Y300-K305 WeakPolarHBondContact OH-CE 3.31Å; Y300-K305 PolarHBondContact OH-NZ 2.9Å; S301-K305 WeakPolarHBondContact O-CB 3.46Å |
| 306 | C | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -82.3 | 152.2 | 176.9 | -62 | 0 | 0 | 0 | 0 | 111.5 | P163 S301 I302 R308 L314 | P163-C306 WeakPolarHBondContact CG-SG 3.45Å; S301-C306 PolarHBondContact O-N 2.93Å; S301-C306 PolarHBondContact O-SG 3.12Å; I302-C306 WeakPolarHBondContact O-CB 3.39Å; C306-R308 PolarHBondContact O-N 3.09Å; C306-L314 HydrophobicContact CB-CD1 3.98Å |
| 307 | P | 97.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 32% | 0.318 | 22% | 0.217 | S | C | . | . | trans | -52.1 | 133.6 | 167.1 | -25.9 | 34.3 | 0 | 0 | 0 | 111.6 | Q309 M310 | P307-Q309 PolarHBondContact O-N 3.49Å; P307-M310 HydrophobicContact CB-CG 4.35Å; P307-M310 HydrophobicContact CB-SD 4.39Å; P307-M310 HydrophobicContact CG-CE 4.14Å; P307-M310 HydrophobicContact CG-SD 4.06Å; P307-M310 WeakPolarHBondContact O-CB 3.09Å; P307-M310 PolarHBondContact O-N 3.38Å | ||
| 308 | R | 95.7 | Very high | 97.9 | Very high | 206 Ų | 206 | 45.5 Ų | 45.5 | 78% | 0.777 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30.8 | -172.7 | -70.6 | -177.3 | 175.4 | 173.5 | -1.2 | 114.1 | C306 M310 A311 | C306-R308 PolarHBondContact O-N 3.09Å; R308-M310 PolarHBondContact O-N 2.75Å; R308-A311 WeakPolarHBondContact O-CB 3.43Å; R308-A311 PolarHBondContact O-N 3.19Å |
| 309 | Q | 96.3 | Very high | 97.8 | Very high | 152 Ų | 152 | 45.8 Ų | 45.8 | 71% | 0.71 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.1 | 179.8 | -59.3 | 81.4 | -1.5 | 0 | 0 | 112.6 | P307 | P307-Q309 PolarHBondContact O-N 3.49Š|
| 310 | M | 97.4 | Very high | 97.8 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 18% | 0.177 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -26 | 179.5 | -62.7 | -178.1 | 174.8 | 0 | 0 | 112.5 | Y165 V170 P307 R308 I313 L314 | Y165-M310 HydrophobicContact CD1-CE 3.82Å; Y165-M310 HydrophobicContact CD2-CE 4.24Å; Y165-M310 HydrophobicContact CD2-CG 4.03Å; Y165-M310 HydrophobicContact CD2-SD 4.18Å; Y165-M310 HydrophobicContact CE1-CE 4.39Å; Y165-M310 HydrophobicContact CE2-CG 4.27Å; Y165-M310 HydrophobicContact CG-CE 3.74Å; Y165-M310 HydrophobicContact CG-CG 4.46Å; Y165-M310 HydrophobicContact CG-SD 4.09Å; V170-M310 HydrophobicContact CG2-SD 4.1Å; P307-M310 HydrophobicContact CB-CG 4.35Å; P307-M310 HydrophobicContact CB-SD 4.39Å; P307-M310 HydrophobicContact CG-CE 4.14Å; P307-M310 HydrophobicContact CG-SD 4.06Å; P307-M310 WeakPolarHBondContact O-CB 3.09Å; P307-M310 PolarHBondContact O-N 3.38Å; R308-M310 PolarHBondContact O-N 2.75Å; M310-I313 WeakPolarHBondContact O-CB 3.46Å; M310-I313 PolarHBondContact O-N 3.16Å; M310-L314 HydrophobicContact CB-CD1 3.78Å; M310-L314 HydrophobicContact CB-CG 4.09Å; M310-L314 WeakPolarHBondContact O-CG 3.2Å; M310-L314 PolarHBondContact O-N 3.05Å |
| 311 | A | 97.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -47.2 | -51.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | I302 L303 R308 I313 L314 L315 Y346 | I302-A311 HydrophobicContact CG2-CB 4.04Å; L303-A311 HydrophobicContact CD2-CB 4.19Å; R308-A311 WeakPolarHBondContact O-CB 3.43Å; R308-A311 PolarHBondContact O-N 3.19Å; A311-I313 VanDerWaalsContact C-N 3.27Å; A311-I313 PolarHBondContact O-N 2.89Å; A311-L314 PolarHBondContact O-N 2.97Å; A311-L315 HydrophobicContact CB-CD1 4.47Å; A311-L315 VanDerWaalsContact O-CB 3.32Å; A311-L315 WeakPolarHBondContact O-CB 3.5Å; A311-L315 WeakPolarHBondContact O-CD1 3.35Å; A311-L315 VanDerWaalsContact O-CG 3.23Å; A311-L315 WeakPolarHBondContact O-CG 3.26Å; A311-L315 PolarHBondContact O-N 2.95Å; A311-Y346 HydrophobicContact CB-CE2 4.26Å |
| 312 | P | 97.4 | Very high | 97.8 | Very high | 54 Ų | 54 | 42 Ų | 42 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.3 | -32.3 | -180 | 23.4 | -34.8 | 0 | 0 | 0 | 113.6 | N316 Y346 | P312-N316 WeakPolarHBondContact O-CB 3.46Å; P312-N316 PolarHBondContact O-N 2.88Å; P312-Y346 HydrophobicContact CB-CD1 3.93Å; P312-Y346 HydrophobicContact CB-CE1 4.15Å; P312-Y346 HydrophobicContact CG-CE1 4.4Å |
| 313 | I | 97.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74.4 | -47.9 | 178.4 | -65.9 | 166.8 | 0 | 0 | 0 | 109.7 | P147 Y165 M310 A311 N316 N317 | P147-I313 HydrophobicContact CG-CD1 4.05Å; P147-I313 HydrophobicContact CG-CG2 3.88Å; Y165-I313 HydrophobicContact CE2-CD1 3.88Å; M310-I313 WeakPolarHBondContact O-CB 3.46Å; M310-I313 PolarHBondContact O-N 3.16Å; A311-I313 VanDerWaalsContact C-N 3.27Å; A311-I313 PolarHBondContact O-N 2.89Å; I313-N316 PolarHBondContact O-N 2.87Å; I313-N317 PolarHBondContact O-N 2.76Å; I313-N317 PolarHBondContact O-ND2 3.05Å |
| 314 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | -177.4 | -68.1 | -179.3 | 0 | 0 | 0 | 111.8 | C149 V150 P163 I302 C306 M310 A311 N316 N317 | C149-L314 WeakPolarHBondContact O-CD2 3.43Å; V150-L314 HydrophobicContact CG2-CB 3.71Å; V150-L314 HydrophobicContact CG2-CD1 4.46Å; V150-L314 HydrophobicContact CG2-CD2 3.94Å; V150-L314 HydrophobicContact CG2-CG 4.23Å; P163-L314 HydrophobicContact CB-CD1 4.03Å; P163-L314 HydrophobicContact CB-CD2 4.4Å; I302-L314 HydrophobicContact CD1-CB 4.46Å; I302-L314 HydrophobicContact CG1-CB 4.35Å; I302-L314 HydrophobicContact CG2-CB 3.91Å; I302-L314 HydrophobicContact CG2-CD1 4.23Å; C306-L314 HydrophobicContact CB-CD1 3.98Å; M310-L314 HydrophobicContact CB-CD1 3.78Å; M310-L314 HydrophobicContact CB-CG 4.09Å; M310-L314 WeakPolarHBondContact O-CG 3.2Å; M310-L314 PolarHBondContact O-N 3.05Å; A311-L314 PolarHBondContact O-N 2.97Å; L314-N316 VanDerWaalsContact C-N 3.25Å; L314-N316 PolarHBondContact O-N 3.23Å; L314-N317 CarbonylContact O-C 3.46Å; L314-N317 PolarHBondContact O-N 3Å |
| 315 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -31.6 | 177.8 | -71.6 | 164.9 | 0 | 0 | 0 | 112.9 | I302 L303 A311 N317 I342 Y346 N347 I348 R349 | I302-L315 HydrophobicContact CD1-CD2 3.75Å; I302-L315 HydrophobicContact CD1-CG 4.27Å; I302-L315 HydrophobicContact CG2-CD2 4.34Å; I302-L315 HydrophobicContact CG2-CG 4.02Å; L303-L315 HydrophobicContact CD2-CD1 4.45Å; A311-L315 HydrophobicContact CB-CD1 4.47Å; A311-L315 VanDerWaalsContact O-CB 3.32Å; A311-L315 WeakPolarHBondContact O-CB 3.5Å; A311-L315 WeakPolarHBondContact O-CD1 3.35Å; A311-L315 VanDerWaalsContact O-CG 3.23Å; A311-L315 WeakPolarHBondContact O-CG 3.26Å; A311-L315 PolarHBondContact O-N 2.95Å; L315-N317 VanDerWaalsContact C-N 3.25Å; L315-N317 PolarHBondContact O-N 3.01Å; L315-I342 HydrophobicContact CD1-CD1 4.37Å; L315-I342 HydrophobicContact CD1-CG2 3.55Å; L315-I342 HydrophobicContact CD2-CD1 3.61Å; L315-I342 HydrophobicContact CD2-CG1 3.86Å; L315-I342 HydrophobicContact CD2-CG2 4.22Å; L315-I342 HydrophobicContact CG-CG2 4.48Å; L315-Y346 HydrophobicContact CD1-CD2 3.69Å; L315-Y346 HydrophobicContact CD1-CG 4Å; L315-N347 CarbonylContact C-O 3.55Å; L315-N347 WeakPolarHBondContact CB-O 3.28Å; L315-I348 WeakPolarHBondContact O-CA 3.38Å; L315-R349 PolarHBondContact O-N 2.72Å |
| 316 | N | 97.2 | Very high | 97.6 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 1.2 | 178.2 | -164.3 | 49.3 | 0 | 0 | 0 | 113.3 | P312 I313 L314 R349 | P312-N316 WeakPolarHBondContact O-CB 3.46Å; P312-N316 PolarHBondContact O-N 2.88Å; I313-N316 PolarHBondContact O-N 2.87Å; L314-N316 VanDerWaalsContact C-N 3.25Å; L314-N316 PolarHBondContact O-N 3.23Å; N316-R349 WeakPolarHBondContact O-CB 3.4Å |
| 317 | N | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -142.4 | 51.7 | -174.5 | -68.8 | -68.4 | 0 | 0 | 0 | 111.9 | Y139 Q146 G148 C149 V150 I313 L314 L315 | Y139-N317 HydrophobicContact CE1-CB 4.22Å; Y139-N317 PolarHBondContact OH-OD1 2.94Å; Q146-N317 VanDerWaalsContact CG-OD1 3.31Å; Q146-N317 WeakPolarHBondContact CG-OD1 3.41Å; Q146-N317 PolarHBondContact OE1-ND2 3.14Å; Q146-N317 PolarHBondContact OE1-OD1 2.92Å; G148-N317 WeakPolarHBondContact O-CB 3.28Å; G148-N317 PolarHBondContact O-ND2 3.13Å; C149-N317 CarbonylContact C-O 3.57Å; C149-N317 WeakPolarHBondContact CA-O 3.3Å; C149-N317 HydrophobicContact CB-CB 3.86Å; C149-N317 WeakPolarHBondContact CB-O 3.44Å; V150-N317 PolarHBondContact N-O 3.25Å; I313-N317 PolarHBondContact O-N 2.76Å; I313-N317 PolarHBondContact O-ND2 3.05Å; L314-N317 CarbonylContact O-C 3.46Å; L314-N317 PolarHBondContact O-N 3Å; L315-N317 VanDerWaalsContact C-N 3.25Å; L315-N317 PolarHBondContact O-N 3.01Å | ||
| 318 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.1 | 175.2 | -56.3 | 172.2 | 0 | 0 | 0 | 108.9 | V150 V152 V298 I302 L320 L338 I348 R349 I350 K351 | V150-I318 HydrophobicContact CB-CG1 4.33Å; V150-I318 CarbonylContact O-C 3.6Å; V150-I318 WeakPolarHBondContact O-CA 3.48Å; V152-I318 HydrophobicContact CG2-CG2 3.74Å; V298-I318 HydrophobicContact CG1-CD1 3.98Å; I302-I318 HydrophobicContact CD1-CD1 4.33Å; I318-L320 HydrophobicContact CG2-CD2 4.35Å; I318-L338 HydrophobicContact CD1-CD2 3.68Å; I318-I348 HydrophobicContact CD1-CG2 4.34Å; I318-R349 PolarHBondContact N-O 3.22Å; I318-I350 HydrophobicContact CB-CB 4.45Å; I318-I350 HydrophobicContact CB-CG1 3.93Å; I318-I350 HydrophobicContact CD1-CG1 3.99Å; I318-I350 HydrophobicContact CG2-CG1 4.11Å; I318-I350 HydrophobicContact CG2-CG2 4.28Å; I318-I350 CarbonylContact O-C 3.58Å; I318-I350 WeakPolarHBondContact O-CA 3.4Å; I318-K351 PolarHBondContact O-N 2.81Å |
| 319 | I | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.6 | 178.5 | -54.1 | 122.5 | 0 | 0 | 0 | 109.6 | Y139 C149 V150 V151 V152 K351 A353 | Y139-I319 HydrophobicContact CD1-CD1 3.49Å; Y139-I319 VanDerWaalsContact CD1-CD1 3.49Å; Y139-I319 HydrophobicContact CD1-CG1 4.37Å; Y139-I319 HydrophobicContact CD2-CD1 3.33Å; Y139-I319 HydrophobicContact CD2-CG1 3.33Å; Y139-I319 HydrophobicContact CE1-CD1 3.91Å; Y139-I319 HydrophobicContact CE2-CD1 3.76Å; Y139-I319 HydrophobicContact CE2-CG1 3.56Å; Y139-I319 HydrophobicContact CG-CD1 3.16Å; Y139-I319 HydrophobicContact CG-CG1 3.76Å; C149-I319 HydrophobicContact CB-CD1 3.57Å; V150-I319 PolarHBondContact O-N 3Å; V151-I319 HydrophobicContact CG2-CD1 4.5Å; V152-I319 PolarHBondContact N-O 3.12Å; I319-K351 CarbonylContact C-O 3.52Å; I319-K351 VanDerWaalsContact CA-O 3.31Å; I319-K351 WeakPolarHBondContact CA-O 3.31Å; I319-A353 HydrophobicContact CG2-CB 4.44Å |
| 320 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.2 | 174.7 | -53.6 | -171.7 | 0 | 0 | 0 | 109.7 | V152 I318 C325 I330 Q331 L334 I350 K351 L352 A353 | V152-L320 HydrophobicContact CB-CD2 3.65Å; V152-L320 HydrophobicContact CG1-CD2 4.03Å; V152-L320 HydrophobicContact CG2-CD2 4.01Å; I318-L320 HydrophobicContact CG2-CD2 4.35Å; L320-C325 HydrophobicContact CB-CB 4.1Å; L320-I330 HydrophobicContact CD1-CG2 4.34Å; L320-Q331 HydrophobicContact CD1-CB 4.03Å; L320-Q331 HydrophobicContact CD1-CG 4.38Å; L320-L334 HydrophobicContact CD1-CD2 4.44Å; L320-L334 HydrophobicContact CD2-CD2 3.7Å; L320-I350 HydrophobicContact CD1-CG2 3.65Å; L320-I350 HydrophobicContact CD2-CG2 3.84Å; L320-I350 HydrophobicContact CG-CG2 3.55Å; L320-K351 PolarHBondContact N-O 2.87Å; L320-L352 HydrophobicContact CB-CD1 3.83Å; L320-A353 WeakPolarHBondContact O-CB 3.37Å; L320-A353 PolarHBondContact O-N 2.88Å |
| 321 | T | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 164.6 | 176.9 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | V151 V152 D153 S154 C325 P356 N359 | V151-T321 HydrophobicContact CG1-CG2 3.65Å; V152-T321 PolarHBondContact O-N 2.9Å; D153-T321 CarbonylContact C-O 3.54Å; D153-T321 WeakPolarHBondContact CA-O 3.44Å; D153-T321 HydrophobicContact CB-CG2 3.74Å; S154-T321 PolarHBondContact N-O 3.28Å; T321-C325 PolarHBondContact O-SG 3.27Å; T321-P356 PolarHBondContact OG1-O 3.47Å; T321-P356 VanDerWaalsContact OG1-O 3.12Å; T321-N359 WeakPolarHBondContact OG1-CB 3.49Å |
| 322 | G | 97.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 8% | 0.082 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 96.9 | 163.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D153 S154 N324 C325 P356 | D153-G322 WeakPolarHBondContact OD1-CA 3.42Å; S154-G322 CarbonylContact O-C 3.6Å; G322-N324 PolarHBondContact O-N 3.36Å; G322-C325 WeakPolarHBondContact O-CB 3.2Å; G322-C325 PolarHBondContact O-N 3.29Å; G322-C325 VanDerWaalsContact O-N 3.09Å; G322-P356 WeakPolarHBondContact CA-O 3.36Å; G322-P356 PolarHBondContact N-O 3.43Å; G322-P356 WeakPolarHBondContact O-CB 3.14Å |
| 323 | G | 96.7 | Very high | 98 | Very high | 37 Ų | 37 | 32.1 Ų | 32.1 | 38% | 0.381 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -62.6 | -35.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S154 C325 L326 | S154-G323 PolarHBondContact O-N 3.4Å; G323-C325 PolarHBondContact O-N 3.18Å; G323-L326 WeakPolarHBondContact O-CB 3.3Å; G323-L326 PolarHBondContact O-N 3.16Å |
| 324 | N | 97.9 | Very high | 98 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -72.5 | -16.5 | 179.3 | -55.7 | -34.8 | 0 | 0 | 0 | 112 | S154 G155 G181 L281 G322 L326 L327 | S154-N324 PolarHBondContact O-N 3.06Å; S154-N324 PolarHBondContact O-ND2 2.98Å; S154-N324 WeakPolarHBondContact OG-CB 3.31Å; S154-N324 PolarHBondContact OG-ND2 2.84Å; G155-N324 PolarHBondContact O-ND2 2.88Å; G181-N324 VanDerWaalsContact CA-OD1 3.3Å; G181-N324 WeakPolarHBondContact CA-OD1 3.25Å; G181-N324 PolarHBondContact N-ND2 2.99Å; G181-N324 PolarHBondContact N-OD1 2.89Å; L281-N324 HydrophobicContact CD1-CB 4.4Å; G322-N324 PolarHBondContact O-N 3.36Å; N324-L326 PolarHBondContact O-N 3.42Å; N324-L327 HydrophobicContact CB-CD1 4.14Å; N324-L327 VanDerWaalsContact O-CB 3.25Å; N324-L327 WeakPolarHBondContact O-CB 3.34Å; N324-L327 WeakPolarHBondContact O-CD1 3.35Å; N324-L327 VanDerWaalsContact O-CG 3.26Å; N324-L327 WeakPolarHBondContact O-CG 3.34Å; N324-L327 PolarHBondContact O-N 3.32Å |
| 325 | C | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -71.4 | -9.5 | 174.8 | -63.8 | 0 | 0 | 0 | 0 | 113.1 | L320 T321 G322 G323 L327 I330 L352 P356 | L320-C325 HydrophobicContact CB-CB 4.1Å; T321-C325 PolarHBondContact O-SG 3.27Å; G322-C325 WeakPolarHBondContact O-CB 3.2Å; G322-C325 PolarHBondContact O-N 3.29Å; G322-C325 VanDerWaalsContact O-N 3.09Å; G323-C325 PolarHBondContact O-N 3.18Å; C325-L327 VanDerWaalsContact C-N 3.27Å; C325-I330 WeakPolarHBondContact O-CG2 3.34Å; C325-L352 HydrophobicContact CB-CD1 3.68Å; C325-L352 WeakPolarHBondContact O-CD1 3.43Å; C325-P356 HydrophobicContact CB-CB 4.26Å |
| 326 | L | 97.5 | Very high | 98 | Very high | 100 Ų | 100 | 38.5 Ų | 38.5 | 52% | 0.524 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -76.4 | -11.5 | 167.3 | -64.9 | 175.1 | 0 | 0 | 0 | 113.4 | G323 N324 K328 P356 I357 | G323-L326 WeakPolarHBondContact O-CB 3.3Å; G323-L326 PolarHBondContact O-N 3.16Å; N324-L326 PolarHBondContact O-N 3.42Å; L326-K328 PolarHBondContact O-N 3.19Å; L326-K328 VanDerWaalsContact O-N 3.1Å; L326-P356 HydrophobicContact CD2-CB 4.46Å; L326-P356 HydrophobicContact CD2-CG 3.95Å; L326-I357 HydrophobicContact CD1-CD1 3.48Å; L326-I357 VanDerWaalsContact CD1-CD1 3.48Å; L326-I357 HydrophobicContact CD1-CG1 3.84Å |
| 327 | L | 98.2 | Very high | 98 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -62.4 | 116.3 | 174.8 | -69.1 | 166.4 | 0 | 0 | 0 | 109.7 | M184 C214 V216 P278 L281 N324 C325 G329 I330 | M184-L327 HydrophobicContact CE-CD1 4.19Å; M184-L327 HydrophobicContact SD-CD1 4.1Å; C214-L327 HydrophobicContact CB-CD2 4Å; V216-L327 HydrophobicContact CG2-CB 3.99Å; V216-L327 HydrophobicContact CG2-CD1 4.3Å; P278-L327 HydrophobicContact CB-CD1 4.16Å; P278-L327 HydrophobicContact CG-CD1 4.39Å; P278-L327 HydrophobicContact CG-CD2 4.23Å; L281-L327 HydrophobicContact CD1-CD1 4.38Å; N324-L327 HydrophobicContact CB-CD1 4.14Å; N324-L327 VanDerWaalsContact O-CB 3.25Å; N324-L327 WeakPolarHBondContact O-CB 3.34Å; N324-L327 WeakPolarHBondContact O-CD1 3.35Å; N324-L327 VanDerWaalsContact O-CG 3.26Å; N324-L327 WeakPolarHBondContact O-CG 3.34Å; N324-L327 PolarHBondContact O-N 3.32Å; C325-L327 VanDerWaalsContact C-N 3.27Å; L327-G329 PolarHBondContact O-N 3.39Å; L327-I330 WeakPolarHBondContact O-CB 3.16Å; L327-I330 WeakPolarHBondContact O-CG2 3.32Å; L327-I330 PolarHBondContact O-N 3.02Å; L327-I330 VanDerWaalsContact O-N 3.16Å |
| 328 | K | 98 | Very high | 98.1 | Very high | 172 Ų | 172 | 37.9 Ų | 37.9 | 75% | 0.748 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 133.1 | 178 | -178.2 | 179.2 | 178.8 | 179.2 | 0 | 110.4 | V216 L326 | V216-K328 PolarHBondContact N-O 3.16Å; L326-K328 PolarHBondContact O-N 3.19Å; L326-K328 VanDerWaalsContact O-N 3.1Å |
| 329 | G | 97.8 | Very high | 98 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 22% | 0.216 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -13 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L327 Q331 K332 R333 | L327-G329 PolarHBondContact O-N 3.39Å; G329-Q331 VanDerWaalsContact C-N 3.34Å; G329-Q331 PolarHBondContact O-N 2.66Å; G329-K332 PolarHBondContact O-N 3.37Å; G329-R333 WeakPolarHBondContact O-CB 3.31Å; G329-R333 PolarHBondContact O-N 3.12Å |
| 330 | I | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.8 | -44 | -174.7 | -167 | 171.6 | 0 | 0 | 0 | 113 | V216 L281 F282 L294 L320 C325 L327 K332 L334 | V216-I330 HydrophobicContact CB-CB 4.42Å; V216-I330 HydrophobicContact CG2-CB 3.92Å; V216-I330 HydrophobicContact CG2-CG1 4.2Å; L281-I330 HydrophobicContact CD1-CD1 3.96Å; F282-I330 HydrophobicContact CZ-CG1 4.27Å; L294-I330 HydrophobicContact CD2-CD1 4.42Å; L320-I330 HydrophobicContact CD1-CG2 4.34Å; C325-I330 WeakPolarHBondContact O-CG2 3.34Å; L327-I330 WeakPolarHBondContact O-CB 3.16Å; L327-I330 WeakPolarHBondContact O-CG2 3.32Å; L327-I330 PolarHBondContact O-N 3.02Å; L327-I330 VanDerWaalsContact O-N 3.16Å; I330-K332 PolarHBondContact O-N 3.12Å; I330-L334 VanDerWaalsContact O-CB 3.27Å; I330-L334 WeakPolarHBondContact O-CB 3.49Å; I330-L334 PolarHBondContact O-N 2.91Å |
| 331 | Q | 97.9 | Very high | 98 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 179.8 | -176.2 | -173.8 | 5.7 | 0 | 0 | 111.9 | L320 G329 W335 I350 | L320-Q331 HydrophobicContact CD1-CB 4.03Å; L320-Q331 HydrophobicContact CD1-CG 4.38Å; G329-Q331 VanDerWaalsContact C-N 3.34Å; G329-Q331 PolarHBondContact O-N 2.66Å; Q331-W335 PolarHBondContact O-N 3.42Å; Q331-I350 HydrophobicContact CG-CB 4.33Å; Q331-I350 HydrophobicContact CG-CG2 3.93Å; Q331-I350 PolarHBondContact NE2-O 3.41Å |
| 332 | K | 98 | Very high | 98 | Very high | 111 Ų | 111 | 49.1 Ų | 49.1 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.7 | -40.3 | -177.5 | -177.4 | 166.3 | 168.1 | -156.6 | 0 | 111.7 | E218 G329 I330 W335 T336 | E218-K332 VanDerWaalsContact CD-NZ 3.3Å; E218-K332 HydrophobicContact CG-CD 4.47Å; E218-K332 WeakPolarHBondContact OE1-CD 3.41Å; E218-K332 IonicContact OE1-NZ 3.31Å; E218-K332 PolarHBondContact OE1-NZ 3.44Å; E218-K332 WeakPolarHBondContact OE2-CE 3.43Å; E218-K332 IonicContact OE2-NZ 2.62Å; E218-K332 PolarHBondContact OE2-NZ 3.11Å; G329-K332 PolarHBondContact O-N 3.37Å; I330-K332 PolarHBondContact O-N 3.12Å; K332-W335 PolarHBondContact O-N 3.21Å; K332-T336 WeakPolarHBondContact O-CB 3.26Å; K332-T336 PolarHBondContact O-N 3.13Å; K332-T336 PolarHBondContact O-OG1 2.81Å |
| 333 | R | 98.1 | Very high | 97.9 | Very high | 13 Ų | 13 | 51 Ų | 51 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 174 | 178 | 62.1 | 175.5 | -73.6 | -8.1 | 111.1 | V216 S217 E279 F282 G329 W335 T336 E337 | V216-R333 HydrophobicContact CG1-CB 3.41Å; V216-R333 VanDerWaalsContact CG1-CB 3.41Å; V216-R333 HydrophobicContact CG1-CG 3.49Å; V216-R333 VanDerWaalsContact CG1-CG 3.49Å; S217-R333 VanDerWaalsContact O-CD 3.32Å; S217-R333 WeakPolarHBondContact O-CD 3.31Å; S217-R333 PolarHBondContact O-NH1 3.2Å; E279-R333 IonicContact OE1-CZ 3.61Å; E279-R333 IonicContact OE1-NH1 3.65Å; E279-R333 IonicContact OE1-NH2 2.68Å; E279-R333 PolarHBondContact OE1-NH2 2.61Å; E279-R333 IonicContact OE2-CZ 3.47Å; E279-R333 IonicContact OE2-NH1 2.76Å; E279-R333 PolarHBondContact OE2-NH1 3.46Å; E279-R333 IonicContact OE2-NH2 3.28Å; E279-R333 PolarHBondContact OE2-NH2 3.25Å; F282-R333 HydrophobicContact CD1-CG 4.07Å; F282-R333 HydrophobicContact CD2-CG 4.2Å; F282-R333 HydrophobicContact CE1-CB 4.4Å; F282-R333 HydrophobicContact CE1-CG 3.66Å; F282-R333 HydrophobicContact CE2-CB 4.48Å; F282-R333 HydrophobicContact CE2-CG 3.81Å; F282-R333 HydrophobicContact CG-CG 4.32Å; F282-R333 HydrophobicContact CZ-CB 4Å; F282-R333 HydrophobicContact CZ-CG 3.51Å; G329-R333 WeakPolarHBondContact O-CB 3.31Å; G329-R333 PolarHBondContact O-N 3.12Å; R333-W335 VanDerWaalsContact C-N 3.33Å; R333-W335 PolarHBondContact O-N 3.06Å; R333-T336 PolarHBondContact O-N 2.86Å; R333-T336 VanDerWaalsContact O-N 3.12Å; R333-E337 IonicContact CZ-OE1 3.09Å; R333-E337 IonicContact NE-OE1 2.71Å; R333-E337 PolarHBondContact NE-OE1 3.34Å; R333-E337 IonicContact NH2-OE1 2.63Å; R333-E337 PolarHBondContact NH2-OE1 2.61Å; R333-E337 PolarHBondContact O-N 3.39Å |
| 334 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 177.2 | -179 | 60.3 | 0 | 0 | 0 | 111.7 | F282 L294 A295 L320 I330 T336 E337 L338 I350 | F282-L334 HydrophobicContact CE1-CB 4.25Å; F282-L334 HydrophobicContact CE1-CD1 4.32Å; F282-L334 HydrophobicContact CZ-CB 4.5Å; L294-L334 HydrophobicContact CB-CD1 4.48Å; L294-L334 HydrophobicContact CD2-CD1 4.23Å; L294-L334 HydrophobicContact CD2-CD2 4.4Å; L294-L334 HydrophobicContact CG-CD1 3.89Å; A295-L334 HydrophobicContact CB-CD1 3.95Å; L320-L334 HydrophobicContact CD1-CD2 4.44Å; L320-L334 HydrophobicContact CD2-CD2 3.7Å; I330-L334 VanDerWaalsContact O-CB 3.27Å; I330-L334 WeakPolarHBondContact O-CB 3.49Å; I330-L334 PolarHBondContact O-N 2.91Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 3.27Å; L334-E337 PolarHBondContact O-N 2.85Å; L334-L338 WeakPolarHBondContact O-CB 3.42Å; L334-L338 PolarHBondContact O-N 2.84Å; L334-I350 HydrophobicContact CB-CD1 4.17Å; L334-I350 HydrophobicContact CD2-CD1 3.97Å; L334-I350 HydrophobicContact CD2-CG2 4.38Å; L334-I350 HydrophobicContact CG-CD1 3.76Å |
| 335 | W | 98.4 | Very high | 97.8 | Very high | 116 Ų | 116 | 63.7 Ų | 63.7 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 175.7 | -170.8 | 91.7 | 0 | 0 | 0 | 112.1 | Q331 K332 R333 L338 R339 I348 I350 | Q331-W335 PolarHBondContact O-N 3.42Å; K332-W335 PolarHBondContact O-N 3.21Å; R333-W335 VanDerWaalsContact C-N 3.33Å; R333-W335 PolarHBondContact O-N 3.06Å; W335-L338 PolarHBondContact O-N 3.46Å; W335-R339 HydrophobicContact CH2-CB 4.37Å; W335-R339 HydrophobicContact CH2-CG 4.2Å; W335-R339 HydrophobicContact CZ2-CG 4.43Å; W335-R339 HydrophobicContact CZ3-CB 4.36Å; W335-R339 WeakPolarHBondContact O-CB 3.44Å; W335-R339 PolarHBondContact O-N 3.03Å; W335-I348 PolarHBondContact NE1-O 3.05Å; W335-I350 HydrophobicContact CB-CD1 3.84Å; W335-I350 HydrophobicContact CG-CD1 4.46Å |
| 336 | T | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 66.4 Ų | 66.4 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | -176 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | K332 R333 L334 P340 | K332-T336 WeakPolarHBondContact O-CB 3.26Å; K332-T336 PolarHBondContact O-N 3.13Å; K332-T336 PolarHBondContact O-OG1 2.81Å; R333-T336 PolarHBondContact O-N 2.86Å; R333-T336 VanDerWaalsContact O-N 3.12Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 3.27Å; T336-P340 WeakPolarHBondContact O-CD 3.27Å |
| 337 | E | 97.9 | Very high | 97.8 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -80 | -32.2 | 176.8 | -71.5 | -163.7 | -178.4 | 0 | 0 | 113.5 | F282 H283 A295 R333 L334 P340 M341 | F282-E337 VanDerWaalsContact CD1-OE2 3.26Å; F282-E337 WeakPolarHBondContact CD1-OE2 3.47Å; H283-E337 IonicContact CE1-OE1 3.34Å; A295-E337 HydrophobicContact CB-CB 3.55Å; R333-E337 IonicContact CZ-OE1 3.09Å; R333-E337 IonicContact NE-OE1 2.71Å; R333-E337 PolarHBondContact NE-OE1 3.34Å; R333-E337 IonicContact NH2-OE1 2.63Å; R333-E337 PolarHBondContact NH2-OE1 2.61Å; R333-E337 PolarHBondContact O-N 3.39Å; L334-E337 PolarHBondContact O-N 2.85Å; E337-P340 WeakPolarHBondContact O-CD 3.39Å; E337-M341 WeakPolarHBondContact O-CE 3.5Å |
| 338 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.8 | -40.3 | 178.8 | -173.2 | 63.3 | 0 | 0 | 0 | 110.9 | A295 V298 A299 I318 L334 W335 M341 I342 I348 I350 | A295-L338 WeakPolarHBondContact O-CD1 3.18Å; V298-L338 HydrophobicContact CB-CD1 4.28Å; V298-L338 HydrophobicContact CG1-CD1 4.01Å; V298-L338 HydrophobicContact CG1-CD2 3.81Å; A299-L338 HydrophobicContact CB-CD1 3.82Å; I318-L338 HydrophobicContact CD1-CD2 3.68Å; L334-L338 WeakPolarHBondContact O-CB 3.42Å; L334-L338 PolarHBondContact O-N 2.84Å; W335-L338 PolarHBondContact O-N 3.46Å; L338-M341 WeakPolarHBondContact O-CB 3.38Å; L338-M341 PolarHBondContact O-N 3.05Å; L338-I342 HydrophobicContact CD1-CD1 3.96Å; L338-I342 HydrophobicContact CD1-CG1 3.96Å; L338-I342 HydrophobicContact CG-CD1 4.35Å; L338-I342 HydrophobicContact CG-CG1 3.84Å; L338-I342 WeakPolarHBondContact O-CG1 3.45Å; L338-I342 PolarHBondContact O-N 3.23Å; L338-I348 HydrophobicContact CD2-CD1 4.33Å; L338-I348 HydrophobicContact CD2-CG2 3.93Å; L338-I348 HydrophobicContact CG-CD1 4.11Å; L338-I350 HydrophobicContact CD2-CD1 4.4Å |
| 339 | R | 98 | Very high | 97.8 | Very high | 56 Ų | 56 | 65.7 Ų | 65.7 | 21% | 0.211 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -52.5 | -47.9 | -174 | -177.5 | 74.1 | -149.2 | 105.5 | -27.2 | 113.7 | W335 M341 I342 P343 E344 Y346 I348 | W335-R339 HydrophobicContact CH2-CB 4.37Å; W335-R339 HydrophobicContact CH2-CG 4.2Å; W335-R339 HydrophobicContact CZ2-CG 4.43Å; W335-R339 HydrophobicContact CZ3-CB 4.36Å; W335-R339 WeakPolarHBondContact O-CB 3.44Å; W335-R339 PolarHBondContact O-N 3.03Å; R339-M341 PolarHBondContact O-N 3.36Å; R339-I342 PolarHBondContact NH1-O 3.4Å; R339-I342 PolarHBondContact O-N 2.87Å; R339-P343 PolarHBondContact NH1-O 3.03Å; R339-P343 PolarHBondContact NH2-O 3.13Å; R339-E344 PolarHBondContact NH2-O 3.22Å; R339-Y346 PolarHBondContact NH2-O 2.8Å; R339-I348 HydrophobicContact CB-CD1 4.2Å |
| 340 | P | 98 | Very high | 97.8 | Very high | 110 Ų | 110 | 65.2 Ų | 65.2 | 71% | 0.714 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -62.3 | -23.9 | 177.3 | -24.5 | 34.6 | 0 | 0 | 0 | 114.9 | T336 E337 | T336-P340 WeakPolarHBondContact O-CD 3.27Å; E337-P340 WeakPolarHBondContact O-CD 3.39Å |
| 341 | M | 98 | Very high | 97.8 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -83.3 | -16.7 | -179.7 | -55.2 | 174.4 | -176.3 | 0 | 0 | 112.7 | A295 E296 A299 E337 L338 R339 | A295-M341 HydrophobicContact CB-CE 3.98Å; A295-M341 HydrophobicContact CB-SD 4.16Å; E296-M341 HydrophobicContact CG-CE 3.65Å; E296-M341 HydrophobicContact CG-SD 4.2Å; A299-M341 HydrophobicContact CB-CB 4.05Å; A299-M341 HydrophobicContact CB-SD 4.1Å; E337-M341 WeakPolarHBondContact O-CE 3.5Å; L338-M341 WeakPolarHBondContact O-CB 3.38Å; L338-M341 PolarHBondContact O-N 3.05Å; R339-M341 PolarHBondContact O-N 3.36Å |
| 342 | I | 98 | Very high | 97.8 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -104.1 | 138.5 | -172.7 | -60.4 | -51.5 | 0 | 0 | 0 | 110.2 | A299 L303 L315 L338 R339 Y346 I348 | A299-I342 HydrophobicContact CB-CD1 4.13Å; L303-I342 HydrophobicContact CD1-CD1 3.67Å; L303-I342 HydrophobicContact CD2-CD1 4.38Å; L303-I342 HydrophobicContact CG-CD1 4.08Å; L315-I342 HydrophobicContact CD1-CD1 4.37Å; L315-I342 HydrophobicContact CD1-CG2 3.55Å; L315-I342 HydrophobicContact CD2-CD1 3.61Å; L315-I342 HydrophobicContact CD2-CG1 3.86Å; L315-I342 HydrophobicContact CD2-CG2 4.22Å; L315-I342 HydrophobicContact CG-CG2 4.48Å; L338-I342 HydrophobicContact CD1-CD1 3.96Å; L338-I342 HydrophobicContact CD1-CG1 3.96Å; L338-I342 HydrophobicContact CG-CD1 4.35Å; L338-I342 HydrophobicContact CG-CG1 3.84Å; L338-I342 WeakPolarHBondContact O-CG1 3.45Å; L338-I342 PolarHBondContact O-N 3.23Å; R339-I342 PolarHBondContact NH1-O 3.4Å; R339-I342 PolarHBondContact O-N 2.87Å; I342-Y346 HydrophobicContact CG2-CD2 4.24Å; I342-I348 HydrophobicContact CB-CD1 3.82Å; I342-I348 HydrophobicContact CB-CG1 4.46Å; I342-I348 HydrophobicContact CG1-CD1 3.68Å; I342-I348 HydrophobicContact CG1-CG1 4.4Å; I342-I348 HydrophobicContact CG2-CD1 4.07Å; I342-I348 HydrophobicContact CG2-CG1 4.16Å |
| 343 | P | 96.8 | Very high | 97.8 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | trans | -51 | 145.6 | 174.6 | -28.7 | 34.9 | 0 | 0 | 0 | 114.2 | R339 Q345 Y346 | R339-P343 PolarHBondContact NH1-O 3.03Å; R339-P343 PolarHBondContact NH2-O 3.13Å; P343-Q345 VanDerWaalsContact CB-CD 3.44Å; P343-Q345 VanDerWaalsContact CB-NE2 3.33Å; P343-Q345 PolarHBondContact O-N 3.45Å; P343-Y346 HydrophobicContact CB-CD2 3.94Å; P343-Y346 HydrophobicContact CB-CE2 4.1Å; P343-Y346 HydrophobicContact CG-CD2 3.93Å; P343-Y346 HydrophobicContact CG-CE2 3.86Å; P343-Y346 PolarHBondContact O-N 3.3Å | ||
| 344 | E | 96.5 | Very high | 97.6 | Very high | 178 Ų | 178 | 69.5 Ų | 69.5 | 83% | 0.832 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -36.7 | -172.6 | -169.2 | 172.4 | -177.9 | 0 | 0 | 112.9 | R339 Y346 | R339-E344 PolarHBondContact NH2-O 3.22Å; E344-Y346 VanDerWaalsContact C-N 3.28Å; E344-Y346 PolarHBondContact O-N 3.46Å |
| 345 | Q | 96.2 | Very high | 97.5 | Very high | 132 Ų | 132 | 71.8 Ų | 71.8 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16 | -176.4 | 71.1 | -83.9 | 16.7 | 0 | 0 | 114.9 | P343 | P343-Q345 VanDerWaalsContact CB-CD 3.44Å; P343-Q345 VanDerWaalsContact CB-NE2 3.33Å; P343-Q345 PolarHBondContact O-N 3.45Å |
| 346 | Y | 97.6 | Very high | 97.4 | Very high | 60 Ų | 60 | 66.5 Ų | 66.5 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -93.2 | 130.4 | -179.4 | -59.7 | -33 | 0 | 0 | 0 | 111.2 | A311 P312 L315 R339 I342 P343 E344 | A311-Y346 HydrophobicContact CB-CE2 4.26Å; P312-Y346 HydrophobicContact CB-CD1 3.93Å; P312-Y346 HydrophobicContact CB-CE1 4.15Å; P312-Y346 HydrophobicContact CG-CE1 4.4Å; L315-Y346 HydrophobicContact CD1-CD2 3.69Å; L315-Y346 HydrophobicContact CD1-CG 4Å; R339-Y346 PolarHBondContact NH2-O 2.8Å; I342-Y346 HydrophobicContact CG2-CD2 4.24Å; P343-Y346 HydrophobicContact CB-CD2 3.94Å; P343-Y346 HydrophobicContact CB-CE2 4.1Å; P343-Y346 HydrophobicContact CG-CD2 3.93Å; P343-Y346 HydrophobicContact CG-CE2 3.86Å; P343-Y346 PolarHBondContact O-N 3.3Å; E344-Y346 VanDerWaalsContact C-N 3.28Å; E344-Y346 PolarHBondContact O-N 3.46Å |
| 347 | N | 97.3 | Very high | 97.4 | Very high | 121 Ų | 121 | 66 Ų | 66 | 65% | 0.647 | 32% | 0.323 | S | S | * | . | trans | -77.7 | 139 | 172.5 | -68.9 | -38.4 | 0 | 0 | 0 | 110.4 | L315 | L315-N347 CarbonylContact C-O 3.55Å; L315-N347 WeakPolarHBondContact CB-O 3.28Å | ||
| 348 | I | 98.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 64 Ų | 64 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | trans | -113.2 | 122.4 | 174.9 | -55.4 | 176.7 | 0 | 0 | 0 | 108.6 | L315 I318 W335 L338 R339 I342 I350 | L315-I348 WeakPolarHBondContact O-CA 3.38Å; I318-I348 HydrophobicContact CD1-CG2 4.34Å; W335-I348 PolarHBondContact NE1-O 3.05Å; L338-I348 HydrophobicContact CD2-CD1 4.33Å; L338-I348 HydrophobicContact CD2-CG2 3.93Å; L338-I348 HydrophobicContact CG-CD1 4.11Å; R339-I348 HydrophobicContact CB-CD1 4.2Å; I342-I348 HydrophobicContact CB-CD1 3.82Å; I342-I348 HydrophobicContact CB-CG1 4.46Å; I342-I348 HydrophobicContact CG1-CD1 3.68Å; I342-I348 HydrophobicContact CG1-CG1 4.4Å; I342-I348 HydrophobicContact CG2-CD1 4.07Å; I342-I348 HydrophobicContact CG2-CG1 4.16Å; I348-I350 HydrophobicContact CG2-CD1 4.2Å; I348-I350 HydrophobicContact CG2-CG1 4.1Å | ||
| 349 | R | 98.1 | Very high | 97.3 | Very high | 127 Ų | 127 | 64.6 Ų | 64.6 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | trans | -129.6 | 116.4 | 171.7 | -176 | -178.3 | -172.6 | -177.8 | 2.6 | 109.3 | L315 N316 I318 K351 | L315-R349 PolarHBondContact O-N 2.72Å; N316-R349 WeakPolarHBondContact O-CB 3.4Å; I318-R349 PolarHBondContact N-O 3.22Å; R349-K351 HydrophobicContact CG-CG 4.42Å; R349-K351 VanDerWaalsContact NH2-CE 3.34Å | ||
| 350 | I | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.2 | 175 | -59.7 | 163.9 | 0 | 0 | 0 | 107 | I318 L320 Q331 L334 W335 L338 I348 | I318-I350 HydrophobicContact CB-CB 4.45Å; I318-I350 HydrophobicContact CB-CG1 3.93Å; I318-I350 HydrophobicContact CD1-CG1 3.99Å; I318-I350 HydrophobicContact CG2-CG1 4.11Å; I318-I350 HydrophobicContact CG2-CG2 4.28Å; I318-I350 CarbonylContact O-C 3.58Å; I318-I350 WeakPolarHBondContact O-CA 3.4Å; L320-I350 HydrophobicContact CD1-CG2 3.65Å; L320-I350 HydrophobicContact CD2-CG2 3.84Å; L320-I350 HydrophobicContact CG-CG2 3.55Å; Q331-I350 HydrophobicContact CG-CB 4.33Å; Q331-I350 HydrophobicContact CG-CG2 3.93Å; Q331-I350 PolarHBondContact NE2-O 3.41Å; L334-I350 HydrophobicContact CB-CD1 4.17Å; L334-I350 HydrophobicContact CD2-CD1 3.97Å; L334-I350 HydrophobicContact CD2-CG2 4.38Å; L334-I350 HydrophobicContact CG-CD1 3.76Å; W335-I350 HydrophobicContact CB-CD1 3.84Å; W335-I350 HydrophobicContact CG-CD1 4.46Å; L338-I350 HydrophobicContact CD2-CD1 4.4Å; I348-I350 HydrophobicContact CG2-CD1 4.2Å; I348-I350 HydrophobicContact CG2-CG1 4.1Å |
| 351 | K | 97.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.2 | 175.9 | -69.3 | 171.2 | 176.3 | 174.2 | 0 | 108.9 | Y139 N143 I318 I319 L320 R349 | Y139-K351 HydrophobicContact CE2-CD 3.81Å; Y139-K351 PolarHBondContact OH-NZ 2.8Å; N143-K351 PolarHBondContact OD1-NZ 2.84Å; I318-K351 PolarHBondContact O-N 2.81Å; I319-K351 CarbonylContact C-O 3.52Å; I319-K351 VanDerWaalsContact CA-O 3.31Å; I319-K351 WeakPolarHBondContact CA-O 3.31Å; L320-K351 PolarHBondContact N-O 2.87Å; R349-K351 HydrophobicContact CG-CG 4.42Å; R349-K351 VanDerWaalsContact NH2-CE 3.34Å |
| 352 | L | 97.9 | Very high | 97.3 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.1 | 165 | -174.7 | 60.7 | 0 | 0 | 0 | 108.3 | L320 C325 P356 | L320-L352 HydrophobicContact CB-CD1 3.83Å; C325-L352 HydrophobicContact CB-CD1 3.68Å; C325-L352 WeakPolarHBondContact O-CD1 3.43Å; L352-P356 HydrophobicContact CD1-CB 4.46Å; L352-P356 HydrophobicContact CD1-CG 3.66Å; L352-P356 HydrophobicContact CG-CG 3.99Å |
| 353 | A | 97.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | trans | -58.6 | 146.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | I319 L320 D355 P356 N359 | I319-A353 HydrophobicContact CG2-CB 4.44Å; L320-A353 WeakPolarHBondContact O-CB 3.37Å; L320-A353 PolarHBondContact O-N 2.88Å; A353-D355 VanDerWaalsContact C-N 3.3Å; A353-D355 PolarHBondContact O-N 3.38Å; A353-P356 HydrophobicContact CB-CG 4.48Å; A353-P356 VanDerWaalsContact O-CD 3.28Å; A353-P356 WeakPolarHBondContact O-CD 3.49Å; A353-P356 WeakPolarHBondContact O-CG 3.36Å; A353-N359 HydrophobicContact CB-CB 4.07Å | ||
| 354 | E | 95.1 | Very high | 97.3 | Very high | 184 Ų | 184 | 53 Ų | 53 | 86% | 0.86 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -60.7 | -41.4 | -178.7 | -66.9 | 179.1 | 167.4 | 0 | 0 | 112 | ||
| 355 | D | 96.1 | Very high | 97.3 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -124.5 | 93.1 | 166.6 | 174.6 | 4.8 | 0 | 0 | 0 | 109.1 | A353 I357 G358 N359 R362 | A353-D355 VanDerWaalsContact C-N 3.3Å; A353-D355 PolarHBondContact O-N 3.38Å; D355-I357 PolarHBondContact O-N 3.01Å; D355-I357 PolarHBondContact OD1-N 2.91Å; D355-G358 VanDerWaalsContact CG-N 3.28Å; D355-G358 PolarHBondContact O-N 2.83Å; D355-G358 PolarHBondContact OD1-N 3.2Å; D355-G358 WeakPolarHBondContact OD2-CA 3.37Å; D355-G358 PolarHBondContact OD2-N 2.86Å; D355-N359 WeakPolarHBondContact O-CA 3.27Å; D355-N359 VanDerWaalsContact O-CB 3.23Å; D355-N359 WeakPolarHBondContact O-CB 3.4Å; D355-N359 PolarHBondContact O-N 3.22Å; D355-R362 VanDerWaalsContact CG-NH1 3.34Å; D355-R362 IonicContact OD2-CZ 3.55Å; D355-R362 VanDerWaalsContact OD2-CZ 3.23Å; D355-R362 IonicContact OD2-NH1 3.8Å; D355-R362 PolarHBondContact OD2-NH1 3.34Å; D355-R362 IonicContact OD2-NH2 3.74Å; D355-R362 PolarHBondContact OD2-NH2 3.16Å |
| 356 | P | 97.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.032 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.9 | 179.5 | -25.6 | 36.2 | 0 | 0 | 0 | 114.3 | T321 G322 C325 L326 L352 A353 | T321-P356 PolarHBondContact OG1-O 3.47Å; T321-P356 VanDerWaalsContact OG1-O 3.12Å; G322-P356 WeakPolarHBondContact CA-O 3.36Å; G322-P356 PolarHBondContact N-O 3.43Å; G322-P356 WeakPolarHBondContact O-CB 3.14Å; C325-P356 HydrophobicContact CB-CB 4.26Å; L326-P356 HydrophobicContact CD2-CB 4.46Å; L326-P356 HydrophobicContact CD2-CG 3.95Å; L352-P356 HydrophobicContact CD1-CB 4.46Å; L352-P356 HydrophobicContact CD1-CG 3.66Å; L352-P356 HydrophobicContact CG-CG 3.99Å; A353-P356 HydrophobicContact CB-CG 4.48Å; A353-P356 VanDerWaalsContact O-CD 3.28Å; A353-P356 WeakPolarHBondContact O-CD 3.49Å; A353-P356 WeakPolarHBondContact O-CG 3.36Å |
| 357 | I | 97 | Very high | 97.1 | Very high | 53 Ų | 53 | 39 Ų | 39 | 27% | 0.272 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -47.8 | -179.5 | -70.2 | 179.9 | 0 | 0 | 0 | 110 | K19 L30 L326 D355 | K19-I357 HydrophobicContact CD-CG2 4.37Å; K19-I357 WeakPolarHBondContact CE-O 3.49Å; K19-I357 PolarHBondContact NZ-O 2.85Å; K19-I357 VanDerWaalsContact NZ-O 3.09Å; L30-I357 HydrophobicContact CD2-CG2 4.33Å; L326-I357 HydrophobicContact CD1-CD1 3.48Å; L326-I357 VanDerWaalsContact CD1-CD1 3.48Å; L326-I357 HydrophobicContact CD1-CG1 3.84Å; D355-I357 PolarHBondContact O-N 3.01Å; D355-I357 PolarHBondContact OD1-N 2.91Å |
| 358 | G | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D355 A360 W361 R362 | D355-G358 VanDerWaalsContact CG-N 3.28Å; D355-G358 PolarHBondContact O-N 2.83Å; D355-G358 PolarHBondContact OD1-N 3.2Å; D355-G358 WeakPolarHBondContact OD2-CA 3.37Å; D355-G358 PolarHBondContact OD2-N 2.86Å; G358-A360 PolarHBondContact O-N 3.18Å; G358-W361 PolarHBondContact O-N 3.17Å; G358-R362 VanDerWaalsContact C-NH1 3.32Å; G358-R362 PolarHBondContact O-N 2.93Å; G358-R362 PolarHBondContact O-NH1 3.34Å |
| 359 | N | 97.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | -174.1 | -168.8 | 66.1 | 0 | 0 | 0 | 112.8 | S135 T321 A353 D355 W361 R362 G363 | S135-N359 VanDerWaalsContact CA-ND2 3.29Å; S135-N359 WeakPolarHBondContact CA-ND2 3.39Å; S135-N359 WeakPolarHBondContact CB-ND2 3.27Å; S135-N359 PolarHBondContact OG-ND2 3.35Å; S135-N359 VanDerWaalsContact OG-ND2 3.11Å; T321-N359 WeakPolarHBondContact OG1-CB 3.49Å; A353-N359 HydrophobicContact CB-CB 4.07Å; D355-N359 WeakPolarHBondContact O-CA 3.27Å; D355-N359 VanDerWaalsContact O-CB 3.23Å; D355-N359 WeakPolarHBondContact O-CB 3.4Å; D355-N359 PolarHBondContact O-N 3.22Å; N359-W361 PolarHBondContact O-N 3.23Å; N359-R362 PolarHBondContact O-N 3.4Å; N359-G363 PolarHBondContact O-N 2.96Å |
| 360 | A | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A131 L134 G358 R362 G363 G364 | A131-A360 HydrophobicContact CB-CB 3.91Å; A131-A360 WeakPolarHBondContact O-CB 3.35Å; L134-A360 HydrophobicContact CB-CB 4.31Å; L134-A360 WeakPolarHBondContact CB-O 3.13Å; G358-A360 PolarHBondContact O-N 3.18Å; A360-R362 PolarHBondContact O-N 3.07Å; A360-G363 PolarHBondContact O-N 2.7Å; A360-G364 PolarHBondContact O-N 3.09Å |
| 361 | W | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 176.4 | -177.2 | 94.2 | 0 | 0 | 0 | 111.9 | I10 D12 K19 A25 P28 G358 N359 G363 G364 R365 | I10-W361 VanDerWaalsContact CG2-CD1 3.46Å; I10-W361 HydrophobicContact CG2-CG 3.97Å; I10-W361 PolarHBondContact O-NE1 3.38Å; I10-W361 VanDerWaalsContact O-NE1 3.16Å; D12-W361 HydrophobicContact CB-CB 4.41Å; K19-W361 HydrophobicContact CB-CB 3.98Å; K19-W361 HydrophobicContact CB-CG 4.19Å; A25-W361 WeakPolarHBondContact O-CH2 3.33Å; P28-W361 HydrophobicContact CB-CB 4.38Å; P28-W361 HydrophobicContact CB-CD2 3.56Å; P28-W361 HydrophobicContact CB-CE3 3.94Å; P28-W361 HydrophobicContact CB-CG 3.73Å; P28-W361 HydrophobicContact CB-CZ2 4.41Å; P28-W361 HydrophobicContact CG-CB 4.49Å; P28-W361 HydrophobicContact CG-CD2 3.97Å; P28-W361 HydrophobicContact CG-CE3 3.88Å; P28-W361 HydrophobicContact CG-CG 4.22Å; P28-W361 HydrophobicContact CG-CZ3 4.47Å; G358-W361 PolarHBondContact O-N 3.17Å; N359-W361 PolarHBondContact O-N 3.23Å; W361-G363 VanDerWaalsContact C-N 3.3Å; W361-G363 PolarHBondContact O-N 2.84Å; W361-G364 PolarHBondContact O-N 3.35Å; W361-G364 VanDerWaalsContact O-N 3.13Å; W361-R365 HydrophobicContact CH2-CB 4.34Å; W361-R365 HydrophobicContact CH2-CG 4.34Å; W361-R365 HydrophobicContact CZ3-CB 4.23Å; W361-R365 PolarHBondContact O-N 3.44Å |
| 362 | R | 97.7 | Very high | 95.8 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 17% | 0.17 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -35.8 | 175.7 | -74.5 | -174.8 | -170.8 | 77.2 | -12.5 | 112.5 | E27 K138 D355 G358 N359 A360 R365 L366 | E27-R362 VanDerWaalsContact CD-NH2 3.28Å; E27-R362 IonicContact OE1-CZ 3.94Å; E27-R362 IonicContact OE1-NE 3.48Å; E27-R362 IonicContact OE1-NH2 2.86Å; E27-R362 PolarHBondContact OE1-NH2 2.8Å; E27-R362 VanDerWaalsContact OE1-NH2 3.14Å; E27-R362 IonicContact OE2-CZ 3.96Å; E27-R362 IonicContact OE2-NH2 3.4Å; E27-R362 PolarHBondContact OE2-NH2 3.08Å; K138-R362 HydrophobicContact CD-CB 4.34Å; D355-R362 VanDerWaalsContact CG-NH1 3.34Å; D355-R362 IonicContact OD2-CZ 3.55Å; D355-R362 VanDerWaalsContact OD2-CZ 3.23Å; D355-R362 IonicContact OD2-NH1 3.8Å; D355-R362 PolarHBondContact OD2-NH1 3.34Å; D355-R362 IonicContact OD2-NH2 3.74Å; D355-R362 PolarHBondContact OD2-NH2 3.16Å; G358-R362 VanDerWaalsContact C-NH1 3.32Å; G358-R362 PolarHBondContact O-N 2.93Å; G358-R362 PolarHBondContact O-NH1 3.34Å; N359-R362 PolarHBondContact O-N 3.4Å; A360-R362 PolarHBondContact O-N 3.07Å; R362-R365 PolarHBondContact O-N 3.14Å; R362-L366 WeakPolarHBondContact O-CG 3.21Å; R362-L366 PolarHBondContact O-N 2.92Å |
| 363 | G | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L134 N359 A360 W361 R365 L366 L367 | L134-G363 VanDerWaalsContact O-CA 3.31Å; L134-G363 WeakPolarHBondContact O-CA 3.48Å; N359-G363 PolarHBondContact O-N 2.96Å; A360-G363 PolarHBondContact O-N 2.7Å; W361-G363 VanDerWaalsContact C-N 3.3Å; W361-G363 PolarHBondContact O-N 2.84Å; G363-R365 VanDerWaalsContact C-N 3.33Å; G363-R365 PolarHBondContact O-N 2.85Å; G363-L366 PolarHBondContact O-N 2.99Å; G363-L367 WeakPolarHBondContact O-CB 3.43Å; G363-L367 PolarHBondContact O-N 3.18Å |
| 364 | G | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | I100 A360 W361 L367 A368 | I100-G364 VanDerWaalsContact CD1-O 3.25Å; I100-G364 WeakPolarHBondContact CD1-O 3.18Å; A360-G364 PolarHBondContact O-N 3.09Å; W361-G364 PolarHBondContact O-N 3.35Å; W361-G364 VanDerWaalsContact O-N 3.13Å; G364-L367 WeakPolarHBondContact O-CB 3.49Å; G364-L367 PolarHBondContact O-N 2.82Å; G364-A368 PolarHBondContact O-N 3.5Å |
| 365 | R | 96.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 18% | 0.181 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -47.1 | 176.2 | -174.1 | -143 | 165.8 | 113.1 | 19.9 | 112.1 | I10 S23 A25 T26 W361 R362 G363 L367 A368 E369 | I10-R365 HydrophobicContact CD1-CB 4.34Å; S23-R365 VanDerWaalsContact O-CZ 3.28Å; S23-R365 PolarHBondContact O-NE 3.16Å; S23-R365 PolarHBondContact O-NH2 3.27Å; S23-R365 VanDerWaalsContact O-NH2 3.14Å; A25-R365 VanDerWaalsContact C-NH1 3.3Å; A25-R365 PolarHBondContact O-NH1 3.21Å; T26-R365 PolarHBondContact O-NH1 3.44Å; W361-R365 HydrophobicContact CH2-CB 4.34Å; W361-R365 HydrophobicContact CH2-CG 4.34Å; W361-R365 HydrophobicContact CZ3-CB 4.23Å; W361-R365 PolarHBondContact O-N 3.44Å; R362-R365 PolarHBondContact O-N 3.14Å; G363-R365 VanDerWaalsContact C-N 3.33Å; G363-R365 PolarHBondContact O-N 2.85Å; R365-L367 PolarHBondContact O-N 3.12Å; R365-A368 WeakPolarHBondContact O-CB 3.23Å; R365-A368 PolarHBondContact O-N 2.92Å; R365-A368 VanDerWaalsContact O-N 3.13Å; R365-E369 IonicContact CZ-OE1 2.61Å; R365-E369 IonicContact NE-OE1 3.57Å; R365-E369 PolarHBondContact NE-OE1 2.65Å; R365-E369 IonicContact NH2-OE1 2.65Å; R365-E369 PolarHBondContact NH2-OE1 3.46Å; R365-E369 PolarHBondContact O-N 3.16Å |
| 366 | L | 95.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -36.9 | 175.7 | -71 | 172.5 | 0 | 0 | 0 | 111.8 | Y137 K138 Y141 R362 G363 A368 E369 S370 | Y137-L366 HydrophobicContact CD1-CB 4.19Å; Y137-L366 HydrophobicContact CE1-CB 3.95Å; K138-L366 HydrophobicContact CD-CD1 3.32Å; Y141-L366 HydrophobicContact CD1-CD1 3.71Å; Y141-L366 HydrophobicContact CD1-CD2 4.23Å; Y141-L366 HydrophobicContact CD2-CD1 4.25Å; Y141-L366 HydrophobicContact CD2-CD2 4.34Å; Y141-L366 HydrophobicContact CE1-CD1 4.26Å; Y141-L366 HydrophobicContact CE1-CD2 3.94Å; Y141-L366 HydrophobicContact CE2-CD2 4.04Å; Y141-L366 HydrophobicContact CG-CD1 3.71Å; Y141-L366 HydrophobicContact CG-CD2 4.42Å; R362-L366 WeakPolarHBondContact O-CG 3.21Å; R362-L366 PolarHBondContact O-N 2.92Å; G363-L366 PolarHBondContact O-N 2.99Å; L366-A368 VanDerWaalsContact C-N 3.35Å; L366-E369 PolarHBondContact O-N 3.28Å; L366-S370 PolarHBondContact O-N 3.33Å |
| 367 | L | 95 | Very high | 95 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 174.9 | -179.5 | 63.8 | 0 | 0 | 0 | 111.5 | Y127 L134 Y137 G363 G364 R365 E369 S370 L373 I376 | Y127-L367 HydrophobicContact CD1-CD2 3.65Å; Y127-L367 HydrophobicContact CE1-CD2 3.37Å; L134-L367 HydrophobicContact CD2-CD2 4.12Å; Y137-L367 HydrophobicContact CD1-CB 4.07Å; Y137-L367 HydrophobicContact CD2-CD1 4.26Å; Y137-L367 HydrophobicContact CE1-CB 3.9Å; Y137-L367 HydrophobicContact CE1-CD1 4.32Å; Y137-L367 HydrophobicContact CE2-CD1 3.75Å; G363-L367 WeakPolarHBondContact O-CB 3.43Å; G363-L367 PolarHBondContact O-N 3.18Å; G364-L367 WeakPolarHBondContact O-CB 3.49Å; G364-L367 PolarHBondContact O-N 2.82Å; R365-L367 PolarHBondContact O-N 3.12Å; L367-E369 PolarHBondContact O-N 3.46Å; L367-S370 WeakPolarHBondContact O-CB 3.09Å; L367-S370 PolarHBondContact O-N 3.25Å; L367-L373 HydrophobicContact CD2-CD1 4.25Å; L367-L373 HydrophobicContact CG-CD1 4.04Å; L367-I376 HydrophobicContact CD1-CD1 3.99Å; L367-I376 HydrophobicContact CD2-CD1 4.04Å; L367-I376 HydrophobicContact CG-CD1 4.5Å |
| 368 | A | 95.2 | Very high | 95 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -34.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A8 I10 I100 G364 R365 L366 S370 | A8-A368 HydrophobicContact CB-CB 3.67Å; I10-A368 HydrophobicContact CD1-CB 4.39Å; I100-A368 HydrophobicContact CD1-CB 3.8Å; G364-A368 PolarHBondContact O-N 3.5Å; R365-A368 WeakPolarHBondContact O-CB 3.23Å; R365-A368 PolarHBondContact O-N 2.92Å; R365-A368 VanDerWaalsContact O-N 3.13Å; L366-A368 VanDerWaalsContact C-N 3.35Å; A368-S370 VanDerWaalsContact C-N 3.29Å |
| 369 | E | 92.6 | Very high | 95 | Very high | 114 Ų | 114 | 38.8 Ų | 38.8 | 53% | 0.533 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.9 | 176.4 | -65.8 | 172.9 | -169.6 | 0 | 0 | 112.6 | R365 L366 L367 | R365-E369 IonicContact CZ-OE1 2.61Å; R365-E369 IonicContact NE-OE1 3.57Å; R365-E369 PolarHBondContact NE-OE1 2.65Å; R365-E369 IonicContact NH2-OE1 2.65Å; R365-E369 PolarHBondContact NH2-OE1 3.46Å; R365-E369 PolarHBondContact O-N 3.16Å; L366-E369 PolarHBondContact O-N 3.28Å; L367-E369 PolarHBondContact O-N 3.46Å |
| 370 | S | 92.7 | Very high | 95 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -88.5 | 138 | -177.1 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | Y137 L366 L367 A368 D372 L373 | Y137-S370 WeakPolarHBondContact OH-CB 3.49Å; Y137-S370 PolarHBondContact OH-OG 3.18Å; L366-S370 PolarHBondContact O-N 3.33Å; L367-S370 WeakPolarHBondContact O-CB 3.09Å; L367-S370 PolarHBondContact O-N 3.25Å; A368-S370 VanDerWaalsContact C-N 3.29Å; S370-D372 PolarHBondContact O-N 3.16Å; S370-D372 VanDerWaalsContact O-N 3.09Å; S370-D372 WeakPolarHBondContact OG-CB 3.29Å; S370-D372 PolarHBondContact OG-N 3.15Å; S370-D372 VanDerWaalsContact OG-N 3.16Å; S370-D372 PolarHBondContact OG-OD2 3.35Å; S370-L373 WeakPolarHBondContact O-CB 3.32Å; S370-L373 PolarHBondContact O-N 2.63Å |
| 371 | P | 91.3 | Very high | 95 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 68% | 0.675 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -61.3 | -18.8 | 171.5 | 27.3 | -35.7 | 0 | 0 | 0 | 113 | L373 S374 | P371-L373 VanDerWaalsContact C-N 3.25Å; P371-L373 PolarHBondContact O-N 2.96Å; P371-S374 PolarHBondContact O-N 2.83Å; P371-S374 PolarHBondContact O-OG 3.42Å |
| 372 | D | 89.4 | Confident | 95 | Very high | 66 Ų | 66 | 46 Ų | 46 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -68.3 | -22.8 | 178.9 | -67.2 | -37.8 | 0 | 0 | 0 | 113.3 | S370 S374 K375 | S370-D372 PolarHBondContact O-N 3.16Å; S370-D372 VanDerWaalsContact O-N 3.09Å; S370-D372 WeakPolarHBondContact OG-CB 3.29Å; S370-D372 PolarHBondContact OG-N 3.15Å; S370-D372 VanDerWaalsContact OG-N 3.16Å; S370-D372 PolarHBondContact OG-OD2 3.35Å; D372-S374 PolarHBondContact O-N 2.9Å; D372-K375 WeakPolarHBondContact O-CB 3.33Å; D372-K375 PolarHBondContact O-N 3.24Å; D372-K375 IonicContact OD1-NZ 3.25Å; D372-K375 PolarHBondContact OD1-NZ 3.16Å |
| 373 | L | 93.3 | Very high | 95 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -55.1 | -42.1 | 177.4 | -179 | 67.7 | 0 | 0 | 0 | 111.5 | I100 L367 S370 P371 K375 I376 V377 | I100-L373 HydrophobicContact CD1-CD1 3.85Å; I100-L373 HydrophobicContact CD1-CD2 4.31Å; I100-L373 HydrophobicContact CG1-CD1 4.05Å; L367-L373 HydrophobicContact CD2-CD1 4.25Å; L367-L373 HydrophobicContact CG-CD1 4.04Å; S370-L373 WeakPolarHBondContact O-CB 3.32Å; S370-L373 PolarHBondContact O-N 2.63Å; P371-L373 VanDerWaalsContact C-N 3.25Å; P371-L373 PolarHBondContact O-N 2.96Å; L373-K375 PolarHBondContact O-N 3.35Å; L373-I376 WeakPolarHBondContact O-CG1 3.29Å; L373-I376 PolarHBondContact O-N 3.24Å; L373-V377 HydrophobicContact CD1-CG1 3.5Å; L373-V377 VanDerWaalsContact CD1-CG1 3.5Å; L373-V377 HydrophobicContact CD2-CG1 4.46Å; L373-V377 HydrophobicContact CG-CG1 3.65Å; L373-V377 WeakPolarHBondContact O-CG1 3.29Å; L373-V377 WeakPolarHBondContact O-CG2 3.41Å; L373-V377 PolarHBondContact O-N 3.24Å; L373-V377 VanDerWaalsContact O-N 3.13Å |
| 374 | S | 92.1 | Very high | 95 | Very high | 91 Ų | 91 | 49.1 Ų | 49.1 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -58 | -20.1 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 114.2 | P371 D372 | P371-S374 PolarHBondContact O-N 2.83Å; P371-S374 PolarHBondContact O-OG 3.42Å; D372-S374 PolarHBondContact O-N 2.9Å |
| 375 | K | 92.4 | Very high | 95 | Very high | 137 Ų | 137 | 55.7 Ų | 55.7 | 60% | 0.596 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -89.6 | -17.6 | -178.6 | -57.1 | 172.4 | -173.2 | 159.8 | 0 | 113.3 | D372 L373 Y394 | D372-K375 WeakPolarHBondContact O-CB 3.33Å; D372-K375 PolarHBondContact O-N 3.24Å; D372-K375 IonicContact OD1-NZ 3.25Å; D372-K375 PolarHBondContact OD1-NZ 3.16Å; L373-K375 PolarHBondContact O-N 3.35Å; K375-Y394 WeakPolarHBondContact O-CE1 3.36Å |
| 376 | I | 93.6 | Very high | 95 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -7.7 | -169.7 | 62.9 | 178 | 0 | 0 | 0 | 113.5 | Y127 L367 L373 | Y127-I376 HydrophobicContact CD1-CD1 4.44Å; Y127-I376 HydrophobicContact CD2-CB 4.25Å; Y127-I376 HydrophobicContact CD2-CD1 4.06Å; Y127-I376 HydrophobicContact CD2-CG1 3.99Å; Y127-I376 WeakPolarHBondContact CD2-O 3.38Å; Y127-I376 HydrophobicContact CE1-CD1 4.12Å; Y127-I376 HydrophobicContact CE2-CB 4.15Å; Y127-I376 HydrophobicContact CE2-CD1 3.71Å; Y127-I376 HydrophobicContact CE2-CG1 4.04Å; Y127-I376 HydrophobicContact CG-CD1 4.41Å; Y127-I376 HydrophobicContact CG-CG1 4.44Å; L367-I376 HydrophobicContact CD1-CD1 3.99Å; L367-I376 HydrophobicContact CD2-CD1 4.04Å; L367-I376 HydrophobicContact CG-CD1 4.5Å; L373-I376 WeakPolarHBondContact O-CG1 3.29Å; L373-I376 PolarHBondContact O-N 3.24Å |
| 377 | V | 95.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | trans | -79 | 150.4 | 172.9 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | L373 | L373-V377 HydrophobicContact CD1-CG1 3.5Å; L373-V377 VanDerWaalsContact CD1-CG1 3.5Å; L373-V377 HydrophobicContact CD2-CG1 4.46Å; L373-V377 HydrophobicContact CG-CG1 3.65Å; L373-V377 WeakPolarHBondContact O-CG1 3.29Å; L373-V377 WeakPolarHBondContact O-CG2 3.41Å; L373-V377 PolarHBondContact O-N 3.24Å; L373-V377 VanDerWaalsContact O-N 3.13Å | ||
| 378 | V | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.2 | 166.2 | 175.1 | 0 | 0 | 0 | 0 | 108 | F118 S125 V126 M382 V390 Y394 F395 | F118-V378 HydrophobicContact CE1-CG1 4.48Å; F118-V378 HydrophobicContact CE2-CG1 4.25Å; F118-V378 HydrophobicContact CZ-CB 3.95Å; F118-V378 HydrophobicContact CZ-CG1 3.74Å; F118-V378 WeakPolarHBondContact CZ-O 3.19Å; S125-V378 CarbonylContact C-O 3.59Å; S125-V378 WeakPolarHBondContact CA-O 3.4Å; S125-V378 WeakPolarHBondContact CB-O 3.48Å; V126-V378 PolarHBondContact N-O 3.34Å; V126-V378 PolarHBondContact O-N 2.85Å; V378-M382 HydrophobicContact CG1-CB 4.2Å; V378-V390 HydrophobicContact CG1-CG1 3.65Å; V378-V390 HydrophobicContact CG1-CG2 4.38Å; V378-V390 HydrophobicContact CG2-CG2 4.43Å; V378-Y394 VanDerWaalsContact CG2-CB 3.5Å; V378-Y394 HydrophobicContact CG2-CD1 4.33Å; V378-Y394 HydrophobicContact CG2-CD2 4.11Å; V378-Y394 HydrophobicContact CG2-CG 3.73Å; V378-F395 HydrophobicContact CB-CE1 4.18Å; V378-F395 HydrophobicContact CB-CZ 3.75Å; V378-F395 HydrophobicContact CG2-CD1 4.44Å; V378-F395 HydrophobicContact CG2-CE1 3.67Å; V378-F395 HydrophobicContact CG2-CE2 4.23Å; V378-F395 HydrophobicContact CG2-CZ 3.56Å |
| 379 | T | 97.3 | Very high | 94.8 | Very high | 39 Ų | 39 | 61.7 Ų | 61.7 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 154.1 | 173.6 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | H124 A381 M382 Y383 | H124-T379 CarbonylContact O-C 3.33Å; H124-T379 WeakPolarHBondContact O-CA 3.47Å; T379-A381 PolarHBondContact O-N 2.78Å; T379-M382 HydrophobicContact CG2-SD 4.14Å; T379-M382 WeakPolarHBondContact O-CB 3.36Å; T379-M382 PolarHBondContact O-N 3.02Å; T379-M382 WeakPolarHBondContact OG1-CG 3.27Å; T379-M382 PolarHBondContact OG1-N 3.48Å; T379-M382 PolarHBondContact OG1-SD 3.22Å; T379-M382 VanDerWaalsContact OG1-SD 3.35Å; T379-Y383 PolarHBondContact O-N 3.14Å |
| 380 | K | 97.3 | Very high | 94.9 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 27% | 0.265 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.2 | -40 | 173.8 | -169.5 | -174.7 | 179.6 | -53.3 | 0 | 111.9 | F118 A122 F123 H124 M382 Y383 D384 | F118-K380 HydrophobicContact CD1-CB 4.06Å; F118-K380 HydrophobicContact CD1-CG 4.23Å; F118-K380 HydrophobicContact CE1-CB 4.45Å; F118-K380 WeakPolarHBondContact O-CE 3.25Å; A122-K380 HydrophobicContact CB-CD 4.49Å; F123-K380 WeakPolarHBondContact O-CB 3.37Å; H124-K380 PolarHBondContact O-N 3.3Å; K380-M382 VanDerWaalsContact C-N 3.28Å; K380-M382 PolarHBondContact O-N 3Å; K380-Y383 CarbonylContact O-C 3.56Å; K380-Y383 PolarHBondContact O-N 2.99Å; K380-Y383 VanDerWaalsContact O-N 3.14Å; K380-D384 IonicContact NZ-OD1 2.98Å; K380-D384 PolarHBondContact NZ-OD1 3.28Å; K380-D384 IonicContact NZ-OD2 3.35Å; K380-D384 PolarHBondContact NZ-OD2 3.42Å; K380-D384 WeakPolarHBondContact O-CB 3.26Å; K380-D384 PolarHBondContact O-N 2.61Å |
| 381 | A | 97.3 | Very high | 95 | Very high | 60 Ų | 60 | 55.3 Ų | 55.3 | 50% | 0.496 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.3 | -34.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T379 N385 | T379-A381 PolarHBondContact O-N 2.78Å; A381-N385 VanDerWaalsContact O-CG 3.28Å; A381-N385 PolarHBondContact O-N 3.46Å; A381-N385 PolarHBondContact O-ND2 3.08Å |
| 382 | M | 97.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 173 | -68.6 | 161.9 | 66.7 | 0 | 0 | 111 | V378 T379 K380 N385 E386 V390 Y394 | V378-M382 HydrophobicContact CG1-CB 4.2Å; T379-M382 HydrophobicContact CG2-SD 4.14Å; T379-M382 WeakPolarHBondContact O-CB 3.36Å; T379-M382 PolarHBondContact O-N 3.02Å; T379-M382 WeakPolarHBondContact OG1-CG 3.27Å; T379-M382 PolarHBondContact OG1-N 3.48Å; T379-M382 PolarHBondContact OG1-SD 3.22Å; T379-M382 VanDerWaalsContact OG1-SD 3.35Å; K380-M382 VanDerWaalsContact C-N 3.28Å; K380-M382 PolarHBondContact O-N 3Å; M382-N385 PolarHBondContact O-N 2.85Å; M382-E386 PolarHBondContact O-N 2.75Å; M382-V390 HydrophobicContact CB-CG1 4.31Å; M382-V390 HydrophobicContact CB-CG2 4.18Å; M382-V390 HydrophobicContact CE-CG2 3.67Å; M382-Y394 HydrophobicContact CE-CD2 4.28Å; M382-Y394 HydrophobicContact CE-CE1 4.15Å; M382-Y394 HydrophobicContact CE-CE2 3.55Å; M382-Y394 VanDerWaalsContact CE-CZ 3.48Å; M382-Y394 WeakPolarHBondContact CE-OH 3.29Å |
| 383 | Y | 97.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.7 | -179.9 | -90 | 0 | 0 | 0 | 112.1 | W114 E115 F118 E119 T379 K380 N385 E386 G387 | W114-Y383 HydrophobicContact CB-CE2 4.4Å; E115-Y383 WeakPolarHBondContact CA-OH 3.43Å; F118-Y383 HydrophobicContact CB-CD1 3.49Å; F118-Y383 VanDerWaalsContact CB-CD1 3.49Å; F118-Y383 HydrophobicContact CB-CD2 4.36Å; F118-Y383 HydrophobicContact CB-CE1 3.73Å; F118-Y383 HydrophobicContact CB-CG 3.84Å; F118-Y383 HydrophobicContact CD1-CG 4.29Å; F118-Y383 HydrophobicContact CD2-CD1 4.17Å; F118-Y383 AromaticContact CD2-CD2 3.51Å; F118-Y383 HydrophobicContact CD2-CD2 3.51Å; F118-Y383 AromaticContact CD2-CE2 3.97Å; F118-Y383 HydrophobicContact CD2-CE2 3.97Å; F118-Y383 AromaticContact CD2-CG 3.62Å; F118-Y383 HydrophobicContact CD2-CG 3.62Å; F118-Y383 AromaticContact CE2-CD2 3.97Å; F118-Y383 HydrophobicContact CE2-CD2 3.97Å; F118-Y383 HydrophobicContact CE2-CG 4.21Å; F118-Y383 AromaticContact CG-CD1 3.87Å; F118-Y383 HydrophobicContact CG-CD1 3.87Å; F118-Y383 HydrophobicContact CG-CD2 4.05Å; F118-Y383 HydrophobicContact CG-CE1 4.43Å; F118-Y383 AromaticContact CG-CG 3.66Å; F118-Y383 HydrophobicContact CG-CG 3.66Å; E119-Y383 HydrophobicContact CG-CE1 3.79Å; E119-Y383 WeakPolarHBondContact OE1-CE1 3.44Å; E119-Y383 PolarHBondContact OE1-OH 3.34Å; T379-Y383 PolarHBondContact O-N 3.14Å; K380-Y383 CarbonylContact O-C 3.56Å; K380-Y383 PolarHBondContact O-N 2.99Å; K380-Y383 VanDerWaalsContact O-N 3.14Å; Y383-N385 PolarHBondContact O-N 3.26Å; Y383-N385 VanDerWaalsContact O-N 3.16Å; Y383-E386 PolarHBondContact O-N 3.32Å; Y383-G387 WeakPolarHBondContact CD2-O 3.31Å; Y383-G387 WeakPolarHBondContact O-CA 3.43Å; Y383-G387 PolarHBondContact O-N 2.78Å |
| 384 | D | 97.5 | Very high | 95.1 | Very high | 95 Ų | 95 | 62.7 Ų | 62.7 | 51% | 0.508 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -27.6 | 178 | -67.8 | -18.5 | 0 | 0 | 0 | 112.1 | K380 | K380-D384 IonicContact NZ-OD1 2.98Å; K380-D384 PolarHBondContact NZ-OD1 3.28Å; K380-D384 IonicContact NZ-OD2 3.35Å; K380-D384 PolarHBondContact NZ-OD2 3.42Å; K380-D384 WeakPolarHBondContact O-CB 3.26Å; K380-D384 PolarHBondContact O-N 2.61Å |
| 385 | N | 97 | Very high | 94.9 | Very high | 139 Ų | 139 | 58.5 Ų | 58.5 | 74% | 0.743 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -87.6 | -37.2 | -179.6 | -74 | -38 | 0 | 0 | 0 | 114 | A381 M382 Y383 | A381-N385 VanDerWaalsContact O-CG 3.28Å; A381-N385 PolarHBondContact O-N 3.46Å; A381-N385 PolarHBondContact O-ND2 3.08Å; M382-N385 PolarHBondContact O-N 2.85Å; Y383-N385 PolarHBondContact O-N 3.26Å; Y383-N385 VanDerWaalsContact O-N 3.16Å |
| 386 | E | 96.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 56.8 Ų | 56.8 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -118.6 | -5.4 | -172 | -69.2 | -173.5 | -127.1 | 0 | 0 | 113.8 | M382 Y383 D389 V390 K393 | M382-E386 PolarHBondContact O-N 2.75Å; Y383-E386 PolarHBondContact O-N 3.32Å; E386-D389 PolarHBondContact O-N 3.39Å; E386-V390 HydrophobicContact CB-CB 3.86Å; E386-V390 HydrophobicContact CB-CG1 4.19Å; E386-K393 IonicContact OE2-NZ 3.95Å; E386-K393 PolarHBondContact OE2-NZ 3.31Å |
| 387 | G | 94.4 | Very high | 92 | Very high | 26 Ų | 26 | 56 Ų | 56 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -144.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y383 D389 V390 | Y383-G387 WeakPolarHBondContact CD2-O 3.31Å; Y383-G387 WeakPolarHBondContact O-CA 3.43Å; Y383-G387 PolarHBondContact O-N 2.78Å; G387-D389 PolarHBondContact O-N 3.04Å; G387-D389 VanDerWaalsContact O-N 3.13Å; G387-V390 WeakPolarHBondContact O-CG1 3.36Å; G387-V390 PolarHBondContact O-N 3.38Å |
| 388 | A | 93.7 | Very high | 91.8 | Very high | 16 Ų | 16 | 58 Ų | 58 | 13% | 0.132 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.6 | -18.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E111 W114 V390 C391 R392 | E111-A388 HydrophobicContact CB-CB 4.49Å; E111-A388 HydrophobicContact CG-CB 3.94Å; W114-A388 HydrophobicContact CE3-CB 3.94Å; W114-A388 HydrophobicContact CZ3-CB 4.09Å; A388-V390 VanDerWaalsContact C-N 3.32Å; A388-V390 PolarHBondContact O-N 3.27Å; A388-C391 WeakPolarHBondContact O-CB 3.24Å; A388-C391 PolarHBondContact O-N 2.71Å; A388-R392 PolarHBondContact O-N 2.96Å; A388-R392 VanDerWaalsContact O-N 3.12Å |
| 389 | D | 93.9 | Very high | 91.5 | Very high | 90 Ų | 90 | 61.1 Ų | 61.1 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | -179.3 | -81.6 | -36.9 | 0 | 0 | 0 | 112.7 | E386 G387 C391 R392 K393 | E386-D389 PolarHBondContact O-N 3.39Å; G387-D389 PolarHBondContact O-N 3.04Å; G387-D389 VanDerWaalsContact O-N 3.13Å; D389-C391 VanDerWaalsContact C-N 3.34Å; D389-R392 PolarHBondContact O-N 3.36Å; D389-R392 IonicContact OD1-CZ 3.71Å; D389-R392 IonicContact OD1-NH1 3.24Å; D389-R392 PolarHBondContact OD1-NH1 3.06Å; D389-K393 WeakPolarHBondContact O-CG 3.25Å; D389-K393 PolarHBondContact O-N 2.99Å |
| 390 | V | 95.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 175.8 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | V378 M382 E386 G387 A388 R392 K393 Y394 | V378-V390 HydrophobicContact CG1-CG1 3.65Å; V378-V390 HydrophobicContact CG1-CG2 4.38Å; V378-V390 HydrophobicContact CG2-CG2 4.43Å; M382-V390 HydrophobicContact CB-CG1 4.31Å; M382-V390 HydrophobicContact CB-CG2 4.18Å; M382-V390 HydrophobicContact CE-CG2 3.67Å; E386-V390 HydrophobicContact CB-CB 3.86Å; E386-V390 HydrophobicContact CB-CG1 4.19Å; G387-V390 WeakPolarHBondContact O-CG1 3.36Å; G387-V390 PolarHBondContact O-N 3.38Å; A388-V390 VanDerWaalsContact C-N 3.32Å; A388-V390 PolarHBondContact O-N 3.27Å; V390-R392 VanDerWaalsContact C-N 3.34Å; V390-R392 PolarHBondContact O-N 3.16Å; V390-K393 PolarHBondContact O-N 2.78Å; V390-K393 VanDerWaalsContact O-N 3.16Å; V390-Y394 HydrophobicContact CG2-CD2 3.78Å; V390-Y394 HydrophobicContact CG2-CE2 3.83Å; V390-Y394 WeakPolarHBondContact O-CD2 3.28Å; V390-Y394 PolarHBondContact O-N 3.19Å |
| 391 | C | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 174.8 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | W114 A388 D389 K393 Y394 F395 | W114-C391 HydrophobicContact CD2-CB 3.51Å; W114-C391 HydrophobicContact CE3-CB 3.31Å; W114-C391 HydrophobicContact CG-CB 4.21Å; W114-C391 HydrophobicContact CH2-CB 3.73Å; W114-C391 HydrophobicContact CZ2-CB 3.91Å; W114-C391 HydrophobicContact CZ3-CB 3.43Å; W114-C391 VanDerWaalsContact CZ3-CB 3.43Å; A388-C391 WeakPolarHBondContact O-CB 3.24Å; A388-C391 PolarHBondContact O-N 2.71Å; D389-C391 VanDerWaalsContact C-N 3.34Å; C391-K393 VanDerWaalsContact C-N 3.27Å; C391-K393 PolarHBondContact O-N 3.06Å; C391-Y394 PolarHBondContact O-N 3.25Å; C391-F395 HydrophobicContact CB-CD2 3.66Å; C391-F395 HydrophobicContact CB-CE2 3.67Å; C391-F395 WeakPolarHBondContact O-CB 3.23Å; C391-F395 WeakPolarHBondContact O-CG 3.28Å; C391-F395 PolarHBondContact O-N 2.71Å |
| 392 | R | 91.6 | Very high | 90.4 | Very high | 111 Ų | 111 | 62.5 Ų | 62.5 | 42% | 0.419 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -32.6 | 176.5 | -65.8 | -178.1 | -170.4 | 107.1 | -1.8 | 113.2 | E111 W114 A388 D389 V390 | E111-R392 IonicContact OE1-CZ 2.75Å; E111-R392 IonicContact OE1-NH2 3.25Å; E111-R392 PolarHBondContact OE1-NH2 3.15Å; E111-R392 IonicContact OE2-NH2 2.76Å; E111-R392 PolarHBondContact OE2-NH2 3.18Å; W114-R392 HydrophobicContact CH2-CG 3.89Å; W114-R392 HydrophobicContact CZ3-CG 3.93Å; A388-R392 PolarHBondContact O-N 2.96Å; A388-R392 VanDerWaalsContact O-N 3.12Å; D389-R392 PolarHBondContact O-N 3.36Å; D389-R392 IonicContact OD1-CZ 3.71Å; D389-R392 IonicContact OD1-NH1 3.24Å; D389-R392 PolarHBondContact OD1-NH1 3.06Å; V390-R392 VanDerWaalsContact C-N 3.34Å; V390-R392 PolarHBondContact O-N 3.16Å |
| 393 | K | 91.4 | Very high | 89.9 | Confident | 142 Ų | 142 | 63.6 Ų | 63.6 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -73.5 | -36 | 178.5 | -65.9 | 169.8 | -168.7 | 170.6 | 0 | 112.3 | E386 D389 V390 C391 | E386-K393 IonicContact OE2-NZ 3.95Å; E386-K393 PolarHBondContact OE2-NZ 3.31Å; D389-K393 WeakPolarHBondContact O-CG 3.25Å; D389-K393 PolarHBondContact O-N 2.99Å; V390-K393 PolarHBondContact O-N 2.78Å; V390-K393 VanDerWaalsContact O-N 3.16Å; C391-K393 VanDerWaalsContact C-N 3.27Å; C391-K393 PolarHBondContact O-N 3.06Å |
| 394 | Y | 91.3 | Very high | 89.4 | Confident | 90 Ų | 90 | 67 Ų | 67 | 35% | 0.353 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -94.4 | -39.9 | -173.1 | -83.3 | -102.6 | 0 | 0 | 0 | 113.4 | K375 V378 M382 V390 C391 V396 | K375-Y394 WeakPolarHBondContact O-CE1 3.36Å; V378-Y394 VanDerWaalsContact CG2-CB 3.5Å; V378-Y394 HydrophobicContact CG2-CD1 4.33Å; V378-Y394 HydrophobicContact CG2-CD2 4.11Å; V378-Y394 HydrophobicContact CG2-CG 3.73Å; M382-Y394 HydrophobicContact CE-CD2 4.28Å; M382-Y394 HydrophobicContact CE-CE1 4.15Å; M382-Y394 HydrophobicContact CE-CE2 3.55Å; M382-Y394 VanDerWaalsContact CE-CZ 3.48Å; M382-Y394 WeakPolarHBondContact CE-OH 3.29Å; V390-Y394 HydrophobicContact CG2-CD2 3.78Å; V390-Y394 HydrophobicContact CG2-CE2 3.83Å; V390-Y394 WeakPolarHBondContact O-CD2 3.28Å; V390-Y394 PolarHBondContact O-N 3.19Å; C391-Y394 PolarHBondContact O-N 3.25Å; Y394-V396 PolarHBondContact O-N 3.18Å |
| 395 | F | 89.1 | Confident | 88.8 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | trans | -90.6 | 92.5 | -174.9 | -53.5 | -29.9 | 0 | 0 | 0 | 110.5 | R110 W114 V126 Y127 C128 V378 C391 T397 | R110-F395 PolarHBondContact NH2-O 2.72Å; W114-F395 AromaticContact CE2-CD2 3.73Å; W114-F395 HydrophobicContact CZ2-CB 4.49Å; W114-F395 AromaticContact CZ2-CD2 3.85Å; W114-F395 HydrophobicContact CZ2-CD2 3.85Å; W114-F395 AromaticContact NE1-CD2 3.63Å; W114-F395 AromaticContact NE1-CE2 3.93Å; V126-F395 HydrophobicContact CB-CZ 4.47Å; V126-F395 HydrophobicContact CG1-CZ 4.47Å; V126-F395 VanDerWaalsContact O-CE1 3.31Å; V126-F395 WeakPolarHBondContact O-CE1 3.11Å; V126-F395 VanDerWaalsContact O-CZ 3.27Å; V126-F395 WeakPolarHBondContact O-CZ 3.48Å; Y127-F395 HydrophobicContact CD2-CD1 4.21Å; Y127-F395 HydrophobicContact CD2-CE1 4.33Å; C128-F395 HydrophobicContact CB-CD1 4.36Å; C128-F395 HydrophobicContact CB-CD2 3.85Å; C128-F395 HydrophobicContact CB-CE2 4.09Å; C128-F395 HydrophobicContact CB-CG 4Å; C128-F395 HydrophobicContact CB-CZ 4.45Å; V378-F395 HydrophobicContact CB-CE1 4.18Å; V378-F395 HydrophobicContact CB-CZ 3.75Å; V378-F395 HydrophobicContact CG2-CD1 4.44Å; V378-F395 HydrophobicContact CG2-CE1 3.67Å; V378-F395 HydrophobicContact CG2-CE2 4.23Å; V378-F395 HydrophobicContact CG2-CZ 3.56Å; C391-F395 HydrophobicContact CB-CD2 3.66Å; C391-F395 HydrophobicContact CB-CE2 3.67Å; C391-F395 WeakPolarHBondContact O-CB 3.23Å; C391-F395 WeakPolarHBondContact O-CG 3.28Å; C391-F395 PolarHBondContact O-N 2.71Å; F395-T397 PolarHBondContact O-N 2.79Å | ||
| 396 | V | 68.4 | Low | 88.1 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | trans | -65.7 | 124.1 | 170.1 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | Y394 | Y394-V396 PolarHBondContact O-N 3.18Š| ||
| 397 | T | 56.7 | Low | 87.4 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | trans | -102.1 | 0 | 174.8 | 17.2 | 0 | 0 | 0 | 0 | 113 | R110 M169 F395 | R110-T397 VanDerWaalsContact NH1-CG2 3.3Å; R110-T397 PolarHBondContact NH1-OG1 3.35Å; R110-T397 VanDerWaalsContact NH2-CG2 3.3Å; M169-T397 WeakPolarHBondContact CE-O 3.44Å; M169-T397 WeakPolarHBondContact CE-OXT 3.4Å; F395-T397 PolarHBondContact O-N 2.79Å |
Retrieved 397 of 397 residues in 613.8 ms
(Link to these results)