| 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 | 43.1 | Very low | 76.9 | Confident | 248 Ų | 248 | 86.5 Ų | 86.5 | 100% | 1.222 | 47% | 0.466 | S | S | * | . | 0 | 140 | 0 | -69 | 170.1 | 175.9 | 0 | 0 | 106.7 | |||||
| 2 | S | 44.8 | Very low | 78.5 | Confident | 96 Ų | 96 | 79.4 Ų | 79.4 | 67% | 0.671 | 43% | 0.428 | S | S | * | . | trans | -73.5 | 139.7 | -165.8 | 41.4 | 0 | 0 | 0 | 0 | 113.8 | G4 | S2-G4 PolarHBondContact O-N 3.26Š| ||
| 3 | D | 56.9 | Low | 79.8 | Confident | 145 Ų | 145 | 73.4 Ų | 73.4 | 78% | 0.775 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 24.7 | -174.1 | -147.6 | 10.6 | 0 | 0 | 0 | 114.4 | Y6 | D3-Y6 PolarHBondContact OD1-OH 2.75Š|
| 4 | G | 58.6 | Low | 80.9 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 14.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S2 | S2-G4 PolarHBondContact O-N 3.26Š|
| 5 | D | 84.8 | Confident | 81.7 | Confident | 77 Ų | 77 | 63.7 Ų | 63.7 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -94 | -6.5 | -169.2 | -115.7 | 2.3 | 0 | 0 | 0 | 114.7 | R50 R67 | D5-R50 IonicContact OD2-CZ 4Å; D5-R50 IonicContact OD2-NH1 2.95Å; D5-R50 PolarHBondContact OD2-NH1 2.83Å; D5-R50 IonicContact OD2-NH2 3.03Å; D5-R50 PolarHBondContact OD2-NH2 3.03Å; D5-R67 WeakPolarHBondContact O-CD 3.32Å; D5-R67 PolarHBondContact O-NH1 3.03Å |
| 6 | Y | 89.3 | Confident | 82.5 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 24% | 0.235 | 32% | 0.322 | C | S | . | . | trans | -130.9 | 156.4 | 179.1 | 58.3 | -92.6 | 0 | 0 | 0 | 110.5 | D3 Y8 L9 H69 | D3-Y6 PolarHBondContact OD1-OH 2.75Å; Y6-Y8 WeakPolarHBondContact CD2-O 3.39Å; Y6-L9 HydrophobicContact CD2-CB 4.46Å; Y6-L9 HydrophobicContact CE2-CB 3.78Å; Y6-H69 HydrophobicContact CD1-CB 3.77Å; Y6-H69 AromaticContact CD1-ND1 3.85Å; Y6-H69 HydrophobicContact CD2-CB 3.93Å; Y6-H69 HydrophobicContact CE1-CB 4.24Å; Y6-H69 AromaticContact CE1-ND1 3.64Å; Y6-H69 HydrophobicContact CE2-CB 4.36Å; Y6-H69 HydrophobicContact CG-CB 3.61Å | ||
| 7 | D | 90.7 | Very high | 83.1 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -94 | -30.8 | 179.5 | -53.9 | -55.8 | 0 | 0 | 0 | 111.1 | R67 | D7-R67 PolarHBondContact N-O 3.01Å; D7-R67 IonicContact OD1-CZ 2.75Å; D7-R67 IonicContact OD1-NE 2.91Å; D7-R67 PolarHBondContact OD1-NE 2.84Å; D7-R67 IonicContact OD1-NH2 3.44Å; D7-R67 PolarHBondContact OD1-NH2 3.36Å; D7-R67 VanDerWaalsContact OD2-CB 3.27Å; D7-R67 WeakPolarHBondContact OD2-CB 3.23Å; D7-R67 WeakPolarHBondContact OD2-CG 3.49Å; D7-R67 IonicContact OD2-CZ 3.52Å; D7-R67 PolarHBondContact OD2-N 3.05Å; D7-R67 IonicContact OD2-NE 2.74Å; D7-R67 PolarHBondContact OD2-NE 3.22Å; D7-R67 IonicContact OD2-NH2 2.71Å |
| 8 | Y | 93.1 | Very high | 83.6 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.5 | 177 | -58 | -90.3 | 0 | 0 | 0 | 112 | Y6 Q66 R67 I68 H69 M182 M185 | Y6-Y8 WeakPolarHBondContact CD2-O 3.39Å; Y8-Q66 HydrophobicContact CD2-CB 4.21Å; Y8-Q66 HydrophobicContact CE2-CB 4.03Å; Y8-Q66 HydrophobicContact CE2-CG 4Å; Y8-R67 PolarHBondContact N-O 3.16Å; Y8-R67 VanDerWaalsContact N-O 3.15Å; Y8-I68 HydrophobicContact CD2-CD1 3.76Å; Y8-I68 HydrophobicContact CG-CD1 4.18Å; Y8-I68 WeakPolarHBondContact O-CA 3.31Å; Y8-H69 PolarHBondContact O-N 3.21Å; Y8-M182 HydrophobicContact CD1-CE 4.44Å; Y8-M182 HydrophobicContact CD2-CE 3.86Å; Y8-M182 HydrophobicContact CE2-CE 4.03Å; Y8-M182 HydrophobicContact CG-CE 4.09Å; Y8-M185 HydrophobicContact CD1-SD 4.11Å; Y8-M185 HydrophobicContact CE1-SD 4.4Å |
| 9 | L | 94.5 | Very high | 84.1 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.2 | 164.5 | 178.5 | 66.5 | 0 | 0 | 0 | 108.3 | Y6 H69 Q71 | Y6-L9 HydrophobicContact CD2-CB 4.46Å; Y6-L9 HydrophobicContact CE2-CB 3.78Å; L9-H69 HydrophobicContact CD1-CB 4.03Å; L9-Q71 HydrophobicContact CD1-CG 4.03Å |
| 10 | I | 95.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.8 | -176.4 | -60.5 | -65.7 | 0 | 0 | 0 | 109.2 | F12 I68 H69 L70 Q71 M93 L178 I181 M182 M185 | I10-F12 HydrophobicContact CG2-CD1 3.9Å; I10-F12 HydrophobicContact CG2-CE1 3.2Å; I10-F12 HydrophobicContact CG2-CZ 3.72Å; I10-I68 HydrophobicContact CB-CG2 3.91Å; I10-I68 HydrophobicContact CG1-CG2 3.54Å; I10-H69 PolarHBondContact N-O 3.36Å; I10-L70 HydrophobicContact CB-CD2 4.04Å; I10-L70 HydrophobicContact CG2-CD2 3.97Å; I10-L70 WeakPolarHBondContact O-CA 3.36Å; I10-Q71 PolarHBondContact O-N 2.87Å; I10-M93 HydrophobicContact CD1-CE 4.48Å; I10-M93 HydrophobicContact CD1-SD 3.89Å; I10-M93 HydrophobicContact CG2-SD 4.4Å; I10-L178 HydrophobicContact CG1-CD1 4.36Å; I10-L178 HydrophobicContact CG2-CD1 4.32Å; I10-I181 HydrophobicContact CD1-CG2 4.24Å; I10-M182 HydrophobicContact CD1-SD 4.13Å; I10-M182 HydrophobicContact CG1-SD 4.4Å; I10-M185 HydrophobicContact CD1-CE 3.28Å; I10-M185 HydrophobicContact CD1-SD 4.02Å |
| 11 | K | 94.9 | Very high | 85.2 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.1 | -177.6 | -63.8 | 176.2 | 176.3 | -178.1 | 0 | 111 | Q71 D91 M93 G94 | K11-Q71 CarbonylContact C-O 3.51Å; K11-Q71 WeakPolarHBondContact CA-O 3.3Å; K11-Q71 HydrophobicContact CG-CB 4.14Å; K11-D91 VanDerWaalsContact CD-O 3.28Å; K11-D91 WeakPolarHBondContact CD-O 3.44Å; K11-M93 HydrophobicContact CB-CG 4.3Å; K11-M93 WeakPolarHBondContact O-CB 3.29Å; K11-M93 PolarHBondContact O-N 3.38Å; K11-G94 PolarHBondContact O-N 2.88Å |
| 12 | F | 96.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 149.1 | 169.4 | -57.5 | -21.6 | 0 | 0 | 0 | 111 | I10 L70 Q71 L72 W73 G94 I174 L177 L178 I181 | I10-F12 HydrophobicContact CG2-CD1 3.9Å; I10-F12 HydrophobicContact CG2-CE1 3.2Å; I10-F12 HydrophobicContact CG2-CZ 3.72Å; F12-L70 HydrophobicContact CD2-CD2 4.17Å; F12-L70 HydrophobicContact CE1-CD2 4.41Å; F12-L70 HydrophobicContact CE2-CD2 3.58Å; F12-L70 HydrophobicContact CZ-CD2 3.7Å; F12-Q71 PolarHBondContact N-O 2.98Å; F12-L72 HydrophobicContact CB-CD2 4.08Å; F12-L72 HydrophobicContact CD2-CD2 3.71Å; F12-L72 HydrophobicContact CG-CD2 4.29Å; F12-W73 WeakPolarHBondContact O-CB 3.43Å; F12-W73 PolarHBondContact O-N 3.28Å; F12-G94 VanDerWaalsContact CA-O 3.31Å; F12-G94 WeakPolarHBondContact CA-O 3.25Å; F12-I174 HydrophobicContact CD2-CG2 4.14Å; F12-I174 HydrophobicContact CE2-CG2 3.87Å; F12-L177 HydrophobicContact CB-CD2 4.26Å; F12-L177 HydrophobicContact CD1-CD2 3.92Å; F12-L177 HydrophobicContact CD1-CG 4.23Å; F12-L177 HydrophobicContact CD2-CD2 3.85Å; F12-L177 HydrophobicContact CD2-CG 4.43Å; F12-L177 HydrophobicContact CE1-CD2 4.25Å; F12-L177 HydrophobicContact CE1-CG 4.07Å; F12-L177 HydrophobicContact CE2-CB 4.41Å; F12-L177 HydrophobicContact CE2-CD2 4.14Å; F12-L177 HydrophobicContact CE2-CG 4.24Å; F12-L177 HydrophobicContact CG-CD2 3.75Å; F12-L177 HydrophobicContact CG-CG 4.44Å; F12-L177 HydrophobicContact CZ-CB 4.46Å; F12-L177 HydrophobicContact CZ-CD2 4.36Å; F12-L177 HydrophobicContact CZ-CG 4.08Å; F12-L178 HydrophobicContact CE2-CB 4.37Å; F12-L178 HydrophobicContact CZ-CB 3.9Å; F12-L178 HydrophobicContact CZ-CD1 4.19Å; F12-I181 HydrophobicContact CD1-CD1 3.96Å; F12-I181 HydrophobicContact CE1-CD1 3.36Å; F12-I181 HydrophobicContact CZ-CD1 4.22Å |
| 13 | L | 94.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.2 | 176.4 | -170 | 68.8 | 0 | 0 | 0 | 110.3 | L15 W73 T75 F88 F89 A92 G94 F95 L96 | L13-L15 HydrophobicContact CD2-CD1 4.29Å; L13-L15 HydrophobicContact CD2-CD2 3.88Å; L13-L15 HydrophobicContact CD2-CG 4.22Å; L13-L15 HydrophobicContact CG-CD2 4.02Å; L13-L15 HydrophobicContact CG-CG 4.19Å; L13-W73 HydrophobicContact CD1-CB 3.37Å; L13-W73 HydrophobicContact CD1-CG 4.35Å; L13-T75 HydrophobicContact CD1-CG2 3.38Å; L13-T75 HydrophobicContact CD2-CG2 4.35Å; L13-T75 HydrophobicContact CG-CG2 3.89Å; L13-F88 HydrophobicContact CD1-CB 4.43Å; L13-F88 HydrophobicContact CD2-CB 4.41Å; L13-F89 HydrophobicContact CD2-CD1 3.46Å; L13-F89 VanDerWaalsContact CD2-CD1 3.46Å; L13-F89 HydrophobicContact CD2-CE1 3.72Å; L13-A92 HydrophobicContact CB-CB 3.73Å; L13-A92 HydrophobicContact CD2-CB 4.35Å; L13-G94 PolarHBondContact N-O 3.35Å; L13-F95 HydrophobicContact CB-CD1 3.88Å; L13-F95 HydrophobicContact CB-CE1 4.09Å; L13-F95 HydrophobicContact CD2-CD1 4.14Å; L13-F95 HydrophobicContact CD2-CE1 3.85Å; L13-F95 HydrophobicContact CG-CD1 4.49Å; L13-F95 WeakPolarHBondContact O-CA 3.12Å; L13-L96 PolarHBondContact O-N 3.27Å |
| 14 | A | 95.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K22 L26 W73 T75 L96 | A14-K22 HydrophobicContact CB-CB 4.06Å; A14-K22 HydrophobicContact CB-CD 4.16Å; A14-K22 HydrophobicContact CB-CG 4.27Å; A14-L26 HydrophobicContact CB-CD1 3.91Å; A14-L26 HydrophobicContact CB-CG 4.31Å; A14-W73 PolarHBondContact N-O 2.99Å; A14-T75 WeakPolarHBondContact O-CG2 3.42Å; A14-T75 PolarHBondContact O-OG1 3.13Å; A14-L96 WeakPolarHBondContact CA-O 3.21Å |
| 15 | L | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 164.7 | -176 | -64.3 | 178.3 | 0 | 0 | 0 | 111.6 | L13 T75 T85 F89 F95 L96 L97 L98 W113 L117 | L13-L15 HydrophobicContact CD2-CD1 4.29Å; L13-L15 HydrophobicContact CD2-CD2 3.88Å; L13-L15 HydrophobicContact CD2-CG 4.22Å; L13-L15 HydrophobicContact CG-CD2 4.02Å; L13-L15 HydrophobicContact CG-CG 4.19Å; L15-T75 HydrophobicContact CD2-CG2 3.94Å; L15-T85 HydrophobicContact CD2-CG2 3.92Å; L15-F89 HydrophobicContact CD1-CE1 3.85Å; L15-F89 HydrophobicContact CD1-CZ 3.9Å; L15-F89 HydrophobicContact CD2-CE1 3.62Å; L15-F89 HydrophobicContact CD2-CZ 4.01Å; L15-F89 HydrophobicContact CG-CE1 4.4Å; L15-F95 HydrophobicContact CD1-CD1 3.66Å; L15-F95 HydrophobicContact CD1-CE1 4.31Å; L15-F95 HydrophobicContact CD1-CG 4.46Å; L15-F95 HydrophobicContact CG-CD1 4.48Å; L15-L96 PolarHBondContact N-O 2.55Å; L15-L97 HydrophobicContact CB-CD1 4.11Å; L15-L98 PolarHBondContact O-N 3.21Å; L15-W113 HydrophobicContact CB-CE3 4.49Å; L15-W113 HydrophobicContact CD2-CZ3 4.38Å; L15-L117 HydrophobicContact CD1-CD1 4.11Å; L15-L117 HydrophobicContact CD1-CD2 3.54Å; L15-L117 HydrophobicContact CD1-CG 4.02Å |
| 16 | G | 94.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 124.5 | 172.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K22 G77 L98 | G16-K22 PolarHBondContact O-NZ 2.75Å; G16-G77 WeakPolarHBondContact O-CA 3.41Å; G16-L98 WeakPolarHBondContact CA-O 3.46Å |
| 17 | D | 93.1 | Very high | 94.6 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | trans | -65.5 | 170.8 | -172.4 | -71.3 | 5.9 | 0 | 0 | 0 | 113.5 | V20 K22 G77 N109 W113 | D17-V20 HydrophobicContact CB-CG1 3.9Å; D17-V20 WeakPolarHBondContact O-CG2 3.42Å; D17-K22 PolarHBondContact O-NZ 3.44Å; D17-G77 CarbonylContact C-O 3.58Å; D17-N109 PolarHBondContact OD2-ND2 3.12Å; D17-W113 PolarHBondContact OD1-NE1 2.82Å | ||
| 18 | S | 91.4 | Very high | 94.9 | Very high | 49 Ų | 49 | 25.1 Ų | 25.1 | 34% | 0.343 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 142.9 | 170.4 | -165.1 | 0 | 0 | 0 | 0 | 110.4 | V20 G77 | S18-V20 VanDerWaalsContact C-N 3.3Å; S18-V20 PolarHBondContact O-N 3.04Å; S18-G77 PolarHBondContact N-O 2.97Å |
| 19 | G | 92.8 | Very high | 95.1 | Very high | 29 Ų | 29 | 21.2 Ų | 21.2 | 30% | 0.299 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | -8.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G21 K134 | G19-G21 PolarHBondContact O-N 3.04Å; G19-K134 WeakPolarHBondContact O-CE 3.39Å; G19-K134 PolarHBondContact O-NZ 3.28Å; G19-K134 VanDerWaalsContact O-NZ 3.14Å |
| 20 | V | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -72.1 | -8.4 | 180 | -50.1 | 0 | 0 | 0 | 0 | 114.4 | D17 S18 K22 L98 D100 N133 | D17-V20 HydrophobicContact CB-CG1 3.9Å; D17-V20 WeakPolarHBondContact O-CG2 3.42Å; S18-V20 VanDerWaalsContact C-N 3.3Å; S18-V20 PolarHBondContact O-N 3.04Å; V20-K22 HydrophobicContact CG2-CG 3.87Å; V20-L98 HydrophobicContact CB-CB 4.48Å; V20-L98 HydrophobicContact CG2-CB 3.68Å; V20-L98 HydrophobicContact CG2-CD2 4.42Å; V20-D100 HydrophobicContact CB-CB 4.1Å; V20-D100 HydrophobicContact CG1-CB 3.99Å; V20-N133 PolarHBondContact O-ND2 3.11Å |
| 21 | G | 95.8 | Very high | 95 | Very high | 15 Ų | 15 | 23 Ų | 23 | 16% | 0.155 | 13% | 0.134 | C | C | . | . | trans | 91.3 | 25.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G19 S24 L25 | G19-G21 PolarHBondContact O-N 3.04Å; G21-S24 PolarHBondContact O-N 3.36Å; G21-L25 WeakPolarHBondContact O-CB 3.13Å; G21-L25 PolarHBondContact O-N 2.91Å | ||
| 22 | K | 95.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 23 Ų | 23 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -49.9 | -58.5 | 174.8 | -62.6 | -173 | -65.5 | -76.4 | 0 | 112.9 | A14 G16 D17 V20 S24 L25 L26 D74 T75 G77 L98 | A14-K22 HydrophobicContact CB-CB 4.06Å; A14-K22 HydrophobicContact CB-CD 4.16Å; A14-K22 HydrophobicContact CB-CG 4.27Å; G16-K22 PolarHBondContact O-NZ 2.75Å; D17-K22 PolarHBondContact O-NZ 3.44Å; V20-K22 HydrophobicContact CG2-CG 3.87Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 2.89Å; K22-L25 PolarHBondContact O-N 3.09Å; K22-L25 VanDerWaalsContact O-N 3.14Å; K22-L26 WeakPolarHBondContact O-CG 3.17Å; K22-L26 PolarHBondContact O-N 2.74Å; K22-D74 VanDerWaalsContact CB-OD1 3.24Å; K22-D74 WeakPolarHBondContact CB-OD1 3.44Å; K22-T75 WeakPolarHBondContact CE-O 3.5Å; K22-G77 VanDerWaalsContact NZ-CA 3.27Å; K22-L98 HydrophobicContact CB-CD2 4.34Å; K22-L98 HydrophobicContact CG-CB 4.35Å; K22-L98 HydrophobicContact CG-CD1 4.33Å; K22-L98 HydrophobicContact CG-CD2 3.95Å; K22-L98 HydrophobicContact CG-CG 4.45Å |
| 23 | T | 94.7 | Very high | 94.5 | Very high | 48 Ų | 48 | 28.3 Ų | 28.3 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -54 | -44.9 | 176.9 | -34.7 | 0 | 0 | 0 | 0 | 111.9 | L26 Y27 T41 D74 | T23-L26 PolarHBondContact O-N 3.38Å; T23-Y27 VanDerWaalsContact O-CB 3.28Å; T23-Y27 WeakPolarHBondContact O-CB 3.25Å; T23-Y27 PolarHBondContact O-N 3.27Å; T23-T41 PolarHBondContact OG1-OG1 2.81Å; T23-D74 WeakPolarHBondContact CB-OD2 3.36Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.43Å; T23-D74 PolarHBondContact N-OD1 3.28Å; T23-D74 PolarHBondContact OG1-OD2 2.71Å |
| 24 | S | 95.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 24% | 0.238 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 179.3 | -51 | 0 | 0 | 0 | 0 | 112.3 | G21 K22 Y27 Q28 | G21-S24 PolarHBondContact O-N 3.36Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 2.89Å; S24-Y27 PolarHBondContact O-N 3.39Å; S24-Q28 VanDerWaalsContact O-CB 3.26Å; S24-Q28 WeakPolarHBondContact O-CB 3.28Å; S24-Q28 PolarHBondContact O-N 2.91Å |
| 25 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | 177.6 | -174.4 | 152.6 | 0 | 0 | 0 | 110.8 | G21 K22 Y27 Q28 Y29 L98 T162 A164 V170 I174 | G21-L25 WeakPolarHBondContact O-CB 3.13Å; G21-L25 PolarHBondContact O-N 2.91Å; K22-L25 PolarHBondContact O-N 3.09Å; K22-L25 VanDerWaalsContact O-N 3.14Å; L25-Y27 PolarHBondContact O-N 3.32Å; L25-Q28 PolarHBondContact O-N 3.42Å; L25-Y29 PolarHBondContact O-N 3.38Å; L25-L98 HydrophobicContact CB-CD2 4.17Å; L25-L98 HydrophobicContact CD1-CD2 3.88Å; L25-L98 HydrophobicContact CD1-CG 4.32Å; L25-T162 HydrophobicContact CD1-CG2 4.45Å; L25-A164 HydrophobicContact CB-CB 4.33Å; L25-V170 HydrophobicContact CD2-CG1 4.19Å; L25-V170 HydrophobicContact CG-CG1 4.09Å; L25-V170 HydrophobicContact CG-CG2 4.29Å; L25-I174 HydrophobicContact CD2-CD1 3.94Å |
| 26 | L | 96.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.9 | -64.1 | -174.6 | 0 | 0 | 0 | 111.6 | A14 K22 T23 Y29 T30 L72 D74 L96 | A14-L26 HydrophobicContact CB-CD1 3.91Å; A14-L26 HydrophobicContact CB-CG 4.31Å; K22-L26 WeakPolarHBondContact O-CG 3.17Å; K22-L26 PolarHBondContact O-N 2.74Å; T23-L26 PolarHBondContact O-N 3.38Å; L26-Y29 PolarHBondContact O-N 3.45Å; L26-T30 WeakPolarHBondContact O-CG2 3.46Å; L26-T30 PolarHBondContact O-N 3.29Å; L26-T30 PolarHBondContact O-OG1 3.36Å; L26-L72 HydrophobicContact CD1-CB 4.27Å; L26-L72 HydrophobicContact CD2-CB 4.11Å; L26-L72 HydrophobicContact CD2-CD1 4.44Å; L26-D74 HydrophobicContact CD1-CB 3.94Å; L26-L96 HydrophobicContact CD2-CD1 3.91Å |
| 27 | Y | 94.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 177.3 | -162.2 | -133.6 | 0 | 0 | 0 | 112.6 | T23 S24 L25 Y29 T30 D31 K33 | T23-Y27 VanDerWaalsContact O-CB 3.28Å; T23-Y27 WeakPolarHBondContact O-CB 3.25Å; T23-Y27 PolarHBondContact O-N 3.27Å; S24-Y27 PolarHBondContact O-N 3.39Å; L25-Y27 PolarHBondContact O-N 3.32Å; Y27-Y29 VanDerWaalsContact C-N 3.3Å; Y27-Y29 PolarHBondContact O-N 3.16Å; Y27-T30 PolarHBondContact O-N 2.86Å; Y27-T30 PolarHBondContact O-OG1 3.06Å; Y27-D31 HydrophobicContact CD2-CB 3.88Å; Y27-D31 WeakPolarHBondContact CD2-OD2 3.42Å; Y27-D31 HydrophobicContact CE2-CB 3.71Å; Y27-D31 WeakPolarHBondContact CE2-OD2 3.29Å; Y27-D31 WeakPolarHBondContact O-CB 3.29Å; Y27-D31 PolarHBondContact O-N 3.27Å; Y27-K33 HydrophobicContact CD1-CB 4.28Å; Y27-K33 VanDerWaalsContact CD1-O 3.24Å; Y27-K33 WeakPolarHBondContact CD1-O 3.29Å; Y27-K33 HydrophobicContact CE1-CB 3.95Å |
| 28 | Q | 96.8 | Very high | 91.6 | Very high | 31 Ų | 31 | 54 Ų | 54 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 173.6 | -175.9 | 60.6 | 12.8 | 0 | 0 | 111.5 | S24 L25 G32 K33 A164 V170 | S24-Q28 VanDerWaalsContact O-CB 3.26Å; S24-Q28 WeakPolarHBondContact O-CB 3.28Å; S24-Q28 PolarHBondContact O-N 2.91Å; L25-Q28 PolarHBondContact O-N 3.42Å; Q28-G32 VanDerWaalsContact O-CA 3.29Å; Q28-G32 WeakPolarHBondContact O-CA 3.38Å; Q28-G32 PolarHBondContact O-N 3.33Å; Q28-K33 VanDerWaalsContact OE1-N 3.14Å; Q28-K33 PolarHBondContact OE1-O 2.74Å; Q28-A164 WeakPolarHBondContact CG-O 3.02Å; Q28-V170 HydrophobicContact CB-CG1 4.48Å; Q28-V170 HydrophobicContact CG-CG1 4.47Å; Q28-V170 HydrophobicContact CG-CG2 4.3Å |
| 29 | Y | 97.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.8 | -41.1 | 174.5 | -176 | -110.3 | 0 | 0 | 0 | 113.4 | L25 L26 Y27 K49 L70 L72 V170 I174 D175 | L25-Y29 PolarHBondContact O-N 3.38Å; L26-Y29 PolarHBondContact O-N 3.45Å; Y27-Y29 VanDerWaalsContact C-N 3.3Å; Y27-Y29 PolarHBondContact O-N 3.16Å; Y29-K49 HydrophobicContact CD1-CD 3.67Å; Y29-K49 HydrophobicContact CE1-CD 3.34Å; Y29-K49 WeakPolarHBondContact O-CE 3.4Å; Y29-K49 PolarHBondContact O-NZ 3.1Å; Y29-L70 HydrophobicContact CE1-CD1 3.95Å; Y29-L72 HydrophobicContact CD1-CD1 3.68Å; Y29-L72 HydrophobicContact CE1-CD1 4.09Å; Y29-V170 HydrophobicContact CD2-CG1 4.48Å; Y29-I174 HydrophobicContact CD1-CD1 3.71Å; Y29-I174 HydrophobicContact CD1-CG2 4.3Å; Y29-I174 HydrophobicContact CD2-CB 4.32Å; Y29-I174 HydrophobicContact CD2-CD1 3.62Å; Y29-I174 HydrophobicContact CE1-CD1 4.23Å; Y29-I174 HydrophobicContact CE1-CG2 3.73Å; Y29-I174 HydrophobicContact CE2-CB 3.99Å; Y29-I174 HydrophobicContact CE2-CD1 4.15Å; Y29-I174 HydrophobicContact CE2-CG2 3.99Å; Y29-I174 HydrophobicContact CG-CD1 3.35Å; Y29-D175 PolarHBondContact OH-OD1 3.4Å |
| 30 | T | 95.6 | Very high | 90.3 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -81.8 | -47 | -175 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | L26 Y27 R47 K49 L72 | L26-T30 WeakPolarHBondContact O-CG2 3.46Å; L26-T30 PolarHBondContact O-N 3.29Å; L26-T30 PolarHBondContact O-OG1 3.36Å; Y27-T30 PolarHBondContact O-N 2.86Å; Y27-T30 PolarHBondContact O-OG1 3.06Å; T30-R47 HydrophobicContact CG2-CB 3.99Å; T30-R47 WeakPolarHBondContact OG1-CD 3.25Å; T30-K49 HydrophobicContact CG2-CB 4.33Å; T30-L72 HydrophobicContact CG2-CD1 3.71Å |
| 31 | D | 93.2 | Very high | 89.4 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -108 | -10 | -168.9 | -73.2 | -97.5 | 0 | 0 | 0 | 113.3 | Y27 K33 R47 | Y27-D31 HydrophobicContact CD2-CB 3.88Å; Y27-D31 WeakPolarHBondContact CD2-OD2 3.42Å; Y27-D31 HydrophobicContact CE2-CB 3.71Å; Y27-D31 WeakPolarHBondContact CE2-OD2 3.29Å; Y27-D31 WeakPolarHBondContact O-CB 3.29Å; Y27-D31 PolarHBondContact O-N 3.27Å; D31-K33 HydrophobicContact CB-CB 4.31Å; D31-K33 HydrophobicContact CB-CD 4.2Å; D31-K33 HydrophobicContact CB-CG 4.42Å; D31-K33 PolarHBondContact O-N 3.06Å; D31-R47 IonicContact OD2-NE 3.18Å |
| 32 | G | 91.9 | Very high | 88.5 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 65.1 | 24.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q28 | Q28-G32 VanDerWaalsContact O-CA 3.29Å; Q28-G32 WeakPolarHBondContact O-CA 3.38Å; Q28-G32 PolarHBondContact O-N 3.33Å |
| 33 | K | 89.5 | Confident | 87.5 | Confident | 113 Ų | 113 | 65.5 Ų | 65.5 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | trans | -126.4 | 136.1 | -172.2 | -70.2 | 168.1 | -164.4 | 155.8 | 0 | 111.8 | Y27 Q28 D31 | Y27-K33 HydrophobicContact CD1-CB 4.28Å; Y27-K33 VanDerWaalsContact CD1-O 3.24Å; Y27-K33 WeakPolarHBondContact CD1-O 3.29Å; Y27-K33 HydrophobicContact CE1-CB 3.95Å; Q28-K33 VanDerWaalsContact OE1-N 3.14Å; Q28-K33 PolarHBondContact OE1-O 2.74Å; D31-K33 HydrophobicContact CB-CB 4.31Å; D31-K33 HydrophobicContact CB-CD 4.2Å; D31-K33 HydrophobicContact CB-CG 4.42Å; D31-K33 PolarHBondContact O-N 3.06Å | ||
| 34 | F | 88.4 | Confident | 86.9 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | trans | -100.6 | 141 | 166.1 | -176.6 | -113.5 | 0 | 0 | 0 | 111.2 | A164 A165 | F34-A164 HydrophobicContact CD2-CB 4.33Å; F34-A164 VanDerWaalsContact CD2-O 3.29Å; F34-A164 WeakPolarHBondContact CD2-O 3.34Å; F34-A164 HydrophobicContact CE2-CB 4.42Å; F34-A165 HydrophobicContact CD1-CB 4.2Å; F34-A165 HydrophobicContact CD2-CB 4.32Å; F34-A165 HydrophobicContact CE1-CB 4.17Å; F34-A165 HydrophobicContact CE2-CB 4.29Å; F34-A165 HydrophobicContact CG-CB 4.27Å; F34-A165 HydrophobicContact CZ-CB 4.21Å | ||
| 35 | N | 85 | Confident | 86.5 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | trans | -119.7 | 118.6 | 167.9 | -178.8 | 4.9 | 0 | 0 | 0 | 108.4 | K37 | N35-K37 VanDerWaalsContact C-N 3.28Å; N35-K37 PolarHBondContact O-N 3.15Å; N35-K37 WeakPolarHBondContact OD1-CB 3.21Å; N35-K37 PolarHBondContact OD1-N 2.87Å | ||
| 36 | S | 79.7 | Confident | 86.1 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | trans | -75.2 | -14 | -179.3 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | F38 | S36-F38 PolarHBondContact O-N 2.99Š| ||
| 37 | K | 80.7 | Confident | 85.8 | Confident | 157 Ų | 157 | 75 Ų | 75 | 68% | 0.683 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -74.4 | 110.2 | 175.1 | -66.5 | -175.8 | 178.5 | -179.2 | 0 | 109.8 | N35 I39 | N35-K37 VanDerWaalsContact C-N 3.28Å; N35-K37 PolarHBondContact O-N 3.15Å; N35-K37 WeakPolarHBondContact OD1-CB 3.21Å; N35-K37 PolarHBondContact OD1-N 2.87Å; K37-I39 PolarHBondContact O-N 2.92Å |
| 38 | F | 74.2 | Confident | 85.8 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 61% | 0.605 | 40% | 0.401 | S | S | * | . | trans | -65 | 116.1 | 169.6 | -177.6 | -108.5 | 0 | 0 | 0 | 110.3 | S36 T40 | S36-F38 PolarHBondContact O-N 2.99Å; F38-T40 VanDerWaalsContact CE1-OG1 3.3Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.47Å | ||
| 39 | I | 78.1 | Confident | 85.8 | Confident | 125 Ų | 125 | 77.7 Ų | 77.7 | 64% | 0.641 | 41% | 0.407 | S | S | * | . | trans | -123.7 | 118.4 | 172 | -60.4 | 172.8 | 0 | 0 | 0 | 105.7 | K37 T41 | K37-I39 PolarHBondContact O-N 2.92Å; I39-T41 PolarHBondContact O-N 3.42Å | ||
| 40 | T | 80.1 | Confident | 85.7 | Confident | 63 Ų | 63 | 84 Ų | 84 | 39% | 0.387 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 121.9 | 179.2 | -49.7 | 0 | 0 | 0 | 0 | 110.2 | F38 V42 | F38-T40 VanDerWaalsContact CE1-OG1 3.3Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.47Å; T40-V42 PolarHBondContact O-N 3.26Å |
| 41 | T | 77.3 | Confident | 85.6 | Confident | 25 Ų | 25 | 83.9 Ų | 83.9 | 15% | 0.153 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 125 | 169.6 | -49.4 | 0 | 0 | 0 | 0 | 109.8 | T23 I39 D74 A76 | T23-T41 PolarHBondContact OG1-OG1 2.81Å; I39-T41 PolarHBondContact O-N 3.42Å; T41-D74 PolarHBondContact OG1-OD2 2.85Å; T41-A76 VanDerWaalsContact O-CB 3.26Å; T41-A76 WeakPolarHBondContact O-CB 3.35Å |
| 42 | V | 76.3 | Confident | 85.6 | Confident | 119 Ų | 119 | 84.6 Ų | 84.6 | 72% | 0.721 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -101.7 | 117.8 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | T40 I44 F81 | T40-V42 PolarHBondContact O-N 3.26Å; V42-I44 PolarHBondContact O-N 2.92Å; V42-F81 HydrophobicContact CG1-CZ 4.21Å |
| 43 | G | 75.3 | Confident | 85.6 | Confident | 14 Ų | 14 | 83 Ų | 83 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | S | Bend | trans | 73.4 | -123.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A76 | G43-A76 WeakPolarHBondContact O-CB 3.29Å; G43-A76 PolarHBondContact O-N 2.78Å |
| 44 | I | 81.7 | Confident | 85.6 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 22% | 0.215 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 136.9 | -173.4 | -68.2 | 172.4 | 0 | 0 | 0 | 108.4 | V42 W73 D74 L84 F88 | V42-I44 PolarHBondContact O-N 2.92Å; I44-W73 HydrophobicContact CG2-CE3 3.67Å; I44-W73 HydrophobicContact CG2-CZ3 4.1Å; I44-D74 WeakPolarHBondContact CA-O 3.5Å; I44-L84 HydrophobicContact CD1-CD2 4.42Å; I44-L84 HydrophobicContact CD1-CG 4.12Å; I44-F88 HydrophobicContact CD1-CD1 4.33Å; I44-F88 HydrophobicContact CD1-CD2 3.24Å; I44-F88 HydrophobicContact CD1-CE1 4.33Å; I44-F88 HydrophobicContact CD1-CE2 3.26Å; I44-F88 HydrophobicContact CD1-CG 3.83Å; I44-F88 HydrophobicContact CD1-CZ 3.84Å |
| 45 | D | 87.1 | Confident | 85 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 165.1 | 173.5 | -171.4 | 20.3 | 0 | 0 | 0 | 108.5 | R47 D74 | D45-R47 IonicContact OD2-NH1 3.62Å; D45-D74 HydrophobicContact CB-CB 4.48Å; D45-D74 PolarHBondContact N-O 3.38Å; D45-D74 VanDerWaalsContact N-O 3.08Å; D45-D74 PolarHBondContact O-N 3.45Å |
| 46 | F | 87.8 | Confident | 84.3 | Confident | 94 Ų | 94 | 85.5 Ų | 85.5 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151.5 | 171.4 | 75.7 | -81.8 | 0 | 0 | 0 | 112.2 | E48 L72 W73 | F46-E48 HydrophobicContact CD2-CG 4.1Å; F46-E48 HydrophobicContact CE2-CG 3.95Å; F46-L72 CarbonylContact C-O 3.59Å; F46-L72 VanDerWaalsContact CA-O 3.32Å; F46-L72 WeakPolarHBondContact CA-O 3.48Å; F46-W73 HydrophobicContact CB-CD2 3.95Å; F46-W73 HydrophobicContact CB-CE3 4.02Å; F46-W73 HydrophobicContact CB-CG 4.23Å; F46-W73 HydrophobicContact CB-CZ3 4.49Å; F46-W73 HydrophobicContact CD1-CH2 4.46Å; F46-W73 HydrophobicContact CD1-CZ3 4.38Å |
| 47 | R | 91.9 | Very high | 83.4 | Confident | 76 Ų | 76 | 81.9 Ų | 81.9 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.1 | 172.2 | -71.6 | -169 | 146.2 | 65.6 | 8.3 | 111.3 | T30 D31 D45 L72 | T30-R47 HydrophobicContact CG2-CB 3.99Å; T30-R47 WeakPolarHBondContact OG1-CD 3.25Å; D31-R47 IonicContact OD2-NE 3.18Å; D45-R47 IonicContact OD2-NH1 3.62Å; R47-L72 PolarHBondContact N-O 2.93Å; R47-L72 PolarHBondContact O-N 3.17Å |
| 48 | E | 95 | Very high | 82.3 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140 | 179.3 | -71.1 | -172.9 | 145.2 | 0 | 0 | 111.2 | F46 H69 L70 Q71 | F46-E48 HydrophobicContact CD2-CG 4.1Å; F46-E48 HydrophobicContact CE2-CG 3.95Å; E48-H69 IonicContact OE1-CE1 3.45Å; E48-H69 PolarHBondContact OE1-CE1 3.06Å; E48-H69 IonicContact OE1-NE2 2.74Å; E48-H69 IonicContact OE2-CE1 3.6Å; E48-H69 IonicContact OE2-NE2 3.38Å; E48-L70 VanDerWaalsContact CA-O 3.28Å; E48-L70 WeakPolarHBondContact CA-O 3.4Å; E48-Q71 HydrophobicContact CG-CG 3.92Å; E48-Q71 WeakPolarHBondContact OE1-CG 3.29Å; E48-Q71 PolarHBondContact OE1-NE2 3.38Å |
| 49 | K | 95.1 | Very high | 81.5 | Confident | 58 Ų | 58 | 80.9 Ų | 80.9 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 130.9 | 172.5 | -163 | -176.4 | -175.8 | 179.4 | 0 | 110.1 | Y29 T30 V51 L70 | Y29-K49 HydrophobicContact CD1-CD 3.67Å; Y29-K49 HydrophobicContact CE1-CD 3.34Å; Y29-K49 WeakPolarHBondContact O-CE 3.4Å; Y29-K49 PolarHBondContact O-NZ 3.1Å; T30-K49 HydrophobicContact CG2-CB 4.33Å; K49-V51 HydrophobicContact CD-CG1 3.96Å; K49-V51 HydrophobicContact CG-CG1 4.09Å; K49-L70 PolarHBondContact N-O 2.73Å; K49-L70 WeakPolarHBondContact O-CB 3.45Å; K49-L70 PolarHBondContact O-N 3.47Å |
| 50 | R | 95 | Very high | 80.4 | Confident | 142 Ų | 142 | 78.1 Ų | 78.1 | 54% | 0.536 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.4 | 168.8 | -67 | -177.9 | 177.3 | -169.5 | -3.8 | 109.2 | D5 I68 | D5-R50 IonicContact OD2-CZ 4Å; D5-R50 IonicContact OD2-NH1 2.95Å; D5-R50 PolarHBondContact OD2-NH1 2.83Å; D5-R50 IonicContact OD2-NH2 3.03Å; D5-R50 PolarHBondContact OD2-NH2 3.03Å; R50-I68 WeakPolarHBondContact CA-O 3.44Å |
| 51 | V | 94.8 | Very high | 79.2 | Confident | 27 Ų | 27 | 80.4 Ų | 80.4 | 16% | 0.164 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 164.5 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | K49 I68 L70 L178 | K49-V51 HydrophobicContact CD-CG1 3.96Å; K49-V51 HydrophobicContact CG-CG1 4.09Å; V51-I68 HydrophobicContact CG2-CB 3.78Å; V51-I68 HydrophobicContact CG2-CG1 4.31Å; V51-I68 HydrophobicContact CG2-CG2 4.43Å; V51-I68 PolarHBondContact N-O 3.13Å; V51-I68 PolarHBondContact O-N 3.15Å; V51-L70 HydrophobicContact CG1-CD1 4.05Å; V51-L70 HydrophobicContact CG2-CD1 3.75Å; V51-L70 HydrophobicContact CG2-CG 4.11Å; V51-L178 HydrophobicContact CG2-CD2 3.97Å |
| 52 | V | 93.4 | Very high | 78.4 | Confident | 86 Ų | 86 | 82.8 Ų | 82.8 | 52% | 0.521 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 105.7 | 174.8 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | R54 Q66 | V52-R54 HydrophobicContact CG1-CG 4.35Å; V52-Q66 CarbonylContact C-O 3.59Å; V52-Q66 WeakPolarHBondContact CA-O 3.48Å |
| 53 | Y | 91.8 | Very high | 77.9 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 9% | 0.086 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 139.5 | 172.3 | 177.6 | -106.5 | 0 | 0 | 0 | 109.5 | P55 G65 Q66 L178 D179 M182 | Y53-P55 HydrophobicContact CE1-CB 3.93Å; Y53-P55 HydrophobicContact CE1-CG 4.26Å; Y53-G65 CarbonylContact O-C 3.53Å; Y53-G65 WeakPolarHBondContact O-CA 3.44Å; Y53-Q66 PolarHBondContact N-O 3.31Å; Y53-Q66 PolarHBondContact O-N 2.84Å; Y53-L178 HydrophobicContact CD2-CD2 4.38Å; Y53-L178 HydrophobicContact CD2-CG 4.29Å; Y53-D179 HydrophobicContact CE2-CB 4.28Å; Y53-D179 PolarHBondContact OH-OD1 3.15Å; Y53-M182 HydrophobicContact CD1-CB 4.11Å; Y53-M182 HydrophobicContact CD1-CE 4.29Å; Y53-M182 HydrophobicContact CD1-CG 3.83Å; Y53-M182 HydrophobicContact CD2-CG 4.23Å; Y53-M182 HydrophobicContact CE1-CB 3.6Å; Y53-M182 HydrophobicContact CE1-CG 3.85Å; Y53-M182 HydrophobicContact CE2-CB 4.32Å; Y53-M182 HydrophobicContact CE2-CG 4.26Å; Y53-M182 HydrophobicContact CG-CG 4.02Å |
| 54 | R | 88.4 | Confident | 78 | Confident | 157 Ų | 157 | 88.1 Ų | 88.1 | 59% | 0.592 | 47% | 0.467 | S | S | * | . | trans | -133.2 | 107.3 | 176.2 | -66.6 | -175.8 | -177.5 | -127 | 2.7 | 107.7 | V52 N56 | V52-R54 HydrophobicContact CG1-CG 4.35Å; R54-N56 PolarHBondContact O-N 2.92Å | ||
| 55 | P | 77 | Confident | 78.2 | Confident | 25 Ų | 25 | 87 Ų | 87 | 16% | 0.162 | 47% | 0.467 | C | S | . | . | trans | -66.2 | 132.7 | 175.3 | 26.3 | -31.9 | 0 | 0 | 0 | 109.6 | Y53 G57 | Y53-P55 HydrophobicContact CE1-CB 3.93Å; Y53-P55 HydrophobicContact CE1-CG 4.26Å; P55-G57 PolarHBondContact O-N 2.97Å | ||
| 56 | N | 70 | Confident | 78.3 | Confident | 154 Ų | 154 | 85.3 Ų | 85.3 | 82% | 0.824 | 46% | 0.456 | S | S | * | . | B | Isolated β-bridge | trans | -77.1 | 100.6 | 168 | -70 | -34.2 | 0 | 0 | 0 | 107.8 | R54 | R54-N56 PolarHBondContact O-N 2.92Å |
| 57 | G | 60.4 | Low | 78.6 | Confident | 28 Ų | 28 | 85.1 Ų | 85.1 | 29% | 0.289 | 45% | 0.453 | S | S | . | . | trans | -64.7 | 151 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P55 D59 G60 | P55-G57 PolarHBondContact O-N 2.97Å; G57-D59 PolarHBondContact O-N 2.86Å; G57-D59 VanDerWaalsContact O-N 3.15Å; G57-G60 PolarHBondContact O-N 3.37Å; G57-G60 VanDerWaalsContact O-N 3.13Å | ||
| 58 | P | 57.5 | Low | 78.8 | Confident | 132 Ų | 132 | 81.5 Ų | 81.5 | 86% | 0.857 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27.3 | -179.4 | 24.2 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 59 | D | 58.4 | Low | 78.9 | Confident | 141 Ų | 141 | 78.1 Ų | 78.1 | 75% | 0.754 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 11.2 | -177.5 | -50.5 | -49.1 | 0 | 0 | 0 | 113.7 | G57 V61 | G57-D59 PolarHBondContact O-N 2.86Å; G57-D59 VanDerWaalsContact O-N 3.15Å; D59-V61 PolarHBondContact O-N 3.18Å |
| 60 | G | 55.1 | Low | 78.9 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 72.1 | -6.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G57 S62 | G57-G60 PolarHBondContact O-N 3.37Å; G57-G60 VanDerWaalsContact O-N 3.13Å; G60-S62 PolarHBondContact O-N 2.97Å |
| 61 | V | 54.6 | Low | 79 | Confident | 110 Ų | 110 | 70 Ų | 70 | 67% | 0.667 | 39% | 0.392 | S | S | * | . | trans | -74.3 | 113 | 171.2 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | D59 G63 | D59-V61 PolarHBondContact O-N 3.18Å; V61-G63 PolarHBondContact O-N 3.27Å | ||
| 62 | S | 59.9 | Low | 79 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 53% | 0.531 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 124 | 172.5 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | G60 | G60-S62 PolarHBondContact O-N 2.97Å |
| 63 | G | 64.9 | Low | 79 | Confident | 32 Ų | 32 | 67 Ų | 67 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -62 | 167.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V61 G65 | V61-G63 PolarHBondContact O-N 3.27Å; G63-G65 PolarHBondContact O-N 3.42Å |
| 64 | R | 77.9 | Confident | 79 | Confident | 212 Ų | 212 | 66.2 Ų | 66.2 | 80% | 0.8 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 125.8 | 171.7 | 178.4 | 178.8 | 173.5 | 178.2 | -2.7 | 108.9 | Q66 | R64-Q66 PolarHBondContact O-N 3.08Š|
| 65 | G | 85.4 | Confident | 78.9 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 128.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y53 G63 | Y53-G65 CarbonylContact O-C 3.53Å; Y53-G65 WeakPolarHBondContact O-CA 3.44Å; G63-G65 PolarHBondContact O-N 3.42Å |
| 66 | Q | 90.9 | Very high | 79.1 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.8 | -179.9 | -64.5 | 168.4 | -2.6 | 0 | 0 | 108.7 | Y8 V52 Y53 R64 I68 | Y8-Q66 HydrophobicContact CD2-CB 4.21Å; Y8-Q66 HydrophobicContact CE2-CB 4.03Å; Y8-Q66 HydrophobicContact CE2-CG 4Å; V52-Q66 CarbonylContact C-O 3.59Å; V52-Q66 WeakPolarHBondContact CA-O 3.48Å; Y53-Q66 PolarHBondContact N-O 3.31Å; Y53-Q66 PolarHBondContact O-N 2.84Å; R64-Q66 PolarHBondContact O-N 3.08Å; Q66-I68 HydrophobicContact CB-CD1 4.16Å; Q66-I68 PolarHBondContact O-N 3.46Å |
| 67 | R | 93.8 | Very high | 78.9 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 115.4 | 179.6 | -59.4 | 169.6 | -65.7 | 159.8 | 1.2 | 108.6 | D5 D7 Y8 | D5-R67 WeakPolarHBondContact O-CD 3.32Å; D5-R67 PolarHBondContact O-NH1 3.03Å; D7-R67 PolarHBondContact N-O 3.01Å; D7-R67 IonicContact OD1-CZ 2.75Å; D7-R67 IonicContact OD1-NE 2.91Å; D7-R67 PolarHBondContact OD1-NE 2.84Å; D7-R67 IonicContact OD1-NH2 3.44Å; D7-R67 PolarHBondContact OD1-NH2 3.36Å; D7-R67 VanDerWaalsContact OD2-CB 3.27Å; D7-R67 WeakPolarHBondContact OD2-CB 3.23Å; D7-R67 WeakPolarHBondContact OD2-CG 3.49Å; D7-R67 IonicContact OD2-CZ 3.52Å; D7-R67 PolarHBondContact OD2-N 3.05Å; D7-R67 IonicContact OD2-NE 2.74Å; D7-R67 PolarHBondContact OD2-NE 3.22Å; D7-R67 IonicContact OD2-NH2 2.71Å; Y8-R67 PolarHBondContact N-O 3.16Å; Y8-R67 VanDerWaalsContact N-O 3.15Å |
| 68 | I | 95.6 | Very high | 79.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.4 | -179.3 | -45.6 | -58.1 | 0 | 0 | 0 | 109 | Y8 I10 R50 V51 Q66 L70 L178 M182 | Y8-I68 HydrophobicContact CD2-CD1 3.76Å; Y8-I68 HydrophobicContact CG-CD1 4.18Å; Y8-I68 WeakPolarHBondContact O-CA 3.31Å; I10-I68 HydrophobicContact CB-CG2 3.91Å; I10-I68 HydrophobicContact CG1-CG2 3.54Å; R50-I68 WeakPolarHBondContact CA-O 3.44Å; V51-I68 HydrophobicContact CG2-CB 3.78Å; V51-I68 HydrophobicContact CG2-CG1 4.31Å; V51-I68 HydrophobicContact CG2-CG2 4.43Å; V51-I68 PolarHBondContact N-O 3.13Å; V51-I68 PolarHBondContact O-N 3.15Å; Q66-I68 HydrophobicContact CB-CD1 4.16Å; Q66-I68 PolarHBondContact O-N 3.46Å; I68-L70 HydrophobicContact CG2-CD2 4.06Å; I68-L70 HydrophobicContact CG2-CG 4.12Å; I68-L178 HydrophobicContact CG1-CD1 4.46Å; I68-L178 HydrophobicContact CG1-CD2 4.39Å; I68-L178 HydrophobicContact CG2-CD1 4.14Å; I68-M182 HydrophobicContact CD1-CE 3.75Å; I68-M182 HydrophobicContact CD1-SD 4.07Å |
| 69 | H | 96.3 | Very high | 79.4 | Confident | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 107.3 | 162.7 | -165.5 | -170.3 | 0 | 0 | 0 | 108 | Y6 Y8 L9 I10 E48 | Y6-H69 HydrophobicContact CD1-CB 3.77Å; Y6-H69 AromaticContact CD1-ND1 3.85Å; Y6-H69 HydrophobicContact CD2-CB 3.93Å; Y6-H69 HydrophobicContact CE1-CB 4.24Å; Y6-H69 AromaticContact CE1-ND1 3.64Å; Y6-H69 HydrophobicContact CE2-CB 4.36Å; Y6-H69 HydrophobicContact CG-CB 3.61Å; Y8-H69 PolarHBondContact O-N 3.21Å; L9-H69 HydrophobicContact CD1-CB 4.03Å; I10-H69 PolarHBondContact N-O 3.36Å; E48-H69 IonicContact OE1-CE1 3.45Å; E48-H69 PolarHBondContact OE1-CE1 3.06Å; E48-H69 IonicContact OE1-NE2 2.74Å; E48-H69 IonicContact OE2-CE1 3.6Å; E48-H69 IonicContact OE2-NE2 3.38Å |
| 70 | L | 96.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.2 | 175.2 | -70.6 | 170.9 | 0 | 0 | 0 | 109.7 | I10 F12 Y29 E48 K49 V51 I68 L72 L178 | I10-L70 HydrophobicContact CB-CD2 4.04Å; I10-L70 HydrophobicContact CG2-CD2 3.97Å; I10-L70 WeakPolarHBondContact O-CA 3.36Å; F12-L70 HydrophobicContact CD2-CD2 4.17Å; F12-L70 HydrophobicContact CE1-CD2 4.41Å; F12-L70 HydrophobicContact CE2-CD2 3.58Å; F12-L70 HydrophobicContact CZ-CD2 3.7Å; Y29-L70 HydrophobicContact CE1-CD1 3.95Å; E48-L70 VanDerWaalsContact CA-O 3.28Å; E48-L70 WeakPolarHBondContact CA-O 3.4Å; K49-L70 PolarHBondContact N-O 2.73Å; K49-L70 WeakPolarHBondContact O-CB 3.45Å; K49-L70 PolarHBondContact O-N 3.47Å; V51-L70 HydrophobicContact CG1-CD1 4.05Å; V51-L70 HydrophobicContact CG2-CD1 3.75Å; V51-L70 HydrophobicContact CG2-CG 4.11Å; I68-L70 HydrophobicContact CG2-CD2 4.06Å; I68-L70 HydrophobicContact CG2-CG 4.12Å; L70-L72 HydrophobicContact CB-CD2 4.32Å; L70-L72 HydrophobicContact CB-CG 4.38Å; L70-L178 HydrophobicContact CD2-CD1 4.32Å |
| 71 | Q | 96.4 | Very high | 80 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.2 | 162.4 | -81.2 | -179.7 | -12 | 0 | 0 | 109 | L9 I10 K11 F12 E48 | L9-Q71 HydrophobicContact CD1-CG 4.03Å; I10-Q71 PolarHBondContact O-N 2.87Å; K11-Q71 CarbonylContact C-O 3.51Å; K11-Q71 WeakPolarHBondContact CA-O 3.3Å; K11-Q71 HydrophobicContact CG-CB 4.14Å; F12-Q71 PolarHBondContact N-O 2.98Å; E48-Q71 HydrophobicContact CG-CG 3.92Å; E48-Q71 WeakPolarHBondContact OE1-CG 3.29Å; E48-Q71 PolarHBondContact OE1-NE2 3.38Å |
| 72 | L | 95.5 | Very high | 80.5 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 98.2 | -174.1 | -58.6 | 173.6 | 0 | 0 | 0 | 108.6 | F12 L26 Y29 T30 F46 R47 L70 | F12-L72 HydrophobicContact CB-CD2 4.08Å; F12-L72 HydrophobicContact CD2-CD2 3.71Å; F12-L72 HydrophobicContact CG-CD2 4.29Å; L26-L72 HydrophobicContact CD1-CB 4.27Å; L26-L72 HydrophobicContact CD2-CB 4.11Å; L26-L72 HydrophobicContact CD2-CD1 4.44Å; Y29-L72 HydrophobicContact CD1-CD1 3.68Å; Y29-L72 HydrophobicContact CE1-CD1 4.09Å; T30-L72 HydrophobicContact CG2-CD1 3.71Å; F46-L72 CarbonylContact C-O 3.59Å; F46-L72 VanDerWaalsContact CA-O 3.32Å; F46-L72 WeakPolarHBondContact CA-O 3.48Å; R47-L72 PolarHBondContact N-O 2.93Å; R47-L72 PolarHBondContact O-N 3.17Å; L70-L72 HydrophobicContact CB-CD2 4.32Å; L70-L72 HydrophobicContact CB-CG 4.38Å |
| 73 | W | 93.8 | Very high | 80.8 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 19% | 0.189 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122 | -176 | -66.1 | 79.6 | 0 | 0 | 0 | 110.5 | F12 L13 A14 I44 F46 F88 | F12-W73 WeakPolarHBondContact O-CB 3.43Å; F12-W73 PolarHBondContact O-N 3.28Å; L13-W73 HydrophobicContact CD1-CB 3.37Å; L13-W73 HydrophobicContact CD1-CG 4.35Å; A14-W73 PolarHBondContact N-O 2.99Å; I44-W73 HydrophobicContact CG2-CE3 3.67Å; I44-W73 HydrophobicContact CG2-CZ3 4.1Å; F46-W73 HydrophobicContact CB-CD2 3.95Å; F46-W73 HydrophobicContact CB-CE3 4.02Å; F46-W73 HydrophobicContact CB-CG 4.23Å; F46-W73 HydrophobicContact CB-CZ3 4.49Å; F46-W73 HydrophobicContact CD1-CH2 4.46Å; F46-W73 HydrophobicContact CD1-CZ3 4.38Å; W73-F88 AromaticContact CE3-CD1 3.92Å; W73-F88 HydrophobicContact CE3-CD1 3.92Å; W73-F88 HydrophobicContact CE3-CE1 4.05Å; W73-F88 HydrophobicContact CH2-CD1 4.43Å; W73-F88 HydrophobicContact CH2-CE1 4.12Å; W73-F88 AromaticContact CZ3-CD1 3.83Å; W73-F88 HydrophobicContact CZ3-CD1 3.83Å; W73-F88 AromaticContact CZ3-CE1 3.52Å; W73-F88 HydrophobicContact CZ3-CE1 3.52Å |
| 74 | D | 91.3 | Very high | 80.9 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.1 | 173.5 | -170.6 | 37.5 | 0 | 0 | 0 | 110.1 | K22 T23 L26 T41 I44 D45 | K22-D74 VanDerWaalsContact CB-OD1 3.24Å; K22-D74 WeakPolarHBondContact CB-OD1 3.44Å; T23-D74 WeakPolarHBondContact CB-OD2 3.36Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.43Å; T23-D74 PolarHBondContact N-OD1 3.28Å; T23-D74 PolarHBondContact OG1-OD2 2.71Å; L26-D74 HydrophobicContact CD1-CB 3.94Å; T41-D74 PolarHBondContact OG1-OD2 2.85Å; I44-D74 WeakPolarHBondContact CA-O 3.5Å; D45-D74 HydrophobicContact CB-CB 4.48Å; D45-D74 PolarHBondContact N-O 3.38Å; D45-D74 VanDerWaalsContact N-O 3.08Å; D45-D74 PolarHBondContact O-N 3.45Å |
| 75 | T | 85.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.3 | -179.6 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | L13 A14 L15 K22 G77 T85 | L13-T75 HydrophobicContact CD1-CG2 3.38Å; L13-T75 HydrophobicContact CD2-CG2 4.35Å; L13-T75 HydrophobicContact CG-CG2 3.89Å; A14-T75 WeakPolarHBondContact O-CG2 3.42Å; A14-T75 PolarHBondContact O-OG1 3.13Å; L15-T75 HydrophobicContact CD2-CG2 3.94Å; K22-T75 WeakPolarHBondContact CE-O 3.5Å; T75-G77 PolarHBondContact O-N 3.43Å; T75-G77 VanDerWaalsContact O-N 3.12Å; T75-T85 HydrophobicContact CG2-CG2 3.93Å |
| 76 | A | 80.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | trans | -60.5 | 116.8 | 164 | 0 | 0 | 0 | 0 | 0 | 110 | T41 G43 Q78 F81 | T41-A76 VanDerWaalsContact O-CB 3.26Å; T41-A76 WeakPolarHBondContact O-CB 3.35Å; G43-A76 WeakPolarHBondContact O-CB 3.29Å; G43-A76 PolarHBondContact O-N 2.78Å; A76-Q78 PolarHBondContact O-N 3.44Å; A76-Q78 VanDerWaalsContact O-N 3.12Å; A76-F81 HydrophobicContact CB-CB 3.95Å; A76-F81 HydrophobicContact CB-CD2 3.54Å; A76-F81 HydrophobicContact CB-CE2 4.33Å; A76-F81 HydrophobicContact CB-CG 3.97Å | ||
| 77 | G | 67.3 | Low | 79 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | trans | -75.4 | 10 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G16 D17 S18 K22 T75 | G16-G77 WeakPolarHBondContact O-CA 3.41Å; D17-G77 CarbonylContact C-O 3.58Å; S18-G77 PolarHBondContact N-O 2.97Å; K22-G77 VanDerWaalsContact NZ-CA 3.27Å; T75-G77 PolarHBondContact O-N 3.43Å; T75-G77 VanDerWaalsContact O-N 3.12Å | ||
| 78 | Q | 65.8 | Low | 78.2 | Confident | 45 Ų | 45 | 43.6 Ų | 43.6 | 21% | 0.21 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -91.7 | 135.8 | -176.8 | -165.3 | 175.1 | 34.3 | 0 | 0 | 110.6 | A76 R80 F81 | A76-Q78 PolarHBondContact O-N 3.44Å; A76-Q78 VanDerWaalsContact O-N 3.12Å; Q78-R80 PolarHBondContact O-N 3.23Å; Q78-R80 VanDerWaalsContact O-N 3.08Å; Q78-F81 HydrophobicContact CB-CD2 4.09Å; Q78-F81 PolarHBondContact O-N 3.19Å |
| 79 | E | 62.4 | Low | 77.6 | Confident | 119 Ų | 119 | 43.6 Ų | 43.6 | 56% | 0.556 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -50 | -36.1 | -178.8 | 64.4 | -61.4 | 140.8 | 0 | 0 | 113.6 | F81 R82 | E79-F81 PolarHBondContact O-N 3.2Å; E79-R82 PolarHBondContact O-N 3.21Å |
| 80 | R | 61.6 | Low | 76.9 | Confident | 170 Ų | 170 | 51 Ų | 51 | 64% | 0.642 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -62.8 | -18.6 | 177.9 | -60.3 | -173.8 | -61.1 | 171.3 | 2.9 | 114.8 | Q78 | Q78-R80 PolarHBondContact O-N 3.23Å; Q78-R80 VanDerWaalsContact O-N 3.08Å |
| 81 | F | 63.5 | Low | 76.3 | Confident | 53 Ų | 53 | 56 Ų | 56 | 23% | 0.232 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -107.3 | 2 | 179.5 | -61.1 | -65.5 | 0 | 0 | 0 | 113.7 | V42 A76 Q78 E79 S83 L84 T85 | V42-F81 HydrophobicContact CG1-CZ 4.21Å; A76-F81 HydrophobicContact CB-CB 3.95Å; A76-F81 HydrophobicContact CB-CD2 3.54Å; A76-F81 HydrophobicContact CB-CE2 4.33Å; A76-F81 HydrophobicContact CB-CG 3.97Å; Q78-F81 HydrophobicContact CB-CD2 4.09Å; Q78-F81 PolarHBondContact O-N 3.19Å; E79-F81 PolarHBondContact O-N 3.2Å; F81-S83 VanDerWaalsContact C-N 3.25Å; F81-S83 PolarHBondContact O-N 2.89Å; F81-S83 VanDerWaalsContact O-N 3.15Å; F81-L84 WeakPolarHBondContact O-CB 3.45Å; F81-L84 PolarHBondContact O-N 3.14Å; F81-T85 PolarHBondContact O-N 2.86Å; F81-T85 PolarHBondContact O-OG1 3.48Å; F81-T85 VanDerWaalsContact O-OG1 3.1Å |
| 82 | R | 66.3 | Low | 76.1 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.2 | -36 | -176.3 | -73.3 | -178.8 | 99.9 | 132.2 | 14 | 113.8 | E79 T85 T86 W113 Q116 | E79-R82 PolarHBondContact O-N 3.21Å; R82-T85 WeakPolarHBondContact O-CB 3.46Å; R82-T85 PolarHBondContact O-N 3.23Å; R82-T86 PolarHBondContact O-N 3.48Å; R82-T86 VanDerWaalsContact O-N 3.07Å; R82-T86 PolarHBondContact O-OG1 3.02Å; R82-W113 HydrophobicContact CG-CH2 4.47Å; R82-Q116 VanDerWaalsContact CZ-OE1 3.31Å; R82-Q116 VanDerWaalsContact NE-OE1 3.08Å; R82-Q116 VanDerWaalsContact NH2-CD 3.26Å |
| 83 | S | 66.1 | Low | 76 | Confident | 101 Ų | 101 | 57.2 Ų | 57.2 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.5 | -30 | 178 | 50.8 | 0 | 0 | 0 | 0 | 114 | F81 T86 | F81-S83 VanDerWaalsContact C-N 3.25Å; F81-S83 PolarHBondContact O-N 2.89Å; F81-S83 VanDerWaalsContact O-N 3.15Å; S83-T86 PolarHBondContact O-OG1 3.48Å |
| 84 | L | 65.8 | Low | 76 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73 | -42.1 | 171 | -178.3 | 65.6 | 0 | 0 | 0 | 109.9 | I44 F81 T86 A87 F88 | I44-L84 HydrophobicContact CD1-CD2 4.42Å; I44-L84 HydrophobicContact CD1-CG 4.12Å; F81-L84 WeakPolarHBondContact O-CB 3.45Å; F81-L84 PolarHBondContact O-N 3.14Å; L84-T86 PolarHBondContact O-N 3.3Å; L84-A87 PolarHBondContact O-N 3.43Å; L84-F88 HydrophobicContact CD1-CE2 4.39Å; L84-F88 WeakPolarHBondContact O-CD2 3.46Å |
| 85 | T | 68.1 | Low | 76.3 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -37.2 | -178.5 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | L15 T75 F81 R82 A87 F88 F89 | L15-T85 HydrophobicContact CD2-CG2 3.92Å; T75-T85 HydrophobicContact CG2-CG2 3.93Å; F81-T85 PolarHBondContact O-N 2.86Å; F81-T85 PolarHBondContact O-OG1 3.48Å; F81-T85 VanDerWaalsContact O-OG1 3.1Å; R82-T85 WeakPolarHBondContact O-CB 3.46Å; R82-T85 PolarHBondContact O-N 3.23Å; T85-A87 VanDerWaalsContact C-N 3.27Å; T85-A87 PolarHBondContact O-N 2.96Å; T85-F88 PolarHBondContact O-N 2.79Å; T85-F89 HydrophobicContact CG2-CD1 4.45Å; T85-F89 HydrophobicContact CG2-CE1 3.45Å; T85-F89 VanDerWaalsContact CG2-CE1 3.45Å; T85-F89 HydrophobicContact CG2-CZ 3.94Å; T85-F89 WeakPolarHBondContact O-CD1 3.24Å; T85-F89 WeakPolarHBondContact O-CE1 3.26Å |
| 86 | T | 72.1 | Confident | 76.9 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 24% | 0.239 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -61.9 | -28.5 | 179.8 | 0.6 | 0 | 0 | 0 | 0 | 114.6 | R82 S83 L84 F88 F89 H120 | R82-T86 PolarHBondContact O-N 3.48Å; R82-T86 VanDerWaalsContact O-N 3.07Å; R82-T86 PolarHBondContact O-OG1 3.02Å; S83-T86 PolarHBondContact O-OG1 3.48Å; L84-T86 PolarHBondContact O-N 3.3Å; T86-F88 PolarHBondContact O-N 3.14Å; T86-F89 HydrophobicContact CG2-CD2 4.25Å; T86-F89 HydrophobicContact CG2-CE2 4.3Å; T86-F89 PolarHBondContact O-N 3.28Å; T86-H120 HydrophobicContact CG2-CB 3.84Å; T86-H120 WeakPolarHBondContact CG2-CD2 3.41Å |
| 87 | A | 73.9 | Confident | 77.7 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -63.1 | -33.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L84 T85 F89 | L84-A87 PolarHBondContact O-N 3.43Å; T85-A87 VanDerWaalsContact C-N 3.27Å; T85-A87 PolarHBondContact O-N 2.96Å; A87-F89 VanDerWaalsContact C-N 3.34Å; A87-F89 PolarHBondContact O-N 2.65Å |
| 88 | F | 78.3 | Confident | 79.1 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -83.4 | -9 | -175.7 | -65 | -99.1 | 0 | 0 | 0 | 113.2 | L13 I44 W73 L84 T85 T86 R90 D91 A92 | L13-F88 HydrophobicContact CD1-CB 4.43Å; L13-F88 HydrophobicContact CD2-CB 4.41Å; I44-F88 HydrophobicContact CD1-CD1 4.33Å; I44-F88 HydrophobicContact CD1-CD2 3.24Å; I44-F88 HydrophobicContact CD1-CE1 4.33Å; I44-F88 HydrophobicContact CD1-CE2 3.26Å; I44-F88 HydrophobicContact CD1-CG 3.83Å; I44-F88 HydrophobicContact CD1-CZ 3.84Å; W73-F88 AromaticContact CE3-CD1 3.92Å; W73-F88 HydrophobicContact CE3-CD1 3.92Å; W73-F88 HydrophobicContact CE3-CE1 4.05Å; W73-F88 HydrophobicContact CH2-CD1 4.43Å; W73-F88 HydrophobicContact CH2-CE1 4.12Å; W73-F88 AromaticContact CZ3-CD1 3.83Å; W73-F88 HydrophobicContact CZ3-CD1 3.83Å; W73-F88 AromaticContact CZ3-CE1 3.52Å; W73-F88 HydrophobicContact CZ3-CE1 3.52Å; L84-F88 HydrophobicContact CD1-CE2 4.39Å; L84-F88 WeakPolarHBondContact O-CD2 3.46Å; T85-F88 PolarHBondContact O-N 2.79Å; T86-F88 PolarHBondContact O-N 3.14Å; F88-R90 PolarHBondContact O-N 3.43Å; F88-D91 PolarHBondContact O-N 3.06Å; F88-A92 PolarHBondContact O-N 2.82Å |
| 89 | F | 81.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -68.7 | -24.4 | 179.6 | -70.6 | 12.6 | 0 | 0 | 0 | 112.3 | L13 L15 T85 T86 A87 W113 Q116 L117 H120 | L13-F89 HydrophobicContact CD2-CD1 3.46Å; L13-F89 VanDerWaalsContact CD2-CD1 3.46Å; L13-F89 HydrophobicContact CD2-CE1 3.72Å; L15-F89 HydrophobicContact CD1-CE1 3.85Å; L15-F89 HydrophobicContact CD1-CZ 3.9Å; L15-F89 HydrophobicContact CD2-CE1 3.62Å; L15-F89 HydrophobicContact CD2-CZ 4.01Å; L15-F89 HydrophobicContact CG-CE1 4.4Å; T85-F89 HydrophobicContact CG2-CD1 4.45Å; T85-F89 HydrophobicContact CG2-CE1 3.45Å; T85-F89 VanDerWaalsContact CG2-CE1 3.45Å; T85-F89 HydrophobicContact CG2-CZ 3.94Å; T85-F89 WeakPolarHBondContact O-CD1 3.24Å; T85-F89 WeakPolarHBondContact O-CE1 3.26Å; T86-F89 HydrophobicContact CG2-CD2 4.25Å; T86-F89 HydrophobicContact CG2-CE2 4.3Å; T86-F89 PolarHBondContact O-N 3.28Å; A87-F89 VanDerWaalsContact C-N 3.34Å; A87-F89 PolarHBondContact O-N 2.65Å; F89-W113 HydrophobicContact CZ-CZ3 4.5Å; F89-Q116 HydrophobicContact CE2-CB 4.25Å; F89-L117 HydrophobicContact CD2-CD2 3.96Å; F89-L117 HydrophobicContact CE2-CD2 4.08Å; F89-L117 HydrophobicContact CG-CD2 4.34Å; F89-H120 HydrophobicContact CB-CB 4.44Å; F89-H120 HydrophobicContact CD2-CB 3.88Å |
| 90 | R | 81.3 | Confident | 82.4 | Confident | 178 Ų | 178 | 46.7 Ų | 46.7 | 67% | 0.672 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -27.8 | 178.6 | -66 | -179.3 | 176.3 | 177.4 | -2.6 | 113.3 | F88 H120 | F88-R90 PolarHBondContact O-N 3.43Å; R90-H120 WeakPolarHBondContact CG-O 3.47Å |
| 91 | D | 84.6 | Confident | 84.2 | Confident | 103 Ų | 103 | 38.7 Ų | 38.7 | 55% | 0.551 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -13 | -177.9 | -72 | 0.8 | 0 | 0 | 0 | 112.8 | K11 F88 | K11-D91 VanDerWaalsContact CD-O 3.28Å; K11-D91 WeakPolarHBondContact CD-O 3.44Å; F88-D91 PolarHBondContact O-N 3.06Å |
| 92 | A | 91.3 | Very high | 85.8 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | trans | -84.7 | 134.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L13 F88 F95 Y122 | L13-A92 HydrophobicContact CB-CB 3.73Å; L13-A92 HydrophobicContact CD2-CB 4.35Å; F88-A92 PolarHBondContact O-N 2.82Å; A92-F95 HydrophobicContact CB-CD1 4.39Å; A92-F95 HydrophobicContact CB-CE1 3.61Å; A92-F95 HydrophobicContact CB-CZ 3.73Å; A92-Y122 WeakPolarHBondContact O-CD1 3.44Å; A92-Y122 WeakPolarHBondContact O-CE1 3.28Å | ||
| 93 | M | 93.4 | Very high | 87.4 | Confident | 53 Ų | 53 | 37.3 Ų | 37.3 | 26% | 0.261 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -90 | -25.1 | -179.5 | -46.7 | -169.8 | 79.9 | 0 | 0 | 112.1 | I10 K11 I181 R184 M185 | I10-M93 HydrophobicContact CD1-CE 4.48Å; I10-M93 HydrophobicContact CD1-SD 3.89Å; I10-M93 HydrophobicContact CG2-SD 4.4Å; K11-M93 HydrophobicContact CB-CG 4.3Å; K11-M93 WeakPolarHBondContact O-CB 3.29Å; K11-M93 PolarHBondContact O-N 3.38Å; M93-I181 HydrophobicContact CB-CD1 4.39Å; M93-I181 HydrophobicContact CB-CG2 4.44Å; M93-R184 PolarHBondContact O-NH2 3.41Å; M93-M185 HydrophobicContact CE-CE 3.25Å; M93-M185 HydrophobicContact SD-CE 4.13Å |
| 94 | G | 95.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 156.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K11 F12 L13 D127 | K11-G94 PolarHBondContact O-N 2.88Å; F12-G94 VanDerWaalsContact CA-O 3.31Å; F12-G94 WeakPolarHBondContact CA-O 3.25Å; L13-G94 PolarHBondContact N-O 3.35Å; G94-D127 WeakPolarHBondContact CA-O 3.37Å |
| 95 | F | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.5 | -174.9 | -56.2 | -86.7 | 0 | 0 | 0 | 111.7 | L13 L15 A92 L117 A121 P126 D127 I128 V129 | L13-F95 HydrophobicContact CB-CD1 3.88Å; L13-F95 HydrophobicContact CB-CE1 4.09Å; L13-F95 HydrophobicContact CD2-CD1 4.14Å; L13-F95 HydrophobicContact CD2-CE1 3.85Å; L13-F95 HydrophobicContact CG-CD1 4.49Å; L13-F95 WeakPolarHBondContact O-CA 3.12Å; L15-F95 HydrophobicContact CD1-CD1 3.66Å; L15-F95 HydrophobicContact CD1-CE1 4.31Å; L15-F95 HydrophobicContact CD1-CG 4.46Å; L15-F95 HydrophobicContact CG-CD1 4.48Å; A92-F95 HydrophobicContact CB-CD1 4.39Å; A92-F95 HydrophobicContact CB-CE1 3.61Å; A92-F95 HydrophobicContact CB-CZ 3.73Å; F95-L117 HydrophobicContact CB-CD1 4.05Å; F95-L117 HydrophobicContact CD1-CD1 4.42Å; F95-L117 HydrophobicContact CD1-CD2 3.4Å; F95-L117 HydrophobicContact CD2-CD1 4.43Å; F95-L117 HydrophobicContact CD2-CD2 3.99Å; F95-L117 HydrophobicContact CE1-CD2 3.4Å; F95-L117 VanDerWaalsContact CE1-CD2 3.4Å; F95-L117 HydrophobicContact CE2-CD2 4.03Å; F95-L117 HydrophobicContact CG-CD1 4.03Å; F95-L117 HydrophobicContact CG-CD2 3.69Å; F95-L117 HydrophobicContact CZ-CD2 3.73Å; F95-A121 HydrophobicContact CE2-CB 4.22Å; F95-A121 HydrophobicContact CZ-CB 4.15Å; F95-P126 HydrophobicContact CD2-CB 3.8Å; F95-P126 HydrophobicContact CD2-CG 4.35Å; F95-P126 HydrophobicContact CE2-CB 3.54Å; F95-P126 HydrophobicContact CE2-CG 4.25Å; F95-D127 PolarHBondContact N-O 3.01Å; F95-I128 HydrophobicContact CB-CG1 4.25Å; F95-I128 HydrophobicContact CD2-CG1 4.41Å; F95-I128 WeakPolarHBondContact O-CA 3.29Å; F95-V129 PolarHBondContact O-N 3.44Å |
| 96 | L | 97.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 103.5 | 166.4 | -64.3 | 164.5 | 0 | 0 | 0 | 106.5 | L13 A14 L15 L26 L98 V129 I174 L177 | L13-L96 PolarHBondContact O-N 3.27Å; A14-L96 WeakPolarHBondContact CA-O 3.21Å; L15-L96 PolarHBondContact N-O 2.55Å; L26-L96 HydrophobicContact CD2-CD1 3.91Å; L96-L98 HydrophobicContact CB-CD1 3.93Å; L96-L98 WeakPolarHBondContact O-CD1 3.07Å; L96-V129 HydrophobicContact CD2-CB 4.48Å; L96-I174 HydrophobicContact CD1-CD1 4.27Å; L96-I174 HydrophobicContact CD1-CG1 3.84Å; L96-I174 HydrophobicContact CD2-CG1 4.01Å; L96-L177 HydrophobicContact CD2-CB 4.5Å; L96-L177 HydrophobicContact CD2-CD2 3.75Å; L96-L177 HydrophobicContact CG-CD2 3.78Å |
| 97 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 107.4 | 179.8 | -179 | 51.6 | 0 | 0 | 0 | 109.3 | L15 V110 W113 I114 I128 V129 L130 C131 | L15-L97 HydrophobicContact CB-CD1 4.11Å; L97-V110 HydrophobicContact CD2-CG1 3.84Å; L97-V110 HydrophobicContact CG-CG1 4.41Å; L97-W113 HydrophobicContact CD1-CB 3.59Å; L97-W113 HydrophobicContact CD1-CG 3.95Å; L97-W113 HydrophobicContact CD2-CB 4.14Å; L97-I114 HydrophobicContact CD2-CD1 4.14Å; L97-I114 HydrophobicContact CD2-CG1 3.51Å; L97-I128 HydrophobicContact CB-CG2 3.92Å; L97-V129 PolarHBondContact N-O 3.26Å; L97-L130 HydrophobicContact CB-CD1 4.41Å; L97-L130 HydrophobicContact CD2-CD1 4.38Å; L97-L130 HydrophobicContact CG-CD1 4.12Å; L97-L130 WeakPolarHBondContact O-CA 3.26Å; L97-C131 PolarHBondContact O-N 2.76Å |
| 98 | L | 98.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 141.5 | -177.8 | -73.5 | 73.1 | 0 | 0 | 0 | 111.7 | L15 G16 V20 K22 L25 L96 C131 N133 | L15-L98 PolarHBondContact O-N 3.21Å; G16-L98 WeakPolarHBondContact CA-O 3.46Å; V20-L98 HydrophobicContact CB-CB 4.48Å; V20-L98 HydrophobicContact CG2-CB 3.68Å; V20-L98 HydrophobicContact CG2-CD2 4.42Å; K22-L98 HydrophobicContact CB-CD2 4.34Å; K22-L98 HydrophobicContact CG-CB 4.35Å; K22-L98 HydrophobicContact CG-CD1 4.33Å; K22-L98 HydrophobicContact CG-CD2 3.95Å; K22-L98 HydrophobicContact CG-CG 4.45Å; L25-L98 HydrophobicContact CB-CD2 4.17Å; L25-L98 HydrophobicContact CD1-CD2 3.88Å; L25-L98 HydrophobicContact CD1-CG 4.32Å; L96-L98 HydrophobicContact CB-CD1 3.93Å; L96-L98 WeakPolarHBondContact O-CD1 3.07Å; L98-C131 WeakPolarHBondContact CA-O 3.33Å; L98-C131 HydrophobicContact CD1-CB 4.36Å; L98-C131 HydrophobicContact CG-CB 3.94Å; L98-N133 HydrophobicContact CD2-CB 4.44Å |
| 99 | F | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 175.8 | 154.8 | 70.5 | -86.4 | 0 | 0 | 0 | 109.4 | L101 F107 V110 L130 C131 G132 N133 V143 A148 Y159 | F99-L101 HydrophobicContact CE2-CD2 3.86Å; F99-L101 HydrophobicContact CE2-CG 4.42Å; F99-L101 HydrophobicContact CZ-CD2 4.23Å; F99-F107 HydrophobicContact CB-CB 4.46Å; F99-F107 HydrophobicContact CD1-CD2 4.03Å; F99-F107 HydrophobicContact CD2-CB 3.69Å; F99-F107 AromaticContact CD2-CD2 3.88Å; F99-F107 HydrophobicContact CD2-CD2 3.88Å; F99-F107 HydrophobicContact CD2-CG 4.21Å; F99-F107 AromaticContact CE1-CD2 3.86Å; F99-F107 HydrophobicContact CE1-CD2 3.86Å; F99-F107 HydrophobicContact CE1-CE2 4.29Å; F99-F107 HydrophobicContact CE2-CB 4.12Å; F99-F107 AromaticContact CE2-CD2 3.71Å; F99-F107 HydrophobicContact CE2-CD2 3.71Å; F99-F107 HydrophobicContact CE2-CG 4.21Å; F99-F107 HydrophobicContact CG-CB 4.15Å; F99-F107 HydrophobicContact CG-CD2 4.03Å; F99-F107 AromaticContact CZ-CD2 3.7Å; F99-F107 HydrophobicContact CZ-CD2 3.7Å; F99-F107 HydrophobicContact CZ-CE2 4.16Å; F99-V110 HydrophobicContact CB-CG2 3.82Å; F99-V110 HydrophobicContact CD1-CG2 3.93Å; F99-V110 HydrophobicContact CG-CG2 4.14Å; F99-L130 HydrophobicContact CD1-CD1 3.97Å; F99-L130 HydrophobicContact CD1-CG 4.29Å; F99-L130 HydrophobicContact CE1-CD1 4.18Å; F99-L130 HydrophobicContact CE1-CD2 4.12Å; F99-L130 HydrophobicContact CE1-CG 3.99Å; F99-C131 PolarHBondContact N-O 2.89Å; F99-G132 VanDerWaalsContact CZ-CA 3.49Å; F99-N133 WeakPolarHBondContact O-CB 3.31Å; F99-N133 PolarHBondContact O-N 2.97Å; F99-V143 HydrophobicContact CE2-CB 4.18Å; F99-V143 HydrophobicContact CE2-CG1 3.87Å; F99-V143 HydrophobicContact CE2-CG2 4.27Å; F99-V143 HydrophobicContact CZ-CG1 4.39Å; F99-A148 HydrophobicContact CE1-CB 4.42Å; F99-A148 HydrophobicContact CZ-CB 3.79Å; F99-Y159 AromaticContact CE1-CE2 3.76Å; F99-Y159 HydrophobicContact CE1-CE2 3.76Å; F99-Y159 AromaticContact CZ-CE2 3.83Å; F99-Y159 HydrophobicContact CZ-CE2 3.83Å |
| 100 | D | 98.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.7 | -177.5 | 175.9 | 11.5 | 0 | 0 | 0 | 109.8 | V20 T102 N103 S106 K134 | V20-D100 HydrophobicContact CB-CB 4.1Å; V20-D100 HydrophobicContact CG1-CB 3.99Å; D100-T102 PolarHBondContact O-N 3.2Å; D100-T102 PolarHBondContact OD1-N 3.32Å; D100-T102 VanDerWaalsContact OD1-N 3.1Å; D100-T102 PolarHBondContact OD1-OG1 3.07Å; D100-N103 HydrophobicContact CB-CB 3.99Å; D100-N103 CarbonylContact O-C 3.53Å; D100-N103 PolarHBondContact O-N 3.3Å; D100-S106 PolarHBondContact N-OG 2.65Å; D100-S106 PolarHBondContact O-OG 3.14Å; D100-K134 VanDerWaalsContact CG-NZ 3.26Å; D100-K134 VanDerWaalsContact OD1-CD 3.23Å; D100-K134 WeakPolarHBondContact OD1-CD 3.29Å; D100-K134 WeakPolarHBondContact OD1-CE 3.33Å; D100-K134 IonicContact OD1-NZ 3.61Å; D100-K134 PolarHBondContact OD1-NZ 2.99Å; D100-K134 WeakPolarHBondContact OD2-CE 3.48Å; D100-K134 IonicContact OD2-NZ 3.68Å; D100-K134 PolarHBondContact OD2-NZ 2.94Å |
| 101 | L | 98.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.6 | -179.1 | -72.3 | 166.3 | 0 | 0 | 0 | 112.4 | F99 G132 N133 M142 V143 E161 | F99-L101 HydrophobicContact CE2-CD2 3.86Å; F99-L101 HydrophobicContact CE2-CG 4.42Å; F99-L101 HydrophobicContact CZ-CD2 4.23Å; L101-G132 WeakPolarHBondContact CD1-O 3.3Å; L101-N133 WeakPolarHBondContact CB-O 3.36Å; L101-N133 WeakPolarHBondContact CG-O 3.35Å; L101-N133 PolarHBondContact N-O 3.4Å; L101-M142 PolarHBondContact O-N 3.01Å; L101-V143 HydrophobicContact CD2-CB 4.38Å; L101-V143 PolarHBondContact O-N 2.67Å; L101-E161 HydrophobicContact CD1-CB 4.29Å; L101-E161 HydrophobicContact CD1-CG 4.11Å; L101-E161 HydrophobicContact CD2-CG 4.46Å |
| 102 | T | 98.4 | Very high | 96.7 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 18% | 0.184 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 10.9 | 175.6 | 80.5 | 0 | 0 | 0 | 0 | 113.3 | D100 L137 Q140 | D100-T102 PolarHBondContact O-N 3.2Å; D100-T102 PolarHBondContact OD1-N 3.32Å; D100-T102 VanDerWaalsContact OD1-N 3.1Å; D100-T102 PolarHBondContact OD1-OG1 3.07Å; T102-L137 HydrophobicContact CG2-CB 3.67Å; T102-L137 HydrophobicContact CG2-CD1 4.07Å; T102-Q140 VanDerWaalsContact CA-O 3.28Å; T102-Q140 WeakPolarHBondContact CA-O 3.45Å; T102-Q140 VanDerWaalsContact CB-O 3.25Å; T102-Q140 WeakPolarHBondContact CB-O 3.39Å; T102-Q140 HydrophobicContact CG2-CB 3.72Å; T102-Q140 WeakPolarHBondContact CG2-O 3.39Å |
| 103 | N | 98 | Very high | 96.7 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 33% | 0.332 | 16% | 0.164 | S | C | . | . | trans | -146.5 | 92.7 | -177.6 | -179.4 | -6.1 | 0 | 0 | 0 | 111.9 | D100 Q105 S106 | D100-N103 HydrophobicContact CB-CB 3.99Å; D100-N103 CarbonylContact O-C 3.53Å; D100-N103 PolarHBondContact O-N 3.3Å; N103-Q105 VanDerWaalsContact C-N 3.26Å; N103-Q105 PolarHBondContact O-N 2.96Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.46Å; N103-Q105 PolarHBondContact OD1-N 2.93Å; N103-S106 WeakPolarHBondContact O-CB 3.34Å; N103-S106 PolarHBondContact O-N 2.83Å; N103-S106 PolarHBondContact O-OG 3.21Å; N103-S106 PolarHBondContact OD1-N 2.68Å | ||
| 104 | E | 97.9 | Very high | 96.7 | Very high | 104 Ų | 104 | 31.5 Ų | 31.5 | 49% | 0.486 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -51.1 | -39.2 | 178.2 | -175.3 | -174.9 | -157.7 | 0 | 0 | 113.5 | S106 F107 L108 M142 | E104-S106 PolarHBondContact O-N 3.03Å; E104-F107 WeakPolarHBondContact O-CA 3.43Å; E104-F107 WeakPolarHBondContact O-CB 3.48Å; E104-F107 PolarHBondContact O-N 2.86Å; E104-L108 HydrophobicContact CG-CD1 4.38Å; E104-L108 HydrophobicContact CG-CG 4.41Å; E104-L108 WeakPolarHBondContact O-CG 3.37Å; E104-L108 PolarHBondContact O-N 2.95Å; E104-M142 HydrophobicContact CB-CB 4.36Å |
| 105 | Q | 97.5 | Very high | 96.4 | Very high | 106 Ų | 106 | 34.4 Ų | 34.4 | 50% | 0.495 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.5 | -33.4 | -179.2 | -176.7 | 57.6 | 78.3 | 0 | 0 | 112.1 | N103 F107 L108 N109 | N103-Q105 VanDerWaalsContact C-N 3.26Å; N103-Q105 PolarHBondContact O-N 2.96Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.46Å; N103-Q105 PolarHBondContact OD1-N 2.93Å; Q105-F107 VanDerWaalsContact C-N 3.33Å; Q105-L108 PolarHBondContact O-N 3.49Å; Q105-N109 PolarHBondContact NE2-OD1 3.5Å; Q105-N109 WeakPolarHBondContact O-CB 3.28Å; Q105-N109 PolarHBondContact O-N 3.02Å; Q105-N109 VanDerWaalsContact O-N 3.09Å; Q105-N109 PolarHBondContact O-ND2 3.05Å |
| 106 | S | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.5 | -33.6 | 175.4 | 77.3 | 0 | 0 | 0 | 0 | 112.3 | D100 N103 E104 N109 V110 | D100-S106 PolarHBondContact N-OG 2.65Å; D100-S106 PolarHBondContact O-OG 3.14Å; N103-S106 WeakPolarHBondContact O-CB 3.34Å; N103-S106 PolarHBondContact O-N 2.83Å; N103-S106 PolarHBondContact O-OG 3.21Å; N103-S106 PolarHBondContact OD1-N 2.68Å; E104-S106 PolarHBondContact O-N 3.03Å; S106-N109 PolarHBondContact O-N 3.2Å; S106-V110 PolarHBondContact O-N 3.45Å |
| 107 | F | 98.5 | Very high | 95.6 | Very high | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.4 | -44.7 | 174 | 175.4 | -114.3 | 0 | 0 | 0 | 111.8 | F99 E104 Q105 N109 V110 V143 E147 A148 L151 | F99-F107 HydrophobicContact CB-CB 4.46Å; F99-F107 HydrophobicContact CD1-CD2 4.03Å; F99-F107 HydrophobicContact CD2-CB 3.69Å; F99-F107 AromaticContact CD2-CD2 3.88Å; F99-F107 HydrophobicContact CD2-CD2 3.88Å; F99-F107 HydrophobicContact CD2-CG 4.21Å; F99-F107 AromaticContact CE1-CD2 3.86Å; F99-F107 HydrophobicContact CE1-CD2 3.86Å; F99-F107 HydrophobicContact CE1-CE2 4.29Å; F99-F107 HydrophobicContact CE2-CB 4.12Å; F99-F107 AromaticContact CE2-CD2 3.71Å; F99-F107 HydrophobicContact CE2-CD2 3.71Å; F99-F107 HydrophobicContact CE2-CG 4.21Å; F99-F107 HydrophobicContact CG-CB 4.15Å; F99-F107 HydrophobicContact CG-CD2 4.03Å; F99-F107 AromaticContact CZ-CD2 3.7Å; F99-F107 HydrophobicContact CZ-CD2 3.7Å; F99-F107 HydrophobicContact CZ-CE2 4.16Å; E104-F107 WeakPolarHBondContact O-CA 3.43Å; E104-F107 WeakPolarHBondContact O-CB 3.48Å; E104-F107 PolarHBondContact O-N 2.86Å; Q105-F107 VanDerWaalsContact C-N 3.33Å; F107-N109 PolarHBondContact O-N 3.03Å; F107-V110 HydrophobicContact CD2-CG2 4.4Å; F107-V110 WeakPolarHBondContact O-CB 3.42Å; F107-V110 VanDerWaalsContact O-CG2 3.28Å; F107-V110 WeakPolarHBondContact O-CG2 3.49Å; F107-V110 PolarHBondContact O-N 3.24Å; F107-V143 HydrophobicContact CB-CG1 4.27Å; F107-V143 HydrophobicContact CB-CG2 3.76Å; F107-V143 HydrophobicContact CD1-CG1 3.79Å; F107-V143 HydrophobicContact CD1-CG2 4.37Å; F107-V143 HydrophobicContact CD2-CG1 4.05Å; F107-V143 HydrophobicContact CE1-CG1 4.08Å; F107-V143 HydrophobicContact CE2-CG1 4.34Å; F107-V143 HydrophobicContact CG-CG1 3.77Å; F107-V143 HydrophobicContact CG-CG2 4.16Å; F107-V143 HydrophobicContact CZ-CG1 4.35Å; F107-E147 HydrophobicContact CE1-CB 4.39Å; F107-E147 HydrophobicContact CZ-CB 4.48Å; F107-E147 WeakPolarHBondContact CZ-O 3.28Å; F107-A148 HydrophobicContact CE2-CB 3.91Å; F107-A148 HydrophobicContact CZ-CB 4.31Å; F107-L151 HydrophobicContact CD2-CD2 4.28Å; F107-L151 HydrophobicContact CE2-CB 4.2Å; F107-L151 HydrophobicContact CE2-CD2 3.5Å; F107-L151 HydrophobicContact CE2-CG 4.46Å; F107-L151 HydrophobicContact CZ-CB 4.03Å; F107-L151 HydrophobicContact CZ-CD2 3.81Å; F107-L151 HydrophobicContact CZ-CG 4.45Å |
| 108 | L | 97.2 | Very high | 95.1 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 40% | 0.398 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58 | -35.7 | 174.1 | -64.9 | 176.8 | 0 | 0 | 0 | 112 | E104 Q105 V110 | E104-L108 HydrophobicContact CG-CD1 4.38Å; E104-L108 HydrophobicContact CG-CG 4.41Å; E104-L108 WeakPolarHBondContact O-CG 3.37Å; E104-L108 PolarHBondContact O-N 2.95Å; Q105-L108 PolarHBondContact O-N 3.49Å; L108-V110 VanDerWaalsContact C-N 3.3Å; L108-V110 PolarHBondContact O-N 3Å |
| 109 | N | 96 | Very high | 94.5 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14.3 | 177.5 | -77.3 | -26.2 | 0 | 0 | 0 | 114.7 | D17 Q105 S106 F107 R111 N112 W113 | D17-N109 PolarHBondContact OD2-ND2 3.12Å; Q105-N109 PolarHBondContact NE2-OD1 3.5Å; Q105-N109 WeakPolarHBondContact O-CB 3.28Å; Q105-N109 PolarHBondContact O-N 3.02Å; Q105-N109 VanDerWaalsContact O-N 3.09Å; Q105-N109 PolarHBondContact O-ND2 3.05Å; S106-N109 PolarHBondContact O-N 3.2Å; F107-N109 PolarHBondContact O-N 3.03Å; N109-R111 PolarHBondContact O-N 3.47Å; N109-N112 WeakPolarHBondContact O-CB 3.2Å; N109-N112 PolarHBondContact O-N 3.43Å; N109-N112 PolarHBondContact OD1-ND2 2.94Å; N109-W113 PolarHBondContact O-N 3.25Å; N109-W113 VanDerWaalsContact O-N 3.12Å |
| 110 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53 | -40.7 | 175 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L97 F99 S106 F107 L108 N112 W113 I114 L130 L151 | L97-V110 HydrophobicContact CD2-CG1 3.84Å; L97-V110 HydrophobicContact CG-CG1 4.41Å; F99-V110 HydrophobicContact CB-CG2 3.82Å; F99-V110 HydrophobicContact CD1-CG2 3.93Å; F99-V110 HydrophobicContact CG-CG2 4.14Å; S106-V110 PolarHBondContact O-N 3.45Å; F107-V110 HydrophobicContact CD2-CG2 4.4Å; F107-V110 WeakPolarHBondContact O-CB 3.42Å; F107-V110 VanDerWaalsContact O-CG2 3.28Å; F107-V110 WeakPolarHBondContact O-CG2 3.49Å; F107-V110 PolarHBondContact O-N 3.24Å; L108-V110 VanDerWaalsContact C-N 3.3Å; L108-V110 PolarHBondContact O-N 3Å; V110-N112 VanDerWaalsContact C-N 3.32Å; V110-N112 PolarHBondContact O-N 3.17Å; V110-W113 PolarHBondContact O-N 3.45Å; V110-W113 VanDerWaalsContact O-N 3.15Å; V110-I114 HydrophobicContact CG1-CD1 3.86Å; V110-I114 HydrophobicContact CG1-CG1 4.36Å; V110-I114 WeakPolarHBondContact O-CG1 3.38Å; V110-I114 PolarHBondContact O-N 3.34Å; V110-L130 HydrophobicContact CG1-CD1 3.64Å; V110-L130 HydrophobicContact CG2-CD1 4.14Å; V110-L151 HydrophobicContact CB-CD2 4.07Å; V110-L151 HydrophobicContact CG1-CD2 3.75Å |
| 111 | R | 94.6 | Very high | 93 | Very high | 124 Ų | 124 | 51.5 Ų | 51.5 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 178 | -62.6 | 179.6 | -177.1 | 167.2 | 4.7 | 111.9 | N109 W113 I114 S115 L151 | N109-R111 PolarHBondContact O-N 3.47Å; R111-W113 VanDerWaalsContact C-N 3.34Å; R111-I114 PolarHBondContact O-N 2.83Å; R111-S115 PolarHBondContact O-N 2.89Å; R111-S115 PolarHBondContact O-OG 3.5Å; R111-L151 HydrophobicContact CG-CD1 4.19Å |
| 112 | N | 92.6 | Very high | 92 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 177.8 | -63 | -33.3 | 0 | 0 | 0 | 111.7 | N109 V110 Q116 | N109-N112 WeakPolarHBondContact O-CB 3.2Å; N109-N112 PolarHBondContact O-N 3.43Å; N109-N112 PolarHBondContact OD1-ND2 2.94Å; V110-N112 VanDerWaalsContact C-N 3.32Å; V110-N112 PolarHBondContact O-N 3.17Å; N112-Q116 WeakPolarHBondContact O-CG 3.49Å; N112-Q116 PolarHBondContact O-N 3.46Å; N112-Q116 VanDerWaalsContact O-N 3.17Å |
| 113 | W | 92.2 | Very high | 91 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68 | -42.7 | 174.6 | -73.5 | 110.6 | 0 | 0 | 0 | 112.5 | L15 D17 R82 F89 L97 N109 V110 R111 Q116 L117 | L15-W113 HydrophobicContact CB-CE3 4.49Å; L15-W113 HydrophobicContact CD2-CZ3 4.38Å; D17-W113 PolarHBondContact OD1-NE1 2.82Å; R82-W113 HydrophobicContact CG-CH2 4.47Å; F89-W113 HydrophobicContact CZ-CZ3 4.5Å; L97-W113 HydrophobicContact CD1-CB 3.59Å; L97-W113 HydrophobicContact CD1-CG 3.95Å; L97-W113 HydrophobicContact CD2-CB 4.14Å; N109-W113 PolarHBondContact O-N 3.25Å; N109-W113 VanDerWaalsContact O-N 3.12Å; V110-W113 PolarHBondContact O-N 3.45Å; V110-W113 VanDerWaalsContact O-N 3.15Å; R111-W113 VanDerWaalsContact C-N 3.34Å; W113-Q116 PolarHBondContact O-N 3.22Å; W113-L117 PolarHBondContact O-N 3.02Å |
| 114 | I | 91.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.2 | -66.4 | 172.8 | 0 | 0 | 0 | 110.8 | L97 V110 R111 Q116 L117 Q118 Y155 I157 | L97-I114 HydrophobicContact CD2-CD1 4.14Å; L97-I114 HydrophobicContact CD2-CG1 3.51Å; V110-I114 HydrophobicContact CG1-CD1 3.86Å; V110-I114 HydrophobicContact CG1-CG1 4.36Å; V110-I114 WeakPolarHBondContact O-CG1 3.38Å; V110-I114 PolarHBondContact O-N 3.34Å; R111-I114 PolarHBondContact O-N 2.83Å; I114-Q116 VanDerWaalsContact C-N 3.28Å; I114-Q116 PolarHBondContact O-N 2.93Å; I114-L117 WeakPolarHBondContact O-CB 3.17Å; I114-L117 PolarHBondContact O-N 3.34Å; I114-L117 VanDerWaalsContact O-N 3.13Å; I114-Q118 HydrophobicContact CG2-CG 4.38Å; I114-Q118 WeakPolarHBondContact O-CG 3.21Å; I114-Q118 PolarHBondContact O-N 3.14Å; I114-Y155 HydrophobicContact CB-CE1 4.5Å; I114-Y155 HydrophobicContact CD1-CD1 4.21Å; I114-Y155 HydrophobicContact CD1-CD2 3.42Å; I114-Y155 VanDerWaalsContact CD1-CD2 3.42Å; I114-Y155 HydrophobicContact CD1-CE1 4.29Å; I114-Y155 HydrophobicContact CD1-CE2 3.51Å; I114-Y155 HydrophobicContact CD1-CG 3.8Å; I114-Y155 HydrophobicContact CG2-CD1 3.9Å; I114-Y155 HydrophobicContact CG2-CE1 3.74Å; I114-I157 HydrophobicContact CD1-CD1 4.19Å |
| 115 | S | 90 | Very high | 88.9 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 42% | 0.42 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -34.9 | 175.8 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | R111 M119 | R111-S115 PolarHBondContact O-N 2.89Å; R111-S115 PolarHBondContact O-OG 3.5Å; S115-M119 WeakPolarHBondContact O-CB 3.21Å; S115-M119 PolarHBondContact O-N 3.44Å; S115-M119 VanDerWaalsContact O-N 3.17Å |
| 116 | Q | 87.3 | Confident | 88.4 | Confident | 56 Ų | 56 | 58 Ų | 58 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.7 | -34 | 174.5 | -74.5 | -177.9 | 0.2 | 0 | 0 | 112.8 | R82 F89 N112 W113 I114 H120 | R82-Q116 VanDerWaalsContact CZ-OE1 3.31Å; R82-Q116 VanDerWaalsContact NE-OE1 3.08Å; R82-Q116 VanDerWaalsContact NH2-CD 3.26Å; F89-Q116 HydrophobicContact CE2-CB 4.25Å; N112-Q116 WeakPolarHBondContact O-CG 3.49Å; N112-Q116 PolarHBondContact O-N 3.46Å; N112-Q116 VanDerWaalsContact O-N 3.17Å; W113-Q116 PolarHBondContact O-N 3.22Å; I114-Q116 VanDerWaalsContact C-N 3.28Å; I114-Q116 PolarHBondContact O-N 2.93Å; Q116-H120 WeakPolarHBondContact O-CB 3.28Å; Q116-H120 PolarHBondContact O-CD2 3.35Å; Q116-H120 VanDerWaalsContact O-CD2 3.31Å; Q116-H120 PolarHBondContact O-N 3.45Å |
| 117 | L | 89.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -50.4 | 171.6 | -75.9 | 175.3 | 0 | 0 | 0 | 111.3 | L15 F89 F95 W113 I114 M119 H120 A121 P126 I128 | L15-L117 HydrophobicContact CD1-CD1 4.11Å; L15-L117 HydrophobicContact CD1-CD2 3.54Å; L15-L117 HydrophobicContact CD1-CG 4.02Å; F89-L117 HydrophobicContact CD2-CD2 3.96Å; F89-L117 HydrophobicContact CE2-CD2 4.08Å; F89-L117 HydrophobicContact CG-CD2 4.34Å; F95-L117 HydrophobicContact CB-CD1 4.05Å; F95-L117 HydrophobicContact CD1-CD1 4.42Å; F95-L117 HydrophobicContact CD1-CD2 3.4Å; F95-L117 HydrophobicContact CD2-CD1 4.43Å; F95-L117 HydrophobicContact CD2-CD2 3.99Å; F95-L117 HydrophobicContact CE1-CD2 3.4Å; F95-L117 VanDerWaalsContact CE1-CD2 3.4Å; F95-L117 HydrophobicContact CE2-CD2 4.03Å; F95-L117 HydrophobicContact CG-CD1 4.03Å; F95-L117 HydrophobicContact CG-CD2 3.69Å; F95-L117 HydrophobicContact CZ-CD2 3.73Å; W113-L117 PolarHBondContact O-N 3.02Å; I114-L117 WeakPolarHBondContact O-CB 3.17Å; I114-L117 PolarHBondContact O-N 3.34Å; I114-L117 VanDerWaalsContact O-N 3.13Å; L117-M119 PolarHBondContact O-N 2.84Å; L117-H120 PolarHBondContact O-N 2.87Å; L117-A121 WeakPolarHBondContact O-CB 3.33Å; L117-A121 PolarHBondContact O-N 3.49Å; L117-P126 HydrophobicContact CB-CG 4.43Å; L117-I128 HydrophobicContact CD1-CD1 3.72Å; L117-I128 HydrophobicContact CD1-CG1 4.06Å |
| 118 | Q | 87 | Confident | 88.2 | Confident | 94 Ų | 94 | 58.8 Ų | 58.8 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.6 | -30.5 | 179 | -69.5 | 175.6 | -41.4 | 0 | 0 | 113.2 | I114 | I114-Q118 HydrophobicContact CG2-CG 4.38Å; I114-Q118 WeakPolarHBondContact O-CG 3.21Å; I114-Q118 PolarHBondContact O-N 3.14Å |
| 119 | M | 85.6 | Confident | 88.3 | Confident | 142 Ų | 142 | 55.1 Ų | 55.1 | 70% | 0.7 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -83 | -23.1 | 179.5 | -167.9 | 180 | -69 | 0 | 0 | 114.3 | S115 L117 | S115-M119 WeakPolarHBondContact O-CB 3.21Å; S115-M119 PolarHBondContact O-N 3.44Å; S115-M119 VanDerWaalsContact O-N 3.17Å; L117-M119 PolarHBondContact O-N 2.84Å |
| 120 | H | 84.4 | Confident | 88.4 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -135.4 | -12.9 | -164.7 | -57.1 | -47.3 | 0 | 0 | 0 | 115.9 | T86 F89 R90 Q116 L117 | T86-H120 HydrophobicContact CG2-CB 3.84Å; T86-H120 WeakPolarHBondContact CG2-CD2 3.41Å; F89-H120 HydrophobicContact CB-CB 4.44Å; F89-H120 HydrophobicContact CD2-CB 3.88Å; R90-H120 WeakPolarHBondContact CG-O 3.47Å; Q116-H120 WeakPolarHBondContact O-CB 3.28Å; Q116-H120 PolarHBondContact O-CD2 3.35Å; Q116-H120 VanDerWaalsContact O-CD2 3.31Å; Q116-H120 PolarHBondContact O-N 3.45Å; L117-H120 PolarHBondContact O-N 2.87Å |
| 121 | A | 81.9 | Confident | 88.6 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 13% | 0.132 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -64.7 | 166.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | F95 L117 C123 P126 | F95-A121 HydrophobicContact CE2-CB 4.22Å; F95-A121 HydrophobicContact CZ-CB 4.15Å; L117-A121 WeakPolarHBondContact O-CB 3.33Å; L117-A121 PolarHBondContact O-N 3.49Å; A121-C123 PolarHBondContact O-N 2.98Å; A121-P126 HydrophobicContact CB-CB 4.14Å; A121-P126 HydrophobicContact CB-CG 4.08Å |
| 122 | Y | 78.2 | Confident | 88.8 | Confident | 106 Ų | 106 | 47.6 Ų | 47.6 | 42% | 0.416 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -69.4 | -13.4 | -178.4 | 75.8 | -88.2 | 0 | 0 | 0 | 114 | A92 R184 | A92-Y122 WeakPolarHBondContact O-CD1 3.44Å; A92-Y122 WeakPolarHBondContact O-CE1 3.28Å; Y122-R184 PolarHBondContact OH-NH1 2.62Å; Y122-R184 PolarHBondContact OH-NH2 3.46Å |
| 123 | C | 77.8 | Confident | 89 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 27% | 0.27 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -145.8 | 157.5 | 175.9 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | A121 N125 P126 | A121-C123 PolarHBondContact O-N 2.98Å; C123-N125 VanDerWaalsContact C-N 3.28Å; C123-N125 PolarHBondContact O-N 2.62Å; C123-N125 VanDerWaalsContact SG-C 3.57Å; C123-N125 PolarHBondContact SG-O 3.31Å; C123-P126 WeakPolarHBondContact O-CD 3.41Å |
| 124 | E | 71.1 | Confident | 89.3 | Confident | 157 Ų | 157 | 46 Ų | 46 | 73% | 0.734 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -60.5 | -34.3 | -179 | -60.3 | 179.5 | 162.8 | 0 | 0 | 113.5 | P126 | E124-P126 VanDerWaalsContact O-CD 3.31Å; E124-P126 WeakPolarHBondContact O-CD 3.34Å |
| 125 | N | 79.5 | Confident | 89.7 | Confident | 127 Ų | 127 | 46.8 Ų | 46.8 | 68% | 0.679 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -119.5 | 76.7 | -179.1 | -66 | -34.3 | 0 | 0 | 0 | 110.7 | C123 | C123-N125 VanDerWaalsContact C-N 3.28Å; C123-N125 PolarHBondContact O-N 2.62Å; C123-N125 VanDerWaalsContact SG-C 3.57Å; C123-N125 PolarHBondContact SG-O 3.31Å |
| 126 | P | 88.2 | Confident | 90 | Very high | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | trans | -71.1 | 156 | 175.5 | 30.4 | -33.3 | 0 | 0 | 0 | 111.5 | F95 L117 A121 C123 E124 I128 | F95-P126 HydrophobicContact CD2-CB 3.8Å; F95-P126 HydrophobicContact CD2-CG 4.35Å; F95-P126 HydrophobicContact CE2-CB 3.54Å; F95-P126 HydrophobicContact CE2-CG 4.25Å; L117-P126 HydrophobicContact CB-CG 4.43Å; A121-P126 HydrophobicContact CB-CB 4.14Å; A121-P126 HydrophobicContact CB-CG 4.08Å; C123-P126 WeakPolarHBondContact O-CD 3.41Å; E124-P126 VanDerWaalsContact O-CD 3.31Å; E124-P126 WeakPolarHBondContact O-CD 3.34Å; P126-I128 HydrophobicContact CG-CD1 4.12Å; P126-I128 HydrophobicContact CG-CG1 4.22Å; P126-I128 PolarHBondContact O-N 2.93Å | ||
| 127 | D | 95.3 | Very high | 90.5 | Very high | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.1 | 175.7 | -66.3 | -13.1 | 0 | 0 | 0 | 108.3 | G94 F95 L177 L180 I181 R184 | G94-D127 WeakPolarHBondContact CA-O 3.37Å; F95-D127 PolarHBondContact N-O 3.01Å; D127-L177 HydrophobicContact CB-CD1 4.04Å; D127-L177 WeakPolarHBondContact O-CD1 3.19Å; D127-L180 HydrophobicContact CB-CB 4.32Å; D127-L180 HydrophobicContact CB-CD1 4.48Å; D127-I181 HydrophobicContact CB-CD1 4.25Å; D127-I181 HydrophobicContact CB-CG1 3.85Å; D127-I181 WeakPolarHBondContact OD2-CA 3.44Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.48Å; D127-R184 IonicContact OD1-CZ 2.99Å; D127-R184 IonicContact OD1-NE 3.69Å; D127-R184 IonicContact OD1-NH1 3.71Å; D127-R184 PolarHBondContact OD1-NH1 3.01Å; D127-R184 IonicContact OD2-CZ 2.65Å; D127-R184 IonicContact OD2-NE 2.67Å; D127-R184 PolarHBondContact OD2-NE 3.26Å; D127-R184 IonicContact OD2-NH1 3.7Å; D127-R184 PolarHBondContact OD2-NH1 3.34Å; D127-R184 IonicContact OD2-NH2 3.47Å; D127-R184 PolarHBondContact OD2-NH2 2.83Å |
| 128 | I | 97 | Very high | 90.9 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.5 | -177.1 | -56.7 | 167.5 | 0 | 0 | 0 | 108.5 | F95 L97 L117 P126 I157 P158 | F95-I128 HydrophobicContact CB-CG1 4.25Å; F95-I128 HydrophobicContact CD2-CG1 4.41Å; F95-I128 WeakPolarHBondContact O-CA 3.29Å; L97-I128 HydrophobicContact CB-CG2 3.92Å; L117-I128 HydrophobicContact CD1-CD1 3.72Å; L117-I128 HydrophobicContact CD1-CG1 4.06Å; P126-I128 HydrophobicContact CG-CD1 4.12Å; P126-I128 HydrophobicContact CG-CG1 4.22Å; P126-I128 PolarHBondContact O-N 2.93Å; I128-I157 HydrophobicContact CB-CG2 4.05Å; I128-I157 HydrophobicContact CG2-CD1 4.18Å; I128-P158 WeakPolarHBondContact O-CD 3.26Å |
| 129 | V | 98.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.8 | 163.3 | 172.4 | 0 | 0 | 0 | 0 | 109 | F95 L96 L97 P158 F160 A173 T176 L177 L180 | F95-V129 PolarHBondContact O-N 3.44Å; L96-V129 HydrophobicContact CD2-CB 4.48Å; L97-V129 PolarHBondContact N-O 3.26Å; V129-P158 HydrophobicContact CG2-CB 4.28Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; V129-F160 HydrophobicContact CG1-CD2 3.56Å; V129-F160 HydrophobicContact CG1-CE2 3.8Å; V129-A173 HydrophobicContact CG1-CB 4.12Å; V129-T176 HydrophobicContact CG2-CG2 4.37Å; V129-L177 HydrophobicContact CB-CB 4.45Å; V129-L177 HydrophobicContact CG2-CB 3.77Å; V129-L177 HydrophobicContact CG2-CD1 4.15Å; V129-L180 HydrophobicContact CG2-CD1 4.38Å |
| 130 | L | 98.8 | Very high | 92 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130.1 | 176.7 | -173 | 68.3 | 0 | 0 | 0 | 110 | L97 F99 V110 A152 I157 P158 Y159 F160 | L97-L130 HydrophobicContact CB-CD1 4.41Å; L97-L130 HydrophobicContact CD2-CD1 4.38Å; L97-L130 HydrophobicContact CG-CD1 4.12Å; L97-L130 WeakPolarHBondContact O-CA 3.26Å; F99-L130 HydrophobicContact CD1-CD1 3.97Å; F99-L130 HydrophobicContact CD1-CG 4.29Å; F99-L130 HydrophobicContact CE1-CD1 4.18Å; F99-L130 HydrophobicContact CE1-CD2 4.12Å; F99-L130 HydrophobicContact CE1-CG 3.99Å; V110-L130 HydrophobicContact CG1-CD1 3.64Å; V110-L130 HydrophobicContact CG2-CD1 4.14Å; L130-A152 HydrophobicContact CD2-CB 4.04Å; L130-I157 HydrophobicContact CB-CD1 3.94Å; L130-I157 HydrophobicContact CB-CG1 4.39Å; L130-P158 PolarHBondContact N-O 3Å; L130-Y159 HydrophobicContact CB-CD2 4.13Å; L130-Y159 HydrophobicContact CD2-CD2 3.84Å; L130-Y159 HydrophobicContact CD2-CE2 4.4Å; L130-Y159 HydrophobicContact CG-CD2 3.89Å; L130-Y159 HydrophobicContact CG-CE2 4.46Å; L130-Y159 WeakPolarHBondContact O-CA 3.48Å; L130-F160 PolarHBondContact O-N 2.88Å |
| 131 | C | 98.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 110.1 | -177.7 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | L97 L98 F99 N133 F160 T162 | L97-C131 PolarHBondContact O-N 2.76Å; L98-C131 WeakPolarHBondContact CA-O 3.33Å; L98-C131 HydrophobicContact CD1-CB 4.36Å; L98-C131 HydrophobicContact CG-CB 3.94Å; F99-C131 PolarHBondContact N-O 2.89Å; C131-N133 PolarHBondContact O-N 3Å; C131-F160 CarbonylContact C-O 3.35Å; C131-F160 WeakPolarHBondContact CA-O 3.38Å; C131-T162 HydrophobicContact CB-CG2 4.41Å |
| 132 | G | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 100.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | F99 L101 F160 E161 T162 | F99-G132 VanDerWaalsContact CZ-CA 3.49Å; L101-G132 WeakPolarHBondContact CD1-O 3.3Å; G132-F160 PolarHBondContact N-O 2.85Å; G132-E161 CarbonylContact O-C 3.55Å; G132-E161 VanDerWaalsContact O-CA 3.31Å; G132-E161 WeakPolarHBondContact O-CA 3.5Å; G132-T162 PolarHBondContact O-N 2.95Å |
| 133 | N | 98.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 164.4 | -173 | -166.4 | 25.9 | 0 | 0 | 0 | 112.2 | V20 L98 F99 L101 C131 T162 A164 | V20-N133 PolarHBondContact O-ND2 3.11Å; L98-N133 HydrophobicContact CD2-CB 4.44Å; F99-N133 WeakPolarHBondContact O-CB 3.31Å; F99-N133 PolarHBondContact O-N 2.97Å; L101-N133 WeakPolarHBondContact CB-O 3.36Å; L101-N133 WeakPolarHBondContact CG-O 3.35Å; L101-N133 PolarHBondContact N-O 3.4Å; C131-N133 PolarHBondContact O-N 3Å; N133-T162 CarbonylContact C-O 3.47Å; N133-T162 VanDerWaalsContact CA-O 3.29Å; N133-T162 WeakPolarHBondContact CA-O 3.43Å; N133-T162 WeakPolarHBondContact CA-OG1 3.41Å; N133-T162 PolarHBondContact OD1-O 3.1Å; N133-T162 PolarHBondContact OD1-OG1 3.26Å; N133-A164 PolarHBondContact OD1-N 2.93Å |
| 134 | K | 98.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 58 Ų | 58 | 23% | 0.226 | 29% | 0.285 | C | S | . | . | trans | 69 | 36.3 | -176.4 | -44.9 | -171.8 | -160.7 | 160.1 | 0 | 114.7 | G19 D100 D136 L137 T162 | G19-K134 WeakPolarHBondContact O-CE 3.39Å; G19-K134 PolarHBondContact O-NZ 3.28Å; G19-K134 VanDerWaalsContact O-NZ 3.14Å; D100-K134 VanDerWaalsContact CG-NZ 3.26Å; D100-K134 VanDerWaalsContact OD1-CD 3.23Å; D100-K134 WeakPolarHBondContact OD1-CD 3.29Å; D100-K134 WeakPolarHBondContact OD1-CE 3.33Å; D100-K134 IonicContact OD1-NZ 3.61Å; D100-K134 PolarHBondContact OD1-NZ 2.99Å; D100-K134 WeakPolarHBondContact OD2-CE 3.48Å; D100-K134 IonicContact OD2-NZ 3.68Å; D100-K134 PolarHBondContact OD2-NZ 2.94Å; K134-D136 WeakPolarHBondContact CA-OD1 3.37Å; K134-D136 PolarHBondContact O-N 2.95Å; K134-L137 HydrophobicContact CB-CD1 4.17Å; K134-L137 HydrophobicContact CB-CG 4.39Å; K134-L137 HydrophobicContact CD-CD1 4.08Å; K134-L137 PolarHBondContact O-N 2.96Å; K134-T162 PolarHBondContact N-O 2.88Å | ||
| 135 | S | 98.4 | Very high | 96.7 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -2.5 | 174.4 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | L137 T162 | S135-L137 VanDerWaalsContact C-N 3.34Å; S135-T162 PolarHBondContact N-O 3.4Å; S135-T162 VanDerWaalsContact OG-C 3.25Å; S135-T162 PolarHBondContact OG-O 2.89Å; S135-T162 VanDerWaalsContact OG-O 3.12Å |
| 136 | D | 98.2 | Very high | 97.5 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 34% | 0.342 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15 | 166.5 | 54.7 | -70 | 0 | 0 | 0 | 114.1 | K134 S163 A165 | K134-D136 WeakPolarHBondContact CA-OD1 3.37Å; K134-D136 PolarHBondContact O-N 2.95Å; D136-S163 WeakPolarHBondContact OD1-CB 3.43Å; D136-S163 PolarHBondContact OD1-OG 3.18Å; D136-A165 WeakPolarHBondContact OD2-CB 3.37Å |
| 137 | L | 97.3 | Very high | 98 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | trans | -103.6 | 48.5 | -177 | -58.3 | -177.8 | 0 | 0 | 0 | 112.2 | T102 K134 S135 D139 Q140 R141 | T102-L137 HydrophobicContact CG2-CB 3.67Å; T102-L137 HydrophobicContact CG2-CD1 4.07Å; K134-L137 HydrophobicContact CB-CD1 4.17Å; K134-L137 HydrophobicContact CB-CG 4.39Å; K134-L137 HydrophobicContact CD-CD1 4.08Å; K134-L137 PolarHBondContact O-N 2.96Å; S135-L137 VanDerWaalsContact C-N 3.34Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 3.4Å; L137-Q140 HydrophobicContact CB-CB 4.4Å; L137-Q140 CarbonylContact O-C 3.51Å; L137-Q140 WeakPolarHBondContact O-CA 3.38Å; L137-Q140 PolarHBondContact O-N 2.83Å; L137-R141 PolarHBondContact O-N 2.76Å | ||
| 138 | E | 97.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 55.1 Ų | 55.1 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -58.1 | -36.7 | -173.7 | -168.7 | 60 | -148.1 | 0 | 0 | 113.2 | Q140 R141 | E138-Q140 PolarHBondContact O-N 2.77Å; E138-R141 VanDerWaalsContact O-CB 3.29Å; E138-R141 WeakPolarHBondContact O-CB 3.46Å; E138-R141 PolarHBondContact O-N 3.36Å; E138-R141 WeakPolarHBondContact OE1-CD 3.34Å; E138-R141 IonicContact OE1-CZ 3.89Å; E138-R141 IonicContact OE1-NE 3.89Å; E138-R141 PolarHBondContact OE1-NE 3.15Å; E138-R141 IonicContact OE1-NH2 2.7Å; E138-R141 IonicContact OE2-CZ 3.31Å; E138-R141 IonicContact OE2-NE 3.42Å; E138-R141 PolarHBondContact OE2-NE 3.38Å; E138-R141 IonicContact OE2-NH2 2.7Å; E138-R141 PolarHBondContact OE2-NH2 2.93Å |
| 139 | D | 97.8 | Very high | 98.2 | Very high | 176 Ų | 176 | 58.3 Ų | 58.3 | 94% | 0.941 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -61.6 | -14.6 | 174 | -63.6 | -40.5 | 0 | 0 | 0 | 114 | L137 | L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 3.4Å |
| 140 | Q | 97.9 | Very high | 98.2 | Very high | 115 Ų | 115 | 64.8 Ų | 64.8 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -114.4 | 10.7 | 178.7 | -63.2 | 173 | 56.1 | 0 | 0 | 112 | T102 L137 E138 M142 | T102-Q140 VanDerWaalsContact CA-O 3.28Å; T102-Q140 WeakPolarHBondContact CA-O 3.45Å; T102-Q140 VanDerWaalsContact CB-O 3.25Å; T102-Q140 WeakPolarHBondContact CB-O 3.39Å; T102-Q140 HydrophobicContact CG2-CB 3.72Å; T102-Q140 WeakPolarHBondContact CG2-O 3.39Å; L137-Q140 HydrophobicContact CB-CB 4.4Å; L137-Q140 CarbonylContact O-C 3.51Å; L137-Q140 WeakPolarHBondContact O-CA 3.38Å; L137-Q140 PolarHBondContact O-N 2.83Å; E138-Q140 PolarHBondContact O-N 2.77Å; Q140-M142 PolarHBondContact O-N 3.22Å |
| 141 | R | 98.4 | Very high | 98.2 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | trans | -60.1 | 125.3 | 178.9 | 179.2 | -173.7 | -75.2 | -98 | 4.2 | 110.7 | L137 E138 V143 E161 | L137-R141 PolarHBondContact O-N 2.76Å; E138-R141 VanDerWaalsContact O-CB 3.29Å; E138-R141 WeakPolarHBondContact O-CB 3.46Å; E138-R141 PolarHBondContact O-N 3.36Å; E138-R141 WeakPolarHBondContact OE1-CD 3.34Å; E138-R141 IonicContact OE1-CZ 3.89Å; E138-R141 IonicContact OE1-NE 3.89Å; E138-R141 PolarHBondContact OE1-NE 3.15Å; E138-R141 IonicContact OE1-NH2 2.7Å; E138-R141 IonicContact OE2-CZ 3.31Å; E138-R141 IonicContact OE2-NE 3.42Å; E138-R141 PolarHBondContact OE2-NE 3.38Å; E138-R141 IonicContact OE2-NH2 2.7Å; E138-R141 PolarHBondContact OE2-NH2 2.93Å; R141-V143 VanDerWaalsContact CD-O 3.25Å; R141-V143 WeakPolarHBondContact CD-O 3.5Å; R141-V143 WeakPolarHBondContact CG-O 3.46Å; R141-V143 PolarHBondContact NH1-O 3.29Å; R141-E161 IonicContact CZ-OE1 3.38Å; R141-E161 IonicContact CZ-OE2 3.02Å; R141-E161 IonicContact NH1-OE1 3.3Å; R141-E161 PolarHBondContact NH1-OE1 2.7Å; R141-E161 IonicContact NH1-OE2 3.32Å; R141-E161 IonicContact NH2-OE1 2.83Å; R141-E161 PolarHBondContact NH2-OE1 3.12Å; R141-E161 IonicContact NH2-OE2 3.63Å; R141-E161 PolarHBondContact NH2-OE2 3.12Å | ||
| 142 | M | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 65.2 Ų | 65.2 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | trans | -111.6 | -14.4 | 174.9 | -63.1 | -67.4 | -71.6 | 0 | 0 | 112.6 | L101 E104 Q140 | L101-M142 PolarHBondContact O-N 3.01Å; E104-M142 HydrophobicContact CB-CB 4.36Å; Q140-M142 PolarHBondContact O-N 3.22Å | ||
| 143 | V | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -119.7 | 126.4 | -177.6 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | F99 L101 F107 R141 A148 | F99-V143 HydrophobicContact CE2-CB 4.18Å; F99-V143 HydrophobicContact CE2-CG1 3.87Å; F99-V143 HydrophobicContact CE2-CG2 4.27Å; F99-V143 HydrophobicContact CZ-CG1 4.39Å; L101-V143 HydrophobicContact CD2-CB 4.38Å; L101-V143 PolarHBondContact O-N 2.67Å; F107-V143 HydrophobicContact CB-CG1 4.27Å; F107-V143 HydrophobicContact CB-CG2 3.76Å; F107-V143 HydrophobicContact CD1-CG1 3.79Å; F107-V143 HydrophobicContact CD1-CG2 4.37Å; F107-V143 HydrophobicContact CD2-CG1 4.05Å; F107-V143 HydrophobicContact CE1-CG1 4.08Å; F107-V143 HydrophobicContact CE2-CG1 4.34Å; F107-V143 HydrophobicContact CG-CG1 3.77Å; F107-V143 HydrophobicContact CG-CG2 4.16Å; F107-V143 HydrophobicContact CZ-CG1 4.35Å; R141-V143 VanDerWaalsContact CD-O 3.25Å; R141-V143 WeakPolarHBondContact CD-O 3.5Å; R141-V143 WeakPolarHBondContact CG-O 3.46Å; R141-V143 PolarHBondContact NH1-O 3.29Å; V143-A148 HydrophobicContact CG1-CB 4.43Å |
| 144 | K | 98.1 | Very high | 98 | Very high | 116 Ų | 116 | 80.1 Ų | 80.1 | 50% | 0.504 | 38% | 0.379 | S | S | . | . | trans | -76.2 | 148.4 | 178.7 | -56.4 | -173.3 | -161.9 | 114.5 | 0 | 111.3 | E146 E147 A148 | K144-E146 VanDerWaalsContact C-N 3.27Å; K144-E146 PolarHBondContact O-N 3.27Å; K144-E147 HydrophobicContact CB-CB 4.41Å; K144-E147 HydrophobicContact CB-CG 4.1Å; K144-E147 PolarHBondContact N-OE2 3.47Å; K144-E147 IonicContact NZ-OE1 2.88Å; K144-E147 PolarHBondContact NZ-OE1 2.94Å; K144-E147 PolarHBondContact O-N 3.09Å; K144-A148 PolarHBondContact O-N 3.31Å | ||
| 145 | E | 97.5 | Very high | 97.8 | Very high | 74 Ų | 74 | 81.1 Ų | 81.1 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 179.4 | -165.3 | -168.3 | -179.1 | 0 | 0 | 110.9 | A148 K149 Y159 E161 | E145-A148 PolarHBondContact O-N 2.7Å; E145-K149 VanDerWaalsContact CD-CE 3.41Å; E145-K149 HydrophobicContact CG-CD 4.15Å; E145-K149 WeakPolarHBondContact O-CB 3.39Å; E145-K149 VanDerWaalsContact O-CG 3.29Å; E145-K149 WeakPolarHBondContact O-CG 3.47Å; E145-K149 PolarHBondContact O-N 2.7Å; E145-K149 WeakPolarHBondContact OE1-CE 3.43Å; E145-K149 IonicContact OE1-NZ 3.03Å; E145-K149 PolarHBondContact OE1-NZ 2.88Å; E145-K149 IonicContact OE2-NZ 3.63Å; E145-K149 PolarHBondContact OE2-NZ 3.29Å; E145-Y159 HydrophobicContact CG-CE1 4.21Å; E145-E161 WeakPolarHBondContact CG-OE1 2.86Å |
| 146 | E | 98.1 | Very high | 97.7 | Very high | 112 Ų | 112 | 83.3 Ų | 83.3 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 178.2 | -61.4 | 77.7 | -170.9 | 0 | 0 | 112 | K144 A148 K149 E150 | K144-E146 VanDerWaalsContact C-N 3.27Å; K144-E146 PolarHBondContact O-N 3.27Å; E146-A148 VanDerWaalsContact C-N 3.28Å; E146-A148 PolarHBondContact O-N 3.32Å; E146-K149 PolarHBondContact O-N 2.79Å; E146-E150 WeakPolarHBondContact O-CG 3.27Å; E146-E150 PolarHBondContact O-N 2.78Å |
| 147 | E | 97.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 81.5 Ų | 81.5 | 34% | 0.341 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | -179.7 | -67.9 | 163.4 | 174 | 0 | 0 | 111.2 | F107 K144 L151 | F107-E147 HydrophobicContact CE1-CB 4.39Å; F107-E147 HydrophobicContact CZ-CB 4.48Å; F107-E147 WeakPolarHBondContact CZ-O 3.28Å; K144-E147 HydrophobicContact CB-CB 4.41Å; K144-E147 HydrophobicContact CB-CG 4.1Å; K144-E147 PolarHBondContact N-OE2 3.47Å; K144-E147 IonicContact NZ-OE1 2.88Å; K144-E147 PolarHBondContact NZ-OE1 2.94Å; K144-E147 PolarHBondContact O-N 3.09Å; E147-L151 PolarHBondContact O-N 3.15Å; E147-L151 VanDerWaalsContact O-N 3.16Å |
| 148 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -73.4 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F99 F107 V143 K144 E145 E146 L151 A152 Y159 | F99-A148 HydrophobicContact CE1-CB 4.42Å; F99-A148 HydrophobicContact CZ-CB 3.79Å; F107-A148 HydrophobicContact CE2-CB 3.91Å; F107-A148 HydrophobicContact CZ-CB 4.31Å; V143-A148 HydrophobicContact CG1-CB 4.43Å; K144-A148 PolarHBondContact O-N 3.31Å; E145-A148 PolarHBondContact O-N 2.7Å; E146-A148 VanDerWaalsContact C-N 3.28Å; E146-A148 PolarHBondContact O-N 3.32Å; A148-L151 PolarHBondContact O-N 2.9Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.02Å; A148-Y159 HydrophobicContact CB-CD1 4.48Å; A148-Y159 HydrophobicContact CB-CE1 3.75Å; A148-Y159 HydrophobicContact CB-CE2 3.84Å; A148-Y159 VanDerWaalsContact CB-OH 3.3Å; A148-Y159 WeakPolarHBondContact CB-OH 3.47Å |
| 149 | K | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 77.2 Ų | 77.2 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 171.5 | -78.2 | 168.6 | 176.1 | 162.4 | 0 | 111.7 | E145 E146 L151 A152 E153 Y159 | E145-K149 VanDerWaalsContact CD-CE 3.41Å; E145-K149 HydrophobicContact CG-CD 4.15Å; E145-K149 WeakPolarHBondContact O-CB 3.39Å; E145-K149 VanDerWaalsContact O-CG 3.29Å; E145-K149 WeakPolarHBondContact O-CG 3.47Å; E145-K149 PolarHBondContact O-N 2.7Å; E145-K149 WeakPolarHBondContact OE1-CE 3.43Å; E145-K149 IonicContact OE1-NZ 3.03Å; E145-K149 PolarHBondContact OE1-NZ 2.88Å; E145-K149 IonicContact OE2-NZ 3.63Å; E145-K149 PolarHBondContact OE2-NZ 3.29Å; E146-K149 PolarHBondContact O-N 2.79Å; K149-L151 VanDerWaalsContact C-N 3.27Å; K149-L151 PolarHBondContact O-N 2.97Å; K149-A152 WeakPolarHBondContact O-CB 3.32Å; K149-A152 PolarHBondContact O-N 2.85Å; K149-A152 VanDerWaalsContact O-N 3.08Å; K149-E153 WeakPolarHBondContact O-CG 3.41Å; K149-E153 PolarHBondContact O-N 2.78Å; K149-Y159 HydrophobicContact CG-CD1 3.83Å; K149-Y159 HydrophobicContact CG-CE1 4.2Å |
| 150 | E | 98.4 | Very high | 97.9 | Very high | 135 Ų | 135 | 70.1 Ų | 70.1 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.1 | -40.4 | 176.7 | -75.4 | -179 | -172.8 | 0 | 0 | 111.9 | E146 K154 | E146-E150 WeakPolarHBondContact O-CG 3.27Å; E146-E150 PolarHBondContact O-N 2.78Å; E150-K154 VanDerWaalsContact O-CB 3.28Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 PolarHBondContact O-N 3.08Å |
| 151 | L | 97.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 175.5 | -166 | 74.9 | 0 | 0 | 0 | 111.6 | F107 V110 R111 E147 A148 K149 K154 Y155 | F107-L151 HydrophobicContact CD2-CD2 4.28Å; F107-L151 HydrophobicContact CE2-CB 4.2Å; F107-L151 HydrophobicContact CE2-CD2 3.5Å; F107-L151 HydrophobicContact CE2-CG 4.46Å; F107-L151 HydrophobicContact CZ-CB 4.03Å; F107-L151 HydrophobicContact CZ-CD2 3.81Å; F107-L151 HydrophobicContact CZ-CG 4.45Å; V110-L151 HydrophobicContact CB-CD2 4.07Å; V110-L151 HydrophobicContact CG1-CD2 3.75Å; R111-L151 HydrophobicContact CG-CD1 4.19Å; E147-L151 PolarHBondContact O-N 3.15Å; E147-L151 VanDerWaalsContact O-N 3.16Å; A148-L151 PolarHBondContact O-N 2.9Å; K149-L151 VanDerWaalsContact C-N 3.27Å; K149-L151 PolarHBondContact O-N 2.97Å; L151-K154 PolarHBondContact O-N 2.85Å; L151-Y155 HydrophobicContact CD1-CE2 3.98Å; L151-Y155 HydrophobicContact CG-CD2 4.29Å; L151-Y155 HydrophobicContact CG-CE2 4.14Å; L151-Y155 WeakPolarHBondContact O-CD2 3.42Å; L151-Y155 PolarHBondContact O-N 2.85Å |
| 152 | A | 97.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L130 A148 K149 K154 Y155 G156 I157 Y159 | L130-A152 HydrophobicContact CD2-CB 4.04Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.02Å; K149-A152 WeakPolarHBondContact O-CB 3.32Å; K149-A152 PolarHBondContact O-N 2.85Å; K149-A152 VanDerWaalsContact O-N 3.08Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 2.86Å; A152-Y155 CarbonylContact O-C 3.5Å; A152-Y155 PolarHBondContact O-N 2.85Å; A152-Y155 VanDerWaalsContact O-N 3.17Å; A152-G156 PolarHBondContact O-N 2.86Å; A152-I157 HydrophobicContact CB-CG1 4.17Å; A152-I157 PolarHBondContact O-N 3.48Å; A152-Y159 HydrophobicContact CB-CG 4.43Å |
| 153 | E | 97.8 | Very high | 97.9 | Very high | 154 Ų | 154 | 57.5 Ų | 57.5 | 72% | 0.72 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.4 | -43.4 | 174.5 | -73.4 | -179.8 | -175.4 | 0 | 0 | 111.6 | K149 Y155 G156 | K149-E153 WeakPolarHBondContact O-CG 3.41Å; K149-E153 PolarHBondContact O-N 2.78Å; E153-Y155 PolarHBondContact O-N 2.81Å; E153-G156 PolarHBondContact O-N 2.83Å |
| 154 | K | 96.8 | Very high | 97.9 | Very high | 160 Ų | 160 | 57.6 Ų | 57.6 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.4 | -31.7 | 176.6 | 178.3 | 175.3 | 179.6 | 175 | 0 | 113.5 | E150 L151 A152 | E150-K154 VanDerWaalsContact O-CB 3.28Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 PolarHBondContact O-N 3.08Å; L151-K154 PolarHBondContact O-N 2.85Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 2.86Å |
| 155 | Y | 95.2 | Very high | 97.8 | Very high | 73 Ų | 73 | 53.8 Ų | 53.8 | 29% | 0.286 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -96.3 | -4.2 | 175.9 | -70.6 | -69 | 0 | 0 | 0 | 113.5 | I114 L151 A152 E153 I157 | I114-Y155 HydrophobicContact CB-CE1 4.5Å; I114-Y155 HydrophobicContact CD1-CD1 4.21Å; I114-Y155 HydrophobicContact CD1-CD2 3.42Å; I114-Y155 VanDerWaalsContact CD1-CD2 3.42Å; I114-Y155 HydrophobicContact CD1-CE1 4.29Å; I114-Y155 HydrophobicContact CD1-CE2 3.51Å; I114-Y155 HydrophobicContact CD1-CG 3.8Å; I114-Y155 HydrophobicContact CG2-CD1 3.9Å; I114-Y155 HydrophobicContact CG2-CE1 3.74Å; L151-Y155 HydrophobicContact CD1-CE2 3.98Å; L151-Y155 HydrophobicContact CG-CD2 4.29Å; L151-Y155 HydrophobicContact CG-CE2 4.14Å; L151-Y155 WeakPolarHBondContact O-CD2 3.42Å; L151-Y155 PolarHBondContact O-N 2.85Å; A152-Y155 CarbonylContact O-C 3.5Å; A152-Y155 PolarHBondContact O-N 2.85Å; A152-Y155 VanDerWaalsContact O-N 3.17Å; E153-Y155 PolarHBondContact O-N 2.81Å; Y155-I157 VanDerWaalsContact C-N 3.32Å; Y155-I157 PolarHBondContact O-N 2.96Å |
| 156 | G | 96.2 | Very high | 97.8 | Very high | 68 Ų | 68 | 55 Ų | 55 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 27.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A152 E153 | A152-G156 PolarHBondContact O-N 2.86Å; E153-G156 PolarHBondContact O-N 2.83Å |
| 157 | I | 97.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | trans | -110.3 | 145.8 | -175 | 62.2 | -179 | 0 | 0 | 0 | 111.4 | I114 I128 L130 A152 Y155 | I114-I157 HydrophobicContact CD1-CD1 4.19Å; I128-I157 HydrophobicContact CB-CG2 4.05Å; I128-I157 HydrophobicContact CG2-CD1 4.18Å; L130-I157 HydrophobicContact CB-CD1 3.94Å; L130-I157 HydrophobicContact CB-CG1 4.39Å; A152-I157 HydrophobicContact CB-CG1 4.17Å; A152-I157 PolarHBondContact O-N 3.48Å; Y155-I157 VanDerWaalsContact C-N 3.32Å; Y155-I157 PolarHBondContact O-N 2.96Å | ||
| 158 | P | 98.4 | Very high | 97.8 | Very high | 40 Ų | 40 | 51 Ų | 51 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | trans | -64.5 | 145.8 | 172.9 | -20.9 | 33.4 | 0 | 0 | 0 | 112.1 | I128 V129 L130 F160 T176 L180 | I128-P158 WeakPolarHBondContact O-CD 3.26Å; V129-P158 HydrophobicContact CG2-CB 4.28Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; L130-P158 PolarHBondContact N-O 3Å; P158-F160 HydrophobicContact CB-CE2 4.04Å; P158-T176 HydrophobicContact CB-CG2 4.15Å; P158-T176 HydrophobicContact CG-CG2 4.07Å; P158-L180 HydrophobicContact CG-CD1 4.08Å | ||
| 159 | Y | 98.7 | Very high | 97.8 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 13% | 0.129 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 138.4 | 175.6 | 173.9 | -122.4 | 0 | 0 | 0 | 111.6 | F99 L130 E145 A148 K149 A152 E161 | F99-Y159 AromaticContact CE1-CE2 3.76Å; F99-Y159 HydrophobicContact CE1-CE2 3.76Å; F99-Y159 AromaticContact CZ-CE2 3.83Å; F99-Y159 HydrophobicContact CZ-CE2 3.83Å; L130-Y159 HydrophobicContact CB-CD2 4.13Å; L130-Y159 HydrophobicContact CD2-CD2 3.84Å; L130-Y159 HydrophobicContact CD2-CE2 4.4Å; L130-Y159 HydrophobicContact CG-CD2 3.89Å; L130-Y159 HydrophobicContact CG-CE2 4.46Å; L130-Y159 WeakPolarHBondContact O-CA 3.48Å; E145-Y159 HydrophobicContact CG-CE1 4.21Å; A148-Y159 HydrophobicContact CB-CD1 4.48Å; A148-Y159 HydrophobicContact CB-CE1 3.75Å; A148-Y159 HydrophobicContact CB-CE2 3.84Å; A148-Y159 VanDerWaalsContact CB-OH 3.3Å; A148-Y159 WeakPolarHBondContact CB-OH 3.47Å; K149-Y159 HydrophobicContact CG-CD1 3.83Å; K149-Y159 HydrophobicContact CG-CE1 4.2Å; A152-Y159 HydrophobicContact CB-CG 4.43Å; Y159-E161 HydrophobicContact CE1-CG 3.94Å; Y159-E161 WeakPolarHBondContact OH-CG 3.43Å; Y159-E161 PolarHBondContact OH-OE1 3.12Å; Y159-E161 VanDerWaalsContact OH-OE1 3.09Å |
| 160 | F | 98.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134.5 | 170.9 | -60.5 | -80.2 | 0 | 0 | 0 | 111.2 | V129 L130 C131 G132 P158 T162 N169 K172 A173 T176 | V129-F160 HydrophobicContact CG1-CD2 3.56Å; V129-F160 HydrophobicContact CG1-CE2 3.8Å; L130-F160 PolarHBondContact O-N 2.88Å; C131-F160 CarbonylContact C-O 3.35Å; C131-F160 WeakPolarHBondContact CA-O 3.38Å; G132-F160 PolarHBondContact N-O 2.85Å; P158-F160 HydrophobicContact CB-CE2 4.04Å; F160-T162 HydrophobicContact CB-CG2 4.01Å; F160-N169 HydrophobicContact CB-CB 4.3Å; F160-K172 HydrophobicContact CD1-CD 4Å; F160-K172 HydrophobicContact CD1-CG 4.32Å; F160-K172 HydrophobicContact CE1-CD 3.66Å; F160-K172 HydrophobicContact CE1-CG 3.82Å; F160-K172 HydrophobicContact CZ-CG 4.32Å; F160-A173 HydrophobicContact CB-CB 4.25Å; F160-A173 HydrophobicContact CD2-CB 3.69Å; F160-A173 HydrophobicContact CE2-CB 4.36Å; F160-A173 HydrophobicContact CG-CB 4.11Å; F160-T176 HydrophobicContact CE2-CG2 3.99Å; F160-T176 HydrophobicContact CZ-CG2 4.06Å; F160-T176 WeakPolarHBondContact CZ-OG1 3.31Å |
| 161 | E | 98.8 | Very high | 97.7 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.1 | 161.2 | -69.3 | -163.7 | 167.5 | 0 | 0 | 109.7 | L101 G132 R141 E145 Y159 N169 | L101-E161 HydrophobicContact CD1-CB 4.29Å; L101-E161 HydrophobicContact CD1-CG 4.11Å; L101-E161 HydrophobicContact CD2-CG 4.46Å; G132-E161 CarbonylContact O-C 3.55Å; G132-E161 VanDerWaalsContact O-CA 3.31Å; G132-E161 WeakPolarHBondContact O-CA 3.5Å; R141-E161 IonicContact CZ-OE1 3.38Å; R141-E161 IonicContact CZ-OE2 3.02Å; R141-E161 IonicContact NH1-OE1 3.3Å; R141-E161 PolarHBondContact NH1-OE1 2.7Å; R141-E161 IonicContact NH1-OE2 3.32Å; R141-E161 IonicContact NH2-OE1 2.83Å; R141-E161 PolarHBondContact NH2-OE1 3.12Å; R141-E161 IonicContact NH2-OE2 3.63Å; R141-E161 PolarHBondContact NH2-OE2 3.12Å; E145-E161 WeakPolarHBondContact CG-OE1 2.86Å; Y159-E161 HydrophobicContact CE1-CG 3.94Å; Y159-E161 WeakPolarHBondContact OH-CG 3.43Å; Y159-E161 PolarHBondContact OH-OE1 3.12Å; Y159-E161 VanDerWaalsContact OH-OE1 3.09Å; E161-N169 WeakPolarHBondContact O-CB 3.32Å; E161-N169 PolarHBondContact O-ND2 3.18Å |
| 162 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 152.9 | -171.2 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | L25 C131 G132 N133 K134 S135 F160 N168 N169 A173 | L25-T162 HydrophobicContact CD1-CG2 4.45Å; C131-T162 HydrophobicContact CB-CG2 4.41Å; G132-T162 PolarHBondContact O-N 2.95Å; N133-T162 CarbonylContact C-O 3.47Å; N133-T162 VanDerWaalsContact CA-O 3.29Å; N133-T162 WeakPolarHBondContact CA-O 3.43Å; N133-T162 WeakPolarHBondContact CA-OG1 3.41Å; N133-T162 PolarHBondContact OD1-O 3.1Å; N133-T162 PolarHBondContact OD1-OG1 3.26Å; K134-T162 PolarHBondContact N-O 2.88Å; S135-T162 PolarHBondContact N-O 3.4Å; S135-T162 VanDerWaalsContact OG-C 3.25Å; S135-T162 PolarHBondContact OG-O 2.89Å; S135-T162 VanDerWaalsContact OG-O 3.12Å; F160-T162 HydrophobicContact CB-CG2 4.01Å; T162-N168 VanDerWaalsContact CA-O 3.29Å; T162-N168 WeakPolarHBondContact CA-O 3.46Å; T162-N169 HydrophobicContact CG2-CB 4Å; T162-A173 HydrophobicContact CG2-CB 4.27Å |
| 163 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -130.6 | 114.4 | 167 | 170.7 | 0 | 0 | 0 | 0 | 109.8 | D136 A165 N166 G167 N168 V170 | D136-S163 WeakPolarHBondContact OD1-CB 3.43Å; D136-S163 PolarHBondContact OD1-OG 3.18Å; S163-A165 PolarHBondContact O-N 3.3Å; S163-A165 PolarHBondContact OG-N 2.8Å; S163-A165 VanDerWaalsContact OG-N 3.13Å; S163-N166 VanDerWaalsContact CB-OD1 3.25Å; S163-N166 WeakPolarHBondContact CB-OD1 3.07Å; S163-N166 PolarHBondContact OG-N 2.93Å; S163-N166 PolarHBondContact OG-OD1 3.48Å; S163-G167 CarbonylContact O-C 3.54Å; S163-G167 WeakPolarHBondContact O-CA 3.41Å; S163-G167 PolarHBondContact O-N 3.37Å; S163-N168 PolarHBondContact N-O 3.37Å; S163-N168 PolarHBondContact O-N 3.19Å; S163-V170 WeakPolarHBondContact O-CG2 3.31Å | ||
| 164 | A | 97.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L25 Q28 F34 N133 | L25-A164 HydrophobicContact CB-CB 4.33Å; Q28-A164 WeakPolarHBondContact CG-O 3.02Å; F34-A164 HydrophobicContact CD2-CB 4.33Å; F34-A164 VanDerWaalsContact CD2-O 3.29Å; F34-A164 WeakPolarHBondContact CD2-O 3.34Å; F34-A164 HydrophobicContact CE2-CB 4.42Å; N133-A164 PolarHBondContact OD1-N 2.93Å |
| 165 | A | 96.9 | Very high | 97.8 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 30% | 0.298 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -38.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | F34 D136 S163 | F34-A165 HydrophobicContact CD1-CB 4.2Å; F34-A165 HydrophobicContact CD2-CB 4.32Å; F34-A165 HydrophobicContact CE1-CB 4.17Å; F34-A165 HydrophobicContact CE2-CB 4.29Å; F34-A165 HydrophobicContact CG-CB 4.27Å; F34-A165 HydrophobicContact CZ-CB 4.21Å; D136-A165 WeakPolarHBondContact OD2-CB 3.37Å; S163-A165 PolarHBondContact O-N 3.3Å; S163-A165 PolarHBondContact OG-N 2.8Å; S163-A165 VanDerWaalsContact OG-N 3.13Å |
| 166 | N | 96.4 | Very high | 97.9 | Very high | 99 Ų | 99 | 37.8 Ų | 37.8 | 53% | 0.529 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -5.7 | -179.7 | 66.5 | 30.6 | 0 | 0 | 0 | 114.1 | S163 N168 | S163-N166 VanDerWaalsContact CB-OD1 3.25Å; S163-N166 WeakPolarHBondContact CB-OD1 3.07Å; S163-N166 PolarHBondContact OG-N 2.93Å; S163-N166 PolarHBondContact OG-OD1 3.48Å; N166-N168 WeakPolarHBondContact OD1-CB 3.47Å; N166-N168 PolarHBondContact OD1-N 2.87Å |
| 167 | G | 97.5 | Very high | 98 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 24% | 0.237 | 19% | 0.194 | C | C | . | . | trans | 87.1 | 0.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S163 N169 V170 | S163-G167 CarbonylContact O-C 3.54Å; S163-G167 WeakPolarHBondContact O-CA 3.41Å; S163-G167 PolarHBondContact O-N 3.37Å; G167-N169 PolarHBondContact O-N 3.01Å; G167-V170 PolarHBondContact O-N 3.11Å; G167-V170 VanDerWaalsContact O-N 3.16Å | ||
| 168 | N | 98.4 | Very high | 98 | Very high | 77 Ų | 77 | 33.6 Ų | 33.6 | 41% | 0.412 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 128.3 | -178.6 | -175.3 | 27.6 | 0 | 0 | 0 | 111.4 | T162 S163 N166 V170 | T162-N168 VanDerWaalsContact CA-O 3.29Å; T162-N168 WeakPolarHBondContact CA-O 3.46Å; S163-N168 PolarHBondContact N-O 3.37Å; S163-N168 PolarHBondContact O-N 3.19Å; N166-N168 WeakPolarHBondContact OD1-CB 3.47Å; N166-N168 PolarHBondContact OD1-N 2.87Å; N168-V170 PolarHBondContact O-N 3.03Å |
| 169 | N | 98.3 | Very high | 97.8 | Very high | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 2.5 | -175.3 | -67.1 | -47.2 | 0 | 0 | 0 | 117.7 | F160 E161 T162 G167 S171 K172 A173 | F160-N169 HydrophobicContact CB-CB 4.3Å; E161-N169 WeakPolarHBondContact O-CB 3.32Å; E161-N169 PolarHBondContact O-ND2 3.18Å; T162-N169 HydrophobicContact CG2-CB 4Å; G167-N169 PolarHBondContact O-N 3.01Å; N169-S171 PolarHBondContact O-N 2.95Å; N169-K172 HydrophobicContact CB-CB 4.45Å; N169-K172 WeakPolarHBondContact O-CB 3.49Å; N169-K172 PolarHBondContact O-N 2.87Å; N169-K172 VanDerWaalsContact O-N 3.15Å; N169-K172 WeakPolarHBondContact OD1-CD 3.3Å; N169-A173 PolarHBondContact O-N 3.14Å |
| 170 | V | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -51.8 | -175.6 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L25 Q28 Y29 S163 G167 N168 I174 | L25-V170 HydrophobicContact CD2-CG1 4.19Å; L25-V170 HydrophobicContact CG-CG1 4.09Å; L25-V170 HydrophobicContact CG-CG2 4.29Å; Q28-V170 HydrophobicContact CB-CG1 4.48Å; Q28-V170 HydrophobicContact CG-CG1 4.47Å; Q28-V170 HydrophobicContact CG-CG2 4.3Å; Y29-V170 HydrophobicContact CD2-CG1 4.48Å; S163-V170 WeakPolarHBondContact O-CG2 3.31Å; G167-V170 PolarHBondContact O-N 3.11Å; G167-V170 VanDerWaalsContact O-N 3.16Å; N168-V170 PolarHBondContact O-N 3.03Å; V170-I174 HydrophobicContact CG1-CD1 4.43Å; V170-I174 PolarHBondContact O-N 3.17Å |
| 171 | S | 97.6 | Very high | 97.4 | Very high | 57 Ų | 57 | 33.5 Ų | 33.5 | 40% | 0.399 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.9 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | N169 A173 I174 D175 | N169-S171 PolarHBondContact O-N 2.95Å; S171-A173 VanDerWaalsContact C-N 3.31Å; S171-A173 PolarHBondContact O-N 2.96Å; S171-I174 PolarHBondContact O-N 3.05Å; S171-I174 VanDerWaalsContact O-N 3.14Å; S171-D175 VanDerWaalsContact O-CB 3.29Å; S171-D175 WeakPolarHBondContact O-CB 3.4Å; S171-D175 PolarHBondContact O-N 3.32Å |
| 172 | K | 98.1 | Very high | 97.2 | Very high | 121 Ų | 121 | 32.4 Ų | 32.4 | 53% | 0.526 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.8 | -41.5 | -177.7 | -166 | -175.5 | -176.1 | -170.5 | 0 | 112.3 | F160 N169 T176 | F160-K172 HydrophobicContact CD1-CD 4Å; F160-K172 HydrophobicContact CD1-CG 4.32Å; F160-K172 HydrophobicContact CE1-CD 3.66Å; F160-K172 HydrophobicContact CE1-CG 3.82Å; F160-K172 HydrophobicContact CZ-CG 4.32Å; N169-K172 HydrophobicContact CB-CB 4.45Å; N169-K172 WeakPolarHBondContact O-CB 3.49Å; N169-K172 PolarHBondContact O-N 2.87Å; N169-K172 VanDerWaalsContact O-N 3.15Å; N169-K172 WeakPolarHBondContact OD1-CD 3.3Å; K172-T176 VanDerWaalsContact O-CB 3.26Å; K172-T176 WeakPolarHBondContact O-CB 3.45Å; K172-T176 PolarHBondContact O-N 2.82Å; K172-T176 PolarHBondContact O-OG1 3.39Å |
| 173 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V129 F160 T162 N169 S171 T176 L177 | V129-A173 HydrophobicContact CG1-CB 4.12Å; F160-A173 HydrophobicContact CB-CB 4.25Å; F160-A173 HydrophobicContact CD2-CB 3.69Å; F160-A173 HydrophobicContact CE2-CB 4.36Å; F160-A173 HydrophobicContact CG-CB 4.11Å; T162-A173 HydrophobicContact CG2-CB 4.27Å; N169-A173 PolarHBondContact O-N 3.14Å; S171-A173 VanDerWaalsContact C-N 3.31Å; S171-A173 PolarHBondContact O-N 2.96Å; A173-T176 PolarHBondContact O-N 3.38Å; A173-L177 PolarHBondContact O-N 3.22Å |
| 174 | I | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.4 | -41.2 | -178.5 | -64.1 | 171.7 | 0 | 0 | 0 | 111.6 | F12 L25 Y29 L96 V170 S171 T176 L177 L178 | F12-I174 HydrophobicContact CD2-CG2 4.14Å; F12-I174 HydrophobicContact CE2-CG2 3.87Å; L25-I174 HydrophobicContact CD2-CD1 3.94Å; Y29-I174 HydrophobicContact CD1-CD1 3.71Å; Y29-I174 HydrophobicContact CD1-CG2 4.3Å; Y29-I174 HydrophobicContact CD2-CB 4.32Å; Y29-I174 HydrophobicContact CD2-CD1 3.62Å; Y29-I174 HydrophobicContact CE1-CD1 4.23Å; Y29-I174 HydrophobicContact CE1-CG2 3.73Å; Y29-I174 HydrophobicContact CE2-CB 3.99Å; Y29-I174 HydrophobicContact CE2-CD1 4.15Å; Y29-I174 HydrophobicContact CE2-CG2 3.99Å; Y29-I174 HydrophobicContact CG-CD1 3.35Å; L96-I174 HydrophobicContact CD1-CD1 4.27Å; L96-I174 HydrophobicContact CD1-CG1 3.84Å; L96-I174 HydrophobicContact CD2-CG1 4.01Å; V170-I174 HydrophobicContact CG1-CD1 4.43Å; V170-I174 PolarHBondContact O-N 3.17Å; S171-I174 PolarHBondContact O-N 3.05Å; S171-I174 VanDerWaalsContact O-N 3.14Å; I174-T176 VanDerWaalsContact C-N 3.31Å; I174-T176 PolarHBondContact O-N 3.5Å; I174-L177 PolarHBondContact O-N 2.93Å; I174-L178 PolarHBondContact O-N 3.36Å |
| 175 | D | 97 | Very high | 95.9 | Very high | 75 Ų | 75 | 40.9 Ų | 40.9 | 40% | 0.401 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70 | -30.4 | 178.7 | -58.4 | -22.7 | 0 | 0 | 0 | 110.8 | Y29 S171 L178 D179 | Y29-D175 PolarHBondContact OH-OD1 3.4Å; S171-D175 VanDerWaalsContact O-CB 3.29Å; S171-D175 WeakPolarHBondContact O-CB 3.4Å; S171-D175 PolarHBondContact O-N 3.32Å; D175-L178 PolarHBondContact O-N 3.22Å; D175-D179 WeakPolarHBondContact O-CB 3.42Å; D175-D179 PolarHBondContact O-N 2.96Å |
| 176 | T | 97.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.2 | -43.7 | 169.8 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | V129 P158 F160 K172 A173 I174 L178 D179 L180 | V129-T176 HydrophobicContact CG2-CG2 4.37Å; P158-T176 HydrophobicContact CB-CG2 4.15Å; P158-T176 HydrophobicContact CG-CG2 4.07Å; F160-T176 HydrophobicContact CE2-CG2 3.99Å; F160-T176 HydrophobicContact CZ-CG2 4.06Å; F160-T176 WeakPolarHBondContact CZ-OG1 3.31Å; K172-T176 VanDerWaalsContact O-CB 3.26Å; K172-T176 WeakPolarHBondContact O-CB 3.45Å; K172-T176 PolarHBondContact O-N 2.82Å; K172-T176 PolarHBondContact O-OG1 3.39Å; A173-T176 PolarHBondContact O-N 3.38Å; I174-T176 VanDerWaalsContact C-N 3.31Å; I174-T176 PolarHBondContact O-N 3.5Å; T176-L178 VanDerWaalsContact C-N 3.29Å; T176-L178 PolarHBondContact O-N 3.34Å; T176-D179 PolarHBondContact O-N 2.97Å; T176-L180 WeakPolarHBondContact O-CG 3.45Å; T176-L180 PolarHBondContact O-N 3.27Å |
| 177 | L | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.2 | -178.5 | 59.8 | 0 | 0 | 0 | 111.4 | F12 L96 D127 V129 A173 I174 I181 | F12-L177 HydrophobicContact CB-CD2 4.26Å; F12-L177 HydrophobicContact CD1-CD2 3.92Å; F12-L177 HydrophobicContact CD1-CG 4.23Å; F12-L177 HydrophobicContact CD2-CD2 3.85Å; F12-L177 HydrophobicContact CD2-CG 4.43Å; F12-L177 HydrophobicContact CE1-CD2 4.25Å; F12-L177 HydrophobicContact CE1-CG 4.07Å; F12-L177 HydrophobicContact CE2-CB 4.41Å; F12-L177 HydrophobicContact CE2-CD2 4.14Å; F12-L177 HydrophobicContact CE2-CG 4.24Å; F12-L177 HydrophobicContact CG-CD2 3.75Å; F12-L177 HydrophobicContact CG-CG 4.44Å; F12-L177 HydrophobicContact CZ-CB 4.46Å; F12-L177 HydrophobicContact CZ-CD2 4.36Å; F12-L177 HydrophobicContact CZ-CG 4.08Å; L96-L177 HydrophobicContact CD2-CB 4.5Å; L96-L177 HydrophobicContact CD2-CD2 3.75Å; L96-L177 HydrophobicContact CG-CD2 3.78Å; D127-L177 HydrophobicContact CB-CD1 4.04Å; D127-L177 WeakPolarHBondContact O-CD1 3.19Å; V129-L177 HydrophobicContact CB-CB 4.45Å; V129-L177 HydrophobicContact CG2-CB 3.77Å; V129-L177 HydrophobicContact CG2-CD1 4.15Å; A173-L177 PolarHBondContact O-N 3.22Å; I174-L177 PolarHBondContact O-N 2.93Å; L177-I181 HydrophobicContact CD1-CD1 3.91Å; L177-I181 HydrophobicContact CG-CD1 3.99Å; L177-I181 WeakPolarHBondContact O-CD1 3.46Å; L177-I181 WeakPolarHBondContact O-CG1 3.45Å; L177-I181 PolarHBondContact O-N 2.94Å |
| 178 | L | 96.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 173.7 | -179.2 | 57.5 | 0 | 0 | 0 | 111.8 | I10 F12 V51 Y53 I68 L70 I174 D175 T176 L180 I181 M182 | I10-L178 HydrophobicContact CG1-CD1 4.36Å; I10-L178 HydrophobicContact CG2-CD1 4.32Å; F12-L178 HydrophobicContact CE2-CB 4.37Å; F12-L178 HydrophobicContact CZ-CB 3.9Å; F12-L178 HydrophobicContact CZ-CD1 4.19Å; V51-L178 HydrophobicContact CG2-CD2 3.97Å; Y53-L178 HydrophobicContact CD2-CD2 4.38Å; Y53-L178 HydrophobicContact CD2-CG 4.29Å; I68-L178 HydrophobicContact CG1-CD1 4.46Å; I68-L178 HydrophobicContact CG1-CD2 4.39Å; I68-L178 HydrophobicContact CG2-CD1 4.14Å; L70-L178 HydrophobicContact CD2-CD1 4.32Å; I174-L178 PolarHBondContact O-N 3.36Å; D175-L178 PolarHBondContact O-N 3.22Å; T176-L178 VanDerWaalsContact C-N 3.29Å; T176-L178 PolarHBondContact O-N 3.34Å; L178-L180 PolarHBondContact O-N 3.07Å; L178-I181 PolarHBondContact O-N 3.18Å; L178-I181 VanDerWaalsContact O-N 3.11Å; L178-M182 HydrophobicContact CD1-CG 3.8Å; L178-M182 HydrophobicContact CD1-SD 3.94Å; L178-M182 HydrophobicContact CG-CG 4.17Å; L178-M182 VanDerWaalsContact O-CG 3.31Å; L178-M182 WeakPolarHBondContact O-CG 3.39Å; L178-M182 PolarHBondContact O-N 3.1Å |
| 179 | D | 95.4 | Very high | 92.7 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.5 | -42.7 | 178.5 | 176.1 | 75.1 | 0 | 0 | 0 | 112.9 | Y53 D175 T176 I181 K183 | Y53-D179 HydrophobicContact CE2-CB 4.28Å; Y53-D179 PolarHBondContact OH-OD1 3.15Å; D175-D179 WeakPolarHBondContact O-CB 3.42Å; D175-D179 PolarHBondContact O-N 2.96Å; T176-D179 PolarHBondContact O-N 2.97Å; D179-I181 VanDerWaalsContact C-N 3.32Å; D179-I181 PolarHBondContact O-N 3.08Å; D179-K183 WeakPolarHBondContact O-CB 3.28Å; D179-K183 VanDerWaalsContact O-CG 3.29Å; D179-K183 WeakPolarHBondContact O-CG 3.37Å; D179-K183 PolarHBondContact O-N 3.41Å; D179-K183 WeakPolarHBondContact OD1-CE 3.2Å; D179-K183 IonicContact OD1-NZ 2.75Å; D179-K183 PolarHBondContact OD1-NZ 3.25Å; D179-K183 WeakPolarHBondContact OD2-CE 3.4Å; D179-K183 IonicContact OD2-NZ 3.63Å; D179-K183 PolarHBondContact OD2-NZ 3.22Å |
| 180 | L | 95 | Very high | 91 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.9 | -46.6 | 173.5 | -70.9 | 176.6 | 0 | 0 | 0 | 112 | D127 V129 P158 T176 L178 R184 | D127-L180 HydrophobicContact CB-CB 4.32Å; D127-L180 HydrophobicContact CB-CD1 4.48Å; V129-L180 HydrophobicContact CG2-CD1 4.38Å; P158-L180 HydrophobicContact CG-CD1 4.08Å; T176-L180 WeakPolarHBondContact O-CG 3.45Å; T176-L180 PolarHBondContact O-N 3.27Å; L178-L180 PolarHBondContact O-N 3.07Å; L180-R184 WeakPolarHBondContact O-CB 3.45Å; L180-R184 PolarHBondContact O-N 3.01Å |
| 181 | I | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73 | -41.5 | -174.3 | -70.3 | 164 | 0 | 0 | 0 | 111.2 | I10 F12 M93 D127 L177 L178 D179 R184 M185 | I10-I181 HydrophobicContact CD1-CG2 4.24Å; F12-I181 HydrophobicContact CD1-CD1 3.96Å; F12-I181 HydrophobicContact CE1-CD1 3.36Å; F12-I181 HydrophobicContact CZ-CD1 4.22Å; M93-I181 HydrophobicContact CB-CD1 4.39Å; M93-I181 HydrophobicContact CB-CG2 4.44Å; D127-I181 HydrophobicContact CB-CD1 4.25Å; D127-I181 HydrophobicContact CB-CG1 3.85Å; D127-I181 WeakPolarHBondContact OD2-CA 3.44Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.48Å; L177-I181 HydrophobicContact CD1-CD1 3.91Å; L177-I181 HydrophobicContact CG-CD1 3.99Å; L177-I181 WeakPolarHBondContact O-CD1 3.46Å; L177-I181 WeakPolarHBondContact O-CG1 3.45Å; L177-I181 PolarHBondContact O-N 2.94Å; L178-I181 PolarHBondContact O-N 3.18Å; L178-I181 VanDerWaalsContact O-N 3.11Å; D179-I181 VanDerWaalsContact C-N 3.32Å; D179-I181 PolarHBondContact O-N 3.08Å; I181-R184 WeakPolarHBondContact O-CB 3.48Å; I181-R184 PolarHBondContact O-N 3.04Å; I181-M185 HydrophobicContact CG2-CE 4.31Å; I181-M185 WeakPolarHBondContact O-CG 3.47Å; I181-M185 PolarHBondContact O-N 3.18Å |
| 182 | M | 92.8 | Very high | 86.6 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.2 | -61.4 | -48.4 | -70.1 | 0 | 0 | 110.7 | Y8 I10 Y53 I68 L178 R184 M185 E186 | Y8-M182 HydrophobicContact CD1-CE 4.44Å; Y8-M182 HydrophobicContact CD2-CE 3.86Å; Y8-M182 HydrophobicContact CE2-CE 4.03Å; Y8-M182 HydrophobicContact CG-CE 4.09Å; I10-M182 HydrophobicContact CD1-SD 4.13Å; I10-M182 HydrophobicContact CG1-SD 4.4Å; Y53-M182 HydrophobicContact CD1-CB 4.11Å; Y53-M182 HydrophobicContact CD1-CE 4.29Å; Y53-M182 HydrophobicContact CD1-CG 3.83Å; Y53-M182 HydrophobicContact CD2-CG 4.23Å; Y53-M182 HydrophobicContact CE1-CB 3.6Å; Y53-M182 HydrophobicContact CE1-CG 3.85Å; Y53-M182 HydrophobicContact CE2-CB 4.32Å; Y53-M182 HydrophobicContact CE2-CG 4.26Å; Y53-M182 HydrophobicContact CG-CG 4.02Å; I68-M182 HydrophobicContact CD1-CE 3.75Å; I68-M182 HydrophobicContact CD1-SD 4.07Å; L178-M182 HydrophobicContact CD1-CG 3.8Å; L178-M182 HydrophobicContact CD1-SD 3.94Å; L178-M182 HydrophobicContact CG-CG 4.17Å; L178-M182 VanDerWaalsContact O-CG 3.31Å; L178-M182 WeakPolarHBondContact O-CG 3.39Å; L178-M182 PolarHBondContact O-N 3.1Å; M182-R184 PolarHBondContact O-N 2.98Å; M182-M185 HydrophobicContact CE-SD 4.5Å; M182-M185 WeakPolarHBondContact O-CB 3.36Å; M182-M185 PolarHBondContact O-N 3.2Å; M182-M185 VanDerWaalsContact O-N 3.1Å; M182-M185 HydrophobicContact SD-SD 4.22Å; M182-E186 WeakPolarHBondContact O-CG 3.41Å; M182-E186 PolarHBondContact O-N 3.3Å |
| 183 | K | 90.9 | Very high | 84.2 | Confident | 93 Ų | 93 | 65.2 Ų | 65.2 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.9 | -28.8 | 173.5 | -74.2 | 170.9 | 176.5 | 164.5 | 0 | 113.4 | D179 R187 | D179-K183 WeakPolarHBondContact O-CB 3.28Å; D179-K183 VanDerWaalsContact O-CG 3.29Å; D179-K183 WeakPolarHBondContact O-CG 3.37Å; D179-K183 PolarHBondContact O-N 3.41Å; D179-K183 WeakPolarHBondContact OD1-CE 3.2Å; D179-K183 IonicContact OD1-NZ 2.75Å; D179-K183 PolarHBondContact OD1-NZ 3.25Å; D179-K183 WeakPolarHBondContact OD2-CE 3.4Å; D179-K183 IonicContact OD2-NZ 3.63Å; D179-K183 PolarHBondContact OD2-NZ 3.22Å; K183-R187 VanDerWaalsContact O-CG 3.3Å; K183-R187 WeakPolarHBondContact O-CG 3.34Å; K183-R187 PolarHBondContact O-N 3.21Å; K183-R187 PolarHBondContact O-NE 3.41Å |
| 184 | R | 90.1 | Very high | 81.6 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 16% | 0.158 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74.7 | -40.2 | 173.4 | -171.7 | 175.4 | 61 | -173.3 | -0.2 | 111.5 | M93 Y122 D127 L180 I181 M182 R187 C188 | M93-R184 PolarHBondContact O-NH2 3.41Å; Y122-R184 PolarHBondContact OH-NH1 2.62Å; Y122-R184 PolarHBondContact OH-NH2 3.46Å; D127-R184 IonicContact OD1-CZ 2.99Å; D127-R184 IonicContact OD1-NE 3.69Å; D127-R184 IonicContact OD1-NH1 3.71Å; D127-R184 PolarHBondContact OD1-NH1 3.01Å; D127-R184 IonicContact OD2-CZ 2.65Å; D127-R184 IonicContact OD2-NE 2.67Å; D127-R184 PolarHBondContact OD2-NE 3.26Å; D127-R184 IonicContact OD2-NH1 3.7Å; D127-R184 PolarHBondContact OD2-NH1 3.34Å; D127-R184 IonicContact OD2-NH2 3.47Å; D127-R184 PolarHBondContact OD2-NH2 2.83Å; L180-R184 WeakPolarHBondContact O-CB 3.45Å; L180-R184 PolarHBondContact O-N 3.01Å; I181-R184 WeakPolarHBondContact O-CB 3.48Å; I181-R184 PolarHBondContact O-N 3.04Å; M182-R184 PolarHBondContact O-N 2.98Å; R184-R187 PolarHBondContact O-N 3.26Å; R184-C188 PolarHBondContact O-N 3.23Å; R184-C188 VanDerWaalsContact O-N 3.14Å; R184-C188 PolarHBondContact O-SG 3.43Å; R184-C188 VanDerWaalsContact O-SG 3.37Å |
| 185 | M | 87.6 | Confident | 78.9 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 23% | 0.232 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 173.2 | -72.1 | -174.3 | 171.1 | 0 | 0 | 112 | Y8 I10 M93 I181 M182 R187 C188 V189 | Y8-M185 HydrophobicContact CD1-SD 4.11Å; Y8-M185 HydrophobicContact CE1-SD 4.4Å; I10-M185 HydrophobicContact CD1-CE 3.28Å; I10-M185 HydrophobicContact CD1-SD 4.02Å; M93-M185 HydrophobicContact CE-CE 3.25Å; M93-M185 HydrophobicContact SD-CE 4.13Å; I181-M185 HydrophobicContact CG2-CE 4.31Å; I181-M185 WeakPolarHBondContact O-CG 3.47Å; I181-M185 PolarHBondContact O-N 3.18Å; M182-M185 HydrophobicContact CE-SD 4.5Å; M182-M185 WeakPolarHBondContact O-CB 3.36Å; M182-M185 PolarHBondContact O-N 3.2Å; M182-M185 VanDerWaalsContact O-N 3.1Å; M182-M185 HydrophobicContact SD-SD 4.22Å; M185-R187 PolarHBondContact O-N 3.13Å; M185-C188 WeakPolarHBondContact O-CB 3.12Å; M185-C188 PolarHBondContact O-N 3.23Å; M185-V189 WeakPolarHBondContact O-CG2 3.1Å; M185-V189 PolarHBondContact O-N 3.31Å |
| 186 | E | 85.4 | Confident | 76.4 | Confident | 71 Ų | 71 | 81.8 Ų | 81.8 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -53.4 | -51.7 | 177.6 | -71.1 | 168.3 | 172.8 | 0 | 0 | 111 | M182 C188 V189 D190 | M182-E186 WeakPolarHBondContact O-CG 3.41Å; M182-E186 PolarHBondContact O-N 3.3Å; E186-C188 PolarHBondContact O-N 3.17Å; E186-V189 PolarHBondContact O-N 3.14Å; E186-V189 VanDerWaalsContact O-N 3.11Å; E186-D190 PolarHBondContact O-N 3.35Å |
| 187 | R | 84.2 | Confident | 74.1 | Confident | 148 Ų | 148 | 83.6 Ų | 83.6 | 56% | 0.558 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.7 | -26.3 | 176.7 | -73 | 178.5 | -68.3 | 166.6 | 0.3 | 114.7 | K183 R184 M185 K191 | K183-R187 VanDerWaalsContact O-CG 3.3Å; K183-R187 WeakPolarHBondContact O-CG 3.34Å; K183-R187 PolarHBondContact O-N 3.21Å; K183-R187 PolarHBondContact O-NE 3.41Å; R184-R187 PolarHBondContact O-N 3.26Å; M185-R187 PolarHBondContact O-N 3.13Å; R187-K191 WeakPolarHBondContact O-CG 3.43Å |
| 188 | C | 78.9 | Confident | 71.6 | Confident | 83 Ų | 83 | 89.3 Ų | 89.3 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -80.6 | -37.2 | 175.5 | -74.5 | 0 | 0 | 0 | 0 | 111.9 | R184 M185 E186 S192 | R184-C188 PolarHBondContact O-N 3.23Å; R184-C188 VanDerWaalsContact O-N 3.14Å; R184-C188 PolarHBondContact O-SG 3.43Å; R184-C188 VanDerWaalsContact O-SG 3.37Å; M185-C188 WeakPolarHBondContact O-CB 3.12Å; M185-C188 PolarHBondContact O-N 3.23Å; E186-C188 PolarHBondContact O-N 3.17Å; C188-S192 PolarHBondContact O-N 3.36Å |
| 189 | V | 73 | Confident | 68.9 | Low | 88 Ų | 88 | 95.2 Ų | 95.2 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -48.5 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | M185 E186 K191 S192 | M185-V189 WeakPolarHBondContact O-CG2 3.1Å; M185-V189 PolarHBondContact O-N 3.31Å; E186-V189 PolarHBondContact O-N 3.14Å; E186-V189 VanDerWaalsContact O-N 3.11Å; V189-K191 VanDerWaalsContact C-N 3.28Å; V189-K191 PolarHBondContact O-N 3.07Å; V189-S192 WeakPolarHBondContact O-CB 3.4Å; V189-S192 PolarHBondContact O-N 3.5Å; V189-S192 PolarHBondContact O-OG 3.34Å |
| 190 | D | 62.3 | Low | 66.1 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.2 | -38.4 | -178.4 | -70.5 | -22.9 | 0 | 0 | 0 | 112.7 | E186 S192 W193 | E186-D190 PolarHBondContact O-N 3.35Å; D190-S192 VanDerWaalsContact C-N 3.32Å; D190-S192 PolarHBondContact O-N 3.37Å; D190-W193 PolarHBondContact O-N 2.93Å |
| 191 | K | 52.1 | Low | 63.2 | Low | 160 Ų | 160 | 106.7 Ų | 106.7 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.2 | -31.7 | 176.7 | -74.2 | 179.5 | 179.1 | -174.3 | 0 | 113.1 | R187 V189 W193 I194 | R187-K191 WeakPolarHBondContact O-CG 3.43Å; V189-K191 VanDerWaalsContact C-N 3.28Å; V189-K191 PolarHBondContact O-N 3.07Å; K191-W193 PolarHBondContact O-N 3.24Å; K191-I194 PolarHBondContact O-N 3.24Å |
| 192 | S | 53.1 | Low | 60.3 | Low | 88 Ų | 88 | 114.8 Ų | 114.8 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67 | -15.1 | 176.5 | 76.9 | 0 | 0 | 0 | 0 | 113.9 | C188 V189 D190 | C188-S192 PolarHBondContact O-N 3.36Å; V189-S192 WeakPolarHBondContact O-CB 3.4Å; V189-S192 PolarHBondContact O-N 3.5Å; V189-S192 PolarHBondContact O-OG 3.34Å; D190-S192 VanDerWaalsContact C-N 3.32Å; D190-S192 PolarHBondContact O-N 3.37Å |
| 193 | W | 46 | Very low | 57.3 | Low | 222 Ų | 222 | 118.6 Ų | 118.6 | 84% | 0.841 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -2.4 | 179 | -97.2 | 47.4 | 0 | 0 | 0 | 114.2 | D190 K191 P195 | D190-W193 PolarHBondContact O-N 2.93Å; K191-W193 PolarHBondContact O-N 3.24Å; W193-P195 WeakPolarHBondContact O-CD 3.17Å |
| 194 | I | 44.6 | Very low | 54.5 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -97.8 | 96.7 | 172.6 | -52.9 | 176 | 0 | 0 | 0 | 108.2 | K191 E196 | K191-I194 PolarHBondContact O-N 3.24Å; I194-E196 PolarHBondContact O-N 3.35Å |
| 195 | P | 42.6 | Very low | 51.6 | Low | 87 Ų | 87 | 126.6 Ų | 126.6 | 57% | 0.565 | 69% | 0.688 | S | S | * | * | trans | -64.2 | 128.5 | 168.9 | 27.2 | -33.7 | 0 | 0 | 0 | 109.5 | W193 G197 V198 | W193-P195 WeakPolarHBondContact O-CD 3.17Å; P195-G197 PolarHBondContact O-N 3.31Å; P195-V198 HydrophobicContact CG-CG2 4.29Å | ||
| 196 | E | 44.3 | Very low | 48.8 | Very low | 207 Ų | 207 | 129.4 Ų | 129.4 | 97% | 0.967 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 104.7 | 170.4 | -68.2 | -174.4 | 144.3 | 0 | 0 | 109.4 | I194 | I194-E196 PolarHBondContact O-N 3.35Š|
| 197 | G | 49.3 | Very low | 46.1 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.5 | -6.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | P195 | P195-G197 PolarHBondContact O-N 3.31Š|
| 198 | V | 46 | Very low | 43.6 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | trans | -114.7 | 59.2 | -176.1 | -160.5 | 0 | 0 | 0 | 0 | 113.6 | P195 | P195-V198 HydrophobicContact CG-CG2 4.29Š| ||
| 199 | V | 39.5 | Very low | 41.5 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | -120.7 | 80.3 | 152.6 | -175 | 0 | 0 | 0 | 0 | 108.3 | S201 | V199-S201 PolarHBondContact O-N 2.94Š| ||
| 200 | R | 35.7 | Very low | 39.5 | Very low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -84.3 | 91.2 | 163.4 | -81.2 | -172.9 | 170.6 | -170.9 | -2.9 | 108.6 | N202 | R200-N202 PolarHBondContact O-N 3.35Å; R200-N202 VanDerWaalsContact O-N 3.14Å | ||
| 201 | S | 35.5 | Very low | 38.1 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -66.7 | 107.2 | 169.8 | -60.1 | 0 | 0 | 0 | 0 | 110 | V199 | V199-S201 PolarHBondContact O-N 2.94Š| ||
| 202 | N | 32.2 | Very low | 37.3 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -130.3 | 111.5 | 168.8 | -108.6 | 6.6 | 0 | 0 | 0 | 108.9 | R200 | R200-N202 PolarHBondContact O-N 3.35Å; R200-N202 VanDerWaalsContact O-N 3.14Å | ||
| 203 | G | 29.6 | Very low | 36.5 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -171.6 | 106.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 204 | H | 32.5 | Very low | 36.1 | Very low | 193 Ų | 193 | 146 Ų | 146 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | trans | -97.1 | 168.9 | -164.5 | -129.9 | -61.3 | 0 | 0 | 0 | 113.4 | ||||
| 205 | S | 29.9 | Very low | 35.7 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 91.5 | 140.7 | 168.6 | 76.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 206 | S | 28.9 | Very low | 35.7 | Very low | 106 Ų | 106 | 153.9 Ų | 153.9 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | cis | -162.1 | -179.4 | -22.5 | 61.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 207 | T | 28.2 | Very low | 35.2 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | cis | -155.8 | 165.7 | 7.2 | -25.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 208 | E | 31.7 | Very low | 34.9 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | 66.1 | 134.1 | 165.2 | -59.2 | 173.9 | -176.9 | 0 | 0 | 116.3 | ||||
| 209 | Q | 34.5 | Very low | 34.3 | Very low | 186 Ų | 186 | 154.9 Ų | 154.9 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | cis | -146.5 | 161 | 44.3 | -76.1 | 178.3 | -16.2 | 0 | 0 | 113.3 | ||||
| 210 | L | 31.6 | Very low | 34.3 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -78 | 146.5 | 175.8 | -65.8 | 145.5 | 0 | 0 | 0 | 111.4 | ||||
| 211 | N | 33.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 151 Ų | 151 | 89% | 0.893 | 85% | 0.851 | S | S | * | * | trans | -158.8 | 130 | 131.3 | -103.8 | -11.6 | 0 | 0 | 0 | 110.4 | ||||
| 212 | E | 34.8 | Very low | 34.6 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 85% | 0.846 | 86% | 0.857 | S | S | * | * | trans | -82.6 | 139.2 | 172.5 | -56.1 | 170.1 | 123.5 | 0 | 0 | 109.1 | ||||
| 213 | E | 37 | Very low | 34.7 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 85% | 0.846 | 85% | 0.854 | S | S | * | * | trans | -156.6 | 98.6 | 146 | -121.2 | 170.4 | -160.9 | 0 | 0 | 113.8 | ||||
| 214 | Q | 37.1 | Very low | 35 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 76% | 0.762 | 85% | 0.854 | S | S | * | * | trans | 50.5 | 116.7 | 142.7 | -59.6 | -173.2 | 14.1 | 0 | 0 | 121.4 | ||||
| 215 | E | 36.3 | Very low | 35.1 | Very low | 187 Ų | 187 | 154.1 Ų | 154.1 | 87% | 0.874 | 85% | 0.852 | S | S | * | * | trans | -55.6 | 146.4 | 151.7 | -58.3 | 177.5 | 112.7 | 0 | 0 | 112.5 | ||||
| 216 | K | 41.2 | Very low | 35.4 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 84% | 0.843 | 86% | 0.857 | S | S | * | * | trans | -157.5 | 100.7 | 140 | -113.3 | 161.6 | -165.3 | 163 | 0 | 111.2 | ||||
| 217 | G | 35.1 | Very low | 35.9 | Very low | 72 Ų | 72 | 160.3 Ų | 160.3 | 74% | 0.742 | 87% | 0.865 | S | S | * | * | trans | -74.4 | 152 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 218 | K | 41.6 | Very low | 36.4 | Very low | 216 Ų | 216 | 163.9 Ų | 163.9 | 94% | 0.939 | 88% | 0.878 | S | S | * | * | trans | -161.9 | 132.6 | 148.1 | -117.6 | 177.9 | -178.6 | -173.6 | 0 | 110.8 | ||||
| 219 | C | 34.6 | Very low | 36.8 | Very low | 132 Ų | 132 | 163.2 Ų | 163.2 | 89% | 0.892 | 88% | 0.884 | S | S | * | * | trans | -126.7 | 145.9 | 167.7 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 220 | G | 39.6 | Very low | 37 | Very low | 67 Ų | 67 | 161.3 Ų | 161.3 | 69% | 0.691 | 89% | 0.885 | S | S | * | * | trans | 87 | 100.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 221 | C | 41.7 | Very low | 37.5 | Very low | 214 Ų | 214 | 161.3 Ų | 161.3 | 100% | 1.446 | 89% | 0.889 | S | S | * | * | -132.7 | 0 | 114.1 | -76.1 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 221 of 221 residues in 480.3 ms
(Link to these results)