| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.7 | Very low | 75.5 | Confident | 245 Ų | 245 | 93.1 Ų | 93.1 | 100% | 1.207 | 50% | 0.503 | S | S | * | . | 0 | 126.8 | 0 | -75.2 | 171.3 | 173.9 | 0 | 0 | 106.1 | D3 | M1-D3 PolarHBondContact O-N 3.26Š| |||
| 2 | T | 42.2 | Very low | 77.1 | Confident | 139 Ų | 139 | 85.4 Ų | 85.4 | 85% | 0.853 | 46% | 0.461 | S | S | * | . | trans | -53.5 | 126.9 | -156.9 | 37.2 | 0 | 0 | 0 | 0 | 115 | G4 | T2-G4 PolarHBondContact O-N 3.25Š| ||
| 3 | D | 53.9 | Low | 78.4 | Confident | 146 Ų | 146 | 78.9 Ų | 78.9 | 78% | 0.781 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -75 | 40.2 | -176.9 | -160.5 | 15.6 | 0 | 0 | 0 | 113.3 | M1 | M1-D3 PolarHBondContact O-N 3.26Š|
| 4 | G | 56.8 | Low | 79.6 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 66% | 0.66 | 40% | 0.397 | S | S | * | . | trans | -150.7 | 38.2 | -160.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | T2 | T2-G4 PolarHBondContact O-N 3.25Š| ||
| 5 | D | 83.1 | Confident | 80.4 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -122.5 | 24.5 | 179.2 | -151.4 | 12.6 | 0 | 0 | 0 | 113.8 | R50 K67 | D5-R50 IonicContact OD2-NH1 3.85Å; D5-K67 VanDerWaalsContact O-CD 3.28Å; D5-K67 WeakPolarHBondContact O-CD 3.42Å; D5-K67 IonicContact OD1-NZ 2.64Å; D5-K67 PolarHBondContact OD1-NZ 3.02Å |
| 6 | Y | 88.4 | Confident | 81.3 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | trans | -141.5 | 147.7 | 171.7 | 60.8 | -94.6 | 0 | 0 | 0 | 110.8 | Y8 L9 H69 | Y6-Y8 WeakPolarHBondContact CD2-O 3.11Å; Y6-L9 HydrophobicContact CD2-CB 4.43Å; Y6-L9 HydrophobicContact CE2-CB 3.71Å; Y6-H69 HydrophobicContact CD1-CB 3.73Å; Y6-H69 HydrophobicContact CD2-CB 3.95Å; Y6-H69 HydrophobicContact CE1-CB 4.19Å; Y6-H69 HydrophobicContact CE2-CB 4.38Å; Y6-H69 HydrophobicContact CG-CB 3.6Å | ||
| 7 | D | 91.3 | Very high | 82 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -82.2 | -35.8 | 177.6 | -60.4 | -73.2 | 0 | 0 | 0 | 111.4 | F66 K67 | D7-F66 HydrophobicContact CB-CB 4.34Å; D7-F66 HydrophobicContact CB-CD1 4.17Å; D7-F66 WeakPolarHBondContact OD2-CA 3.41Å; D7-K67 PolarHBondContact N-O 3.35Å; D7-K67 PolarHBondContact OD2-N 3.47Å |
| 8 | Y | 93 | Very high | 82.5 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.6 | -178.4 | -62.6 | -72.4 | 0 | 0 | 0 | 112.5 | Y6 F66 K67 V68 H69 M182 M185 | Y6-Y8 WeakPolarHBondContact CD2-O 3.11Å; Y8-F66 HydrophobicContact CD2-CB 4.01Å; Y8-F66 HydrophobicContact CD2-CD1 4.18Å; Y8-F66 HydrophobicContact CD2-CG 4.22Å; Y8-F66 HydrophobicContact CE2-CB 4.06Å; Y8-F66 AromaticContact CE2-CD1 3.43Å; Y8-F66 HydrophobicContact CE2-CD1 3.43Å; Y8-F66 VanDerWaalsContact CE2-CD1 3.43Å; Y8-F66 HydrophobicContact CE2-CD2 4.45Å; Y8-F66 AromaticContact CE2-CE1 3.82Å; Y8-F66 HydrophobicContact CE2-CE1 3.82Å; Y8-F66 AromaticContact CE2-CG 3.75Å; Y8-F66 HydrophobicContact CE2-CG 3.75Å; Y8-F66 HydrophobicContact CE2-CZ 4.47Å; Y8-K67 PolarHBondContact N-O 3.14Å; Y8-V68 CarbonylContact O-C 3.55Å; Y8-V68 WeakPolarHBondContact O-CA 3.36Å; Y8-H69 PolarHBondContact O-N 3.14Å; Y8-M182 HydrophobicContact CD2-CE 3.61Å; Y8-M182 HydrophobicContact CD2-SD 4.31Å; Y8-M182 HydrophobicContact CE2-CE 3.66Å; Y8-M182 HydrophobicContact CG-CE 4.39Å; Y8-M185 HydrophobicContact CD1-CE 3.62Å; Y8-M185 HydrophobicContact CE1-CE 3.79Å |
| 9 | L | 93.8 | Very high | 83 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 31% | 0.314 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.6 | 165.1 | 176.5 | 63.4 | 0 | 0 | 0 | 108.3 | Y6 H69 Q71 | Y6-L9 HydrophobicContact CD2-CB 4.43Å; Y6-L9 HydrophobicContact CE2-CB 3.71Å; L9-H69 WeakPolarHBondContact CA-O 3.19Å; L9-H69 HydrophobicContact CD1-CB 4.29Å; L9-H69 WeakPolarHBondContact CD1-O 3.15Å; L9-Q71 HydrophobicContact CD1-CG 3.85Å |
| 10 | I | 94.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.5 | -179.9 | -57.6 | -63.6 | 0 | 0 | 0 | 109.6 | L12 V68 H69 L70 Q71 M93 L178 I181 M182 M185 | I10-L12 HydrophobicContact CG2-CD2 3.75Å; I10-L12 HydrophobicContact CG2-CG 4.25Å; I10-V68 HydrophobicContact CB-CG1 4.09Å; I10-V68 HydrophobicContact CG1-CG1 3.63Å; I10-H69 PolarHBondContact N-O 3.35Å; I10-L70 HydrophobicContact CB-CD2 3.95Å; I10-L70 HydrophobicContact CG2-CD2 4.21Å; I10-L70 WeakPolarHBondContact O-CA 3.17Å; I10-Q71 PolarHBondContact O-N 3.31Å; I10-M93 HydrophobicContact CB-SD 4.38Å; I10-M93 HydrophobicContact CD1-CE 4.26Å; I10-M93 HydrophobicContact CD1-SD 3.6Å; I10-M93 HydrophobicContact CG2-SD 4.19Å; I10-L178 HydrophobicContact CG1-CD1 4.13Å; I10-L178 HydrophobicContact CG2-CD1 4.31Å; I10-I181 HydrophobicContact CD1-CG2 4.04Å; I10-I181 HydrophobicContact CG2-CD1 4.01Å; I10-I181 HydrophobicContact CG2-CG2 4.3Å; I10-M182 HydrophobicContact CD1-SD 4.43Å; I10-M185 HydrophobicContact CD1-CE 4.39Å; I10-M185 HydrophobicContact CD1-SD 3.58Å; I10-M185 VanDerWaalsContact CD1-SD 3.58Å |
| 11 | K | 93.6 | Very high | 84.1 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.7 | 179.8 | -64.9 | 177.3 | 178.8 | -179.4 | 0 | 110.2 | Q71 D91 M93 | K11-Q71 CarbonylContact C-O 3.59Å; K11-Q71 WeakPolarHBondContact CA-O 3.41Å; K11-Q71 HydrophobicContact CG-CB 4.16Å; K11-D91 VanDerWaalsContact CD-O 3.27Å; K11-D91 WeakPolarHBondContact CD-O 3.38Å; K11-M93 PolarHBondContact O-N 2.88Å |
| 12 | L | 95.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.9 | 176.7 | -52.9 | -177.3 | 0 | 0 | 0 | 109.6 | I10 L70 Q71 L72 W73 G94 V174 L177 I181 | I10-L12 HydrophobicContact CG2-CD2 3.75Å; I10-L12 HydrophobicContact CG2-CG 4.25Å; L12-L70 HydrophobicContact CD1-CD2 4.31Å; L12-Q71 PolarHBondContact N-O 3.42Å; L12-L72 HydrophobicContact CB-CD2 4.19Å; L12-L72 HydrophobicContact CD1-CD2 3.92Å; L12-L72 HydrophobicContact CG-CD2 4.49Å; L12-W73 WeakPolarHBondContact O-CB 3.44Å; L12-W73 PolarHBondContact O-N 3.34Å; L12-G94 WeakPolarHBondContact CA-O 3.26Å; L12-V174 HydrophobicContact CD1-CG1 3.98Å; L12-L177 HydrophobicContact CD1-CD2 4.25Å; L12-L177 HydrophobicContact CD2-CD2 3.91Å; L12-L177 HydrophobicContact CD2-CG 4.13Å; L12-L177 HydrophobicContact CG-CD2 4.49Å; L12-I181 HydrophobicContact CD2-CD1 3.29Å |
| 13 | L | 94 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.6 | -179.9 | -170.7 | 69.7 | 0 | 0 | 0 | 110.7 | L15 W73 T75 F89 A92 G94 F95 L96 | L13-L15 HydrophobicContact CD2-CD1 4.31Å; L13-L15 HydrophobicContact CD2-CD2 3.74Å; L13-L15 HydrophobicContact CD2-CG 4.13Å; L13-L15 HydrophobicContact CG-CD2 3.95Å; L13-L15 HydrophobicContact CG-CG 4.18Å; L13-W73 HydrophobicContact CD1-CB 3.27Å; L13-W73 HydrophobicContact CD1-CG 4.25Å; L13-W73 HydrophobicContact CG-CB 4.47Å; L13-T75 HydrophobicContact CD1-CG2 3.34Å; L13-T75 HydrophobicContact CD2-CG2 4.29Å; L13-T75 HydrophobicContact CG-CG2 3.87Å; L13-F89 HydrophobicContact CD2-CD1 3.5Å; L13-F89 HydrophobicContact CD2-CE1 3.74Å; L13-A92 HydrophobicContact CB-CB 3.79Å; L13-A92 HydrophobicContact CD2-CB 4.41Å; L13-G94 PolarHBondContact N-O 3.09Å; L13-F95 HydrophobicContact CB-CD1 3.91Å; L13-F95 HydrophobicContact CB-CE1 4.19Å; L13-F95 HydrophobicContact CD2-CD1 4.01Å; L13-F95 HydrophobicContact CD2-CE1 3.75Å; L13-F95 HydrophobicContact CG-CD1 4.43Å; L13-F95 WeakPolarHBondContact O-CA 3.29Å; L13-L96 PolarHBondContact O-N 2.88Å |
| 14 | A | 94.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K22 L26 W73 T75 L96 | A14-K22 HydrophobicContact CB-CB 4.12Å; A14-K22 HydrophobicContact CB-CD 4.25Å; A14-K22 HydrophobicContact CB-CG 4.36Å; A14-L26 HydrophobicContact CB-CD1 3.99Å; A14-L26 HydrophobicContact CB-CG 4.37Å; A14-W73 PolarHBondContact N-O 3.21Å; A14-T75 WeakPolarHBondContact O-CG2 3.34Å; A14-T75 PolarHBondContact O-OG1 3.11Å; A14-L96 WeakPolarHBondContact CA-O 3.19Å; A14-L96 HydrophobicContact CB-CB 4.42Å |
| 15 | L | 92.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154 | -177.8 | -63.5 | 179.3 | 0 | 0 | 0 | 111.3 | L13 T75 T85 F89 F95 L96 L97 M98 W113 L117 | L13-L15 HydrophobicContact CD2-CD1 4.31Å; L13-L15 HydrophobicContact CD2-CD2 3.74Å; L13-L15 HydrophobicContact CD2-CG 4.13Å; L13-L15 HydrophobicContact CG-CD2 3.95Å; L13-L15 HydrophobicContact CG-CG 4.18Å; L15-T75 HydrophobicContact CD2-CG2 3.91Å; L15-T85 HydrophobicContact CD2-CG2 3.91Å; L15-F89 HydrophobicContact CD1-CE1 3.89Å; L15-F89 HydrophobicContact CD1-CE2 4.42Å; L15-F89 HydrophobicContact CD1-CZ 3.79Å; L15-F89 HydrophobicContact CD2-CE1 3.53Å; L15-F89 HydrophobicContact CD2-CZ 3.88Å; L15-F89 HydrophobicContact CG-CE1 4.37Å; L15-F95 HydrophobicContact CD1-CD1 3.53Å; L15-F95 HydrophobicContact CD1-CE1 4.12Å; L15-F95 HydrophobicContact CD1-CG 4.39Å; L15-F95 HydrophobicContact CG-CD1 4.27Å; L15-L96 PolarHBondContact N-O 3.22Å; L15-L97 HydrophobicContact CB-CD1 4.18Å; L15-M98 WeakPolarHBondContact O-CB 3.34Å; L15-M98 PolarHBondContact O-N 2.64Å; L15-W113 HydrophobicContact CB-CE3 4.44Å; L15-W113 HydrophobicContact CD2-CZ3 4.36Å; L15-L117 HydrophobicContact CD1-CD1 4.08Å; L15-L117 HydrophobicContact CD1-CG 4.48Å |
| 16 | G | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | 141.6 | 172.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | K22 G77 M98 W113 | G16-K22 PolarHBondContact O-NZ 2.64Å; G16-G77 WeakPolarHBondContact O-CA 3.47Å; G16-M98 WeakPolarHBondContact CA-O 3.36Å; G16-W113 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 17 | D | 92.8 | Very high | 94 | Very high | 28 Ų | 28 | 27 Ų | 27 | 15% | 0.15 | 15% | 0.147 | C | C | . | . | trans | -62.5 | 164.9 | -176.4 | -73.2 | 3.6 | 0 | 0 | 0 | 113 | V20 K22 N109 W113 | D17-V20 HydrophobicContact CB-CG1 3.81Å; D17-V20 VanDerWaalsContact O-CG2 3.28Å; D17-V20 WeakPolarHBondContact O-CG2 3.27Å; D17-K22 PolarHBondContact O-NZ 2.96Å; D17-N109 WeakPolarHBondContact OD2-CB 3.22Å; D17-N109 PolarHBondContact OD2-ND2 3.08Å; D17-W113 PolarHBondContact OD1-NE1 2.86Å | ||
| 18 | S | 91.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 24.7 Ų | 24.7 | 35% | 0.35 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 137.5 | 171.8 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | V20 G77 | S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 3.43Å; S18-G77 PolarHBondContact N-O 3.28Å |
| 19 | G | 92 | Very high | 94.4 | Very high | 27 Ų | 27 | 21.7 Ų | 21.7 | 28% | 0.278 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -5.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | G21 K134 | G19-G21 PolarHBondContact O-N 2.77Å; G19-K134 WeakPolarHBondContact O-CE 3.34Å; G19-K134 PolarHBondContact O-NZ 3.5Å |
| 20 | V | 95.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -69.6 | -13.6 | 177.5 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | D17 S18 K22 M98 D100 N133 | D17-V20 HydrophobicContact CB-CG1 3.81Å; D17-V20 VanDerWaalsContact O-CG2 3.28Å; D17-V20 WeakPolarHBondContact O-CG2 3.27Å; S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 3.43Å; V20-K22 HydrophobicContact CG2-CD 4.46Å; V20-K22 HydrophobicContact CG2-CG 3.76Å; V20-M98 HydrophobicContact CG2-CB 4.02Å; V20-D100 HydrophobicContact CB-CB 4.25Å; V20-D100 HydrophobicContact CG1-CB 4.13Å; V20-N133 PolarHBondContact O-ND2 3Å |
| 21 | G | 95.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 12% | 0.124 | 13% | 0.13 | C | C | . | . | trans | 99.7 | 25.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | G19 T24 F25 | G19-G21 PolarHBondContact O-N 2.77Å; G21-T24 PolarHBondContact O-N 3.32Å; G21-F25 VanDerWaalsContact O-CB 3.24Å; G21-F25 WeakPolarHBondContact O-CB 3.24Å; G21-F25 PolarHBondContact O-N 3.15Å | ||
| 22 | K | 95.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.1 | -56.6 | 177 | -59.1 | -172.8 | -63.8 | -75.9 | 0 | 113.1 | A14 G16 D17 V20 T24 F25 L26 D74 T75 M98 | A14-K22 HydrophobicContact CB-CB 4.12Å; A14-K22 HydrophobicContact CB-CD 4.25Å; A14-K22 HydrophobicContact CB-CG 4.36Å; G16-K22 PolarHBondContact O-NZ 2.64Å; D17-K22 PolarHBondContact O-NZ 2.96Å; V20-K22 HydrophobicContact CG2-CD 4.46Å; V20-K22 HydrophobicContact CG2-CG 3.76Å; K22-T24 VanDerWaalsContact C-N 3.34Å; K22-T24 PolarHBondContact O-N 3.3Å; K22-F25 WeakPolarHBondContact O-CB 3.24Å; K22-F25 PolarHBondContact O-N 2.84Å; K22-L26 WeakPolarHBondContact O-CG 3.39Å; K22-L26 PolarHBondContact O-N 2.87Å; K22-D74 WeakPolarHBondContact CB-OD1 3.39Å; K22-T75 WeakPolarHBondContact CE-O 3.44Å; K22-M98 HydrophobicContact CB-SD 4.2Å; K22-M98 HydrophobicContact CG-CB 4.44Å; K22-M98 HydrophobicContact CG-SD 3.86Å |
| 23 | T | 93.8 | Very high | 94 | Very high | 51 Ų | 51 | 32 Ų | 32 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.1 | -47.8 | 178.4 | -40.3 | 0 | 0 | 0 | 0 | 111.8 | F25 L26 Y27 T41 D74 | T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 3.33Å; T23-L26 PolarHBondContact O-N 3.5Å; T23-Y27 WeakPolarHBondContact O-CB 3.37Å; T23-Y27 PolarHBondContact O-N 3.14Å; T23-T41 PolarHBondContact OG1-OG1 2.88Å; T23-D74 VanDerWaalsContact CB-OD2 3.29Å; T23-D74 WeakPolarHBondContact CB-OD2 3.26Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.35Å; T23-D74 PolarHBondContact N-OD1 2.8Å; T23-D74 PolarHBondContact OG1-OD2 2.9Å |
| 24 | T | 95.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.9 | -36.2 | -179 | -44.1 | 0 | 0 | 0 | 0 | 112.1 | G21 K22 Y27 R28 F34 A164 | G21-T24 PolarHBondContact O-N 3.32Å; K22-T24 VanDerWaalsContact C-N 3.34Å; K22-T24 PolarHBondContact O-N 3.3Å; T24-Y27 PolarHBondContact O-N 3.36Å; T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 PolarHBondContact O-N 3.24Å; T24-F34 HydrophobicContact CG2-CD2 3.39Å; T24-F34 HydrophobicContact CG2-CE2 3.57Å; T24-A164 HydrophobicContact CG2-CB 3.94Å |
| 25 | F | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 174.5 | 178.8 | -82.2 | 0 | 0 | 0 | 111.4 | G21 K22 T23 Y27 R28 Y29 L96 M98 I131 T162 A164 V170 A173 V174 | G21-F25 VanDerWaalsContact O-CB 3.24Å; G21-F25 WeakPolarHBondContact O-CB 3.24Å; G21-F25 PolarHBondContact O-N 3.15Å; K22-F25 WeakPolarHBondContact O-CB 3.24Å; K22-F25 PolarHBondContact O-N 2.84Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 3.33Å; F25-Y27 VanDerWaalsContact C-N 3.32Å; F25-Y27 PolarHBondContact O-N 3.2Å; F25-R28 PolarHBondContact O-N 2.9Å; F25-Y29 PolarHBondContact O-N 3.34Å; F25-L96 HydrophobicContact CE1-CD1 4.16Å; F25-M98 HydrophobicContact CB-CE 3.6Å; F25-M98 HydrophobicContact CB-SD 4.21Å; F25-M98 HydrophobicContact CD1-CE 4.28Å; F25-M98 HydrophobicContact CD1-SD 4.34Å; F25-M98 HydrophobicContact CD2-CE 3.64Å; F25-M98 HydrophobicContact CE2-CE 4.39Å; F25-M98 HydrophobicContact CG-CE 3.58Å; F25-M98 HydrophobicContact CG-SD 4.18Å; F25-I131 HydrophobicContact CE1-CD1 4.31Å; F25-I131 HydrophobicContact CE2-CD1 4.2Å; F25-I131 HydrophobicContact CE2-CG2 4.29Å; F25-I131 HydrophobicContact CZ-CD1 3.8Å; F25-T162 HydrophobicContact CE2-CG2 4Å; F25-A164 HydrophobicContact CB-CB 4.35Å; F25-V170 HydrophobicContact CD1-CG1 4.44Å; F25-V170 HydrophobicContact CD2-CB 4.45Å; F25-V170 HydrophobicContact CD2-CG1 4.12Å; F25-V170 HydrophobicContact CD2-CG2 3.89Å; F25-V170 HydrophobicContact CE1-CG1 4.14Å; F25-V170 HydrophobicContact CE2-CB 3.97Å; F25-V170 HydrophobicContact CE2-CG1 3.81Å; F25-V170 HydrophobicContact CE2-CG2 3.74Å; F25-V170 HydrophobicContact CG-CG1 4.41Å; F25-V170 HydrophobicContact CZ-CB 4.28Å; F25-V170 HydrophobicContact CZ-CG1 3.81Å; F25-A173 HydrophobicContact CZ-CB 4.26Å; F25-V174 HydrophobicContact CE1-CG2 3.72Å; F25-V174 HydrophobicContact CZ-CG2 4.06Å |
| 26 | L | 95.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 176.2 | -64.8 | -178.1 | 0 | 0 | 0 | 111.7 | A14 K22 T23 Y29 T30 L72 D74 L96 | A14-L26 HydrophobicContact CB-CD1 3.99Å; A14-L26 HydrophobicContact CB-CG 4.37Å; K22-L26 WeakPolarHBondContact O-CG 3.39Å; K22-L26 PolarHBondContact O-N 2.87Å; T23-L26 PolarHBondContact O-N 3.5Å; L26-Y29 PolarHBondContact O-N 3.24Å; L26-T30 WeakPolarHBondContact O-CB 3.38Å; L26-T30 WeakPolarHBondContact O-CG2 3.48Å; L26-T30 PolarHBondContact O-N 3.19Å; L26-T30 PolarHBondContact O-OG1 3.2Å; L26-L72 HydrophobicContact CD1-CB 4.39Å; L26-L72 HydrophobicContact CD2-CB 4.03Å; L26-L72 HydrophobicContact CD2-CD2 4.05Å; L26-L72 HydrophobicContact CD2-CG 4.47Å; L26-D74 HydrophobicContact CD1-CB 3.78Å; L26-L96 HydrophobicContact CD2-CD1 4.02Å |
| 27 | Y | 94.3 | Very high | 91.7 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 174.1 | -156.4 | -99.5 | 0 | 0 | 0 | 111.7 | T23 T24 F25 Y29 T30 D31 K33 R47 | T23-Y27 WeakPolarHBondContact O-CB 3.37Å; T23-Y27 PolarHBondContact O-N 3.14Å; T24-Y27 PolarHBondContact O-N 3.36Å; F25-Y27 VanDerWaalsContact C-N 3.32Å; F25-Y27 PolarHBondContact O-N 3.2Å; Y27-Y29 PolarHBondContact O-N 3.25Å; Y27-T30 PolarHBondContact O-N 2.8Å; Y27-T30 PolarHBondContact O-OG1 3.34Å; Y27-D31 HydrophobicContact CE1-CB 4.3Å; Y27-D31 WeakPolarHBondContact CE2-OD2 3.23Å; Y27-D31 VanDerWaalsContact CZ-OD2 3.26Å; Y27-D31 PolarHBondContact O-N 3.29Å; Y27-D31 PolarHBondContact OH-OD2 3.05Å; Y27-K33 HydrophobicContact CD1-CB 3.88Å; Y27-K33 HydrophobicContact CE1-CB 3.52Å; Y27-K33 HydrophobicContact CE1-CD 4.25Å; Y27-R47 VanDerWaalsContact CD2-NH2 3.32Å |
| 28 | R | 96.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 57.3 Ų | 57.3 | 14% | 0.143 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.3 | 172.5 | 56.7 | 71.2 | -174 | 5.6 | 111.2 | T24 F25 N32 K33 A164 A165 V170 | T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 PolarHBondContact O-N 3.24Å; F25-R28 PolarHBondContact O-N 2.9Å; R28-N32 PolarHBondContact NH1-O 2.8Å; R28-N32 PolarHBondContact NH1-OD1 2.92Å; R28-N32 WeakPolarHBondContact O-CA 3.43Å; R28-N32 PolarHBondContact O-N 3.36Å; R28-N32 VanDerWaalsContact O-N 3.09Å; R28-K33 WeakPolarHBondContact CA-O 3.29Å; R28-A164 HydrophobicContact CB-CB 4.42Å; R28-A164 PolarHBondContact NE-O 2.68Å; R28-A165 PolarHBondContact NH2-O 3.13Å; R28-V170 HydrophobicContact CB-CG1 4.44Å; R28-V170 HydrophobicContact CG-CB 4.25Å; R28-V170 HydrophobicContact CG-CG1 4.03Å; R28-V170 HydrophobicContact CG-CG2 3.97Å |
| 29 | Y | 97 | Very high | 89.9 | Confident | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 179.3 | 179.5 | -108.5 | 0 | 0 | 0 | 113.1 | F25 L26 Y27 K49 L70 L72 V170 E171 V174 | F25-Y29 PolarHBondContact O-N 3.34Å; L26-Y29 PolarHBondContact O-N 3.24Å; Y27-Y29 PolarHBondContact O-N 3.25Å; Y29-K49 HydrophobicContact CD1-CD 3.92Å; Y29-K49 HydrophobicContact CE1-CB 4.39Å; Y29-K49 HydrophobicContact CE1-CD 3.42Å; Y29-K49 VanDerWaalsContact CE1-CD 3.42Å; Y29-K49 HydrophobicContact CE1-CG 4.5Å; Y29-K49 PolarHBondContact O-NZ 2.92Å; Y29-L70 HydrophobicContact CE1-CD1 3.84Å; Y29-L70 VanDerWaalsContact OH-CD1 3.28Å; Y29-L70 WeakPolarHBondContact OH-CD1 3.22Å; Y29-L72 HydrophobicContact CD1-CD1 3.64Å; Y29-L72 HydrophobicContact CD1-CD2 4.39Å; Y29-L72 HydrophobicContact CE1-CD1 3.92Å; Y29-L72 HydrophobicContact CE1-CD2 4.42Å; Y29-V170 HydrophobicContact CD2-CG1 4.42Å; Y29-E171 HydrophobicContact CE2-CG 4.37Å; Y29-V174 HydrophobicContact CD1-CG1 4.3Å; Y29-V174 HydrophobicContact CD1-CG2 4.38Å; Y29-V174 HydrophobicContact CD2-CB 4.04Å; Y29-V174 HydrophobicContact CD2-CG1 4.39Å; Y29-V174 HydrophobicContact CD2-CG2 3.91Å; Y29-V174 HydrophobicContact CE1-CB 4.4Å; Y29-V174 HydrophobicContact CE1-CG1 3.72Å; Y29-V174 HydrophobicContact CE2-CB 3.71Å; Y29-V174 HydrophobicContact CE2-CG1 3.83Å; Y29-V174 HydrophobicContact CE2-CG2 4.12Å; Y29-V174 HydrophobicContact CG-CG2 4.04Å; Y29-V174 VanDerWaalsContact CZ-CG1 3.44Å |
| 30 | T | 94.9 | Very high | 89.3 | Confident | 24 Ų | 24 | 62 Ų | 62 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -83 | -49.2 | -174.5 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | L26 Y27 R47 K49 L72 | L26-T30 WeakPolarHBondContact O-CB 3.38Å; L26-T30 WeakPolarHBondContact O-CG2 3.48Å; L26-T30 PolarHBondContact O-N 3.19Å; L26-T30 PolarHBondContact O-OG1 3.2Å; Y27-T30 PolarHBondContact O-N 2.8Å; Y27-T30 PolarHBondContact O-OG1 3.34Å; T30-R47 HydrophobicContact CG2-CB 4.01Å; T30-R47 PolarHBondContact OG1-NH1 2.85Å; T30-K49 HydrophobicContact CG2-CB 4.26Å; T30-L72 HydrophobicContact CG2-CD1 3.39Å |
| 31 | D | 92.2 | Very high | 88.3 | Confident | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -107.6 | -3.5 | -170.4 | -65.2 | -18.9 | 0 | 0 | 0 | 113.3 | Y27 K33 R47 | Y27-D31 HydrophobicContact CE1-CB 4.3Å; Y27-D31 WeakPolarHBondContact CE2-OD2 3.23Å; Y27-D31 VanDerWaalsContact CZ-OD2 3.26Å; Y27-D31 PolarHBondContact O-N 3.29Å; Y27-D31 PolarHBondContact OH-OD2 3.05Å; D31-K33 HydrophobicContact CB-CB 4.3Å; D31-K33 HydrophobicContact CB-CD 4.22Å; D31-K33 HydrophobicContact CB-CG 4.38Å; D31-K33 WeakPolarHBondContact O-CG 3.49Å; D31-K33 PolarHBondContact O-N 3.03Å; D31-R47 VanDerWaalsContact CG-NH1 3.27Å; D31-R47 IonicContact OD1-NH1 3.77Å; D31-R47 IonicContact OD2-CZ 2.85Å; D31-R47 IonicContact OD2-NH1 3.62Å; D31-R47 PolarHBondContact OD2-NH1 3.2Å; D31-R47 IonicContact OD2-NH2 3.85Å |
| 32 | N | 91.8 | Very high | 87.4 | Confident | 119 Ų | 119 | 68 Ų | 68 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 48.4 | 40.7 | -170.5 | -162.7 | 18.8 | 0 | 0 | 0 | 113.2 | R28 | R28-N32 PolarHBondContact NH1-O 2.8Å; R28-N32 PolarHBondContact NH1-OD1 2.92Å; R28-N32 WeakPolarHBondContact O-CA 3.43Å; R28-N32 PolarHBondContact O-N 3.36Å; R28-N32 VanDerWaalsContact O-N 3.09Å |
| 33 | K | 88.3 | Confident | 86.4 | Confident | 124 Ų | 124 | 68.1 Ų | 68.1 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | trans | -125.7 | 154.8 | -180 | -74.4 | 172.5 | -169.7 | 175.3 | 0 | 110.6 | Y27 R28 D31 | Y27-K33 HydrophobicContact CD1-CB 3.88Å; Y27-K33 HydrophobicContact CE1-CB 3.52Å; Y27-K33 HydrophobicContact CE1-CD 4.25Å; R28-K33 WeakPolarHBondContact CA-O 3.29Å; D31-K33 HydrophobicContact CB-CB 4.3Å; D31-K33 HydrophobicContact CB-CD 4.22Å; D31-K33 HydrophobicContact CB-CG 4.38Å; D31-K33 WeakPolarHBondContact O-CG 3.49Å; D31-K33 PolarHBondContact O-N 3.03Å | ||
| 34 | F | 85.8 | Confident | 85.8 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | trans | -125.8 | 127.5 | 171.8 | 173.5 | -103.3 | 0 | 0 | 0 | 109.4 | T24 P36 A165 | T24-F34 HydrophobicContact CG2-CD2 3.39Å; T24-F34 HydrophobicContact CG2-CE2 3.57Å; F34-P36 HydrophobicContact CE1-CB 3.8Å; F34-P36 HydrophobicContact CZ-CB 4.35Å; F34-A165 HydrophobicContact CD2-CB 4.14Å; F34-A165 HydrophobicContact CE1-CB 4.34Å; F34-A165 HydrophobicContact CE2-CB 3.88Å; F34-A165 HydrophobicContact CG-CB 4.48Å; F34-A165 HydrophobicContact CZ-CB 4Å | ||
| 35 | N | 82.9 | Confident | 85.4 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | trans | -108.6 | 114.8 | 170.9 | -173.9 | -6.5 | 0 | 0 | 0 | 108.3 | K37 | N35-K37 PolarHBondContact O-N 2.55Å; N35-K37 WeakPolarHBondContact OD1-CB 3.3Å; N35-K37 PolarHBondContact OD1-N 2.9Å | ||
| 36 | P | 78.1 | Confident | 84.9 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 67% | 0.669 | 38% | 0.377 | S | S | * | . | trans | -70.5 | -16.9 | 179.7 | 27.7 | -34 | 0 | 0 | 0 | 112.8 | F34 F38 | F34-P36 HydrophobicContact CE1-CB 3.8Å; F34-P36 HydrophobicContact CZ-CB 4.35Å; P36-F38 PolarHBondContact O-N 3.25Å | ||
| 37 | K | 80.3 | Confident | 84.7 | Confident | 163 Ų | 163 | 77.9 Ų | 77.9 | 71% | 0.709 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -71.6 | 113.3 | 178.3 | -65.5 | -175.7 | 179.6 | -179.9 | 0 | 109.5 | N35 I39 | N35-K37 PolarHBondContact O-N 2.55Å; N35-K37 WeakPolarHBondContact OD1-CB 3.3Å; N35-K37 PolarHBondContact OD1-N 2.9Å; K37-I39 PolarHBondContact O-N 3.43Å |
| 38 | F | 69.9 | Low | 84.7 | Confident | 129 Ų | 129 | 79 Ų | 79 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | trans | -71.6 | 114.2 | 171.3 | -177 | -106.5 | 0 | 0 | 0 | 110 | P36 T40 | P36-F38 PolarHBondContact O-N 3.25Å; F38-T40 VanDerWaalsContact CE1-OG1 3.25Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.4Å | ||
| 39 | I | 77.4 | Confident | 84.7 | Confident | 126 Ų | 126 | 79.5 Ų | 79.5 | 65% | 0.646 | 40% | 0.4 | S | S | * | . | trans | -115.4 | 123.3 | 168.5 | -57.6 | 177.4 | 0 | 0 | 0 | 105.9 | K37 T41 | K37-I39 PolarHBondContact O-N 3.43Å; I39-T41 PolarHBondContact O-N 2.97Å | ||
| 40 | T | 77.9 | Confident | 84.6 | Confident | 49 Ų | 49 | 86.2 Ų | 86.2 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 126.2 | 178.2 | -52.9 | 0 | 0 | 0 | 0 | 109.4 | F38 V42 Q78 | F38-T40 VanDerWaalsContact CE1-OG1 3.25Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.4Å; T40-V42 PolarHBondContact O-N 3.45Å; T40-Q78 HydrophobicContact CG2-CG 4.41Å |
| 41 | T | 76.4 | Confident | 84.6 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 15% | 0.147 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -61 | 124.3 | 169.7 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | T23 I39 D74 A76 | T23-T41 PolarHBondContact OG1-OG1 2.88Å; I39-T41 PolarHBondContact O-N 2.97Å; T41-D74 PolarHBondContact OG1-OD2 2.81Å; T41-A76 WeakPolarHBondContact O-CB 3.09Å |
| 42 | V | 75.1 | Confident | 84.7 | Confident | 118 Ų | 118 | 87.4 Ų | 87.4 | 72% | 0.715 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 119.3 | 172.2 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | T40 F81 | T40-V42 PolarHBondContact O-N 3.45Å; V42-F81 HydrophobicContact CG1-CZ 4.13Å |
| 43 | G | 74.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 82.9 Ų | 82.9 | 11% | 0.113 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 73.8 | -125.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A76 | G43-A76 WeakPolarHBondContact O-CB 3.37Å; G43-A76 PolarHBondContact O-N 3.04Å |
| 44 | I | 80.4 | Confident | 84.8 | Confident | 42 Ų | 42 | 82.1 Ų | 82.1 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.1 | -173.8 | -67.1 | 171.6 | 0 | 0 | 0 | 108.4 | W73 D74 L84 F88 | I44-W73 HydrophobicContact CG2-CE3 3.58Å; I44-W73 HydrophobicContact CG2-CZ3 3.92Å; I44-D74 WeakPolarHBondContact CA-O 3.42Å; I44-L84 HydrophobicContact CD1-CD2 4.37Å; I44-L84 HydrophobicContact CD1-CG 3.97Å; I44-L84 HydrophobicContact CG1-CD2 4.43Å; I44-F88 HydrophobicContact CD1-CD1 4.39Å; I44-F88 HydrophobicContact CD1-CD2 3.1Å; I44-F88 HydrophobicContact CD1-CE1 4.38Å; I44-F88 HydrophobicContact CD1-CE2 3.11Å; I44-F88 HydrophobicContact CD1-CG 3.8Å; I44-F88 HydrophobicContact CD1-CZ 3.78Å; I44-F88 HydrophobicContact CG1-CE2 4.48Å |
| 45 | D | 86.8 | Confident | 84.6 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 163 | 173 | -166.2 | 10.8 | 0 | 0 | 0 | 108.6 | D74 | D45-D74 HydrophobicContact CB-CB 4.44Å; D45-D74 PolarHBondContact N-O 2.83Å; D45-D74 VanDerWaalsContact N-O 3.09Å; D45-D74 PolarHBondContact O-N 2.77Å |
| 46 | F | 87.7 | Confident | 84.3 | Confident | 95 Ų | 95 | 82.8 Ų | 82.8 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.4 | 172.7 | 75.6 | -84.8 | 0 | 0 | 0 | 111.8 | E48 L72 W73 | F46-E48 HydrophobicContact CD2-CG 4.03Å; F46-E48 HydrophobicContact CE2-CG 3.91Å; F46-L72 CarbonylContact C-O 3.57Å; F46-L72 VanDerWaalsContact CA-O 3.27Å; F46-L72 WeakPolarHBondContact CA-O 3.32Å; F46-W73 HydrophobicContact CB-CD2 3.98Å; F46-W73 HydrophobicContact CB-CE3 4.02Å; F46-W73 HydrophobicContact CB-CG 4.31Å; F46-W73 HydrophobicContact CB-CZ3 4.45Å; F46-W73 HydrophobicContact CD1-CH2 4.45Å; F46-W73 HydrophobicContact CD1-CZ3 4.39Å |
| 47 | R | 91.5 | Very high | 83.9 | Confident | 68 Ų | 68 | 78.6 Ų | 78.6 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 154.5 | 176.7 | -64.7 | -172.9 | 147.9 | -108.7 | -24 | 110.5 | Y27 T30 D31 L72 | Y27-R47 VanDerWaalsContact CD2-NH2 3.32Å; T30-R47 HydrophobicContact CG2-CB 4.01Å; T30-R47 PolarHBondContact OG1-NH1 2.85Å; D31-R47 VanDerWaalsContact CG-NH1 3.27Å; D31-R47 IonicContact OD1-NH1 3.77Å; D31-R47 IonicContact OD2-CZ 2.85Å; D31-R47 IonicContact OD2-NH1 3.62Å; D31-R47 PolarHBondContact OD2-NH1 3.2Å; D31-R47 IonicContact OD2-NH2 3.85Å; R47-L72 HydrophobicContact CB-CB 4.44Å; R47-L72 PolarHBondContact N-O 3.28Å; R47-L72 PolarHBondContact O-N 3.01Å |
| 48 | E | 95 | Very high | 83.1 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.8 | -179.9 | -57 | -168.4 | 126.6 | 0 | 0 | 111.1 | F46 H69 L70 Q71 | F46-E48 HydrophobicContact CD2-CG 4.03Å; F46-E48 HydrophobicContact CE2-CG 3.91Å; E48-H69 IonicContact OE1-CD2 3.73Å; E48-H69 IonicContact OE1-CE1 2.7Å; E48-H69 IonicContact OE1-NE2 3.74Å; E48-H69 PolarHBondContact OE1-NE2 3.23Å; E48-H69 IonicContact OE2-CE1 3.64Å; E48-H69 IonicContact OE2-NE2 3.97Å; E48-H69 PolarHBondContact OE2-NE2 3.03Å; E48-L70 WeakPolarHBondContact CA-O 3.37Å; E48-Q71 HydrophobicContact CG-CG 4.22Å; E48-Q71 PolarHBondContact OE1-NE2 2.94Å |
| 49 | K | 95.1 | Very high | 83 | Confident | 49 Ų | 49 | 78 Ų | 78 | 21% | 0.213 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 128.2 | 172.2 | -168.4 | -177.8 | -176.2 | 179 | 0 | 109.5 | Y29 T30 V51 L70 L72 | Y29-K49 HydrophobicContact CD1-CD 3.92Å; Y29-K49 HydrophobicContact CE1-CB 4.39Å; Y29-K49 HydrophobicContact CE1-CD 3.42Å; Y29-K49 VanDerWaalsContact CE1-CD 3.42Å; Y29-K49 HydrophobicContact CE1-CG 4.5Å; Y29-K49 PolarHBondContact O-NZ 2.92Å; T30-K49 HydrophobicContact CG2-CB 4.26Å; K49-V51 HydrophobicContact CD-CG1 3.95Å; K49-V51 HydrophobicContact CG-CG1 3.98Å; K49-L70 PolarHBondContact N-O 3.01Å; K49-L70 WeakPolarHBondContact O-CB 3.25Å; K49-L70 PolarHBondContact O-N 3.04Å; K49-L72 HydrophobicContact CB-CD1 4.48Å |
| 50 | R | 94.9 | Very high | 82.5 | Confident | 152 Ų | 152 | 74.9 Ų | 74.9 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128.4 | 169.6 | -66.9 | -176.6 | 178.8 | -172.6 | 1 | 109.2 | D5 V68 | D5-R50 IonicContact OD2-NH1 3.85Å; R50-V68 WeakPolarHBondContact CA-O 3.3Å |
| 51 | V | 95.1 | Very high | 82.2 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 161 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | K49 V68 L70 L178 | K49-V51 HydrophobicContact CD-CG1 3.95Å; K49-V51 HydrophobicContact CG-CG1 3.98Å; V51-V68 HydrophobicContact CG2-CB 3.84Å; V51-V68 HydrophobicContact CG2-CG1 4.36Å; V51-V68 PolarHBondContact N-O 3.41Å; V51-V68 PolarHBondContact O-N 3.2Å; V51-L70 HydrophobicContact CG1-CD1 4.01Å; V51-L70 HydrophobicContact CG2-CD1 3.9Å; V51-L70 HydrophobicContact CG2-CG 4.02Å; V51-L178 HydrophobicContact CG2-CD2 3.93Å |
| 52 | V | 93.8 | Very high | 81.8 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.2 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | A65 F66 | V52-A65 HydrophobicContact CG1-CB 4.02Å; V52-F66 CarbonylContact C-O 3.59Å; V52-F66 WeakPolarHBondContact CA-O 3.32Å |
| 53 | Y | 92.1 | Very high | 81.7 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 10% | 0.098 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.1 | 174 | 175.9 | -101.8 | 0 | 0 | 0 | 109.3 | A55 A65 F66 L178 D179 M182 | Y53-A55 HydrophobicContact CE1-CB 3.97Å; Y53-A65 CarbonylContact O-C 3.59Å; Y53-A65 WeakPolarHBondContact O-CA 3.43Å; Y53-F66 HydrophobicContact CD1-CD2 4.12Å; Y53-F66 PolarHBondContact N-O 3.36Å; Y53-F66 PolarHBondContact O-N 3.29Å; Y53-L178 HydrophobicContact CD2-CD2 4.31Å; Y53-L178 HydrophobicContact CD2-CG 4.28Å; Y53-D179 HydrophobicContact CE2-CB 4.29Å; Y53-D179 PolarHBondContact OH-OD1 3.07Å; Y53-M182 HydrophobicContact CD1-CB 4.24Å; Y53-M182 HydrophobicContact CD1-CE 3.56Å; Y53-M182 HydrophobicContact CD1-CG 3.91Å; Y53-M182 HydrophobicContact CD2-CG 4.21Å; Y53-M182 HydrophobicContact CE1-CB 3.66Å; Y53-M182 HydrophobicContact CE1-CE 3.91Å; Y53-M182 HydrophobicContact CE1-CG 3.86Å; Y53-M182 HydrophobicContact CE2-CB 4.19Å; Y53-M182 HydrophobicContact CE2-CG 4.17Å; Y53-M182 HydrophobicContact CG-CE 4.29Å; Y53-M182 HydrophobicContact CG-CG 4.07Å |
| 54 | N | 89.6 | Confident | 82.1 | Confident | 107 Ų | 107 | 82.2 Ų | 82.2 | 57% | 0.572 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 105.4 | 176.9 | -61.3 | -58.9 | 0 | 0 | 0 | 108.6 | A65 | N54-A65 VanDerWaalsContact OD1-CB 3.31Å; N54-A65 WeakPolarHBondContact OD1-CB 3.34Å |
| 55 | A | 81.6 | Confident | 82.4 | Confident | 11 Ų | 11 | 82.6 Ų | 82.6 | 9% | 0.091 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 142.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y53 G63 K64 F66 | Y53-A55 HydrophobicContact CE1-CB 3.97Å; A55-G63 WeakPolarHBondContact O-CA 3.49Å; A55-G63 PolarHBondContact O-N 3.03Å; A55-K64 PolarHBondContact N-O 3.26Å; A55-F66 HydrophobicContact CB-CE2 4.18Å |
| 56 | Q | 78.1 | Confident | 82.6 | Confident | 172 Ų | 172 | 79.6 Ų | 79.6 | 80% | 0.804 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.6 | 169 | -63.7 | -155.4 | -0.5 | 0 | 0 | 109 | ||
| 57 | G | 68.4 | Low | 83 | Confident | 14 Ų | 14 | 79.8 Ų | 79.8 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 167.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N59 G60 S61 | G57-N59 PolarHBondContact O-N 2.84Å; G57-G60 PolarHBondContact O-N 3.04Å; G57-S61 WeakPolarHBondContact CA-O 3.37Å; G57-S61 PolarHBondContact N-O 3.39Å |
| 58 | P | 63.8 | Low | 83.2 | Confident | 107 Ų | 107 | 76.6 Ų | 76.6 | 70% | 0.695 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -52.1 | 137.4 | 172.3 | -14.6 | 23.2 | 0 | 0 | 0 | 109.9 | G60 S61 | P58-G60 VanDerWaalsContact C-N 3.31Å; P58-G60 PolarHBondContact O-N 3.26Å; P58-S61 PolarHBondContact O-OG 3.05Å |
| 59 | N | 68.3 | Low | 83.2 | Confident | 173 Ų | 173 | 72.9 Ų | 72.9 | 93% | 0.925 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | 64.1 | 26 | 177.4 | -48.9 | -39.2 | 0 | 0 | 0 | 115.5 | G57 S61 | G57-N59 PolarHBondContact O-N 2.84Å; N59-S61 VanDerWaalsContact C-N 3.32Å; N59-S61 PolarHBondContact O-N 3.08Å |
| 60 | G | 65.8 | Low | 83.3 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 63% | 0.629 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | 78.6 | 13.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G57 P58 | G57-G60 PolarHBondContact O-N 3.04Å; P58-G60 VanDerWaalsContact C-N 3.31Å; P58-G60 PolarHBondContact O-N 3.26Å |
| 61 | S | 72.8 | Confident | 83.3 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 44% | 0.441 | 38% | 0.384 | S | S | . | . | trans | -69 | 148.7 | 169.7 | 53 | 0 | 0 | 0 | 0 | 110.8 | G57 P58 N59 G63 | G57-S61 WeakPolarHBondContact CA-O 3.37Å; G57-S61 PolarHBondContact N-O 3.39Å; P58-S61 PolarHBondContact O-OG 3.05Å; N59-S61 VanDerWaalsContact C-N 3.32Å; N59-S61 PolarHBondContact O-N 3.08Å; S61-G63 PolarHBondContact O-N 2.91Å; S61-G63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | S | 67.9 | Low | 83.3 | Confident | 126 Ų | 126 | 63.6 Ų | 63.6 | 88% | 0.881 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 113.1 | 172.1 | -61.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 63 | G | 72.5 | Confident | 83.3 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -170.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A55 S61 | A55-G63 WeakPolarHBondContact O-CA 3.49Å; A55-G63 PolarHBondContact O-N 3.03Å; S61-G63 PolarHBondContact O-N 2.91Å; S61-G63 VanDerWaalsContact O-N 3.11Å |
| 64 | K | 82.5 | Confident | 83.2 | Confident | 136 Ų | 136 | 60.8 Ų | 60.8 | 59% | 0.591 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 134.8 | 178.7 | -174.5 | 172.8 | 172.2 | -171.5 | 0 | 110.2 | A55 F66 | A55-K64 PolarHBondContact N-O 3.26Å; K64-F66 HydrophobicContact CB-CE2 3.96Å; K64-F66 HydrophobicContact CB-CZ 3.92Å; K64-F66 HydrophobicContact CD-CD1 4.32Å; K64-F66 HydrophobicContact CD-CE1 3.56Å; K64-F66 HydrophobicContact CD-CE2 4.47Å; K64-F66 HydrophobicContact CD-CZ 3.66Å; K64-F66 HydrophobicContact CG-CD1 4.39Å; K64-F66 HydrophobicContact CG-CE1 3.97Å; K64-F66 HydrophobicContact CG-CE2 4.19Å; K64-F66 HydrophobicContact CG-CZ 3.86Å; K64-F66 WeakPolarHBondContact O-CD2 3.48Å |
| 65 | A | 88.1 | Confident | 83 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V52 Y53 N54 | V52-A65 HydrophobicContact CG1-CB 4.02Å; Y53-A65 CarbonylContact O-C 3.59Å; Y53-A65 WeakPolarHBondContact O-CA 3.43Å; N54-A65 VanDerWaalsContact OD1-CB 3.31Å; N54-A65 WeakPolarHBondContact OD1-CB 3.34Å |
| 66 | F | 91.1 | Very high | 82.9 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.3 | 178.9 | -60.8 | -80.8 | 0 | 0 | 0 | 110.1 | D7 Y8 V52 Y53 A55 K64 V68 M182 | D7-F66 HydrophobicContact CB-CB 4.34Å; D7-F66 HydrophobicContact CB-CD1 4.17Å; D7-F66 WeakPolarHBondContact OD2-CA 3.41Å; Y8-F66 HydrophobicContact CD2-CB 4.01Å; Y8-F66 HydrophobicContact CD2-CD1 4.18Å; Y8-F66 HydrophobicContact CD2-CG 4.22Å; Y8-F66 HydrophobicContact CE2-CB 4.06Å; Y8-F66 AromaticContact CE2-CD1 3.43Å; Y8-F66 HydrophobicContact CE2-CD1 3.43Å; Y8-F66 VanDerWaalsContact CE2-CD1 3.43Å; Y8-F66 HydrophobicContact CE2-CD2 4.45Å; Y8-F66 AromaticContact CE2-CE1 3.82Å; Y8-F66 HydrophobicContact CE2-CE1 3.82Å; Y8-F66 AromaticContact CE2-CG 3.75Å; Y8-F66 HydrophobicContact CE2-CG 3.75Å; Y8-F66 HydrophobicContact CE2-CZ 4.47Å; V52-F66 CarbonylContact C-O 3.59Å; V52-F66 WeakPolarHBondContact CA-O 3.32Å; Y53-F66 HydrophobicContact CD1-CD2 4.12Å; Y53-F66 PolarHBondContact N-O 3.36Å; Y53-F66 PolarHBondContact O-N 3.29Å; A55-F66 HydrophobicContact CB-CE2 4.18Å; K64-F66 HydrophobicContact CB-CE2 3.96Å; K64-F66 HydrophobicContact CB-CZ 3.92Å; K64-F66 HydrophobicContact CD-CD1 4.32Å; K64-F66 HydrophobicContact CD-CE1 3.56Å; K64-F66 HydrophobicContact CD-CE2 4.47Å; K64-F66 HydrophobicContact CD-CZ 3.66Å; K64-F66 HydrophobicContact CG-CD1 4.39Å; K64-F66 HydrophobicContact CG-CE1 3.97Å; K64-F66 HydrophobicContact CG-CE2 4.19Å; K64-F66 HydrophobicContact CG-CZ 3.86Å; K64-F66 WeakPolarHBondContact O-CD2 3.48Å; F66-V68 PolarHBondContact O-N 3.26Å; F66-M182 HydrophobicContact CB-CE 4.49Å; F66-M182 HydrophobicContact CD2-CE 4.29Å; F66-M182 HydrophobicContact CG-CE 4.49Å |
| 67 | K | 94.2 | Very high | 82.4 | Confident | 99 Ų | 99 | 47.5 Ų | 47.5 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.9 | 169.9 | -64.2 | -176.4 | -172.9 | -179.7 | 0 | 108.6 | D5 D7 Y8 | D5-K67 VanDerWaalsContact O-CD 3.28Å; D5-K67 WeakPolarHBondContact O-CD 3.42Å; D5-K67 IonicContact OD1-NZ 2.64Å; D5-K67 PolarHBondContact OD1-NZ 3.02Å; D7-K67 PolarHBondContact N-O 3.35Å; D7-K67 PolarHBondContact OD2-N 3.47Å; Y8-K67 PolarHBondContact N-O 3.14Å |
| 68 | V | 95.7 | Very high | 82.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.3 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | Y8 I10 R50 V51 F66 L70 L178 | Y8-V68 CarbonylContact O-C 3.55Å; Y8-V68 WeakPolarHBondContact O-CA 3.36Å; I10-V68 HydrophobicContact CB-CG1 4.09Å; I10-V68 HydrophobicContact CG1-CG1 3.63Å; R50-V68 WeakPolarHBondContact CA-O 3.3Å; V51-V68 HydrophobicContact CG2-CB 3.84Å; V51-V68 HydrophobicContact CG2-CG1 4.36Å; V51-V68 PolarHBondContact N-O 3.41Å; V51-V68 PolarHBondContact O-N 3.2Å; F66-V68 PolarHBondContact O-N 3.26Å; V68-L70 HydrophobicContact CG1-CD2 3.74Å; V68-L70 HydrophobicContact CG1-CG 4.26Å; V68-L178 HydrophobicContact CG1-CD1 4.14Å |
| 69 | H | 96.2 | Very high | 82.2 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 107 | 168.5 | -169.6 | 96.3 | 0 | 0 | 0 | 108.2 | Y6 Y8 L9 I10 E48 | Y6-H69 HydrophobicContact CD1-CB 3.73Å; Y6-H69 HydrophobicContact CD2-CB 3.95Å; Y6-H69 HydrophobicContact CE1-CB 4.19Å; Y6-H69 HydrophobicContact CE2-CB 4.38Å; Y6-H69 HydrophobicContact CG-CB 3.6Å; Y8-H69 PolarHBondContact O-N 3.14Å; L9-H69 WeakPolarHBondContact CA-O 3.19Å; L9-H69 HydrophobicContact CD1-CB 4.29Å; L9-H69 WeakPolarHBondContact CD1-O 3.15Å; I10-H69 PolarHBondContact N-O 3.35Å; E48-H69 IonicContact OE1-CD2 3.73Å; E48-H69 IonicContact OE1-CE1 2.7Å; E48-H69 IonicContact OE1-NE2 3.74Å; E48-H69 PolarHBondContact OE1-NE2 3.23Å; E48-H69 IonicContact OE2-CE1 3.64Å; E48-H69 IonicContact OE2-NE2 3.97Å; E48-H69 PolarHBondContact OE2-NE2 3.03Å |
| 70 | L | 96.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.8 | 178 | -62.7 | 177 | 0 | 0 | 0 | 109.8 | I10 L12 Y29 E48 K49 V51 V68 L72 V174 L178 | I10-L70 HydrophobicContact CB-CD2 3.95Å; I10-L70 HydrophobicContact CG2-CD2 4.21Å; I10-L70 WeakPolarHBondContact O-CA 3.17Å; L12-L70 HydrophobicContact CD1-CD2 4.31Å; Y29-L70 HydrophobicContact CE1-CD1 3.84Å; Y29-L70 VanDerWaalsContact OH-CD1 3.28Å; Y29-L70 WeakPolarHBondContact OH-CD1 3.22Å; E48-L70 WeakPolarHBondContact CA-O 3.37Å; K49-L70 PolarHBondContact N-O 3.01Å; K49-L70 WeakPolarHBondContact O-CB 3.25Å; K49-L70 PolarHBondContact O-N 3.04Å; V51-L70 HydrophobicContact CG1-CD1 4.01Å; V51-L70 HydrophobicContact CG2-CD1 3.9Å; V51-L70 HydrophobicContact CG2-CG 4.02Å; V68-L70 HydrophobicContact CG1-CD2 3.74Å; V68-L70 HydrophobicContact CG1-CG 4.26Å; L70-L72 HydrophobicContact CB-CG 4.4Å; L70-V174 HydrophobicContact CD1-CG1 4.41Å; L70-L178 HydrophobicContact CD2-CD1 4.11Å; L70-L178 HydrophobicContact CD2-CD2 4.46Å |
| 71 | Q | 95.8 | Very high | 81.8 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 15% | 0.15 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 112.5 | 163.2 | -75.4 | -175.6 | -16.9 | 0 | 0 | 108.9 | L9 I10 K11 L12 E48 | L9-Q71 HydrophobicContact CD1-CG 3.85Å; I10-Q71 PolarHBondContact O-N 3.31Å; K11-Q71 CarbonylContact C-O 3.59Å; K11-Q71 WeakPolarHBondContact CA-O 3.41Å; K11-Q71 HydrophobicContact CG-CB 4.16Å; L12-Q71 PolarHBondContact N-O 3.42Å; E48-Q71 HydrophobicContact CG-CG 4.22Å; E48-Q71 PolarHBondContact OE1-NE2 2.94Å |
| 72 | L | 94.7 | Very high | 81.5 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 101.8 | -175.4 | -61.6 | 155.8 | 0 | 0 | 0 | 108.5 | L12 L26 Y29 T30 F46 R47 K49 L70 | L12-L72 HydrophobicContact CB-CD2 4.19Å; L12-L72 HydrophobicContact CD1-CD2 3.92Å; L12-L72 HydrophobicContact CG-CD2 4.49Å; L26-L72 HydrophobicContact CD1-CB 4.39Å; L26-L72 HydrophobicContact CD2-CB 4.03Å; L26-L72 HydrophobicContact CD2-CD2 4.05Å; L26-L72 HydrophobicContact CD2-CG 4.47Å; Y29-L72 HydrophobicContact CD1-CD1 3.64Å; Y29-L72 HydrophobicContact CD1-CD2 4.39Å; Y29-L72 HydrophobicContact CE1-CD1 3.92Å; Y29-L72 HydrophobicContact CE1-CD2 4.42Å; T30-L72 HydrophobicContact CG2-CD1 3.39Å; F46-L72 CarbonylContact C-O 3.57Å; F46-L72 VanDerWaalsContact CA-O 3.27Å; F46-L72 WeakPolarHBondContact CA-O 3.32Å; R47-L72 HydrophobicContact CB-CB 4.44Å; R47-L72 PolarHBondContact N-O 3.28Å; R47-L72 PolarHBondContact O-N 3.01Å; K49-L72 HydrophobicContact CB-CD1 4.48Å; L70-L72 HydrophobicContact CB-CG 4.4Å |
| 73 | W | 92.9 | Very high | 81.5 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 19% | 0.186 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.4 | -177.6 | -67.9 | 82.4 | 0 | 0 | 0 | 110.3 | L12 L13 A14 I44 F46 F88 | L12-W73 WeakPolarHBondContact O-CB 3.44Å; L12-W73 PolarHBondContact O-N 3.34Å; L13-W73 HydrophobicContact CD1-CB 3.27Å; L13-W73 HydrophobicContact CD1-CG 4.25Å; L13-W73 HydrophobicContact CG-CB 4.47Å; A14-W73 PolarHBondContact N-O 3.21Å; I44-W73 HydrophobicContact CG2-CE3 3.58Å; I44-W73 HydrophobicContact CG2-CZ3 3.92Å; F46-W73 HydrophobicContact CB-CD2 3.98Å; F46-W73 HydrophobicContact CB-CE3 4.02Å; F46-W73 HydrophobicContact CB-CG 4.31Å; F46-W73 HydrophobicContact CB-CZ3 4.45Å; F46-W73 HydrophobicContact CD1-CH2 4.45Å; F46-W73 HydrophobicContact CD1-CZ3 4.39Å; W73-F88 HydrophobicContact CD2-CD1 4.47Å; W73-F88 AromaticContact CE3-CD1 3.8Å; W73-F88 HydrophobicContact CE3-CD1 3.8Å; W73-F88 AromaticContact CE3-CE1 4Å; W73-F88 HydrophobicContact CE3-CE1 4Å; W73-F88 HydrophobicContact CH2-CD1 4.12Å; W73-F88 AromaticContact CH2-CE1 3.84Å; W73-F88 HydrophobicContact CH2-CE1 3.84Å; W73-F88 AromaticContact CZ3-CD1 3.61Å; W73-F88 HydrophobicContact CZ3-CD1 3.61Å; W73-F88 AromaticContact CZ3-CE1 3.35Å; W73-F88 HydrophobicContact CZ3-CE1 3.35Å; W73-F88 HydrophobicContact CZ3-CZ 4.41Å |
| 74 | D | 90.6 | Very high | 81.2 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.9 | 173.3 | -170.1 | 32.7 | 0 | 0 | 0 | 109.8 | K22 T23 L26 T41 I44 D45 | K22-D74 WeakPolarHBondContact CB-OD1 3.39Å; T23-D74 VanDerWaalsContact CB-OD2 3.29Å; T23-D74 WeakPolarHBondContact CB-OD2 3.26Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.35Å; T23-D74 PolarHBondContact N-OD1 2.8Å; T23-D74 PolarHBondContact OG1-OD2 2.9Å; L26-D74 HydrophobicContact CD1-CB 3.78Å; T41-D74 PolarHBondContact OG1-OD2 2.81Å; I44-D74 WeakPolarHBondContact CA-O 3.42Å; D45-D74 HydrophobicContact CB-CB 4.44Å; D45-D74 PolarHBondContact N-O 2.83Å; D45-D74 VanDerWaalsContact N-O 3.09Å; D45-D74 PolarHBondContact O-N 2.77Å |
| 75 | T | 84.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144.4 | 179.9 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | L13 A14 L15 K22 G77 T85 | L13-T75 HydrophobicContact CD1-CG2 3.34Å; L13-T75 HydrophobicContact CD2-CG2 4.29Å; L13-T75 HydrophobicContact CG-CG2 3.87Å; A14-T75 WeakPolarHBondContact O-CG2 3.34Å; A14-T75 PolarHBondContact O-OG1 3.11Å; L15-T75 HydrophobicContact CD2-CG2 3.91Å; K22-T75 WeakPolarHBondContact CE-O 3.44Å; T75-G77 PolarHBondContact O-N 2.85Å; T75-T85 HydrophobicContact CG2-CG2 3.76Å |
| 76 | A | 80 | Confident | 79.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | trans | -63.9 | 126.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T41 G43 Q78 F81 | T41-A76 WeakPolarHBondContact O-CB 3.09Å; G43-A76 WeakPolarHBondContact O-CB 3.37Å; G43-A76 PolarHBondContact O-N 3.04Å; A76-Q78 VanDerWaalsContact C-N 3.31Å; A76-Q78 PolarHBondContact O-N 2.78Å; A76-F81 HydrophobicContact CB-CB 3.85Å; A76-F81 HydrophobicContact CB-CD2 3.67Å; A76-F81 HydrophobicContact CB-CG 4.03Å | ||
| 77 | G | 67.9 | Low | 78.9 | Confident | 10 Ų | 10 | 47 Ų | 47 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | trans | -85 | 3.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G16 S18 T75 | G16-G77 WeakPolarHBondContact O-CA 3.47Å; S18-G77 PolarHBondContact N-O 3.28Å; T75-G77 PolarHBondContact O-N 2.85Å | ||
| 78 | Q | 66.9 | Low | 78 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -81.8 | 139.3 | 178.3 | -66.2 | -173.4 | 19.5 | 0 | 0 | 110.5 | T40 A76 R80 F81 | T40-Q78 HydrophobicContact CG2-CG 4.41Å; A76-Q78 VanDerWaalsContact C-N 3.31Å; A76-Q78 PolarHBondContact O-N 2.78Å; Q78-R80 PolarHBondContact O-N 3.46Å; Q78-F81 HydrophobicContact CB-CD2 4.06Å; Q78-F81 PolarHBondContact O-N 2.87Å |
| 79 | E | 61.8 | Low | 77.2 | Confident | 140 Ų | 140 | 44.9 Ų | 44.9 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -56.9 | -30.1 | -179.7 | 62.4 | -83.5 | 165.6 | 0 | 0 | 113.5 | F81 R82 | E79-F81 PolarHBondContact O-N 3.33Å; E79-F81 VanDerWaalsContact O-N 3.14Å; E79-R82 WeakPolarHBondContact O-CB 3.32Å; E79-R82 PolarHBondContact O-N 3.18Å; E79-R82 VanDerWaalsContact O-N 3.1Å |
| 80 | R | 60.7 | Low | 76.4 | Confident | 181 Ų | 181 | 52.3 Ų | 52.3 | 68% | 0.683 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -62.3 | -19.6 | 179 | -62.5 | -173.4 | -64.3 | 172.4 | -0.2 | 114.1 | Q78 | Q78-R80 PolarHBondContact O-N 3.46Š|
| 81 | F | 64.6 | Low | 75.7 | Confident | 54 Ų | 54 | 57 Ų | 57 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -108.8 | 10.6 | 178.7 | -59 | -64.2 | 0 | 0 | 0 | 113.3 | V42 A76 Q78 E79 S83 L84 T85 | V42-F81 HydrophobicContact CG1-CZ 4.13Å; A76-F81 HydrophobicContact CB-CB 3.85Å; A76-F81 HydrophobicContact CB-CD2 3.67Å; A76-F81 HydrophobicContact CB-CG 4.03Å; Q78-F81 HydrophobicContact CB-CD2 4.06Å; Q78-F81 PolarHBondContact O-N 2.87Å; E79-F81 PolarHBondContact O-N 3.33Å; E79-F81 VanDerWaalsContact O-N 3.14Å; F81-S83 PolarHBondContact O-N 3.35Å; F81-L84 PolarHBondContact O-N 3.02Å; F81-T85 PolarHBondContact O-N 3.5Å; F81-T85 PolarHBondContact O-OG1 3.25Å |
| 82 | R | 67.1 | Low | 75.4 | Confident | 70 Ų | 70 | 56 Ų | 56 | 26% | 0.264 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | -179.1 | -86.2 | -176.5 | 135.1 | 143.1 | 13.3 | 113.3 | E79 L84 T85 T86 W113 Q116 | E79-R82 WeakPolarHBondContact O-CB 3.32Å; E79-R82 PolarHBondContact O-N 3.18Å; E79-R82 VanDerWaalsContact O-N 3.1Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L84 PolarHBondContact O-N 3.35Å; R82-T85 WeakPolarHBondContact O-CB 3.48Å; R82-T85 PolarHBondContact O-N 2.94Å; R82-T85 VanDerWaalsContact O-N 3.08Å; R82-T86 PolarHBondContact O-N 2.93Å; R82-T86 PolarHBondContact O-OG1 2.69Å; R82-W113 HydrophobicContact CG-CH2 4.41Å; R82-Q116 VanDerWaalsContact CZ-NE2 3.29Å |
| 83 | S | 66.2 | Low | 75.2 | Confident | 104 Ų | 104 | 58.9 Ų | 58.9 | 73% | 0.727 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.7 | -36.9 | 178.6 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | F81 | F81-S83 PolarHBondContact O-N 3.35Å |
| 84 | L | 66.8 | Low | 75.3 | Confident | 80 Ų | 80 | 56.6 Ų | 56.6 | 42% | 0.419 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68 | -38.4 | 174.4 | -175 | 66 | 0 | 0 | 0 | 111.2 | I44 F81 R82 A87 F88 | I44-L84 HydrophobicContact CD1-CD2 4.37Å; I44-L84 HydrophobicContact CD1-CG 3.97Å; I44-L84 HydrophobicContact CG1-CD2 4.43Å; F81-L84 PolarHBondContact O-N 3.02Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L84 PolarHBondContact O-N 3.35Å; L84-A87 PolarHBondContact O-N 3.24Å; L84-F88 HydrophobicContact CD1-CE2 4.48Å; L84-F88 VanDerWaalsContact O-CD2 3.26Å; L84-F88 WeakPolarHBondContact O-CD2 3.46Å |
| 85 | T | 69 | Low | 75.5 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | -178.4 | -58.4 | 0 | 0 | 0 | 0 | 112 | L15 T75 F81 R82 A87 F88 F89 | L15-T85 HydrophobicContact CD2-CG2 3.91Å; T75-T85 HydrophobicContact CG2-CG2 3.76Å; F81-T85 PolarHBondContact O-N 3.5Å; F81-T85 PolarHBondContact O-OG1 3.25Å; R82-T85 WeakPolarHBondContact O-CB 3.48Å; R82-T85 PolarHBondContact O-N 2.94Å; R82-T85 VanDerWaalsContact O-N 3.08Å; T85-A87 VanDerWaalsContact C-N 3.25Å; T85-A87 PolarHBondContact O-N 3.13Å; T85-F88 PolarHBondContact O-N 3.34Å; T85-F88 VanDerWaalsContact O-N 3.15Å; T85-F89 HydrophobicContact CG2-CD1 4.48Å; T85-F89 HydrophobicContact CG2-CE1 3.48Å; T85-F89 VanDerWaalsContact CG2-CE1 3.48Å; T85-F89 HydrophobicContact CG2-CZ 4.02Å; T85-F89 WeakPolarHBondContact O-CD1 3.31Å; T85-F89 WeakPolarHBondContact O-CE1 3.36Å |
| 86 | T | 72.3 | Confident | 76.2 | Confident | 36 Ų | 36 | 56.3 Ų | 56.3 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -30.2 | -179.3 | -43.7 | 0 | 0 | 0 | 0 | 113.4 | R82 F88 F89 N120 | R82-T86 PolarHBondContact O-N 2.93Å; R82-T86 PolarHBondContact O-OG1 2.69Å; T86-F88 PolarHBondContact O-N 3.5Å; T86-F89 WeakPolarHBondContact O-CB 3.43Å; T86-F89 PolarHBondContact O-N 3.22Å; T86-N120 HydrophobicContact CG2-CB 3.56Å; T86-N120 WeakPolarHBondContact CG2-OD1 3.16Å |
| 87 | A | 73.2 | Confident | 77 | Confident | 64 Ų | 64 | 56.3 Ų | 56.3 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L84 T85 | L84-A87 PolarHBondContact O-N 3.24Å; T85-A87 VanDerWaalsContact C-N 3.25Å; T85-A87 PolarHBondContact O-N 3.13Å |
| 88 | F | 75.1 | Confident | 78.4 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 24% | 0.237 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.1 | -176.5 | -66.8 | -97.6 | 0 | 0 | 0 | 113.2 | I44 W73 L84 T85 T86 R90 D91 A92 | I44-F88 HydrophobicContact CD1-CD1 4.39Å; I44-F88 HydrophobicContact CD1-CD2 3.1Å; I44-F88 HydrophobicContact CD1-CE1 4.38Å; I44-F88 HydrophobicContact CD1-CE2 3.11Å; I44-F88 HydrophobicContact CD1-CG 3.8Å; I44-F88 HydrophobicContact CD1-CZ 3.78Å; I44-F88 HydrophobicContact CG1-CE2 4.48Å; W73-F88 HydrophobicContact CD2-CD1 4.47Å; W73-F88 AromaticContact CE3-CD1 3.8Å; W73-F88 HydrophobicContact CE3-CD1 3.8Å; W73-F88 AromaticContact CE3-CE1 4Å; W73-F88 HydrophobicContact CE3-CE1 4Å; W73-F88 HydrophobicContact CH2-CD1 4.12Å; W73-F88 AromaticContact CH2-CE1 3.84Å; W73-F88 HydrophobicContact CH2-CE1 3.84Å; W73-F88 AromaticContact CZ3-CD1 3.61Å; W73-F88 HydrophobicContact CZ3-CD1 3.61Å; W73-F88 AromaticContact CZ3-CE1 3.35Å; W73-F88 HydrophobicContact CZ3-CE1 3.35Å; W73-F88 HydrophobicContact CZ3-CZ 4.41Å; L84-F88 HydrophobicContact CD1-CE2 4.48Å; L84-F88 VanDerWaalsContact O-CD2 3.26Å; L84-F88 WeakPolarHBondContact O-CD2 3.46Å; T85-F88 PolarHBondContact O-N 3.34Å; T85-F88 VanDerWaalsContact O-N 3.15Å; T86-F88 PolarHBondContact O-N 3.5Å; F88-R90 PolarHBondContact O-N 2.86Å; F88-D91 PolarHBondContact O-N 2.68Å; F88-A92 PolarHBondContact O-N 3.17Å |
| 89 | F | 79.2 | Confident | 79.9 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29 | -179.7 | -73.5 | 16 | 0 | 0 | 0 | 111.8 | L13 L15 T85 T86 F95 W113 Q116 N120 | L13-F89 HydrophobicContact CD2-CD1 3.5Å; L13-F89 HydrophobicContact CD2-CE1 3.74Å; L15-F89 HydrophobicContact CD1-CE1 3.89Å; L15-F89 HydrophobicContact CD1-CE2 4.42Å; L15-F89 HydrophobicContact CD1-CZ 3.79Å; L15-F89 HydrophobicContact CD2-CE1 3.53Å; L15-F89 HydrophobicContact CD2-CZ 3.88Å; L15-F89 HydrophobicContact CG-CE1 4.37Å; T85-F89 HydrophobicContact CG2-CD1 4.48Å; T85-F89 HydrophobicContact CG2-CE1 3.48Å; T85-F89 VanDerWaalsContact CG2-CE1 3.48Å; T85-F89 HydrophobicContact CG2-CZ 4.02Å; T85-F89 WeakPolarHBondContact O-CD1 3.31Å; T85-F89 WeakPolarHBondContact O-CE1 3.36Å; T86-F89 WeakPolarHBondContact O-CB 3.43Å; T86-F89 PolarHBondContact O-N 3.22Å; F89-F95 HydrophobicContact CB-CE1 4.49Å; F89-F95 HydrophobicContact CD1-CE1 4.43Å; F89-F95 HydrophobicContact CG-CE1 4.4Å; F89-W113 HydrophobicContact CZ-CZ3 4.46Å; F89-Q116 HydrophobicContact CE2-CB 4.25Å; F89-N120 HydrophobicContact CB-CB 4.32Å; F89-N120 HydrophobicContact CD2-CB 3.87Å |
| 90 | R | 78.1 | Confident | 81.7 | Confident | 172 Ų | 172 | 47.7 Ų | 47.7 | 65% | 0.649 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -27.4 | -178.6 | -67.5 | -177.8 | 179.6 | 177 | -0.3 | 113.2 | F88 N120 Y122 | F88-R90 PolarHBondContact O-N 2.86Å; R90-N120 WeakPolarHBondContact CG-O 3.44Å; R90-Y122 WeakPolarHBondContact O-CB 3.45Å |
| 91 | D | 81.6 | Confident | 83.5 | Confident | 99 Ų | 99 | 39.2 Ų | 39.2 | 53% | 0.529 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -8 | -176.2 | -66.7 | -18.7 | 0 | 0 | 0 | 112.9 | K11 F88 | K11-D91 VanDerWaalsContact CD-O 3.27Å; K11-D91 WeakPolarHBondContact CD-O 3.38Å; F88-D91 PolarHBondContact O-N 2.68Å |
| 92 | A | 88.9 | Confident | 85.1 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 10% | 0.099 | 20% | 0.2 | C | C | . | . | trans | -85.5 | 134.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L13 F88 F95 | L13-A92 HydrophobicContact CB-CB 3.79Å; L13-A92 HydrophobicContact CD2-CB 4.41Å; F88-A92 PolarHBondContact O-N 3.17Å; A92-F95 HydrophobicContact CB-CD1 4.46Å; A92-F95 HydrophobicContact CB-CE1 3.8Å; A92-F95 HydrophobicContact CB-CE2 4.5Å; A92-F95 HydrophobicContact CB-CZ 3.82Å | ||
| 93 | M | 91.8 | Very high | 86.6 | Confident | 61 Ų | 61 | 36 Ų | 36 | 30% | 0.3 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -88 | -24.5 | 177.2 | -65.2 | 175.6 | 127.3 | 0 | 0 | 112.4 | I10 K11 I181 R184 M185 | I10-M93 HydrophobicContact CB-SD 4.38Å; I10-M93 HydrophobicContact CD1-CE 4.26Å; I10-M93 HydrophobicContact CD1-SD 3.6Å; I10-M93 HydrophobicContact CG2-SD 4.19Å; K11-M93 PolarHBondContact O-N 2.88Å; M93-I181 HydrophobicContact CB-CD1 4.2Å; M93-I181 HydrophobicContact CB-CG2 4.18Å; M93-R184 PolarHBondContact O-NH2 3.36Å; M93-M185 HydrophobicContact CE-CE 4.47Å; M93-M185 HydrophobicContact CE-SD 4.1Å |
| 94 | G | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 163.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L12 L13 D127 | L12-G94 WeakPolarHBondContact CA-O 3.26Å; L13-G94 PolarHBondContact N-O 3.09Å; G94-D127 CarbonylContact C-O 3.48Å; G94-D127 WeakPolarHBondContact CA-O 3.29Å |
| 95 | F | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.6 | -168 | -57.4 | -92.5 | 0 | 0 | 0 | 111.9 | L13 L15 F89 A92 L97 L117 A121 P126 D127 I128 V129 | L13-F95 HydrophobicContact CB-CD1 3.91Å; L13-F95 HydrophobicContact CB-CE1 4.19Å; L13-F95 HydrophobicContact CD2-CD1 4.01Å; L13-F95 HydrophobicContact CD2-CE1 3.75Å; L13-F95 HydrophobicContact CG-CD1 4.43Å; L13-F95 WeakPolarHBondContact O-CA 3.29Å; L15-F95 HydrophobicContact CD1-CD1 3.53Å; L15-F95 HydrophobicContact CD1-CE1 4.12Å; L15-F95 HydrophobicContact CD1-CG 4.39Å; L15-F95 HydrophobicContact CG-CD1 4.27Å; F89-F95 HydrophobicContact CB-CE1 4.49Å; F89-F95 HydrophobicContact CD1-CE1 4.43Å; F89-F95 HydrophobicContact CG-CE1 4.4Å; A92-F95 HydrophobicContact CB-CD1 4.46Å; A92-F95 HydrophobicContact CB-CE1 3.8Å; A92-F95 HydrophobicContact CB-CE2 4.5Å; A92-F95 HydrophobicContact CB-CZ 3.82Å; F95-L97 PolarHBondContact O-N 3.03Å; F95-L117 HydrophobicContact CB-CD1 3.77Å; F95-L117 HydrophobicContact CD1-CD1 3.91Å; F95-L117 HydrophobicContact CD1-CG 4.18Å; F95-L117 HydrophobicContact CD2-CD1 3.85Å; F95-L117 HydrophobicContact CD2-CD2 3.86Å; F95-L117 HydrophobicContact CD2-CG 4.1Å; F95-L117 HydrophobicContact CE1-CD1 4.45Å; F95-L117 HydrophobicContact CE1-CG 4.21Å; F95-L117 HydrophobicContact CE2-CD1 4.42Å; F95-L117 HydrophobicContact CE2-CD2 3.76Å; F95-L117 HydrophobicContact CE2-CG 4.17Å; F95-L117 HydrophobicContact CG-CD1 3.56Å; F95-L117 HydrophobicContact CG-CD2 4.37Å; F95-L117 HydrophobicContact CG-CG 4.11Å; F95-L117 HydrophobicContact CZ-CD2 4.16Å; F95-L117 HydrophobicContact CZ-CG 4.21Å; F95-A121 HydrophobicContact CE2-CB 4.35Å; F95-A121 HydrophobicContact CZ-CB 4.26Å; F95-P126 HydrophobicContact CD2-CB 3.82Å; F95-P126 HydrophobicContact CD2-CG 4.26Å; F95-P126 HydrophobicContact CE2-CB 3.48Å; F95-P126 VanDerWaalsContact CE2-CB 3.48Å; F95-P126 HydrophobicContact CE2-CG 3.98Å; F95-D127 PolarHBondContact N-O 3.44Å; F95-I128 HydrophobicContact CB-CG1 4.28Å; F95-I128 HydrophobicContact CB-CG2 4.49Å; F95-I128 HydrophobicContact CD2-CG1 4.31Å; F95-I128 WeakPolarHBondContact O-CA 3.17Å; F95-V129 PolarHBondContact O-N 3.09Å |
| 96 | L | 97.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 94.1 | 167.8 | -61.6 | 165.1 | 0 | 0 | 0 | 106.9 | L13 A14 L15 F25 L26 M98 I131 V174 L177 | L13-L96 PolarHBondContact O-N 2.88Å; A14-L96 WeakPolarHBondContact CA-O 3.19Å; A14-L96 HydrophobicContact CB-CB 4.42Å; L15-L96 PolarHBondContact N-O 3.22Å; F25-L96 HydrophobicContact CE1-CD1 4.16Å; L26-L96 HydrophobicContact CD2-CD1 4.02Å; L96-M98 PolarHBondContact O-N 3.4Å; L96-I131 HydrophobicContact CB-CD1 4.1Å; L96-I131 HydrophobicContact CD2-CD1 3.7Å; L96-I131 HydrophobicContact CG-CD1 4.46Å; L96-V174 HydrophobicContact CD1-CG2 4.27Å; L96-V174 HydrophobicContact CD2-CG2 4.3Å; L96-L177 HydrophobicContact CD2-CB 4.46Å; L96-L177 HydrophobicContact CD2-CD2 3.6Å; L96-L177 HydrophobicContact CG-CD2 3.76Å |
| 97 | L | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 107.5 | -178.1 | -179.2 | 55.6 | 0 | 0 | 0 | 109.5 | L15 F95 V110 W113 M114 I128 V129 L130 I131 | L15-L97 HydrophobicContact CB-CD1 4.18Å; F95-L97 PolarHBondContact O-N 3.03Å; L97-V110 HydrophobicContact CD2-CG1 3.8Å; L97-V110 HydrophobicContact CG-CG1 4.28Å; L97-W113 HydrophobicContact CD1-CB 3.6Å; L97-W113 HydrophobicContact CD1-CG 4.17Å; L97-M114 HydrophobicContact CD2-CE 4.04Å; L97-I128 HydrophobicContact CB-CG2 3.83Å; L97-I128 HydrophobicContact CD2-CG2 4.38Å; L97-V129 PolarHBondContact N-O 3.41Å; L97-L130 HydrophobicContact CD2-CD1 4.35Å; L97-L130 HydrophobicContact CG-CD1 4.16Å; L97-L130 CarbonylContact O-C 3.52Å; L97-L130 WeakPolarHBondContact O-CA 3.32Å; L97-I131 PolarHBondContact O-N 3.23Å |
| 98 | M | 98.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.7 | -168.6 | -55.6 | -172.4 | 70.4 | 0 | 0 | 112.6 | L15 G16 V20 K22 F25 L96 I131 N133 | L15-M98 WeakPolarHBondContact O-CB 3.34Å; L15-M98 PolarHBondContact O-N 2.64Å; G16-M98 WeakPolarHBondContact CA-O 3.36Å; V20-M98 HydrophobicContact CG2-CB 4.02Å; K22-M98 HydrophobicContact CB-SD 4.2Å; K22-M98 HydrophobicContact CG-CB 4.44Å; K22-M98 HydrophobicContact CG-SD 3.86Å; F25-M98 HydrophobicContact CB-CE 3.6Å; F25-M98 HydrophobicContact CB-SD 4.21Å; F25-M98 HydrophobicContact CD1-CE 4.28Å; F25-M98 HydrophobicContact CD1-SD 4.34Å; F25-M98 HydrophobicContact CD2-CE 3.64Å; F25-M98 HydrophobicContact CE2-CE 4.39Å; F25-M98 HydrophobicContact CG-CE 3.58Å; F25-M98 HydrophobicContact CG-SD 4.18Å; L96-M98 PolarHBondContact O-N 3.4Å; M98-I131 CarbonylContact C-O 3.39Å; M98-I131 WeakPolarHBondContact CA-O 3.38Å; M98-I131 HydrophobicContact CE-CG2 3.97Å; M98-I131 HydrophobicContact CG-CB 4.07Å; M98-I131 HydrophobicContact CG-CD1 4.37Å; M98-I131 HydrophobicContact CG-CG2 4.4Å; M98-N133 HydrophobicContact CE-CB 3.94Å |
| 99 | F | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 169.7 | 164 | 71.2 | -86.9 | 0 | 0 | 0 | 110.2 | L101 F107 V110 L130 I131 N133 V143 A148 Y159 | F99-L101 HydrophobicContact CE2-CD2 3.9Å; F99-L101 HydrophobicContact CE2-CG 4.44Å; F99-L101 HydrophobicContact CZ-CD2 4.24Å; F99-F107 AromaticContact CD1-CD2 3.98Å; F99-F107 HydrophobicContact CD1-CD2 3.98Å; F99-F107 HydrophobicContact CD2-CB 3.77Å; F99-F107 AromaticContact CD2-CD2 3.81Å; F99-F107 HydrophobicContact CD2-CD2 3.81Å; F99-F107 HydrophobicContact CD2-CG 4.25Å; F99-F107 AromaticContact CE1-CD2 3.81Å; F99-F107 HydrophobicContact CE1-CD2 3.81Å; F99-F107 HydrophobicContact CE1-CE2 4.19Å; F99-F107 HydrophobicContact CE2-CB 4.2Å; F99-F107 AromaticContact CE2-CD2 3.65Å; F99-F107 HydrophobicContact CE2-CD2 3.65Å; F99-F107 HydrophobicContact CE2-CE2 4.49Å; F99-F107 HydrophobicContact CE2-CG 4.27Å; F99-F107 HydrophobicContact CG-CB 4.22Å; F99-F107 AromaticContact CG-CD2 3.97Å; F99-F107 HydrophobicContact CG-CD2 3.97Å; F99-F107 AromaticContact CZ-CD2 3.64Å; F99-F107 HydrophobicContact CZ-CD2 3.64Å; F99-F107 HydrophobicContact CZ-CE2 4.09Å; F99-V110 HydrophobicContact CB-CG2 3.81Å; F99-V110 HydrophobicContact CD1-CG2 3.99Å; F99-V110 HydrophobicContact CG-CG2 4.16Å; F99-L130 HydrophobicContact CD1-CD1 4Å; F99-L130 HydrophobicContact CD1-CG 4.38Å; F99-L130 HydrophobicContact CE1-CD1 4.13Å; F99-L130 HydrophobicContact CE1-CD2 4.24Å; F99-L130 HydrophobicContact CE1-CG 4.02Å; F99-I131 VanDerWaalsContact CD1-O 3.29Å; F99-I131 WeakPolarHBondContact CD1-O 3.44Å; F99-I131 PolarHBondContact N-O 2.87Å; F99-N133 PolarHBondContact O-N 3.15Å; F99-V143 HydrophobicContact CD2-CG2 4.32Å; F99-V143 HydrophobicContact CE2-CB 4.07Å; F99-V143 HydrophobicContact CE2-CG1 3.76Å; F99-V143 HydrophobicContact CE2-CG2 4.07Å; F99-V143 HydrophobicContact CZ-CG1 4.29Å; F99-A148 HydrophobicContact CZ-CB 3.87Å; F99-Y159 AromaticContact CE1-CE2 3.81Å; F99-Y159 HydrophobicContact CE1-CE2 3.81Å; F99-Y159 AromaticContact CZ-CE2 3.84Å; F99-Y159 HydrophobicContact CZ-CE2 3.84Å |
| 100 | D | 98.3 | Very high | 95 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124 | 178.8 | -175.1 | -3.9 | 0 | 0 | 0 | 110.5 | V20 T102 S103 S106 K134 | V20-D100 HydrophobicContact CB-CB 4.25Å; V20-D100 HydrophobicContact CG1-CB 4.13Å; D100-T102 PolarHBondContact O-N 2.88Å; D100-T102 PolarHBondContact OD1-N 2.91Å; D100-T102 PolarHBondContact OD1-OG1 2.83Å; D100-T102 VanDerWaalsContact OD1-OG1 3.07Å; D100-T102 PolarHBondContact OD2-OG1 2.77Å; D100-S103 PolarHBondContact O-N 3.13Å; D100-S106 PolarHBondContact N-OG 3.21Å; D100-S106 PolarHBondContact O-OG 2.86Å; D100-K134 VanDerWaalsContact OD1-CD 3.25Å; D100-K134 WeakPolarHBondContact OD1-CD 3.37Å; D100-K134 IonicContact OD1-NZ 3.72Å; D100-K134 WeakPolarHBondContact OD2-CE 3.25Å; D100-K134 IonicContact OD2-NZ 2.77Å; D100-K134 PolarHBondContact OD2-NZ 3.49Å |
| 101 | L | 98.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.7 | 177.1 | -72 | 166.3 | 0 | 0 | 0 | 112.6 | F99 G132 N133 A135 E142 V143 E161 | F99-L101 HydrophobicContact CE2-CD2 3.9Å; F99-L101 HydrophobicContact CE2-CG 4.44Å; F99-L101 HydrophobicContact CZ-CD2 4.24Å; L101-G132 WeakPolarHBondContact CD1-O 3.5Å; L101-N133 VanDerWaalsContact CB-O 3.3Å; L101-N133 WeakPolarHBondContact CB-O 3.5Å; L101-N133 VanDerWaalsContact CG-O 3.32Å; L101-N133 WeakPolarHBondContact CG-O 3.33Å; L101-N133 PolarHBondContact N-O 2.99Å; L101-A135 HydrophobicContact CD1-CB 3.76Å; L101-E142 PolarHBondContact O-N 2.98Å; L101-V143 HydrophobicContact CD2-CB 4.43Å; L101-V143 PolarHBondContact O-N 2.94Å; L101-V143 VanDerWaalsContact O-N 3.15Å; L101-E161 HydrophobicContact CD1-CB 4.17Å; L101-E161 HydrophobicContact CD1-CG 4.05Å; L101-E161 HydrophobicContact CD2-CG 4.25Å |
| 102 | T | 98.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 30.8 Ų | 30.8 | 13% | 0.129 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 14 | 176.3 | 79.8 | 0 | 0 | 0 | 0 | 113 | D100 K134 L137 Q140 | D100-T102 PolarHBondContact O-N 2.88Å; D100-T102 PolarHBondContact OD1-N 2.91Å; D100-T102 PolarHBondContact OD1-OG1 2.83Å; D100-T102 VanDerWaalsContact OD1-OG1 3.07Å; D100-T102 PolarHBondContact OD2-OG1 2.77Å; T102-K134 HydrophobicContact CG2-CB 4.4Å; T102-L137 HydrophobicContact CG2-CB 3.84Å; T102-L137 HydrophobicContact CG2-CD1 4.12Å; T102-Q140 VanDerWaalsContact CA-O 3.27Å; T102-Q140 WeakPolarHBondContact CA-O 3.44Å; T102-Q140 WeakPolarHBondContact CB-O 3.48Å; T102-Q140 HydrophobicContact CG2-CB 3.77Å |
| 103 | S | 98.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | trans | -143.3 | 102.9 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | D100 Q105 S106 F107 E142 | D100-S103 PolarHBondContact O-N 3.13Å; S103-Q105 PolarHBondContact O-N 3.3Å; S103-S106 PolarHBondContact O-N 3.42Å; S103-S106 VanDerWaalsContact O-N 3.14Å; S103-S106 PolarHBondContact O-OG 3.22Å; S103-F107 PolarHBondContact O-N 3.34Å; S103-E142 WeakPolarHBondContact CA-OE2 3.27Å | ||
| 104 | Q | 98 | Very high | 96.4 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 23% | 0.229 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.3 | -34.8 | 177.1 | -175 | 60.5 | 38 | 0 | 0 | 112.3 | S106 F107 L108 E142 | Q104-S106 PolarHBondContact O-N 3.38Å; Q104-F107 PolarHBondContact O-N 3.43Å; Q104-L108 WeakPolarHBondContact O-CG 3.2Å; Q104-L108 PolarHBondContact O-N 3.46Å; Q104-E142 HydrophobicContact CB-CB 4.24Å; Q104-E142 PolarHBondContact N-OE2 3.26Å; Q104-E142 PolarHBondContact OE1-O 2.84Å |
| 105 | Q | 97.2 | Very high | 96.1 | Very high | 111 Ų | 111 | 30.9 Ų | 30.9 | 52% | 0.519 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 178.6 | -174.7 | 58.5 | 52.9 | 0 | 0 | 112.1 | S103 F107 L108 N109 | S103-Q105 PolarHBondContact O-N 3.3Å; Q105-F107 VanDerWaalsContact C-N 3.26Å; Q105-F107 PolarHBondContact O-N 3.09Å; Q105-L108 PolarHBondContact O-N 3.04Å; Q105-N109 PolarHBondContact NE2-OD1 2.92Å; Q105-N109 PolarHBondContact O-N 3.25Å; Q105-N109 PolarHBondContact O-ND2 2.73Å |
| 106 | S | 97.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.8 | -36.1 | 178 | 77.6 | 0 | 0 | 0 | 0 | 111.9 | D100 S103 Q104 N109 V110 | D100-S106 PolarHBondContact N-OG 3.21Å; D100-S106 PolarHBondContact O-OG 2.86Å; S103-S106 PolarHBondContact O-N 3.42Å; S103-S106 VanDerWaalsContact O-N 3.14Å; S103-S106 PolarHBondContact O-OG 3.22Å; Q104-S106 PolarHBondContact O-N 3.38Å; S106-N109 PolarHBondContact O-N 3.48Å; S106-V110 PolarHBondContact O-N 3.19Å |
| 107 | F | 98.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.3 | -42.1 | 175.4 | 177.8 | -105.6 | 0 | 0 | 0 | 112.4 | F99 S103 Q104 Q105 N109 V110 V143 Q147 A148 L151 | F99-F107 AromaticContact CD1-CD2 3.98Å; F99-F107 HydrophobicContact CD1-CD2 3.98Å; F99-F107 HydrophobicContact CD2-CB 3.77Å; F99-F107 AromaticContact CD2-CD2 3.81Å; F99-F107 HydrophobicContact CD2-CD2 3.81Å; F99-F107 HydrophobicContact CD2-CG 4.25Å; F99-F107 AromaticContact CE1-CD2 3.81Å; F99-F107 HydrophobicContact CE1-CD2 3.81Å; F99-F107 HydrophobicContact CE1-CE2 4.19Å; F99-F107 HydrophobicContact CE2-CB 4.2Å; F99-F107 AromaticContact CE2-CD2 3.65Å; F99-F107 HydrophobicContact CE2-CD2 3.65Å; F99-F107 HydrophobicContact CE2-CE2 4.49Å; F99-F107 HydrophobicContact CE2-CG 4.27Å; F99-F107 HydrophobicContact CG-CB 4.22Å; F99-F107 AromaticContact CG-CD2 3.97Å; F99-F107 HydrophobicContact CG-CD2 3.97Å; F99-F107 AromaticContact CZ-CD2 3.64Å; F99-F107 HydrophobicContact CZ-CD2 3.64Å; F99-F107 HydrophobicContact CZ-CE2 4.09Å; S103-F107 PolarHBondContact O-N 3.34Å; Q104-F107 PolarHBondContact O-N 3.43Å; Q105-F107 VanDerWaalsContact C-N 3.26Å; Q105-F107 PolarHBondContact O-N 3.09Å; F107-N109 PolarHBondContact O-N 2.87Å; F107-V110 HydrophobicContact CD2-CG2 4.43Å; F107-V110 WeakPolarHBondContact O-CB 3.31Å; F107-V110 VanDerWaalsContact O-CG2 3.27Å; F107-V110 WeakPolarHBondContact O-CG2 3.45Å; F107-V110 PolarHBondContact O-N 2.8Å; F107-V110 VanDerWaalsContact O-N 3.13Å; F107-V143 HydrophobicContact CB-CG1 4.16Å; F107-V143 HydrophobicContact CB-CG2 3.72Å; F107-V143 HydrophobicContact CD1-CG1 4.04Å; F107-V143 HydrophobicContact CD2-CG1 3.92Å; F107-V143 HydrophobicContact CE1-CG1 4.43Å; F107-V143 HydrophobicContact CE2-CG1 4.33Å; F107-V143 HydrophobicContact CG-CG1 3.75Å; F107-V143 HydrophobicContact CG-CG2 4.23Å; F107-Q147 HydrophobicContact CE1-CG 3.88Å; F107-Q147 HydrophobicContact CZ-CG 4.21Å; F107-A148 HydrophobicContact CE2-CB 3.79Å; F107-A148 HydrophobicContact CZ-CB 4.22Å; F107-L151 HydrophobicContact CD2-CD2 4.44Å; F107-L151 HydrophobicContact CE1-CD2 4.38Å; F107-L151 HydrophobicContact CE2-CB 4.39Å; F107-L151 HydrophobicContact CE2-CD2 3.56Å; F107-L151 HydrophobicContact CZ-CB 3.97Å; F107-L151 HydrophobicContact CZ-CD2 3.54Å; F107-L151 HydrophobicContact CZ-CG 4.38Å |
| 108 | L | 96.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 41% | 0.414 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 175.1 | -68 | 175.3 | 0 | 0 | 0 | 111.7 | Q104 Q105 V110 R111 | Q104-L108 WeakPolarHBondContact O-CG 3.2Å; Q104-L108 PolarHBondContact O-N 3.46Å; Q105-L108 PolarHBondContact O-N 3.04Å; L108-V110 PolarHBondContact O-N 3.42Å; L108-R111 PolarHBondContact O-N 2.96Å |
| 109 | N | 95.7 | Very high | 94.1 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.8 | -14.4 | 178.5 | -74.5 | -20.1 | 0 | 0 | 0 | 113.9 | D17 Q105 S106 F107 R111 N112 W113 | D17-N109 WeakPolarHBondContact OD2-CB 3.22Å; D17-N109 PolarHBondContact OD2-ND2 3.08Å; Q105-N109 PolarHBondContact NE2-OD1 2.92Å; Q105-N109 PolarHBondContact O-N 3.25Å; Q105-N109 PolarHBondContact O-ND2 2.73Å; S106-N109 PolarHBondContact O-N 3.48Å; F107-N109 PolarHBondContact O-N 2.87Å; N109-R111 PolarHBondContact O-N 3.5Å; N109-N112 WeakPolarHBondContact O-CB 3.46Å; N109-N112 PolarHBondContact O-N 2.9Å; N109-W113 VanDerWaalsContact O-CD1 3.24Å; N109-W113 PolarHBondContact O-N 3.46Å |
| 110 | V | 95.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.5 | -38.7 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L97 F99 S106 F107 L108 N112 W113 M114 L130 L151 | L97-V110 HydrophobicContact CD2-CG1 3.8Å; L97-V110 HydrophobicContact CG-CG1 4.28Å; F99-V110 HydrophobicContact CB-CG2 3.81Å; F99-V110 HydrophobicContact CD1-CG2 3.99Å; F99-V110 HydrophobicContact CG-CG2 4.16Å; S106-V110 PolarHBondContact O-N 3.19Å; F107-V110 HydrophobicContact CD2-CG2 4.43Å; F107-V110 WeakPolarHBondContact O-CB 3.31Å; F107-V110 VanDerWaalsContact O-CG2 3.27Å; F107-V110 WeakPolarHBondContact O-CG2 3.45Å; F107-V110 PolarHBondContact O-N 2.8Å; F107-V110 VanDerWaalsContact O-N 3.13Å; L108-V110 PolarHBondContact O-N 3.42Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 3.26Å; V110-W113 PolarHBondContact O-N 3.45Å; V110-M114 WeakPolarHBondContact O-CB 3.28Å; V110-M114 PolarHBondContact O-N 2.7Å; V110-L130 HydrophobicContact CG1-CD1 3.7Å; V110-L130 HydrophobicContact CG2-CD1 4.29Å; V110-L151 HydrophobicContact CB-CD2 4.28Å; V110-L151 HydrophobicContact CG1-CD2 3.95Å |
| 111 | R | 93.9 | Very high | 92.4 | Very high | 134 Ų | 134 | 44.1 Ų | 44.1 | 51% | 0.506 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 177.8 | -65 | -176.9 | 179.2 | 173.3 | 1.6 | 112 | L108 N109 W113 M114 S115 L151 | L108-R111 PolarHBondContact O-N 2.96Å; N109-R111 PolarHBondContact O-N 3.5Å; R111-W113 VanDerWaalsContact C-N 3.35Å; R111-M114 PolarHBondContact O-N 3.27Å; R111-S115 PolarHBondContact O-N 2.86Å; R111-S115 PolarHBondContact O-OG 3.36Å; R111-L151 HydrophobicContact CG-CD1 4.44Å |
| 112 | N | 92.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 178.2 | -63.3 | -25.3 | 0 | 0 | 0 | 111.2 | N109 V110 Q116 | N109-N112 WeakPolarHBondContact O-CB 3.46Å; N109-N112 PolarHBondContact O-N 2.9Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 3.26Å; N112-Q116 WeakPolarHBondContact O-CG 3.08Å; N112-Q116 PolarHBondContact O-N 2.84Å; N112-Q116 VanDerWaalsContact O-N 3.11Å; N112-Q116 PolarHBondContact O-NE2 3.39Å |
| 113 | W | 91.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 173.9 | -75.8 | 110.8 | 0 | 0 | 0 | 111.8 | L15 G16 D17 R82 F89 L97 N109 V110 R111 S115 Q116 L117 | L15-W113 HydrophobicContact CB-CE3 4.44Å; L15-W113 HydrophobicContact CD2-CZ3 4.36Å; G16-W113 WeakPolarHBondContact O-CZ2 3.41Å; D17-W113 PolarHBondContact OD1-NE1 2.86Å; R82-W113 HydrophobicContact CG-CH2 4.41Å; F89-W113 HydrophobicContact CZ-CZ3 4.46Å; L97-W113 HydrophobicContact CD1-CB 3.6Å; L97-W113 HydrophobicContact CD1-CG 4.17Å; N109-W113 VanDerWaalsContact O-CD1 3.24Å; N109-W113 PolarHBondContact O-N 3.46Å; V110-W113 PolarHBondContact O-N 3.45Å; R111-W113 VanDerWaalsContact C-N 3.35Å; W113-S115 PolarHBondContact O-N 3.27Å; W113-Q116 PolarHBondContact O-N 2.92Å; W113-L117 WeakPolarHBondContact O-CB 3.33Å; W113-L117 PolarHBondContact O-N 3.35Å |
| 114 | M | 91.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 177 | -172.1 | 62.3 | 87.6 | 0 | 0 | 111.7 | L97 V110 R111 Q116 L117 Q118 I128 Y155 I157 | L97-M114 HydrophobicContact CD2-CE 4.04Å; V110-M114 WeakPolarHBondContact O-CB 3.28Å; V110-M114 PolarHBondContact O-N 2.7Å; R111-M114 PolarHBondContact O-N 3.27Å; M114-Q116 VanDerWaalsContact C-N 3.34Å; M114-Q116 PolarHBondContact O-N 3.18Å; M114-L117 WeakPolarHBondContact O-CB 3.39Å; M114-L117 PolarHBondContact O-N 3.18Å; M114-Q118 WeakPolarHBondContact O-CG 3.43Å; M114-Q118 PolarHBondContact O-N 2.85Å; M114-I128 HydrophobicContact CE-CD1 3.87Å; M114-I128 HydrophobicContact CE-CG2 4.47Å; M114-I128 HydrophobicContact SD-CD1 3.51Å; M114-I128 VanDerWaalsContact SD-CD1 3.51Å; M114-Y155 HydrophobicContact CE-CD1 4.11Å; M114-Y155 HydrophobicContact CE-CD2 3.84Å; M114-Y155 HydrophobicContact CE-CE2 4.29Å; M114-Y155 HydrophobicContact CE-CG 3.74Å; M114-Y155 HydrophobicContact CG-CD1 4.03Å; M114-Y155 HydrophobicContact CG-CE1 3.67Å; M114-Y155 HydrophobicContact CG-CE2 4.32Å; M114-I157 HydrophobicContact CE-CD1 3.63Å |
| 115 | S | 89.6 | Confident | 87 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 176.6 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | R111 W113 L117 A119 | R111-S115 PolarHBondContact O-N 2.86Å; R111-S115 PolarHBondContact O-OG 3.36Å; W113-S115 PolarHBondContact O-N 3.27Å; S115-L117 VanDerWaalsContact C-N 3.33Å; S115-A119 WeakPolarHBondContact O-CB 3.43Å; S115-A119 PolarHBondContact O-N 3.36Å; S115-A119 VanDerWaalsContact O-N 3.07Å |
| 116 | Q | 86.3 | Confident | 86.4 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 174.7 | -81.5 | 163.3 | 76 | 0 | 0 | 112.1 | R82 F89 N112 W113 M114 A119 N120 | R82-Q116 VanDerWaalsContact CZ-NE2 3.29Å; F89-Q116 HydrophobicContact CE2-CB 4.25Å; N112-Q116 WeakPolarHBondContact O-CG 3.08Å; N112-Q116 PolarHBondContact O-N 2.84Å; N112-Q116 VanDerWaalsContact O-N 3.11Å; N112-Q116 PolarHBondContact O-NE2 3.39Å; W113-Q116 PolarHBondContact O-N 2.92Å; M114-Q116 VanDerWaalsContact C-N 3.34Å; M114-Q116 PolarHBondContact O-N 3.18Å; Q116-A119 PolarHBondContact O-N 3.37Å; Q116-N120 WeakPolarHBondContact O-CB 3.35Å; Q116-N120 PolarHBondContact O-N 3.28Å; Q116-N120 PolarHBondContact O-ND2 2.95Å |
| 117 | L | 87.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -50.9 | 178.5 | -160.8 | 169.6 | 0 | 0 | 0 | 109.8 | L15 F95 W113 M114 S115 A119 N120 A121 P126 I128 | L15-L117 HydrophobicContact CD1-CD1 4.08Å; L15-L117 HydrophobicContact CD1-CG 4.48Å; F95-L117 HydrophobicContact CB-CD1 3.77Å; F95-L117 HydrophobicContact CD1-CD1 3.91Å; F95-L117 HydrophobicContact CD1-CG 4.18Å; F95-L117 HydrophobicContact CD2-CD1 3.85Å; F95-L117 HydrophobicContact CD2-CD2 3.86Å; F95-L117 HydrophobicContact CD2-CG 4.1Å; F95-L117 HydrophobicContact CE1-CD1 4.45Å; F95-L117 HydrophobicContact CE1-CG 4.21Å; F95-L117 HydrophobicContact CE2-CD1 4.42Å; F95-L117 HydrophobicContact CE2-CD2 3.76Å; F95-L117 HydrophobicContact CE2-CG 4.17Å; F95-L117 HydrophobicContact CG-CD1 3.56Å; F95-L117 HydrophobicContact CG-CD2 4.37Å; F95-L117 HydrophobicContact CG-CG 4.11Å; F95-L117 HydrophobicContact CZ-CD2 4.16Å; F95-L117 HydrophobicContact CZ-CG 4.21Å; W113-L117 WeakPolarHBondContact O-CB 3.33Å; W113-L117 PolarHBondContact O-N 3.35Å; M114-L117 WeakPolarHBondContact O-CB 3.39Å; M114-L117 PolarHBondContact O-N 3.18Å; S115-L117 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.39Å; L117-N120 PolarHBondContact O-N 3.46Å; L117-A121 HydrophobicContact CD2-CB 3.89Å; L117-A121 WeakPolarHBondContact O-CB 3.24Å; L117-A121 PolarHBondContact O-N 2.95Å; L117-P126 HydrophobicContact CD2-CB 4.13Å; L117-P126 HydrophobicContact CD2-CG 3.11Å; L117-I128 HydrophobicContact CD1-CD1 3.74Å; L117-I128 HydrophobicContact CD1-CG1 4.04Å; L117-I128 HydrophobicContact CD2-CD1 3.96Å; L117-I128 HydrophobicContact CD2-CG1 4.47Å; L117-I128 HydrophobicContact CG-CD1 4.5Å |
| 118 | Q | 85.9 | Confident | 86.2 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -32.8 | 176.7 | -71.5 | 173.6 | -24 | 0 | 0 | 113.4 | M114 | M114-Q118 WeakPolarHBondContact O-CG 3.43Å; M114-Q118 PolarHBondContact O-N 2.85Å |
| 119 | A | 85.3 | Confident | 86.3 | Confident | 76 Ų | 76 | 58.7 Ų | 58.7 | 63% | 0.628 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -80 | -21.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | S115 Q116 L117 | S115-A119 WeakPolarHBondContact O-CB 3.43Å; S115-A119 PolarHBondContact O-N 3.36Å; S115-A119 VanDerWaalsContact O-N 3.07Å; Q116-A119 PolarHBondContact O-N 3.37Å; L117-A119 PolarHBondContact O-N 3.39Å |
| 120 | N | 82.9 | Confident | 86.4 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -128.9 | -11 | -168.5 | -60.9 | -77.3 | 0 | 0 | 0 | 114.8 | T86 F89 R90 Q116 L117 | T86-N120 HydrophobicContact CG2-CB 3.56Å; T86-N120 WeakPolarHBondContact CG2-OD1 3.16Å; F89-N120 HydrophobicContact CB-CB 4.32Å; F89-N120 HydrophobicContact CD2-CB 3.87Å; R90-N120 WeakPolarHBondContact CG-O 3.44Å; Q116-N120 WeakPolarHBondContact O-CB 3.35Å; Q116-N120 PolarHBondContact O-N 3.28Å; Q116-N120 PolarHBondContact O-ND2 2.95Å; L117-N120 PolarHBondContact O-N 3.46Å |
| 121 | A | 79.3 | Confident | 86.5 | Confident | 18 Ų | 18 | 57 Ų | 57 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -66.9 | 155.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F95 L117 C123 P126 | F95-A121 HydrophobicContact CE2-CB 4.35Å; F95-A121 HydrophobicContact CZ-CB 4.26Å; L117-A121 HydrophobicContact CD2-CB 3.89Å; L117-A121 WeakPolarHBondContact O-CB 3.24Å; L117-A121 PolarHBondContact O-N 2.95Å; A121-C123 VanDerWaalsContact C-N 3.3Å; A121-C123 PolarHBondContact O-N 3.42Å; A121-P126 HydrophobicContact CB-CB 4.36Å; A121-P126 HydrophobicContact CB-CG 3.89Å |
| 122 | Y | 72.4 | Confident | 86.8 | Confident | 199 Ų | 199 | 50.7 Ų | 50.7 | 78% | 0.78 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -66.4 | -31.2 | -179.6 | 175.6 | -98.1 | 0 | 0 | 0 | 113.3 | R90 | R90-Y122 WeakPolarHBondContact O-CB 3.45Š|
| 123 | C | 69.6 | Low | 87.1 | Confident | 56 Ų | 56 | 47 Ų | 47 | 38% | 0.378 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -111.6 | 147.4 | -179.7 | -174.2 | 0 | 0 | 0 | 0 | 110 | A121 N125 P126 | A121-C123 VanDerWaalsContact C-N 3.3Å; A121-C123 PolarHBondContact O-N 3.42Å; C123-N125 PolarHBondContact O-N 3.48Å; C123-P126 WeakPolarHBondContact O-CD 3.43Å |
| 124 | E | 66.1 | Low | 87.4 | Confident | 176 Ų | 176 | 49.4 Ų | 49.4 | 82% | 0.822 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -57.4 | -34.2 | 172.6 | -68 | -176.7 | 168.4 | 0 | 0 | 111.8 | ||
| 125 | N | 72.4 | Confident | 87.7 | Confident | 130 Ų | 130 | 50.3 Ų | 50.3 | 70% | 0.695 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -128.9 | 82.7 | 178.9 | -76.6 | -3.2 | 0 | 0 | 0 | 111.4 | C123 | C123-N125 PolarHBondContact O-N 3.48Š|
| 126 | P | 83.6 | Confident | 88.1 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 13% | 0.13 | 26% | 0.261 | C | S | . | . | trans | -72.3 | 155.2 | 172.1 | 27.9 | -28.3 | 0 | 0 | 0 | 111.6 | F95 L117 A121 C123 I128 | F95-P126 HydrophobicContact CD2-CB 3.82Å; F95-P126 HydrophobicContact CD2-CG 4.26Å; F95-P126 HydrophobicContact CE2-CB 3.48Å; F95-P126 VanDerWaalsContact CE2-CB 3.48Å; F95-P126 HydrophobicContact CE2-CG 3.98Å; L117-P126 HydrophobicContact CD2-CB 4.13Å; L117-P126 HydrophobicContact CD2-CG 3.11Å; A121-P126 HydrophobicContact CB-CB 4.36Å; A121-P126 HydrophobicContact CB-CG 3.89Å; C123-P126 WeakPolarHBondContact O-CD 3.43Å; P126-I128 HydrophobicContact CG-CD1 4.3Å; P126-I128 HydrophobicContact CG-CG1 4.42Å; P126-I128 PolarHBondContact O-N 3.42Å | ||
| 127 | D | 94.7 | Very high | 88.6 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 128.7 | 175.2 | -63.7 | -52.6 | 0 | 0 | 0 | 109.6 | G94 F95 L177 L180 I181 R184 | G94-D127 CarbonylContact C-O 3.48Å; G94-D127 WeakPolarHBondContact CA-O 3.29Å; F95-D127 PolarHBondContact N-O 3.44Å; D127-L177 HydrophobicContact CB-CD1 3.8Å; D127-L180 HydrophobicContact CB-CB 4.09Å; D127-I181 HydrophobicContact CB-CG1 3.98Å; D127-I181 WeakPolarHBondContact OD2-CA 3.28Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.19Å; D127-R184 IonicContact OD1-NH1 3.38Å; D127-R184 IonicContact OD2-CZ 3.37Å; D127-R184 IonicContact OD2-NE 3.22Å; D127-R184 PolarHBondContact OD2-NE 3.23Å; D127-R184 IonicContact OD2-NH1 2.68Å; D127-R184 PolarHBondContact OD2-NH1 3.4Å; D127-R184 IonicContact OD2-NH2 2.64Å; D127-R184 PolarHBondContact OD2-NH2 3.15Å; D127-R184 VanDerWaalsContact OD2-NH2 3.11Å |
| 128 | I | 96.7 | Very high | 89 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.7 | -175.6 | -53.9 | 167.4 | 0 | 0 | 0 | 108 | F95 L97 M114 L117 P126 I157 P158 | F95-I128 HydrophobicContact CB-CG1 4.28Å; F95-I128 HydrophobicContact CB-CG2 4.49Å; F95-I128 HydrophobicContact CD2-CG1 4.31Å; F95-I128 WeakPolarHBondContact O-CA 3.17Å; L97-I128 HydrophobicContact CB-CG2 3.83Å; L97-I128 HydrophobicContact CD2-CG2 4.38Å; M114-I128 HydrophobicContact CE-CD1 3.87Å; M114-I128 HydrophobicContact CE-CG2 4.47Å; M114-I128 HydrophobicContact SD-CD1 3.51Å; M114-I128 VanDerWaalsContact SD-CD1 3.51Å; L117-I128 HydrophobicContact CD1-CD1 3.74Å; L117-I128 HydrophobicContact CD1-CG1 4.04Å; L117-I128 HydrophobicContact CD2-CD1 3.96Å; L117-I128 HydrophobicContact CD2-CG1 4.47Å; L117-I128 HydrophobicContact CG-CD1 4.5Å; P126-I128 HydrophobicContact CG-CD1 4.3Å; P126-I128 HydrophobicContact CG-CG1 4.42Å; P126-I128 PolarHBondContact O-N 3.42Å; I128-I157 HydrophobicContact CB-CG2 4.11Å; I128-I157 HydrophobicContact CG2-CD1 4.21Å; I128-P158 WeakPolarHBondContact O-CD 3.4Å |
| 129 | V | 98.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.7 | 165.2 | 172.2 | 0 | 0 | 0 | 0 | 108.4 | F95 L97 I131 P158 F160 A173 T176 L177 L180 | F95-V129 PolarHBondContact O-N 3.09Å; L97-V129 PolarHBondContact N-O 3.41Å; V129-I131 HydrophobicContact CG1-CD1 4.44Å; V129-I131 HydrophobicContact CG1-CG1 3.97Å; V129-P158 HydrophobicContact CG2-CB 4.29Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; V129-F160 HydrophobicContact CG1-CD2 3.54Å; V129-F160 HydrophobicContact CG1-CE2 3.85Å; V129-A173 HydrophobicContact CG1-CB 4.4Å; V129-T176 HydrophobicContact CG2-CG2 4.4Å; V129-L177 HydrophobicContact CB-CB 4.48Å; V129-L177 HydrophobicContact CG2-CB 3.75Å; V129-L177 HydrophobicContact CG2-CD1 4.15Å; V129-L177 HydrophobicContact CG2-CG 4.47Å; V129-L180 HydrophobicContact CG2-CD1 4.38Å |
| 130 | L | 98.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.7 | 173.5 | -174.1 | 66.8 | 0 | 0 | 0 | 109.9 | L97 F99 V110 A152 I157 P158 Y159 F160 | L97-L130 HydrophobicContact CD2-CD1 4.35Å; L97-L130 HydrophobicContact CG-CD1 4.16Å; L97-L130 CarbonylContact O-C 3.52Å; L97-L130 WeakPolarHBondContact O-CA 3.32Å; F99-L130 HydrophobicContact CD1-CD1 4Å; F99-L130 HydrophobicContact CD1-CG 4.38Å; F99-L130 HydrophobicContact CE1-CD1 4.13Å; F99-L130 HydrophobicContact CE1-CD2 4.24Å; F99-L130 HydrophobicContact CE1-CG 4.02Å; V110-L130 HydrophobicContact CG1-CD1 3.7Å; V110-L130 HydrophobicContact CG2-CD1 4.29Å; L130-A152 HydrophobicContact CD2-CB 3.96Å; L130-I157 HydrophobicContact CB-CD1 3.8Å; L130-I157 HydrophobicContact CB-CG1 4.25Å; L130-P158 PolarHBondContact N-O 2.89Å; L130-Y159 HydrophobicContact CB-CD2 4.16Å; L130-Y159 HydrophobicContact CD2-CD2 3.93Å; L130-Y159 HydrophobicContact CD2-CE2 4.5Å; L130-Y159 HydrophobicContact CG-CD2 3.91Å; L130-Y159 HydrophobicContact CG-CE2 4.49Å; L130-Y159 WeakPolarHBondContact O-CA 3.4Å; L130-Y159 WeakPolarHBondContact O-CD2 3.49Å; L130-F160 PolarHBondContact O-N 3.23Å |
| 131 | I | 98.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 118.2 | -175.5 | -60.7 | 177.6 | 0 | 0 | 0 | 109.9 | F25 L96 L97 M98 F99 V129 F160 T162 A173 | F25-I131 HydrophobicContact CE1-CD1 4.31Å; F25-I131 HydrophobicContact CE2-CD1 4.2Å; F25-I131 HydrophobicContact CE2-CG2 4.29Å; F25-I131 HydrophobicContact CZ-CD1 3.8Å; L96-I131 HydrophobicContact CB-CD1 4.1Å; L96-I131 HydrophobicContact CD2-CD1 3.7Å; L96-I131 HydrophobicContact CG-CD1 4.46Å; L97-I131 PolarHBondContact O-N 3.23Å; M98-I131 CarbonylContact C-O 3.39Å; M98-I131 WeakPolarHBondContact CA-O 3.38Å; M98-I131 HydrophobicContact CE-CG2 3.97Å; M98-I131 HydrophobicContact CG-CB 4.07Å; M98-I131 HydrophobicContact CG-CD1 4.37Å; M98-I131 HydrophobicContact CG-CG2 4.4Å; F99-I131 VanDerWaalsContact CD1-O 3.29Å; F99-I131 WeakPolarHBondContact CD1-O 3.44Å; F99-I131 PolarHBondContact N-O 2.87Å; V129-I131 HydrophobicContact CG1-CD1 4.44Å; V129-I131 HydrophobicContact CG1-CG1 3.97Å; I131-F160 WeakPolarHBondContact CA-O 3.42Å; I131-T162 HydrophobicContact CG2-CG2 3.66Å; I131-T162 WeakPolarHBondContact CG2-OG1 3.35Å; I131-A173 HydrophobicContact CD1-CB 3.96Å; I131-A173 HydrophobicContact CG1-CB 4.32Å |
| 132 | G | 98.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 108 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L101 F160 E161 T162 | L101-G132 WeakPolarHBondContact CD1-O 3.5Å; G132-F160 PolarHBondContact N-O 3Å; G132-E161 CarbonylContact O-C 3.59Å; G132-E161 VanDerWaalsContact O-CA 3.3Å; G132-E161 WeakPolarHBondContact O-CA 3.5Å; G132-T162 PolarHBondContact O-N 3.31Å |
| 133 | N | 98.6 | Very high | 93 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 169.1 | -177.7 | -168.1 | 28.5 | 0 | 0 | 0 | 111.7 | V20 M98 F99 L101 T162 A164 | V20-N133 PolarHBondContact O-ND2 3Å; M98-N133 HydrophobicContact CE-CB 3.94Å; F99-N133 PolarHBondContact O-N 3.15Å; L101-N133 VanDerWaalsContact CB-O 3.3Å; L101-N133 WeakPolarHBondContact CB-O 3.5Å; L101-N133 VanDerWaalsContact CG-O 3.32Å; L101-N133 WeakPolarHBondContact CG-O 3.33Å; L101-N133 PolarHBondContact N-O 2.99Å; N133-T162 CarbonylContact C-O 3.48Å; N133-T162 WeakPolarHBondContact CA-O 2.85Å; N133-T162 PolarHBondContact OD1-O 3.11Å; N133-T162 PolarHBondContact OD1-OG1 3.12Å; N133-A164 PolarHBondContact OD1-N 2.8Å |
| 134 | K | 98.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | trans | 68.4 | 34.9 | -178.6 | -45.1 | -167.4 | -165.3 | 166.6 | 0 | 114.4 | G19 D100 T102 D136 L137 T162 | G19-K134 WeakPolarHBondContact O-CE 3.34Å; G19-K134 PolarHBondContact O-NZ 3.5Å; D100-K134 VanDerWaalsContact OD1-CD 3.25Å; D100-K134 WeakPolarHBondContact OD1-CD 3.37Å; D100-K134 IonicContact OD1-NZ 3.72Å; D100-K134 WeakPolarHBondContact OD2-CE 3.25Å; D100-K134 IonicContact OD2-NZ 2.77Å; D100-K134 PolarHBondContact OD2-NZ 3.49Å; T102-K134 HydrophobicContact CG2-CB 4.4Å; K134-D136 WeakPolarHBondContact CA-OD1 3.28Å; K134-D136 PolarHBondContact O-N 3.46Å; K134-D136 VanDerWaalsContact O-N 3.08Å; K134-L137 HydrophobicContact CB-CD1 4.34Å; K134-L137 HydrophobicContact CD-CD1 4.42Å; K134-L137 PolarHBondContact O-N 2.87Å; K134-L137 VanDerWaalsContact O-N 3.09Å; K134-T162 PolarHBondContact N-O 3.45Å | ||
| 135 | A | 98.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L101 L137 E161 T162 | L101-A135 HydrophobicContact CD1-CB 3.76Å; A135-L137 PolarHBondContact O-N 2.9Å; A135-E161 HydrophobicContact CB-CB 4.29Å; A135-T162 WeakPolarHBondContact CB-O 3.5Å; A135-T162 PolarHBondContact N-O 3.35Å |
| 136 | D | 97.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -6.7 | 173.9 | 56.9 | -71.4 | 0 | 0 | 0 | 114.6 | K134 P138 S163 A165 T166 | K134-D136 WeakPolarHBondContact CA-OD1 3.28Å; K134-D136 PolarHBondContact O-N 3.46Å; K134-D136 VanDerWaalsContact O-N 3.08Å; D136-P138 WeakPolarHBondContact O-CD 3.44Å; D136-S163 WeakPolarHBondContact CB-OG 3.4Å; D136-S163 VanDerWaalsContact OD1-CB 3.23Å; D136-S163 WeakPolarHBondContact OD1-CB 3.31Å; D136-S163 PolarHBondContact OD1-OG 3.11Å; D136-A165 WeakPolarHBondContact OD2-CB 3.35Å; D136-T166 HydrophobicContact CB-CG2 3.91Å |
| 137 | L | 96.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | trans | -112.6 | 62.1 | 179.4 | -58.1 | 178.1 | 0 | 0 | 0 | 112.1 | T102 K134 A135 D139 Q140 R141 | T102-L137 HydrophobicContact CG2-CB 3.84Å; T102-L137 HydrophobicContact CG2-CD1 4.12Å; K134-L137 HydrophobicContact CB-CD1 4.34Å; K134-L137 HydrophobicContact CD-CD1 4.42Å; K134-L137 PolarHBondContact O-N 2.87Å; K134-L137 VanDerWaalsContact O-N 3.09Å; A135-L137 PolarHBondContact O-N 2.9Å; L137-D139 VanDerWaalsContact C-N 3.26Å; L137-D139 PolarHBondContact O-N 3Å; L137-Q140 HydrophobicContact CB-CB 4.35Å; L137-Q140 PolarHBondContact O-N 2.78Å; L137-Q140 VanDerWaalsContact O-N 3.14Å; L137-R141 PolarHBondContact O-N 2.79Å | ||
| 138 | P | 96.6 | Very high | 97.7 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 57% | 0.571 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -62.7 | -31.7 | -174.8 | 27 | -35.6 | 0 | 0 | 0 | 113.2 | D136 Q140 R141 | D136-P138 WeakPolarHBondContact O-CD 3.44Å; P138-Q140 PolarHBondContact O-N 2.92Å; P138-R141 WeakPolarHBondContact O-CB 3.38Å; P138-R141 PolarHBondContact O-N 2.78Å |
| 139 | D | 97.7 | Very high | 97.7 | Very high | 163 Ų | 163 | 62 Ų | 62 | 87% | 0.872 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -71.6 | -18.9 | -179.8 | -59.3 | -39.7 | 0 | 0 | 0 | 113.3 | L137 | L137-D139 VanDerWaalsContact C-N 3.26Å; L137-D139 PolarHBondContact O-N 3Å |
| 140 | Q | 97.7 | Very high | 97.7 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -103.9 | 8.2 | 177.7 | -61.6 | 178.5 | 37.1 | 0 | 0 | 111.8 | T102 L137 P138 E142 | T102-Q140 VanDerWaalsContact CA-O 3.27Å; T102-Q140 WeakPolarHBondContact CA-O 3.44Å; T102-Q140 WeakPolarHBondContact CB-O 3.48Å; T102-Q140 HydrophobicContact CG2-CB 3.77Å; L137-Q140 HydrophobicContact CB-CB 4.35Å; L137-Q140 PolarHBondContact O-N 2.78Å; L137-Q140 VanDerWaalsContact O-N 3.14Å; P138-Q140 PolarHBondContact O-N 2.92Å; Q140-E142 PolarHBondContact O-N 3.33Å |
| 141 | R | 98.3 | Very high | 97.7 | Very high | 92 Ų | 92 | 67.6 Ų | 67.6 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | trans | -66.6 | 124.6 | -175.3 | -176.8 | 178.2 | -179.9 | 144.5 | 17.4 | 110.9 | L137 P138 V143 E145 E161 | L137-R141 PolarHBondContact O-N 2.79Å; P138-R141 WeakPolarHBondContact O-CB 3.38Å; P138-R141 PolarHBondContact O-N 2.78Å; R141-V143 PolarHBondContact NE-O 3.06Å; R141-V143 PolarHBondContact NH2-O 2.89Å; R141-E145 VanDerWaalsContact NH2-CA 3.26Å; R141-E161 IonicContact CZ-OE1 3.44Å; R141-E161 IonicContact CZ-OE2 2.82Å; R141-E161 IonicContact NH1-OE1 3.35Å; R141-E161 PolarHBondContact NH1-OE1 3.48Å; R141-E161 IonicContact NH1-OE2 2.68Å; R141-E161 PolarHBondContact NH1-OE2 3.32Å; R141-E161 IonicContact NH2-OE1 2.74Å; R141-E161 PolarHBondContact NH2-OE1 2.81Å; R141-E161 IonicContact NH2-OE2 3.11Å | ||
| 142 | E | 98.1 | Very high | 97.6 | Very high | 114 Ų | 114 | 67.7 Ų | 67.7 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | trans | -109.7 | -24.9 | 176.3 | -61.9 | -172.9 | 174.8 | 0 | 0 | 112.5 | L101 S103 Q104 Q140 | L101-E142 PolarHBondContact O-N 2.98Å; S103-E142 WeakPolarHBondContact CA-OE2 3.27Å; Q104-E142 HydrophobicContact CB-CB 4.24Å; Q104-E142 PolarHBondContact N-OE2 3.26Å; Q104-E142 PolarHBondContact OE1-O 2.84Å; Q140-E142 PolarHBondContact O-N 3.33Å | ||
| 143 | V | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -99.1 | 119.3 | -175.2 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | F99 L101 F107 R141 A148 | F99-V143 HydrophobicContact CD2-CG2 4.32Å; F99-V143 HydrophobicContact CE2-CB 4.07Å; F99-V143 HydrophobicContact CE2-CG1 3.76Å; F99-V143 HydrophobicContact CE2-CG2 4.07Å; F99-V143 HydrophobicContact CZ-CG1 4.29Å; L101-V143 HydrophobicContact CD2-CB 4.43Å; L101-V143 PolarHBondContact O-N 2.94Å; L101-V143 VanDerWaalsContact O-N 3.15Å; F107-V143 HydrophobicContact CB-CG1 4.16Å; F107-V143 HydrophobicContact CB-CG2 3.72Å; F107-V143 HydrophobicContact CD1-CG1 4.04Å; F107-V143 HydrophobicContact CD2-CG1 3.92Å; F107-V143 HydrophobicContact CE1-CG1 4.43Å; F107-V143 HydrophobicContact CE2-CG1 4.33Å; F107-V143 HydrophobicContact CG-CG1 3.75Å; F107-V143 HydrophobicContact CG-CG2 4.23Å; R141-V143 PolarHBondContact NE-O 3.06Å; R141-V143 PolarHBondContact NH2-O 2.89Å; V143-A148 HydrophobicContact CG1-CB 4.31Å |
| 144 | N | 95.9 | Very high | 97.5 | Very high | 88 Ų | 88 | 80.3 Ų | 80.3 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | trans | -69.7 | 134.2 | 176.7 | -171.8 | -68.9 | 0 | 0 | 0 | 111.9 | R146 Q147 A148 | N144-R146 VanDerWaalsContact C-N 3.31Å; N144-R146 PolarHBondContact O-N 3.43Å; N144-R146 VanDerWaalsContact OD1-CB 3.26Å; N144-R146 WeakPolarHBondContact OD1-CB 3.4Å; N144-R146 PolarHBondContact OD1-N 3.11Å; N144-Q147 HydrophobicContact CB-CB 4.28Å; N144-Q147 PolarHBondContact O-N 3.01Å; N144-A148 PolarHBondContact O-N 3.47Å; N144-A148 VanDerWaalsContact O-N 3.14Å | ||
| 145 | E | 95.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 80.9 Ų | 80.9 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | -178.1 | -174.1 | -176.7 | 163.5 | 0 | 0 | 111.7 | R141 Q147 A148 R149 Y159 E161 | R141-E145 VanDerWaalsContact NH2-CA 3.26Å; E145-Q147 VanDerWaalsContact C-N 3.29Å; E145-Q147 PolarHBondContact O-N 3.21Å; E145-A148 PolarHBondContact O-N 2.82Å; E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 PolarHBondContact O-N 2.86Å; E145-R149 IonicContact OE1-CZ 3.62Å; E145-R149 IonicContact OE1-NE 3.9Å; E145-R149 IonicContact OE1-NH2 3.92Å; E145-R149 PolarHBondContact OE1-NH2 3.05Å; E145-Y159 HydrophobicContact CG-CE1 4.35Å; E145-E161 WeakPolarHBondContact CG-OE1 3.49Å |
| 146 | R | 97.1 | Very high | 97.2 | Very high | 172 Ų | 172 | 83 Ų | 83 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | -178.8 | -173.1 | -177.8 | 65.7 | -171.1 | -2.5 | 110.7 | N144 A148 R149 E150 | N144-R146 VanDerWaalsContact C-N 3.31Å; N144-R146 PolarHBondContact O-N 3.43Å; N144-R146 VanDerWaalsContact OD1-CB 3.26Å; N144-R146 WeakPolarHBondContact OD1-CB 3.4Å; N144-R146 PolarHBondContact OD1-N 3.11Å; R146-A148 PolarHBondContact O-N 3.47Å; R146-R149 PolarHBondContact O-N 2.8Å; R146-E150 HydrophobicContact CG-CG 4.39Å; R146-E150 WeakPolarHBondContact CG-OE1 3.22Å; R146-E150 IonicContact NE-OE1 3.55Å; R146-E150 WeakPolarHBondContact O-CB 3.4Å; R146-E150 VanDerWaalsContact O-CG 3.26Å; R146-E150 WeakPolarHBondContact O-CG 3.4Å; R146-E150 PolarHBondContact O-N 2.97Å |
| 147 | Q | 96.8 | Very high | 97.2 | Very high | 79 Ų | 79 | 81.2 Ų | 81.2 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 179.6 | -173.2 | 180 | -18.5 | 0 | 0 | 112 | F107 N144 E145 L151 | F107-Q147 HydrophobicContact CE1-CG 3.88Å; F107-Q147 HydrophobicContact CZ-CG 4.21Å; N144-Q147 HydrophobicContact CB-CB 4.28Å; N144-Q147 PolarHBondContact O-N 3.01Å; E145-Q147 VanDerWaalsContact C-N 3.29Å; E145-Q147 PolarHBondContact O-N 3.21Å; Q147-L151 PolarHBondContact O-N 2.7Å; Q147-L151 VanDerWaalsContact O-N 3.13Å |
| 148 | A | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F99 F107 V143 N144 E145 R146 L151 A152 Y159 | F99-A148 HydrophobicContact CZ-CB 3.87Å; F107-A148 HydrophobicContact CE2-CB 3.79Å; F107-A148 HydrophobicContact CZ-CB 4.22Å; V143-A148 HydrophobicContact CG1-CB 4.31Å; N144-A148 PolarHBondContact O-N 3.47Å; N144-A148 VanDerWaalsContact O-N 3.14Å; E145-A148 PolarHBondContact O-N 2.82Å; R146-A148 PolarHBondContact O-N 3.47Å; A148-L151 PolarHBondContact O-N 2.81Å; A148-A152 PolarHBondContact O-N 2.93Å; A148-Y159 HydrophobicContact CB-CE1 3.77Å; A148-Y159 HydrophobicContact CB-CE2 3.99Å; A148-Y159 VanDerWaalsContact CB-CZ 3.46Å; A148-Y159 WeakPolarHBondContact CB-OH 3.33Å |
| 149 | R | 98.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 76.9 Ų | 76.9 | 40% | 0.4 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 175.7 | -168.9 | 172.7 | -61.7 | -74.6 | -0.4 | 112.1 | E145 R146 L151 A152 D153 Y159 | E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 PolarHBondContact O-N 2.86Å; E145-R149 IonicContact OE1-CZ 3.62Å; E145-R149 IonicContact OE1-NE 3.9Å; E145-R149 IonicContact OE1-NH2 3.92Å; E145-R149 PolarHBondContact OE1-NH2 3.05Å; R146-R149 PolarHBondContact O-N 2.8Å; R149-L151 VanDerWaalsContact C-N 3.25Å; R149-L151 PolarHBondContact O-N 2.84Å; R149-A152 WeakPolarHBondContact O-CB 3.42Å; R149-A152 PolarHBondContact O-N 2.88Å; R149-D153 PolarHBondContact O-N 3.43Å; R149-Y159 HydrophobicContact CB-CD1 4.32Å |
| 150 | E | 98.3 | Very high | 97.4 | Very high | 108 Ų | 108 | 70.4 Ų | 70.4 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.5 | -38.2 | 174.4 | -76 | 170.2 | -171.6 | 0 | 0 | 112.2 | R146 K154 | R146-E150 HydrophobicContact CG-CG 4.39Å; R146-E150 WeakPolarHBondContact CG-OE1 3.22Å; R146-E150 IonicContact NE-OE1 3.55Å; R146-E150 WeakPolarHBondContact O-CB 3.4Å; R146-E150 VanDerWaalsContact O-CG 3.26Å; R146-E150 WeakPolarHBondContact O-CG 3.4Å; R146-E150 PolarHBondContact O-N 2.97Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 PolarHBondContact O-N 3.16Å |
| 151 | L | 97.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 175 | -174 | 67 | 0 | 0 | 0 | 111.6 | F107 V110 R111 Q147 A148 R149 K154 Y155 | F107-L151 HydrophobicContact CD2-CD2 4.44Å; F107-L151 HydrophobicContact CE1-CD2 4.38Å; F107-L151 HydrophobicContact CE2-CB 4.39Å; F107-L151 HydrophobicContact CE2-CD2 3.56Å; F107-L151 HydrophobicContact CZ-CB 3.97Å; F107-L151 HydrophobicContact CZ-CD2 3.54Å; F107-L151 HydrophobicContact CZ-CG 4.38Å; V110-L151 HydrophobicContact CB-CD2 4.28Å; V110-L151 HydrophobicContact CG1-CD2 3.95Å; R111-L151 HydrophobicContact CG-CD1 4.44Å; Q147-L151 PolarHBondContact O-N 2.7Å; Q147-L151 VanDerWaalsContact O-N 3.13Å; A148-L151 PolarHBondContact O-N 2.81Å; R149-L151 VanDerWaalsContact C-N 3.25Å; R149-L151 PolarHBondContact O-N 2.84Å; L151-K154 PolarHBondContact O-N 3.43Å; L151-Y155 HydrophobicContact CD1-CD2 4.16Å; L151-Y155 HydrophobicContact CD1-CE2 3.52Å; L151-Y155 HydrophobicContact CD2-CE2 4.47Å; L151-Y155 HydrophobicContact CG-CD2 4.1Å; L151-Y155 HydrophobicContact CG-CE2 3.81Å; L151-Y155 WeakPolarHBondContact O-CD2 3.44Å; L151-Y155 PolarHBondContact O-N 2.59Å |
| 152 | A | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L130 A148 R149 K154 Y155 G156 I157 Y159 | L130-A152 HydrophobicContact CD2-CB 3.96Å; A148-A152 PolarHBondContact O-N 2.93Å; R149-A152 WeakPolarHBondContact O-CB 3.42Å; R149-A152 PolarHBondContact O-N 2.88Å; A152-K154 VanDerWaalsContact C-N 3.3Å; A152-K154 PolarHBondContact O-N 3.4Å; A152-Y155 CarbonylContact O-C 3.5Å; A152-Y155 PolarHBondContact O-N 3.15Å; A152-Y155 VanDerWaalsContact O-N 3.08Å; A152-G156 PolarHBondContact O-N 3.35Å; A152-I157 HydrophobicContact CB-CG1 4.14Å; A152-I157 WeakPolarHBondContact CB-O 3.35Å; A152-I157 PolarHBondContact O-N 2.99Å; A152-Y159 HydrophobicContact CB-CG 4.41Å |
| 153 | D | 97.6 | Very high | 97.5 | Very high | 111 Ų | 111 | 56.5 Ų | 56.5 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 177.1 | -65.3 | -21.6 | 0 | 0 | 0 | 111.2 | R149 Y155 G156 | R149-D153 PolarHBondContact O-N 3.43Å; D153-Y155 VanDerWaalsContact C-N 3.25Å; D153-Y155 PolarHBondContact O-N 2.93Å; D153-G156 PolarHBondContact O-N 3.48Å |
| 154 | K | 96.5 | Very high | 97.4 | Very high | 159 Ų | 159 | 56.6 Ų | 56.6 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.1 | -34.7 | 175.3 | -178.8 | 176.6 | 179.8 | 177.4 | 0 | 112.8 | E150 L151 A152 | E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 PolarHBondContact O-N 3.16Å; L151-K154 PolarHBondContact O-N 3.43Å; A152-K154 VanDerWaalsContact C-N 3.3Å; A152-K154 PolarHBondContact O-N 3.4Å |
| 155 | Y | 94.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -89.8 | -7.3 | 175.9 | -68.4 | -59.4 | 0 | 0 | 0 | 113.2 | M114 L151 A152 D153 I157 | M114-Y155 HydrophobicContact CE-CD1 4.11Å; M114-Y155 HydrophobicContact CE-CD2 3.84Å; M114-Y155 HydrophobicContact CE-CE2 4.29Å; M114-Y155 HydrophobicContact CE-CG 3.74Å; M114-Y155 HydrophobicContact CG-CD1 4.03Å; M114-Y155 HydrophobicContact CG-CE1 3.67Å; M114-Y155 HydrophobicContact CG-CE2 4.32Å; L151-Y155 HydrophobicContact CD1-CD2 4.16Å; L151-Y155 HydrophobicContact CD1-CE2 3.52Å; L151-Y155 HydrophobicContact CD2-CE2 4.47Å; L151-Y155 HydrophobicContact CG-CD2 4.1Å; L151-Y155 HydrophobicContact CG-CE2 3.81Å; L151-Y155 WeakPolarHBondContact O-CD2 3.44Å; L151-Y155 PolarHBondContact O-N 2.59Å; A152-Y155 CarbonylContact O-C 3.5Å; A152-Y155 PolarHBondContact O-N 3.15Å; A152-Y155 VanDerWaalsContact O-N 3.08Å; D153-Y155 VanDerWaalsContact C-N 3.25Å; D153-Y155 PolarHBondContact O-N 2.93Å; Y155-I157 VanDerWaalsContact C-N 3.33Å; Y155-I157 HydrophobicContact CD2-CD1 4.48Å |
| 156 | G | 96.1 | Very high | 97.5 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 32.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A152 D153 | A152-G156 PolarHBondContact O-N 3.35Å; D153-G156 PolarHBondContact O-N 3.48Å |
| 157 | I | 97.4 | Very high | 97.5 | Very high | 22 Ų | 22 | 47.1 Ų | 47.1 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | trans | -115.7 | 148.6 | -175.8 | 64.7 | -176.8 | 0 | 0 | 0 | 111.6 | M114 I128 L130 A152 Y155 | M114-I157 HydrophobicContact CE-CD1 3.63Å; I128-I157 HydrophobicContact CB-CG2 4.11Å; I128-I157 HydrophobicContact CG2-CD1 4.21Å; L130-I157 HydrophobicContact CB-CD1 3.8Å; L130-I157 HydrophobicContact CB-CG1 4.25Å; A152-I157 HydrophobicContact CB-CG1 4.14Å; A152-I157 WeakPolarHBondContact CB-O 3.35Å; A152-I157 PolarHBondContact O-N 2.99Å; Y155-I157 VanDerWaalsContact C-N 3.33Å; Y155-I157 HydrophobicContact CD2-CD1 4.48Å | ||
| 158 | P | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 25% | 0.253 | 26% | 0.255 | S | S | . | . | trans | -63.6 | 148.8 | 173.1 | -20.9 | 33.1 | 0 | 0 | 0 | 112.3 | I128 V129 L130 F160 T176 L180 | I128-P158 WeakPolarHBondContact O-CD 3.4Å; V129-P158 HydrophobicContact CG2-CB 4.29Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; L130-P158 PolarHBondContact N-O 2.89Å; P158-F160 HydrophobicContact CB-CE2 3.96Å; P158-T176 HydrophobicContact CB-CG2 4.15Å; P158-T176 HydrophobicContact CG-CG2 4.02Å; P158-L180 HydrophobicContact CG-CD1 3.97Å | ||
| 159 | Y | 98.7 | Very high | 97.6 | Very high | 18 Ų | 18 | 50 Ų | 50 | 7% | 0.071 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.7 | 175.9 | 172.5 | -123.4 | 0 | 0 | 0 | 112.1 | F99 L130 E145 A148 R149 A152 E161 | F99-Y159 AromaticContact CE1-CE2 3.81Å; F99-Y159 HydrophobicContact CE1-CE2 3.81Å; F99-Y159 AromaticContact CZ-CE2 3.84Å; F99-Y159 HydrophobicContact CZ-CE2 3.84Å; L130-Y159 HydrophobicContact CB-CD2 4.16Å; L130-Y159 HydrophobicContact CD2-CD2 3.93Å; L130-Y159 HydrophobicContact CD2-CE2 4.5Å; L130-Y159 HydrophobicContact CG-CD2 3.91Å; L130-Y159 HydrophobicContact CG-CE2 4.49Å; L130-Y159 WeakPolarHBondContact O-CA 3.4Å; L130-Y159 WeakPolarHBondContact O-CD2 3.49Å; E145-Y159 HydrophobicContact CG-CE1 4.35Å; A148-Y159 HydrophobicContact CB-CE1 3.77Å; A148-Y159 HydrophobicContact CB-CE2 3.99Å; A148-Y159 VanDerWaalsContact CB-CZ 3.46Å; A148-Y159 WeakPolarHBondContact CB-OH 3.33Å; R149-Y159 HydrophobicContact CB-CD1 4.32Å; A152-Y159 HydrophobicContact CB-CG 4.41Å; Y159-E161 HydrophobicContact CE1-CG 4.09Å; Y159-E161 WeakPolarHBondContact OH-CG 3.38Å; Y159-E161 PolarHBondContact OH-OE1 2.9Å |
| 160 | F | 98.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.2 | 173.4 | -61.6 | -83.8 | 0 | 0 | 0 | 111.7 | V129 L130 I131 G132 P158 T162 K172 A173 T176 | V129-F160 HydrophobicContact CG1-CD2 3.54Å; V129-F160 HydrophobicContact CG1-CE2 3.85Å; L130-F160 PolarHBondContact O-N 3.23Å; I131-F160 WeakPolarHBondContact CA-O 3.42Å; G132-F160 PolarHBondContact N-O 3Å; P158-F160 HydrophobicContact CB-CE2 3.96Å; F160-T162 HydrophobicContact CB-CG2 3.92Å; F160-K172 HydrophobicContact CD1-CD 4.27Å; F160-K172 HydrophobicContact CD1-CG 4.45Å; F160-K172 HydrophobicContact CE1-CD 3.74Å; F160-K172 HydrophobicContact CE1-CG 3.82Å; F160-K172 HydrophobicContact CZ-CG 4.31Å; F160-A173 HydrophobicContact CB-CB 4.25Å; F160-A173 HydrophobicContact CD2-CB 3.85Å; F160-A173 HydrophobicContact CE2-CB 4.47Å; F160-A173 HydrophobicContact CG-CB 4.1Å; F160-T176 HydrophobicContact CE2-CG2 3.97Å; F160-T176 HydrophobicContact CZ-CG2 4.05Å; F160-T176 VanDerWaalsContact CZ-OG1 3.29Å; F160-T176 WeakPolarHBondContact CZ-OG1 3.44Å |
| 161 | E | 98.8 | Very high | 97.6 | Very high | 30 Ų | 30 | 45 Ų | 45 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.7 | 158.2 | -67.7 | -170 | -176.8 | 0 | 0 | 108.9 | L101 G132 A135 R141 E145 Y159 N169 | L101-E161 HydrophobicContact CD1-CB 4.17Å; L101-E161 HydrophobicContact CD1-CG 4.05Å; L101-E161 HydrophobicContact CD2-CG 4.25Å; G132-E161 CarbonylContact O-C 3.59Å; G132-E161 VanDerWaalsContact O-CA 3.3Å; G132-E161 WeakPolarHBondContact O-CA 3.5Å; A135-E161 HydrophobicContact CB-CB 4.29Å; R141-E161 IonicContact CZ-OE1 3.44Å; R141-E161 IonicContact CZ-OE2 2.82Å; R141-E161 IonicContact NH1-OE1 3.35Å; R141-E161 PolarHBondContact NH1-OE1 3.48Å; R141-E161 IonicContact NH1-OE2 2.68Å; R141-E161 PolarHBondContact NH1-OE2 3.32Å; R141-E161 IonicContact NH2-OE1 2.74Å; R141-E161 PolarHBondContact NH2-OE1 2.81Å; R141-E161 IonicContact NH2-OE2 3.11Å; E145-E161 WeakPolarHBondContact CG-OE1 3.49Å; Y159-E161 HydrophobicContact CE1-CG 4.09Å; Y159-E161 WeakPolarHBondContact OH-CG 3.38Å; Y159-E161 PolarHBondContact OH-OE1 2.9Å; E161-N169 WeakPolarHBondContact O-CB 3.48Å; E161-N169 PolarHBondContact O-ND2 3.18Å |
| 162 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -129.3 | 159.2 | -172.8 | 66.1 | 0 | 0 | 0 | 0 | 111 | F25 I131 G132 N133 K134 A135 F160 Q168 N169 A173 | F25-T162 HydrophobicContact CE2-CG2 4Å; I131-T162 HydrophobicContact CG2-CG2 3.66Å; I131-T162 WeakPolarHBondContact CG2-OG1 3.35Å; G132-T162 PolarHBondContact O-N 3.31Å; N133-T162 CarbonylContact C-O 3.48Å; N133-T162 WeakPolarHBondContact CA-O 2.85Å; N133-T162 PolarHBondContact OD1-O 3.11Å; N133-T162 PolarHBondContact OD1-OG1 3.12Å; K134-T162 PolarHBondContact N-O 3.45Å; A135-T162 WeakPolarHBondContact CB-O 3.5Å; A135-T162 PolarHBondContact N-O 3.35Å; F160-T162 HydrophobicContact CB-CG2 3.92Å; T162-Q168 WeakPolarHBondContact CA-O 3.35Å; T162-Q168 WeakPolarHBondContact CB-O 3.37Å; T162-N169 HydrophobicContact CG2-CB 3.85Å; T162-A173 HydrophobicContact CG2-CB 4.32Å | ||
| 163 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -135.4 | 115.3 | 167.7 | 170 | 0 | 0 | 0 | 0 | 109.6 | D136 A165 T166 G167 Q168 V170 | D136-S163 WeakPolarHBondContact CB-OG 3.4Å; D136-S163 VanDerWaalsContact OD1-CB 3.23Å; D136-S163 WeakPolarHBondContact OD1-CB 3.31Å; D136-S163 PolarHBondContact OD1-OG 3.11Å; S163-A165 PolarHBondContact O-N 3.44Å; S163-A165 PolarHBondContact OG-N 2.88Å; S163-T166 VanDerWaalsContact CB-OG1 3.24Å; S163-T166 WeakPolarHBondContact CB-OG1 3.49Å; S163-T166 PolarHBondContact OG-N 2.67Å; S163-T166 PolarHBondContact OG-OG1 3.46Å; S163-G167 CarbonylContact O-C 3.56Å; S163-G167 VanDerWaalsContact O-CA 3.24Å; S163-G167 WeakPolarHBondContact O-CA 3.44Å; S163-G167 PolarHBondContact O-N 3.02Å; S163-Q168 PolarHBondContact N-O 3.07Å; S163-Q168 PolarHBondContact O-N 3.24Å; S163-V170 WeakPolarHBondContact O-CG2 3.16Å | ||
| 164 | A | 96.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T24 F25 R28 N133 | T24-A164 HydrophobicContact CG2-CB 3.94Å; F25-A164 HydrophobicContact CB-CB 4.35Å; R28-A164 HydrophobicContact CB-CB 4.42Å; R28-A164 PolarHBondContact NE-O 2.68Å; N133-A164 PolarHBondContact OD1-N 2.8Å |
| 165 | A | 96.1 | Very high | 97.7 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -50.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R28 F34 D136 S163 | R28-A165 PolarHBondContact NH2-O 3.13Å; F34-A165 HydrophobicContact CD2-CB 4.14Å; F34-A165 HydrophobicContact CE1-CB 4.34Å; F34-A165 HydrophobicContact CE2-CB 3.88Å; F34-A165 HydrophobicContact CG-CB 4.48Å; F34-A165 HydrophobicContact CZ-CB 4Å; D136-A165 WeakPolarHBondContact OD2-CB 3.35Å; S163-A165 PolarHBondContact O-N 3.44Å; S163-A165 PolarHBondContact OG-N 2.88Å |
| 166 | T | 97 | Very high | 97.8 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 56% | 0.558 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -18.9 | -177.1 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | D136 S163 Q168 | D136-T166 HydrophobicContact CB-CG2 3.91Å; S163-T166 VanDerWaalsContact CB-OG1 3.24Å; S163-T166 WeakPolarHBondContact CB-OG1 3.49Å; S163-T166 PolarHBondContact OG-N 2.67Å; S163-T166 PolarHBondContact OG-OG1 3.46Å; T166-Q168 VanDerWaalsContact C-N 3.32Å; T166-Q168 WeakPolarHBondContact OG1-CB 3.47Å; T166-Q168 PolarHBondContact OG1-N 3.45Å |
| 167 | G | 97.1 | Very high | 97.9 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 26% | 0.258 | 20% | 0.197 | S | C | . | . | trans | 86.6 | -1.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S163 N169 V170 | S163-G167 CarbonylContact O-C 3.56Å; S163-G167 VanDerWaalsContact O-CA 3.24Å; S163-G167 WeakPolarHBondContact O-CA 3.44Å; S163-G167 PolarHBondContact O-N 3.02Å; G167-N169 PolarHBondContact O-N 3.06Å; G167-V170 PolarHBondContact O-N 3.29Å | ||
| 168 | Q | 98.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 36.4 Ų | 36.4 | 39% | 0.393 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 123.8 | -179.9 | 177.3 | -176.5 | -11.8 | 0 | 0 | 111.3 | T162 S163 T166 V170 | T162-Q168 WeakPolarHBondContact CA-O 3.35Å; T162-Q168 WeakPolarHBondContact CB-O 3.37Å; S163-Q168 PolarHBondContact N-O 3.07Å; S163-Q168 PolarHBondContact O-N 3.24Å; T166-Q168 VanDerWaalsContact C-N 3.32Å; T166-Q168 WeakPolarHBondContact OG1-CB 3.47Å; T166-Q168 PolarHBondContact OG1-N 3.45Å; Q168-V170 PolarHBondContact O-N 2.92Å |
| 169 | N | 98.3 | Very high | 97.7 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 6.8 | 176 | -66.1 | -37 | 0 | 0 | 0 | 116.3 | E161 T162 G167 K172 A173 | E161-N169 WeakPolarHBondContact O-CB 3.48Å; E161-N169 PolarHBondContact O-ND2 3.18Å; T162-N169 HydrophobicContact CG2-CB 3.85Å; G167-N169 PolarHBondContact O-N 3.06Å; N169-K172 PolarHBondContact O-N 2.92Å; N169-A173 VanDerWaalsContact O-CB 3.31Å; N169-A173 WeakPolarHBondContact O-CB 3.35Å; N169-A173 PolarHBondContact O-N 2.82Å |
| 170 | V | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -50.6 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | F25 R28 Y29 S163 G167 Q168 V174 | F25-V170 HydrophobicContact CD1-CG1 4.44Å; F25-V170 HydrophobicContact CD2-CB 4.45Å; F25-V170 HydrophobicContact CD2-CG1 4.12Å; F25-V170 HydrophobicContact CD2-CG2 3.89Å; F25-V170 HydrophobicContact CE1-CG1 4.14Å; F25-V170 HydrophobicContact CE2-CB 3.97Å; F25-V170 HydrophobicContact CE2-CG1 3.81Å; F25-V170 HydrophobicContact CE2-CG2 3.74Å; F25-V170 HydrophobicContact CG-CG1 4.41Å; F25-V170 HydrophobicContact CZ-CB 4.28Å; F25-V170 HydrophobicContact CZ-CG1 3.81Å; R28-V170 HydrophobicContact CB-CG1 4.44Å; R28-V170 HydrophobicContact CG-CB 4.25Å; R28-V170 HydrophobicContact CG-CG1 4.03Å; R28-V170 HydrophobicContact CG-CG2 3.97Å; Y29-V170 HydrophobicContact CD2-CG1 4.42Å; S163-V170 WeakPolarHBondContact O-CG2 3.16Å; G167-V170 PolarHBondContact O-N 3.29Å; Q168-V170 PolarHBondContact O-N 2.92Å; V170-V174 WeakPolarHBondContact O-CG2 3.28Å; V170-V174 PolarHBondContact O-N 2.74Å |
| 171 | E | 97.4 | Very high | 97.3 | Very high | 107 Ų | 107 | 37 Ų | 37 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.2 | -48.5 | 177.7 | -174.1 | 155.8 | -130.3 | 0 | 0 | 111.3 | Y29 A173 V174 E175 | Y29-E171 HydrophobicContact CE2-CG 4.37Å; E171-A173 VanDerWaalsContact C-N 3.31Å; E171-A173 PolarHBondContact O-N 3.43Å; E171-V174 PolarHBondContact O-N 2.74Å; E171-V174 VanDerWaalsContact O-N 3.13Å; E171-E175 HydrophobicContact CG-CG 4.19Å; E171-E175 WeakPolarHBondContact CG-OE1 3.44Å; E171-E175 WeakPolarHBondContact O-CB 3.39Å; E171-E175 WeakPolarHBondContact O-CG 3.48Å; E171-E175 PolarHBondContact O-N 3.2Å |
| 172 | K | 98.1 | Very high | 97 | Very high | 116 Ų | 116 | 35.7 Ų | 35.7 | 50% | 0.504 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.4 | -42.2 | 178.7 | -169 | 178.1 | -174.4 | -177.9 | 0 | 113.1 | F160 N169 T176 | F160-K172 HydrophobicContact CD1-CD 4.27Å; F160-K172 HydrophobicContact CD1-CG 4.45Å; F160-K172 HydrophobicContact CE1-CD 3.74Å; F160-K172 HydrophobicContact CE1-CG 3.82Å; F160-K172 HydrophobicContact CZ-CG 4.31Å; N169-K172 PolarHBondContact O-N 2.92Å; K172-T176 VanDerWaalsContact O-CB 3.32Å; K172-T176 WeakPolarHBondContact O-CB 3.4Å; K172-T176 PolarHBondContact O-N 2.85Å; K172-T176 PolarHBondContact O-OG1 3.22Å |
| 173 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | F25 V129 I131 F160 T162 N169 E171 L177 | F25-A173 HydrophobicContact CZ-CB 4.26Å; V129-A173 HydrophobicContact CG1-CB 4.4Å; I131-A173 HydrophobicContact CD1-CB 3.96Å; I131-A173 HydrophobicContact CG1-CB 4.32Å; F160-A173 HydrophobicContact CB-CB 4.25Å; F160-A173 HydrophobicContact CD2-CB 3.85Å; F160-A173 HydrophobicContact CE2-CB 4.47Å; F160-A173 HydrophobicContact CG-CB 4.1Å; T162-A173 HydrophobicContact CG2-CB 4.32Å; N169-A173 VanDerWaalsContact O-CB 3.31Å; N169-A173 WeakPolarHBondContact O-CB 3.35Å; N169-A173 PolarHBondContact O-N 2.82Å; E171-A173 VanDerWaalsContact C-N 3.31Å; E171-A173 PolarHBondContact O-N 3.43Å; A173-L177 PolarHBondContact O-N 3.25Å |
| 174 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70 | -41.6 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | L12 F25 Y29 L70 L96 V170 E171 T176 L177 L178 | L12-V174 HydrophobicContact CD1-CG1 3.98Å; F25-V174 HydrophobicContact CE1-CG2 3.72Å; F25-V174 HydrophobicContact CZ-CG2 4.06Å; Y29-V174 HydrophobicContact CD1-CG1 4.3Å; Y29-V174 HydrophobicContact CD1-CG2 4.38Å; Y29-V174 HydrophobicContact CD2-CB 4.04Å; Y29-V174 HydrophobicContact CD2-CG1 4.39Å; Y29-V174 HydrophobicContact CD2-CG2 3.91Å; Y29-V174 HydrophobicContact CE1-CB 4.4Å; Y29-V174 HydrophobicContact CE1-CG1 3.72Å; Y29-V174 HydrophobicContact CE2-CB 3.71Å; Y29-V174 HydrophobicContact CE2-CG1 3.83Å; Y29-V174 HydrophobicContact CE2-CG2 4.12Å; Y29-V174 HydrophobicContact CG-CG2 4.04Å; Y29-V174 VanDerWaalsContact CZ-CG1 3.44Å; L70-V174 HydrophobicContact CD1-CG1 4.41Å; L96-V174 HydrophobicContact CD1-CG2 4.27Å; L96-V174 HydrophobicContact CD2-CG2 4.3Å; V170-V174 WeakPolarHBondContact O-CG2 3.28Å; V170-V174 PolarHBondContact O-N 2.74Å; E171-V174 PolarHBondContact O-N 2.74Å; E171-V174 VanDerWaalsContact O-N 3.13Å; V174-T176 VanDerWaalsContact C-N 3.35Å; V174-T176 PolarHBondContact O-N 3.01Å; V174-L177 PolarHBondContact O-N 3.19Å; V174-L178 PolarHBondContact O-N 2.77Å |
| 175 | E | 96.6 | Very high | 95.7 | Very high | 98 Ų | 98 | 45.2 Ų | 45.2 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 176.6 | -72.3 | 178 | 162.9 | 0 | 0 | 112.3 | E171 L177 L178 D179 | E171-E175 HydrophobicContact CG-CG 4.19Å; E171-E175 WeakPolarHBondContact CG-OE1 3.44Å; E171-E175 WeakPolarHBondContact O-CB 3.39Å; E171-E175 WeakPolarHBondContact O-CG 3.48Å; E171-E175 PolarHBondContact O-N 3.2Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L178 PolarHBondContact O-N 2.85Å; E175-D179 WeakPolarHBondContact O-CB 3.22Å; E175-D179 PolarHBondContact O-N 3.38Å |
| 176 | T | 97.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | V129 P158 F160 K172 V174 L178 D179 L180 | V129-T176 HydrophobicContact CG2-CG2 4.4Å; P158-T176 HydrophobicContact CB-CG2 4.15Å; P158-T176 HydrophobicContact CG-CG2 4.02Å; F160-T176 HydrophobicContact CE2-CG2 3.97Å; F160-T176 HydrophobicContact CZ-CG2 4.05Å; F160-T176 VanDerWaalsContact CZ-OG1 3.29Å; F160-T176 WeakPolarHBondContact CZ-OG1 3.44Å; K172-T176 VanDerWaalsContact O-CB 3.32Å; K172-T176 WeakPolarHBondContact O-CB 3.4Å; K172-T176 PolarHBondContact O-N 2.85Å; K172-T176 PolarHBondContact O-OG1 3.22Å; V174-T176 VanDerWaalsContact C-N 3.35Å; V174-T176 PolarHBondContact O-N 3.01Å; T176-L178 VanDerWaalsContact C-N 3.34Å; T176-D179 PolarHBondContact O-N 2.86Å; T176-L180 WeakPolarHBondContact O-CG 3.43Å; T176-L180 PolarHBondContact O-N 3.46Å; T176-L180 VanDerWaalsContact O-N 3.09Å |
| 177 | L | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.8 | -178.3 | 58 | 0 | 0 | 0 | 111.6 | L12 L96 D127 V129 A173 V174 E175 L180 I181 | L12-L177 HydrophobicContact CD1-CD2 4.25Å; L12-L177 HydrophobicContact CD2-CD2 3.91Å; L12-L177 HydrophobicContact CD2-CG 4.13Å; L12-L177 HydrophobicContact CG-CD2 4.49Å; L96-L177 HydrophobicContact CD2-CB 4.46Å; L96-L177 HydrophobicContact CD2-CD2 3.6Å; L96-L177 HydrophobicContact CG-CD2 3.76Å; D127-L177 HydrophobicContact CB-CD1 3.8Å; V129-L177 HydrophobicContact CB-CB 4.48Å; V129-L177 HydrophobicContact CG2-CB 3.75Å; V129-L177 HydrophobicContact CG2-CD1 4.15Å; V129-L177 HydrophobicContact CG2-CG 4.47Å; A173-L177 PolarHBondContact O-N 3.25Å; V174-L177 PolarHBondContact O-N 3.19Å; E175-L177 VanDerWaalsContact C-N 3.34Å; L177-L180 PolarHBondContact O-N 2.83Å; L177-I181 HydrophobicContact CD1-CD1 4.26Å; L177-I181 HydrophobicContact CG-CD1 4.09Å; L177-I181 WeakPolarHBondContact O-CD1 3.27Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 2.84Å; L177-I181 VanDerWaalsContact O-N 3.15Å |
| 178 | L | 96.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 176 | 178.1 | 59.1 | 0 | 0 | 0 | 111.5 | I10 V51 Y53 V68 L70 V174 E175 T176 L180 I181 M182 | I10-L178 HydrophobicContact CG1-CD1 4.13Å; I10-L178 HydrophobicContact CG2-CD1 4.31Å; V51-L178 HydrophobicContact CG2-CD2 3.93Å; Y53-L178 HydrophobicContact CD2-CD2 4.31Å; Y53-L178 HydrophobicContact CD2-CG 4.28Å; V68-L178 HydrophobicContact CG1-CD1 4.14Å; L70-L178 HydrophobicContact CD2-CD1 4.11Å; L70-L178 HydrophobicContact CD2-CD2 4.46Å; V174-L178 PolarHBondContact O-N 2.77Å; E175-L178 PolarHBondContact O-N 2.85Å; T176-L178 VanDerWaalsContact C-N 3.34Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.09Å; L178-I181 PolarHBondContact O-N 2.77Å; L178-M182 HydrophobicContact CD1-CG 3.83Å; L178-M182 HydrophobicContact CD1-SD 4.33Å; L178-M182 HydrophobicContact CG-CG 4.18Å; L178-M182 WeakPolarHBondContact O-CB 3.37Å; L178-M182 VanDerWaalsContact O-CG 3.24Å; L178-M182 WeakPolarHBondContact O-CG 3.15Å; L178-M182 PolarHBondContact O-N 2.81Å |
| 179 | D | 95.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 177.1 | 176.1 | 70.6 | 0 | 0 | 0 | 112.2 | Y53 E175 T176 I181 M182 K183 | Y53-D179 HydrophobicContact CE2-CB 4.29Å; Y53-D179 PolarHBondContact OH-OD1 3.07Å; E175-D179 WeakPolarHBondContact O-CB 3.22Å; E175-D179 PolarHBondContact O-N 3.38Å; T176-D179 PolarHBondContact O-N 2.86Å; D179-I181 PolarHBondContact O-N 2.79Å; D179-M182 PolarHBondContact O-N 3.06Å; D179-K183 VanDerWaalsContact CG-NZ 3.34Å; D179-K183 WeakPolarHBondContact O-CB 3.43Å; D179-K183 VanDerWaalsContact O-CG 3.32Å; D179-K183 WeakPolarHBondContact O-CG 3.5Å; D179-K183 PolarHBondContact O-N 3.25Å; D179-K183 WeakPolarHBondContact OD1-CE 3.32Å; D179-K183 IonicContact OD1-NZ 3.67Å; D179-K183 PolarHBondContact OD1-NZ 3.18Å; D179-K183 WeakPolarHBondContact OD2-CE 3.46Å; D179-K183 IonicContact OD2-NZ 3.28Å; D179-K183 PolarHBondContact OD2-NZ 3.09Å |
| 180 | L | 94.9 | Very high | 90.9 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 174.8 | -70.7 | 173.6 | 0 | 0 | 0 | 112 | D127 V129 P158 T176 L177 L178 K183 R184 | D127-L180 HydrophobicContact CB-CB 4.09Å; V129-L180 HydrophobicContact CG2-CD1 4.38Å; P158-L180 HydrophobicContact CG-CD1 3.97Å; T176-L180 WeakPolarHBondContact O-CG 3.43Å; T176-L180 PolarHBondContact O-N 3.46Å; T176-L180 VanDerWaalsContact O-N 3.09Å; L177-L180 PolarHBondContact O-N 2.83Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.09Å; L180-K183 PolarHBondContact O-N 3.24Å; L180-R184 WeakPolarHBondContact O-CB 3.18Å; L180-R184 PolarHBondContact O-N 3.04Å |
| 181 | I | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | -179.4 | -65.6 | 163.9 | 0 | 0 | 0 | 110.8 | I10 L12 M93 D127 L177 L178 D179 R184 M185 | I10-I181 HydrophobicContact CD1-CG2 4.04Å; I10-I181 HydrophobicContact CG2-CD1 4.01Å; I10-I181 HydrophobicContact CG2-CG2 4.3Å; L12-I181 HydrophobicContact CD2-CD1 3.29Å; M93-I181 HydrophobicContact CB-CD1 4.2Å; M93-I181 HydrophobicContact CB-CG2 4.18Å; D127-I181 HydrophobicContact CB-CG1 3.98Å; D127-I181 WeakPolarHBondContact OD2-CA 3.28Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.19Å; L177-I181 HydrophobicContact CD1-CD1 4.26Å; L177-I181 HydrophobicContact CG-CD1 4.09Å; L177-I181 WeakPolarHBondContact O-CD1 3.27Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 2.84Å; L177-I181 VanDerWaalsContact O-N 3.15Å; L178-I181 PolarHBondContact O-N 2.77Å; D179-I181 PolarHBondContact O-N 2.79Å; I181-R184 PolarHBondContact O-N 3.24Å; I181-M185 HydrophobicContact CG2-CG 4.42Å; I181-M185 HydrophobicContact CG2-SD 4.02Å; I181-M185 WeakPolarHBondContact O-CG 3.37Å; I181-M185 PolarHBondContact O-N 3.04Å |
| 182 | M | 92.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | -179.7 | -70.5 | -60.1 | -70.4 | 0 | 0 | 111.1 | Y8 I10 Y53 F66 L178 D179 R184 M185 E186 | Y8-M182 HydrophobicContact CD2-CE 3.61Å; Y8-M182 HydrophobicContact CD2-SD 4.31Å; Y8-M182 HydrophobicContact CE2-CE 3.66Å; Y8-M182 HydrophobicContact CG-CE 4.39Å; I10-M182 HydrophobicContact CD1-SD 4.43Å; Y53-M182 HydrophobicContact CD1-CB 4.24Å; Y53-M182 HydrophobicContact CD1-CE 3.56Å; Y53-M182 HydrophobicContact CD1-CG 3.91Å; Y53-M182 HydrophobicContact CD2-CG 4.21Å; Y53-M182 HydrophobicContact CE1-CB 3.66Å; Y53-M182 HydrophobicContact CE1-CE 3.91Å; Y53-M182 HydrophobicContact CE1-CG 3.86Å; Y53-M182 HydrophobicContact CE2-CB 4.19Å; Y53-M182 HydrophobicContact CE2-CG 4.17Å; Y53-M182 HydrophobicContact CG-CE 4.29Å; Y53-M182 HydrophobicContact CG-CG 4.07Å; F66-M182 HydrophobicContact CB-CE 4.49Å; F66-M182 HydrophobicContact CD2-CE 4.29Å; F66-M182 HydrophobicContact CG-CE 4.49Å; L178-M182 HydrophobicContact CD1-CG 3.83Å; L178-M182 HydrophobicContact CD1-SD 4.33Å; L178-M182 HydrophobicContact CG-CG 4.18Å; L178-M182 WeakPolarHBondContact O-CB 3.37Å; L178-M182 VanDerWaalsContact O-CG 3.24Å; L178-M182 WeakPolarHBondContact O-CG 3.15Å; L178-M182 PolarHBondContact O-N 2.81Å; D179-M182 PolarHBondContact O-N 3.06Å; M182-R184 VanDerWaalsContact C-N 3.34Å; M182-R184 PolarHBondContact O-N 3.38Å; M182-M185 WeakPolarHBondContact O-CB 3.38Å; M182-M185 PolarHBondContact O-N 3.41Å; M182-M185 VanDerWaalsContact O-N 3.16Å; M182-E186 WeakPolarHBondContact O-CG 3.36Å; M182-E186 PolarHBondContact O-N 3.07Å |
| 183 | K | 90.4 | Very high | 84.9 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 41% | 0.409 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 174.2 | -76.3 | 172 | 176.3 | 163.5 | 0 | 112.5 | D179 L180 M185 E186 Q187 | D179-K183 VanDerWaalsContact CG-NZ 3.34Å; D179-K183 WeakPolarHBondContact O-CB 3.43Å; D179-K183 VanDerWaalsContact O-CG 3.32Å; D179-K183 WeakPolarHBondContact O-CG 3.5Å; D179-K183 PolarHBondContact O-N 3.25Å; D179-K183 WeakPolarHBondContact OD1-CE 3.32Å; D179-K183 IonicContact OD1-NZ 3.67Å; D179-K183 PolarHBondContact OD1-NZ 3.18Å; D179-K183 WeakPolarHBondContact OD2-CE 3.46Å; D179-K183 IonicContact OD2-NZ 3.28Å; D179-K183 PolarHBondContact OD2-NZ 3.09Å; L180-K183 PolarHBondContact O-N 3.24Å; K183-M185 VanDerWaalsContact C-N 3.33Å; K183-E186 PolarHBondContact O-N 3.44Å; K183-Q187 VanDerWaalsContact O-CG 3.31Å; K183-Q187 WeakPolarHBondContact O-CG 3.27Å; K183-Q187 PolarHBondContact O-N 3.42Å; K183-Q187 VanDerWaalsContact O-N 3.11Å |
| 184 | R | 89.4 | Confident | 82.5 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.2 | -173.9 | 179.2 | 67.8 | -151.1 | -11.3 | 111.4 | M93 D127 L180 I181 M182 Q187 C188 | M93-R184 PolarHBondContact O-NH2 3.36Å; D127-R184 IonicContact OD1-NH1 3.38Å; D127-R184 IonicContact OD2-CZ 3.37Å; D127-R184 IonicContact OD2-NE 3.22Å; D127-R184 PolarHBondContact OD2-NE 3.23Å; D127-R184 IonicContact OD2-NH1 2.68Å; D127-R184 PolarHBondContact OD2-NH1 3.4Å; D127-R184 IonicContact OD2-NH2 2.64Å; D127-R184 PolarHBondContact OD2-NH2 3.15Å; D127-R184 VanDerWaalsContact OD2-NH2 3.11Å; L180-R184 WeakPolarHBondContact O-CB 3.18Å; L180-R184 PolarHBondContact O-N 3.04Å; I181-R184 PolarHBondContact O-N 3.24Å; M182-R184 VanDerWaalsContact C-N 3.34Å; M182-R184 PolarHBondContact O-N 3.38Å; R184-Q187 PolarHBondContact O-N 3.37Å; R184-C188 PolarHBondContact O-N 2.71Å; R184-C188 VanDerWaalsContact O-N 3.12Å; R184-C188 PolarHBondContact O-SG 3.48Å; R184-C188 VanDerWaalsContact O-SG 3.35Å |
| 185 | M | 86.9 | Confident | 79.9 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 177.4 | -72.5 | 178.4 | 66.9 | 0 | 0 | 111.9 | Y8 I10 M93 I181 M182 K183 Q187 C188 V189 | Y8-M185 HydrophobicContact CD1-CE 3.62Å; Y8-M185 HydrophobicContact CE1-CE 3.79Å; I10-M185 HydrophobicContact CD1-CE 4.39Å; I10-M185 HydrophobicContact CD1-SD 3.58Å; I10-M185 VanDerWaalsContact CD1-SD 3.58Å; M93-M185 HydrophobicContact CE-CE 4.47Å; M93-M185 HydrophobicContact CE-SD 4.1Å; I181-M185 HydrophobicContact CG2-CG 4.42Å; I181-M185 HydrophobicContact CG2-SD 4.02Å; I181-M185 WeakPolarHBondContact O-CG 3.37Å; I181-M185 PolarHBondContact O-N 3.04Å; M182-M185 WeakPolarHBondContact O-CB 3.38Å; M182-M185 PolarHBondContact O-N 3.41Å; M182-M185 VanDerWaalsContact O-N 3.16Å; K183-M185 VanDerWaalsContact C-N 3.33Å; M185-Q187 PolarHBondContact O-N 3.25Å; M185-C188 PolarHBondContact O-N 2.89Å; M185-V189 WeakPolarHBondContact O-CG2 3.13Å; M185-V189 PolarHBondContact O-N 3.08Å |
| 186 | E | 83.7 | Confident | 77.7 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 175.5 | -72.8 | 169.6 | -176.4 | 0 | 0 | 111.5 | M182 K183 C188 V189 E190 | M182-E186 WeakPolarHBondContact O-CG 3.36Å; M182-E186 PolarHBondContact O-N 3.07Å; K183-E186 PolarHBondContact O-N 3.44Å; E186-C188 VanDerWaalsContact C-N 3.32Å; E186-C188 PolarHBondContact O-N 2.84Å; E186-V189 PolarHBondContact O-N 2.95Å; E186-V189 VanDerWaalsContact O-N 3.15Å; E186-E190 PolarHBondContact O-N 3.04Å |
| 187 | Q | 82.3 | Confident | 75.1 | Confident | 108 Ų | 108 | 82.1 Ų | 82.1 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 178.8 | -69.7 | 172.2 | 9.7 | 0 | 0 | 113.4 | K183 R184 M185 K191 | K183-Q187 VanDerWaalsContact O-CG 3.31Å; K183-Q187 WeakPolarHBondContact O-CG 3.27Å; K183-Q187 PolarHBondContact O-N 3.42Å; K183-Q187 VanDerWaalsContact O-N 3.11Å; R184-Q187 PolarHBondContact O-N 3.37Å; M185-Q187 PolarHBondContact O-N 3.25Å; Q187-K191 VanDerWaalsContact O-CG 3.28Å; Q187-K191 WeakPolarHBondContact O-CG 3.5Å; Q187-K191 PolarHBondContact O-N 3.02Å |
| 188 | C | 78.9 | Confident | 72.7 | Confident | 72 Ų | 72 | 88 Ų | 88 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.5 | -35.9 | 175.6 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | R184 M185 E186 T192 | R184-C188 PolarHBondContact O-N 2.71Å; R184-C188 VanDerWaalsContact O-N 3.12Å; R184-C188 PolarHBondContact O-SG 3.48Å; R184-C188 VanDerWaalsContact O-SG 3.35Å; M185-C188 PolarHBondContact O-N 2.89Å; E186-C188 VanDerWaalsContact C-N 3.32Å; E186-C188 PolarHBondContact O-N 2.84Å; C188-T192 PolarHBondContact O-N 3.48Å; C188-T192 PolarHBondContact O-OG1 3.1Å |
| 189 | V | 73.7 | Confident | 69.9 | Low | 72 Ų | 72 | 95.9 Ų | 95.9 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.7 | -46.1 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | M185 E186 K191 T192 Q193 | M185-V189 WeakPolarHBondContact O-CG2 3.13Å; M185-V189 PolarHBondContact O-N 3.08Å; E186-V189 PolarHBondContact O-N 2.95Å; E186-V189 VanDerWaalsContact O-N 3.15Å; V189-K191 PolarHBondContact O-N 3.23Å; V189-T192 PolarHBondContact O-N 3Å; V189-Q193 HydrophobicContact CG1-CG 4.4Å; V189-Q193 WeakPolarHBondContact O-CG 3.43Å; V189-Q193 PolarHBondContact O-N 3.25Å; V189-Q193 VanDerWaalsContact O-N 3.09Å |
| 190 | E | 67.4 | Low | 67.2 | Low | 135 Ų | 135 | 97 Ų | 97 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.3 | -42.1 | 178.9 | -73 | -178 | 169.1 | 0 | 0 | 112.6 | E186 T192 Q193 | E186-E190 PolarHBondContact O-N 3.04Å; E190-T192 PolarHBondContact O-N 3.47Å; E190-Q193 PolarHBondContact O-N 3.14Å |
| 191 | K | 61.6 | Low | 64.2 | Low | 158 Ų | 158 | 98.4 Ų | 98.4 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.3 | -26.4 | 175.5 | -74.8 | 173.2 | -177.3 | 174.7 | 0 | 113.3 | Q187 V189 | Q187-K191 VanDerWaalsContact O-CG 3.28Å; Q187-K191 WeakPolarHBondContact O-CG 3.5Å; Q187-K191 PolarHBondContact O-N 3.02Å; V189-K191 PolarHBondContact O-N 3.23Å |
| 192 | T | 56.6 | Low | 61.3 | Low | 115 Ų | 115 | 106.5 Ų | 106.5 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -89 | -19.3 | -179.6 | -43.9 | 0 | 0 | 0 | 0 | 112 | C188 V189 E190 I194 | C188-T192 PolarHBondContact O-N 3.48Å; C188-T192 PolarHBondContact O-OG1 3.1Å; V189-T192 PolarHBondContact O-N 3Å; E190-T192 PolarHBondContact O-N 3.47Å; T192-I194 VanDerWaalsContact C-N 3.33Å |
| 193 | Q | 50.8 | Low | 59 | Low | 146 Ų | 146 | 112.1 Ų | 112.1 | 68% | 0.682 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -89.8 | 12.7 | 178.9 | -70.7 | -174.1 | 9.6 | 0 | 0 | 114.2 | V189 E190 P195 | V189-Q193 HydrophobicContact CG1-CG 4.4Å; V189-Q193 WeakPolarHBondContact O-CG 3.43Å; V189-Q193 PolarHBondContact O-N 3.25Å; V189-Q193 VanDerWaalsContact O-N 3.09Å; E190-Q193 PolarHBondContact O-N 3.14Å; Q193-P195 WeakPolarHBondContact O-CD 3.26Å |
| 194 | I | 47.6 | Very low | 56.2 | Low | 147 Ų | 147 | 111.2 Ų | 111.2 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | trans | -101.1 | 88.4 | 164.8 | -49.9 | 172.7 | 0 | 0 | 0 | 109.8 | T192 | T192-I194 VanDerWaalsContact C-N 3.33Š| ||
| 195 | P | 43.2 | Very low | 53.9 | Low | 98 Ų | 98 | 118 Ų | 118 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | -109.7 | 124.8 | 155.6 | 29.6 | -17.2 | 0 | 0 | 0 | 111.4 | Q193 | Q193-P195 WeakPolarHBondContact O-CD 3.26Š| ||
| 196 | D | 50.4 | Low | 51.5 | Low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | 42 | 105.6 | 154.3 | -63.9 | -39.1 | 0 | 0 | 0 | 120.1 | ||||
| 197 | T | 42.6 | Very low | 49.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -155.9 | 94.8 | 139.5 | -2.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 198 | V | 48.6 | Very low | 47 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 48.8 | 122.4 | 130.3 | -171.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 199 | N | 38.4 | Very low | 44.9 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | -159.4 | 126.4 | 126.7 | -110.8 | -12.6 | 0 | 0 | 0 | 107.5 | |||||
| 200 | G | 36.9 | Very low | 43.6 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | 120.5 | 84.7 | 24.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 201 | G | 32 | Very low | 42.6 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 111.8 | 99.5 | 156 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 202 | N | 33 | Very low | 41.7 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | -158.3 | 135 | 120.3 | -134.3 | -2.5 | 0 | 0 | 0 | 112.5 | |||||
| 203 | S | 43.5 | Very low | 41.1 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -75.7 | 133 | 178.8 | -33.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 204 | G | 32.9 | Very low | 40.7 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -170.8 | 95.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 205 | K | 39.8 | Very low | 40.3 | Very low | 203 Ų | 203 | 145 Ų | 145 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -54.3 | 138.4 | 160.5 | -86.7 | 176.4 | 166.4 | -179.6 | 0 | 109.4 | ||||
| 206 | L | 36.9 | Very low | 39.9 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | trans | -168.3 | 141.1 | 140.7 | -96.5 | 140.7 | 0 | 0 | 0 | 110.2 | ||||
| 207 | D | 36.3 | Very low | 39.8 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 84% | 0.841 | S | S | * | * | trans | -75.1 | 152.2 | -166 | -63.9 | -66.1 | 0 | 0 | 0 | 115.6 | ||||
| 208 | G | 36.7 | Very low | 39.9 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 74% | 0.742 | 86% | 0.861 | S | S | * | * | trans | 65 | 109.9 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 209 | E | 34.2 | Very low | 39.4 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 93% | 0.93 | 87% | 0.867 | S | S | * | * | -176.8 | 137.3 | 120.7 | -113.2 | 178.8 | 129.1 | 0 | 0 | 111.2 | |||||
| 210 | K | 46.7 | Very low | 39.5 | Very low | 201 Ų | 201 | 147.9 Ų | 147.9 | 87% | 0.874 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 137.6 | 174.3 | -84.1 | 178.8 | 174.1 | 178.7 | 0 | 110.2 | ||
| 211 | P | 45.2 | Very low | 39.6 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 77% | 0.773 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 147.5 | 171.2 | 30.8 | -30.5 | 0 | 0 | 0 | 111.6 | ||
| 212 | P | 42.6 | Very low | 40.1 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 75% | 0.747 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 142.8 | -178.4 | 31.7 | -32.7 | 0 | 0 | 0 | 112.4 | K214 | P212-K214 PolarHBondContact O-N 3.48Š|
| 213 | E | 44.7 | Very low | 40.5 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 92% | 0.916 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.3 | 169.9 | -71 | 175.8 | 150.6 | 0 | 0 | 111.4 | ||
| 214 | K | 42.2 | Very low | 40.3 | Very low | 205 Ų | 205 | 157.9 Ų | 157.9 | 89% | 0.891 | 88% | 0.875 | S | S | * | * | trans | -105.3 | 117.4 | 164.1 | -76.5 | -171.5 | 178.4 | -179.5 | 0 | 109.8 | P212 | P212-K214 PolarHBondContact O-N 3.48Š| ||
| 215 | K | 39.5 | Very low | 40.8 | Very low | 198 Ų | 198 | 163.9 Ų | 163.9 | 86% | 0.861 | 88% | 0.882 | S | S | * | * | trans | -62.5 | 138.9 | 175.8 | -72.8 | 174.1 | 172.5 | 176.8 | 0 | 111.8 | ||||
| 216 | C | 35.4 | Very low | 40.9 | Very low | 133 Ų | 133 | 160.8 Ų | 160.8 | 90% | 0.899 | 88% | 0.882 | S | S | * | * | trans | -55.2 | 142.4 | 157.9 | -76.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 217 | V | 46.8 | Very low | 41.3 | Very low | 127 Ų | 127 | 159.7 Ų | 159.7 | 77% | 0.77 | 88% | 0.879 | S | S | * | * | trans | -125.2 | 140.3 | 162.4 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 218 | C | 44.9 | Very low | 41.7 | Very low | 190 Ų | 190 | 159.5 Ų | 159.5 | 100% | 1.284 | 88% | 0.881 | S | S | * | * | trans | -45.2 | 0 | -175 | 52.5 | 0 | 0 | 0 | 0 | 117.3 |
Retrieved 218 of 218 residues in 62.2 ms
(Link to these results)