| 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 | 42.4 | Very low | 76.4 | Confident | 247 Ų | 247 | 88.3 Ų | 88.3 | 100% | 1.217 | 48% | 0.477 | S | S | * | . | 0 | 139.5 | 0 | -68.4 | 171.7 | 175.5 | 0 | 0 | 106.6 | |||||
| 2 | S | 44 | Very low | 78 | Confident | 99 Ų | 99 | 81 Ų | 81 | 69% | 0.692 | 44% | 0.438 | S | S | * | . | trans | -67.8 | 138.5 | -169.5 | 34.4 | 0 | 0 | 0 | 0 | 112.8 | G4 | S2-G4 PolarHBondContact O-N 3Š| ||
| 3 | D | 56.8 | Low | 79.3 | Confident | 145 Ų | 145 | 74.8 Ų | 74.8 | 78% | 0.775 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -78.4 | 20.3 | -172.6 | -153.3 | 20.7 | 0 | 0 | 0 | 114 | ||
| 4 | G | 58 | Low | 80.4 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | trans | -145.5 | 39.9 | -162 | 0 | 0 | 0 | 0 | 0 | 114.2 | S2 | S2-G4 PolarHBondContact O-N 3Š| ||
| 5 | D | 83.3 | Confident | 81.3 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 48% | 0.476 | 35% | 0.351 | S | S | . | . | trans | -113.5 | 32 | -179.9 | -150.2 | 33.3 | 0 | 0 | 0 | 113 | R67 | D5-R67 PolarHBondContact O-NH1 3.18Å; D5-R67 IonicContact OD1-CZ 3.81Å; D5-R67 IonicContact OD1-NH1 3.73Å; D5-R67 PolarHBondContact OD1-NH1 3.21Å | ||
| 6 | Y | 88.4 | Confident | 82.1 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | trans | -133.2 | 156.9 | 170.1 | 61.3 | -97.9 | 0 | 0 | 0 | 109.5 | Y8 L9 H69 | Y6-Y8 WeakPolarHBondContact CD2-O 3.19Å; Y6-L9 HydrophobicContact CD2-CB 4.49Å; Y6-L9 HydrophobicContact CE2-CB 3.73Å; Y6-H69 HydrophobicContact CD1-CB 3.63Å; Y6-H69 AromaticContact CD1-ND1 3.83Å; Y6-H69 HydrophobicContact CD2-CB 4.02Å; Y6-H69 HydrophobicContact CE1-CB 4.11Å; Y6-H69 HydrophobicContact CE2-CB 4.46Å; Y6-H69 HydrophobicContact CG-CB 3.58Å | ||
| 7 | D | 90.1 | Very high | 82.7 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -96 | -31.5 | -179.2 | -51.6 | -49.1 | 0 | 0 | 0 | 111.1 | R67 | D7-R67 PolarHBondContact N-O 2.86Å; D7-R67 IonicContact OD1-CZ 2.78Å; D7-R67 IonicContact OD1-NE 2.64Å; D7-R67 PolarHBondContact OD1-NE 3.3Å; D7-R67 IonicContact OD1-NH2 3.85Å; D7-R67 PolarHBondContact OD1-NH2 3.4Å; D7-R67 WeakPolarHBondContact OD2-CB 3.45Å; D7-R67 WeakPolarHBondContact OD2-CG 3.46Å; D7-R67 PolarHBondContact OD2-N 3.04Å; D7-R67 IonicContact OD2-NE 3.49Å; D7-R67 PolarHBondContact OD2-NE 3.07Å; D7-R67 VanDerWaalsContact OD2-NE 3.13Å |
| 8 | Y | 92.8 | Very high | 83.1 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 38% | 0.376 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.3 | 176.3 | -57.8 | -92 | 0 | 0 | 0 | 112.2 | Y6 Q66 R67 I68 H69 M182 M185 | Y6-Y8 WeakPolarHBondContact CD2-O 3.19Å; Y8-Q66 HydrophobicContact CD2-CB 4.24Å; Y8-Q66 HydrophobicContact CE2-CB 4.1Å; Y8-Q66 HydrophobicContact CE2-CG 4.13Å; Y8-R67 PolarHBondContact N-O 2.96Å; Y8-R67 VanDerWaalsContact N-O 3.13Å; Y8-I68 HydrophobicContact CD2-CD1 3.8Å; Y8-I68 HydrophobicContact CG-CD1 4.18Å; Y8-I68 WeakPolarHBondContact O-CA 3.48Å; Y8-H69 PolarHBondContact O-N 3.32Å; Y8-M182 HydrophobicContact CD1-CE 4.5Å; Y8-M182 HydrophobicContact CD2-CE 3.99Å; Y8-M182 HydrophobicContact CE2-CE 4.16Å; Y8-M182 HydrophobicContact CG-CE 4.18Å; Y8-M185 HydrophobicContact CD1-SD 4.45Å |
| 9 | L | 94.3 | Very high | 83.6 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.7 | 166.6 | 175.2 | 63.6 | 0 | 0 | 0 | 108.3 | Y6 H69 Q71 | Y6-L9 HydrophobicContact CD2-CB 4.49Å; Y6-L9 HydrophobicContact CE2-CB 3.73Å; L9-H69 HydrophobicContact CD1-CB 4.29Å; L9-H69 WeakPolarHBondContact CD1-O 3.5Å; L9-Q71 HydrophobicContact CD1-CG 3.92Å |
| 10 | I | 95.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.2 | -176.7 | -59.1 | -64.7 | 0 | 0 | 0 | 109.5 | F12 I68 H69 L70 Q71 M93 L178 I181 M182 M185 | I10-F12 HydrophobicContact CG2-CD1 3.91Å; I10-F12 HydrophobicContact CG2-CE1 3.23Å; I10-F12 HydrophobicContact CG2-CZ 3.72Å; I10-I68 HydrophobicContact CB-CG2 3.93Å; I10-I68 HydrophobicContact CG1-CG2 3.56Å; I10-H69 PolarHBondContact N-O 3.47Å; I10-L70 HydrophobicContact CB-CD2 4.08Å; I10-L70 HydrophobicContact CG2-CD2 4.16Å; I10-L70 WeakPolarHBondContact O-CA 3.29Å; I10-Q71 PolarHBondContact O-N 3.4Å; I10-M93 HydrophobicContact CB-SD 4.34Å; I10-M93 HydrophobicContact CD1-SD 3.67Å; I10-M93 HydrophobicContact CG2-SD 4.14Å; I10-L178 HydrophobicContact CG1-CD1 4.31Å; I10-L178 HydrophobicContact CG2-CD1 4.3Å; I10-I181 HydrophobicContact CD1-CG2 4.28Å; I10-I181 HydrophobicContact CG2-CG2 4.44Å; I10-M182 HydrophobicContact CD1-SD 4.15Å; I10-M182 HydrophobicContact CG1-SD 4.38Å; I10-M185 HydrophobicContact CD1-CE 3.4Å; I10-M185 HydrophobicContact CD1-SD 3.88Å |
| 11 | K | 94.9 | Very high | 84.7 | Confident | 51 Ų | 51 | 52 Ų | 52 | 22% | 0.222 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 117.1 | -176.5 | -67.4 | 176.8 | 174.6 | -176.8 | 0 | 111.1 | Q71 D91 M93 G94 | K11-Q71 WeakPolarHBondContact CA-O 3.45Å; K11-Q71 HydrophobicContact CG-CB 4.18Å; K11-D91 VanDerWaalsContact CD-O 3.23Å; K11-D91 WeakPolarHBondContact CD-O 3.15Å; K11-M93 PolarHBondContact O-N 2.86Å; K11-G94 PolarHBondContact O-N 2.84Å |
| 12 | F | 96 | Very high | 87.3 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 149.4 | 170 | -57.2 | -23.8 | 0 | 0 | 0 | 111.2 | I10 L70 Q71 L72 W73 G94 I174 L177 L178 I181 | I10-F12 HydrophobicContact CG2-CD1 3.91Å; I10-F12 HydrophobicContact CG2-CE1 3.23Å; I10-F12 HydrophobicContact CG2-CZ 3.72Å; F12-L70 HydrophobicContact CD2-CD2 4.39Å; F12-L70 HydrophobicContact CE2-CD2 3.77Å; F12-L70 HydrophobicContact CZ-CD2 3.94Å; F12-Q71 PolarHBondContact N-O 3.05Å; F12-L72 HydrophobicContact CB-CD2 4.05Å; F12-L72 HydrophobicContact CD2-CD2 3.68Å; F12-L72 HydrophobicContact CG-CD2 4.27Å; F12-W73 WeakPolarHBondContact O-CB 3.27Å; F12-W73 PolarHBondContact O-N 2.84Å; F12-G94 VanDerWaalsContact CA-O 3.3Å; F12-G94 WeakPolarHBondContact CA-O 3.2Å; F12-I174 HydrophobicContact CD2-CG2 4.2Å; F12-I174 HydrophobicContact CE2-CG2 3.93Å; F12-L177 HydrophobicContact CB-CD2 4.25Å; F12-L177 HydrophobicContact CD1-CD2 3.89Å; F12-L177 HydrophobicContact CD1-CG 4.17Å; F12-L177 HydrophobicContact CD2-CD2 3.89Å; F12-L177 HydrophobicContact CD2-CG 4.46Å; F12-L177 HydrophobicContact CE1-CD2 4.22Å; F12-L177 HydrophobicContact CE1-CG 4.02Å; F12-L177 HydrophobicContact CE2-CB 4.45Å; F12-L177 HydrophobicContact CE2-CD2 4.2Å; F12-L177 HydrophobicContact CE2-CG 4.28Å; F12-L177 HydrophobicContact CG-CD2 3.75Å; F12-L177 HydrophobicContact CG-CG 4.43Å; F12-L177 HydrophobicContact CZ-CB 4.45Å; F12-L177 HydrophobicContact CZ-CD2 4.37Å; F12-L177 HydrophobicContact CZ-CG 4.08Å; F12-L178 HydrophobicContact CE2-CB 4.38Å; F12-L178 HydrophobicContact CZ-CB 3.91Å; F12-L178 HydrophobicContact CZ-CD1 4.14Å; F12-I181 HydrophobicContact CD1-CD1 4.03Å; F12-I181 HydrophobicContact CE1-CD1 3.46Å; F12-I181 VanDerWaalsContact CE1-CD1 3.46Å; F12-I181 HydrophobicContact CZ-CD1 4.39Å |
| 13 | L | 94.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125.2 | 176.6 | -170.3 | 69.5 | 0 | 0 | 0 | 110.1 | L15 W73 T75 F88 F89 A92 G94 F95 L96 | L13-L15 HydrophobicContact CD2-CD1 4.23Å; L13-L15 HydrophobicContact CD2-CD2 3.87Å; L13-L15 HydrophobicContact CD2-CG 4.17Å; L13-L15 HydrophobicContact CG-CD2 4.02Å; L13-L15 HydrophobicContact CG-CG 4.16Å; L13-W73 HydrophobicContact CD1-CB 3.35Å; L13-W73 HydrophobicContact CD1-CG 4.34Å; L13-T75 HydrophobicContact CD1-CG2 3.4Å; L13-T75 HydrophobicContact CD2-CG2 4.37Å; L13-T75 HydrophobicContact CG-CG2 3.91Å; L13-F88 HydrophobicContact CD1-CB 4.43Å; L13-F88 HydrophobicContact CD2-CB 4.42Å; L13-F89 HydrophobicContact CD2-CD1 3.44Å; L13-F89 VanDerWaalsContact CD2-CD1 3.44Å; L13-F89 HydrophobicContact CD2-CE1 3.75Å; L13-A92 HydrophobicContact CB-CB 3.76Å; L13-A92 HydrophobicContact CD2-CB 4.41Å; L13-G94 PolarHBondContact N-O 3.5Å; L13-F95 HydrophobicContact CB-CD1 3.89Å; L13-F95 HydrophobicContact CB-CE1 4.09Å; L13-F95 HydrophobicContact CD2-CD1 4.14Å; L13-F95 HydrophobicContact CD2-CE1 3.84Å; L13-F95 HydrophobicContact CG-CD1 4.5Å; L13-F95 WeakPolarHBondContact O-CA 3.34Å; L13-L96 PolarHBondContact O-N 3.43Å |
| 14 | A | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K22 L26 W73 T75 L96 L98 | A14-K22 HydrophobicContact CB-CB 4.05Å; A14-K22 HydrophobicContact CB-CD 4.18Å; A14-K22 HydrophobicContact CB-CG 4.28Å; A14-L26 HydrophobicContact CB-CD1 3.9Å; A14-L26 HydrophobicContact CB-CD2 4.47Å; A14-L26 HydrophobicContact CB-CG 4.27Å; A14-W73 PolarHBondContact N-O 3.17Å; A14-T75 WeakPolarHBondContact O-CG2 3.47Å; A14-T75 PolarHBondContact O-OG1 3.26Å; A14-L96 CarbonylContact C-O 3.59Å; A14-L96 WeakPolarHBondContact CA-O 3.46Å; A14-L98 HydrophobicContact CB-CD1 4.47Å |
| 15 | L | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 164.5 | -176.8 | -64.6 | 177.7 | 0 | 0 | 0 | 111.8 | L13 T75 T85 F89 F95 L96 L97 L98 L117 | L13-L15 HydrophobicContact CD2-CD1 4.23Å; L13-L15 HydrophobicContact CD2-CD2 3.87Å; L13-L15 HydrophobicContact CD2-CG 4.17Å; L13-L15 HydrophobicContact CG-CD2 4.02Å; L13-L15 HydrophobicContact CG-CG 4.16Å; L15-T75 HydrophobicContact CD2-CG2 3.93Å; L15-T85 HydrophobicContact CD2-CG2 3.91Å; L15-F89 HydrophobicContact CD1-CD1 4.49Å; L15-F89 HydrophobicContact CD1-CE1 3.87Å; L15-F89 HydrophobicContact CD1-CZ 4.09Å; L15-F89 HydrophobicContact CD2-CE1 3.61Å; L15-F89 HydrophobicContact CD2-CZ 4.1Å; L15-F89 HydrophobicContact CG-CE1 4.41Å; L15-F95 HydrophobicContact CD1-CD1 3.64Å; L15-F95 HydrophobicContact CD1-CE1 4.28Å; L15-F95 HydrophobicContact CD1-CG 4.46Å; L15-F95 HydrophobicContact CG-CD1 4.47Å; L15-L96 PolarHBondContact N-O 3.45Å; L15-L97 HydrophobicContact CB-CD1 4.11Å; L15-L98 PolarHBondContact O-N 3.02Å; L15-L117 HydrophobicContact CD1-CD1 4.11Å; L15-L117 HydrophobicContact CD1-CD2 3.55Å; L15-L117 HydrophobicContact CD1-CG 4.03Å |
| 16 | G | 94 | Very high | 94 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 126.4 | 173.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K22 G77 L98 W113 | G16-K22 PolarHBondContact O-NZ 2.81Å; G16-G77 WeakPolarHBondContact O-CA 3.41Å; G16-L98 WeakPolarHBondContact CA-O 3.48Å; G16-W113 WeakPolarHBondContact O-CZ2 3.26Å |
| 17 | D | 92.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 26.4 Ų | 26.4 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | trans | -66.1 | 170.2 | -173.4 | -72.7 | 4.8 | 0 | 0 | 0 | 113.5 | V20 K22 G77 N109 W113 | D17-V20 HydrophobicContact CB-CG1 3.9Å; D17-V20 WeakPolarHBondContact O-CG2 3.31Å; D17-K22 PolarHBondContact O-NZ 2.82Å; D17-G77 CarbonylContact C-O 3.59Å; D17-N109 PolarHBondContact OD2-ND2 2.65Å; D17-W113 PolarHBondContact OD1-NE1 2.92Å | ||
| 18 | S | 91 | Very high | 94.5 | Very high | 50 Ų | 50 | 24.9 Ų | 24.9 | 35% | 0.35 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 143.2 | 170.2 | -165.7 | 0 | 0 | 0 | 0 | 110.2 | V20 G77 | S18-V20 VanDerWaalsContact C-N 3.3Å; S18-V20 PolarHBondContact O-N 3.07Å; S18-G77 PolarHBondContact N-O 3.37Å |
| 19 | G | 92.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 20.8 Ų | 20.8 | 29% | 0.289 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -10 | 178 | 0 | 0 | 0 | 0 | 0 | 116.6 | G21 K134 | G19-G21 PolarHBondContact O-N 3.07Å; G19-K134 WeakPolarHBondContact O-CE 3.48Å; G19-K134 PolarHBondContact O-NZ 2.75Å; G19-K134 VanDerWaalsContact O-NZ 3.1Å |
| 20 | V | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -71.9 | -11.5 | -179.3 | -50 | 0 | 0 | 0 | 0 | 114.3 | D17 S18 K22 L98 D100 N133 | D17-V20 HydrophobicContact CB-CG1 3.9Å; D17-V20 WeakPolarHBondContact O-CG2 3.31Å; S18-V20 VanDerWaalsContact C-N 3.3Å; S18-V20 PolarHBondContact O-N 3.07Å; V20-K22 HydrophobicContact CG2-CG 3.88Å; V20-L98 HydrophobicContact CG2-CB 3.75Å; V20-D100 HydrophobicContact CB-CB 4.08Å; V20-D100 HydrophobicContact CG1-CB 3.98Å; V20-N133 PolarHBondContact O-ND2 2.76Å |
| 21 | G | 95.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 22.7 Ų | 22.7 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | trans | 95.8 | 21 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | G19 T23 S24 V25 | G19-G21 PolarHBondContact O-N 3.07Å; G21-T23 PolarHBondContact O-N 2.98Å; G21-S24 CarbonylContact O-C 3.59Å; G21-S24 WeakPolarHBondContact O-CA 3.32Å; G21-S24 WeakPolarHBondContact O-CB 3.47Å; G21-S24 PolarHBondContact O-N 2.71Å; G21-V25 PolarHBondContact O-N 3.02Å | ||
| 22 | K | 95.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -45.2 | -58.2 | 175.2 | -62 | -172.8 | -66.6 | -76.9 | 0 | 113.3 | A14 G16 D17 V20 S24 V25 L26 D74 T75 G77 L98 | A14-K22 HydrophobicContact CB-CB 4.05Å; A14-K22 HydrophobicContact CB-CD 4.18Å; A14-K22 HydrophobicContact CB-CG 4.28Å; G16-K22 PolarHBondContact O-NZ 2.81Å; D17-K22 PolarHBondContact O-NZ 2.82Å; V20-K22 HydrophobicContact CG2-CG 3.88Å; K22-S24 PolarHBondContact O-N 2.78Å; K22-V25 PolarHBondContact O-N 3.18Å; K22-V25 VanDerWaalsContact O-N 3.17Å; K22-L26 WeakPolarHBondContact O-CG 3.48Å; K22-L26 PolarHBondContact O-N 2.85Å; K22-D74 VanDerWaalsContact CB-OD1 3.28Å; K22-D74 WeakPolarHBondContact CB-OD1 3.4Å; K22-T75 WeakPolarHBondContact CE-O 3.46Å; K22-T75 WeakPolarHBondContact CE-OG1 3.26Å; K22-G77 VanDerWaalsContact NZ-CA 3.3Å; K22-L98 HydrophobicContact CB-CD2 4.42Å; K22-L98 HydrophobicContact CG-CB 4.36Å; K22-L98 HydrophobicContact CG-CD1 4.35Å; K22-L98 HydrophobicContact CG-CD2 4.05Å; K22-L98 HydrophobicContact CG-CG 4.5Å |
| 23 | T | 94.1 | Very high | 94.2 | Very high | 45 Ų | 45 | 28 Ų | 28 | 28% | 0.276 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -54.6 | -40.4 | 177.2 | -35.5 | 0 | 0 | 0 | 0 | 112.5 | G21 Y27 T41 D74 | G21-T23 PolarHBondContact O-N 2.98Å; T23-Y27 VanDerWaalsContact O-CB 3.31Å; T23-Y27 WeakPolarHBondContact O-CB 3.2Å; T23-Y27 PolarHBondContact O-N 3.18Å; T23-T41 PolarHBondContact OG1-OG1 2.89Å; T23-D74 WeakPolarHBondContact CB-OD2 3.48Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.26Å; T23-D74 PolarHBondContact N-OD1 3.41Å; T23-D74 PolarHBondContact OG1-OD2 3.3Å |
| 24 | S | 95.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.4 | -40.8 | 180 | -49.5 | 0 | 0 | 0 | 0 | 112 | G21 K22 Y27 Q28 | G21-S24 CarbonylContact O-C 3.59Å; G21-S24 WeakPolarHBondContact O-CA 3.32Å; G21-S24 WeakPolarHBondContact O-CB 3.47Å; G21-S24 PolarHBondContact O-N 2.71Å; K22-S24 PolarHBondContact O-N 2.78Å; S24-Y27 PolarHBondContact O-N 2.66Å; S24-Q28 VanDerWaalsContact O-CB 3.26Å; S24-Q28 WeakPolarHBondContact O-CB 3.48Å; S24-Q28 PolarHBondContact O-N 3.29Å |
| 25 | V | 97.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 174.7 | 168 | 0 | 0 | 0 | 0 | 110.5 | G21 K22 Y27 Q28 Y29 L98 A164 I170 | G21-V25 PolarHBondContact O-N 3.02Å; K22-V25 PolarHBondContact O-N 3.18Å; K22-V25 VanDerWaalsContact O-N 3.17Å; V25-Y27 PolarHBondContact O-N 2.8Å; V25-Q28 PolarHBondContact O-N 3.39Å; V25-Y29 PolarHBondContact O-N 3.49Å; V25-L98 HydrophobicContact CB-CD2 4.13Å; V25-L98 HydrophobicContact CG2-CD2 3.75Å; V25-A164 HydrophobicContact CG2-CB 3.99Å; V25-I170 HydrophobicContact CB-CD1 4.3Å; V25-I170 HydrophobicContact CG1-CD1 4.11Å; V25-I170 HydrophobicContact CG1-CG1 4.15Å; V25-I170 HydrophobicContact CG1-CG2 4.15Å; V25-I170 HydrophobicContact CG2-CD1 4.11Å |
| 26 | L | 95.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 177.4 | -63.8 | -173.2 | 0 | 0 | 0 | 112 | A14 K22 Y29 T30 L72 D74 L96 | A14-L26 HydrophobicContact CB-CD1 3.9Å; A14-L26 HydrophobicContact CB-CD2 4.47Å; A14-L26 HydrophobicContact CB-CG 4.27Å; K22-L26 WeakPolarHBondContact O-CG 3.48Å; K22-L26 PolarHBondContact O-N 2.85Å; L26-Y29 PolarHBondContact O-N 2.96Å; L26-T30 WeakPolarHBondContact O-CG2 3.39Å; L26-T30 PolarHBondContact O-N 3.33Å; L26-T30 PolarHBondContact O-OG1 2.85Å; L26-L72 HydrophobicContact CD1-CB 4.24Å; L26-L72 HydrophobicContact CD2-CB 4.08Å; L26-L72 HydrophobicContact CD2-CD1 4.41Å; L26-D74 HydrophobicContact CD1-CB 3.94Å; L26-L96 HydrophobicContact CD2-CD1 4.02Å |
| 27 | Y | 94.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 176.6 | -160 | -139.8 | 0 | 0 | 0 | 113 | T23 S24 V25 Y29 T30 D31 K33 R47 | T23-Y27 VanDerWaalsContact O-CB 3.31Å; T23-Y27 WeakPolarHBondContact O-CB 3.2Å; T23-Y27 PolarHBondContact O-N 3.18Å; S24-Y27 PolarHBondContact O-N 2.66Å; V25-Y27 PolarHBondContact O-N 2.8Å; Y27-Y29 VanDerWaalsContact C-N 3.25Å; Y27-Y29 PolarHBondContact O-N 3.31Å; Y27-T30 PolarHBondContact O-N 3.3Å; Y27-D31 HydrophobicContact CD2-CB 3.82Å; Y27-D31 VanDerWaalsContact CD2-OD2 3.29Å; Y27-D31 WeakPolarHBondContact CD2-OD2 3.3Å; Y27-D31 HydrophobicContact CE2-CB 3.67Å; Y27-D31 WeakPolarHBondContact CE2-OD1 3.17Å; Y27-D31 VanDerWaalsContact CE2-OD2 3.28Å; Y27-D31 WeakPolarHBondContact CE2-OD2 3.42Å; Y27-D31 HydrophobicContact CG-CB 4.49Å; Y27-D31 WeakPolarHBondContact O-CB 3.48Å; Y27-D31 PolarHBondContact O-N 3.3Å; Y27-K33 HydrophobicContact CD1-CB 4.19Å; Y27-K33 VanDerWaalsContact CD1-O 3.26Å; Y27-K33 WeakPolarHBondContact CD1-O 3.28Å; Y27-K33 HydrophobicContact CE1-CB 3.88Å; Y27-R47 VanDerWaalsContact CB-NH1 3.29Å |
| 28 | Q | 96.4 | Very high | 91 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 175.2 | -174.7 | 57.4 | 31.5 | 0 | 0 | 110.8 | S24 V25 G32 K33 A164 I170 | S24-Q28 VanDerWaalsContact O-CB 3.26Å; S24-Q28 WeakPolarHBondContact O-CB 3.48Å; S24-Q28 PolarHBondContact O-N 3.29Å; V25-Q28 PolarHBondContact O-N 3.39Å; Q28-G32 VanDerWaalsContact O-CA 3.26Å; Q28-G32 WeakPolarHBondContact O-CA 3.28Å; Q28-G32 PolarHBondContact O-N 3.13Å; Q28-G32 VanDerWaalsContact O-N 3.16Å; Q28-K33 PolarHBondContact OE1-O 3.38Å; Q28-A164 WeakPolarHBondContact CG-O 3.31Å; Q28-A164 PolarHBondContact OE1-O 3.24Å; Q28-I170 HydrophobicContact CB-CD1 3.9Å; Q28-I170 HydrophobicContact CG-CD1 3.83Å |
| 29 | Y | 96.9 | Very high | 90.3 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.2 | -42.9 | 173.8 | -175.9 | -113 | 0 | 0 | 0 | 113.9 | V25 L26 Y27 K49 L70 L72 I170 I174 | V25-Y29 PolarHBondContact O-N 3.49Å; L26-Y29 PolarHBondContact O-N 2.96Å; Y27-Y29 VanDerWaalsContact C-N 3.25Å; Y27-Y29 PolarHBondContact O-N 3.31Å; Y29-K49 HydrophobicContact CD1-CD 3.7Å; Y29-K49 HydrophobicContact CE1-CB 4.43Å; Y29-K49 HydrophobicContact CE1-CD 3.3Å; Y29-K49 HydrophobicContact CE1-CG 4.47Å; Y29-K49 HydrophobicContact CE2-CD 4.45Å; Y29-K49 HydrophobicContact CG-CD 4.45Å; Y29-K49 WeakPolarHBondContact O-CE 3.26Å; Y29-K49 PolarHBondContact O-NZ 3.42Å; Y29-L70 HydrophobicContact CE1-CD1 3.93Å; Y29-L72 HydrophobicContact CD1-CD1 3.58Å; Y29-L72 HydrophobicContact CE1-CD1 3.93Å; Y29-I170 HydrophobicContact CD2-CG2 4.16Å; Y29-I170 HydrophobicContact CG-CG2 4.34Å; Y29-I174 HydrophobicContact CD1-CD1 3.65Å; Y29-I174 HydrophobicContact CD1-CG2 4.38Å; Y29-I174 HydrophobicContact CD2-CD1 3.65Å; Y29-I174 HydrophobicContact CE1-CD1 4.12Å; Y29-I174 HydrophobicContact CE1-CG2 3.76Å; Y29-I174 HydrophobicContact CE2-CB 4.15Å; Y29-I174 HydrophobicContact CE2-CD1 4.13Å; Y29-I174 HydrophobicContact CE2-CG2 4.13Å; Y29-I174 HydrophobicContact CG-CD1 3.37Å |
| 30 | T | 95.1 | Very high | 89.7 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 18% | 0.184 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -80 | -43.2 | -176 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | L26 Y27 R47 K49 L72 | L26-T30 WeakPolarHBondContact O-CG2 3.39Å; L26-T30 PolarHBondContact O-N 3.33Å; L26-T30 PolarHBondContact O-OG1 2.85Å; Y27-T30 PolarHBondContact O-N 3.3Å; T30-R47 HydrophobicContact CG2-CB 3.81Å; T30-K49 HydrophobicContact CG2-CB 4.29Å; T30-L72 HydrophobicContact CG2-CD1 3.79Å |
| 31 | D | 92.6 | Very high | 88.7 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -111.4 | -10.8 | -168.5 | -72 | -114.5 | 0 | 0 | 0 | 113.6 | Y27 K33 | Y27-D31 HydrophobicContact CD2-CB 3.82Å; Y27-D31 VanDerWaalsContact CD2-OD2 3.29Å; Y27-D31 WeakPolarHBondContact CD2-OD2 3.3Å; Y27-D31 HydrophobicContact CE2-CB 3.67Å; Y27-D31 WeakPolarHBondContact CE2-OD1 3.17Å; Y27-D31 VanDerWaalsContact CE2-OD2 3.28Å; Y27-D31 WeakPolarHBondContact CE2-OD2 3.42Å; Y27-D31 HydrophobicContact CG-CB 4.49Å; Y27-D31 WeakPolarHBondContact O-CB 3.48Å; Y27-D31 PolarHBondContact O-N 3.3Å; D31-K33 HydrophobicContact CB-CB 4.25Å; D31-K33 HydrophobicContact CB-CD 4.1Å; D31-K33 HydrophobicContact CB-CG 4.28Å; D31-K33 PolarHBondContact O-N 3.37Å; D31-K33 IonicContact OD1-NZ 3Å |
| 32 | G | 91.6 | Very high | 87.7 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 54% | 0.536 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 67 | 22.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q28 | Q28-G32 VanDerWaalsContact O-CA 3.26Å; Q28-G32 WeakPolarHBondContact O-CA 3.28Å; Q28-G32 PolarHBondContact O-N 3.13Å; Q28-G32 VanDerWaalsContact O-N 3.16Å |
| 33 | K | 89.6 | Confident | 86.6 | Confident | 112 Ų | 112 | 65.6 Ų | 65.6 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | trans | -123.5 | 135.3 | -171.6 | -68.5 | 169.2 | -162.6 | 156.6 | 0 | 112.5 | Y27 Q28 D31 | Y27-K33 HydrophobicContact CD1-CB 4.19Å; Y27-K33 VanDerWaalsContact CD1-O 3.26Å; Y27-K33 WeakPolarHBondContact CD1-O 3.28Å; Y27-K33 HydrophobicContact CE1-CB 3.88Å; Q28-K33 PolarHBondContact OE1-O 3.38Å; D31-K33 HydrophobicContact CB-CB 4.25Å; D31-K33 HydrophobicContact CB-CD 4.1Å; D31-K33 HydrophobicContact CB-CG 4.28Å; D31-K33 PolarHBondContact O-N 3.37Å; D31-K33 IonicContact OD1-NZ 3Å | ||
| 34 | F | 88.8 | Confident | 85.9 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | trans | -101.3 | 141.6 | 166.5 | -175.8 | -115.3 | 0 | 0 | 0 | 111.1 | A164 A165 | F34-A164 WeakPolarHBondContact CB-O 3.23Å; F34-A164 HydrophobicContact CD2-CB 4.11Å; F34-A164 WeakPolarHBondContact CD2-O 3.45Å; F34-A164 HydrophobicContact CE2-CB 4.16Å; F34-A165 HydrophobicContact CD1-CB 4.25Å; F34-A165 HydrophobicContact CD2-CB 4.48Å; F34-A165 HydrophobicContact CE1-CB 4.18Å; F34-A165 HydrophobicContact CE2-CB 4.42Å; F34-A165 HydrophobicContact CG-CB 4.4Å; F34-A165 HydrophobicContact CZ-CB 4.27Å | ||
| 35 | N | 84.9 | Confident | 85.5 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | trans | -122.1 | 118.2 | 168.2 | -178 | 2.2 | 0 | 0 | 0 | 108.4 | K37 | N35-K37 VanDerWaalsContact C-N 3.27Å; N35-K37 PolarHBondContact O-N 3.16Å; N35-K37 WeakPolarHBondContact OD1-CB 3.28Å; N35-K37 PolarHBondContact OD1-N 2.92Å | ||
| 36 | S | 78.8 | Confident | 85.1 | Confident | 105 Ų | 105 | 71.6 Ų | 71.6 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | trans | -74.9 | -13.8 | -179.4 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | F38 | S36-F38 PolarHBondContact O-N 2.95Š| ||
| 37 | K | 79.9 | Confident | 84.8 | Confident | 160 Ų | 160 | 74.6 Ų | 74.6 | 70% | 0.696 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -74.8 | 112.2 | 174.5 | -65.3 | -173.3 | 179.4 | -178.7 | 0 | 109.7 | N35 I39 | N35-K37 VanDerWaalsContact C-N 3.27Å; N35-K37 PolarHBondContact O-N 3.16Å; N35-K37 WeakPolarHBondContact OD1-CB 3.28Å; N35-K37 PolarHBondContact OD1-N 2.92Å; K37-I39 PolarHBondContact O-N 3.37Å |
| 38 | F | 70.3 | Confident | 84.9 | Confident | 138 Ų | 138 | 75.8 Ų | 75.8 | 61% | 0.605 | 40% | 0.398 | S | S | * | . | trans | -64.7 | 116 | 170.7 | -176.8 | -109 | 0 | 0 | 0 | 110.4 | S36 T40 | S36-F38 PolarHBondContact O-N 2.95Å; F38-T40 VanDerWaalsContact CE1-OG1 3.28Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.43Å | ||
| 39 | I | 77.2 | Confident | 84.8 | Confident | 123 Ų | 123 | 77 Ų | 77 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | trans | -122.1 | 117.9 | 172.3 | -59 | 174.8 | 0 | 0 | 0 | 106.1 | K37 T41 | K37-I39 PolarHBondContact O-N 3.37Å; I39-T41 PolarHBondContact O-N 3.08Å | ||
| 40 | T | 77.8 | Confident | 84.7 | Confident | 61 Ų | 61 | 83 Ų | 83 | 37% | 0.374 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 121.7 | 178.4 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | F38 V42 | F38-T40 VanDerWaalsContact CE1-OG1 3.28Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.43Å; T40-V42 PolarHBondContact O-N 3.25Å |
| 41 | T | 75 | Confident | 84.7 | Confident | 27 Ų | 27 | 83 Ų | 83 | 17% | 0.166 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 125 | 169.5 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | T23 I39 D74 A76 | T23-T41 PolarHBondContact OG1-OG1 2.89Å; I39-T41 PolarHBondContact O-N 3.08Å; T41-D74 PolarHBondContact OG1-OD2 2.86Å; T41-A76 VanDerWaalsContact O-CB 3.27Å; T41-A76 WeakPolarHBondContact O-CB 3.24Å |
| 42 | V | 73.8 | Confident | 84.7 | Confident | 120 Ų | 120 | 83.6 Ų | 83.6 | 73% | 0.727 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -101.7 | 117.1 | 175 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | T40 F81 | T40-V42 PolarHBondContact O-N 3.25Å; V42-F81 HydrophobicContact CG1-CZ 4.21Å |
| 43 | G | 73 | Confident | 84.7 | Confident | 12 Ų | 12 | 82.1 Ų | 82.1 | 12% | 0.124 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 74.8 | -124.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A76 | G43-A76 WeakPolarHBondContact O-CB 3.47Å; G43-A76 PolarHBondContact O-N 3.19Å |
| 44 | I | 80.3 | Confident | 84.7 | Confident | 41 Ų | 41 | 83.8 Ų | 83.8 | 21% | 0.21 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.4 | -173.3 | -69 | 172.1 | 0 | 0 | 0 | 108.2 | W73 D74 L84 F88 | I44-W73 HydrophobicContact CG2-CE3 3.66Å; I44-W73 HydrophobicContact CG2-CZ3 4.08Å; I44-D74 WeakPolarHBondContact CA-O 3.26Å; I44-L84 HydrophobicContact CD1-CG 4.24Å; I44-F88 HydrophobicContact CD1-CD1 4.34Å; I44-F88 HydrophobicContact CD1-CD2 3.24Å; I44-F88 HydrophobicContact CD1-CE1 4.35Å; I44-F88 HydrophobicContact CD1-CE2 3.28Å; I44-F88 HydrophobicContact CD1-CG 3.83Å; I44-F88 HydrophobicContact CD1-CZ 3.86Å; I44-F88 HydrophobicContact CG2-CE1 4.38Å |
| 45 | D | 86.4 | Confident | 84.3 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 166.3 | 175 | -169.8 | 16 | 0 | 0 | 0 | 108.6 | D74 | D45-D74 PolarHBondContact N-O 2.56Å; D45-D74 VanDerWaalsContact N-O 3.11Å; D45-D74 PolarHBondContact O-N 2.92Å |
| 46 | F | 87.5 | Confident | 83.7 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 149.1 | 172.1 | 75.1 | -81.7 | 0 | 0 | 0 | 112.6 | E48 L72 W73 | F46-E48 HydrophobicContact CD2-CG 3.96Å; F46-E48 HydrophobicContact CE2-CG 3.83Å; F46-L72 CarbonylContact C-O 3.55Å; F46-L72 WeakPolarHBondContact CA-O 3.26Å; F46-W73 HydrophobicContact CB-CD2 3.9Å; F46-W73 HydrophobicContact CB-CE3 3.97Å; F46-W73 HydrophobicContact CB-CG 4.2Å; F46-W73 HydrophobicContact CB-CZ3 4.42Å; F46-W73 HydrophobicContact CD1-CH2 4.32Å; F46-W73 HydrophobicContact CD1-CZ3 4.25Å |
| 47 | R | 91.6 | Very high | 83 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 25% | 0.253 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 154 | 174.4 | -67.3 | -112.3 | 173.3 | 71.1 | 7.7 | 110 | Y27 T30 L72 | Y27-R47 VanDerWaalsContact CB-NH1 3.29Å; T30-R47 HydrophobicContact CG2-CB 3.81Å; R47-L72 HydrophobicContact CB-CB 4.46Å; R47-L72 PolarHBondContact N-O 3.4Å; R47-L72 PolarHBondContact O-N 3.47Å |
| 48 | E | 94.8 | Very high | 82 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 142.2 | 178.7 | -55.9 | -162 | 122.7 | 0 | 0 | 111.2 | F46 H69 L70 Q71 | F46-E48 HydrophobicContact CD2-CG 3.96Å; F46-E48 HydrophobicContact CE2-CG 3.83Å; E48-H69 IonicContact OE1-CD2 2.69Å; E48-H69 IonicContact OE1-CE1 3.36Å; E48-H69 IonicContact OE1-NE2 2.86Å; E48-H69 PolarHBondContact OE1-NE2 3.04Å; E48-H69 IonicContact OE2-CE1 3.24Å; E48-H69 IonicContact OE2-NE2 2.68Å; E48-H69 PolarHBondContact OE2-NE2 2.98Å; E48-L70 VanDerWaalsContact CA-O 3.26Å; E48-L70 WeakPolarHBondContact CA-O 3.43Å; E48-Q71 HydrophobicContact CG-CG 4.23Å; E48-Q71 WeakPolarHBondContact OE1-CG 3.37Å; E48-Q71 PolarHBondContact OE1-NE2 3.3Å |
| 49 | K | 94.9 | Very high | 81.6 | Confident | 58 Ų | 58 | 78.7 Ų | 78.7 | 25% | 0.252 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 128.6 | 173.6 | -164.6 | -176 | -175.1 | 177.7 | 0 | 110.2 | Y29 T30 V51 L70 | Y29-K49 HydrophobicContact CD1-CD 3.7Å; Y29-K49 HydrophobicContact CE1-CB 4.43Å; Y29-K49 HydrophobicContact CE1-CD 3.3Å; Y29-K49 HydrophobicContact CE1-CG 4.47Å; Y29-K49 HydrophobicContact CE2-CD 4.45Å; Y29-K49 HydrophobicContact CG-CD 4.45Å; Y29-K49 WeakPolarHBondContact O-CE 3.26Å; Y29-K49 PolarHBondContact O-NZ 3.42Å; T30-K49 HydrophobicContact CG2-CB 4.29Å; K49-V51 HydrophobicContact CD-CG1 4.06Å; K49-V51 HydrophobicContact CG-CG1 4.13Å; K49-L70 PolarHBondContact N-O 3.08Å; K49-L70 WeakPolarHBondContact O-CB 3.35Å; K49-L70 PolarHBondContact O-N 3.32Å |
| 50 | R | 94.8 | Very high | 80.8 | Confident | 136 Ų | 136 | 75.7 Ų | 75.7 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128.9 | 169.8 | -68.3 | -174.2 | 177.2 | -174.2 | 1.7 | 109.7 | I68 H69 | R50-I68 WeakPolarHBondContact CA-O 3.41Å; R50-H69 PolarHBondContact NE-ND1 3.43Å |
| 51 | V | 94.7 | Very high | 79.9 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 164.9 | 177 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | K49 I68 L70 L178 | K49-V51 HydrophobicContact CD-CG1 4.06Å; K49-V51 HydrophobicContact CG-CG1 4.13Å; V51-I68 HydrophobicContact CG2-CB 3.79Å; V51-I68 HydrophobicContact CG2-CG1 4.33Å; V51-I68 HydrophobicContact CG2-CG2 4.44Å; V51-I68 PolarHBondContact N-O 2.76Å; V51-I68 PolarHBondContact O-N 2.74Å; V51-L70 HydrophobicContact CG1-CD1 4.03Å; V51-L70 HydrophobicContact CG2-CD1 3.83Å; V51-L70 HydrophobicContact CG2-CG 4.05Å; V51-L178 HydrophobicContact CG2-CD2 4.01Å |
| 52 | V | 93.4 | Very high | 79.5 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 106.4 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | R54 Q66 | V52-R54 HydrophobicContact CG1-CG 4.4Å; V52-Q66 CarbonylContact C-O 3.54Å; V52-Q66 WeakPolarHBondContact CA-O 3.41Å |
| 53 | Y | 91.9 | Very high | 79.2 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 8% | 0.082 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 141 | 173.2 | 175.7 | -109 | 0 | 0 | 0 | 110 | A55 G65 Q66 L178 D179 M182 | Y53-A55 HydrophobicContact CE1-CB 3.89Å; Y53-G65 CarbonylContact O-C 3.52Å; Y53-G65 WeakPolarHBondContact O-CA 3.45Å; Y53-Q66 PolarHBondContact N-O 2.94Å; Y53-Q66 PolarHBondContact O-N 2.91Å; Y53-L178 HydrophobicContact CD2-CD2 4.36Å; Y53-L178 HydrophobicContact CD2-CG 4.3Å; Y53-D179 HydrophobicContact CE2-CB 4.37Å; Y53-D179 PolarHBondContact OH-OD1 3.43Å; Y53-M182 HydrophobicContact CD1-CB 4.09Å; Y53-M182 HydrophobicContact CD1-CE 4.12Å; Y53-M182 HydrophobicContact CD1-CG 3.76Å; Y53-M182 HydrophobicContact CD2-CG 4.23Å; Y53-M182 HydrophobicContact CE1-CB 3.52Å; Y53-M182 HydrophobicContact CE1-CE 4.48Å; Y53-M182 HydrophobicContact CE1-CG 3.74Å; Y53-M182 HydrophobicContact CE2-CB 4.28Å; Y53-M182 HydrophobicContact CE2-CG 4.22Å; Y53-M182 HydrophobicContact CG-CG 4.01Å |
| 54 | R | 88.4 | Confident | 79.5 | Confident | 147 Ų | 147 | 85.6 Ų | 85.6 | 56% | 0.555 | 45% | 0.451 | S | S | * | . | trans | -136.5 | 102.9 | 177.6 | -67.5 | 179.5 | -178.6 | -88.6 | 2.9 | 108.3 | V52 I62 | V52-R54 HydrophobicContact CG1-CG 4.4Å; R54-I62 HydrophobicContact CB-CG2 4.35Å | ||
| 55 | A | 80.1 | Confident | 79.8 | Confident | 21 Ų | 21 | 84.5 Ų | 84.5 | 17% | 0.174 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 138.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y53 G63 | Y53-A55 HydrophobicContact CE1-CB 3.89Å; A55-G63 PolarHBondContact O-N 2.96Å |
| 56 | N | 72.4 | Confident | 80 | Confident | 137 Ų | 137 | 82.7 Ų | 82.7 | 73% | 0.733 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -82.4 | 116 | 165.4 | -66.4 | -35 | 0 | 0 | 0 | 107.7 | ||
| 57 | G | 63.9 | Low | 80.2 | Confident | 24 Ų | 24 | 82.6 Ų | 82.6 | 25% | 0.247 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 161.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | D59 G60 A61 | G57-D59 PolarHBondContact O-N 2.88Å; G57-D59 VanDerWaalsContact O-N 3.11Å; G57-G60 PolarHBondContact O-N 3.1Å; G57-A61 WeakPolarHBondContact CA-O 3.38Å; G57-A61 PolarHBondContact N-O 2.97Å |
| 58 | P | 59.3 | Low | 80.4 | Confident | 135 Ų | 135 | 79.4 Ų | 79.4 | 88% | 0.877 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.4 | -176.9 | 22.5 | -33.5 | 0 | 0 | 0 | 113.7 | ||
| 59 | D | 61.5 | Low | 80.5 | Confident | 151 Ų | 151 | 76 Ų | 76 | 81% | 0.807 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 13.8 | 179.7 | -51.1 | -48.7 | 0 | 0 | 0 | 113.5 | G57 A61 | G57-D59 PolarHBondContact O-N 2.88Å; G57-D59 VanDerWaalsContact O-N 3.11Å; D59-A61 PolarHBondContact O-N 3.16Å |
| 60 | G | 60.7 | Low | 80.6 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 62% | 0.619 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 73.3 | 2.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G57 I62 | G57-G60 PolarHBondContact O-N 3.1Å; G60-I62 PolarHBondContact O-N 3.18Å |
| 61 | A | 60.1 | Low | 80.6 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 51% | 0.512 | 38% | 0.378 | S | S | . | . | trans | -65.1 | 124.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G57 D59 G63 | G57-A61 WeakPolarHBondContact CA-O 3.38Å; G57-A61 PolarHBondContact N-O 2.97Å; D59-A61 PolarHBondContact O-N 3.16Å; A61-G63 PolarHBondContact O-N 3.41Å | ||
| 62 | I | 66.2 | Low | 80.7 | Confident | 121 Ų | 121 | 66.7 Ų | 66.7 | 62% | 0.621 | 37% | 0.37 | S | S | * | . | B | Isolated β-bridge | trans | -68.6 | 115.5 | 174.6 | -60.9 | 174.5 | 0 | 0 | 0 | 108 | R54 G60 | R54-I62 HydrophobicContact CB-CG2 4.35Å; G60-I62 PolarHBondContact O-N 3.18Å |
| 63 | G | 68.3 | Low | 80.7 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 159 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A55 A61 G65 | A55-G63 PolarHBondContact O-N 2.96Å; A61-G63 PolarHBondContact O-N 3.41Å; G63-G65 PolarHBondContact O-N 3.03Å |
| 64 | R | 79.3 | Confident | 80.6 | Confident | 217 Ų | 217 | 64.4 Ų | 64.4 | 82% | 0.819 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 127.4 | 173.6 | 179.2 | 178.2 | 173.6 | 176.9 | -2.5 | 108.9 | Q66 | R64-Q66 PolarHBondContact O-N 3.25Š|
| 65 | G | 84.8 | Confident | 80.4 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -61 | 123.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y53 G63 | Y53-G65 CarbonylContact O-C 3.52Å; Y53-G65 WeakPolarHBondContact O-CA 3.45Å; G63-G65 PolarHBondContact O-N 3.03Å |
| 66 | Q | 90.5 | Very high | 80.4 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.1 | 178.9 | -60.6 | 175.8 | 12.9 | 0 | 0 | 108.6 | Y8 V52 Y53 R64 I68 | Y8-Q66 HydrophobicContact CD2-CB 4.24Å; Y8-Q66 HydrophobicContact CE2-CB 4.1Å; Y8-Q66 HydrophobicContact CE2-CG 4.13Å; V52-Q66 CarbonylContact C-O 3.54Å; V52-Q66 WeakPolarHBondContact CA-O 3.41Å; Y53-Q66 PolarHBondContact N-O 2.94Å; Y53-Q66 PolarHBondContact O-N 2.91Å; R64-Q66 PolarHBondContact O-N 3.25Å; Q66-I68 HydrophobicContact CB-CD1 4.18Å; Q66-I68 PolarHBondContact O-N 3.16Å |
| 67 | R | 93.4 | Very high | 80.1 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 115.8 | -178.7 | -60.1 | 171 | -64.8 | 163.3 | 7.5 | 108.6 | D5 D7 Y8 | D5-R67 PolarHBondContact O-NH1 3.18Å; D5-R67 IonicContact OD1-CZ 3.81Å; D5-R67 IonicContact OD1-NH1 3.73Å; D5-R67 PolarHBondContact OD1-NH1 3.21Å; D7-R67 PolarHBondContact N-O 2.86Å; D7-R67 IonicContact OD1-CZ 2.78Å; D7-R67 IonicContact OD1-NE 2.64Å; D7-R67 PolarHBondContact OD1-NE 3.3Å; D7-R67 IonicContact OD1-NH2 3.85Å; D7-R67 PolarHBondContact OD1-NH2 3.4Å; D7-R67 WeakPolarHBondContact OD2-CB 3.45Å; D7-R67 WeakPolarHBondContact OD2-CG 3.46Å; D7-R67 PolarHBondContact OD2-N 3.04Å; D7-R67 IonicContact OD2-NE 3.49Å; D7-R67 PolarHBondContact OD2-NE 3.07Å; D7-R67 VanDerWaalsContact OD2-NE 3.13Å; Y8-R67 PolarHBondContact N-O 2.96Å; Y8-R67 VanDerWaalsContact N-O 3.13Å |
| 68 | I | 95.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.9 | -178.6 | -45.7 | -58.4 | 0 | 0 | 0 | 108.7 | Y8 I10 R50 V51 Q66 L70 L178 M182 | Y8-I68 HydrophobicContact CD2-CD1 3.8Å; Y8-I68 HydrophobicContact CG-CD1 4.18Å; Y8-I68 WeakPolarHBondContact O-CA 3.48Å; I10-I68 HydrophobicContact CB-CG2 3.93Å; I10-I68 HydrophobicContact CG1-CG2 3.56Å; R50-I68 WeakPolarHBondContact CA-O 3.41Å; V51-I68 HydrophobicContact CG2-CB 3.79Å; V51-I68 HydrophobicContact CG2-CG1 4.33Å; V51-I68 HydrophobicContact CG2-CG2 4.44Å; V51-I68 PolarHBondContact N-O 2.76Å; V51-I68 PolarHBondContact O-N 2.74Å; Q66-I68 HydrophobicContact CB-CD1 4.18Å; Q66-I68 PolarHBondContact O-N 3.16Å; I68-L70 HydrophobicContact CG2-CD2 3.79Å; I68-L70 HydrophobicContact CG2-CG 4.16Å; I68-L178 HydrophobicContact CG1-CD1 4.48Å; I68-L178 HydrophobicContact CG1-CD2 4.39Å; I68-L178 HydrophobicContact CG2-CD1 4.14Å; I68-M182 HydrophobicContact CD1-CE 3.85Å; I68-M182 HydrophobicContact CD1-SD 4.08Å |
| 69 | H | 96.1 | Very high | 80.3 | Confident | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 105.6 | 164.6 | -169.8 | 115.9 | 0 | 0 | 0 | 107.2 | Y6 Y8 L9 I10 E48 R50 | Y6-H69 HydrophobicContact CD1-CB 3.63Å; Y6-H69 AromaticContact CD1-ND1 3.83Å; Y6-H69 HydrophobicContact CD2-CB 4.02Å; Y6-H69 HydrophobicContact CE1-CB 4.11Å; Y6-H69 HydrophobicContact CE2-CB 4.46Å; Y6-H69 HydrophobicContact CG-CB 3.58Å; Y8-H69 PolarHBondContact O-N 3.32Å; L9-H69 HydrophobicContact CD1-CB 4.29Å; L9-H69 WeakPolarHBondContact CD1-O 3.5Å; I10-H69 PolarHBondContact N-O 3.47Å; E48-H69 IonicContact OE1-CD2 2.69Å; E48-H69 IonicContact OE1-CE1 3.36Å; E48-H69 IonicContact OE1-NE2 2.86Å; E48-H69 PolarHBondContact OE1-NE2 3.04Å; E48-H69 IonicContact OE2-CE1 3.24Å; E48-H69 IonicContact OE2-NE2 2.68Å; E48-H69 PolarHBondContact OE2-NE2 2.98Å; R50-H69 PolarHBondContact NE-ND1 3.43Å |
| 70 | L | 96.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.2 | 176.7 | -64.4 | 173.4 | 0 | 0 | 0 | 109.6 | I10 F12 Y29 E48 K49 V51 I68 L72 I174 L178 | I10-L70 HydrophobicContact CB-CD2 4.08Å; I10-L70 HydrophobicContact CG2-CD2 4.16Å; I10-L70 WeakPolarHBondContact O-CA 3.29Å; F12-L70 HydrophobicContact CD2-CD2 4.39Å; F12-L70 HydrophobicContact CE2-CD2 3.77Å; F12-L70 HydrophobicContact CZ-CD2 3.94Å; Y29-L70 HydrophobicContact CE1-CD1 3.93Å; E48-L70 VanDerWaalsContact CA-O 3.26Å; E48-L70 WeakPolarHBondContact CA-O 3.43Å; K49-L70 PolarHBondContact N-O 3.08Å; K49-L70 WeakPolarHBondContact O-CB 3.35Å; K49-L70 PolarHBondContact O-N 3.32Å; V51-L70 HydrophobicContact CG1-CD1 4.03Å; V51-L70 HydrophobicContact CG2-CD1 3.83Å; V51-L70 HydrophobicContact CG2-CG 4.05Å; I68-L70 HydrophobicContact CG2-CD2 3.79Å; I68-L70 HydrophobicContact CG2-CG 4.16Å; L70-L72 HydrophobicContact CB-CD2 4.23Å; L70-L72 HydrophobicContact CB-CG 4.34Å; L70-I174 HydrophobicContact CD1-CG2 4.47Å; L70-L178 HydrophobicContact CD2-CD1 4.23Å |
| 71 | Q | 96.2 | Very high | 80.4 | Confident | 29 Ų | 29 | 52 Ų | 52 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.4 | 162.1 | -75.8 | -175.8 | -19.9 | 0 | 0 | 109 | L9 I10 K11 F12 E48 | L9-Q71 HydrophobicContact CD1-CG 3.92Å; I10-Q71 PolarHBondContact O-N 3.4Å; K11-Q71 WeakPolarHBondContact CA-O 3.45Å; K11-Q71 HydrophobicContact CG-CB 4.18Å; F12-Q71 PolarHBondContact N-O 3.05Å; E48-Q71 HydrophobicContact CG-CG 4.23Å; E48-Q71 WeakPolarHBondContact OE1-CG 3.37Å; E48-Q71 PolarHBondContact OE1-NE2 3.3Å |
| 72 | L | 95.3 | Very high | 80.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 98 | -173.7 | -57 | 174.7 | 0 | 0 | 0 | 108.4 | F12 L26 Y29 T30 F46 R47 L70 | F12-L72 HydrophobicContact CB-CD2 4.05Å; F12-L72 HydrophobicContact CD2-CD2 3.68Å; F12-L72 HydrophobicContact CG-CD2 4.27Å; L26-L72 HydrophobicContact CD1-CB 4.24Å; L26-L72 HydrophobicContact CD2-CB 4.08Å; L26-L72 HydrophobicContact CD2-CD1 4.41Å; Y29-L72 HydrophobicContact CD1-CD1 3.58Å; Y29-L72 HydrophobicContact CE1-CD1 3.93Å; T30-L72 HydrophobicContact CG2-CD1 3.79Å; F46-L72 CarbonylContact C-O 3.55Å; F46-L72 WeakPolarHBondContact CA-O 3.26Å; R47-L72 HydrophobicContact CB-CB 4.46Å; R47-L72 PolarHBondContact N-O 3.4Å; R47-L72 PolarHBondContact O-N 3.47Å; L70-L72 HydrophobicContact CB-CD2 4.23Å; L70-L72 HydrophobicContact CB-CG 4.34Å |
| 73 | W | 93.4 | Very high | 80.7 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 19% | 0.186 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.3 | -175.5 | -66.9 | 80.6 | 0 | 0 | 0 | 110.5 | F12 L13 A14 I44 F46 F88 | F12-W73 WeakPolarHBondContact O-CB 3.27Å; F12-W73 PolarHBondContact O-N 2.84Å; L13-W73 HydrophobicContact CD1-CB 3.35Å; L13-W73 HydrophobicContact CD1-CG 4.34Å; A14-W73 PolarHBondContact N-O 3.17Å; I44-W73 HydrophobicContact CG2-CE3 3.66Å; I44-W73 HydrophobicContact CG2-CZ3 4.08Å; F46-W73 HydrophobicContact CB-CD2 3.9Å; F46-W73 HydrophobicContact CB-CE3 3.97Å; F46-W73 HydrophobicContact CB-CG 4.2Å; F46-W73 HydrophobicContact CB-CZ3 4.42Å; F46-W73 HydrophobicContact CD1-CH2 4.32Å; F46-W73 HydrophobicContact CD1-CZ3 4.25Å; W73-F88 AromaticContact CE3-CD1 3.9Å; W73-F88 HydrophobicContact CE3-CD1 3.9Å; W73-F88 HydrophobicContact CE3-CE1 4.02Å; W73-F88 HydrophobicContact CH2-CD1 4.45Å; W73-F88 HydrophobicContact CH2-CE1 4.13Å; W73-F88 AromaticContact CZ3-CD1 3.85Å; W73-F88 HydrophobicContact CZ3-CD1 3.85Å; W73-F88 AromaticContact CZ3-CE1 3.53Å; W73-F88 HydrophobicContact CZ3-CE1 3.53Å |
| 74 | D | 90.8 | Very high | 80.6 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 134.8 | 173 | -170.5 | 36.4 | 0 | 0 | 0 | 110.3 | K22 T23 L26 T41 I44 D45 | K22-D74 VanDerWaalsContact CB-OD1 3.28Å; K22-D74 WeakPolarHBondContact CB-OD1 3.4Å; T23-D74 WeakPolarHBondContact CB-OD2 3.48Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.26Å; T23-D74 PolarHBondContact N-OD1 3.41Å; T23-D74 PolarHBondContact OG1-OD2 3.3Å; L26-D74 HydrophobicContact CD1-CB 3.94Å; T41-D74 PolarHBondContact OG1-OD2 2.86Å; I44-D74 WeakPolarHBondContact CA-O 3.26Å; D45-D74 PolarHBondContact N-O 2.56Å; D45-D74 VanDerWaalsContact N-O 3.11Å; D45-D74 PolarHBondContact O-N 2.92Å |
| 75 | T | 84.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 142.4 | -178.9 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | L13 A14 L15 K22 G77 T85 | L13-T75 HydrophobicContact CD1-CG2 3.4Å; L13-T75 HydrophobicContact CD2-CG2 4.37Å; L13-T75 HydrophobicContact CG-CG2 3.91Å; A14-T75 WeakPolarHBondContact O-CG2 3.47Å; A14-T75 PolarHBondContact O-OG1 3.26Å; L15-T75 HydrophobicContact CD2-CG2 3.93Å; K22-T75 WeakPolarHBondContact CE-O 3.46Å; K22-T75 WeakPolarHBondContact CE-OG1 3.26Å; T75-G77 PolarHBondContact O-N 3.39Å; T75-G77 VanDerWaalsContact O-N 3.13Å; T75-T85 HydrophobicContact CG2-CG2 3.72Å |
| 76 | A | 79.4 | Confident | 79.4 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | trans | -61.8 | 116 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T41 G43 Q78 F81 | T41-A76 VanDerWaalsContact O-CB 3.27Å; T41-A76 WeakPolarHBondContact O-CB 3.24Å; G43-A76 WeakPolarHBondContact O-CB 3.47Å; G43-A76 PolarHBondContact O-N 3.19Å; A76-Q78 PolarHBondContact O-N 3.24Å; A76-Q78 VanDerWaalsContact O-N 3.15Å; A76-F81 HydrophobicContact CB-CB 3.92Å; A76-F81 HydrophobicContact CB-CD2 3.59Å; A76-F81 HydrophobicContact CB-CE2 4.41Å; A76-F81 HydrophobicContact CB-CG 3.98Å | ||
| 77 | G | 66.6 | Low | 78.6 | Confident | 11 Ų | 11 | 46 Ų | 46 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | trans | -76.8 | 10.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | G16 D17 S18 K22 T75 | G16-G77 WeakPolarHBondContact O-CA 3.41Å; D17-G77 CarbonylContact C-O 3.59Å; S18-G77 PolarHBondContact N-O 3.37Å; K22-G77 VanDerWaalsContact NZ-CA 3.3Å; T75-G77 PolarHBondContact O-N 3.39Å; T75-G77 VanDerWaalsContact O-N 3.13Å | ||
| 78 | Q | 65.5 | Low | 77.9 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -92.8 | 136.4 | -177.4 | -168.3 | 174.8 | 55.5 | 0 | 0 | 110.3 | A76 R80 F81 | A76-Q78 PolarHBondContact O-N 3.24Å; A76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-R80 HydrophobicContact CG-CG 4.5Å; Q78-R80 PolarHBondContact O-N 3.19Å; Q78-R80 VanDerWaalsContact OE1-CZ 3.3Å; Q78-F81 HydrophobicContact CB-CD2 4.18Å; Q78-F81 PolarHBondContact O-N 2.87Å |
| 79 | E | 62.4 | Low | 77.2 | Confident | 122 Ų | 122 | 44.4 Ų | 44.4 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -53.2 | -33.8 | -176.5 | 64.1 | -62 | 138.2 | 0 | 0 | 113.7 | F81 R82 | E79-F81 PolarHBondContact O-N 2.8Å; E79-F81 VanDerWaalsContact O-N 3.14Å; E79-R82 PolarHBondContact O-N 3.28Å |
| 80 | R | 60.8 | Low | 76.5 | Confident | 178 Ų | 178 | 52.2 Ų | 52.2 | 67% | 0.672 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -60.4 | -19.5 | 176.5 | -58.5 | -170.9 | -60.5 | 174.2 | 1.8 | 114.8 | Q78 | Q78-R80 HydrophobicContact CG-CG 4.5Å; Q78-R80 PolarHBondContact O-N 3.19Å; Q78-R80 VanDerWaalsContact OE1-CZ 3.3Å |
| 81 | F | 63.2 | Low | 75.9 | Confident | 54 Ų | 54 | 57 Ų | 57 | 24% | 0.237 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -107.7 | -1.3 | 179.4 | -61.9 | -65.1 | 0 | 0 | 0 | 113.9 | V42 A76 Q78 E79 S83 L84 T85 | V42-F81 HydrophobicContact CG1-CZ 4.21Å; A76-F81 HydrophobicContact CB-CB 3.92Å; A76-F81 HydrophobicContact CB-CD2 3.59Å; A76-F81 HydrophobicContact CB-CE2 4.41Å; A76-F81 HydrophobicContact CB-CG 3.98Å; Q78-F81 HydrophobicContact CB-CD2 4.18Å; Q78-F81 PolarHBondContact O-N 2.87Å; E79-F81 PolarHBondContact O-N 2.8Å; E79-F81 VanDerWaalsContact O-N 3.14Å; F81-S83 VanDerWaalsContact C-N 3.26Å; F81-S83 PolarHBondContact O-N 3.21Å; F81-S83 VanDerWaalsContact O-N 3.16Å; F81-L84 WeakPolarHBondContact O-CB 3.46Å; F81-L84 PolarHBondContact O-N 3.4Å; F81-T85 PolarHBondContact O-N 3.39Å; F81-T85 VanDerWaalsContact O-N 3.14Å; F81-T85 PolarHBondContact O-OG1 3.1Å |
| 82 | R | 65.9 | Low | 75.7 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.2 | -37.3 | -176.7 | -79.7 | -179.8 | 118.7 | 126.3 | 7 | 113.8 | E79 L84 T85 T86 W113 | E79-R82 PolarHBondContact O-N 3.28Å; R82-L84 VanDerWaalsContact C-N 3.31Å; R82-L84 PolarHBondContact O-N 2.81Å; R82-T85 WeakPolarHBondContact O-CB 3.24Å; R82-T85 PolarHBondContact O-N 3.24Å; R82-T85 VanDerWaalsContact O-N 3.16Å; R82-T86 PolarHBondContact O-N 2.64Å; R82-T86 VanDerWaalsContact O-N 3.14Å; R82-T86 PolarHBondContact O-OG1 3.49Å; R82-T86 VanDerWaalsContact O-OG1 3.14Å; R82-W113 HydrophobicContact CG-CH2 4.24Å; R82-W113 VanDerWaalsContact NH2-CE2 3.26Å |
| 83 | S | 65.6 | Low | 75.6 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.6 | -32.3 | 177.4 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | F81 | F81-S83 VanDerWaalsContact C-N 3.26Å; F81-S83 PolarHBondContact O-N 3.21Å; F81-S83 VanDerWaalsContact O-N 3.16Å |
| 84 | L | 66.2 | Low | 75.7 | Confident | 84 Ų | 84 | 56 Ų | 56 | 44% | 0.44 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.4 | -37.8 | 172.7 | -174.1 | 67.5 | 0 | 0 | 0 | 110.7 | I44 F81 R82 F88 | I44-L84 HydrophobicContact CD1-CG 4.24Å; F81-L84 WeakPolarHBondContact O-CB 3.46Å; F81-L84 PolarHBondContact O-N 3.4Å; R82-L84 VanDerWaalsContact C-N 3.31Å; R82-L84 PolarHBondContact O-N 2.81Å; L84-F88 WeakPolarHBondContact O-CD2 3.43Å |
| 85 | T | 68.3 | Low | 75.9 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | -178.4 | -43.4 | 0 | 0 | 0 | 0 | 112.8 | L15 T75 F81 R82 A87 F88 F89 | L15-T85 HydrophobicContact CD2-CG2 3.91Å; T75-T85 HydrophobicContact CG2-CG2 3.72Å; F81-T85 PolarHBondContact O-N 3.39Å; F81-T85 VanDerWaalsContact O-N 3.14Å; F81-T85 PolarHBondContact O-OG1 3.1Å; R82-T85 WeakPolarHBondContact O-CB 3.24Å; R82-T85 PolarHBondContact O-N 3.24Å; R82-T85 VanDerWaalsContact O-N 3.16Å; T85-A87 PolarHBondContact O-N 2.98Å; T85-A87 VanDerWaalsContact O-N 3.16Å; T85-F88 PolarHBondContact O-N 3.11Å; T85-F89 HydrophobicContact CG2-CD1 4.38Å; T85-F89 HydrophobicContact CG2-CE1 3.41Å; T85-F89 VanDerWaalsContact CG2-CE1 3.41Å; T85-F89 HydrophobicContact CG2-CZ 3.92Å; T85-F89 VanDerWaalsContact O-CD1 3.3Å; T85-F89 WeakPolarHBondContact O-CD1 3.25Å; T85-F89 WeakPolarHBondContact O-CE1 3.34Å |
| 86 | T | 71.9 | Confident | 76.5 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -57.6 | -31.4 | -177.4 | -52.2 | 0 | 0 | 0 | 0 | 113.9 | R82 F88 F89 H120 | R82-T86 PolarHBondContact O-N 2.64Å; R82-T86 VanDerWaalsContact O-N 3.14Å; R82-T86 PolarHBondContact O-OG1 3.49Å; R82-T86 VanDerWaalsContact O-OG1 3.14Å; T86-F88 PolarHBondContact O-N 2.68Å; T86-F89 PolarHBondContact O-N 2.9Å; T86-H120 HydrophobicContact CG2-CB 3.83Å; T86-H120 VanDerWaalsContact CG2-CD2 3.42Å; T86-H120 WeakPolarHBondContact CG2-CD2 3.45Å |
| 87 | A | 73.5 | Confident | 77.4 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -61.3 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T85 F89 | T85-A87 PolarHBondContact O-N 2.98Å; T85-A87 VanDerWaalsContact O-N 3.16Å; A87-F89 VanDerWaalsContact C-N 3.34Å; A87-F89 PolarHBondContact O-N 3.12Å |
| 88 | F | 77.8 | Confident | 78.9 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -82.8 | -10.6 | -176 | -64.7 | -99.6 | 0 | 0 | 0 | 113 | L13 I44 W73 L84 T85 T86 R90 D91 A92 | L13-F88 HydrophobicContact CD1-CB 4.43Å; L13-F88 HydrophobicContact CD2-CB 4.42Å; I44-F88 HydrophobicContact CD1-CD1 4.34Å; I44-F88 HydrophobicContact CD1-CD2 3.24Å; I44-F88 HydrophobicContact CD1-CE1 4.35Å; I44-F88 HydrophobicContact CD1-CE2 3.28Å; I44-F88 HydrophobicContact CD1-CG 3.83Å; I44-F88 HydrophobicContact CD1-CZ 3.86Å; I44-F88 HydrophobicContact CG2-CE1 4.38Å; W73-F88 AromaticContact CE3-CD1 3.9Å; W73-F88 HydrophobicContact CE3-CD1 3.9Å; W73-F88 HydrophobicContact CE3-CE1 4.02Å; W73-F88 HydrophobicContact CH2-CD1 4.45Å; W73-F88 HydrophobicContact CH2-CE1 4.13Å; W73-F88 AromaticContact CZ3-CD1 3.85Å; W73-F88 HydrophobicContact CZ3-CD1 3.85Å; W73-F88 AromaticContact CZ3-CE1 3.53Å; W73-F88 HydrophobicContact CZ3-CE1 3.53Å; L84-F88 WeakPolarHBondContact O-CD2 3.43Å; T85-F88 PolarHBondContact O-N 3.11Å; T86-F88 PolarHBondContact O-N 2.68Å; F88-R90 PolarHBondContact O-N 2.86Å; F88-D91 PolarHBondContact O-N 2.97Å; F88-A92 PolarHBondContact O-N 2.94Å |
| 89 | F | 81.6 | Confident | 80.5 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -68.1 | -24.8 | 178.5 | -66.7 | 3.7 | 0 | 0 | 0 | 112.4 | L13 L15 T85 T86 A87 F95 Q116 L117 H120 A121 | L13-F89 HydrophobicContact CD2-CD1 3.44Å; L13-F89 VanDerWaalsContact CD2-CD1 3.44Å; L13-F89 HydrophobicContact CD2-CE1 3.75Å; L15-F89 HydrophobicContact CD1-CD1 4.49Å; L15-F89 HydrophobicContact CD1-CE1 3.87Å; L15-F89 HydrophobicContact CD1-CZ 4.09Å; L15-F89 HydrophobicContact CD2-CE1 3.61Å; L15-F89 HydrophobicContact CD2-CZ 4.1Å; L15-F89 HydrophobicContact CG-CE1 4.41Å; T85-F89 HydrophobicContact CG2-CD1 4.38Å; T85-F89 HydrophobicContact CG2-CE1 3.41Å; T85-F89 VanDerWaalsContact CG2-CE1 3.41Å; T85-F89 HydrophobicContact CG2-CZ 3.92Å; T85-F89 VanDerWaalsContact O-CD1 3.3Å; T85-F89 WeakPolarHBondContact O-CD1 3.25Å; T85-F89 WeakPolarHBondContact O-CE1 3.34Å; T86-F89 PolarHBondContact O-N 2.9Å; A87-F89 VanDerWaalsContact C-N 3.34Å; A87-F89 PolarHBondContact O-N 3.12Å; F89-F95 WeakPolarHBondContact O-CZ 3.43Å; F89-Q116 HydrophobicContact CE2-CB 4.29Å; F89-L117 HydrophobicContact CD2-CD2 4.19Å; F89-L117 HydrophobicContact CE2-CD2 4.39Å; F89-L117 HydrophobicContact CG-CD2 4.37Å; F89-H120 HydrophobicContact CB-CB 4.46Å; F89-H120 HydrophobicContact CD2-CB 3.83Å; F89-A121 WeakPolarHBondContact O-CA 3.47Å |
| 90 | R | 81 | Confident | 82.2 | Confident | 180 Ų | 180 | 47.6 Ų | 47.6 | 68% | 0.679 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -27.2 | 178.4 | -66 | -178.7 | 177.7 | 175.3 | -1.8 | 113.4 | F88 H120 | F88-R90 PolarHBondContact O-N 2.86Å; R90-H120 WeakPolarHBondContact CG-O 3.32Å |
| 91 | D | 84.3 | Confident | 84 | Confident | 102 Ų | 102 | 39.2 Ų | 39.2 | 55% | 0.545 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -12.5 | -177.6 | -73.9 | 3.4 | 0 | 0 | 0 | 113 | K11 F88 | K11-D91 VanDerWaalsContact CD-O 3.23Å; K11-D91 WeakPolarHBondContact CD-O 3.15Å; F88-D91 PolarHBondContact O-N 2.97Å |
| 92 | A | 90.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | trans | -85.1 | 133.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L13 F88 F95 Y122 | L13-A92 HydrophobicContact CB-CB 3.76Å; L13-A92 HydrophobicContact CD2-CB 4.41Å; F88-A92 PolarHBondContact O-N 2.94Å; A92-F95 HydrophobicContact CB-CD1 4.43Å; A92-F95 HydrophobicContact CB-CE1 3.66Å; A92-F95 HydrophobicContact CB-CZ 3.76Å; A92-Y122 WeakPolarHBondContact O-CD1 3.49Å | ||
| 93 | M | 93.3 | Very high | 87.2 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 27% | 0.271 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -85.5 | -28.5 | 176.3 | -60.7 | 174.2 | 177.2 | 0 | 0 | 112 | I10 K11 I181 M185 | I10-M93 HydrophobicContact CB-SD 4.34Å; I10-M93 HydrophobicContact CD1-SD 3.67Å; I10-M93 HydrophobicContact CG2-SD 4.14Å; K11-M93 PolarHBondContact O-N 2.86Å; M93-I181 HydrophobicContact CB-CD1 4.25Å; M93-I181 HydrophobicContact CB-CG2 4.34Å; M93-I181 WeakPolarHBondContact O-CD1 3.46Å; M93-M185 HydrophobicContact CE-CE 4.05Å; M93-M185 HydrophobicContact SD-CE 3.57Å; M93-M185 VanDerWaalsContact SD-CE 3.57Å |
| 94 | G | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 156.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K11 F12 L13 D127 I181 | K11-G94 PolarHBondContact O-N 2.84Å; F12-G94 VanDerWaalsContact CA-O 3.3Å; F12-G94 WeakPolarHBondContact CA-O 3.2Å; L13-G94 PolarHBondContact N-O 3.5Å; G94-D127 WeakPolarHBondContact CA-O 3.23Å; G94-I181 VanDerWaalsContact CA-CD1 3.44Å |
| 95 | F | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.8 | -176.3 | -55.9 | -85.7 | 0 | 0 | 0 | 111.8 | L13 L15 F89 A92 L117 A121 P126 D127 I128 V129 | L13-F95 HydrophobicContact CB-CD1 3.89Å; L13-F95 HydrophobicContact CB-CE1 4.09Å; L13-F95 HydrophobicContact CD2-CD1 4.14Å; L13-F95 HydrophobicContact CD2-CE1 3.84Å; L13-F95 HydrophobicContact CG-CD1 4.5Å; L13-F95 WeakPolarHBondContact O-CA 3.34Å; L15-F95 HydrophobicContact CD1-CD1 3.64Å; L15-F95 HydrophobicContact CD1-CE1 4.28Å; L15-F95 HydrophobicContact CD1-CG 4.46Å; L15-F95 HydrophobicContact CG-CD1 4.47Å; F89-F95 WeakPolarHBondContact O-CZ 3.43Å; A92-F95 HydrophobicContact CB-CD1 4.43Å; A92-F95 HydrophobicContact CB-CE1 3.66Å; A92-F95 HydrophobicContact CB-CZ 3.76Å; F95-L117 HydrophobicContact CB-CD1 4.03Å; F95-L117 HydrophobicContact CD1-CD1 4.35Å; F95-L117 HydrophobicContact CD1-CD2 3.41Å; F95-L117 VanDerWaalsContact CD1-CD2 3.41Å; F95-L117 HydrophobicContact CD2-CD1 4.36Å; F95-L117 HydrophobicContact CD2-CD2 4.02Å; F95-L117 HydrophobicContact CE1-CD2 3.39Å; F95-L117 HydrophobicContact CE2-CD2 4.03Å; F95-L117 HydrophobicContact CG-CD1 3.97Å; F95-L117 HydrophobicContact CG-CD2 3.72Å; F95-L117 HydrophobicContact CZ-CD2 3.71Å; F95-A121 HydrophobicContact CE2-CB 4.16Å; F95-A121 HydrophobicContact CZ-CB 4.09Å; F95-P126 HydrophobicContact CD2-CB 3.78Å; F95-P126 HydrophobicContact CD2-CG 4.33Å; F95-P126 HydrophobicContact CE2-CB 3.53Å; F95-P126 HydrophobicContact CE2-CG 4.24Å; F95-D127 PolarHBondContact N-O 3.05Å; F95-I128 HydrophobicContact CB-CG1 4.27Å; F95-I128 HydrophobicContact CD2-CG1 4.42Å; F95-I128 WeakPolarHBondContact O-CA 3.37Å; F95-V129 PolarHBondContact O-N 2.69Å |
| 96 | L | 97.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 105.9 | 164.3 | -68.7 | 161.3 | 0 | 0 | 0 | 106.6 | L13 A14 L15 L26 L98 V129 I174 L177 | L13-L96 PolarHBondContact O-N 3.43Å; A14-L96 CarbonylContact C-O 3.59Å; A14-L96 WeakPolarHBondContact CA-O 3.46Å; L15-L96 PolarHBondContact N-O 3.45Å; L26-L96 HydrophobicContact CD2-CD1 4.02Å; L96-L98 HydrophobicContact CB-CD1 3.86Å; L96-L98 WeakPolarHBondContact O-CD1 3.43Å; L96-V129 HydrophobicContact CD2-CB 4.47Å; L96-I174 HydrophobicContact CD1-CD1 4.28Å; L96-I174 HydrophobicContact CD1-CG1 3.87Å; L96-I174 HydrophobicContact CD2-CG1 4.05Å; L96-L177 HydrophobicContact CD2-CD2 4.01Å; L96-L177 HydrophobicContact CG-CD2 3.8Å |
| 97 | L | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108 | 179.1 | -178.9 | 51.5 | 0 | 0 | 0 | 109.4 | L15 V110 W113 I114 I128 V129 L130 C131 | L15-L97 HydrophobicContact CB-CD1 4.11Å; L97-V110 HydrophobicContact CD2-CG1 3.81Å; L97-V110 HydrophobicContact CG-CG1 4.36Å; L97-W113 HydrophobicContact CD1-CB 3.59Å; L97-W113 HydrophobicContact CD1-CG 3.97Å; L97-W113 HydrophobicContact CD2-CB 4.15Å; L97-I114 HydrophobicContact CD2-CD1 4.16Å; L97-I114 HydrophobicContact CD2-CG1 3.49Å; L97-I114 VanDerWaalsContact CD2-CG1 3.49Å; L97-I128 HydrophobicContact CB-CG2 3.9Å; L97-V129 PolarHBondContact N-O 3.19Å; L97-L130 HydrophobicContact CB-CD1 4.42Å; L97-L130 HydrophobicContact CD2-CD1 4.41Å; L97-L130 HydrophobicContact CG-CD1 4.13Å; L97-L130 WeakPolarHBondContact O-CA 3.41Å; L97-C131 PolarHBondContact O-N 2.97Å |
| 98 | L | 98.1 | Very high | 94 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140.9 | -176.9 | -72.4 | 74.8 | 0 | 0 | 0 | 111.7 | A14 L15 G16 V20 K22 V25 L96 C131 N133 | A14-L98 HydrophobicContact CB-CD1 4.47Å; L15-L98 PolarHBondContact O-N 3.02Å; G16-L98 WeakPolarHBondContact CA-O 3.48Å; V20-L98 HydrophobicContact CG2-CB 3.75Å; K22-L98 HydrophobicContact CB-CD2 4.42Å; K22-L98 HydrophobicContact CG-CB 4.36Å; K22-L98 HydrophobicContact CG-CD1 4.35Å; K22-L98 HydrophobicContact CG-CD2 4.05Å; K22-L98 HydrophobicContact CG-CG 4.5Å; V25-L98 HydrophobicContact CB-CD2 4.13Å; V25-L98 HydrophobicContact CG2-CD2 3.75Å; L96-L98 HydrophobicContact CB-CD1 3.86Å; L96-L98 WeakPolarHBondContact O-CD1 3.43Å; L98-C131 WeakPolarHBondContact CA-O 3.05Å; L98-C131 HydrophobicContact CD1-CB 4.47Å; L98-C131 HydrophobicContact CG-CB 3.98Å; L98-N133 HydrophobicContact CD2-CB 4.47Å |
| 99 | F | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 176.6 | 155.5 | 70.6 | -87.1 | 0 | 0 | 0 | 109.5 | L101 F107 V110 L130 C131 N133 V143 A148 Y159 | F99-L101 HydrophobicContact CE2-CD2 3.91Å; F99-L101 HydrophobicContact CE2-CG 4.38Å; F99-L101 HydrophobicContact CZ-CD2 4.3Å; F99-F107 HydrophobicContact CB-CB 4.46Å; F99-F107 HydrophobicContact CD1-CD2 4.01Å; F99-F107 HydrophobicContact CD2-CB 3.71Å; F99-F107 AromaticContact CD2-CD2 3.9Å; F99-F107 HydrophobicContact CD2-CD2 3.9Å; F99-F107 HydrophobicContact CD2-CG 4.23Å; F99-F107 AromaticContact CE1-CD2 3.84Å; F99-F107 HydrophobicContact CE1-CD2 3.84Å; F99-F107 HydrophobicContact CE1-CE2 4.27Å; F99-F107 HydrophobicContact CE2-CB 4.15Å; F99-F107 AromaticContact CE2-CD2 3.75Å; F99-F107 HydrophobicContact CE2-CD2 3.75Å; F99-F107 HydrophobicContact CE2-CG 4.24Å; F99-F107 HydrophobicContact CG-CB 4.13Å; F99-F107 HydrophobicContact CG-CD2 4.03Å; F99-F107 AromaticContact CZ-CD2 3.71Å; F99-F107 HydrophobicContact CZ-CD2 3.71Å; F99-F107 HydrophobicContact CZ-CE2 4.17Å; F99-V110 HydrophobicContact CB-CG2 3.83Å; F99-V110 HydrophobicContact CD1-CG2 3.93Å; F99-V110 HydrophobicContact CG-CG2 4.16Å; F99-L130 HydrophobicContact CD1-CD1 3.97Å; F99-L130 HydrophobicContact CD1-CG 4.32Å; F99-L130 HydrophobicContact CE1-CD1 4.16Å; F99-L130 HydrophobicContact CE1-CD2 4.17Å; F99-L130 HydrophobicContact CE1-CG 4.01Å; F99-C131 PolarHBondContact N-O 2.82Å; F99-N133 PolarHBondContact O-N 3.33Å; F99-V143 HydrophobicContact CD2-CG2 4.45Å; F99-V143 HydrophobicContact CE2-CB 4.13Å; F99-V143 HydrophobicContact CE2-CG1 3.84Å; F99-V143 HydrophobicContact CE2-CG2 4.2Å; F99-V143 HydrophobicContact CZ-CG1 4.35Å; F99-A148 HydrophobicContact CE1-CB 4.44Å; F99-A148 HydrophobicContact CZ-CB 3.81Å; F99-Y159 AromaticContact CE1-CE2 3.71Å; F99-Y159 HydrophobicContact CE1-CE2 3.71Å; F99-Y159 AromaticContact CZ-CE2 3.78Å; F99-Y159 HydrophobicContact CZ-CE2 3.78Å |
| 100 | D | 98.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.3 | -177.2 | 175.5 | 9.6 | 0 | 0 | 0 | 109.7 | V20 T102 N103 S106 K134 | V20-D100 HydrophobicContact CB-CB 4.08Å; V20-D100 HydrophobicContact CG1-CB 3.98Å; D100-T102 PolarHBondContact O-N 2.94Å; D100-T102 PolarHBondContact OD1-N 3.16Å; D100-T102 VanDerWaalsContact OD1-N 3.1Å; D100-T102 PolarHBondContact OD1-OG1 3.08Å; D100-N103 HydrophobicContact CB-CB 3.98Å; D100-N103 CarbonylContact O-C 3.52Å; D100-N103 PolarHBondContact O-N 3.28Å; D100-S106 PolarHBondContact N-OG 3.38Å; D100-S106 PolarHBondContact O-OG 3.2Å; D100-K134 VanDerWaalsContact CG-NZ 3.27Å; D100-K134 VanDerWaalsContact OD1-CD 3.24Å; D100-K134 WeakPolarHBondContact OD1-CD 3.43Å; D100-K134 WeakPolarHBondContact OD1-CE 3.39Å; D100-K134 IonicContact OD1-NZ 2.82Å; D100-K134 PolarHBondContact OD1-NZ 3.2Å; D100-K134 WeakPolarHBondContact OD2-CE 3.42Å; D100-K134 IonicContact OD2-NZ 3.74Å; D100-K134 PolarHBondContact OD2-NZ 2.91Å |
| 101 | L | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.6 | -178.6 | -74.8 | 165.1 | 0 | 0 | 0 | 112.4 | F99 G132 N133 A142 V143 E161 | F99-L101 HydrophobicContact CE2-CD2 3.91Å; F99-L101 HydrophobicContact CE2-CG 4.38Å; F99-L101 HydrophobicContact CZ-CD2 4.3Å; L101-G132 WeakPolarHBondContact CD1-O 3.29Å; L101-N133 WeakPolarHBondContact CB-O 3.31Å; L101-N133 PolarHBondContact N-O 2.95Å; L101-A142 PolarHBondContact O-N 2.83Å; L101-V143 HydrophobicContact CD2-CB 4.38Å; L101-V143 PolarHBondContact O-N 3.13Å; L101-E161 HydrophobicContact CD1-CB 4.37Å; L101-E161 WeakPolarHBondContact CD2-OE1 3.39Å |
| 102 | T | 98.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 10 | 175.3 | 80.4 | 0 | 0 | 0 | 0 | 113.3 | D100 L137 Q140 | D100-T102 PolarHBondContact O-N 2.94Å; D100-T102 PolarHBondContact OD1-N 3.16Å; D100-T102 VanDerWaalsContact OD1-N 3.1Å; D100-T102 PolarHBondContact OD1-OG1 3.08Å; T102-L137 HydrophobicContact CG2-CB 3.67Å; T102-L137 HydrophobicContact CG2-CD1 4.06Å; T102-Q140 VanDerWaalsContact CA-O 3.31Å; T102-Q140 WeakPolarHBondContact CA-O 3.44Å; T102-Q140 VanDerWaalsContact CB-O 3.26Å; T102-Q140 WeakPolarHBondContact CB-O 3.38Å; T102-Q140 HydrophobicContact CG2-CB 3.73Å |
| 103 | N | 97.9 | Very high | 96.6 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 33% | 0.326 | 17% | 0.166 | S | C | . | . | trans | -145.4 | 92.2 | -176.1 | -179 | -6.9 | 0 | 0 | 0 | 112.1 | D100 Q105 S106 F107 | D100-N103 HydrophobicContact CB-CB 3.98Å; D100-N103 CarbonylContact O-C 3.52Å; D100-N103 PolarHBondContact O-N 3.28Å; N103-Q105 PolarHBondContact O-N 3.42Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.48Å; N103-Q105 PolarHBondContact OD1-N 3.04Å; N103-S106 WeakPolarHBondContact O-CB 3.47Å; N103-S106 PolarHBondContact O-N 2.93Å; N103-S106 PolarHBondContact O-OG 3.4Å; N103-S106 PolarHBondContact OD1-N 3.1Å; N103-F107 PolarHBondContact O-N 2.85Å | ||
| 104 | E | 97.8 | Very high | 96.5 | Very high | 115 Ų | 115 | 31.7 Ų | 31.7 | 54% | 0.537 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -51 | -39.1 | 177.7 | -172.8 | -172.9 | -170.5 | 0 | 0 | 113.4 | S106 F107 L108 A142 | E104-S106 VanDerWaalsContact C-N 3.25Å; E104-S106 PolarHBondContact O-N 3.03Å; E104-F107 WeakPolarHBondContact O-CB 3.21Å; E104-F107 PolarHBondContact O-N 3.15Å; E104-L108 HydrophobicContact CG-CD1 4.38Å; E104-L108 HydrophobicContact CG-CG 4.42Å; E104-L108 WeakPolarHBondContact O-CG 3.46Å; E104-L108 PolarHBondContact O-N 3.39Å; E104-A142 HydrophobicContact CB-CB 4.38Å |
| 105 | Q | 97.4 | Very high | 96.3 | Very high | 108 Ų | 108 | 34.1 Ų | 34.1 | 51% | 0.505 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.2 | -33.7 | -179.1 | -176.4 | 57.3 | 78.2 | 0 | 0 | 112.2 | N103 F107 N109 | N103-Q105 PolarHBondContact O-N 3.42Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.48Å; N103-Q105 PolarHBondContact OD1-N 3.04Å; Q105-F107 VanDerWaalsContact C-N 3.33Å; Q105-N109 PolarHBondContact NE2-OD1 2.86Å; Q105-N109 WeakPolarHBondContact O-CB 3.27Å; Q105-N109 PolarHBondContact O-N 3.24Å; Q105-N109 VanDerWaalsContact O-N 3.1Å; Q105-N109 PolarHBondContact O-ND2 3.27Å |
| 106 | S | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68 | -34.7 | 175.3 | 77.8 | 0 | 0 | 0 | 0 | 112.1 | D100 N103 E104 N109 V110 | D100-S106 PolarHBondContact N-OG 3.38Å; D100-S106 PolarHBondContact O-OG 3.2Å; N103-S106 WeakPolarHBondContact O-CB 3.47Å; N103-S106 PolarHBondContact O-N 2.93Å; N103-S106 PolarHBondContact O-OG 3.4Å; N103-S106 PolarHBondContact OD1-N 3.1Å; E104-S106 VanDerWaalsContact C-N 3.25Å; E104-S106 PolarHBondContact O-N 3.03Å; S106-N109 PolarHBondContact O-N 3.21Å; S106-V110 PolarHBondContact O-N 3.33Å |
| 107 | F | 98.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 7% | 0.066 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.9 | -44.6 | 174.6 | 174.7 | -113.6 | 0 | 0 | 0 | 112 | F99 N103 E104 Q105 N109 V110 V143 E147 A148 L151 | F99-F107 HydrophobicContact CB-CB 4.46Å; F99-F107 HydrophobicContact CD1-CD2 4.01Å; F99-F107 HydrophobicContact CD2-CB 3.71Å; F99-F107 AromaticContact CD2-CD2 3.9Å; F99-F107 HydrophobicContact CD2-CD2 3.9Å; F99-F107 HydrophobicContact CD2-CG 4.23Å; F99-F107 AromaticContact CE1-CD2 3.84Å; F99-F107 HydrophobicContact CE1-CD2 3.84Å; F99-F107 HydrophobicContact CE1-CE2 4.27Å; F99-F107 HydrophobicContact CE2-CB 4.15Å; F99-F107 AromaticContact CE2-CD2 3.75Å; F99-F107 HydrophobicContact CE2-CD2 3.75Å; F99-F107 HydrophobicContact CE2-CG 4.24Å; F99-F107 HydrophobicContact CG-CB 4.13Å; F99-F107 HydrophobicContact CG-CD2 4.03Å; F99-F107 AromaticContact CZ-CD2 3.71Å; F99-F107 HydrophobicContact CZ-CD2 3.71Å; F99-F107 HydrophobicContact CZ-CE2 4.17Å; N103-F107 PolarHBondContact O-N 2.85Å; E104-F107 WeakPolarHBondContact O-CB 3.21Å; E104-F107 PolarHBondContact O-N 3.15Å; Q105-F107 VanDerWaalsContact C-N 3.33Å; F107-N109 PolarHBondContact O-N 3.34Å; F107-V110 HydrophobicContact CD2-CG2 4.42Å; F107-V110 WeakPolarHBondContact O-CB 3.39Å; F107-V110 VanDerWaalsContact O-CG2 3.27Å; F107-V110 WeakPolarHBondContact O-CG2 3.4Å; F107-V110 PolarHBondContact O-N 2.99Å; F107-V143 HydrophobicContact CB-CG1 4.23Å; F107-V143 HydrophobicContact CB-CG2 3.68Å; F107-V143 HydrophobicContact CD1-CG1 3.78Å; F107-V143 HydrophobicContact CD1-CG2 4.34Å; F107-V143 HydrophobicContact CD2-CG1 4.01Å; F107-V143 HydrophobicContact CE1-CG1 4.09Å; F107-V143 HydrophobicContact CE2-CG1 4.31Å; F107-V143 HydrophobicContact CG-CG1 3.74Å; F107-V143 HydrophobicContact CG-CG2 4.1Å; F107-V143 HydrophobicContact CZ-CG1 4.35Å; F107-E147 HydrophobicContact CE1-CB 4.28Å; F107-E147 HydrophobicContact CZ-CB 4.38Å; F107-E147 WeakPolarHBondContact CZ-O 3.26Å; F107-A148 HydrophobicContact CE2-CB 3.97Å; F107-A148 HydrophobicContact CZ-CB 4.38Å; F107-L151 HydrophobicContact CD2-CD2 4.18Å; F107-L151 HydrophobicContact CE2-CB 4.15Å; F107-L151 HydrophobicContact CE2-CD2 3.43Å; F107-L151 VanDerWaalsContact CE2-CD2 3.43Å; F107-L151 HydrophobicContact CE2-CG 4.4Å; F107-L151 HydrophobicContact CZ-CB 3.98Å; F107-L151 HydrophobicContact CZ-CD2 3.76Å; F107-L151 HydrophobicContact CZ-CG 4.43Å |
| 108 | L | 97.1 | Very high | 95 | Very high | 70 Ų | 70 | 40.8 Ų | 40.8 | 37% | 0.366 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58 | -35.7 | 174.1 | -65.7 | 176.2 | 0 | 0 | 0 | 111.9 | E104 V110 | E104-L108 HydrophobicContact CG-CD1 4.38Å; E104-L108 HydrophobicContact CG-CG 4.42Å; E104-L108 WeakPolarHBondContact O-CG 3.46Å; E104-L108 PolarHBondContact O-N 3.39Å; L108-V110 VanDerWaalsContact C-N 3.3Å; L108-V110 PolarHBondContact O-N 2.94Å |
| 109 | N | 95.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -14.7 | 177.7 | -77.4 | -25.8 | 0 | 0 | 0 | 114.7 | D17 Q105 S106 F107 R111 N112 W113 | D17-N109 PolarHBondContact OD2-ND2 2.65Å; Q105-N109 PolarHBondContact NE2-OD1 2.86Å; Q105-N109 WeakPolarHBondContact O-CB 3.27Å; Q105-N109 PolarHBondContact O-N 3.24Å; Q105-N109 VanDerWaalsContact O-N 3.1Å; Q105-N109 PolarHBondContact O-ND2 3.27Å; S106-N109 PolarHBondContact O-N 3.21Å; F107-N109 PolarHBondContact O-N 3.34Å; N109-R111 PolarHBondContact O-N 2.63Å; N109-N112 WeakPolarHBondContact O-CB 3.25Å; N109-N112 PolarHBondContact O-N 3.19Å; N109-N112 PolarHBondContact OD1-ND2 2.85Å; N109-W113 PolarHBondContact O-N 3.25Å; N109-W113 VanDerWaalsContact O-N 3.13Å |
| 110 | V | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.8 | -40.1 | 175 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | L97 F99 S106 F107 L108 N112 W113 I114 L130 L151 | L97-V110 HydrophobicContact CD2-CG1 3.81Å; L97-V110 HydrophobicContact CG-CG1 4.36Å; F99-V110 HydrophobicContact CB-CG2 3.83Å; F99-V110 HydrophobicContact CD1-CG2 3.93Å; F99-V110 HydrophobicContact CG-CG2 4.16Å; S106-V110 PolarHBondContact O-N 3.33Å; F107-V110 HydrophobicContact CD2-CG2 4.42Å; F107-V110 WeakPolarHBondContact O-CB 3.39Å; F107-V110 VanDerWaalsContact O-CG2 3.27Å; F107-V110 WeakPolarHBondContact O-CG2 3.4Å; F107-V110 PolarHBondContact O-N 2.99Å; L108-V110 VanDerWaalsContact C-N 3.3Å; L108-V110 PolarHBondContact O-N 2.94Å; V110-N112 VanDerWaalsContact C-N 3.3Å; V110-N112 PolarHBondContact O-N 2.98Å; V110-W113 PolarHBondContact O-N 3.25Å; V110-W113 VanDerWaalsContact O-N 3.14Å; V110-I114 HydrophobicContact CG1-CD1 3.87Å; V110-I114 HydrophobicContact CG1-CG1 4.33Å; V110-I114 WeakPolarHBondContact O-CG1 3.45Å; V110-I114 PolarHBondContact O-N 3.02Å; V110-L130 HydrophobicContact CG1-CD1 3.63Å; V110-L130 HydrophobicContact CG2-CD1 4.17Å; V110-L151 HydrophobicContact CB-CD2 4.04Å; V110-L151 HydrophobicContact CG1-CD2 3.75Å |
| 111 | R | 94.5 | Very high | 92.9 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.6 | -38.6 | 178.3 | -61.8 | 177.9 | -175 | 168.5 | 4.9 | 112.4 | N109 S115 L151 | N109-R111 PolarHBondContact O-N 2.63Å; R111-S115 PolarHBondContact O-N 3.41Å; R111-S115 VanDerWaalsContact O-N 3.08Å; R111-L151 HydrophobicContact CG-CD1 4.14Å |
| 112 | N | 92.4 | Very high | 92 | Very high | 84 Ų | 84 | 54.8 Ų | 54.8 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.8 | -37.3 | 177.5 | -61.9 | -31.9 | 0 | 0 | 0 | 111 | N109 V110 Q116 | N109-N112 WeakPolarHBondContact O-CB 3.25Å; N109-N112 PolarHBondContact O-N 3.19Å; N109-N112 PolarHBondContact OD1-ND2 2.85Å; V110-N112 VanDerWaalsContact C-N 3.3Å; V110-N112 PolarHBondContact O-N 2.98Å; N112-Q116 VanDerWaalsContact O-CG 3.32Å; N112-Q116 WeakPolarHBondContact O-CG 3.28Å; N112-Q116 PolarHBondContact O-N 3Å |
| 113 | W | 92.1 | Very high | 91 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 174.7 | -71.8 | 111.8 | 0 | 0 | 0 | 112.7 | G16 D17 R82 L97 N109 V110 S115 Q116 L117 | G16-W113 WeakPolarHBondContact O-CZ2 3.26Å; D17-W113 PolarHBondContact OD1-NE1 2.92Å; R82-W113 HydrophobicContact CG-CH2 4.24Å; R82-W113 VanDerWaalsContact NH2-CE2 3.26Å; L97-W113 HydrophobicContact CD1-CB 3.59Å; L97-W113 HydrophobicContact CD1-CG 3.97Å; L97-W113 HydrophobicContact CD2-CB 4.15Å; N109-W113 PolarHBondContact O-N 3.25Å; N109-W113 VanDerWaalsContact O-N 3.13Å; V110-W113 PolarHBondContact O-N 3.25Å; V110-W113 VanDerWaalsContact O-N 3.14Å; W113-S115 PolarHBondContact O-N 3.35Å; W113-Q116 PolarHBondContact O-N 3.37Å; W113-L117 WeakPolarHBondContact O-CG 3.38Å; W113-L117 PolarHBondContact O-N 2.9Å |
| 114 | I | 92 | Very high | 89.7 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.5 | -65.9 | 173 | 0 | 0 | 0 | 110.7 | L97 V110 Q116 L117 Q118 Y155 I157 | L97-I114 HydrophobicContact CD2-CD1 4.16Å; L97-I114 HydrophobicContact CD2-CG1 3.49Å; L97-I114 VanDerWaalsContact CD2-CG1 3.49Å; V110-I114 HydrophobicContact CG1-CD1 3.87Å; V110-I114 HydrophobicContact CG1-CG1 4.33Å; V110-I114 WeakPolarHBondContact O-CG1 3.45Å; V110-I114 PolarHBondContact O-N 3.02Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 2.87Å; I114-L117 WeakPolarHBondContact O-CB 3.31Å; I114-L117 PolarHBondContact O-N 3.37Å; I114-L117 VanDerWaalsContact O-N 3.17Å; I114-Q118 HydrophobicContact CG2-CG 4.42Å; I114-Q118 WeakPolarHBondContact O-CG 3.29Å; I114-Q118 PolarHBondContact O-N 2.97Å; I114-Y155 HydrophobicContact CB-CE1 4.49Å; I114-Y155 HydrophobicContact CD1-CD1 4.16Å; I114-Y155 HydrophobicContact CD1-CD2 3.46Å; I114-Y155 VanDerWaalsContact CD1-CD2 3.46Å; I114-Y155 HydrophobicContact CD1-CE1 4.27Å; I114-Y155 HydrophobicContact CD1-CE2 3.61Å; I114-Y155 HydrophobicContact CD1-CG 3.76Å; I114-Y155 HydrophobicContact CG2-CD1 3.86Å; I114-Y155 HydrophobicContact CG2-CE1 3.75Å; I114-Y155 HydrophobicContact CG2-CG 4.48Å; I114-I157 HydrophobicContact CD1-CD1 4.16Å |
| 115 | S | 90.1 | Very high | 88.9 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 175.7 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | R111 W113 L117 Q118 M119 | R111-S115 PolarHBondContact O-N 3.41Å; R111-S115 VanDerWaalsContact O-N 3.08Å; W113-S115 PolarHBondContact O-N 3.35Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 3.47Å; S115-Q118 PolarHBondContact O-N 3.01Å; S115-M119 WeakPolarHBondContact O-CE 3.38Å; S115-M119 WeakPolarHBondContact O-CG 3.36Å; S115-M119 PolarHBondContact O-N 3.27Å; S115-M119 VanDerWaalsContact O-N 3.11Å |
| 116 | Q | 87.1 | Confident | 88.5 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 175 | -75.6 | 172 | 14.8 | 0 | 0 | 112.7 | F89 N112 W113 I114 M119 H120 | F89-Q116 HydrophobicContact CE2-CB 4.29Å; N112-Q116 VanDerWaalsContact O-CG 3.32Å; N112-Q116 WeakPolarHBondContact O-CG 3.28Å; N112-Q116 PolarHBondContact O-N 3Å; W113-Q116 PolarHBondContact O-N 3.37Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 2.87Å; Q116-M119 HydrophobicContact CG-CE 4.38Å; Q116-H120 WeakPolarHBondContact O-CB 3.44Å; Q116-H120 PolarHBondContact O-CD2 2.95Å; Q116-H120 PolarHBondContact O-N 3.47Å |
| 117 | L | 89 | Confident | 88.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -49.9 | 172.8 | -75.2 | 175.4 | 0 | 0 | 0 | 111.7 | L15 F89 F95 W113 I114 S115 M119 H120 A121 P126 I128 | L15-L117 HydrophobicContact CD1-CD1 4.11Å; L15-L117 HydrophobicContact CD1-CD2 3.55Å; L15-L117 HydrophobicContact CD1-CG 4.03Å; F89-L117 HydrophobicContact CD2-CD2 4.19Å; F89-L117 HydrophobicContact CE2-CD2 4.39Å; F89-L117 HydrophobicContact CG-CD2 4.37Å; F95-L117 HydrophobicContact CB-CD1 4.03Å; F95-L117 HydrophobicContact CD1-CD1 4.35Å; F95-L117 HydrophobicContact CD1-CD2 3.41Å; F95-L117 VanDerWaalsContact CD1-CD2 3.41Å; F95-L117 HydrophobicContact CD2-CD1 4.36Å; F95-L117 HydrophobicContact CD2-CD2 4.02Å; F95-L117 HydrophobicContact CE1-CD2 3.39Å; F95-L117 HydrophobicContact CE2-CD2 4.03Å; F95-L117 HydrophobicContact CG-CD1 3.97Å; F95-L117 HydrophobicContact CG-CD2 3.72Å; F95-L117 HydrophobicContact CZ-CD2 3.71Å; W113-L117 WeakPolarHBondContact O-CG 3.38Å; W113-L117 PolarHBondContact O-N 2.9Å; I114-L117 WeakPolarHBondContact O-CB 3.31Å; I114-L117 PolarHBondContact O-N 3.37Å; I114-L117 VanDerWaalsContact O-N 3.17Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 3.47Å; L117-M119 PolarHBondContact O-N 3.12Å; L117-H120 PolarHBondContact O-N 3.37Å; L117-H120 VanDerWaalsContact O-N 3.14Å; L117-A121 WeakPolarHBondContact O-CB 3.39Å; L117-A121 PolarHBondContact O-N 3.39Å; L117-P126 HydrophobicContact CB-CG 4.41Å; L117-I128 HydrophobicContact CD1-CD1 3.73Å; L117-I128 HydrophobicContact CD1-CG1 4.11Å |
| 118 | Q | 87.3 | Confident | 88.3 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -31.3 | 179.7 | -70.7 | 174.8 | -39.9 | 0 | 0 | 113.2 | I114 S115 | I114-Q118 HydrophobicContact CG2-CG 4.42Å; I114-Q118 WeakPolarHBondContact O-CG 3.29Å; I114-Q118 PolarHBondContact O-N 2.97Å; S115-Q118 PolarHBondContact O-N 3.01Å |
| 119 | M | 85.9 | Confident | 88.4 | Confident | 119 Ų | 119 | 51.9 Ų | 51.9 | 59% | 0.586 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -81.6 | -17.8 | 178.5 | -71.8 | -172.8 | -68.6 | 0 | 0 | 115.1 | S115 Q116 L117 | S115-M119 WeakPolarHBondContact O-CE 3.38Å; S115-M119 WeakPolarHBondContact O-CG 3.36Å; S115-M119 PolarHBondContact O-N 3.27Å; S115-M119 VanDerWaalsContact O-N 3.11Å; Q116-M119 HydrophobicContact CG-CE 4.38Å; L117-M119 PolarHBondContact O-N 3.12Å |
| 120 | H | 84.3 | Confident | 88.5 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 30% | 0.296 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -140.4 | -15.1 | -162.2 | -62.5 | -31.9 | 0 | 0 | 0 | 115.7 | T86 F89 R90 Q116 L117 | T86-H120 HydrophobicContact CG2-CB 3.83Å; T86-H120 VanDerWaalsContact CG2-CD2 3.42Å; T86-H120 WeakPolarHBondContact CG2-CD2 3.45Å; F89-H120 HydrophobicContact CB-CB 4.46Å; F89-H120 HydrophobicContact CD2-CB 3.83Å; R90-H120 WeakPolarHBondContact CG-O 3.32Å; Q116-H120 WeakPolarHBondContact O-CB 3.44Å; Q116-H120 PolarHBondContact O-CD2 2.95Å; Q116-H120 PolarHBondContact O-N 3.47Å; L117-H120 PolarHBondContact O-N 3.37Å; L117-H120 VanDerWaalsContact O-N 3.14Å |
| 121 | A | 82.1 | Confident | 88.7 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -66.7 | 169.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F89 F95 L117 C123 P126 | F89-A121 WeakPolarHBondContact O-CA 3.47Å; F95-A121 HydrophobicContact CE2-CB 4.16Å; F95-A121 HydrophobicContact CZ-CB 4.09Å; L117-A121 WeakPolarHBondContact O-CB 3.39Å; L117-A121 PolarHBondContact O-N 3.39Å; A121-C123 PolarHBondContact O-N 2.85Å; A121-P126 HydrophobicContact CB-CB 4.12Å; A121-P126 HydrophobicContact CB-CG 4.09Å |
| 122 | Y | 78.4 | Confident | 88.9 | Confident | 106 Ų | 106 | 44.5 Ų | 44.5 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -65.2 | -18.2 | -178.9 | 79 | -90 | 0 | 0 | 0 | 114.3 | A92 R184 | A92-Y122 WeakPolarHBondContact O-CD1 3.49Å; Y122-R184 WeakPolarHBondContact OH-CD 3.35Å; Y122-R184 PolarHBondContact OH-NH1 3.19Å; Y122-R184 VanDerWaalsContact OH-NH1 3.14Å |
| 123 | C | 77.4 | Confident | 89.2 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -147.1 | 157.2 | 178.3 | 66 | 0 | 0 | 0 | 0 | 111 | A121 N125 P126 R184 | A121-C123 PolarHBondContact O-N 2.85Å; C123-N125 VanDerWaalsContact C-N 3.25Å; C123-N125 PolarHBondContact O-N 3.38Å; C123-N125 PolarHBondContact SG-O 3.28Å; C123-N125 VanDerWaalsContact SG-O 3.36Å; C123-P126 WeakPolarHBondContact O-CD 3.47Å; C123-R184 PolarHBondContact SG-NH1 3.04Å; C123-R184 VanDerWaalsContact SG-NH1 3.35Å |
| 124 | E | 72.1 | Confident | 89.5 | Confident | 158 Ų | 158 | 43 Ų | 43 | 74% | 0.738 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -58.9 | -33.9 | -179.7 | -60.2 | 178.9 | 163 | 0 | 0 | 113.5 | P126 | E124-P126 WeakPolarHBondContact O-CD 3.28Š|
| 125 | N | 80.8 | Confident | 89.8 | Confident | 115 Ų | 115 | 44 Ų | 44 | 62% | 0.615 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -119.7 | 77.1 | -179.9 | -67.1 | -39.1 | 0 | 0 | 0 | 110.5 | C123 R184 | C123-N125 VanDerWaalsContact C-N 3.25Å; C123-N125 PolarHBondContact O-N 3.38Å; C123-N125 PolarHBondContact SG-O 3.28Å; C123-N125 VanDerWaalsContact SG-O 3.36Å; N125-R184 VanDerWaalsContact O-CZ 3.3Å; N125-R184 PolarHBondContact O-NH1 3.28Å; N125-R184 PolarHBondContact O-NH2 3.36Å |
| 126 | P | 88.6 | Confident | 90.1 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -69.7 | 155.6 | 175.7 | 30.1 | -33.2 | 0 | 0 | 0 | 111.5 | F95 L117 A121 C123 E124 I128 | F95-P126 HydrophobicContact CD2-CB 3.78Å; F95-P126 HydrophobicContact CD2-CG 4.33Å; F95-P126 HydrophobicContact CE2-CB 3.53Å; F95-P126 HydrophobicContact CE2-CG 4.24Å; L117-P126 HydrophobicContact CB-CG 4.41Å; A121-P126 HydrophobicContact CB-CB 4.12Å; A121-P126 HydrophobicContact CB-CG 4.09Å; C123-P126 WeakPolarHBondContact O-CD 3.47Å; E124-P126 WeakPolarHBondContact O-CD 3.28Å; P126-I128 HydrophobicContact CG-CD1 4.12Å; P126-I128 HydrophobicContact CG-CG1 4.19Å; P126-I128 PolarHBondContact O-N 2.96Å | ||
| 127 | D | 95.3 | Very high | 90.6 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121.3 | 172.3 | -64.9 | -47.4 | 0 | 0 | 0 | 109.4 | G94 F95 L177 L180 I181 R184 | G94-D127 WeakPolarHBondContact CA-O 3.23Å; F95-D127 PolarHBondContact N-O 3.05Å; D127-L177 HydrophobicContact CB-CD1 4.05Å; D127-L180 HydrophobicContact CB-CB 4.3Å; D127-I181 HydrophobicContact CB-CD1 4.12Å; D127-I181 HydrophobicContact CB-CG1 3.78Å; D127-I181 VanDerWaalsContact OD2-CG1 3.24Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.5Å; D127-R184 VanDerWaalsContact CG-NE 3.34Å; D127-R184 IonicContact OD1-CZ 2.71Å; D127-R184 IonicContact OD1-NE 3.97Å; D127-R184 PolarHBondContact OD1-NE 3.4Å; D127-R184 IonicContact OD1-NH2 3.57Å; D127-R184 PolarHBondContact OD1-NH2 2.93Å; D127-R184 WeakPolarHBondContact OD2-CD 3.28Å; D127-R184 IonicContact OD2-CZ 3.6Å; D127-R184 VanDerWaalsContact OD2-CZ 3.24Å; D127-R184 IonicContact OD2-NE 3.87Å; D127-R184 PolarHBondContact OD2-NE 3.38Å; D127-R184 IonicContact OD2-NH2 2.82Å; D127-R184 PolarHBondContact OD2-NH2 2.83Å |
| 128 | I | 97 | Very high | 91 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.4 | -177.1 | -55.3 | 170.4 | 0 | 0 | 0 | 108.4 | F95 L97 L117 P126 I157 P158 | F95-I128 HydrophobicContact CB-CG1 4.27Å; F95-I128 HydrophobicContact CD2-CG1 4.42Å; F95-I128 WeakPolarHBondContact O-CA 3.37Å; L97-I128 HydrophobicContact CB-CG2 3.9Å; L117-I128 HydrophobicContact CD1-CD1 3.73Å; L117-I128 HydrophobicContact CD1-CG1 4.11Å; P126-I128 HydrophobicContact CG-CD1 4.12Å; P126-I128 HydrophobicContact CG-CG1 4.19Å; P126-I128 PolarHBondContact O-N 2.96Å; I128-I157 HydrophobicContact CB-CG2 4.07Å; I128-I157 HydrophobicContact CG2-CD1 4.22Å; I128-P158 WeakPolarHBondContact O-CD 3.38Å |
| 129 | V | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.5 | 163.2 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | F95 L96 L97 P158 F160 A173 M176 L177 L180 | F95-V129 PolarHBondContact O-N 2.69Å; L96-V129 HydrophobicContact CD2-CB 4.47Å; L97-V129 PolarHBondContact N-O 3.19Å; V129-P158 HydrophobicContact CG2-CB 4.31Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; V129-F160 HydrophobicContact CG1-CD2 3.59Å; V129-F160 HydrophobicContact CG1-CE2 3.87Å; V129-A173 HydrophobicContact CG1-CB 4.12Å; V129-M176 HydrophobicContact CG2-CB 4.45Å; V129-M176 HydrophobicContact CG2-CG 4.04Å; V129-L177 HydrophobicContact CB-CB 4.46Å; V129-L177 HydrophobicContact CG2-CB 3.77Å; V129-L177 HydrophobicContact CG2-CD1 4.17Å; V129-L180 HydrophobicContact CG2-CD1 4.34Å |
| 130 | L | 98.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.7 | 176.8 | -173.7 | 67.7 | 0 | 0 | 0 | 109.8 | L97 F99 V110 A152 I157 P158 Y159 F160 | L97-L130 HydrophobicContact CB-CD1 4.42Å; L97-L130 HydrophobicContact CD2-CD1 4.41Å; L97-L130 HydrophobicContact CG-CD1 4.13Å; L97-L130 WeakPolarHBondContact O-CA 3.41Å; F99-L130 HydrophobicContact CD1-CD1 3.97Å; F99-L130 HydrophobicContact CD1-CG 4.32Å; F99-L130 HydrophobicContact CE1-CD1 4.16Å; F99-L130 HydrophobicContact CE1-CD2 4.17Å; F99-L130 HydrophobicContact CE1-CG 4.01Å; V110-L130 HydrophobicContact CG1-CD1 3.63Å; V110-L130 HydrophobicContact CG2-CD1 4.17Å; L130-A152 HydrophobicContact CD2-CB 4.08Å; L130-I157 HydrophobicContact CB-CD1 3.91Å; L130-I157 HydrophobicContact CB-CG1 4.36Å; L130-P158 PolarHBondContact N-O 3.44Å; L130-Y159 HydrophobicContact CB-CD2 4.14Å; L130-Y159 HydrophobicContact CD2-CD2 3.85Å; L130-Y159 HydrophobicContact CD2-CE2 4.38Å; L130-Y159 HydrophobicContact CG-CD2 3.87Å; L130-Y159 HydrophobicContact CG-CE2 4.4Å; L130-Y159 WeakPolarHBondContact O-CA 3.4Å; L130-F160 PolarHBondContact O-N 2.84Å |
| 131 | C | 98.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.8 | -178.1 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | L97 L98 F99 N133 F160 T162 | L97-C131 PolarHBondContact O-N 2.97Å; L98-C131 WeakPolarHBondContact CA-O 3.05Å; L98-C131 HydrophobicContact CD1-CB 4.47Å; L98-C131 HydrophobicContact CG-CB 3.98Å; F99-C131 PolarHBondContact N-O 2.82Å; C131-N133 PolarHBondContact O-N 2.87Å; C131-F160 CarbonylContact C-O 3.37Å; C131-F160 WeakPolarHBondContact CA-O 3.45Å; C131-T162 HydrophobicContact CB-CG2 4.42Å |
| 132 | G | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 103.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | L101 F160 E161 T162 | L101-G132 WeakPolarHBondContact CD1-O 3.29Å; G132-F160 PolarHBondContact N-O 2.91Å; G132-E161 CarbonylContact O-C 3.52Å; G132-E161 WeakPolarHBondContact O-CA 3.24Å; G132-T162 PolarHBondContact O-N 2.7Å; G132-T162 PolarHBondContact O-OG1 2.95Å |
| 133 | N | 98.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 163.1 | -175.8 | -172.1 | 32.7 | 0 | 0 | 0 | 111.8 | V20 L98 F99 L101 C131 T162 A164 | V20-N133 PolarHBondContact O-ND2 2.76Å; L98-N133 HydrophobicContact CD2-CB 4.47Å; F99-N133 PolarHBondContact O-N 3.33Å; L101-N133 WeakPolarHBondContact CB-O 3.31Å; L101-N133 PolarHBondContact N-O 2.95Å; C131-N133 PolarHBondContact O-N 2.87Å; N133-T162 CarbonylContact C-O 3.53Å; N133-T162 VanDerWaalsContact CA-O 3.28Å; N133-T162 WeakPolarHBondContact CA-O 3.5Å; N133-T162 WeakPolarHBondContact CA-OG1 3.49Å; N133-T162 PolarHBondContact OD1-O 3.42Å; N133-A164 PolarHBondContact OD1-N 3.42Å |
| 134 | K | 98.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 22% | 0.222 | 28% | 0.276 | C | S | . | . | trans | 71 | 35.8 | -177.1 | -44.5 | -172.3 | -160.2 | 161.7 | 0 | 114.5 | G19 D100 D136 L137 T162 | G19-K134 WeakPolarHBondContact O-CE 3.48Å; G19-K134 PolarHBondContact O-NZ 2.75Å; G19-K134 VanDerWaalsContact O-NZ 3.1Å; D100-K134 VanDerWaalsContact CG-NZ 3.27Å; D100-K134 VanDerWaalsContact OD1-CD 3.24Å; D100-K134 WeakPolarHBondContact OD1-CD 3.43Å; D100-K134 WeakPolarHBondContact OD1-CE 3.39Å; D100-K134 IonicContact OD1-NZ 2.82Å; D100-K134 PolarHBondContact OD1-NZ 3.2Å; D100-K134 WeakPolarHBondContact OD2-CE 3.42Å; D100-K134 IonicContact OD2-NZ 3.74Å; D100-K134 PolarHBondContact OD2-NZ 2.91Å; K134-D136 WeakPolarHBondContact CA-OD1 3.36Å; K134-D136 PolarHBondContact O-N 3.35Å; K134-D136 VanDerWaalsContact O-N 3.07Å; K134-L137 HydrophobicContact CB-CD1 4.14Å; K134-L137 HydrophobicContact CB-CG 4.36Å; K134-L137 HydrophobicContact CD-CD1 4.1Å; K134-L137 PolarHBondContact O-N 3.4Å; K134-T162 PolarHBondContact N-O 2.8Å | ||
| 135 | S | 98.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -8.3 | 172.8 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | L137 T162 | S135-L137 VanDerWaalsContact C-N 3.27Å; S135-T162 PolarHBondContact N-O 3.36Å; S135-T162 VanDerWaalsContact N-O 3.08Å; S135-T162 VanDerWaalsContact OG-C 3.26Å; S135-T162 PolarHBondContact OG-O 3.14Å; S135-T162 VanDerWaalsContact OG-O 3.07Å |
| 136 | D | 98 | Very high | 97.4 | Very high | 64 Ų | 64 | 53.3 Ų | 53.3 | 34% | 0.342 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.8 | 168.1 | 55.3 | -71.5 | 0 | 0 | 0 | 114.3 | K134 S163 A165 | K134-D136 WeakPolarHBondContact CA-OD1 3.36Å; K134-D136 PolarHBondContact O-N 3.35Å; K134-D136 VanDerWaalsContact O-N 3.07Å; D136-S163 VanDerWaalsContact OD1-CB 3.23Å; D136-S163 WeakPolarHBondContact OD1-CB 3.46Å; D136-S163 PolarHBondContact OD1-OG 3.17Å; D136-A165 WeakPolarHBondContact OD2-CB 3.45Å |
| 137 | L | 97.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 29% | 0.293 | 28% | 0.281 | S | S | . | . | trans | -106.7 | 47.3 | -176.3 | -57.1 | -177.1 | 0 | 0 | 0 | 112.5 | T102 K134 S135 D139 Q140 R141 | T102-L137 HydrophobicContact CG2-CB 3.67Å; T102-L137 HydrophobicContact CG2-CD1 4.06Å; K134-L137 HydrophobicContact CB-CD1 4.14Å; K134-L137 HydrophobicContact CB-CG 4.36Å; K134-L137 HydrophobicContact CD-CD1 4.1Å; K134-L137 PolarHBondContact O-N 3.4Å; S135-L137 VanDerWaalsContact C-N 3.27Å; L137-D139 VanDerWaalsContact C-N 3.27Å; L137-D139 PolarHBondContact O-N 2.87Å; L137-Q140 HydrophobicContact CB-CB 4.42Å; L137-Q140 WeakPolarHBondContact O-CA 3.37Å; L137-Q140 PolarHBondContact O-N 2.99Å; L137-R141 PolarHBondContact O-N 2.78Å | ||
| 138 | E | 97.1 | Very high | 98 | Very high | 102 Ų | 102 | 56.1 Ų | 56.1 | 48% | 0.477 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -54.7 | -38.7 | -175 | -167.9 | 62.2 | -159.5 | 0 | 0 | 113.4 | Q140 R141 | E138-Q140 PolarHBondContact O-N 3.13Å; E138-R141 VanDerWaalsContact CD-NH1 3.3Å; E138-R141 WeakPolarHBondContact O-CB 3.35Å; E138-R141 PolarHBondContact O-N 3.47Å; E138-R141 WeakPolarHBondContact OE1-CD 3.34Å; E138-R141 IonicContact OE1-CZ 2.7Å; E138-R141 IonicContact OE1-NE 2.68Å; E138-R141 IonicContact OE1-NH1 3.85Å; E138-R141 PolarHBondContact OE1-NH1 3.29Å; E138-R141 IonicContact OE2-CZ 3.34Å; E138-R141 IonicContact OE2-NH1 3.42Å; E138-R141 PolarHBondContact OE2-NH1 2.91Å |
| 139 | D | 97.5 | Very high | 98.1 | Very high | 172 Ų | 172 | 57.9 Ų | 57.9 | 92% | 0.92 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -61.8 | -15.3 | 176.2 | -64.1 | -40.6 | 0 | 0 | 0 | 114 | L137 | L137-D139 VanDerWaalsContact C-N 3.27Å; L137-D139 PolarHBondContact O-N 2.87Å |
| 140 | Q | 97.8 | Very high | 98.1 | Very high | 122 Ų | 122 | 60.4 Ų | 60.4 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -112.7 | 9 | 179.6 | -65.8 | 173.4 | 65.8 | 0 | 0 | 112.3 | T102 L137 E138 A142 | T102-Q140 VanDerWaalsContact CA-O 3.31Å; T102-Q140 WeakPolarHBondContact CA-O 3.44Å; T102-Q140 VanDerWaalsContact CB-O 3.26Å; T102-Q140 WeakPolarHBondContact CB-O 3.38Å; T102-Q140 HydrophobicContact CG2-CB 3.73Å; L137-Q140 HydrophobicContact CB-CB 4.42Å; L137-Q140 WeakPolarHBondContact O-CA 3.37Å; L137-Q140 PolarHBondContact O-N 2.99Å; E138-Q140 PolarHBondContact O-N 3.13Å; Q140-A142 PolarHBondContact O-N 3.02Å |
| 141 | R | 98.4 | Very high | 98 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 26% | 0.26 | 31% | 0.311 | S | S | . | . | trans | -62.2 | 123.9 | -176.5 | -171.3 | 173.8 | -165.5 | 157.5 | 10.4 | 111.6 | L137 E138 V143 E161 | L137-R141 PolarHBondContact O-N 2.78Å; E138-R141 VanDerWaalsContact CD-NH1 3.3Å; E138-R141 WeakPolarHBondContact O-CB 3.35Å; E138-R141 PolarHBondContact O-N 3.47Å; E138-R141 WeakPolarHBondContact OE1-CD 3.34Å; E138-R141 IonicContact OE1-CZ 2.7Å; E138-R141 IonicContact OE1-NE 2.68Å; E138-R141 IonicContact OE1-NH1 3.85Å; E138-R141 PolarHBondContact OE1-NH1 3.29Å; E138-R141 IonicContact OE2-CZ 3.34Å; E138-R141 IonicContact OE2-NH1 3.42Å; E138-R141 PolarHBondContact OE2-NH1 2.91Å; R141-V143 VanDerWaalsContact CG-O 3.26Å; R141-V143 WeakPolarHBondContact CG-O 3.45Å; R141-V143 PolarHBondContact NE-O 3.46Å; R141-E161 IonicContact CZ-OE1 3.13Å; R141-E161 IonicContact CZ-OE2 3.39Å; R141-E161 IonicContact NH1-OE2 3.22Å; R141-E161 IonicContact NH2-OE1 3.27Å; R141-E161 PolarHBondContact NH2-OE1 2.69Å; R141-E161 IonicContact NH2-OE2 2.73Å; R141-E161 PolarHBondContact NH2-OE2 3.42Å | ||
| 142 | A | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 60.9 Ų | 60.9 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | trans | -111.9 | -14.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L101 E104 Q140 | L101-A142 PolarHBondContact O-N 2.83Å; E104-A142 HydrophobicContact CB-CB 4.38Å; Q140-A142 PolarHBondContact O-N 3.02Å | ||
| 143 | V | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -118.2 | 127.3 | 179.8 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | F99 L101 F107 R141 A148 | F99-V143 HydrophobicContact CD2-CG2 4.45Å; F99-V143 HydrophobicContact CE2-CB 4.13Å; F99-V143 HydrophobicContact CE2-CG1 3.84Å; F99-V143 HydrophobicContact CE2-CG2 4.2Å; F99-V143 HydrophobicContact CZ-CG1 4.35Å; L101-V143 HydrophobicContact CD2-CB 4.38Å; L101-V143 PolarHBondContact O-N 3.13Å; F107-V143 HydrophobicContact CB-CG1 4.23Å; F107-V143 HydrophobicContact CB-CG2 3.68Å; F107-V143 HydrophobicContact CD1-CG1 3.78Å; F107-V143 HydrophobicContact CD1-CG2 4.34Å; F107-V143 HydrophobicContact CD2-CG1 4.01Å; F107-V143 HydrophobicContact CE1-CG1 4.09Å; F107-V143 HydrophobicContact CE2-CG1 4.31Å; F107-V143 HydrophobicContact CG-CG1 3.74Å; F107-V143 HydrophobicContact CG-CG2 4.1Å; F107-V143 HydrophobicContact CZ-CG1 4.35Å; R141-V143 VanDerWaalsContact CG-O 3.26Å; R141-V143 WeakPolarHBondContact CG-O 3.45Å; R141-V143 PolarHBondContact NE-O 3.46Å; V143-A148 HydrophobicContact CG1-CB 4.44Å |
| 144 | K | 97.9 | Very high | 97.9 | Very high | 123 Ų | 123 | 74.8 Ų | 74.8 | 54% | 0.535 | 38% | 0.375 | S | S | . | . | trans | -79.8 | 147.8 | 178.2 | -62.1 | 177.4 | -172.6 | 158.1 | 0 | 111.3 | E146 E147 A148 | K144-E146 VanDerWaalsContact C-N 3.3Å; K144-E146 WeakPolarHBondContact CB-OE2 3.36Å; K144-E146 PolarHBondContact O-N 2.82Å; K144-E147 HydrophobicContact CB-CB 4.42Å; K144-E147 HydrophobicContact CB-CG 4.12Å; K144-E147 PolarHBondContact N-OE2 2.9Å; K144-E147 IonicContact NZ-OE1 3.78Å; K144-E147 PolarHBondContact O-N 2.85Å; K144-A148 PolarHBondContact O-N 2.78Å | ||
| 145 | E | 97.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 75.9 Ų | 75.9 | 49% | 0.486 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 178.2 | -166.8 | 177.6 | 164.2 | 0 | 0 | 111.1 | E147 A148 V149 Y159 | E145-E147 VanDerWaalsContact C-N 3.29Å; E145-E147 PolarHBondContact O-N 2.89Å; E145-A148 PolarHBondContact O-N 2.88Å; E145-V149 HydrophobicContact CG-CG2 4.25Å; E145-V149 WeakPolarHBondContact O-CB 3.32Å; E145-V149 VanDerWaalsContact O-CG2 3.32Å; E145-V149 WeakPolarHBondContact O-CG2 3.3Å; E145-V149 PolarHBondContact O-N 2.79Å; E145-Y159 HydrophobicContact CG-CE1 4.49Å |
| 146 | E | 98 | Very high | 97.6 | Very high | 138 Ų | 138 | 77.9 Ų | 77.9 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.4 | -32.6 | -176.8 | -52.9 | 89.3 | 161.8 | 0 | 0 | 112.5 | K144 A150 | K144-E146 VanDerWaalsContact C-N 3.3Å; K144-E146 WeakPolarHBondContact CB-OE2 3.36Å; K144-E146 PolarHBondContact O-N 2.82Å; E146-A150 WeakPolarHBondContact O-CB 3.37Å; E146-A150 PolarHBondContact O-N 3.3Å |
| 147 | E | 97.9 | Very high | 97.6 | Very high | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 177 | -68.2 | 169.5 | 168.4 | 0 | 0 | 110.9 | F107 K144 E145 L151 | F107-E147 HydrophobicContact CE1-CB 4.28Å; F107-E147 HydrophobicContact CZ-CB 4.38Å; F107-E147 WeakPolarHBondContact CZ-O 3.26Å; K144-E147 HydrophobicContact CB-CB 4.42Å; K144-E147 HydrophobicContact CB-CG 4.12Å; K144-E147 PolarHBondContact N-OE2 2.9Å; K144-E147 IonicContact NZ-OE1 3.78Å; K144-E147 PolarHBondContact O-N 2.85Å; E145-E147 VanDerWaalsContact C-N 3.29Å; E145-E147 PolarHBondContact O-N 2.89Å; E147-L151 WeakPolarHBondContact O-CB 3.45Å; E147-L151 PolarHBondContact O-N 2.86Å; E147-L151 VanDerWaalsContact O-N 3.07Å |
| 148 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.2 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F99 F107 V143 K144 E145 L151 A152 Y159 | F99-A148 HydrophobicContact CE1-CB 4.44Å; F99-A148 HydrophobicContact CZ-CB 3.81Å; F107-A148 HydrophobicContact CE2-CB 3.97Å; F107-A148 HydrophobicContact CZ-CB 4.38Å; V143-A148 HydrophobicContact CG1-CB 4.44Å; K144-A148 PolarHBondContact O-N 2.78Å; E145-A148 PolarHBondContact O-N 2.88Å; A148-L151 PolarHBondContact O-N 3.13Å; A148-A152 WeakPolarHBondContact O-CB 3.46Å; A148-A152 PolarHBondContact O-N 3.49Å; A148-Y159 HydrophobicContact CB-CD1 4.46Å; A148-Y159 HydrophobicContact CB-CE1 3.76Å; A148-Y159 HydrophobicContact CB-CE2 3.82Å; A148-Y159 WeakPolarHBondContact CB-OH 3.41Å |
| 149 | V | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 72 Ų | 72 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 172.3 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | E145 L151 A152 E153 Y159 | E145-V149 HydrophobicContact CG-CG2 4.25Å; E145-V149 WeakPolarHBondContact O-CB 3.32Å; E145-V149 VanDerWaalsContact O-CG2 3.32Å; E145-V149 WeakPolarHBondContact O-CG2 3.3Å; E145-V149 PolarHBondContact O-N 2.79Å; V149-L151 PolarHBondContact O-N 3.15Å; V149-A152 WeakPolarHBondContact O-CB 3.33Å; V149-A152 PolarHBondContact O-N 3.36Å; V149-E153 HydrophobicContact CG1-CG 4.27Å; V149-E153 WeakPolarHBondContact O-CG 3.29Å; V149-E153 PolarHBondContact O-N 2.91Å; V149-Y159 HydrophobicContact CG2-CD1 3.82Å; V149-Y159 HydrophobicContact CG2-CE1 4.22Å |
| 150 | A | 98.4 | Very high | 97.8 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -31.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | E146 K154 | E146-A150 WeakPolarHBondContact O-CB 3.37Å; E146-A150 PolarHBondContact O-N 3.3Å; A150-K154 VanDerWaalsContact O-CB 3.29Å; A150-K154 WeakPolarHBondContact O-CB 3.47Å; A150-K154 PolarHBondContact O-N 2.85Å |
| 151 | L | 97.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 172 | -168.7 | 72.6 | 0 | 0 | 0 | 111.4 | F107 V110 R111 E147 A148 V149 K154 Y155 | F107-L151 HydrophobicContact CD2-CD2 4.18Å; F107-L151 HydrophobicContact CE2-CB 4.15Å; F107-L151 HydrophobicContact CE2-CD2 3.43Å; F107-L151 VanDerWaalsContact CE2-CD2 3.43Å; F107-L151 HydrophobicContact CE2-CG 4.4Å; F107-L151 HydrophobicContact CZ-CB 3.98Å; F107-L151 HydrophobicContact CZ-CD2 3.76Å; F107-L151 HydrophobicContact CZ-CG 4.43Å; V110-L151 HydrophobicContact CB-CD2 4.04Å; V110-L151 HydrophobicContact CG1-CD2 3.75Å; R111-L151 HydrophobicContact CG-CD1 4.14Å; E147-L151 WeakPolarHBondContact O-CB 3.45Å; E147-L151 PolarHBondContact O-N 2.86Å; E147-L151 VanDerWaalsContact O-N 3.07Å; A148-L151 PolarHBondContact O-N 3.13Å; V149-L151 PolarHBondContact O-N 3.15Å; L151-K154 PolarHBondContact O-N 3.41Å; L151-Y155 HydrophobicContact CD1-CD2 4.32Å; L151-Y155 HydrophobicContact CD1-CE2 3.8Å; L151-Y155 HydrophobicContact CG-CD2 4.27Å; L151-Y155 HydrophobicContact CG-CE2 4.16Å; L151-Y155 VanDerWaalsContact O-CD2 3.25Å; L151-Y155 WeakPolarHBondContact O-CD2 2.86Å; L151-Y155 PolarHBondContact O-N 2.7Å |
| 152 | A | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L130 A148 V149 K154 Y155 G156 I157 Y159 | L130-A152 HydrophobicContact CD2-CB 4.08Å; A148-A152 WeakPolarHBondContact O-CB 3.46Å; A148-A152 PolarHBondContact O-N 3.49Å; V149-A152 WeakPolarHBondContact O-CB 3.33Å; V149-A152 PolarHBondContact O-N 3.36Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 3.11Å; A152-Y155 CarbonylContact O-C 3.59Å; A152-Y155 PolarHBondContact O-N 2.95Å; A152-Y155 VanDerWaalsContact O-N 3.16Å; A152-G156 PolarHBondContact O-N 2.97Å; A152-I157 HydrophobicContact CB-CG1 4.24Å; A152-I157 WeakPolarHBondContact CB-O 3.27Å; A152-I157 PolarHBondContact O-N 3.34Å; A152-I157 VanDerWaalsContact O-N 3.08Å; A152-Y159 HydrophobicContact CB-CG 4.49Å |
| 153 | E | 97.8 | Very high | 97.9 | Very high | 147 Ų | 147 | 55.6 Ų | 55.6 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57.2 | -44.4 | 173.8 | -72 | -175.7 | 156.9 | 0 | 0 | 111.8 | V149 Y155 G156 | V149-E153 HydrophobicContact CG1-CG 4.27Å; V149-E153 WeakPolarHBondContact O-CG 3.29Å; V149-E153 PolarHBondContact O-N 2.91Å; E153-Y155 PolarHBondContact O-N 3.15Å; E153-G156 PolarHBondContact O-N 2.76Å |
| 154 | K | 96.8 | Very high | 97.8 | Very high | 148 Ų | 148 | 55.7 Ų | 55.7 | 64% | 0.643 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.2 | -32.4 | 178.1 | 178.4 | 179.5 | 178.2 | -179.1 | 0 | 113.3 | A150 L151 A152 | A150-K154 VanDerWaalsContact O-CB 3.29Å; A150-K154 WeakPolarHBondContact O-CB 3.47Å; A150-K154 PolarHBondContact O-N 2.85Å; L151-K154 PolarHBondContact O-N 3.41Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 3.11Å |
| 155 | Y | 95.1 | Very high | 97.7 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -97.3 | -4.2 | 177 | -70.8 | -71.7 | 0 | 0 | 0 | 113.6 | I114 L151 A152 E153 I157 | I114-Y155 HydrophobicContact CB-CE1 4.49Å; I114-Y155 HydrophobicContact CD1-CD1 4.16Å; I114-Y155 HydrophobicContact CD1-CD2 3.46Å; I114-Y155 VanDerWaalsContact CD1-CD2 3.46Å; I114-Y155 HydrophobicContact CD1-CE1 4.27Å; I114-Y155 HydrophobicContact CD1-CE2 3.61Å; I114-Y155 HydrophobicContact CD1-CG 3.76Å; I114-Y155 HydrophobicContact CG2-CD1 3.86Å; I114-Y155 HydrophobicContact CG2-CE1 3.75Å; I114-Y155 HydrophobicContact CG2-CG 4.48Å; L151-Y155 HydrophobicContact CD1-CD2 4.32Å; L151-Y155 HydrophobicContact CD1-CE2 3.8Å; L151-Y155 HydrophobicContact CG-CD2 4.27Å; L151-Y155 HydrophobicContact CG-CE2 4.16Å; L151-Y155 VanDerWaalsContact O-CD2 3.25Å; L151-Y155 WeakPolarHBondContact O-CD2 2.86Å; L151-Y155 PolarHBondContact O-N 2.7Å; A152-Y155 CarbonylContact O-C 3.59Å; A152-Y155 PolarHBondContact O-N 2.95Å; A152-Y155 VanDerWaalsContact O-N 3.16Å; E153-Y155 PolarHBondContact O-N 3.15Å; Y155-I157 VanDerWaalsContact C-N 3.34Å |
| 156 | G | 96.3 | Very high | 97.7 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 30.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | A152 E153 | A152-G156 PolarHBondContact O-N 2.97Å; E153-G156 PolarHBondContact O-N 2.76Å |
| 157 | I | 97.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | trans | -112.8 | 146.1 | -175.7 | 62.1 | -179 | 0 | 0 | 0 | 111.3 | I114 I128 L130 A152 Y155 | I114-I157 HydrophobicContact CD1-CD1 4.16Å; I128-I157 HydrophobicContact CB-CG2 4.07Å; I128-I157 HydrophobicContact CG2-CD1 4.22Å; L130-I157 HydrophobicContact CB-CD1 3.91Å; L130-I157 HydrophobicContact CB-CG1 4.36Å; A152-I157 HydrophobicContact CB-CG1 4.24Å; A152-I157 WeakPolarHBondContact CB-O 3.27Å; A152-I157 PolarHBondContact O-N 3.34Å; A152-I157 VanDerWaalsContact O-N 3.08Å; Y155-I157 VanDerWaalsContact C-N 3.34Å | ||
| 158 | P | 98.4 | Very high | 97.7 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | trans | -64.6 | 147 | 173.2 | -21 | 33.6 | 0 | 0 | 0 | 112.2 | I128 V129 L130 F160 M176 L180 | I128-P158 WeakPolarHBondContact O-CD 3.38Å; V129-P158 HydrophobicContact CG2-CB 4.31Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; L130-P158 PolarHBondContact N-O 3.44Å; P158-F160 HydrophobicContact CB-CE2 4.05Å; P158-M176 HydrophobicContact CB-CG 3.95Å; P158-M176 HydrophobicContact CG-CG 3.84Å; P158-M176 HydrophobicContact CG-SD 4.18Å; P158-L180 HydrophobicContact CG-CD1 4.09Å | ||
| 159 | Y | 98.7 | Very high | 97.7 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.1 | 174.5 | 177.7 | -122.6 | 0 | 0 | 0 | 111.2 | F99 L130 E145 A148 V149 A152 E161 | F99-Y159 AromaticContact CE1-CE2 3.71Å; F99-Y159 HydrophobicContact CE1-CE2 3.71Å; F99-Y159 AromaticContact CZ-CE2 3.78Å; F99-Y159 HydrophobicContact CZ-CE2 3.78Å; L130-Y159 HydrophobicContact CB-CD2 4.14Å; L130-Y159 HydrophobicContact CD2-CD2 3.85Å; L130-Y159 HydrophobicContact CD2-CE2 4.38Å; L130-Y159 HydrophobicContact CG-CD2 3.87Å; L130-Y159 HydrophobicContact CG-CE2 4.4Å; L130-Y159 WeakPolarHBondContact O-CA 3.4Å; E145-Y159 HydrophobicContact CG-CE1 4.49Å; A148-Y159 HydrophobicContact CB-CD1 4.46Å; A148-Y159 HydrophobicContact CB-CE1 3.76Å; A148-Y159 HydrophobicContact CB-CE2 3.82Å; A148-Y159 WeakPolarHBondContact CB-OH 3.41Å; V149-Y159 HydrophobicContact CG2-CD1 3.82Å; V149-Y159 HydrophobicContact CG2-CE1 4.22Å; A152-Y159 HydrophobicContact CB-CG 4.49Å; Y159-E161 HydrophobicContact CE1-CG 3.63Å; Y159-E161 WeakPolarHBondContact OH-CG 3.4Å; Y159-E161 PolarHBondContact OH-OE1 3.34Å |
| 160 | F | 98.8 | Very high | 97.7 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 134.9 | 170.2 | -64.9 | -91.7 | 0 | 0 | 0 | 111 | V129 L130 C131 G132 P158 T162 N169 Q172 A173 M176 | V129-F160 HydrophobicContact CG1-CD2 3.59Å; V129-F160 HydrophobicContact CG1-CE2 3.87Å; L130-F160 PolarHBondContact O-N 2.84Å; C131-F160 CarbonylContact C-O 3.37Å; C131-F160 WeakPolarHBondContact CA-O 3.45Å; G132-F160 PolarHBondContact N-O 2.91Å; P158-F160 HydrophobicContact CB-CE2 4.05Å; F160-T162 HydrophobicContact CB-CG2 3.99Å; F160-N169 HydrophobicContact CB-CB 4.33Å; F160-N169 HydrophobicContact CD1-CB 4.29Å; F160-Q172 HydrophobicContact CD1-CB 4.3Å; F160-Q172 HydrophobicContact CE1-CB 3.93Å; F160-A173 HydrophobicContact CB-CB 4.13Å; F160-A173 HydrophobicContact CD2-CB 3.75Å; F160-A173 HydrophobicContact CE2-CB 4.34Å; F160-A173 HydrophobicContact CG-CB 3.95Å; F160-M176 HydrophobicContact CE2-CB 3.84Å; F160-M176 HydrophobicContact CE2-CG 3.91Å; F160-M176 HydrophobicContact CZ-CB 3.89Å; F160-M176 HydrophobicContact CZ-CE 4.35Å; F160-M176 HydrophobicContact CZ-CG 4.13Å |
| 161 | E | 98.8 | Very high | 97.6 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.5 | 164.3 | -53.6 | -142.7 | 138.2 | 0 | 0 | 108.8 | L101 G132 R141 Y159 N169 | L101-E161 HydrophobicContact CD1-CB 4.37Å; L101-E161 WeakPolarHBondContact CD2-OE1 3.39Å; G132-E161 CarbonylContact O-C 3.52Å; G132-E161 WeakPolarHBondContact O-CA 3.24Å; R141-E161 IonicContact CZ-OE1 3.13Å; R141-E161 IonicContact CZ-OE2 3.39Å; R141-E161 IonicContact NH1-OE2 3.22Å; R141-E161 IonicContact NH2-OE1 3.27Å; R141-E161 PolarHBondContact NH2-OE1 2.69Å; R141-E161 IonicContact NH2-OE2 2.73Å; R141-E161 PolarHBondContact NH2-OE2 3.42Å; Y159-E161 HydrophobicContact CE1-CG 3.63Å; Y159-E161 WeakPolarHBondContact OH-CG 3.4Å; Y159-E161 PolarHBondContact OH-OE1 3.34Å; E161-N169 VanDerWaalsContact O-CB 3.28Å; E161-N169 WeakPolarHBondContact O-CB 3.35Å; E161-N169 PolarHBondContact O-ND2 2.86Å |
| 162 | T | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 154.1 | -167.6 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | C131 G132 N133 K134 S135 F160 T168 N169 I170 A173 | C131-T162 HydrophobicContact CB-CG2 4.42Å; G132-T162 PolarHBondContact O-N 2.7Å; G132-T162 PolarHBondContact O-OG1 2.95Å; N133-T162 CarbonylContact C-O 3.53Å; N133-T162 VanDerWaalsContact CA-O 3.28Å; N133-T162 WeakPolarHBondContact CA-O 3.5Å; N133-T162 WeakPolarHBondContact CA-OG1 3.49Å; N133-T162 PolarHBondContact OD1-O 3.42Å; K134-T162 PolarHBondContact N-O 2.8Å; S135-T162 PolarHBondContact N-O 3.36Å; S135-T162 VanDerWaalsContact N-O 3.08Å; S135-T162 VanDerWaalsContact OG-C 3.26Å; S135-T162 PolarHBondContact OG-O 3.14Å; S135-T162 VanDerWaalsContact OG-O 3.07Å; F160-T162 HydrophobicContact CB-CG2 3.99Å; T162-T168 VanDerWaalsContact CA-O 3.28Å; T162-T168 WeakPolarHBondContact CA-O 3.32Å; T162-N169 HydrophobicContact CG2-CB 4.02Å; T162-I170 HydrophobicContact CG2-CG1 4.46Å; T162-A173 HydrophobicContact CG2-CB 4.4Å |
| 163 | S | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -135.9 | 116 | 170.7 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | D136 A165 N166 G167 T168 I170 | D136-S163 VanDerWaalsContact OD1-CB 3.23Å; D136-S163 WeakPolarHBondContact OD1-CB 3.46Å; D136-S163 PolarHBondContact OD1-OG 3.17Å; S163-A165 PolarHBondContact O-N 3.48Å; S163-A165 PolarHBondContact OG-N 3.08Å; S163-A165 VanDerWaalsContact OG-N 3.13Å; S163-N166 VanDerWaalsContact CB-OD1 3.27Å; S163-N166 WeakPolarHBondContact CB-OD1 3.5Å; S163-N166 PolarHBondContact OG-N 2.95Å; S163-N166 PolarHBondContact OG-OD1 3.23Å; S163-G167 CarbonylContact O-C 3.58Å; S163-G167 VanDerWaalsContact O-CA 3.26Å; S163-G167 WeakPolarHBondContact O-CA 3.4Å; S163-G167 PolarHBondContact O-N 2.73Å; S163-T168 PolarHBondContact N-O 3.45Å; S163-T168 VanDerWaalsContact N-O 3.08Å; S163-T168 PolarHBondContact O-N 3.13Å; S163-I170 VanDerWaalsContact O-CD1 3.3Å; S163-I170 WeakPolarHBondContact O-CD1 3.48Å | ||
| 164 | A | 97.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V25 Q28 F34 N133 I170 | V25-A164 HydrophobicContact CG2-CB 3.99Å; Q28-A164 WeakPolarHBondContact CG-O 3.31Å; Q28-A164 PolarHBondContact OE1-O 3.24Å; F34-A164 WeakPolarHBondContact CB-O 3.23Å; F34-A164 HydrophobicContact CD2-CB 4.11Å; F34-A164 WeakPolarHBondContact CD2-O 3.45Å; F34-A164 HydrophobicContact CE2-CB 4.16Å; N133-A164 PolarHBondContact OD1-N 3.42Å; A164-I170 HydrophobicContact CB-CD1 4.31Å |
| 165 | A | 96.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -37.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | F34 D136 S163 | F34-A165 HydrophobicContact CD1-CB 4.25Å; F34-A165 HydrophobicContact CD2-CB 4.48Å; F34-A165 HydrophobicContact CE1-CB 4.18Å; F34-A165 HydrophobicContact CE2-CB 4.42Å; F34-A165 HydrophobicContact CG-CB 4.4Å; F34-A165 HydrophobicContact CZ-CB 4.27Å; D136-A165 WeakPolarHBondContact OD2-CB 3.45Å; S163-A165 PolarHBondContact O-N 3.48Å; S163-A165 PolarHBondContact OG-N 3.08Å; S163-A165 VanDerWaalsContact OG-N 3.13Å |
| 166 | N | 96.3 | Very high | 97.8 | Very high | 92 Ų | 92 | 38.5 Ų | 38.5 | 49% | 0.492 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -6 | -177.1 | 66.8 | 31.5 | 0 | 0 | 0 | 114.4 | S163 T168 | S163-N166 VanDerWaalsContact CB-OD1 3.27Å; S163-N166 WeakPolarHBondContact CB-OD1 3.5Å; S163-N166 PolarHBondContact OG-N 2.95Å; S163-N166 PolarHBondContact OG-OD1 3.23Å; N166-T168 WeakPolarHBondContact OD1-CB 3.45Å; N166-T168 PolarHBondContact OD1-N 3.04Å; N166-T168 PolarHBondContact OD1-OG1 2.68Å |
| 167 | G | 97.3 | Very high | 97.9 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 22% | 0.216 | 19% | 0.194 | C | C | . | . | trans | 88.7 | 0.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S163 N169 I170 | S163-G167 CarbonylContact O-C 3.58Å; S163-G167 VanDerWaalsContact O-CA 3.26Å; S163-G167 WeakPolarHBondContact O-CA 3.4Å; S163-G167 PolarHBondContact O-N 2.73Å; G167-N169 PolarHBondContact O-N 3.37Å; G167-I170 PolarHBondContact O-N 3.22Å | ||
| 168 | T | 98.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 128 | -177 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | T162 S163 N166 I170 | T162-T168 VanDerWaalsContact CA-O 3.28Å; T162-T168 WeakPolarHBondContact CA-O 3.32Å; S163-T168 PolarHBondContact N-O 3.45Å; S163-T168 VanDerWaalsContact N-O 3.08Å; S163-T168 PolarHBondContact O-N 3.13Å; N166-T168 WeakPolarHBondContact OD1-CB 3.45Å; N166-T168 PolarHBondContact OD1-N 3.04Å; N166-T168 PolarHBondContact OD1-OG1 2.68Å; T168-I170 PolarHBondContact O-N 3Å |
| 169 | N | 98.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 34.6 Ų | 34.6 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 4.6 | 177.7 | -62.8 | -30.9 | 0 | 0 | 0 | 117.8 | F160 E161 T162 G167 Q172 A173 | F160-N169 HydrophobicContact CB-CB 4.33Å; F160-N169 HydrophobicContact CD1-CB 4.29Å; E161-N169 VanDerWaalsContact O-CB 3.28Å; E161-N169 WeakPolarHBondContact O-CB 3.35Å; E161-N169 PolarHBondContact O-ND2 2.86Å; T162-N169 HydrophobicContact CG2-CB 4.02Å; G167-N169 PolarHBondContact O-N 3.37Å; N169-Q172 PolarHBondContact O-N 3.27Å; N169-Q172 PolarHBondContact OD1-NE2 2.84Å; N169-Q172 VanDerWaalsContact OD1-NE2 3.16Å; N169-A173 WeakPolarHBondContact O-CB 3.43Å; N169-A173 PolarHBondContact O-N 2.82Å |
| 170 | I | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -45.6 | -177.5 | -73.5 | -178.2 | 0 | 0 | 0 | 111.8 | V25 Q28 Y29 T162 S163 A164 G167 T168 I174 | V25-I170 HydrophobicContact CB-CD1 4.3Å; V25-I170 HydrophobicContact CG1-CD1 4.11Å; V25-I170 HydrophobicContact CG1-CG1 4.15Å; V25-I170 HydrophobicContact CG1-CG2 4.15Å; V25-I170 HydrophobicContact CG2-CD1 4.11Å; Q28-I170 HydrophobicContact CB-CD1 3.9Å; Q28-I170 HydrophobicContact CG-CD1 3.83Å; Y29-I170 HydrophobicContact CD2-CG2 4.16Å; Y29-I170 HydrophobicContact CG-CG2 4.34Å; T162-I170 HydrophobicContact CG2-CG1 4.46Å; S163-I170 VanDerWaalsContact O-CD1 3.3Å; S163-I170 WeakPolarHBondContact O-CD1 3.48Å; A164-I170 HydrophobicContact CB-CD1 4.31Å; G167-I170 PolarHBondContact O-N 3.22Å; T168-I170 PolarHBondContact O-N 3Å; I170-I174 HydrophobicContact CG2-CD1 4.06Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3Å |
| 171 | S | 97.4 | Very high | 97.3 | Very high | 44 Ų | 44 | 33.3 Ų | 33.3 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.4 | -62 | 0 | 0 | 0 | 0 | 110.8 | A173 I174 E175 | S171-A173 PolarHBondContact O-N 2.81Å; S171-I174 PolarHBondContact O-N 2.97Å; S171-E175 VanDerWaalsContact O-CB 3.25Å; S171-E175 WeakPolarHBondContact O-CB 3.45Å; S171-E175 VanDerWaalsContact O-CG 3.24Å; S171-E175 WeakPolarHBondContact O-CG 3.18Å; S171-E175 PolarHBondContact O-N 2.84Å |
| 172 | Q | 98.3 | Very high | 97 | Very high | 89 Ų | 89 | 32.2 Ų | 32.2 | 42% | 0.416 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.5 | -43.2 | -179.2 | -63.5 | 91.8 | -53.4 | 0 | 0 | 112.6 | F160 N169 M176 | F160-Q172 HydrophobicContact CD1-CB 4.3Å; F160-Q172 HydrophobicContact CE1-CB 3.93Å; N169-Q172 PolarHBondContact O-N 3.27Å; N169-Q172 PolarHBondContact OD1-NE2 2.84Å; N169-Q172 VanDerWaalsContact OD1-NE2 3.16Å; Q172-M176 VanDerWaalsContact O-CB 3.23Å; Q172-M176 WeakPolarHBondContact O-CB 3.45Å; Q172-M176 PolarHBondContact O-N 2.94Å |
| 173 | A | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V129 F160 T162 N169 S171 L177 | V129-A173 HydrophobicContact CG1-CB 4.12Å; F160-A173 HydrophobicContact CB-CB 4.13Å; F160-A173 HydrophobicContact CD2-CB 3.75Å; F160-A173 HydrophobicContact CE2-CB 4.34Å; F160-A173 HydrophobicContact CG-CB 3.95Å; T162-A173 HydrophobicContact CG2-CB 4.4Å; N169-A173 WeakPolarHBondContact O-CB 3.43Å; N169-A173 PolarHBondContact O-N 2.82Å; S171-A173 PolarHBondContact O-N 2.81Å; A173-L177 PolarHBondContact O-N 3.11Å; A173-L177 VanDerWaalsContact O-N 3.12Å |
| 174 | I | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.4 | -36.8 | -179.2 | -63.8 | 172.3 | 0 | 0 | 0 | 111.4 | F12 Y29 L70 L96 I170 S171 L177 L178 | F12-I174 HydrophobicContact CD2-CG2 4.2Å; F12-I174 HydrophobicContact CE2-CG2 3.93Å; Y29-I174 HydrophobicContact CD1-CD1 3.65Å; Y29-I174 HydrophobicContact CD1-CG2 4.38Å; Y29-I174 HydrophobicContact CD2-CD1 3.65Å; Y29-I174 HydrophobicContact CE1-CD1 4.12Å; Y29-I174 HydrophobicContact CE1-CG2 3.76Å; Y29-I174 HydrophobicContact CE2-CB 4.15Å; Y29-I174 HydrophobicContact CE2-CD1 4.13Å; Y29-I174 HydrophobicContact CE2-CG2 4.13Å; Y29-I174 HydrophobicContact CG-CD1 3.37Å; L70-I174 HydrophobicContact CD1-CG2 4.47Å; L96-I174 HydrophobicContact CD1-CD1 4.28Å; L96-I174 HydrophobicContact CD1-CG1 3.87Å; L96-I174 HydrophobicContact CD2-CG1 4.05Å; I170-I174 HydrophobicContact CG2-CD1 4.06Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3Å; S171-I174 PolarHBondContact O-N 2.97Å; I174-L177 PolarHBondContact O-N 3.07Å; I174-L178 WeakPolarHBondContact O-CB 3.37Å; I174-L178 PolarHBondContact O-N 3.43Å |
| 175 | E | 96.9 | Very high | 95.8 | Very high | 104 Ų | 104 | 41.7 Ų | 41.7 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.5 | -36.2 | 174.8 | -73.1 | 166.5 | -161.6 | 0 | 0 | 111.7 | S171 L178 D179 | S171-E175 VanDerWaalsContact O-CB 3.25Å; S171-E175 WeakPolarHBondContact O-CB 3.45Å; S171-E175 VanDerWaalsContact O-CG 3.24Å; S171-E175 WeakPolarHBondContact O-CG 3.18Å; S171-E175 PolarHBondContact O-N 2.84Å; E175-L178 PolarHBondContact O-N 2.97Å; E175-D179 WeakPolarHBondContact O-CB 3.43Å; E175-D179 PolarHBondContact O-N 3.18Å |
| 176 | M | 97.9 | Very high | 95.2 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 33% | 0.33 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 169.7 | 176.9 | 59.3 | 66.1 | 0 | 0 | 111.5 | V129 P158 F160 Q172 L178 D179 L180 | V129-M176 HydrophobicContact CG2-CB 4.45Å; V129-M176 HydrophobicContact CG2-CG 4.04Å; P158-M176 HydrophobicContact CB-CG 3.95Å; P158-M176 HydrophobicContact CG-CG 3.84Å; P158-M176 HydrophobicContact CG-SD 4.18Å; F160-M176 HydrophobicContact CE2-CB 3.84Å; F160-M176 HydrophobicContact CE2-CG 3.91Å; F160-M176 HydrophobicContact CZ-CB 3.89Å; F160-M176 HydrophobicContact CZ-CE 4.35Å; F160-M176 HydrophobicContact CZ-CG 4.13Å; Q172-M176 VanDerWaalsContact O-CB 3.23Å; Q172-M176 WeakPolarHBondContact O-CB 3.45Å; Q172-M176 PolarHBondContact O-N 2.94Å; M176-L178 VanDerWaalsContact C-N 3.28Å; M176-L178 PolarHBondContact O-N 3.07Å; M176-D179 PolarHBondContact O-N 3.41Å; M176-L180 WeakPolarHBondContact O-CG 3.49Å; M176-L180 PolarHBondContact O-N 3.12Å; M176-L180 HydrophobicContact SD-CG 4.39Å |
| 177 | L | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 177.2 | -177.1 | 59.6 | 0 | 0 | 0 | 111.7 | F12 L96 D127 V129 A173 I174 I181 | F12-L177 HydrophobicContact CB-CD2 4.25Å; F12-L177 HydrophobicContact CD1-CD2 3.89Å; F12-L177 HydrophobicContact CD1-CG 4.17Å; F12-L177 HydrophobicContact CD2-CD2 3.89Å; F12-L177 HydrophobicContact CD2-CG 4.46Å; F12-L177 HydrophobicContact CE1-CD2 4.22Å; F12-L177 HydrophobicContact CE1-CG 4.02Å; F12-L177 HydrophobicContact CE2-CB 4.45Å; F12-L177 HydrophobicContact CE2-CD2 4.2Å; F12-L177 HydrophobicContact CE2-CG 4.28Å; F12-L177 HydrophobicContact CG-CD2 3.75Å; F12-L177 HydrophobicContact CG-CG 4.43Å; F12-L177 HydrophobicContact CZ-CB 4.45Å; F12-L177 HydrophobicContact CZ-CD2 4.37Å; F12-L177 HydrophobicContact CZ-CG 4.08Å; L96-L177 HydrophobicContact CD2-CD2 4.01Å; L96-L177 HydrophobicContact CG-CD2 3.8Å; D127-L177 HydrophobicContact CB-CD1 4.05Å; V129-L177 HydrophobicContact CB-CB 4.46Å; V129-L177 HydrophobicContact CG2-CB 3.77Å; V129-L177 HydrophobicContact CG2-CD1 4.17Å; A173-L177 PolarHBondContact O-N 3.11Å; A173-L177 VanDerWaalsContact O-N 3.12Å; I174-L177 PolarHBondContact O-N 3.07Å; L177-I181 HydrophobicContact CD1-CD1 3.94Å; L177-I181 HydrophobicContact CG-CD1 4.09Å; L177-I181 WeakPolarHBondContact O-CD1 3.37Å; L177-I181 WeakPolarHBondContact O-CG1 3.38Å; L177-I181 PolarHBondContact O-N 3.14Å |
| 178 | L | 96.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -49.6 | 174 | -178.2 | 58.2 | 0 | 0 | 0 | 111.9 | I10 F12 V51 Y53 I68 L70 I174 E175 M176 L180 I181 M182 | I10-L178 HydrophobicContact CG1-CD1 4.31Å; I10-L178 HydrophobicContact CG2-CD1 4.3Å; F12-L178 HydrophobicContact CE2-CB 4.38Å; F12-L178 HydrophobicContact CZ-CB 3.91Å; F12-L178 HydrophobicContact CZ-CD1 4.14Å; V51-L178 HydrophobicContact CG2-CD2 4.01Å; Y53-L178 HydrophobicContact CD2-CD2 4.36Å; Y53-L178 HydrophobicContact CD2-CG 4.3Å; I68-L178 HydrophobicContact CG1-CD1 4.48Å; I68-L178 HydrophobicContact CG1-CD2 4.39Å; I68-L178 HydrophobicContact CG2-CD1 4.14Å; L70-L178 HydrophobicContact CD2-CD1 4.23Å; I174-L178 WeakPolarHBondContact O-CB 3.37Å; I174-L178 PolarHBondContact O-N 3.43Å; E175-L178 PolarHBondContact O-N 2.97Å; M176-L178 VanDerWaalsContact C-N 3.28Å; M176-L178 PolarHBondContact O-N 3.07Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.4Å; L178-I181 PolarHBondContact O-N 3.23Å; L178-I181 VanDerWaalsContact O-N 3.12Å; L178-M182 HydrophobicContact CD1-CG 3.81Å; L178-M182 HydrophobicContact CD1-SD 3.96Å; L178-M182 HydrophobicContact CG-CG 4.14Å; L178-M182 VanDerWaalsContact O-CG 3.29Å; L178-M182 WeakPolarHBondContact O-CG 3.35Å; L178-M182 PolarHBondContact O-N 3.24Å |
| 179 | D | 95.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.3 | -44.5 | 178 | 173.2 | 79.6 | 0 | 0 | 0 | 112.5 | Y53 E175 M176 I181 M182 K183 | Y53-D179 HydrophobicContact CE2-CB 4.37Å; Y53-D179 PolarHBondContact OH-OD1 3.43Å; E175-D179 WeakPolarHBondContact O-CB 3.43Å; E175-D179 PolarHBondContact O-N 3.18Å; M176-D179 PolarHBondContact O-N 3.41Å; D179-I181 VanDerWaalsContact C-N 3.31Å; D179-I181 PolarHBondContact O-N 3.01Å; D179-M182 PolarHBondContact O-N 3.09Å; D179-K183 VanDerWaalsContact O-CB 3.31Å; D179-K183 WeakPolarHBondContact O-CB 3.46Å; D179-K183 VanDerWaalsContact O-CG 3.29Å; D179-K183 WeakPolarHBondContact O-CG 3.37Å; D179-K183 PolarHBondContact O-N 3.2Å; D179-K183 WeakPolarHBondContact OD1-CE 3.45Å; D179-K183 IonicContact OD1-NZ 3.87Å; D179-K183 PolarHBondContact OD1-NZ 2.84Å; D179-K183 WeakPolarHBondContact OD2-CE 3.39Å; D179-K183 IonicContact OD2-NZ 3.88Å; D179-K183 PolarHBondContact OD2-NZ 3.14Å |
| 180 | L | 95 | Very high | 90.5 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56 | -45.2 | 174.6 | -71.2 | 176.6 | 0 | 0 | 0 | 112.3 | D127 V129 P158 M176 L178 R184 | D127-L180 HydrophobicContact CB-CB 4.3Å; V129-L180 HydrophobicContact CG2-CD1 4.34Å; P158-L180 HydrophobicContact CG-CD1 4.09Å; M176-L180 WeakPolarHBondContact O-CG 3.49Å; M176-L180 PolarHBondContact O-N 3.12Å; M176-L180 HydrophobicContact SD-CG 4.39Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.4Å; L180-R184 WeakPolarHBondContact O-CB 3.23Å; L180-R184 PolarHBondContact O-N 3.48Å |
| 181 | I | 94.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.3 | -40.6 | -176 | -73.9 | 162 | 0 | 0 | 0 | 111.6 | I10 F12 M93 G94 D127 L177 L178 D179 K183 R184 M185 | I10-I181 HydrophobicContact CD1-CG2 4.28Å; I10-I181 HydrophobicContact CG2-CG2 4.44Å; F12-I181 HydrophobicContact CD1-CD1 4.03Å; F12-I181 HydrophobicContact CE1-CD1 3.46Å; F12-I181 VanDerWaalsContact CE1-CD1 3.46Å; F12-I181 HydrophobicContact CZ-CD1 4.39Å; M93-I181 HydrophobicContact CB-CD1 4.25Å; M93-I181 HydrophobicContact CB-CG2 4.34Å; M93-I181 WeakPolarHBondContact O-CD1 3.46Å; G94-I181 VanDerWaalsContact CA-CD1 3.44Å; D127-I181 HydrophobicContact CB-CD1 4.12Å; D127-I181 HydrophobicContact CB-CG1 3.78Å; D127-I181 VanDerWaalsContact OD2-CG1 3.24Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.5Å; L177-I181 HydrophobicContact CD1-CD1 3.94Å; L177-I181 HydrophobicContact CG-CD1 4.09Å; L177-I181 WeakPolarHBondContact O-CD1 3.37Å; L177-I181 WeakPolarHBondContact O-CG1 3.38Å; L177-I181 PolarHBondContact O-N 3.14Å; L178-I181 PolarHBondContact O-N 3.23Å; L178-I181 VanDerWaalsContact O-N 3.12Å; D179-I181 VanDerWaalsContact C-N 3.31Å; D179-I181 PolarHBondContact O-N 3.01Å; I181-K183 PolarHBondContact O-N 3.11Å; I181-R184 WeakPolarHBondContact O-CB 3.15Å; I181-R184 PolarHBondContact O-N 3.14Å; I181-R184 VanDerWaalsContact O-N 3.11Å; I181-M185 HydrophobicContact CG2-CE 4.05Å; I181-M185 WeakPolarHBondContact O-CG 3.48Å; I181-M185 PolarHBondContact O-N 2.87Å |
| 182 | M | 92.6 | Very high | 85.8 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.3 | -62.1 | -49.6 | -67.6 | 0 | 0 | 110.5 | Y8 I10 Y53 I68 L178 D179 R184 M185 E186 | Y8-M182 HydrophobicContact CD1-CE 4.5Å; Y8-M182 HydrophobicContact CD2-CE 3.99Å; Y8-M182 HydrophobicContact CE2-CE 4.16Å; Y8-M182 HydrophobicContact CG-CE 4.18Å; I10-M182 HydrophobicContact CD1-SD 4.15Å; I10-M182 HydrophobicContact CG1-SD 4.38Å; Y53-M182 HydrophobicContact CD1-CB 4.09Å; Y53-M182 HydrophobicContact CD1-CE 4.12Å; Y53-M182 HydrophobicContact CD1-CG 3.76Å; Y53-M182 HydrophobicContact CD2-CG 4.23Å; Y53-M182 HydrophobicContact CE1-CB 3.52Å; Y53-M182 HydrophobicContact CE1-CE 4.48Å; Y53-M182 HydrophobicContact CE1-CG 3.74Å; Y53-M182 HydrophobicContact CE2-CB 4.28Å; Y53-M182 HydrophobicContact CE2-CG 4.22Å; Y53-M182 HydrophobicContact CG-CG 4.01Å; I68-M182 HydrophobicContact CD1-CE 3.85Å; I68-M182 HydrophobicContact CD1-SD 4.08Å; L178-M182 HydrophobicContact CD1-CG 3.81Å; L178-M182 HydrophobicContact CD1-SD 3.96Å; L178-M182 HydrophobicContact CG-CG 4.14Å; L178-M182 VanDerWaalsContact O-CG 3.29Å; L178-M182 WeakPolarHBondContact O-CG 3.35Å; L178-M182 PolarHBondContact O-N 3.24Å; D179-M182 PolarHBondContact O-N 3.09Å; M182-R184 VanDerWaalsContact C-N 3.3Å; M182-R184 PolarHBondContact O-N 3.35Å; M182-M185 PolarHBondContact O-N 3.25Å; M182-M185 VanDerWaalsContact O-N 3.15Å; M182-E186 WeakPolarHBondContact O-CG 3.3Å; M182-E186 PolarHBondContact O-N 3.22Å |
| 183 | K | 90.8 | Very high | 83.1 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -30.4 | 172.3 | -73.8 | 169.8 | 176.3 | 162.7 | 0 | 113.3 | D179 I181 R187 | D179-K183 VanDerWaalsContact O-CB 3.31Å; D179-K183 WeakPolarHBondContact O-CB 3.46Å; D179-K183 VanDerWaalsContact O-CG 3.29Å; D179-K183 WeakPolarHBondContact O-CG 3.37Å; D179-K183 PolarHBondContact O-N 3.2Å; D179-K183 WeakPolarHBondContact OD1-CE 3.45Å; D179-K183 IonicContact OD1-NZ 3.87Å; D179-K183 PolarHBondContact OD1-NZ 2.84Å; D179-K183 WeakPolarHBondContact OD2-CE 3.39Å; D179-K183 IonicContact OD2-NZ 3.88Å; D179-K183 PolarHBondContact OD2-NZ 3.14Å; I181-K183 PolarHBondContact O-N 3.11Å; K183-R187 VanDerWaalsContact O-CG 3.31Å; K183-R187 WeakPolarHBondContact O-CG 3.38Å; K183-R187 PolarHBondContact O-N 3.05Å; K183-R187 PolarHBondContact O-NE 3.39Å |
| 184 | R | 89.8 | Confident | 80.3 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.8 | -44.7 | 171.7 | -173.8 | -178 | -68.6 | -135.8 | -6.1 | 110.6 | Y122 C123 N125 D127 L180 I181 M182 R187 C188 | Y122-R184 WeakPolarHBondContact OH-CD 3.35Å; Y122-R184 PolarHBondContact OH-NH1 3.19Å; Y122-R184 VanDerWaalsContact OH-NH1 3.14Å; C123-R184 PolarHBondContact SG-NH1 3.04Å; C123-R184 VanDerWaalsContact SG-NH1 3.35Å; N125-R184 VanDerWaalsContact O-CZ 3.3Å; N125-R184 PolarHBondContact O-NH1 3.28Å; N125-R184 PolarHBondContact O-NH2 3.36Å; D127-R184 VanDerWaalsContact CG-NE 3.34Å; D127-R184 IonicContact OD1-CZ 2.71Å; D127-R184 IonicContact OD1-NE 3.97Å; D127-R184 PolarHBondContact OD1-NE 3.4Å; D127-R184 IonicContact OD1-NH2 3.57Å; D127-R184 PolarHBondContact OD1-NH2 2.93Å; D127-R184 WeakPolarHBondContact OD2-CD 3.28Å; D127-R184 IonicContact OD2-CZ 3.6Å; D127-R184 VanDerWaalsContact OD2-CZ 3.24Å; D127-R184 IonicContact OD2-NE 3.87Å; D127-R184 PolarHBondContact OD2-NE 3.38Å; D127-R184 IonicContact OD2-NH2 2.82Å; D127-R184 PolarHBondContact OD2-NH2 2.83Å; L180-R184 WeakPolarHBondContact O-CB 3.23Å; L180-R184 PolarHBondContact O-N 3.48Å; I181-R184 WeakPolarHBondContact O-CB 3.15Å; I181-R184 PolarHBondContact O-N 3.14Å; I181-R184 VanDerWaalsContact O-N 3.11Å; M182-R184 VanDerWaalsContact C-N 3.3Å; M182-R184 PolarHBondContact O-N 3.35Å; R184-R187 PolarHBondContact O-N 3.33Å; R184-C188 PolarHBondContact O-N 3.16Å; R184-C188 VanDerWaalsContact O-N 3.12Å; R184-C188 PolarHBondContact O-SG 3.16Å; R184-C188 VanDerWaalsContact O-SG 3.4Å |
| 185 | M | 87.3 | Confident | 77.6 | Confident | 54 Ų | 54 | 78.9 Ų | 78.9 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 177.3 | -70.6 | -172.2 | 176.9 | 0 | 0 | 112.1 | Y8 I10 M93 I181 M182 R187 C188 V189 | Y8-M185 HydrophobicContact CD1-SD 4.45Å; I10-M185 HydrophobicContact CD1-CE 3.4Å; I10-M185 HydrophobicContact CD1-SD 3.88Å; M93-M185 HydrophobicContact CE-CE 4.05Å; M93-M185 HydrophobicContact SD-CE 3.57Å; M93-M185 VanDerWaalsContact SD-CE 3.57Å; I181-M185 HydrophobicContact CG2-CE 4.05Å; I181-M185 WeakPolarHBondContact O-CG 3.48Å; I181-M185 PolarHBondContact O-N 2.87Å; M182-M185 PolarHBondContact O-N 3.25Å; M182-M185 VanDerWaalsContact O-N 3.15Å; M185-R187 PolarHBondContact O-N 3.5Å; M185-C188 WeakPolarHBondContact O-CB 3.49Å; M185-C188 PolarHBondContact O-N 3.29Å; M185-C188 VanDerWaalsContact O-N 3.07Å; M185-V189 WeakPolarHBondContact O-CG2 3.49Å; M185-V189 PolarHBondContact O-N 3.34Å |
| 186 | E | 84.8 | Confident | 74.9 | Confident | 73 Ų | 73 | 83.8 Ų | 83.8 | 34% | 0.341 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -53.6 | -52 | 175.7 | -72.5 | 167.4 | 178.4 | 0 | 0 | 111.3 | M182 C188 V189 D190 | M182-E186 WeakPolarHBondContact O-CG 3.3Å; M182-E186 PolarHBondContact O-N 3.22Å; E186-C188 PolarHBondContact O-N 3.14Å; E186-V189 PolarHBondContact O-N 2.96Å; E186-V189 VanDerWaalsContact O-N 3.09Å; E186-D190 PolarHBondContact O-N 3.43Å |
| 187 | R | 83.9 | Confident | 72.5 | Confident | 146 Ų | 146 | 84.2 Ų | 84.2 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.5 | -26.1 | 177.2 | -72.2 | 177.5 | -68.3 | 167.3 | -1.2 | 114.4 | K183 R184 M185 K191 | K183-R187 VanDerWaalsContact O-CG 3.31Å; K183-R187 WeakPolarHBondContact O-CG 3.38Å; K183-R187 PolarHBondContact O-N 3.05Å; K183-R187 PolarHBondContact O-NE 3.39Å; R184-R187 PolarHBondContact O-N 3.33Å; M185-R187 PolarHBondContact O-N 3.5Å; R187-K191 WeakPolarHBondContact O-CG 3.35Å |
| 188 | C | 77.2 | Confident | 69.8 | Low | 83 Ų | 83 | 89.7 Ų | 89.7 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -80.5 | -35.1 | 175.3 | -75.5 | 0 | 0 | 0 | 0 | 112.1 | R184 M185 E186 | R184-C188 PolarHBondContact O-N 3.16Å; R184-C188 VanDerWaalsContact O-N 3.12Å; R184-C188 PolarHBondContact O-SG 3.16Å; R184-C188 VanDerWaalsContact O-SG 3.4Å; M185-C188 WeakPolarHBondContact O-CB 3.49Å; M185-C188 PolarHBondContact O-N 3.29Å; M185-C188 VanDerWaalsContact O-N 3.07Å; E186-C188 PolarHBondContact O-N 3.14Å |
| 189 | V | 68.9 | Low | 66.9 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -48 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | M185 E186 K191 S192 | M185-V189 WeakPolarHBondContact O-CG2 3.49Å; M185-V189 PolarHBondContact O-N 3.34Å; E186-V189 PolarHBondContact O-N 2.96Å; E186-V189 VanDerWaalsContact O-N 3.09Å; V189-K191 VanDerWaalsContact C-N 3.26Å; V189-K191 PolarHBondContact O-N 2.66Å; V189-S192 WeakPolarHBondContact O-CB 3.33Å; V189-S192 PolarHBondContact O-N 2.99Å; V189-S192 PolarHBondContact O-OG 3.14Å |
| 190 | D | 60.3 | Low | 63.8 | Low | 113 Ų | 113 | 104.6 Ų | 104.6 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59 | -36.3 | -179.4 | -71.2 | -22.2 | 0 | 0 | 0 | 112.9 | E186 S192 W193 | E186-D190 PolarHBondContact O-N 3.43Å; D190-S192 VanDerWaalsContact C-N 3.3Å; D190-S192 PolarHBondContact O-N 3.16Å; D190-W193 PolarHBondContact O-N 3.37Å |
| 191 | K | 49.3 | Very low | 60.8 | Low | 159 Ų | 159 | 107.7 Ų | 107.7 | 69% | 0.691 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.4 | -27.3 | 176.6 | -76.1 | 179.7 | 178.7 | -175.7 | 0 | 113.7 | R187 V189 W193 | R187-K191 WeakPolarHBondContact O-CG 3.35Å; V189-K191 VanDerWaalsContact C-N 3.26Å; V189-K191 PolarHBondContact O-N 2.66Å; K191-W193 PolarHBondContact O-N 3.14Å |
| 192 | S | 48.5 | Very low | 57.7 | Low | 89 Ų | 89 | 115 Ų | 115 | 62% | 0.622 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -8.8 | 176.7 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | V189 D190 | V189-S192 WeakPolarHBondContact O-CB 3.33Å; V189-S192 PolarHBondContact O-N 2.99Å; V189-S192 PolarHBondContact O-OG 3.14Å; D190-S192 VanDerWaalsContact C-N 3.3Å; D190-S192 PolarHBondContact O-N 3.16Å |
| 193 | W | 41.3 | Very low | 54.7 | Low | 217 Ų | 217 | 118.4 Ų | 118.4 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 5.2 | 178 | -84.2 | 59.6 | 0 | 0 | 0 | 114.1 | D190 K191 P195 | D190-W193 PolarHBondContact O-N 3.37Å; K191-W193 PolarHBondContact O-N 3.14Å; W193-P195 WeakPolarHBondContact O-CD 3.42Å |
| 194 | I | 40.8 | Very low | 51.7 | Low | 128 Ų | 128 | 123.2 Ų | 123.2 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | trans | -100 | 106.6 | 171.7 | -53.7 | 174.5 | 0 | 0 | 0 | 108.2 | E196 | I194-E196 PolarHBondContact O-N 3.47Š| ||
| 195 | P | 39.5 | Very low | 48.7 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 61% | 0.61 | 68% | 0.684 | S | S | * | * | trans | -65.3 | 134.2 | 168.1 | -14 | 28.9 | 0 | 0 | 0 | 109.2 | W193 G197 | W193-P195 WeakPolarHBondContact O-CD 3.42Å; P195-G197 PolarHBondContact O-N 3.21Å | ||
| 196 | E | 41.6 | Very low | 45.8 | Very low | 207 Ų | 207 | 127.8 Ų | 127.8 | 97% | 0.967 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 110 | 164.5 | -69.2 | -173.3 | 139.7 | 0 | 0 | 108.8 | I194 | I194-E196 PolarHBondContact O-N 3.47Š|
| 197 | G | 46.1 | Very low | 43.4 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.6 | 3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | P195 | P195-G197 PolarHBondContact O-N 3.21Š|
| 198 | V | 42.4 | Very low | 41 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 70% | 0.697 | 74% | 0.742 | S | S | * | * | trans | -125 | 64.9 | 178.6 | -161.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 199 | V | 34.7 | Very low | 38.9 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -102 | 90 | 152 | -178.7 | 0 | 0 | 0 | 0 | 108 | S201 | V199-S201 PolarHBondContact O-N 3.47Š| ||
| 200 | R | 30.7 | Very low | 37.1 | Very low | 227 Ų | 227 | 140.7 Ų | 140.7 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -87.8 | 94.7 | 163.4 | -83.1 | -173.7 | 168.5 | -175 | -3.5 | 108.8 | N202 | R200-N202 PolarHBondContact O-N 2.99Š| ||
| 201 | S | 31.4 | Very low | 35.7 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -67.2 | 109.9 | 166.5 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | V199 | V199-S201 PolarHBondContact O-N 3.47Š| ||
| 202 | N | 29.6 | Very low | 34.9 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -111.9 | 115.4 | 172.9 | -114.3 | 21.5 | 0 | 0 | 0 | 109.9 | R200 | R200-N202 PolarHBondContact O-N 2.99Š| ||
| 203 | G | 29.1 | Very low | 34.2 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -157.3 | 107.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 204 | H | 28.6 | Very low | 33.9 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -62.2 | 158.3 | 165.3 | -82.2 | -114.8 | 0 | 0 | 0 | 109.7 | ||||
| 205 | A | 27.3 | Very low | 33.6 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | -137.7 | -179.7 | 12.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 206 | S | 26.8 | Very low | 33.7 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | cis | -155.1 | 154.8 | 31.1 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 207 | V | 34.4 | Very low | 33.5 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -87.3 | 122.1 | 165.9 | 179.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 208 | D | 31.9 | Very low | 33.4 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | 162.8 | 107.4 | 139.7 | -89 | -23.5 | 0 | 0 | 0 | 111.1 | ||||
| 209 | Q | 32.8 | Very low | 33.2 | Very low | 202 Ų | 202 | 145.6 Ų | 145.6 | 94% | 0.944 | 82% | 0.821 | S | S | * | * | trans | -169.7 | 123.6 | 131.2 | -105.5 | 169.3 | 21.8 | 0 | 0 | 110.7 | ||||
| 210 | L | 32.3 | Very low | 33.6 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -103.6 | 130.7 | 177.3 | -82.6 | 154.7 | 0 | 0 | 0 | 110.3 | ||||
| 211 | S | 31.3 | Very low | 34.3 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 84% | 0.843 | S | S | * | * | trans | 179.1 | 118.5 | 152 | 51.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 212 | E | 32.8 | Very low | 34.5 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | 54.4 | 123.9 | 86.9 | -65.6 | -174 | 160.6 | 0 | 0 | 112.2 | |||||
| 213 | E | 32.3 | Very low | 34.7 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 70% | 0.701 | 85% | 0.846 | S | S | * | * | cis | -138.3 | -163.5 | 3.7 | -53.7 | -172.1 | 88.9 | 0 | 0 | 109.1 | ||||
| 214 | K | 34.5 | Very low | 35 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 70% | 0.696 | 85% | 0.851 | S | S | * | * | cis | -158.4 | 179 | 1.1 | -145.3 | 156.9 | -165.3 | 139.7 | 0 | 110.2 | ||||
| 215 | E | 36 | Very low | 35.4 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 85% | 0.848 | S | S | * | * | trans | -72.1 | 154.4 | 173.3 | -53.4 | 165.9 | 108.8 | 0 | 0 | 114.1 | ||||
| 216 | K | 40.1 | Very low | 35.9 | Very low | 208 Ų | 208 | 146.7 Ų | 146.7 | 90% | 0.904 | 85% | 0.854 | S | S | * | * | -173.9 | 121.4 | 113.2 | -102.5 | 171.2 | -174 | -179.2 | 0 | 112.9 | |||||
| 217 | G | 37.4 | Very low | 36.5 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 86% | 0.857 | S | S | * | * | trans | -85.5 | 152 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 218 | A | 45.7 | Very low | 36.7 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 90% | 0.901 | 86% | 0.861 | S | S | * | * | trans | -147.2 | 132 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 219 | C | 38.1 | Very low | 37.1 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 94% | 0.939 | 87% | 0.867 | S | S | * | * | trans | -123.1 | 150 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 220 | G | 42 | Very low | 37.4 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 86% | 0.861 | S | S | * | * | trans | 102.4 | 139.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 221 | C | 46.3 | Very low | 37.9 | Very low | 209 Ų | 209 | 143.5 Ų | 143.5 | 100% | 1.412 | 86% | 0.856 | S | S | * | * | cis | -127.2 | 0 | 13.3 | -62.4 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 221 of 221 residues in 164.2 ms
(Link to these results)