| 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 | 69.9 | Low | 92.5 | Very high | 225 Ų | 225 | 77.5 Ų | 77.5 | 100% | 1.108 | 40% | 0.402 | S | S | * | . | 0 | 134.6 | 0 | -74.7 | -176.6 | -97.3 | 0 | 0 | 107.8 | |||||
| 2 | S | 86.7 | Confident | 92.9 | Very high | 46 Ų | 46 | 75.3 Ų | 75.3 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -67 | 148.8 | 178.7 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | R14 | S2-R14 PolarHBondContact O-NH1 2.9Å; S2-R14 WeakPolarHBondContact OG-CB 3.18Å |
| 3 | E | 94.1 | Very high | 93.3 | Very high | 143 Ų | 143 | 69.5 Ų | 69.5 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -56 | 143.6 | 178.2 | -168.4 | -178.7 | 167.6 | 0 | 0 | 112.3 | R14 Q15 | E3-R14 CarbonylContact O-C 3.47Å; E3-R14 WeakPolarHBondContact O-CA 3.27Å; E3-R14 VanDerWaalsContact O-CB 3.27Å; E3-R14 WeakPolarHBondContact O-CB 3.46Å; E3-Q15 PolarHBondContact O-N 3.16Å |
| 4 | I | 95.9 | Very high | 93.6 | Very high | 81 Ų | 81 | 69.9 Ų | 69.9 | 42% | 0.415 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 125.4 | 171.3 | -64.3 | 173 | 0 | 0 | 0 | 107.8 | V12 R14 | I4-V12 HydrophobicContact CD1-CG1 4.11Å; I4-V12 HydrophobicContact CG1-CG1 4Å; I4-V12 HydrophobicContact CG2-CG1 3.85Å; I4-R14 HydrophobicContact CG1-CG 4.25Å |
| 5 | V | 96.4 | Very high | 93.9 | Very high | 21 Ų | 21 | 71.7 Ų | 71.7 | 13% | 0.127 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -43.1 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L13 Q15 I18 I213 K217 | V5-L13 PolarHBondContact N-O 3.12Å; V5-Q15 HydrophobicContact CG2-CB 4.26Å; V5-I18 HydrophobicContact CB-CG1 3.98Å; V5-I18 HydrophobicContact CG1-CD1 4.33Å; V5-I18 HydrophobicContact CG1-CG1 3.98Å; V5-I18 HydrophobicContact CG2-CG1 3.87Å; V5-I213 HydrophobicContact CG1-CG2 4.43Å; V5-K217 HydrophobicContact CG1-CD 4.34Å; V5-K217 WeakPolarHBondContact O-CD 3.49Å; V5-K217 WeakPolarHBondContact O-CE 3.44Å |
| 6 | L | 97 | Very high | 94.1 | Very high | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 137.7 | -177 | -178.9 | 65.4 | 0 | 0 | 0 | 109.8 | F8 L13 F34 I213 L216 K217 M220 | L6-F8 HydrophobicContact CD2-CB 4.1Å; L6-F8 HydrophobicContact CG-CB 4.11Å; L6-L13 HydrophobicContact CB-CB 4.35Å; L6-L13 HydrophobicContact CD2-CD1 4.45Å; L6-L13 PolarHBondContact N-O 2.84Å; L6-L13 VanDerWaalsContact N-O 3.11Å; L6-L13 PolarHBondContact O-N 3.21Å; L6-F34 HydrophobicContact CD2-CD2 4.32Å; L6-F34 HydrophobicContact CD2-CE2 3.56Å; L6-F34 HydrophobicContact CD2-CZ 4.1Å; L6-I213 HydrophobicContact CB-CG2 4.48Å; L6-I213 HydrophobicContact CD2-CG2 4.08Å; L6-L216 HydrophobicContact CD1-CB 4.4Å; L6-L216 HydrophobicContact CD2-CB 4.21Å; L6-K217 HydrophobicContact CD1-CB 4.29Å; L6-M220 HydrophobicContact CD1-SD 3.73Å |
| 7 | T | 96.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 71.5 Ų | 71.5 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.7 | 162.1 | -63.3 | 0 | 0 | 0 | 0 | 106 | V11 V12 M220 | T7-V11 WeakPolarHBondContact CA-O 3.48Å; T7-V12 HydrophobicContact CG2-CG2 4.16Å; T7-M220 WeakPolarHBondContact O-CE 3.48Å |
| 8 | F | 96.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 108.8 | -179.2 | -178.2 | -100.3 | 0 | 0 | 0 | 108.2 | L6 D10 V11 F34 E37 E41 E42 L216 M220 | L6-F8 HydrophobicContact CD2-CB 4.1Å; L6-F8 HydrophobicContact CG-CB 4.11Å; F8-D10 PolarHBondContact O-N 3.1Å; F8-V11 PolarHBondContact N-O 2.94Å; F8-V11 PolarHBondContact O-N 2.91Å; F8-F34 HydrophobicContact CB-CD2 4.18Å; F8-F34 HydrophobicContact CB-CE2 4.02Å; F8-F34 HydrophobicContact CD1-CD2 4.2Å; F8-F34 HydrophobicContact CD1-CE2 4.05Å; F8-F34 HydrophobicContact CG-CD2 4.44Å; F8-F34 HydrophobicContact CG-CE2 4.07Å; F8-E37 HydrophobicContact CD1-CB 4.38Å; F8-E37 HydrophobicContact CD1-CG 3.96Å; F8-E37 HydrophobicContact CE1-CB 4.34Å; F8-E37 HydrophobicContact CE1-CG 3.9Å; F8-E41 HydrophobicContact CE1-CB 4.26Å; F8-E41 HydrophobicContact CZ-CB 4.02Å; F8-E42 HydrophobicContact CE2-CG 4.11Å; F8-E42 HydrophobicContact CZ-CG 3.75Å; F8-L216 HydrophobicContact CD2-CD1 4.18Å; F8-L216 HydrophobicContact CD2-CD2 4.36Å; F8-L216 HydrophobicContact CE2-CD1 4.23Å; F8-L216 HydrophobicContact CE2-CD2 3.98Å; F8-M220 HydrophobicContact CD2-SD 4.27Å |
| 9 | H | 94.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -123.6 | -171 | -65.3 | -108.7 | 0 | 0 | 0 | 111 | V11 E37 E41 | H9-V11 VanDerWaalsContact C-N 3.27Å; H9-V11 PolarHBondContact O-N 2.81Å; H9-E37 HydrophobicContact CB-CG 3.91Å; H9-E37 VanDerWaalsContact CB-OE1 3.23Å; H9-E37 WeakPolarHBondContact CB-OE1 3.39Å; H9-E37 IonicContact CG-OE1 3.81Å; H9-E37 IonicContact ND1-OE1 3.7Å; H9-E41 IonicContact CE1-OE2 3.29Å |
| 10 | D | 92.9 | Very high | 94.8 | Very high | 152 Ų | 152 | 66.1 Ų | 66.1 | 81% | 0.813 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -3.5 | -178.3 | -66.3 | -35.7 | 0 | 0 | 0 | 113.5 | F8 | F8-D10 PolarHBondContact O-N 3.1Š|
| 11 | V | 97.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.4 | -175.2 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | T7 F8 H9 L13 N30 A33 F34 E37 | T7-V11 WeakPolarHBondContact CA-O 3.48Å; F8-V11 PolarHBondContact N-O 2.94Å; F8-V11 PolarHBondContact O-N 2.91Å; H9-V11 VanDerWaalsContact C-N 3.27Å; H9-V11 PolarHBondContact O-N 2.81Å; V11-L13 HydrophobicContact CG1-CD2 4.3Å; V11-N30 WeakPolarHBondContact CG1-OD1 3.49Å; V11-A33 HydrophobicContact CG2-CB 4.24Å; V11-F34 HydrophobicContact CB-CB 4.48Å; V11-F34 HydrophobicContact CG1-CB 3.79Å; V11-E37 HydrophobicContact CG2-CB 4.13Å; V11-E37 HydrophobicContact CG2-CG 4.35Å |
| 12 | V | 97.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 108.3 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | I4 T7 N30 | I4-V12 HydrophobicContact CD1-CG1 4.11Å; I4-V12 HydrophobicContact CG1-CG1 4Å; I4-V12 HydrophobicContact CG2-CG1 3.85Å; T7-V12 HydrophobicContact CG2-CG2 4.16Å; V12-N30 PolarHBondContact O-ND2 3.12Å |
| 13 | L | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.6 | 172.4 | -61.6 | -177.7 | 0 | 0 | 0 | 110.5 | V5 L6 V11 D17 I18 F34 I213 | V5-L13 PolarHBondContact N-O 3.12Å; L6-L13 HydrophobicContact CB-CB 4.35Å; L6-L13 HydrophobicContact CD2-CD1 4.45Å; L6-L13 PolarHBondContact N-O 2.84Å; L6-L13 VanDerWaalsContact N-O 3.11Å; L6-L13 PolarHBondContact O-N 3.21Å; V11-L13 HydrophobicContact CG1-CD2 4.3Å; L13-D17 HydrophobicContact CD2-CB 4.17Å; L13-I18 HydrophobicContact CB-CD1 4.15Å; L13-I18 HydrophobicContact CD1-CD1 4.01Å; L13-F34 HydrophobicContact CD1-CB 4.1Å; L13-F34 HydrophobicContact CD1-CD1 3.97Å; L13-F34 HydrophobicContact CD1-CD2 3.84Å; L13-F34 HydrophobicContact CD1-CE1 4.41Å; L13-F34 HydrophobicContact CD1-CE2 4.29Å; L13-F34 HydrophobicContact CD1-CG 3.67Å; L13-F34 HydrophobicContact CD2-CB 3.99Å; L13-F34 HydrophobicContact CD2-CG 4.48Å; L13-F34 HydrophobicContact CG-CB 4.24Å; L13-F34 HydrophobicContact CG-CD2 4.36Å; L13-F34 HydrophobicContact CG-CG 4.27Å; L13-I213 HydrophobicContact CD1-CD1 3.76Å; L13-I213 HydrophobicContact CD1-CG1 4Å; L13-I213 HydrophobicContact CD1-CG2 4.37Å |
| 14 | R | 97.8 | Very high | 96.6 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 171 | 175.6 | -63.3 | 173.3 | 178 | -79.4 | -4 | 110.6 | S2 E3 I4 W16 D17 I18 | S2-R14 PolarHBondContact O-NH1 2.9Å; S2-R14 WeakPolarHBondContact OG-CB 3.18Å; E3-R14 CarbonylContact O-C 3.47Å; E3-R14 WeakPolarHBondContact O-CA 3.27Å; E3-R14 VanDerWaalsContact O-CB 3.27Å; E3-R14 WeakPolarHBondContact O-CB 3.46Å; I4-R14 HydrophobicContact CG1-CG 4.25Å; R14-W16 PolarHBondContact O-N 3.34Å; R14-W16 VanDerWaalsContact O-N 3.12Å; R14-D17 WeakPolarHBondContact CA-OD2 3.48Å; R14-D17 WeakPolarHBondContact CB-OD2 3.33Å; R14-D17 PolarHBondContact N-OD2 2.87Å; R14-D17 WeakPolarHBondContact O-CB 3.25Å; R14-D17 PolarHBondContact O-N 3.39Å; R14-I18 PolarHBondContact O-N 2.8Å; R14-I18 VanDerWaalsContact O-N 3.17Å |
| 15 | Q | 97 | Very high | 96.7 | Very high | 97 Ų | 97 | 60.4 Ų | 60.4 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.2 | -35.3 | -174.9 | -169.3 | 59.8 | 41.2 | 0 | 0 | 114.1 | E3 V5 A19 | E3-Q15 PolarHBondContact O-N 3.16Å; V5-Q15 HydrophobicContact CG2-CB 4.26Å; Q15-A19 PolarHBondContact O-N 2.96Å; Q15-A19 VanDerWaalsContact O-N 3.1Å |
| 16 | W | 96.9 | Very high | 96.8 | Very high | 141 Ų | 141 | 65.7 Ų | 65.7 | 53% | 0.534 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 176.4 | 70.1 | -57 | 0 | 0 | 0 | 112.8 | R14 A19 | R14-W16 PolarHBondContact O-N 3.34Å; R14-W16 VanDerWaalsContact O-N 3.12Å; W16-A19 WeakPolarHBondContact O-CB 3.45Å; W16-A19 PolarHBondContact O-N 3.17Å |
| 17 | D | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 172.4 | -55.2 | -74.4 | 0 | 0 | 0 | 109.8 | L13 R14 A19 L20 N28 N30 I31 | L13-D17 HydrophobicContact CD2-CB 4.17Å; R14-D17 WeakPolarHBondContact CA-OD2 3.48Å; R14-D17 WeakPolarHBondContact CB-OD2 3.33Å; R14-D17 PolarHBondContact N-OD2 2.87Å; R14-D17 WeakPolarHBondContact O-CB 3.25Å; R14-D17 PolarHBondContact O-N 3.39Å; D17-A19 PolarHBondContact O-N 3.16Å; D17-A19 VanDerWaalsContact O-N 3.16Å; D17-L20 WeakPolarHBondContact O-CB 3.42Å; D17-L20 PolarHBondContact O-N 3.11Å; D17-N28 PolarHBondContact OD1-ND2 3.3Å; D17-N30 PolarHBondContact OD1-ND2 2.74Å; D17-N30 VanDerWaalsContact OD1-ND2 3.16Å; D17-N30 PolarHBondContact OD2-ND2 3.16Å; D17-I31 HydrophobicContact CB-CG1 4.24Å; D17-I31 VanDerWaalsContact O-CD1 3.25Å; D17-I31 WeakPolarHBondContact O-CD1 3.36Å |
| 18 | I | 97.5 | Very high | 96.9 | Very high | 24 Ų | 24 | 63.5 Ų | 63.5 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -33.8 | 179 | -54.1 | -53.4 | 0 | 0 | 0 | 111.9 | V5 L13 R14 L20 L21 L210 I213 | V5-I18 HydrophobicContact CB-CG1 3.98Å; V5-I18 HydrophobicContact CG1-CD1 4.33Å; V5-I18 HydrophobicContact CG1-CG1 3.98Å; V5-I18 HydrophobicContact CG2-CG1 3.87Å; L13-I18 HydrophobicContact CB-CD1 4.15Å; L13-I18 HydrophobicContact CD1-CD1 4.01Å; R14-I18 PolarHBondContact O-N 2.8Å; R14-I18 VanDerWaalsContact O-N 3.17Å; I18-L20 PolarHBondContact O-N 2.82Å; I18-L21 HydrophobicContact CD1-CD1 4.49Å; I18-L21 WeakPolarHBondContact O-CB 2.99Å; I18-L21 PolarHBondContact O-N 3.4Å; I18-L21 VanDerWaalsContact O-N 3.12Å; I18-L210 HydrophobicContact CG2-CD2 3.72Å; I18-I213 HydrophobicContact CD1-CD1 3.85Å; I18-I213 HydrophobicContact CD1-CG2 3.84Å |
| 19 | A | 97.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 66.8 Ų | 66.8 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -21.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q15 W16 D17 L21 | Q15-A19 PolarHBondContact O-N 2.96Å; Q15-A19 VanDerWaalsContact O-N 3.1Å; W16-A19 WeakPolarHBondContact O-CB 3.45Å; W16-A19 PolarHBondContact O-N 3.17Å; D17-A19 PolarHBondContact O-N 3.16Å; D17-A19 VanDerWaalsContact O-N 3.16Å; A19-L21 VanDerWaalsContact C-N 3.32Å |
| 20 | L | 97.9 | Very high | 97 | Very high | 42 Ų | 42 | 64.1 Ų | 64.1 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -10.2 | 176.5 | -57.7 | 177.1 | 0 | 0 | 0 | 113.5 | D17 I18 K22 K25 L27 N28 I31 R206 | D17-L20 WeakPolarHBondContact O-CB 3.42Å; D17-L20 PolarHBondContact O-N 3.11Å; I18-L20 PolarHBondContact O-N 2.82Å; L20-K22 PolarHBondContact O-N 3.26Å; L20-K25 HydrophobicContact CB-CB 4.49Å; L20-K25 HydrophobicContact CD2-CB 4.48Å; L20-K25 VanDerWaalsContact O-CB 3.25Å; L20-K25 WeakPolarHBondContact O-CB 3.4Å; L20-L27 WeakPolarHBondContact O-CD2 3.25Å; L20-N28 HydrophobicContact CD1-CB 3.93Å; L20-I31 HydrophobicContact CB-CD1 3.7Å; L20-I31 HydrophobicContact CD1-CD1 4.15Å; L20-I31 HydrophobicContact CG-CD1 4.47Å; L20-R206 PolarHBondContact O-NH1 3.39Å; L20-R206 VanDerWaalsContact O-NH1 3.16Å |
| 21 | L | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.6 | 173.4 | -65.1 | 172.3 | 0 | 0 | 0 | 112.4 | I18 A19 L27 I31 R206 M209 L210 I213 | I18-L21 HydrophobicContact CD1-CD1 4.49Å; I18-L21 WeakPolarHBondContact O-CB 2.99Å; I18-L21 PolarHBondContact O-N 3.4Å; I18-L21 VanDerWaalsContact O-N 3.12Å; A19-L21 VanDerWaalsContact C-N 3.32Å; L21-L27 HydrophobicContact CD2-CD2 3.9Å; L21-I31 HydrophobicContact CD2-CD1 4.36Å; L21-I31 HydrophobicContact CD2-CG2 3.89Å; L21-I31 HydrophobicContact CG-CD1 4.45Å; L21-R206 PolarHBondContact O-NH1 3.14Å; L21-R206 VanDerWaalsContact O-NH1 3.15Å; L21-M209 HydrophobicContact CD1-CB 4.5Å; L21-M209 HydrophobicContact CD2-CB 4.05Å; L21-M209 HydrophobicContact CD2-CE 3.59Å; L21-M209 HydrophobicContact CD2-SD 4.05Å; L21-L210 HydrophobicContact CB-CD1 4.37Å; L21-L210 HydrophobicContact CB-CD2 3.89Å; L21-L210 HydrophobicContact CB-CG 3.94Å; L21-L210 HydrophobicContact CD1-CD2 3.63Å; L21-L210 HydrophobicContact CD1-CG 3.98Å; L21-L210 HydrophobicContact CG-CD2 4.41Å; L21-I213 HydrophobicContact CD1-CD1 3.47Å; L21-I213 VanDerWaalsContact CD1-CD1 3.47Å |
| 22 | K | 96.8 | Very high | 97.3 | Very high | 132 Ų | 132 | 56.5 Ų | 56.5 | 57% | 0.574 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -60.6 | 153.9 | 173.4 | -66.7 | -177.4 | 178.9 | -177.9 | 0 | 111.5 | L20 K25 R206 | L20-K22 PolarHBondContact O-N 3.26Å; K22-K25 HydrophobicContact CB-CG 4.32Å; K22-K25 WeakPolarHBondContact O-CB 3.4Å; K22-K25 PolarHBondContact O-N 2.98Å; K22-R206 PolarHBondContact O-NH1 3.09Å; K22-R206 VanDerWaalsContact O-NH1 3.12Å |
| 23 | P | 95.1 | Very high | 97.4 | Very high | 83 Ų | 83 | 54.2 Ų | 54.2 | 54% | 0.539 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 150.1 | 177 | -26.7 | 34.7 | 0 | 0 | 0 | 113.2 | K25 | P23-K25 PolarHBondContact O-N 3.48Š|
| 24 | N | 94.4 | Very high | 97.4 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 65% | 0.647 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 26 | 177.8 | -53.9 | -60 | 0 | 0 | 0 | 114.8 | S166 | N24-S166 WeakPolarHBondContact CA-OG 3.28Š|
| 25 | K | 97.5 | Very high | 97.5 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 46% | 0.457 | 25% | 0.247 | S | C | . | . | trans | -118.6 | 138.1 | 177.3 | -63.3 | -60.9 | -177.9 | -174.7 | 0 | 111 | L20 K22 P23 R206 | L20-K25 HydrophobicContact CB-CB 4.49Å; L20-K25 HydrophobicContact CD2-CB 4.48Å; L20-K25 VanDerWaalsContact O-CB 3.25Å; L20-K25 WeakPolarHBondContact O-CB 3.4Å; K22-K25 HydrophobicContact CB-CG 4.32Å; K22-K25 WeakPolarHBondContact O-CB 3.4Å; K22-K25 PolarHBondContact O-N 2.98Å; P23-K25 PolarHBondContact O-N 3.48Å; K25-R206 PolarHBondContact O-NH2 3.44Å | ||
| 26 | W | 97.5 | Very high | 97.5 | Very high | 131 Ų | 131 | 46.3 Ų | 46.3 | 50% | 0.496 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -73.8 | 132.8 | 176.7 | -67.4 | 16.4 | 0 | 0 | 0 | 108.9 | G100 S165 | W26-G100 WeakPolarHBondContact CH2-O 3.35Å; W26-S165 PolarHBondContact NE1-O 3.3Å |
| 27 | L | 98.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 137.9 | 168.8 | -54.1 | -169.7 | 0 | 0 | 0 | 109.3 | L20 L21 I31 L32 W102 V170 M209 | L20-L27 WeakPolarHBondContact O-CD2 3.25Å; L21-L27 HydrophobicContact CD2-CD2 3.9Å; L27-I31 HydrophobicContact CB-CG2 4.44Å; L27-I31 HydrophobicContact CD1-CG2 4.06Å; L27-I31 HydrophobicContact CD2-CD1 4.12Å; L27-I31 HydrophobicContact CD2-CG2 4.27Å; L27-L32 HydrophobicContact CD1-CD2 4.23Å; L27-W102 PolarHBondContact O-NE1 3.49Å; L27-W102 VanDerWaalsContact O-NE1 3.12Å; L27-V170 HydrophobicContact CD1-CG2 3.96Å; L27-V170 HydrophobicContact CG-CG2 4.24Å; L27-M209 HydrophobicContact CD1-CE 3.7Å |
| 28 | N | 97 | Very high | 97.6 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 173.4 | 170.1 | 66.7 | -2.4 | 0 | 0 | 0 | 110.8 | D17 L20 N30 I31 L32 | D17-N28 PolarHBondContact OD1-ND2 3.3Å; L20-N28 HydrophobicContact CD1-CB 3.93Å; N28-N30 VanDerWaalsContact C-N 3.32Å; N28-N30 PolarHBondContact O-N 2.96Å; N28-N30 PolarHBondContact OD1-N 3.4Å; N28-I31 PolarHBondContact O-N 3.19Å; N28-I31 WeakPolarHBondContact OD1-CD1 3.4Å; N28-I31 WeakPolarHBondContact OD1-CG1 3.4Å; N28-I31 PolarHBondContact OD1-N 3.38Å; N28-L32 PolarHBondContact O-N 3.11Å |
| 29 | D | 96.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -53.8 | -44.2 | 171.8 | 52.6 | -10.4 | 0 | 0 | 0 | 112.7 | I31 L32 A33 P56 W102 | D29-I31 VanDerWaalsContact C-N 3.34Å; D29-I31 PolarHBondContact O-N 2.81Å; D29-L32 CarbonylContact O-C 3.52Å; D29-L32 PolarHBondContact O-N 3.31Å; D29-L32 VanDerWaalsContact O-N 3.12Å; D29-A33 WeakPolarHBondContact O-CB 3.26Å; D29-A33 PolarHBondContact O-N 3.5Å; D29-P56 HydrophobicContact CB-CB 4.27Å; D29-W102 HydrophobicContact CB-CH2 4.17Å; D29-W102 HydrophobicContact CB-CZ2 4.23Å |
| 30 | N | 97.7 | Very high | 97.7 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 22% | 0.219 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -36.4 | -176.5 | -163.7 | 36.8 | 0 | 0 | 0 | 113.2 | V11 V12 D17 N28 F34 | V11-N30 WeakPolarHBondContact CG1-OD1 3.49Å; V12-N30 PolarHBondContact O-ND2 3.12Å; D17-N30 PolarHBondContact OD1-ND2 2.74Å; D17-N30 VanDerWaalsContact OD1-ND2 3.16Å; D17-N30 PolarHBondContact OD2-ND2 3.16Å; N28-N30 VanDerWaalsContact C-N 3.32Å; N28-N30 PolarHBondContact O-N 2.96Å; N28-N30 PolarHBondContact OD1-N 3.4Å; N30-F34 PolarHBondContact O-N 3.12Å |
| 31 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -44.3 | 173.4 | -67.9 | 162.7 | 0 | 0 | 0 | 110.8 | D17 L20 L21 L27 N28 D29 A33 F34 F35 M209 | D17-I31 HydrophobicContact CB-CG1 4.24Å; D17-I31 VanDerWaalsContact O-CD1 3.25Å; D17-I31 WeakPolarHBondContact O-CD1 3.36Å; L20-I31 HydrophobicContact CB-CD1 3.7Å; L20-I31 HydrophobicContact CD1-CD1 4.15Å; L20-I31 HydrophobicContact CG-CD1 4.47Å; L21-I31 HydrophobicContact CD2-CD1 4.36Å; L21-I31 HydrophobicContact CD2-CG2 3.89Å; L21-I31 HydrophobicContact CG-CD1 4.45Å; L27-I31 HydrophobicContact CB-CG2 4.44Å; L27-I31 HydrophobicContact CD1-CG2 4.06Å; L27-I31 HydrophobicContact CD2-CD1 4.12Å; L27-I31 HydrophobicContact CD2-CG2 4.27Å; N28-I31 PolarHBondContact O-N 3.19Å; N28-I31 WeakPolarHBondContact OD1-CD1 3.4Å; N28-I31 WeakPolarHBondContact OD1-CG1 3.4Å; N28-I31 PolarHBondContact OD1-N 3.38Å; D29-I31 VanDerWaalsContact C-N 3.34Å; D29-I31 PolarHBondContact O-N 2.81Å; I31-A33 VanDerWaalsContact C-N 3.33Å; I31-F34 WeakPolarHBondContact O-CB 3.2Å; I31-F34 PolarHBondContact O-N 3.48Å; I31-F35 HydrophobicContact CG2-CD2 4.03Å; I31-F35 HydrophobicContact CG2-CE2 4.14Å; I31-F35 WeakPolarHBondContact O-CD2 3.46Å; I31-F35 PolarHBondContact O-N 3.19Å; I31-F35 VanDerWaalsContact O-N 3.07Å; I31-M209 HydrophobicContact CG2-CE 3.84Å |
| 32 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.6 | -68.7 | -178.8 | 0 | 0 | 0 | 111.2 | L27 N28 D29 F34 F35 M36 P56 P88 W102 G169 V172 V173 | L27-L32 HydrophobicContact CD1-CD2 4.23Å; N28-L32 PolarHBondContact O-N 3.11Å; D29-L32 CarbonylContact O-C 3.52Å; D29-L32 PolarHBondContact O-N 3.31Å; D29-L32 VanDerWaalsContact O-N 3.12Å; L32-F34 PolarHBondContact O-N 3.15Å; L32-F35 PolarHBondContact O-N 3.38Å; L32-M36 WeakPolarHBondContact O-CG 3.37Å; L32-M36 PolarHBondContact O-N 3.43Å; L32-P56 HydrophobicContact CB-CG 3.67Å; L32-P88 HydrophobicContact CD1-CB 4.4Å; L32-W102 HydrophobicContact CD1-CD2 3.35Å; L32-W102 VanDerWaalsContact CD1-CE2 3.49Å; L32-W102 HydrophobicContact CD1-CE3 3.59Å; L32-W102 HydrophobicContact CD1-CG 3.79Å; L32-W102 HydrophobicContact CD1-CH2 4.1Å; L32-W102 HydrophobicContact CD1-CZ2 3.9Å; L32-W102 HydrophobicContact CD1-CZ3 3.93Å; L32-G169 WeakPolarHBondContact CD2-O 3.43Å; L32-V172 HydrophobicContact CD2-CG1 4.33Å; L32-V173 HydrophobicContact CD2-CG2 3.63Å |
| 33 | A | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.6 | -49.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V11 D29 I31 F35 M36 E37 D55 | V11-A33 HydrophobicContact CG2-CB 4.24Å; D29-A33 WeakPolarHBondContact O-CB 3.26Å; D29-A33 PolarHBondContact O-N 3.5Å; I31-A33 VanDerWaalsContact C-N 3.33Å; A33-F35 VanDerWaalsContact C-N 3.32Å; A33-F35 PolarHBondContact O-N 3.18Å; A33-M36 PolarHBondContact O-N 3.44Å; A33-E37 WeakPolarHBondContact O-CB 3.32Å; A33-E37 PolarHBondContact O-N 3.31Å; A33-D55 VanDerWaalsContact CB-OD2 3.24Å; A33-D55 WeakPolarHBondContact CB-OD2 3.37Å |
| 34 | F | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.7 | -44.7 | 176 | 166.3 | -99.3 | 0 | 0 | 0 | 112.4 | L6 F8 V11 L13 N30 I31 L32 E37 Y38 I212 I213 L216 | L6-F34 HydrophobicContact CD2-CD2 4.32Å; L6-F34 HydrophobicContact CD2-CE2 3.56Å; L6-F34 HydrophobicContact CD2-CZ 4.1Å; F8-F34 HydrophobicContact CB-CD2 4.18Å; F8-F34 HydrophobicContact CB-CE2 4.02Å; F8-F34 HydrophobicContact CD1-CD2 4.2Å; F8-F34 HydrophobicContact CD1-CE2 4.05Å; F8-F34 HydrophobicContact CG-CD2 4.44Å; F8-F34 HydrophobicContact CG-CE2 4.07Å; V11-F34 HydrophobicContact CB-CB 4.48Å; V11-F34 HydrophobicContact CG1-CB 3.79Å; L13-F34 HydrophobicContact CD1-CB 4.1Å; L13-F34 HydrophobicContact CD1-CD1 3.97Å; L13-F34 HydrophobicContact CD1-CD2 3.84Å; L13-F34 HydrophobicContact CD1-CE1 4.41Å; L13-F34 HydrophobicContact CD1-CE2 4.29Å; L13-F34 HydrophobicContact CD1-CG 3.67Å; L13-F34 HydrophobicContact CD2-CB 3.99Å; L13-F34 HydrophobicContact CD2-CG 4.48Å; L13-F34 HydrophobicContact CG-CB 4.24Å; L13-F34 HydrophobicContact CG-CD2 4.36Å; L13-F34 HydrophobicContact CG-CG 4.27Å; N30-F34 PolarHBondContact O-N 3.12Å; I31-F34 WeakPolarHBondContact O-CB 3.2Å; I31-F34 PolarHBondContact O-N 3.48Å; L32-F34 PolarHBondContact O-N 3.15Å; F34-E37 PolarHBondContact O-N 3.48Å; F34-Y38 VanDerWaalsContact O-CB 3.29Å; F34-Y38 WeakPolarHBondContact O-CB 3.48Å; F34-Y38 PolarHBondContact O-N 3.12Å; F34-I212 HydrophobicContact CE1-CG2 4.4Å; F34-I212 HydrophobicContact CZ-CG2 4.22Å; F34-I213 HydrophobicContact CD1-CD1 4.36Å; F34-I213 HydrophobicContact CD1-CG1 4.19Å; F34-I213 HydrophobicContact CE1-CD1 4Å; F34-I213 HydrophobicContact CE1-CG1 3.41Å; F34-I213 VanDerWaalsContact CE1-CG1 3.41Å; F34-I213 HydrophobicContact CE2-CG1 4.49Å; F34-I213 HydrophobicContact CZ-CG1 3.59Å; F34-L216 HydrophobicContact CE2-CD1 3.92Å; F34-L216 HydrophobicContact CZ-CD1 3.68Å |
| 35 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.8 | -34.9 | -179.9 | -83.7 | -76.5 | 0 | 0 | 0 | 113 | I31 L32 A33 E37 Y38 F39 V173 M209 I212 | I31-F35 HydrophobicContact CG2-CD2 4.03Å; I31-F35 HydrophobicContact CG2-CE2 4.14Å; I31-F35 WeakPolarHBondContact O-CD2 3.46Å; I31-F35 PolarHBondContact O-N 3.19Å; I31-F35 VanDerWaalsContact O-N 3.07Å; L32-F35 PolarHBondContact O-N 3.38Å; A33-F35 VanDerWaalsContact C-N 3.32Å; A33-F35 PolarHBondContact O-N 3.18Å; F35-E37 VanDerWaalsContact C-N 3.34Å; F35-Y38 HydrophobicContact CD1-CD1 4.37Å; F35-Y38 PolarHBondContact O-N 2.81Å; F35-F39 HydrophobicContact CB-CE2 4.45Å; F35-F39 HydrophobicContact CB-CZ 4.48Å; F35-F39 HydrophobicContact CD1-CE1 4.36Å; F35-F39 HydrophobicContact CD1-CZ 4.35Å; F35-F39 WeakPolarHBondContact O-CB 3.38Å; F35-F39 WeakPolarHBondContact O-CD2 3.42Å; F35-F39 WeakPolarHBondContact O-CG 3.39Å; F35-F39 PolarHBondContact O-N 3.43Å; F35-V173 HydrophobicContact CB-CG1 4.17Å; F35-V173 HydrophobicContact CB-CG2 4.07Å; F35-V173 HydrophobicContact CD1-CG1 4.02Å; F35-V173 HydrophobicContact CD2-CG2 4.41Å; F35-V173 HydrophobicContact CG-CG1 4Å; F35-V173 HydrophobicContact CG-CG2 4.24Å; F35-M209 HydrophobicContact CD2-CE 3.38Å; F35-M209 HydrophobicContact CE1-CB 4.24Å; F35-M209 HydrophobicContact CE1-CG 3.86Å; F35-M209 HydrophobicContact CE2-CB 3.82Å; F35-M209 HydrophobicContact CE2-CE 3.13Å; F35-M209 HydrophobicContact CE2-CG 3.72Å; F35-M209 HydrophobicContact CE2-SD 4.3Å; F35-M209 HydrophobicContact CG-CE 4.27Å; F35-M209 HydrophobicContact CZ-CB 3.37Å; F35-M209 HydrophobicContact CZ-CE 3.83Å; F35-M209 HydrophobicContact CZ-CG 3.35Å; F35-M209 HydrophobicContact CZ-SD 4.49Å; F35-I212 HydrophobicContact CE1-CD1 4.02Å; F35-I212 HydrophobicContact CE1-CG2 4.37Å |
| 36 | M | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 171.1 | -67.3 | -50.6 | 108.5 | 0 | 0 | 111.1 | L32 A33 F39 A40 F53 I86 P88 A176 | L32-M36 WeakPolarHBondContact O-CG 3.37Å; L32-M36 PolarHBondContact O-N 3.43Å; A33-M36 PolarHBondContact O-N 3.44Å; M36-F39 HydrophobicContact CE-CD2 4.06Å; M36-F39 HydrophobicContact CE-CE2 3.95Å; M36-F39 PolarHBondContact O-N 3.12Å; M36-A40 PolarHBondContact O-N 3.39Å; M36-F53 HydrophobicContact CB-CB 3.91Å; M36-F53 HydrophobicContact CG-CB 4.5Å; M36-F53 VanDerWaalsContact O-CB 3.29Å; M36-F53 WeakPolarHBondContact O-CB 3.44Å; M36-F53 HydrophobicContact SD-CB 4.18Å; M36-F53 HydrophobicContact SD-CD1 3.99Å; M36-I86 HydrophobicContact SD-CG2 4.37Å; M36-P88 HydrophobicContact CE-CG 4.12Å; M36-P88 HydrophobicContact CG-CG 3.69Å; M36-P88 HydrophobicContact SD-CG 3.74Å; M36-A176 HydrophobicContact CE-CB 3.87Å; M36-A176 HydrophobicContact SD-CB 4.45Å |
| 37 | E | 98 | Very high | 98 | Very high | 40 Ų | 40 | 28.6 Ų | 28.6 | 19% | 0.187 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 176.8 | -165.7 | 70.1 | -169.7 | 0 | 0 | 111.5 | F8 H9 V11 A33 F34 F35 F39 A40 E41 | F8-E37 HydrophobicContact CD1-CB 4.38Å; F8-E37 HydrophobicContact CD1-CG 3.96Å; F8-E37 HydrophobicContact CE1-CB 4.34Å; F8-E37 HydrophobicContact CE1-CG 3.9Å; H9-E37 HydrophobicContact CB-CG 3.91Å; H9-E37 VanDerWaalsContact CB-OE1 3.23Å; H9-E37 WeakPolarHBondContact CB-OE1 3.39Å; H9-E37 IonicContact CG-OE1 3.81Å; H9-E37 IonicContact ND1-OE1 3.7Å; V11-E37 HydrophobicContact CG2-CB 4.13Å; V11-E37 HydrophobicContact CG2-CG 4.35Å; A33-E37 WeakPolarHBondContact O-CB 3.32Å; A33-E37 PolarHBondContact O-N 3.31Å; F34-E37 PolarHBondContact O-N 3.48Å; F35-E37 VanDerWaalsContact C-N 3.34Å; E37-F39 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 3.01Å; E37-A40 PolarHBondContact O-N 3.46Å; E37-A40 VanDerWaalsContact O-N 3.11Å; E37-E41 HydrophobicContact CG-CG 4.27Å; E37-E41 WeakPolarHBondContact O-CB 3.44Å; E37-E41 WeakPolarHBondContact O-CG 3.36Å; E37-E41 PolarHBondContact O-N 3.32Å |
| 38 | Y | 98.5 | Very high | 97.8 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 17% | 0.165 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -40 | 176.4 | 173.6 | -106.5 | 0 | 0 | 0 | 112.1 | F34 F35 E42 M43 I212 L216 | F34-Y38 VanDerWaalsContact O-CB 3.29Å; F34-Y38 WeakPolarHBondContact O-CB 3.48Å; F34-Y38 PolarHBondContact O-N 3.12Å; F35-Y38 HydrophobicContact CD1-CD1 4.37Å; F35-Y38 PolarHBondContact O-N 2.81Å; Y38-E42 HydrophobicContact CD2-CB 3.78Å; Y38-E42 HydrophobicContact CD2-CG 4.07Å; Y38-E42 HydrophobicContact CE2-CB 3.59Å; Y38-E42 HydrophobicContact CE2-CG 4.08Å; Y38-E42 PolarHBondContact O-N 3.45Å; Y38-M43 HydrophobicContact CE1-CB 4.19Å; Y38-M43 PolarHBondContact O-N 3.27Å; Y38-M43 VanDerWaalsContact O-N 3.07Å; Y38-I212 HydrophobicContact CD1-CG2 4.21Å; Y38-I212 HydrophobicContact CD2-CG2 4.05Å; Y38-I212 HydrophobicContact CE1-CD1 3.97Å; Y38-I212 HydrophobicContact CE1-CG1 4.48Å; Y38-I212 HydrophobicContact CE1-CG2 3.95Å; Y38-I212 HydrophobicContact CE2-CG2 3.78Å; Y38-I212 HydrophobicContact CG-CG2 4.25Å; Y38-L216 HydrophobicContact CD2-CD1 3.7Å; Y38-L216 HydrophobicContact CE2-CD1 3.98Å; Y38-L216 HydrophobicContact CE2-CD2 4.48Å; Y38-L216 HydrophobicContact CE2-CG 4.5Å |
| 39 | F | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -65 | -41.1 | 174.8 | -64.7 | -23.5 | 0 | 0 | 0 | 112 | F35 M36 E37 M43 F44 F53 V173 A176 Q177 | F35-F39 HydrophobicContact CB-CE2 4.45Å; F35-F39 HydrophobicContact CB-CZ 4.48Å; F35-F39 HydrophobicContact CD1-CE1 4.36Å; F35-F39 HydrophobicContact CD1-CZ 4.35Å; F35-F39 WeakPolarHBondContact O-CB 3.38Å; F35-F39 WeakPolarHBondContact O-CD2 3.42Å; F35-F39 WeakPolarHBondContact O-CG 3.39Å; F35-F39 PolarHBondContact O-N 3.43Å; M36-F39 HydrophobicContact CE-CD2 4.06Å; M36-F39 HydrophobicContact CE-CE2 3.95Å; M36-F39 PolarHBondContact O-N 3.12Å; E37-F39 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 3.01Å; F39-M43 HydrophobicContact CD1-CB 4.15Å; F39-M43 HydrophobicContact CD1-SD 3.86Å; F39-M43 HydrophobicContact CE1-SD 3.91Å; F39-F44 HydrophobicContact CB-CD2 4.02Å; F39-F44 HydrophobicContact CB-CE2 4.4Å; F39-F44 HydrophobicContact CD1-CE2 4.4Å; F39-F44 HydrophobicContact CG-CE2 4.42Å; F39-F44 WeakPolarHBondContact O-CA 3.47Å; F39-F44 WeakPolarHBondContact O-CB 3.41Å; F39-F44 PolarHBondContact O-N 2.96Å; F39-F53 HydrophobicContact CB-CD1 3.77Å; F39-F53 HydrophobicContact CB-CD2 3.95Å; F39-F53 HydrophobicContact CB-CE1 3.59Å; F39-F53 HydrophobicContact CB-CE2 3.79Å; F39-F53 HydrophobicContact CB-CG 3.95Å; F39-F53 HydrophobicContact CB-CZ 3.61Å; F39-F53 AromaticContact CD2-CD1 3.9Å; F39-F53 HydrophobicContact CD2-CD1 3.9Å; F39-F53 AromaticContact CD2-CE1 3.75Å; F39-F53 HydrophobicContact CD2-CE1 3.75Å; F39-F53 HydrophobicContact CG-CD1 4.35Å; F39-F53 HydrophobicContact CG-CE1 4.06Å; F39-F53 HydrophobicContact CG-CZ 4.4Å; F39-V173 HydrophobicContact CE2-CG1 4.21Å; F39-V173 HydrophobicContact CZ-CG1 3.73Å; F39-A176 HydrophobicContact CD2-CB 4.4Å; F39-A176 HydrophobicContact CE2-CB 4Å; F39-Q177 HydrophobicContact CE2-CB 4.48Å; F39-Q177 HydrophobicContact CZ-CB 4.04Å |
| 40 | A | 97.7 | Very high | 97.8 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -69.8 | -39 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M36 E37 A45 F53 | M36-A40 PolarHBondContact O-N 3.39Å; E37-A40 PolarHBondContact O-N 3.46Å; E37-A40 VanDerWaalsContact O-N 3.11Å; A40-A45 WeakPolarHBondContact O-CA 3.28Å; A40-F53 HydrophobicContact CB-CB 4.43Å; A40-F53 HydrophobicContact CB-CD2 3.95Å |
| 41 | E | 97.1 | Very high | 97.8 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -101.2 | -23.4 | -168.4 | -60.8 | -61.9 | 161.2 | 0 | 0 | 114.2 | F8 H9 E37 A45 K48 | F8-E41 HydrophobicContact CE1-CB 4.26Å; F8-E41 HydrophobicContact CZ-CB 4.02Å; H9-E41 IonicContact CE1-OE2 3.29Å; E37-E41 HydrophobicContact CG-CG 4.27Å; E37-E41 WeakPolarHBondContact O-CB 3.44Å; E37-E41 WeakPolarHBondContact O-CG 3.36Å; E37-E41 PolarHBondContact O-N 3.32Å; E41-A45 WeakPolarHBondContact O-CB 3.27Å; E41-K48 VanDerWaalsContact OE1-CE 3.25Å; E41-K48 WeakPolarHBondContact OE1-CE 3.43Å; E41-K48 IonicContact OE1-NZ 2.66Å; E41-K48 PolarHBondContact OE1-NZ 3.49Å; E41-K48 IonicContact OE2-NZ 2.71Å; E41-K48 PolarHBondContact OE2-NZ 2.93Å |
| 42 | E | 97.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 36.9 Ų | 36.9 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -123.3 | -55 | -177.9 | -68 | -85 | 165.6 | 0 | 0 | 112.1 | F8 Y38 L216 K219 | F8-E42 HydrophobicContact CE2-CG 4.11Å; F8-E42 HydrophobicContact CZ-CG 3.75Å; Y38-E42 HydrophobicContact CD2-CB 3.78Å; Y38-E42 HydrophobicContact CD2-CG 4.07Å; Y38-E42 HydrophobicContact CE2-CB 3.59Å; Y38-E42 HydrophobicContact CE2-CG 4.08Å; Y38-E42 PolarHBondContact O-N 3.45Å; E42-L216 HydrophobicContact CG-CD2 4.4Å; E42-K219 IonicContact OE1-NZ 3.13Å; E42-K219 PolarHBondContact OE1-NZ 3.28Å; E42-K219 IonicContact OE2-NZ 2.81Å; E42-K219 PolarHBondContact OE2-NZ 3.46Å |
| 43 | M | 97.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 27% | 0.271 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -75.8 | -35.9 | -169.1 | -166.8 | 178.1 | -178.4 | 0 | 0 | 114.2 | Y38 F39 Q177 | Y38-M43 HydrophobicContact CE1-CB 4.19Å; Y38-M43 PolarHBondContact O-N 3.27Å; Y38-M43 VanDerWaalsContact O-N 3.07Å; F39-M43 HydrophobicContact CD1-CB 4.15Å; F39-M43 HydrophobicContact CD1-SD 3.86Å; F39-M43 HydrophobicContact CE1-SD 3.91Å; M43-Q177 HydrophobicContact CE-CG 3.77Å; M43-Q177 VanDerWaalsContact CE-NE2 3.34Å; M43-Q177 HydrophobicContact SD-CG 3.91Å; M43-Q177 PolarHBondContact SD-NE2 2.68Å; M43-Q177 VanDerWaalsContact SD-NE2 3.39Å |
| 44 | F | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -128.5 | 32.2 | -179.8 | -56 | -84 | 0 | 0 | 0 | 111.4 | F39 E46 Q47 K48 F53 Q177 A180 K181 | F39-F44 HydrophobicContact CB-CD2 4.02Å; F39-F44 HydrophobicContact CB-CE2 4.4Å; F39-F44 HydrophobicContact CD1-CE2 4.4Å; F39-F44 HydrophobicContact CG-CE2 4.42Å; F39-F44 WeakPolarHBondContact O-CA 3.47Å; F39-F44 WeakPolarHBondContact O-CB 3.41Å; F39-F44 PolarHBondContact O-N 2.96Å; F44-E46 PolarHBondContact O-N 3.04Å; F44-E46 VanDerWaalsContact O-N 3.17Å; F44-Q47 HydrophobicContact CB-CB 4.4Å; F44-Q47 CarbonylContact O-C 3.59Å; F44-Q47 WeakPolarHBondContact O-CA 3Å; F44-Q47 PolarHBondContact O-N 3.22Å; F44-K48 PolarHBondContact O-N 3.34Å; F44-F53 HydrophobicContact CB-CE2 4.23Å; F44-F53 HydrophobicContact CD2-CE2 4.08Å; F44-F53 AromaticContact CD2-CZ 3.63Å; F44-F53 HydrophobicContact CD2-CZ 3.63Å; F44-F53 HydrophobicContact CE2-CZ 4.12Å; F44-F53 HydrophobicContact CG-CE2 4.47Å; F44-F53 HydrophobicContact CG-CZ 4.26Å; F44-Q177 HydrophobicContact CZ-CG 4.39Å; F44-A180 HydrophobicContact CD1-CB 4.23Å; F44-A180 HydrophobicContact CD2-CB 4.08Å; F44-A180 HydrophobicContact CE1-CB 3.78Å; F44-A180 HydrophobicContact CE2-CB 3.62Å; F44-A180 HydrophobicContact CG-CB 4.36Å; F44-A180 HydrophobicContact CZ-CB 3.45Å; F44-A180 VanDerWaalsContact CZ-CB 3.45Å; F44-K181 HydrophobicContact CE1-CG 4.08Å; F44-K181 HydrophobicContact CZ-CG 3.95Å |
| 45 | A | 97.6 | Very high | 97.6 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -54.8 | -36 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A40 E41 Q47 K48 | A40-A45 WeakPolarHBondContact O-CA 3.28Å; E41-A45 WeakPolarHBondContact O-CB 3.27Å; A45-Q47 PolarHBondContact O-N 2.77Å; A45-K48 WeakPolarHBondContact O-CB 3.44Å; A45-K48 PolarHBondContact O-N 3.01Å |
| 46 | E | 97.6 | Very high | 97.5 | Very high | 100 Ų | 100 | 41 Ų | 41 | 47% | 0.467 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -68.8 | -14.3 | 176.2 | 75.3 | -65.8 | 164.4 | 0 | 0 | 113.8 | F44 R186 | F44-E46 PolarHBondContact O-N 3.04Å; F44-E46 VanDerWaalsContact O-N 3.17Å; E46-R186 IonicContact OE1-CZ 3.64Å; E46-R186 IonicContact OE1-NH1 3.53Å; E46-R186 PolarHBondContact OE1-NH1 3.14Å; E46-R186 IonicContact OE1-NH2 3.91Å; E46-R186 PolarHBondContact OE1-NH2 2.77Å |
| 47 | Q | 97.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 15% | 0.145 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -107.2 | 6.5 | 176.8 | -55.4 | -64.2 | -45 | 0 | 0 | 112.4 | F44 A45 Q49 R50 I51 | F44-Q47 HydrophobicContact CB-CB 4.4Å; F44-Q47 CarbonylContact O-C 3.59Å; F44-Q47 WeakPolarHBondContact O-CA 3Å; F44-Q47 PolarHBondContact O-N 3.22Å; A45-Q47 PolarHBondContact O-N 2.77Å; Q47-Q49 PolarHBondContact O-N 3.12Å; Q47-R50 WeakPolarHBondContact O-CA 3.46Å; Q47-R50 PolarHBondContact O-N 3.44Å; Q47-I51 HydrophobicContact CB-CD1 3.77Å; Q47-I51 HydrophobicContact CB-CG1 4.08Å; Q47-I51 HydrophobicContact CG-CD1 4.43Å; Q47-I51 PolarHBondContact O-N 2.99Å |
| 48 | K | 95 | Very high | 97.2 | Very high | 87 Ų | 87 | 43.7 Ų | 43.7 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -28.1 | -178.3 | -173.3 | 174.9 | -172 | 173.3 | 0 | 113.5 | E41 F44 A45 K82 | E41-K48 VanDerWaalsContact OE1-CE 3.25Å; E41-K48 WeakPolarHBondContact OE1-CE 3.43Å; E41-K48 IonicContact OE1-NZ 2.66Å; E41-K48 PolarHBondContact OE1-NZ 3.49Å; E41-K48 IonicContact OE2-NZ 2.71Å; E41-K48 PolarHBondContact OE2-NZ 2.93Å; F44-K48 PolarHBondContact O-N 3.34Å; A45-K48 WeakPolarHBondContact O-CB 3.44Å; A45-K48 PolarHBondContact O-N 3.01Å; K48-K82 PolarHBondContact O-NZ 3.5Å |
| 49 | Q | 95.3 | Very high | 97.1 | Very high | 136 Ų | 136 | 41.9 Ų | 41.9 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -26.5 | 175.4 | -63.5 | -56.3 | -23.7 | 0 | 0 | 113.5 | Q47 K82 | Q47-Q49 PolarHBondContact O-N 3.12Å; Q49-K82 WeakPolarHBondContact O-CD 3.24Å; Q49-K82 PolarHBondContact O-NZ 3.16Å |
| 50 | R | 97.5 | Very high | 96.9 | Very high | 79 Ų | 79 | 43.5 Ų | 43.5 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -33.9 | -173.2 | -58 | 176.4 | 63.8 | -142.5 | 0.6 | 113 | Q47 K82 E83 L84 F183 | Q47-R50 WeakPolarHBondContact O-CA 3.46Å; Q47-R50 PolarHBondContact O-N 3.44Å; R50-K82 CarbonylContact O-C 3.55Å; R50-E83 WeakPolarHBondContact CD-OE1 3.23Å; R50-E83 VanDerWaalsContact CG-OE1 3.31Å; R50-E83 WeakPolarHBondContact CG-OE1 3.23Å; R50-E83 IonicContact CZ-OE1 2.76Å; R50-E83 IonicContact CZ-OE2 3.39Å; R50-E83 IonicContact NE-OE1 3.93Å; R50-E83 PolarHBondContact NE-OE1 3.4Å; R50-E83 IonicContact NE-OE2 3.67Å; R50-E83 PolarHBondContact NE-OE2 3.26Å; R50-E83 IonicContact NH2-OE1 2.71Å; R50-E83 IonicContact NH2-OE2 3.66Å; R50-E83 PolarHBondContact NH2-OE2 2.8Å; R50-E83 PolarHBondContact O-N 3.2Å; R50-L84 PolarHBondContact O-N 3.18Å; R50-L84 VanDerWaalsContact O-N 3.14Å; R50-F183 HydrophobicContact CB-CE1 4.11Å; R50-F183 HydrophobicContact CB-CZ 4.37Å; R50-F183 VanDerWaalsContact NH2-CZ 3.3Å |
| 51 | I | 98.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136 | -178 | -50.5 | 175.2 | 0 | 0 | 0 | 109.6 | Q47 F53 L84 I86 A180 F183 | Q47-I51 HydrophobicContact CB-CD1 3.77Å; Q47-I51 HydrophobicContact CB-CG1 4.08Å; Q47-I51 HydrophobicContact CG-CD1 4.43Å; Q47-I51 PolarHBondContact O-N 2.99Å; I51-F53 HydrophobicContact CB-CE2 4.25Å; I51-F53 HydrophobicContact CG2-CD2 3.97Å; I51-F53 HydrophobicContact CG2-CE1 4.49Å; I51-F53 HydrophobicContact CG2-CE2 3.57Å; I51-F53 HydrophobicContact CG2-CZ 3.86Å; I51-L84 CarbonylContact C-O 3.51Å; I51-L84 WeakPolarHBondContact CA-O 3.48Å; I51-L84 HydrophobicContact CD1-CD2 4.43Å; I51-L84 HydrophobicContact CG1-CB 4.34Å; I51-L84 HydrophobicContact CG1-CD2 4.26Å; I51-L84 HydrophobicContact CG2-CB 4.42Å; I51-L84 HydrophobicContact CG2-CD2 4.07Å; I51-I86 HydrophobicContact CG2-CD1 4.05Å; I51-I86 HydrophobicContact CG2-CG1 4.47Å; I51-A180 HydrophobicContact CD1-CB 4.44Å; I51-F183 HydrophobicContact CD1-CD1 3.67Å; I51-F183 HydrophobicContact CD1-CE1 4.14Å; I51-F183 HydrophobicContact CG1-CD1 3.72Å; I51-F183 HydrophobicContact CG1-CE1 3.72Å |
| 52 | A | 97.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | K82 L84 L85 I86 | A52-K82 HydrophobicContact CB-CB 4.45Å; A52-K82 HydrophobicContact CB-CD 4.04Å; A52-K82 HydrophobicContact CB-CG 3.89Å; A52-L84 PolarHBondContact N-O 2.85Å; A52-L85 HydrophobicContact CB-CG 4.16Å; A52-L85 WeakPolarHBondContact O-CA 3.37Å; A52-I86 PolarHBondContact O-N 3.48Å |
| 53 | F | 98.2 | Very high | 96.4 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124 | 165.5 | -63 | -89.1 | 0 | 0 | 0 | 107.7 | M36 F39 A40 F44 I51 I86 A180 | M36-F53 HydrophobicContact CB-CB 3.91Å; M36-F53 HydrophobicContact CG-CB 4.5Å; M36-F53 VanDerWaalsContact O-CB 3.29Å; M36-F53 WeakPolarHBondContact O-CB 3.44Å; M36-F53 HydrophobicContact SD-CB 4.18Å; M36-F53 HydrophobicContact SD-CD1 3.99Å; F39-F53 HydrophobicContact CB-CD1 3.77Å; F39-F53 HydrophobicContact CB-CD2 3.95Å; F39-F53 HydrophobicContact CB-CE1 3.59Å; F39-F53 HydrophobicContact CB-CE2 3.79Å; F39-F53 HydrophobicContact CB-CG 3.95Å; F39-F53 HydrophobicContact CB-CZ 3.61Å; F39-F53 AromaticContact CD2-CD1 3.9Å; F39-F53 HydrophobicContact CD2-CD1 3.9Å; F39-F53 AromaticContact CD2-CE1 3.75Å; F39-F53 HydrophobicContact CD2-CE1 3.75Å; F39-F53 HydrophobicContact CG-CD1 4.35Å; F39-F53 HydrophobicContact CG-CE1 4.06Å; F39-F53 HydrophobicContact CG-CZ 4.4Å; A40-F53 HydrophobicContact CB-CB 4.43Å; A40-F53 HydrophobicContact CB-CD2 3.95Å; F44-F53 HydrophobicContact CB-CE2 4.23Å; F44-F53 HydrophobicContact CD2-CE2 4.08Å; F44-F53 AromaticContact CD2-CZ 3.63Å; F44-F53 HydrophobicContact CD2-CZ 3.63Å; F44-F53 HydrophobicContact CE2-CZ 4.12Å; F44-F53 HydrophobicContact CG-CE2 4.47Å; F44-F53 HydrophobicContact CG-CZ 4.26Å; I51-F53 HydrophobicContact CB-CE2 4.25Å; I51-F53 HydrophobicContact CG2-CD2 3.97Å; I51-F53 HydrophobicContact CG2-CE1 4.49Å; I51-F53 HydrophobicContact CG2-CE2 3.57Å; I51-F53 HydrophobicContact CG2-CZ 3.86Å; F53-I86 HydrophobicContact CD1-CB 4Å; F53-I86 HydrophobicContact CD1-CD1 4.05Å; F53-I86 HydrophobicContact CD1-CG2 4.03Å; F53-I86 HydrophobicContact CE1-CB 4.33Å; F53-I86 HydrophobicContact CE1-CD1 3.49Å; F53-I86 VanDerWaalsContact CE1-CD1 3.49Å; F53-I86 HydrophobicContact CE1-CG1 4.47Å; F53-I86 HydrophobicContact CE1-CG2 4.31Å; F53-I86 HydrophobicContact CZ-CD1 4.01Å; F53-A180 HydrophobicContact CE1-CB 4.09Å; F53-A180 HydrophobicContact CZ-CB 3.69Å |
| 54 | V | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -101.9 | 131.4 | -168 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | L58 A59 W79 I86 I87 P88 | V54-L58 HydrophobicContact CG1-CB 4.36Å; V54-L58 HydrophobicContact CG1-CD2 4.16Å; V54-L58 HydrophobicContact CG1-CG 4.28Å; V54-A59 HydrophobicContact CG1-CB 4.33Å; V54-W79 HydrophobicContact CB-CZ2 4.3Å; V54-W79 HydrophobicContact CG1-CH2 3.88Å; V54-W79 HydrophobicContact CG1-CZ2 3.88Å; V54-W79 HydrophobicContact CG2-CH2 3.89Å; V54-W79 HydrophobicContact CG2-CZ2 3.46Å; V54-W79 VanDerWaalsContact CG2-CZ2 3.46Å; V54-I86 PolarHBondContact N-O 2.89Å; V54-I87 HydrophobicContact CB-CB 4.33Å; V54-I87 HydrophobicContact CB-CG1 4.07Å; V54-I87 HydrophobicContact CB-CG2 4.1Å; V54-I87 HydrophobicContact CG1-CG2 4.12Å; V54-I87 HydrophobicContact CG2-CD1 4.47Å; V54-I87 HydrophobicContact CG2-CG1 3.76Å; V54-P88 WeakPolarHBondContact O-CD 3.42Å |
| 55 | D | 96.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 43 Ų | 43 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 131.7 | 172.8 | 179.8 | -81.3 | 0 | 0 | 0 | 111 | A33 S57 L58 A59 | A33-D55 VanDerWaalsContact CB-OD2 3.24Å; A33-D55 WeakPolarHBondContact CB-OD2 3.37Å; D55-S57 VanDerWaalsContact C-N 3.25Å; D55-S57 PolarHBondContact O-N 2.95Å; D55-S57 WeakPolarHBondContact OD1-CA 3.49Å; D55-S57 WeakPolarHBondContact OD1-CB 3.28Å; D55-S57 PolarHBondContact OD1-N 3.35Å; D55-S57 PolarHBondContact OD1-OG 2.88Å; D55-S57 VanDerWaalsContact OD1-OG 3.08Å; D55-L58 HydrophobicContact CB-CB 4.11Å; D55-L58 WeakPolarHBondContact O-CB 3.4Å; D55-L58 PolarHBondContact O-N 3.44Å; D55-L58 VanDerWaalsContact O-N 3.08Å; D55-L58 PolarHBondContact OD1-N 3.03Å; D55-L58 VanDerWaalsContact OD1-N 3.15Å; D55-A59 PolarHBondContact O-N 3.21Å |
| 56 | P | 97.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -34.2 | 179.4 | -24.2 | 31.2 | 0 | 0 | 0 | 114.5 | D29 L32 A59 H60 P88 W102 | D29-P56 HydrophobicContact CB-CB 4.27Å; L32-P56 HydrophobicContact CB-CG 3.67Å; P56-A59 PolarHBondContact O-N 3.48Å; P56-H60 WeakPolarHBondContact O-CB 3.41Å; P56-H60 PolarHBondContact O-N 3.08Å; P56-P88 HydrophobicContact CB-CB 4.42Å; P56-P88 HydrophobicContact CG-CB 4.06Å; P56-P88 HydrophobicContact CG-CG 4.17Å; P56-W102 HydrophobicContact CB-CH2 3.86Å; P56-W102 HydrophobicContact CB-CZ3 3.95Å |
| 57 | S | 95.2 | Very high | 94.4 | Very high | 64 Ų | 64 | 42.9 Ų | 42.9 | 45% | 0.448 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70 | -39.4 | 176.9 | -39.6 | 0 | 0 | 0 | 0 | 110.9 | D55 H60 L61 | D55-S57 VanDerWaalsContact C-N 3.25Å; D55-S57 PolarHBondContact O-N 2.95Å; D55-S57 WeakPolarHBondContact OD1-CA 3.49Å; D55-S57 WeakPolarHBondContact OD1-CB 3.28Å; D55-S57 PolarHBondContact OD1-N 3.35Å; D55-S57 PolarHBondContact OD1-OG 2.88Å; D55-S57 VanDerWaalsContact OD1-OG 3.08Å; S57-H60 PolarHBondContact O-N 2.86Å; S57-L61 WeakPolarHBondContact O-CB 3.4Å; S57-L61 PolarHBondContact O-N 3.46Å |
| 58 | L | 94.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 171.7 | 177.6 | 59.5 | 0 | 0 | 0 | 110.9 | V54 D55 H60 L61 L62 F73 L77 W79 | V54-L58 HydrophobicContact CG1-CB 4.36Å; V54-L58 HydrophobicContact CG1-CD2 4.16Å; V54-L58 HydrophobicContact CG1-CG 4.28Å; D55-L58 HydrophobicContact CB-CB 4.11Å; D55-L58 WeakPolarHBondContact O-CB 3.4Å; D55-L58 PolarHBondContact O-N 3.44Å; D55-L58 VanDerWaalsContact O-N 3.08Å; D55-L58 PolarHBondContact OD1-N 3.03Å; D55-L58 VanDerWaalsContact OD1-N 3.15Å; L58-H60 VanDerWaalsContact C-N 3.3Å; L58-H60 PolarHBondContact O-N 2.91Å; L58-L61 HydrophobicContact CD1-CD2 4.31Å; L58-L61 WeakPolarHBondContact O-CB 3.48Å; L58-L61 PolarHBondContact O-N 2.96Å; L58-L62 HydrophobicContact CD1-CD1 4.34Å; L58-L62 HydrophobicContact CD1-CG 4.14Å; L58-L62 HydrophobicContact CG-CD1 4.2Å; L58-L62 HydrophobicContact CG-CG 4.44Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.44Å; L58-L62 PolarHBondContact O-N 3.25Å; L58-F73 HydrophobicContact CD1-CD1 4.44Å; L58-F73 HydrophobicContact CD1-CE1 4.24Å; L58-L77 HydrophobicContact CD1-CD1 4.44Å; L58-L77 HydrophobicContact CD2-CD1 4Å; L58-L77 HydrophobicContact CD2-CD2 3.62Å; L58-L77 HydrophobicContact CD2-CG 4.48Å; L58-W79 HydrophobicContact CD2-CH2 4.11Å; L58-W79 HydrophobicContact CD2-CZ2 3.89Å |
| 59 | A | 95.8 | Very high | 93 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V54 D55 P56 L62 K63 I87 P88 L133 | V54-A59 HydrophobicContact CG1-CB 4.33Å; D55-A59 PolarHBondContact O-N 3.21Å; P56-A59 PolarHBondContact O-N 3.48Å; A59-L62 PolarHBondContact O-N 2.73Å; A59-K63 WeakPolarHBondContact O-CB 3.5Å; A59-K63 PolarHBondContact O-N 3.15Å; A59-I87 HydrophobicContact CB-CG2 3.52Å; A59-P88 WeakPolarHBondContact CB-O 3.22Å; A59-L133 HydrophobicContact CB-CD2 4.45Å |
| 60 | H | 95.6 | Very high | 92.4 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 17% | 0.167 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 175.8 | -168.1 | 62.6 | 0 | 0 | 0 | 112.3 | P56 S57 L58 L62 K63 M64 C92 S94 | P56-H60 WeakPolarHBondContact O-CB 3.41Å; P56-H60 PolarHBondContact O-N 3.08Å; S57-H60 PolarHBondContact O-N 2.86Å; L58-H60 VanDerWaalsContact C-N 3.3Å; L58-H60 PolarHBondContact O-N 2.91Å; H60-L62 PolarHBondContact O-N 3.29Å; H60-K63 VanDerWaalsContact ND1-CE 3.3Å; H60-K63 WeakPolarHBondContact ND1-CE 3.12Å; H60-K63 WeakPolarHBondContact O-CB 3.39Å; H60-K63 PolarHBondContact O-N 2.98Å; H60-M64 WeakPolarHBondContact O-CB 3.45Å; H60-M64 VanDerWaalsContact O-CG 3.27Å; H60-M64 WeakPolarHBondContact O-CG 3.47Å; H60-M64 PolarHBondContact O-N 3.19Å; H60-C92 PolarHBondContact CE1-O 3.26Å; H60-S94 PolarHBondContact CE1-O 2.92Å; H60-S94 PolarHBondContact NE2-O 2.7Å |
| 61 | L | 93.7 | Very high | 91.2 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.2 | -49.6 | 174.4 | 177.2 | 65.4 | 0 | 0 | 0 | 111.1 | S57 L58 K63 M64 A65 F73 | S57-L61 WeakPolarHBondContact O-CB 3.4Å; S57-L61 PolarHBondContact O-N 3.46Å; L58-L61 HydrophobicContact CD1-CD2 4.31Å; L58-L61 WeakPolarHBondContact O-CB 3.48Å; L58-L61 PolarHBondContact O-N 2.96Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 2.75Å; L61-M64 PolarHBondContact O-N 2.89Å; L61-A65 VanDerWaalsContact O-CB 3.23Å; L61-A65 WeakPolarHBondContact O-CB 3.32Å; L61-A65 PolarHBondContact O-N 2.95Å; L61-F73 HydrophobicContact CD2-CE1 4.04Å; L61-F73 HydrophobicContact CD2-CZ 4.23Å |
| 62 | L | 93.3 | Very high | 90 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 178.9 | -69.3 | 173.8 | 0 | 0 | 0 | 112.1 | L58 A59 H60 M64 L70 F73 W79 L133 K136 L137 I140 | L58-L62 HydrophobicContact CD1-CD1 4.34Å; L58-L62 HydrophobicContact CD1-CG 4.14Å; L58-L62 HydrophobicContact CG-CD1 4.2Å; L58-L62 HydrophobicContact CG-CG 4.44Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.44Å; L58-L62 PolarHBondContact O-N 3.25Å; A59-L62 PolarHBondContact O-N 2.73Å; H60-L62 PolarHBondContact O-N 3.29Å; L62-M64 VanDerWaalsContact C-N 3.31Å; L62-M64 PolarHBondContact O-N 2.69Å; L62-L70 HydrophobicContact CD2-CD2 3.45Å; L62-L70 VanDerWaalsContact CD2-CD2 3.45Å; L62-F73 HydrophobicContact CD2-CB 4.47Å; L62-F73 HydrophobicContact CD2-CD1 3.57Å; L62-F73 HydrophobicContact CD2-CE1 4Å; L62-F73 HydrophobicContact CD2-CG 4.12Å; L62-W79 HydrophobicContact CD1-CH2 3.54Å; L62-W79 HydrophobicContact CD1-CZ3 3.6Å; L62-L133 HydrophobicContact CB-CD1 3.93Å; L62-K136 WeakPolarHBondContact O-CG 3.49Å; L62-L137 HydrophobicContact CD1-CD2 4.11Å; L62-I140 HydrophobicContact CD2-CD1 3.8Å |
| 63 | K | 94 | Very high | 89 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.2 | -175.6 | 175.8 | 65.7 | 172 | 0 | 111.6 | A59 H60 L61 N90 C92 S129 L132 L133 | A59-K63 WeakPolarHBondContact O-CB 3.5Å; A59-K63 PolarHBondContact O-N 3.15Å; H60-K63 VanDerWaalsContact ND1-CE 3.3Å; H60-K63 WeakPolarHBondContact ND1-CE 3.12Å; H60-K63 WeakPolarHBondContact O-CB 3.39Å; H60-K63 PolarHBondContact O-N 2.98Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 2.75Å; K63-N90 PolarHBondContact NZ-O 2.71Å; K63-C92 VanDerWaalsContact CE-O 3.32Å; K63-C92 WeakPolarHBondContact CE-O 3.29Å; K63-C92 PolarHBondContact NZ-O 3.47Å; K63-S129 PolarHBondContact NZ-OG 3.05Å; K63-S129 VanDerWaalsContact NZ-OG 3.11Å; K63-L132 HydrophobicContact CG-CB 4.32Å; K63-L132 HydrophobicContact CG-CD2 3.76Å; K63-L132 HydrophobicContact CG-CG 3.99Å; K63-L132 WeakPolarHBondContact O-CD2 3.42Å; K63-L133 HydrophobicContact CB-CB 4.4Å; K63-L133 HydrophobicContact CB-CD1 4.21Å; K63-L133 HydrophobicContact CG-CB 4.42Å |
| 64 | M | 93 | Very high | 87.6 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -91.5 | -19.9 | -173.5 | -60.5 | -56.6 | -61.8 | 0 | 0 | 114.4 | H60 L61 L62 A95 | H60-M64 WeakPolarHBondContact O-CB 3.45Å; H60-M64 VanDerWaalsContact O-CG 3.27Å; H60-M64 WeakPolarHBondContact O-CG 3.47Å; H60-M64 PolarHBondContact O-N 3.19Å; L61-M64 PolarHBondContact O-N 2.89Å; L62-M64 VanDerWaalsContact C-N 3.31Å; L62-M64 PolarHBondContact O-N 2.69Å; M64-A95 HydrophobicContact CE-CB 4.23Å |
| 65 | A | 90 | Very high | 86.4 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -67.3 | 152.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L61 L70 K136 | L61-A65 VanDerWaalsContact O-CB 3.23Å; L61-A65 WeakPolarHBondContact O-CB 3.32Å; L61-A65 PolarHBondContact O-N 2.95Å; A65-L70 HydrophobicContact CB-CD2 3.71Å; A65-L70 HydrophobicContact CB-CG 4.1Å; A65-K136 WeakPolarHBondContact O-CE 3.28Å; A65-K136 PolarHBondContact O-NZ 3.11Å |
| 66 | D | 86.6 | Confident | 85.6 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | trans | -68.6 | 143.7 | 169.4 | -170.3 | -64.7 | 0 | 0 | 0 | 110.1 | R68 D69 L70 | D66-R68 PolarHBondContact O-N 3.05Å; D66-R68 VanDerWaalsContact O-N 3.14Å; D66-R68 WeakPolarHBondContact OD1-CB 3.49Å; D66-R68 WeakPolarHBondContact OD1-CG 3.3Å; D66-R68 IonicContact OD1-CZ 3.69Å; D66-R68 PolarHBondContact OD1-N 3Å; D66-R68 IonicContact OD1-NE 2.83Å; D66-R68 PolarHBondContact OD1-NE 3.24Å; D66-R68 IonicContact OD1-NH2 2.67Å; D66-R68 IonicContact OD2-CZ 2.85Å; D66-R68 IonicContact OD2-NE 2.72Å; D66-R68 PolarHBondContact OD2-NE 3.38Å; D66-R68 IonicContact OD2-NH2 3.11Å; D66-R68 PolarHBondContact OD2-NH2 2.92Å; D66-D69 PolarHBondContact O-N 2.86Å; D66-D69 VanDerWaalsContact O-N 3.11Å; D66-L70 WeakPolarHBondContact O-CG 3.24Å | ||
| 67 | K | 80.2 | Confident | 85 | Confident | 77 Ų | 77 | 67.1 Ų | 67.1 | 34% | 0.335 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.1 | -179.7 | -73.6 | -172.7 | 177.7 | -177.9 | 0 | 112.4 | D69 L70 K136 | K67-D69 VanDerWaalsContact C-N 3.32Å; K67-D69 PolarHBondContact O-N 3.48Å; K67-L70 PolarHBondContact O-N 2.67Å; K67-K136 HydrophobicContact CG-CD 4.11Å |
| 68 | R | 79.2 | Confident | 84.6 | Confident | 179 Ų | 179 | 66 Ų | 66 | 68% | 0.675 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -36 | 179.4 | -67.4 | 171.7 | -69.5 | 169.3 | 0.9 | 112.1 | D66 L70 | D66-R68 PolarHBondContact O-N 3.05Å; D66-R68 VanDerWaalsContact O-N 3.14Å; D66-R68 WeakPolarHBondContact OD1-CB 3.49Å; D66-R68 WeakPolarHBondContact OD1-CG 3.3Å; D66-R68 IonicContact OD1-CZ 3.69Å; D66-R68 PolarHBondContact OD1-N 3Å; D66-R68 IonicContact OD1-NE 2.83Å; D66-R68 PolarHBondContact OD1-NE 3.24Å; D66-R68 IonicContact OD1-NH2 2.67Å; D66-R68 IonicContact OD2-CZ 2.85Å; D66-R68 IonicContact OD2-NE 2.72Å; D66-R68 PolarHBondContact OD2-NE 3.38Å; D66-R68 IonicContact OD2-NH2 3.11Å; D66-R68 PolarHBondContact OD2-NH2 2.92Å; R68-L70 VanDerWaalsContact C-N 3.3Å |
| 69 | D | 83.3 | Confident | 84.4 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -76 | -22.5 | -179.2 | -58.2 | -32 | 0 | 0 | 0 | 111.8 | D66 K67 R71 F73 | D66-D69 PolarHBondContact O-N 2.86Å; D66-D69 VanDerWaalsContact O-N 3.11Å; K67-D69 VanDerWaalsContact C-N 3.32Å; K67-D69 PolarHBondContact O-N 3.48Å; D69-R71 VanDerWaalsContact C-N 3.33Å; D69-R71 PolarHBondContact O-N 3.41Å; D69-F73 VanDerWaalsContact O-CD2 3.28Å; D69-F73 WeakPolarHBondContact O-CD2 3.42Å; D69-F73 VanDerWaalsContact O-CE2 3.29Å; D69-F73 WeakPolarHBondContact O-CE2 3.26Å |
| 70 | L | 82.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -77 | -13.9 | -175.1 | -67.4 | -178.7 | 0 | 0 | 0 | 114.8 | L62 A65 D66 K67 R68 T72 F73 P74 K136 I140 | L62-L70 HydrophobicContact CD2-CD2 3.45Å; L62-L70 VanDerWaalsContact CD2-CD2 3.45Å; A65-L70 HydrophobicContact CB-CD2 3.71Å; A65-L70 HydrophobicContact CB-CG 4.1Å; D66-L70 WeakPolarHBondContact O-CG 3.24Å; K67-L70 PolarHBondContact O-N 2.67Å; R68-L70 VanDerWaalsContact C-N 3.3Å; L70-T72 PolarHBondContact O-N 3.14Å; L70-T72 VanDerWaalsContact O-N 3.14Å; L70-F73 HydrophobicContact CD2-CD2 4.08Å; L70-F73 HydrophobicContact CD2-CE2 4.22Å; L70-F73 HydrophobicContact CD2-CG 4.25Å; L70-F73 WeakPolarHBondContact O-CB 3.36Å; L70-F73 PolarHBondContact O-N 2.77Å; L70-F73 VanDerWaalsContact O-N 3.15Å; L70-P74 WeakPolarHBondContact O-CD 3.5Å; L70-K136 HydrophobicContact CD1-CB 3.89Å; L70-K136 HydrophobicContact CD1-CD 3.59Å; L70-K136 HydrophobicContact CD1-CG 4.19Å; L70-I140 HydrophobicContact CB-CD1 4.01Å; L70-I140 HydrophobicContact CB-CG1 3.99Å; L70-I140 HydrophobicContact CD1-CD1 4.08Å; L70-I140 HydrophobicContact CD2-CD1 4.11Å; L70-I140 HydrophobicContact CG-CD1 4.29Å |
| 71 | R | 72.4 | Confident | 83.5 | Confident | 197 Ų | 197 | 73.9 Ų | 73.9 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -62.5 | -25.6 | -172.5 | -66.4 | -176.4 | -179.8 | -172.1 | -0.2 | 114.1 | D69 | D69-R71 VanDerWaalsContact C-N 3.33Å; D69-R71 PolarHBondContact O-N 3.41Å |
| 72 | T | 73.4 | Confident | 83.5 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -95.1 | -14.5 | -179.5 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | L70 P74 L76 | L70-T72 PolarHBondContact O-N 3.14Å; L70-T72 VanDerWaalsContact O-N 3.14Å; T72-P74 VanDerWaalsContact C-CD 3.42Å; T72-L76 VanDerWaalsContact O-CG 3.32Å; T72-L76 WeakPolarHBondContact O-CG 3.27Å; T72-L76 PolarHBondContact O-N 3.08Å |
| 73 | F | 77.9 | Confident | 83.7 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | -177 | -82.1 | -111.1 | 0 | 0 | 0 | 114.9 | L58 L61 L62 D69 L70 Q75 L76 L77 | L58-F73 HydrophobicContact CD1-CD1 4.44Å; L58-F73 HydrophobicContact CD1-CE1 4.24Å; L61-F73 HydrophobicContact CD2-CE1 4.04Å; L61-F73 HydrophobicContact CD2-CZ 4.23Å; L62-F73 HydrophobicContact CD2-CB 4.47Å; L62-F73 HydrophobicContact CD2-CD1 3.57Å; L62-F73 HydrophobicContact CD2-CE1 4Å; L62-F73 HydrophobicContact CD2-CG 4.12Å; D69-F73 VanDerWaalsContact O-CD2 3.28Å; D69-F73 WeakPolarHBondContact O-CD2 3.42Å; D69-F73 VanDerWaalsContact O-CE2 3.29Å; D69-F73 WeakPolarHBondContact O-CE2 3.26Å; L70-F73 HydrophobicContact CD2-CD2 4.08Å; L70-F73 HydrophobicContact CD2-CE2 4.22Å; L70-F73 HydrophobicContact CD2-CG 4.25Å; L70-F73 WeakPolarHBondContact O-CB 3.36Å; L70-F73 PolarHBondContact O-N 2.77Å; L70-F73 VanDerWaalsContact O-N 3.15Å; F73-Q75 VanDerWaalsContact C-N 3.27Å; F73-Q75 PolarHBondContact O-N 3.33Å; F73-L76 PolarHBondContact O-N 2.79Å; F73-L76 VanDerWaalsContact O-N 3.15Å; F73-L77 HydrophobicContact CB-CD1 4.22Å; F73-L77 HydrophobicContact CD1-CD1 4.1Å; F73-L77 WeakPolarHBondContact O-CB 3.5Å; F73-L77 VanDerWaalsContact O-CG 3.26Å; F73-L77 WeakPolarHBondContact O-CG 3.45Å; F73-L77 PolarHBondContact O-N 3.12Å |
| 74 | P | 68.9 | Low | 83.9 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 7% | 0.071 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.3 | -39.3 | -174.5 | -2.1 | 2.2 | 0 | 0 | 0 | 112.7 | L70 T72 G78 W79 N80 I140 | L70-P74 WeakPolarHBondContact O-CD 3.5Å; T72-P74 VanDerWaalsContact C-CD 3.42Å; P74-G78 PolarHBondContact O-N 3.01Å; P74-G78 VanDerWaalsContact O-N 3.1Å; P74-W79 PolarHBondContact O-N 3.34Å; P74-W79 VanDerWaalsContact O-N 3.11Å; P74-N80 VanDerWaalsContact CB-OD1 3.23Å; P74-N80 WeakPolarHBondContact CB-OD1 3.47Å; P74-I140 HydrophobicContact CB-CG2 3.65Å; P74-I140 HydrophobicContact CG-CB 4.14Å; P74-I140 HydrophobicContact CG-CG2 3.42Å; P74-I140 VanDerWaalsContact CG-CG2 3.42Å; P74-I140 VanDerWaalsContact CG-O 3.25Å; P74-I140 WeakPolarHBondContact CG-O 3.25Å |
| 75 | Q | 72 | Confident | 84.2 | Confident | 148 Ų | 148 | 70.8 Ų | 70.8 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -72.1 | -39.5 | 178.7 | -67 | 165.1 | 3.6 | 0 | 0 | 111.4 | F73 L77 | F73-Q75 VanDerWaalsContact C-N 3.27Å; F73-Q75 PolarHBondContact O-N 3.33Å; Q75-L77 VanDerWaalsContact C-N 3.34Å |
| 76 | L | 78.4 | Confident | 84.6 | Confident | 136 Ų | 136 | 70 Ų | 70 | 71% | 0.712 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.2 | -35.2 | 177.4 | -68.5 | 170.4 | 0 | 0 | 0 | 112.5 | T72 F73 | T72-L76 VanDerWaalsContact O-CG 3.32Å; T72-L76 WeakPolarHBondContact O-CG 3.27Å; T72-L76 PolarHBondContact O-N 3.08Å; F73-L76 PolarHBondContact O-N 2.79Å; F73-L76 VanDerWaalsContact O-N 3.15Å |
| 77 | L | 84.7 | Confident | 85.2 | Confident | 53 Ų | 53 | 67 Ų | 67 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -89.5 | -9.6 | -177.8 | -62.6 | 172.8 | 0 | 0 | 0 | 113.4 | L58 F73 Q75 W79 | L58-L77 HydrophobicContact CD1-CD1 4.44Å; L58-L77 HydrophobicContact CD2-CD1 4Å; L58-L77 HydrophobicContact CD2-CD2 3.62Å; L58-L77 HydrophobicContact CD2-CG 4.48Å; F73-L77 HydrophobicContact CB-CD1 4.22Å; F73-L77 HydrophobicContact CD1-CD1 4.1Å; F73-L77 WeakPolarHBondContact O-CB 3.5Å; F73-L77 VanDerWaalsContact O-CG 3.26Å; F73-L77 WeakPolarHBondContact O-CG 3.45Å; F73-L77 PolarHBondContact O-N 3.12Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; L77-W79 VanDerWaalsContact C-N 3.28Å; L77-W79 HydrophobicContact CB-CD2 3.84Å; L77-W79 HydrophobicContact CB-CG 3.84Å; L77-W79 HydrophobicContact CB-CZ2 4.44Å; L77-W79 HydrophobicContact CD1-CD2 3.88Å; L77-W79 HydrophobicContact CD1-CE3 3.81Å; L77-W79 HydrophobicContact CD1-CH2 3.66Å; L77-W79 HydrophobicContact CD1-CZ2 3.7Å; L77-W79 HydrophobicContact CD1-CZ3 3.71Å; L77-W79 PolarHBondContact O-N 3.5Å |
| 78 | G | 86.7 | Confident | 86 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 31.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P74 K82 | P74-G78 PolarHBondContact O-N 3.01Å; P74-G78 VanDerWaalsContact O-N 3.1Å; G78-K82 WeakPolarHBondContact O-CE 3.33Å |
| 79 | W | 91.2 | Very high | 86.9 | Confident | 12 Ų | 12 | 55 Ų | 55 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | trans | -85.1 | -13.1 | -175 | -72.6 | -1.8 | 0 | 0 | 0 | 114.4 | V54 L58 L62 P74 L77 E81 K82 L85 R109 L137 L141 | V54-W79 HydrophobicContact CB-CZ2 4.3Å; V54-W79 HydrophobicContact CG1-CH2 3.88Å; V54-W79 HydrophobicContact CG1-CZ2 3.88Å; V54-W79 HydrophobicContact CG2-CH2 3.89Å; V54-W79 HydrophobicContact CG2-CZ2 3.46Å; V54-W79 VanDerWaalsContact CG2-CZ2 3.46Å; L58-W79 HydrophobicContact CD2-CH2 4.11Å; L58-W79 HydrophobicContact CD2-CZ2 3.89Å; L62-W79 HydrophobicContact CD1-CH2 3.54Å; L62-W79 HydrophobicContact CD1-CZ3 3.6Å; P74-W79 PolarHBondContact O-N 3.34Å; P74-W79 VanDerWaalsContact O-N 3.11Å; L77-W79 VanDerWaalsContact C-N 3.28Å; L77-W79 HydrophobicContact CB-CD2 3.84Å; L77-W79 HydrophobicContact CB-CG 3.84Å; L77-W79 HydrophobicContact CB-CZ2 4.44Å; L77-W79 HydrophobicContact CD1-CD2 3.88Å; L77-W79 HydrophobicContact CD1-CE3 3.81Å; L77-W79 HydrophobicContact CD1-CH2 3.66Å; L77-W79 HydrophobicContact CD1-CZ2 3.7Å; L77-W79 HydrophobicContact CD1-CZ3 3.71Å; L77-W79 PolarHBondContact O-N 3.5Å; W79-E81 PolarHBondContact O-N 3.08Å; W79-K82 HydrophobicContact CB-CG 4.48Å; W79-K82 PolarHBondContact O-N 3.35Å; W79-K82 VanDerWaalsContact O-N 3.14Å; W79-L85 HydrophobicContact CD2-CD2 3.8Å; W79-L85 HydrophobicContact CD2-CG 4.49Å; W79-L85 HydrophobicContact CE3-CD2 3.63Å; W79-L85 HydrophobicContact CG-CD2 4.29Å; W79-L85 HydrophobicContact CZ3-CD2 4Å; W79-R109 PolarHBondContact O-NH2 2.81Å; W79-L137 HydrophobicContact CZ3-CD2 3.79Å; W79-L141 HydrophobicContact CB-CD2 4.05Å; W79-L141 HydrophobicContact CE3-CD2 4.3Å | ||
| 80 | N | 84 | Confident | 87.6 | Confident | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.3 | -177.9 | -68.8 | -8.1 | 0 | 0 | 0 | 112.8 | P74 R109 | P74-N80 VanDerWaalsContact CB-OD1 3.23Å; P74-N80 WeakPolarHBondContact CB-OD1 3.47Å; N80-R109 PolarHBondContact O-NH2 3.11Å |
| 81 | E | 87.8 | Confident | 88.2 | Confident | 155 Ų | 155 | 51.7 Ų | 51.7 | 72% | 0.724 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -6.1 | -177.2 | -60.2 | 179.8 | 179.5 | 0 | 0 | 113.1 | W79 E83 | W79-E81 PolarHBondContact O-N 3.08Å; E81-E83 PolarHBondContact O-N 3.27Å |
| 82 | K | 95 | Very high | 89.4 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | trans | -72.7 | 129.7 | -179.4 | -56.6 | -64.5 | 176.7 | -154.1 | 0 | 110.3 | K48 Q49 R50 A52 G78 W79 L85 R109 | K48-K82 PolarHBondContact O-NZ 3.5Å; Q49-K82 WeakPolarHBondContact O-CD 3.24Å; Q49-K82 PolarHBondContact O-NZ 3.16Å; R50-K82 CarbonylContact O-C 3.55Å; A52-K82 HydrophobicContact CB-CB 4.45Å; A52-K82 HydrophobicContact CB-CD 4.04Å; A52-K82 HydrophobicContact CB-CG 3.89Å; G78-K82 WeakPolarHBondContact O-CE 3.33Å; W79-K82 HydrophobicContact CB-CG 4.48Å; W79-K82 PolarHBondContact O-N 3.35Å; W79-K82 VanDerWaalsContact O-N 3.14Å; K82-L85 HydrophobicContact CB-CD1 3.65Å; K82-L85 HydrophobicContact CG-CD1 4.47Å; K82-R109 WeakPolarHBondContact O-CD 3.48Å; K82-R109 PolarHBondContact O-NE 2.89Å | ||
| 83 | E | 97 | Very high | 90.3 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -82.7 | -28 | 175.7 | -69.2 | 171.1 | -120.2 | 0 | 0 | 111.9 | R50 E81 R109 F183 | R50-E83 WeakPolarHBondContact CD-OE1 3.23Å; R50-E83 VanDerWaalsContact CG-OE1 3.31Å; R50-E83 WeakPolarHBondContact CG-OE1 3.23Å; R50-E83 IonicContact CZ-OE1 2.76Å; R50-E83 IonicContact CZ-OE2 3.39Å; R50-E83 IonicContact NE-OE1 3.93Å; R50-E83 PolarHBondContact NE-OE1 3.4Å; R50-E83 IonicContact NE-OE2 3.67Å; R50-E83 PolarHBondContact NE-OE2 3.26Å; R50-E83 IonicContact NH2-OE1 2.71Å; R50-E83 IonicContact NH2-OE2 3.66Å; R50-E83 PolarHBondContact NH2-OE2 2.8Å; R50-E83 PolarHBondContact O-N 3.2Å; E81-E83 PolarHBondContact O-N 3.27Å; E83-R109 WeakPolarHBondContact O-CB 3.36Å; E83-R109 PolarHBondContact O-N 3.08Å; E83-F183 HydrophobicContact CB-CE2 3.96Å; E83-F183 HydrophobicContact CB-CZ 3.6Å; E83-F183 HydrophobicContact CG-CZ 4.48Å |
| 84 | L | 98.3 | Very high | 91 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 129.2 | -177.6 | -169.6 | 75.4 | 0 | 0 | 0 | 110.7 | R50 I51 A52 I86 V106 Y107 R108 V179 F183 | R50-L84 PolarHBondContact O-N 3.18Å; R50-L84 VanDerWaalsContact O-N 3.14Å; I51-L84 CarbonylContact C-O 3.51Å; I51-L84 WeakPolarHBondContact CA-O 3.48Å; I51-L84 HydrophobicContact CD1-CD2 4.43Å; I51-L84 HydrophobicContact CG1-CB 4.34Å; I51-L84 HydrophobicContact CG1-CD2 4.26Å; I51-L84 HydrophobicContact CG2-CB 4.42Å; I51-L84 HydrophobicContact CG2-CD2 4.07Å; A52-L84 PolarHBondContact N-O 2.85Å; L84-I86 HydrophobicContact CD2-CD1 3.74Å; L84-I86 HydrophobicContact CD2-CG1 3.92Å; L84-I86 HydrophobicContact CG-CD1 4.47Å; L84-I86 HydrophobicContact CG-CG1 4.11Å; L84-V106 HydrophobicContact CD1-CG1 3.55Å; L84-V106 HydrophobicContact CG-CG1 4.37Å; L84-Y107 WeakPolarHBondContact CA-O 3.47Å; L84-R108 HydrophobicContact CD1-CG 3.87Å; L84-V179 HydrophobicContact CD1-CG1 4.49Å; L84-V179 HydrophobicContact CD2-CG1 4.16Å; L84-F183 HydrophobicContact CB-CD2 4.09Å; L84-F183 HydrophobicContact CB-CE2 4.05Å; L84-F183 HydrophobicContact CB-CG 4.36Å; L84-F183 HydrophobicContact CB-CZ 4.29Å; L84-F183 HydrophobicContact CD1-CD2 4.26Å; L84-F183 HydrophobicContact CD2-CB 3.73Å; L84-F183 HydrophobicContact CD2-CD1 4.18Å; L84-F183 HydrophobicContact CD2-CD2 4.06Å; L84-F183 HydrophobicContact CD2-CG 3.72Å; L84-F183 HydrophobicContact CG-CD2 4.39Å |
| 85 | L | 98.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.4 | 166 | -76.9 | 61.4 | 0 | 0 | 0 | 108.9 | A52 W79 K82 I87 V106 Y107 L141 | A52-L85 HydrophobicContact CB-CG 4.16Å; A52-L85 WeakPolarHBondContact O-CA 3.37Å; W79-L85 HydrophobicContact CD2-CD2 3.8Å; W79-L85 HydrophobicContact CD2-CG 4.49Å; W79-L85 HydrophobicContact CE3-CD2 3.63Å; W79-L85 HydrophobicContact CG-CD2 4.29Å; W79-L85 HydrophobicContact CZ3-CD2 4Å; K82-L85 HydrophobicContact CB-CD1 3.65Å; K82-L85 HydrophobicContact CG-CD1 4.47Å; L85-I87 HydrophobicContact CB-CD1 4.04Å; L85-I87 HydrophobicContact CB-CG1 4.09Å; L85-I87 HydrophobicContact CD2-CD1 4.33Å; L85-V106 CarbonylContact O-C 3.6Å; L85-V106 VanDerWaalsContact O-CA 3.27Å; L85-V106 WeakPolarHBondContact O-CA 3.27Å; L85-Y107 HydrophobicContact CD1-CD1 4.3Å; L85-Y107 PolarHBondContact N-O 2.84Å; L85-Y107 VanDerWaalsContact N-O 3.07Å; L85-Y107 PolarHBondContact O-N 2.64Å; L85-L141 HydrophobicContact CD2-CD1 3.93Å; L85-L141 HydrophobicContact CD2-CD2 3.93Å |
| 86 | I | 98.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.4 | 178.1 | -64.3 | 176.3 | 0 | 0 | 0 | 107.5 | M36 I51 A52 F53 V54 L84 L104 A176 V179 A180 | M36-I86 HydrophobicContact SD-CG2 4.37Å; I51-I86 HydrophobicContact CG2-CD1 4.05Å; I51-I86 HydrophobicContact CG2-CG1 4.47Å; A52-I86 PolarHBondContact O-N 3.48Å; F53-I86 HydrophobicContact CD1-CB 4Å; F53-I86 HydrophobicContact CD1-CD1 4.05Å; F53-I86 HydrophobicContact CD1-CG2 4.03Å; F53-I86 HydrophobicContact CE1-CB 4.33Å; F53-I86 HydrophobicContact CE1-CD1 3.49Å; F53-I86 VanDerWaalsContact CE1-CD1 3.49Å; F53-I86 HydrophobicContact CE1-CG1 4.47Å; F53-I86 HydrophobicContact CE1-CG2 4.31Å; F53-I86 HydrophobicContact CZ-CD1 4.01Å; V54-I86 PolarHBondContact N-O 2.89Å; L84-I86 HydrophobicContact CD2-CD1 3.74Å; L84-I86 HydrophobicContact CD2-CG1 3.92Å; L84-I86 HydrophobicContact CG-CD1 4.47Å; L84-I86 HydrophobicContact CG-CG1 4.11Å; I86-L104 HydrophobicContact CG2-CD1 3.7Å; I86-L104 HydrophobicContact CG2-CD2 4.34Å; I86-L104 HydrophobicContact CG2-CG 4.47Å; I86-A176 HydrophobicContact CG2-CB 3.62Å; I86-V179 HydrophobicContact CD1-CG1 4.09Å; I86-V179 HydrophobicContact CG1-CG1 4.29Å; I86-A180 HydrophobicContact CD1-CB 3.92Å |
| 87 | I | 98.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 107.5 | -161.5 | -45.2 | 176.6 | 0 | 0 | 0 | 109.9 | V54 A59 L85 V89 L105 L133 L137 | V54-I87 HydrophobicContact CB-CB 4.33Å; V54-I87 HydrophobicContact CB-CG1 4.07Å; V54-I87 HydrophobicContact CB-CG2 4.1Å; V54-I87 HydrophobicContact CG1-CG2 4.12Å; V54-I87 HydrophobicContact CG2-CD1 4.47Å; V54-I87 HydrophobicContact CG2-CG1 3.76Å; A59-I87 HydrophobicContact CB-CG2 3.52Å; L85-I87 HydrophobicContact CB-CD1 4.04Å; L85-I87 HydrophobicContact CB-CG1 4.09Å; L85-I87 HydrophobicContact CD2-CD1 4.33Å; I87-V89 HydrophobicContact CG2-CG2 4.39Å; I87-V89 PolarHBondContact O-N 3.3Å; I87-L105 WeakPolarHBondContact CA-O 3.44Å; I87-L105 HydrophobicContact CB-CB 4.31Å; I87-L105 WeakPolarHBondContact CB-O 3.45Å; I87-L105 PolarHBondContact N-O 3.24Å; I87-L105 PolarHBondContact O-N 2.9Å; I87-L133 HydrophobicContact CG2-CD2 4.03Å; I87-L137 HydrophobicContact CD1-CD1 3.35Å; I87-L137 HydrophobicContact CD1-CD2 4.34Å; I87-L137 HydrophobicContact CD1-CG 4.5Å |
| 88 | P | 98.5 | Very high | 93 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 131.4 | 167.2 | -21.3 | 34.5 | 0 | 0 | 0 | 110.5 | L32 M36 V54 P56 A59 W102 V172 | L32-P88 HydrophobicContact CD1-CB 4.4Å; M36-P88 HydrophobicContact CE-CG 4.12Å; M36-P88 HydrophobicContact CG-CG 3.69Å; M36-P88 HydrophobicContact SD-CG 3.74Å; V54-P88 WeakPolarHBondContact O-CD 3.42Å; P56-P88 HydrophobicContact CB-CB 4.42Å; P56-P88 HydrophobicContact CG-CB 4.06Å; P56-P88 HydrophobicContact CG-CG 4.17Å; A59-P88 WeakPolarHBondContact CB-O 3.22Å; P88-W102 HydrophobicContact CB-CE3 4.49Å; P88-W102 HydrophobicContact CB-CZ3 4.44Å; P88-V172 HydrophobicContact CB-CG1 4.05Å; P88-V172 HydrophobicContact CG-CG1 4.26Å |
| 89 | V | 97.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.9 | -179.4 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | I87 W102 S103 L105 I130 L133 | I87-V89 HydrophobicContact CG2-CG2 4.39Å; I87-V89 PolarHBondContact O-N 3.3Å; V89-W102 WeakPolarHBondContact O-CA 3.46Å; V89-S103 PolarHBondContact N-O 2.83Å; V89-S103 PolarHBondContact O-N 3.29Å; V89-L105 HydrophobicContact CG2-CB 3.6Å; V89-L105 HydrophobicContact CG2-CD2 4.44Å; V89-I130 HydrophobicContact CB-CD1 3.85Å; V89-I130 HydrophobicContact CG1-CD1 3.88Å; V89-I130 HydrophobicContact CG1-CG1 4.38Å; V89-I130 HydrophobicContact CG2-CD1 3.76Å; V89-L133 HydrophobicContact CG1-CD2 4.46Å; V89-L133 HydrophobicContact CG2-CD2 3.63Å |
| 90 | N | 97.4 | Very high | 93.4 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 147.6 | 169.5 | -162.1 | -84.1 | 0 | 0 | 0 | 110.5 | K63 C92 G98 G99 H101 W102 S129 | K63-N90 PolarHBondContact NZ-O 2.71Å; N90-C92 PolarHBondContact O-N 3.17Å; N90-C92 VanDerWaalsContact OD1-CB 3.24Å; N90-C92 WeakPolarHBondContact OD1-CB 3.43Å; N90-C92 PolarHBondContact OD1-N 2.99Å; N90-G98 PolarHBondContact OD1-O 3.34Å; N90-G98 VanDerWaalsContact OD1-O 3.12Å; N90-G99 VanDerWaalsContact OD1-CA 3.26Å; N90-G99 WeakPolarHBondContact OD1-CA 3.5Å; N90-H101 WeakPolarHBondContact CA-O 3.47Å; N90-W102 HydrophobicContact CB-CD2 4.35Å; N90-W102 HydrophobicContact CB-CE3 3.76Å; N90-W102 HydrophobicContact CB-CH2 3.74Å; N90-W102 HydrophobicContact CB-CZ2 4.31Å; N90-W102 HydrophobicContact CB-CZ3 3.45Å; N90-W102 VanDerWaalsContact CB-CZ3 3.45Å; N90-W102 VanDerWaalsContact ND2-CE2 3.29Å; N90-W102 WeakPolarHBondContact ND2-CZ2 3.43Å; N90-S129 WeakPolarHBondContact O-CB 3.29Å; N90-S129 PolarHBondContact O-OG 3.28Å |
| 91 | D | 96.4 | Very high | 94 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | trans | -76.8 | 0.2 | 176.8 | 76.5 | -19.8 | 0 | 0 | 0 | 114.9 | M93 G99 G100 H101 L125 V126 S129 | D91-M93 PolarHBondContact O-N 3.2Å; D91-G99 WeakPolarHBondContact OD1-CA 3.49Å; D91-G100 PolarHBondContact OD1-N 2.88Å; D91-H101 HydrophobicContact CB-CB 4.45Å; D91-H101 PolarHBondContact N-O 3.11Å; D91-H101 VanDerWaalsContact N-O 3.12Å; D91-H101 PolarHBondContact OD1-N 3.46Å; D91-H101 VanDerWaalsContact OD1-N 3.14Å; D91-L125 HydrophobicContact CB-CB 3.94Å; D91-V126 HydrophobicContact CB-CG2 3.9Å; D91-S129 WeakPolarHBondContact CA-OG 3.43Å; D91-S129 PolarHBondContact O-OG 3.28Å | ||
| 92 | C | 96 | Very high | 94.5 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | trans | -57.6 | 122.9 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 113.2 | H60 K63 N90 S94 G97 G98 | H60-C92 PolarHBondContact CE1-O 3.26Å; K63-C92 VanDerWaalsContact CE-O 3.32Å; K63-C92 WeakPolarHBondContact CE-O 3.29Å; K63-C92 PolarHBondContact NZ-O 3.47Å; N90-C92 PolarHBondContact O-N 3.17Å; N90-C92 VanDerWaalsContact OD1-CB 3.24Å; N90-C92 WeakPolarHBondContact OD1-CB 3.43Å; N90-C92 PolarHBondContact OD1-N 2.99Å; C92-S94 PolarHBondContact SG-N 3.37Å; C92-S94 VanDerWaalsContact SG-N 3.44Å; C92-S94 PolarHBondContact SG-O 3.24Å; C92-G97 PolarHBondContact SG-O 3.07Å; C92-G97 VanDerWaalsContact SG-O 3.39Å; C92-G98 WeakPolarHBondContact CB-O 3.28Å | ||
| 93 | M | 93.9 | Very high | 94.6 | Very high | 78 Ų | 78 | 34.3 Ų | 34.3 | 38% | 0.384 | 23% | 0.227 | S | C | . | . | trans | -103.2 | 17.9 | 177 | -61.9 | -60.5 | -58.2 | 0 | 0 | 113.3 | D91 L125 K128 S129 L132 | D91-M93 PolarHBondContact O-N 3.2Å; M93-L125 HydrophobicContact CG-CD2 4.42Å; M93-K128 HydrophobicContact SD-CB 4.3Å; M93-S129 PolarHBondContact SD-OG 3.41Å; M93-L132 HydrophobicContact CE-CD2 4.1Å | ||
| 94 | S | 92.7 | Very high | 94.7 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 33% | 0.329 | 21% | 0.211 | S | C | . | . | trans | -115.4 | 141.3 | 179.4 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | H60 C92 E96 G97 | H60-S94 PolarHBondContact CE1-O 2.92Å; H60-S94 PolarHBondContact NE2-O 2.7Å; C92-S94 PolarHBondContact SG-N 3.37Å; C92-S94 VanDerWaalsContact SG-N 3.44Å; C92-S94 PolarHBondContact SG-O 3.24Å; S94-E96 PolarHBondContact O-N 3.4Å; S94-E96 PolarHBondContact OG-N 3.23Å; S94-G97 PolarHBondContact O-N 2.93Å | ||
| 95 | A | 86.7 | Confident | 94.7 | Very high | 78 Ų | 78 | 30.8 Ų | 30.8 | 65% | 0.645 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -23.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M64 G97 | M64-A95 HydrophobicContact CE-CB 4.23Å; A95-G97 PolarHBondContact O-N 3.2Å |
| 96 | E | 84.9 | Confident | 94.7 | Very high | 191 Ų | 191 | 30.8 Ų | 30.8 | 89% | 0.893 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6.3 | -179 | -60.8 | 179 | 173.3 | 0 | 0 | 113.5 | S94 | S94-E96 PolarHBondContact O-N 3.4Å; S94-E96 PolarHBondContact OG-N 3.23Å |
| 97 | G | 83.6 | Confident | 94.7 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | trans | 90.4 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C92 S94 A95 | C92-G97 PolarHBondContact SG-O 3.07Å; C92-G97 VanDerWaalsContact SG-O 3.39Å; S94-G97 PolarHBondContact O-N 2.93Å; A95-G97 PolarHBondContact O-N 3.2Å | ||
| 98 | G | 90.6 | Very high | 94.6 | Very high | 58 Ų | 58 | 32 Ų | 32 | 60% | 0.598 | 22% | 0.215 | S | C | * | . | trans | 116.8 | -140.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N90 C92 | N90-G98 PolarHBondContact OD1-O 3.34Å; N90-G98 VanDerWaalsContact OD1-O 3.12Å; C92-G98 WeakPolarHBondContact CB-O 3.28Å | ||
| 99 | G | 91.7 | Very high | 94.4 | Very high | 46 Ų | 46 | 35 Ų | 35 | 47% | 0.474 | 23% | 0.227 | S | C | . | . | trans | 82.3 | 167.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N90 D91 | N90-G99 VanDerWaalsContact OD1-CA 3.26Å; N90-G99 WeakPolarHBondContact OD1-CA 3.5Å; D91-G99 WeakPolarHBondContact OD1-CA 3.49Å | ||
| 100 | G | 93.6 | Very high | 94.2 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -134.1 | 0.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | W26 D91 | W26-G100 WeakPolarHBondContact CH2-O 3.35Å; D91-G100 PolarHBondContact OD1-N 2.88Å |
| 101 | H | 96.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | trans | -143.4 | 142.4 | 178.5 | -165.4 | 64.3 | 0 | 0 | 0 | 112.4 | N90 D91 D118 M120 V126 C168 | N90-H101 WeakPolarHBondContact CA-O 3.47Å; D91-H101 HydrophobicContact CB-CB 4.45Å; D91-H101 PolarHBondContact N-O 3.11Å; D91-H101 VanDerWaalsContact N-O 3.12Å; D91-H101 PolarHBondContact OD1-N 3.46Å; D91-H101 VanDerWaalsContact OD1-N 3.14Å; H101-D118 IonicContact CD2-OD1 3.72Å; H101-D118 IonicContact CD2-OD2 3.65Å; H101-D118 IonicContact CE1-OD1 3.92Å; H101-D118 IonicContact NE2-OD1 3.05Å; H101-D118 PolarHBondContact NE2-OD1 3.48Å; H101-D118 IonicContact NE2-OD2 3.77Å; H101-M120 PolarHBondContact CE1-SD 3.33Å; H101-V126 HydrophobicContact CB-CG2 4.25Å; H101-V126 VanDerWaalsContact CD2-CG2 3.5Å; H101-V126 WeakPolarHBondContact CD2-CG2 3.41Å; H101-C168 WeakPolarHBondContact CE1-CB 3.38Å | ||
| 102 | W | 97.9 | Very high | 93.9 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 10% | 0.095 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.7 | 175 | -69.4 | 110.8 | 0 | 0 | 0 | 110.2 | L27 D29 L32 P56 P88 V89 N90 C168 V172 | L27-W102 PolarHBondContact O-NE1 3.49Å; L27-W102 VanDerWaalsContact O-NE1 3.12Å; D29-W102 HydrophobicContact CB-CH2 4.17Å; D29-W102 HydrophobicContact CB-CZ2 4.23Å; L32-W102 HydrophobicContact CD1-CD2 3.35Å; L32-W102 VanDerWaalsContact CD1-CE2 3.49Å; L32-W102 HydrophobicContact CD1-CE3 3.59Å; L32-W102 HydrophobicContact CD1-CG 3.79Å; L32-W102 HydrophobicContact CD1-CH2 4.1Å; L32-W102 HydrophobicContact CD1-CZ2 3.9Å; L32-W102 HydrophobicContact CD1-CZ3 3.93Å; P56-W102 HydrophobicContact CB-CH2 3.86Å; P56-W102 HydrophobicContact CB-CZ3 3.95Å; P88-W102 HydrophobicContact CB-CE3 4.49Å; P88-W102 HydrophobicContact CB-CZ3 4.44Å; V89-W102 WeakPolarHBondContact O-CA 3.46Å; N90-W102 HydrophobicContact CB-CD2 4.35Å; N90-W102 HydrophobicContact CB-CE3 3.76Å; N90-W102 HydrophobicContact CB-CH2 3.74Å; N90-W102 HydrophobicContact CB-CZ2 4.31Å; N90-W102 HydrophobicContact CB-CZ3 3.45Å; N90-W102 VanDerWaalsContact CB-CZ3 3.45Å; N90-W102 VanDerWaalsContact ND2-CE2 3.29Å; N90-W102 WeakPolarHBondContact ND2-CZ2 3.43Å; W102-C168 HydrophobicContact CB-CB 4.37Å; W102-V172 HydrophobicContact CB-CG2 3.93Å |
| 103 | S | 98.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 169.7 | 169.2 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | V89 V172 | V89-S103 PolarHBondContact N-O 2.83Å; V89-S103 PolarHBondContact O-N 3.29Å; S103-V172 VanDerWaalsContact C-CG2 3.48Å |
| 104 | L | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.7 | 177 | -175.2 | 76 | 0 | 0 | 0 | 110.4 | I86 V106 C116 Y117 V172 F175 A176 | I86-L104 HydrophobicContact CG2-CD1 3.7Å; I86-L104 HydrophobicContact CG2-CD2 4.34Å; I86-L104 HydrophobicContact CG2-CG 4.47Å; L104-V106 HydrophobicContact CD2-CG2 3.9Å; L104-V106 HydrophobicContact CG-CG2 4.09Å; L104-C116 WeakPolarHBondContact O-CA 3.37Å; L104-Y117 HydrophobicContact CD2-CD2 4.33Å; L104-Y117 PolarHBondContact N-O 2.72Å; L104-Y117 PolarHBondContact O-N 3.31Å; L104-V172 HydrophobicContact CB-CG1 4.43Å; L104-V172 HydrophobicContact CB-CG2 4.37Å; L104-V172 HydrophobicContact CD1-CG1 4.02Å; L104-F175 HydrophobicContact CD2-CB 3.73Å; L104-A176 HydrophobicContact CD1-CB 4.25Å; L104-A176 HydrophobicContact CD2-CB 4.22Å |
| 105 | L | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.7 | 169.3 | -177.2 | 64.4 | 0 | 0 | 0 | 109.2 | I87 V89 F114 I130 L133 T134 L137 L154 | I87-L105 WeakPolarHBondContact CA-O 3.44Å; I87-L105 HydrophobicContact CB-CB 4.31Å; I87-L105 WeakPolarHBondContact CB-O 3.45Å; I87-L105 PolarHBondContact N-O 3.24Å; I87-L105 PolarHBondContact O-N 2.9Å; V89-L105 HydrophobicContact CG2-CB 3.6Å; V89-L105 HydrophobicContact CG2-CD2 4.44Å; L105-F114 HydrophobicContact CD1-CB 3.94Å; L105-F114 HydrophobicContact CD1-CD1 4.04Å; L105-F114 HydrophobicContact CD1-CG 4.4Å; L105-F114 HydrophobicContact CD2-CD1 4.16Å; L105-F114 HydrophobicContact CG-CD1 4.12Å; L105-I130 HydrophobicContact CB-CD1 3.87Å; L105-I130 HydrophobicContact CD1-CD1 4.2Å; L105-I130 HydrophobicContact CD1-CG2 4.03Å; L105-I130 HydrophobicContact CG-CD1 4.44Å; L105-L133 HydrophobicContact CD2-CB 4.44Å; L105-L133 HydrophobicContact CD2-CD2 3.94Å; L105-L133 HydrophobicContact CD2-CG 4.05Å; L105-T134 HydrophobicContact CD1-CG2 3.81Å; L105-T134 HydrophobicContact CD2-CG2 3.8Å; L105-T134 HydrophobicContact CG-CG2 4.43Å; L105-L137 HydrophobicContact CD2-CD1 3.98Å; L105-L154 HydrophobicContact CD1-CD1 4.07Å |
| 106 | V | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.7 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | L84 L85 L104 R108 F114 E115 Y117 V179 | L84-V106 HydrophobicContact CD1-CG1 3.55Å; L84-V106 HydrophobicContact CG-CG1 4.37Å; L85-V106 CarbonylContact O-C 3.6Å; L85-V106 VanDerWaalsContact O-CA 3.27Å; L85-V106 WeakPolarHBondContact O-CA 3.27Å; L104-V106 HydrophobicContact CD2-CG2 3.9Å; L104-V106 HydrophobicContact CG-CG2 4.09Å; V106-R108 HydrophobicContact CG1-CG 4.39Å; V106-F114 CarbonylContact O-C 3.58Å; V106-F114 WeakPolarHBondContact O-CA 3.45Å; V106-E115 HydrophobicContact CB-CB 4.25Å; V106-E115 PolarHBondContact N-O 3.32Å; V106-E115 PolarHBondContact O-N 3.28Å; V106-Y117 HydrophobicContact CB-CE2 4.05Å; V106-Y117 HydrophobicContact CG2-CD2 3.97Å; V106-Y117 HydrophobicContact CG2-CE2 3.67Å; V106-V179 HydrophobicContact CG1-CG1 3.89Å; V106-V179 HydrophobicContact CG2-CG1 3.98Å; V106-V179 HydrophobicContact CG2-CG2 4.27Å |
| 107 | Y | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.1 | 170.8 | 174 | -106 | 0 | 0 | 0 | 110 | L84 L85 R109 K113 F114 L141 | L84-Y107 WeakPolarHBondContact CA-O 3.47Å; L85-Y107 HydrophobicContact CD1-CD1 4.3Å; L85-Y107 PolarHBondContact N-O 2.84Å; L85-Y107 VanDerWaalsContact N-O 3.07Å; L85-Y107 PolarHBondContact O-N 2.64Å; Y107-R109 HydrophobicContact CE1-CB 3.83Å; Y107-R109 HydrophobicContact CE1-CG 4.3Å; Y107-K113 WeakPolarHBondContact CD2-O 3.42Å; Y107-F114 AromaticContact CD2-CD1 3.9Å; Y107-F114 HydrophobicContact CD2-CD1 3.9Å; Y107-F114 HydrophobicContact CD2-CD2 4.09Å; Y107-F114 AromaticContact CD2-CE1 3.58Å; Y107-F114 HydrophobicContact CD2-CE1 3.58Å; Y107-F114 AromaticContact CD2-CE2 3.76Å; Y107-F114 HydrophobicContact CD2-CE2 3.76Å; Y107-F114 HydrophobicContact CD2-CG 4.16Å; Y107-F114 AromaticContact CD2-CZ 3.5Å; Y107-F114 HydrophobicContact CD2-CZ 3.5Å; Y107-F114 HydrophobicContact CE2-CE2 4.1Å; Y107-F114 HydrophobicContact CE2-CZ 4.06Å; Y107-F114 HydrophobicContact CG-CD1 4.3Å; Y107-F114 AromaticContact CG-CE1 3.92Å; Y107-F114 HydrophobicContact CG-CE1 3.92Å; Y107-F114 HydrophobicContact CG-CZ 4.2Å; Y107-L141 HydrophobicContact CD1-CD1 3.62Å; Y107-L141 HydrophobicContact CD2-CD1 4.38Å; Y107-L141 HydrophobicContact CE1-CB 4.26Å; Y107-L141 HydrophobicContact CE1-CD1 3.76Å; Y107-L141 HydrophobicContact CE1-CG 4.5Å; Y107-L141 HydrophobicContact CG-CD1 3.93Å |
| 108 | R | 96.9 | Very high | 96.1 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 107.9 | 175 | -65.9 | -173.2 | -177.5 | -98.9 | 6.5 | 109.4 | L84 V106 S110 E111 K112 K113 E115 D182 | L84-R108 HydrophobicContact CD1-CG 3.87Å; V106-R108 HydrophobicContact CG1-CG 4.39Å; R108-S110 PolarHBondContact O-N 3.36Å; R108-E111 WeakPolarHBondContact CD-OE1 3.29Å; R108-E111 PolarHBondContact O-N 3.15Å; R108-K112 PolarHBondContact O-N 2.86Å; R108-K113 HydrophobicContact CB-CG 4.48Å; R108-K113 PolarHBondContact N-O 2.9Å; R108-K113 PolarHBondContact O-N 2.75Å; R108-E115 WeakPolarHBondContact CD-OE1 3.13Å; R108-E115 IonicContact CZ-OE2 3.16Å; R108-E115 IonicContact NE-OE1 3.64Å; R108-E115 PolarHBondContact NE-OE1 2.85Å; R108-E115 IonicContact NE-OE2 3.01Å; R108-E115 PolarHBondContact NE-OE2 3.42Å; R108-E115 IonicContact NH2-OE2 3.8Å; R108-D182 IonicContact CZ-OD2 3.44Å; R108-D182 IonicContact NH1-OD2 3.52Å; R108-D182 IonicContact NH2-OD2 2.81Å; R108-D182 PolarHBondContact NH2-OD2 2.9Å |
| 109 | R | 94.5 | Very high | 96.5 | Very high | 64 Ų | 64 | 27.1 Ų | 27.1 | 24% | 0.242 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -37.5 | -173.7 | -176.5 | 175.3 | -71.1 | -81.3 | 2.9 | 113.1 | W79 N80 K82 E83 Y107 E111 K112 L141 | W79-R109 PolarHBondContact O-NH2 2.81Å; N80-R109 PolarHBondContact O-NH2 3.11Å; K82-R109 WeakPolarHBondContact O-CD 3.48Å; K82-R109 PolarHBondContact O-NE 2.89Å; E83-R109 WeakPolarHBondContact O-CB 3.36Å; E83-R109 PolarHBondContact O-N 3.08Å; Y107-R109 HydrophobicContact CE1-CB 3.83Å; Y107-R109 HydrophobicContact CE1-CG 4.3Å; R109-E111 PolarHBondContact O-N 3.38Å; R109-K112 PolarHBondContact O-N 2.83Å; R109-L141 PolarHBondContact NH1-O 2.75Å |
| 110 | S | 93.8 | Very high | 96.6 | Very high | 110 Ų | 110 | 28.2 Ų | 28.2 | 77% | 0.769 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -31.4 | 179.9 | 51 | 0 | 0 | 0 | 0 | 113.2 | R108 | R108-S110 PolarHBondContact O-N 3.36Š|
| 111 | E | 93.9 | Very high | 96.5 | Very high | 97 Ų | 97 | 31.8 Ų | 31.8 | 45% | 0.453 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -7 | -177.6 | -66.3 | 171.4 | -105 | 0 | 0 | 112.5 | R108 R109 K113 | R108-E111 WeakPolarHBondContact CD-OE1 3.29Å; R108-E111 PolarHBondContact O-N 3.15Å; R109-E111 PolarHBondContact O-N 3.38Å; E111-K113 HydrophobicContact CB-CB 4.36Å; E111-K113 HydrophobicContact CB-CD 3.87Å; E111-K113 HydrophobicContact CB-CG 3.79Å; E111-K113 PolarHBondContact O-N 3.09Å; E111-K113 IonicContact OE1-NZ 3.81Å; E111-K113 WeakPolarHBondContact OE2-CD 3.5Å; E111-K113 WeakPolarHBondContact OE2-CE 3.44Å; E111-K113 IonicContact OE2-NZ 2.77Å; E111-K113 PolarHBondContact OE2-NZ 2.82Å |
| 112 | K | 92.8 | Very high | 96.1 | Very high | 116 Ų | 116 | 34.7 Ų | 34.7 | 50% | 0.504 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 42 | -172.4 | -61.4 | -178.5 | 160.6 | -146 | 0 | 112.8 | R108 R109 E142 | R108-K112 PolarHBondContact O-N 2.86Å; R109-K112 PolarHBondContact O-N 2.83Å; K112-E142 WeakPolarHBondContact CD-OE2 3.44Å; K112-E142 IonicContact NZ-OE2 2.79Å; K112-E142 PolarHBondContact NZ-OE2 3.15Å |
| 113 | K | 95.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.3 | -176.4 | 79.3 | 180 | -169.4 | -179.2 | 0 | 111.8 | Y107 R108 E111 E115 I153 D155 | Y107-K113 WeakPolarHBondContact CD2-O 3.42Å; R108-K113 HydrophobicContact CB-CG 4.48Å; R108-K113 PolarHBondContact N-O 2.9Å; R108-K113 PolarHBondContact O-N 2.75Å; E111-K113 HydrophobicContact CB-CB 4.36Å; E111-K113 HydrophobicContact CB-CD 3.87Å; E111-K113 HydrophobicContact CB-CG 3.79Å; E111-K113 PolarHBondContact O-N 3.09Å; E111-K113 IonicContact OE1-NZ 3.81Å; E111-K113 WeakPolarHBondContact OE2-CD 3.5Å; E111-K113 WeakPolarHBondContact OE2-CE 3.44Å; E111-K113 IonicContact OE2-NZ 2.77Å; E111-K113 PolarHBondContact OE2-NZ 2.82Å; K113-E115 WeakPolarHBondContact CE-OE1 3.34Å; K113-E115 IonicContact NZ-OE1 3.05Å; K113-E115 PolarHBondContact NZ-OE1 2.96Å; K113-E115 VanDerWaalsContact NZ-OE1 3.16Å; K113-I153 HydrophobicContact CB-CB 4.06Å; K113-I153 HydrophobicContact CB-CG2 3.9Å; K113-D155 IonicContact NZ-OD2 3.55Å |
| 114 | F | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 147 | 169.8 | -64.2 | -90.9 | 0 | 0 | 0 | 110.6 | L105 V106 Y107 T134 L137 T138 P152 I153 L154 D155 | L105-F114 HydrophobicContact CD1-CB 3.94Å; L105-F114 HydrophobicContact CD1-CD1 4.04Å; L105-F114 HydrophobicContact CD1-CG 4.4Å; L105-F114 HydrophobicContact CD2-CD1 4.16Å; L105-F114 HydrophobicContact CG-CD1 4.12Å; V106-F114 CarbonylContact O-C 3.58Å; V106-F114 WeakPolarHBondContact O-CA 3.45Å; Y107-F114 AromaticContact CD2-CD1 3.9Å; Y107-F114 HydrophobicContact CD2-CD1 3.9Å; Y107-F114 HydrophobicContact CD2-CD2 4.09Å; Y107-F114 AromaticContact CD2-CE1 3.58Å; Y107-F114 HydrophobicContact CD2-CE1 3.58Å; Y107-F114 AromaticContact CD2-CE2 3.76Å; Y107-F114 HydrophobicContact CD2-CE2 3.76Å; Y107-F114 HydrophobicContact CD2-CG 4.16Å; Y107-F114 AromaticContact CD2-CZ 3.5Å; Y107-F114 HydrophobicContact CD2-CZ 3.5Å; Y107-F114 HydrophobicContact CE2-CE2 4.1Å; Y107-F114 HydrophobicContact CE2-CZ 4.06Å; Y107-F114 HydrophobicContact CG-CD1 4.3Å; Y107-F114 AromaticContact CG-CE1 3.92Å; Y107-F114 HydrophobicContact CG-CE1 3.92Å; Y107-F114 HydrophobicContact CG-CZ 4.2Å; F114-T134 HydrophobicContact CB-CG2 3.89Å; F114-T134 HydrophobicContact CD1-CG2 3.77Å; F114-T134 HydrophobicContact CD2-CG2 4.02Å; F114-T134 HydrophobicContact CE1-CG2 4.28Å; F114-T134 HydrophobicContact CG-CG2 3.61Å; F114-L137 HydrophobicContact CE1-CB 3.87Å; F114-L137 HydrophobicContact CE1-CD1 3.81Å; F114-L137 HydrophobicContact CZ-CB 3.78Å; F114-T138 WeakPolarHBondContact CE2-OG1 3.34Å; F114-P152 HydrophobicContact CD2-CB 3.89Å; F114-P152 HydrophobicContact CD2-CG 4.44Å; F114-P152 HydrophobicContact CE2-CB 3.79Å; F114-P152 HydrophobicContact CE2-CG 4.34Å; F114-I153 PolarHBondContact N-O 2.92Å; F114-L154 HydrophobicContact CB-CD1 3.73Å; F114-L154 WeakPolarHBondContact O-CA 3.49Å; F114-D155 PolarHBondContact O-N 3.44Å |
| 115 | E | 97.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.8 | 176.1 | -64.1 | 177.4 | 168.5 | 0 | 0 | 108 | V106 R108 K113 Y117 D155 L157 | V106-E115 HydrophobicContact CB-CB 4.25Å; V106-E115 PolarHBondContact N-O 3.32Å; V106-E115 PolarHBondContact O-N 3.28Å; R108-E115 WeakPolarHBondContact CD-OE1 3.13Å; R108-E115 IonicContact CZ-OE2 3.16Å; R108-E115 IonicContact NE-OE1 3.64Å; R108-E115 PolarHBondContact NE-OE1 2.85Å; R108-E115 IonicContact NE-OE2 3.01Å; R108-E115 PolarHBondContact NE-OE2 3.42Å; R108-E115 IonicContact NH2-OE2 3.8Å; K113-E115 WeakPolarHBondContact CE-OE1 3.34Å; K113-E115 IonicContact NZ-OE1 3.05Å; K113-E115 PolarHBondContact NZ-OE1 2.96Å; K113-E115 VanDerWaalsContact NZ-OE1 3.16Å; E115-Y117 HydrophobicContact CB-CD2 4.44Å; E115-Y117 HydrophobicContact CB-CE2 3.6Å; E115-Y117 PolarHBondContact OE2-OH 3.04Å; E115-D155 CarbonylContact C-O 3.45Å; E115-D155 WeakPolarHBondContact CA-O 3.24Å; E115-L157 HydrophobicContact CB-CD2 3.53Å; E115-L157 HydrophobicContact CB-CG 4.42Å; E115-L157 HydrophobicContact CG-CD2 3.84Å |
| 116 | C | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.8 | 175 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | L104 M122 I130 L154 D155 L157 | L104-C116 WeakPolarHBondContact O-CA 3.37Å; C116-M122 HydrophobicContact CB-CE 4.17Å; C116-M122 WeakPolarHBondContact SG-CE 3.28Å; C116-I130 HydrophobicContact CB-CG2 4.47Å; C116-L154 HydrophobicContact CB-CD1 4.12Å; C116-D155 PolarHBondContact N-O 2.9Å; C116-L157 PolarHBondContact O-N 2.94Å |
| 117 | Y | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.1 | 174.4 | -55.7 | -103.2 | 0 | 0 | 0 | 108 | L104 V106 E115 L157 V179 F190 L194 | L104-Y117 HydrophobicContact CD2-CD2 4.33Å; L104-Y117 PolarHBondContact N-O 2.72Å; L104-Y117 PolarHBondContact O-N 3.31Å; V106-Y117 HydrophobicContact CB-CE2 4.05Å; V106-Y117 HydrophobicContact CG2-CD2 3.97Å; V106-Y117 HydrophobicContact CG2-CE2 3.67Å; E115-Y117 HydrophobicContact CB-CD2 4.44Å; E115-Y117 HydrophobicContact CB-CE2 3.6Å; E115-Y117 PolarHBondContact OE2-OH 3.04Å; Y117-L157 HydrophobicContact CD1-CB 3.97Å; Y117-L157 HydrophobicContact CD1-CG 4.4Å; Y117-L157 HydrophobicContact CE1-CB 3.89Å; Y117-L157 HydrophobicContact CE1-CG 3.87Å; Y117-L157 HydrophobicContact CE2-CG 4.47Å; Y117-V179 HydrophobicContact CE1-CG2 4.1Å; Y117-V179 HydrophobicContact CE2-CG2 3.97Å; Y117-F190 AromaticContact CE1-CZ 3.87Å; Y117-F190 HydrophobicContact CE1-CZ 3.87Å; Y117-L194 HydrophobicContact CD1-CD1 3.89Å; Y117-L194 HydrophobicContact CD1-CD2 3.91Å; Y117-L194 HydrophobicContact CE1-CD1 4.25Å; Y117-L194 HydrophobicContact CE1-CD2 3.71Å |
| 118 | D | 97.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | trans | -133 | 125.7 | -177.8 | -165.9 | -10.4 | 0 | 0 | 0 | 110.3 | H101 M120 C159 Q161 | H101-D118 IonicContact CD2-OD1 3.72Å; H101-D118 IonicContact CD2-OD2 3.65Å; H101-D118 IonicContact CE1-OD1 3.92Å; H101-D118 IonicContact NE2-OD1 3.05Å; H101-D118 PolarHBondContact NE2-OD1 3.48Å; H101-D118 IonicContact NE2-OD2 3.77Å; D118-M120 WeakPolarHBondContact CB-O 3.42Å; D118-M120 PolarHBondContact O-N 3.25Å; D118-M120 PolarHBondContact OD1-N 3.33Å; D118-C159 PolarHBondContact O-SG 2.75Å; D118-Q161 PolarHBondContact O-NE2 3.29Å | ||
| 119 | S | 97.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -76.8 | -3.1 | 176.9 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | Q161 Q162 | S119-Q161 CarbonylContact O-C 3.58Å; S119-Q161 VanDerWaalsContact O-CA 3.24Å; S119-Q161 WeakPolarHBondContact O-CA 3.42Å; S119-Q161 PolarHBondContact O-OE1 2.77Å; S119-Q162 WeakPolarHBondContact O-CG 3.39Å; S119-Q162 PolarHBondContact O-N 3.28Å; S119-Q162 PolarHBondContact OG-OE1 3.02Å |
| 120 | M | 95.3 | Very high | 94.5 | Very high | 70 Ų | 70 | 52 Ų | 52 | 35% | 0.345 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -122.4 | 156.9 | 167.5 | -70.3 | -176.2 | 69.4 | 0 | 0 | 110.7 | H101 D118 M122 Q161 Q162 | H101-M120 PolarHBondContact CE1-SD 3.33Å; D118-M120 WeakPolarHBondContact CB-O 3.42Å; D118-M120 PolarHBondContact O-N 3.25Å; D118-M120 PolarHBondContact OD1-N 3.33Å; M120-M122 PolarHBondContact O-N 3.04Å; M120-M122 VanDerWaalsContact O-N 3.16Å; M120-Q161 VanDerWaalsContact CA-OE1 3.31Å; M120-Q162 VanDerWaalsContact CG-CD 3.44Å; M120-Q162 HydrophobicContact CG-CG 3.61Å; M120-Q162 HydrophobicContact SD-CG 4.36Å; M120-Q162 PolarHBondContact SD-NE2 3.17Å |
| 121 | P | 91.1 | Very high | 94.6 | Very high | 104 Ų | 104 | 50.1 Ų | 50.1 | 68% | 0.675 | 24% | 0.243 | S | C | * | . | trans | -54.9 | 125.7 | 168.5 | -25.6 | 35.4 | 0 | 0 | 0 | 110.1 | N123 Q161 | P121-N123 PolarHBondContact O-N 3.4Å; P121-Q161 VanDerWaalsContact CD-OE1 3.28Å; P121-Q161 VanDerWaalsContact N-OE1 3.15Å | ||
| 122 | M | 87.1 | Confident | 94.6 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | trans | -48.4 | 113.7 | -175.8 | -176.8 | 79.6 | 67.3 | 0 | 0 | 111 | C116 M120 V126 V156 | C116-M122 HydrophobicContact CB-CE 4.17Å; C116-M122 WeakPolarHBondContact SG-CE 3.28Å; M120-M122 PolarHBondContact O-N 3.04Å; M120-M122 VanDerWaalsContact O-N 3.16Å; M122-V126 HydrophobicContact SD-CB 3.97Å; M122-V126 HydrophobicContact SD-CG1 3.58Å; M122-V126 VanDerWaalsContact SD-CG1 3.58Å; M122-V156 HydrophobicContact CE-CB 4.42Å; M122-V156 HydrophobicContact CE-CG1 3.78Å; M122-V156 HydrophobicContact CE-CG2 3.7Å | ||
| 123 | N | 89.4 | Confident | 94.7 | Very high | 60 Ų | 60 | 42.7 Ų | 42.7 | 32% | 0.321 | 21% | 0.211 | S | C | . | . | trans | -92.7 | 170.5 | 176.3 | 79.5 | 44 | 0 | 0 | 0 | 111.3 | P121 L125 V126 G127 | P121-N123 PolarHBondContact O-N 3.4Å; N123-L125 VanDerWaalsContact C-N 3.32Å; N123-L125 PolarHBondContact O-N 3.38Å; N123-L125 WeakPolarHBondContact OD1-CA 3.35Å; N123-L125 WeakPolarHBondContact OD1-CB 3.24Å; N123-L125 PolarHBondContact OD1-N 3.39Å; N123-V126 PolarHBondContact O-N 3.28Å; N123-V126 WeakPolarHBondContact OD1-CG2 3.39Å; N123-V126 PolarHBondContact OD1-N 2.91Å; N123-G127 PolarHBondContact O-N 2.9Å | ||
| 124 | R | 90.7 | Very high | 94.7 | Very high | 205 Ų | 205 | 41.3 Ų | 41.3 | 77% | 0.774 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60.2 | -37.2 | -177.1 | -176.1 | -179.7 | 179.2 | -174.4 | 0.8 | 113.6 | K128 | R124-K128 WeakPolarHBondContact O-CB 3.47Å; R124-K128 PolarHBondContact O-N 3.01Å |
| 125 | L | 93.7 | Very high | 94.4 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 45% | 0.45 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -75 | -44.1 | -177 | -66.7 | 177.4 | 0 | 0 | 0 | 111.4 | D91 M93 N123 K128 S129 | D91-L125 HydrophobicContact CB-CB 3.94Å; M93-L125 HydrophobicContact CG-CD2 4.42Å; N123-L125 VanDerWaalsContact C-N 3.32Å; N123-L125 PolarHBondContact O-N 3.38Å; N123-L125 WeakPolarHBondContact OD1-CA 3.35Å; N123-L125 WeakPolarHBondContact OD1-CB 3.24Å; N123-L125 PolarHBondContact OD1-N 3.39Å; L125-K128 PolarHBondContact O-N 3.35Å; L125-S129 PolarHBondContact O-N 2.8Å; L125-S129 PolarHBondContact O-OG 3.22Å |
| 126 | V | 93 | Very high | 94.1 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -50.3 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | D91 H101 M122 N123 K128 S129 I130 | D91-V126 HydrophobicContact CB-CG2 3.9Å; H101-V126 HydrophobicContact CB-CG2 4.25Å; H101-V126 VanDerWaalsContact CD2-CG2 3.5Å; H101-V126 WeakPolarHBondContact CD2-CG2 3.41Å; M122-V126 HydrophobicContact SD-CB 3.97Å; M122-V126 HydrophobicContact SD-CG1 3.58Å; M122-V126 VanDerWaalsContact SD-CG1 3.58Å; N123-V126 PolarHBondContact O-N 3.28Å; N123-V126 WeakPolarHBondContact OD1-CG2 3.39Å; N123-V126 PolarHBondContact OD1-N 2.91Å; V126-K128 VanDerWaalsContact C-N 3.29Å; V126-K128 PolarHBondContact O-N 2.87Å; V126-S129 PolarHBondContact O-N 3.39Å; V126-I130 HydrophobicContact CG1-CG1 4.13Å; V126-I130 WeakPolarHBondContact O-CG1 3.38Å; V126-I130 PolarHBondContact O-N 3.01Å |
| 127 | G | 94.5 | Very high | 93.8 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N123 N131 | N123-G127 PolarHBondContact O-N 2.9Å; G127-N131 WeakPolarHBondContact O-CB 3.18Å; G127-N131 PolarHBondContact O-N 3.14Å; G127-N131 PolarHBondContact O-ND2 3.01Å |
| 128 | K | 95.2 | Very high | 93.4 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 173.7 | -103.1 | -172.9 | 171.3 | -171.6 | 0 | 112.7 | M93 R124 L125 V126 L132 | M93-K128 HydrophobicContact SD-CB 4.3Å; R124-K128 WeakPolarHBondContact O-CB 3.47Å; R124-K128 PolarHBondContact O-N 3.01Å; L125-K128 PolarHBondContact O-N 3.35Å; V126-K128 VanDerWaalsContact C-N 3.29Å; V126-K128 PolarHBondContact O-N 2.87Å; K128-L132 VanDerWaalsContact O-CB 3.28Å; K128-L132 WeakPolarHBondContact O-CB 3.46Å; K128-L132 PolarHBondContact O-N 2.94Å |
| 129 | S | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | -178 | -77 | 0 | 0 | 0 | 0 | 111.7 | K63 N90 D91 M93 L125 V126 L132 L133 | K63-S129 PolarHBondContact NZ-OG 3.05Å; K63-S129 VanDerWaalsContact NZ-OG 3.11Å; N90-S129 WeakPolarHBondContact O-CB 3.29Å; N90-S129 PolarHBondContact O-OG 3.28Å; D91-S129 WeakPolarHBondContact CA-OG 3.43Å; D91-S129 PolarHBondContact O-OG 3.28Å; M93-S129 PolarHBondContact SD-OG 3.41Å; L125-S129 PolarHBondContact O-N 2.8Å; L125-S129 PolarHBondContact O-OG 3.22Å; V126-S129 PolarHBondContact O-N 3.39Å; S129-L132 PolarHBondContact O-N 3.31Å; S129-L133 WeakPolarHBondContact O-CB 3.17Å; S129-L133 PolarHBondContact O-N 3.47Å |
| 130 | I | 96.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -53.3 | 176.2 | -67 | -73.3 | 0 | 0 | 0 | 110.3 | V89 L105 C116 V126 L132 L133 T134 L154 | V89-I130 HydrophobicContact CB-CD1 3.85Å; V89-I130 HydrophobicContact CG1-CD1 3.88Å; V89-I130 HydrophobicContact CG1-CG1 4.38Å; V89-I130 HydrophobicContact CG2-CD1 3.76Å; L105-I130 HydrophobicContact CB-CD1 3.87Å; L105-I130 HydrophobicContact CD1-CD1 4.2Å; L105-I130 HydrophobicContact CD1-CG2 4.03Å; L105-I130 HydrophobicContact CG-CD1 4.44Å; C116-I130 HydrophobicContact CB-CG2 4.47Å; V126-I130 HydrophobicContact CG1-CG1 4.13Å; V126-I130 WeakPolarHBondContact O-CG1 3.38Å; V126-I130 PolarHBondContact O-N 3.01Å; I130-L132 VanDerWaalsContact C-N 3.29Å; I130-L132 PolarHBondContact O-N 3.41Å; I130-L133 PolarHBondContact O-N 2.97Å; I130-L133 VanDerWaalsContact O-N 3.16Å; I130-T134 HydrophobicContact CG2-CG2 4.16Å; I130-T134 WeakPolarHBondContact O-CG2 3.42Å; I130-T134 PolarHBondContact O-N 2.83Å; I130-T134 PolarHBondContact O-OG1 3.45Å; I130-L154 HydrophobicContact CG2-CD1 3.91Å; I130-L154 HydrophobicContact CG2-CD2 3.55Å; I130-L154 HydrophobicContact CG2-CG 4.39Å |
| 131 | N | 94.6 | Very high | 92.1 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -37.3 | -179.8 | -81.7 | -70.4 | 0 | 0 | 0 | 113.1 | G127 T134 R135 | G127-N131 WeakPolarHBondContact O-CB 3.18Å; G127-N131 PolarHBondContact O-N 3.14Å; G127-N131 PolarHBondContact O-ND2 3.01Å; N131-T134 WeakPolarHBondContact CA-OG1 3.05Å; N131-T134 PolarHBondContact O-OG1 3.11Å; N131-R135 VanDerWaalsContact O-CG 3.28Å; N131-R135 WeakPolarHBondContact O-CG 3.41Å; N131-R135 PolarHBondContact O-N 2.94Å |
| 132 | L | 94.1 | Very high | 91.7 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 29% | 0.293 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.7 | -49 | 176.1 | -179.2 | 57.7 | 0 | 0 | 0 | 110.3 | K63 M93 K128 S129 I130 R135 K136 | K63-L132 HydrophobicContact CG-CB 4.32Å; K63-L132 HydrophobicContact CG-CD2 3.76Å; K63-L132 HydrophobicContact CG-CG 3.99Å; K63-L132 WeakPolarHBondContact O-CD2 3.42Å; M93-L132 HydrophobicContact CE-CD2 4.1Å; K128-L132 VanDerWaalsContact O-CB 3.28Å; K128-L132 WeakPolarHBondContact O-CB 3.46Å; K128-L132 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 3.31Å; I130-L132 VanDerWaalsContact C-N 3.29Å; I130-L132 PolarHBondContact O-N 3.41Å; L132-R135 PolarHBondContact O-N 3.44Å; L132-K136 VanDerWaalsContact O-CG 3.26Å; L132-K136 WeakPolarHBondContact O-CG 3.29Å; L132-K136 PolarHBondContact O-N 2.87Å; L132-K136 VanDerWaalsContact O-N 3.12Å |
| 133 | L | 95 | Very high | 91.1 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | -178.3 | -177.9 | 57.9 | 0 | 0 | 0 | 112.3 | A59 L62 K63 I87 V89 L105 S129 I130 R135 K136 L137 | A59-L133 HydrophobicContact CB-CD2 4.45Å; L62-L133 HydrophobicContact CB-CD1 3.93Å; K63-L133 HydrophobicContact CB-CB 4.4Å; K63-L133 HydrophobicContact CB-CD1 4.21Å; K63-L133 HydrophobicContact CG-CB 4.42Å; I87-L133 HydrophobicContact CG2-CD2 4.03Å; V89-L133 HydrophobicContact CG1-CD2 4.46Å; V89-L133 HydrophobicContact CG2-CD2 3.63Å; L105-L133 HydrophobicContact CD2-CB 4.44Å; L105-L133 HydrophobicContact CD2-CD2 3.94Å; L105-L133 HydrophobicContact CD2-CG 4.05Å; S129-L133 WeakPolarHBondContact O-CB 3.17Å; S129-L133 PolarHBondContact O-N 3.47Å; I130-L133 PolarHBondContact O-N 2.97Å; I130-L133 VanDerWaalsContact O-N 3.16Å; L133-R135 PolarHBondContact O-N 2.77Å; L133-K136 PolarHBondContact O-N 2.98Å; L133-K136 VanDerWaalsContact O-N 3.15Å; L133-L137 HydrophobicContact CD1-CD1 4.04Å; L133-L137 HydrophobicContact CD1-CG 3.97Å; L133-L137 HydrophobicContact CD2-CD1 4.44Å; L133-L137 HydrophobicContact CG-CD1 3.78Å; L133-L137 HydrophobicContact CG-CG 4.2Å; L133-L137 WeakPolarHBondContact O-CB 3.48Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 3.47Å |
| 134 | T | 95 | Very high | 90.2 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 176.3 | 54.8 | 0 | 0 | 0 | 0 | 111 | L105 F114 I130 N131 K136 L137 T138 L154 | L105-T134 HydrophobicContact CD1-CG2 3.81Å; L105-T134 HydrophobicContact CD2-CG2 3.8Å; L105-T134 HydrophobicContact CG-CG2 4.43Å; F114-T134 HydrophobicContact CB-CG2 3.89Å; F114-T134 HydrophobicContact CD1-CG2 3.77Å; F114-T134 HydrophobicContact CD2-CG2 4.02Å; F114-T134 HydrophobicContact CE1-CG2 4.28Å; F114-T134 HydrophobicContact CG-CG2 3.61Å; I130-T134 HydrophobicContact CG2-CG2 4.16Å; I130-T134 WeakPolarHBondContact O-CG2 3.42Å; I130-T134 PolarHBondContact O-N 2.83Å; I130-T134 PolarHBondContact O-OG1 3.45Å; N131-T134 WeakPolarHBondContact CA-OG1 3.05Å; N131-T134 PolarHBondContact O-OG1 3.11Å; T134-K136 VanDerWaalsContact C-N 3.3Å; T134-K136 PolarHBondContact O-N 3.07Å; T134-L137 PolarHBondContact O-N 2.95Å; T134-T138 PolarHBondContact O-N 3.48Å; T134-T138 PolarHBondContact O-OG1 3.39Å; T134-L154 HydrophobicContact CG2-CD1 4.23Å |
| 135 | R | 91.7 | Very high | 89.4 | Confident | 117 Ų | 117 | 46.9 Ų | 46.9 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.1 | -38.3 | 175.7 | -72.8 | 173.2 | 173.3 | -176 | 1.6 | 112.9 | N131 L132 L133 S139 D151 | N131-R135 VanDerWaalsContact O-CG 3.28Å; N131-R135 WeakPolarHBondContact O-CG 3.41Å; N131-R135 PolarHBondContact O-N 2.94Å; L132-R135 PolarHBondContact O-N 3.44Å; L133-R135 PolarHBondContact O-N 2.77Å; R135-S139 PolarHBondContact O-N 2.67Å; R135-D151 IonicContact CZ-OD1 2.75Å; R135-D151 IonicContact CZ-OD2 3.66Å; R135-D151 IonicContact NE-OD1 3.6Å; R135-D151 PolarHBondContact NE-OD1 3.04Å; R135-D151 IonicContact NH2-OD1 2.72Å; R135-D151 PolarHBondContact NH2-OD1 3.37Å; R135-D151 IonicContact NH2-OD2 2.92Å; R135-D151 PolarHBondContact NH2-OD2 3.03Å |
| 136 | K | 91.5 | Very high | 88.3 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | 175.7 | -63.7 | -67.7 | -176.6 | 166.8 | 0 | 110.7 | L62 A65 K67 L70 L132 L133 T134 S139 I140 | L62-K136 WeakPolarHBondContact O-CG 3.49Å; A65-K136 WeakPolarHBondContact O-CE 3.28Å; A65-K136 PolarHBondContact O-NZ 3.11Å; K67-K136 HydrophobicContact CG-CD 4.11Å; L70-K136 HydrophobicContact CD1-CB 3.89Å; L70-K136 HydrophobicContact CD1-CD 3.59Å; L70-K136 HydrophobicContact CD1-CG 4.19Å; L132-K136 VanDerWaalsContact O-CG 3.26Å; L132-K136 WeakPolarHBondContact O-CG 3.29Å; L132-K136 PolarHBondContact O-N 2.87Å; L132-K136 VanDerWaalsContact O-N 3.12Å; L133-K136 PolarHBondContact O-N 2.98Å; L133-K136 VanDerWaalsContact O-N 3.15Å; T134-K136 VanDerWaalsContact C-N 3.3Å; T134-K136 PolarHBondContact O-N 3.07Å; K136-S139 PolarHBondContact O-N 2.96Å; K136-S139 PolarHBondContact O-OG 2.58Å; K136-I140 WeakPolarHBondContact O-CG1 3.36Å; K136-I140 PolarHBondContact O-N 3.5Å |
| 137 | L | 92 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -40 | 179.2 | -71.5 | 171.2 | 0 | 0 | 0 | 112.6 | L62 W79 I87 L105 F114 L133 T134 S139 I140 L141 | L62-L137 HydrophobicContact CD1-CD2 4.11Å; W79-L137 HydrophobicContact CZ3-CD2 3.79Å; I87-L137 HydrophobicContact CD1-CD1 3.35Å; I87-L137 HydrophobicContact CD1-CD2 4.34Å; I87-L137 HydrophobicContact CD1-CG 4.5Å; L105-L137 HydrophobicContact CD2-CD1 3.98Å; F114-L137 HydrophobicContact CE1-CB 3.87Å; F114-L137 HydrophobicContact CE1-CD1 3.81Å; F114-L137 HydrophobicContact CZ-CB 3.78Å; L133-L137 HydrophobicContact CD1-CD1 4.04Å; L133-L137 HydrophobicContact CD1-CG 3.97Å; L133-L137 HydrophobicContact CD2-CD1 4.44Å; L133-L137 HydrophobicContact CG-CD1 3.78Å; L133-L137 HydrophobicContact CG-CG 4.2Å; L133-L137 WeakPolarHBondContact O-CB 3.48Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 3.47Å; T134-L137 PolarHBondContact O-N 2.95Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.15Å; L137-I140 CarbonylContact O-C 3.57Å; L137-I140 WeakPolarHBondContact O-CA 3.4Å; L137-I140 WeakPolarHBondContact O-CB 3.48Å; L137-I140 PolarHBondContact O-N 2.87Å; L137-L141 HydrophobicContact CB-CD1 4Å; L137-L141 HydrophobicContact CD2-CD1 4.47Å; L137-L141 WeakPolarHBondContact O-CB 3.26Å; L137-L141 VanDerWaalsContact O-CG 3.26Å; L137-L141 WeakPolarHBondContact O-CG 3.37Å; L137-L141 PolarHBondContact O-N 3.14Å |
| 138 | T | 90.7 | Very high | 86.2 | Confident | 12 Ų | 12 | 60 Ų | 60 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | F114 T134 I140 L141 E142 V145 P152 | F114-T138 WeakPolarHBondContact CE2-OG1 3.34Å; T134-T138 PolarHBondContact O-N 3.48Å; T134-T138 PolarHBondContact O-OG1 3.39Å; T138-I140 PolarHBondContact O-N 3.36Å; T138-L141 PolarHBondContact O-N 3.41Å; T138-E142 PolarHBondContact O-N 3.14Å; T138-E142 VanDerWaalsContact O-N 3.11Å; T138-V145 HydrophobicContact CG2-CG1 4.13Å; T138-V145 HydrophobicContact CG2-CG2 4.11Å; T138-P152 VanDerWaalsContact OG1-CB 3.29Å; T138-P152 WeakPolarHBondContact OG1-CB 3.34Å |
| 139 | S | 85.9 | Confident | 85.4 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.1 | -15.2 | 176.7 | 72.9 | 0 | 0 | 0 | 0 | 114.8 | R135 K136 L137 | R135-S139 PolarHBondContact O-N 2.67Å; K136-S139 PolarHBondContact O-N 2.96Å; K136-S139 PolarHBondContact O-OG 2.58Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.15Å |
| 140 | I | 87.6 | Confident | 84.7 | Confident | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -96.8 | -43.6 | 178.7 | -69.8 | 170.5 | 0 | 0 | 0 | 110.4 | L62 L70 P74 K136 L137 T138 | L62-I140 HydrophobicContact CD2-CD1 3.8Å; L70-I140 HydrophobicContact CB-CD1 4.01Å; L70-I140 HydrophobicContact CB-CG1 3.99Å; L70-I140 HydrophobicContact CD1-CD1 4.08Å; L70-I140 HydrophobicContact CD2-CD1 4.11Å; L70-I140 HydrophobicContact CG-CD1 4.29Å; P74-I140 HydrophobicContact CB-CG2 3.65Å; P74-I140 HydrophobicContact CG-CB 4.14Å; P74-I140 HydrophobicContact CG-CG2 3.42Å; P74-I140 VanDerWaalsContact CG-CG2 3.42Å; P74-I140 VanDerWaalsContact CG-O 3.25Å; P74-I140 WeakPolarHBondContact CG-O 3.25Å; K136-I140 WeakPolarHBondContact O-CG1 3.36Å; K136-I140 PolarHBondContact O-N 3.5Å; L137-I140 CarbonylContact O-C 3.57Å; L137-I140 WeakPolarHBondContact O-CA 3.4Å; L137-I140 WeakPolarHBondContact O-CB 3.48Å; L137-I140 PolarHBondContact O-N 2.87Å; T138-I140 PolarHBondContact O-N 3.36Å |
| 141 | L | 88.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -91.7 | -21.9 | -166.1 | -63.4 | 170.7 | 0 | 0 | 0 | 113.6 | W79 L85 Y107 R109 L137 T138 | W79-L141 HydrophobicContact CB-CD2 4.05Å; W79-L141 HydrophobicContact CE3-CD2 4.3Å; L85-L141 HydrophobicContact CD2-CD1 3.93Å; L85-L141 HydrophobicContact CD2-CD2 3.93Å; Y107-L141 HydrophobicContact CD1-CD1 3.62Å; Y107-L141 HydrophobicContact CD2-CD1 4.38Å; Y107-L141 HydrophobicContact CE1-CB 4.26Å; Y107-L141 HydrophobicContact CE1-CD1 3.76Å; Y107-L141 HydrophobicContact CE1-CG 4.5Å; Y107-L141 HydrophobicContact CG-CD1 3.93Å; R109-L141 PolarHBondContact NH1-O 2.75Å; L137-L141 HydrophobicContact CB-CD1 4Å; L137-L141 HydrophobicContact CD2-CD1 4.47Å; L137-L141 WeakPolarHBondContact O-CB 3.26Å; L137-L141 VanDerWaalsContact O-CG 3.26Å; L137-L141 WeakPolarHBondContact O-CG 3.37Å; L137-L141 PolarHBondContact O-N 3.14Å; T138-L141 PolarHBondContact O-N 3.41Å |
| 142 | E | 83.4 | Confident | 84 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -114 | 124.2 | -178.5 | -65.6 | -160.9 | -131.5 | 0 | 0 | 111.3 | K112 T138 V145 | K112-E142 WeakPolarHBondContact CD-OE2 3.44Å; K112-E142 IonicContact NZ-OE2 2.79Å; K112-E142 PolarHBondContact NZ-OE2 3.15Å; T138-E142 PolarHBondContact O-N 3.14Å; T138-E142 VanDerWaalsContact O-N 3.11Å; E142-V145 HydrophobicContact CB-CG2 3.46Å; E142-V145 VanDerWaalsContact CB-CG2 3.46Å |
| 143 | E | 74.7 | Confident | 84 | Confident | 173 Ų | 173 | 70.3 Ų | 70.3 | 81% | 0.808 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 138.9 | 176.3 | -61.9 | -178.7 | 176.4 | 0 | 0 | 110.5 | V145 | E143-V145 PolarHBondContact O-N 3.3Š|
| 144 | N | 70.6 | Confident | 84.1 | Confident | 157 Ų | 157 | 72.3 Ų | 72.3 | 84% | 0.84 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 21.5 | 173.3 | -48.1 | -62.5 | 0 | 0 | 0 | 116.7 | S146 | N144-S146 PolarHBondContact O-N 3.25Š|
| 145 | V | 73.2 | Confident | 84.1 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 32% | 0.315 | 39% | 0.391 | S | S | . | . | trans | -72.9 | 115.6 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | T138 E142 E143 S149 | T138-V145 HydrophobicContact CG2-CG1 4.13Å; T138-V145 HydrophobicContact CG2-CG2 4.11Å; E142-V145 HydrophobicContact CB-CG2 3.46Å; E142-V145 VanDerWaalsContact CB-CG2 3.46Å; E143-V145 PolarHBondContact O-N 3.3Å; V145-S149 WeakPolarHBondContact CG1-OG 3.43Å | ||
| 146 | S | 71.9 | Confident | 84.3 | Confident | 66 Ų | 66 | 74.1 Ų | 74.1 | 46% | 0.462 | 40% | 0.395 | S | S | . | . | trans | -78.2 | 162 | 173.4 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | N144 D148 S149 | N144-S146 PolarHBondContact O-N 3.25Å; S146-D148 PolarHBondContact O-N 2.94Å; S146-S149 PolarHBondContact N-OG 3.48Å; S146-S149 WeakPolarHBondContact O-CB 3.32Å; S146-S149 PolarHBondContact O-N 2.89Å; S146-S149 VanDerWaalsContact O-N 3.1Å; S146-S149 PolarHBondContact O-OG 3.4Å; S146-S149 PolarHBondContact OG-N 3.42Å; S146-S149 PolarHBondContact OG-OG 2.96Å; S146-S149 VanDerWaalsContact OG-OG 3.14Å | ||
| 147 | E | 69.6 | Low | 84.5 | Confident | 158 Ų | 158 | 74.6 Ų | 74.6 | 74% | 0.738 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.4 | 176 | -73.2 | -171.9 | 157.4 | 0 | 0 | 113.6 | S149 | E147-S149 VanDerWaalsContact C-N 3.34Š|
| 148 | D | 73.6 | Confident | 84.7 | Confident | 155 Ų | 155 | 80 Ų | 80 | 83% | 0.829 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.8 | 179.1 | -55.4 | -45.7 | 0 | 0 | 0 | 113.3 | S146 | S146-D148 PolarHBondContact O-N 2.94Š|
| 149 | S | 78.1 | Confident | 85 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 35% | 0.35 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -65 | 150.7 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | V145 S146 E147 | V145-S149 WeakPolarHBondContact CG1-OG 3.43Å; S146-S149 PolarHBondContact N-OG 3.48Å; S146-S149 WeakPolarHBondContact O-CB 3.32Å; S146-S149 PolarHBondContact O-N 2.89Å; S146-S149 VanDerWaalsContact O-N 3.1Å; S146-S149 PolarHBondContact O-OG 3.4Å; S146-S149 PolarHBondContact OG-N 3.42Å; S146-S149 PolarHBondContact OG-OG 2.96Å; S146-S149 VanDerWaalsContact OG-OG 3.14Å; E147-S149 VanDerWaalsContact C-N 3.34Å |
| 150 | E | 82.3 | Confident | 85.6 | Confident | 186 Ų | 186 | 77.8 Ų | 77.8 | 87% | 0.869 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 151.9 | 174.4 | -68.8 | -175.2 | 168.6 | 0 | 0 | 111.3 | ||
| 151 | D | 85.6 | Confident | 86.1 | Confident | 96 Ų | 96 | 81 Ų | 81 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 141 | 174.1 | -85.1 | -34.6 | 0 | 0 | 0 | 110.2 | R135 | R135-D151 IonicContact CZ-OD1 2.75Å; R135-D151 IonicContact CZ-OD2 3.66Å; R135-D151 IonicContact NE-OD1 3.6Å; R135-D151 PolarHBondContact NE-OD1 3.04Å; R135-D151 IonicContact NH2-OD1 2.72Å; R135-D151 PolarHBondContact NH2-OD1 3.37Å; R135-D151 IonicContact NH2-OD2 2.92Å; R135-D151 PolarHBondContact NH2-OD2 3.03Å |
| 152 | P | 90.2 | Very high | 86.5 | Confident | 23 Ų | 23 | 81.7 Ų | 81.7 | 15% | 0.149 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 146.9 | -178.9 | 26.7 | -34.2 | 0 | 0 | 0 | 111.3 | F114 T138 L154 | F114-P152 HydrophobicContact CD2-CB 3.89Å; F114-P152 HydrophobicContact CD2-CG 4.44Å; F114-P152 HydrophobicContact CE2-CB 3.79Å; F114-P152 HydrophobicContact CE2-CG 4.34Å; T138-P152 VanDerWaalsContact OG1-CB 3.29Å; T138-P152 WeakPolarHBondContact OG1-CB 3.34Å; P152-L154 PolarHBondContact O-N 3.16Å |
| 153 | I | 93.3 | Very high | 87 | Confident | 101 Ų | 101 | 85.2 Ų | 85.2 | 52% | 0.518 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 122.5 | 174.4 | -60.7 | 168.8 | 0 | 0 | 0 | 108.4 | K113 F114 | K113-I153 HydrophobicContact CB-CB 4.06Å; K113-I153 HydrophobicContact CB-CG2 3.9Å; F114-I153 PolarHBondContact N-O 2.92Å |
| 154 | L | 96.2 | Very high | 88 | Confident | 42 Ų | 42 | 78.9 Ų | 78.9 | 22% | 0.22 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 108 | 178.9 | 174.1 | 63.9 | 0 | 0 | 0 | 109.6 | L105 F114 C116 I130 T134 P152 | L105-L154 HydrophobicContact CD1-CD1 4.07Å; F114-L154 HydrophobicContact CB-CD1 3.73Å; F114-L154 WeakPolarHBondContact O-CA 3.49Å; C116-L154 HydrophobicContact CB-CD1 4.12Å; I130-L154 HydrophobicContact CG2-CD1 3.91Å; I130-L154 HydrophobicContact CG2-CD2 3.55Å; I130-L154 HydrophobicContact CG2-CG 4.39Å; T134-L154 HydrophobicContact CG2-CD1 4.23Å; P152-L154 PolarHBondContact O-N 3.16Å |
| 155 | D | 96.1 | Very high | 89.2 | Confident | 69 Ų | 69 | 75.7 Ų | 75.7 | 37% | 0.369 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.1 | 172.9 | -67.1 | -30.7 | 0 | 0 | 0 | 109.6 | K113 F114 E115 C116 L157 | K113-D155 IonicContact NZ-OD2 3.55Å; F114-D155 PolarHBondContact O-N 3.44Å; E115-D155 CarbonylContact C-O 3.45Å; E115-D155 WeakPolarHBondContact CA-O 3.24Å; C116-D155 PolarHBondContact N-O 2.9Å; D155-L157 HydrophobicContact CB-CD2 3.76Å; D155-L157 VanDerWaalsContact O-CD2 3.26Å; D155-L157 WeakPolarHBondContact O-CD2 3.36Å |
| 156 | V | 95.8 | Very high | 90.2 | Very high | 88 Ų | 88 | 73.3 Ų | 73.3 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 111.6 | 169.3 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | M122 | M122-V156 HydrophobicContact CE-CB 4.42Å; M122-V156 HydrophobicContact CE-CG1 3.78Å; M122-V156 HydrophobicContact CE-CG2 3.7Å |
| 157 | L | 96.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 70.2 Ų | 70.2 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | trans | -83 | 140.9 | -171.5 | -77.4 | -67.1 | 0 | 0 | 0 | 109.9 | E115 C116 Y117 D155 C159 | E115-L157 HydrophobicContact CB-CD2 3.53Å; E115-L157 HydrophobicContact CB-CG 4.42Å; E115-L157 HydrophobicContact CG-CD2 3.84Å; C116-L157 PolarHBondContact O-N 2.94Å; Y117-L157 HydrophobicContact CD1-CB 3.97Å; Y117-L157 HydrophobicContact CD1-CG 4.4Å; Y117-L157 HydrophobicContact CE1-CB 3.89Å; Y117-L157 HydrophobicContact CE1-CG 3.87Å; Y117-L157 HydrophobicContact CE2-CG 4.47Å; D155-L157 HydrophobicContact CB-CD2 3.76Å; D155-L157 VanDerWaalsContact O-CD2 3.26Å; D155-L157 WeakPolarHBondContact O-CD2 3.36Å; L157-C159 PolarHBondContact O-N 3.36Å | ||
| 158 | T | 96 | Very high | 92.8 | Very high | 115 Ų | 115 | 62.9 Ų | 62.9 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | trans | -76.8 | 121.2 | 170.1 | -54.8 | 0 | 0 | 0 | 0 | 108.4 | L195 | T158-L195 HydrophobicContact CG2-CD2 3.83Å; T158-L195 WeakPolarHBondContact O-CD2 3.41Å | ||
| 159 | C | 97.2 | Very high | 94 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | trans | -141.2 | 168.6 | 178.7 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | D118 L157 Q161 F175 L194 | D118-C159 PolarHBondContact O-SG 2.75Å; L157-C159 PolarHBondContact O-N 3.36Å; C159-Q161 PolarHBondContact O-NE2 2.97Å; C159-F175 HydrophobicContact CB-CE1 4.06Å; C159-F175 HydrophobicContact CB-CE2 4.47Å; C159-F175 HydrophobicContact CB-CZ 3.8Å; C159-L194 HydrophobicContact CB-CD1 3.67Å; C159-L194 HydrophobicContact CB-CD2 3.92Å; C159-L194 HydrophobicContact CB-CG 3.51Å | ||
| 160 | A | 97.7 | Very high | 95 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | trans | -53.8 | 140.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y171 L194 L197 | A160-Y171 HydrophobicContact CB-CE1 4.12Å; A160-L194 WeakPolarHBondContact CB-O 3.33Å; A160-L194 PolarHBondContact N-O 2.94Å; A160-L197 HydrophobicContact CB-CB 3.65Å; A160-L197 HydrophobicContact CB-CD1 4.4Å; A160-L197 HydrophobicContact CB-CG 4.35Å | ||
| 161 | Q | 97.7 | Very high | 95.8 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | trans | -107.3 | 136.4 | -175.4 | -59.6 | -64.8 | -73.7 | 0 | 0 | 110.3 | D118 S119 M120 P121 C159 Y171 | D118-Q161 PolarHBondContact O-NE2 3.29Å; S119-Q161 CarbonylContact O-C 3.58Å; S119-Q161 VanDerWaalsContact O-CA 3.24Å; S119-Q161 WeakPolarHBondContact O-CA 3.42Å; S119-Q161 PolarHBondContact O-OE1 2.77Å; M120-Q161 VanDerWaalsContact CA-OE1 3.31Å; P121-Q161 VanDerWaalsContact CD-OE1 3.28Å; P121-Q161 VanDerWaalsContact N-OE1 3.15Å; C159-Q161 PolarHBondContact O-NE2 2.97Å; Q161-Y171 PolarHBondContact O-OH 3.15Å | ||
| 162 | Q | 96.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | trans | -65.1 | 144.1 | 177.1 | 73.8 | -176.8 | 49.5 | 0 | 0 | 111 | S119 M120 N164 C168 Y171 | S119-Q162 WeakPolarHBondContact O-CG 3.39Å; S119-Q162 PolarHBondContact O-N 3.28Å; S119-Q162 PolarHBondContact OG-OE1 3.02Å; M120-Q162 VanDerWaalsContact CG-CD 3.44Å; M120-Q162 HydrophobicContact CG-CG 3.61Å; M120-Q162 HydrophobicContact SD-CG 4.36Å; M120-Q162 PolarHBondContact SD-NE2 3.17Å; Q162-N164 WeakPolarHBondContact CG-O 3.47Å; Q162-N164 PolarHBondContact NE2-O 3.04Å; Q162-C168 VanDerWaalsContact OE1-N 3.15Å; Q162-Y171 HydrophobicContact CB-CD2 3.95Å; Q162-Y171 HydrophobicContact CB-CE2 3.4Å; Q162-Y171 VanDerWaalsContact CB-CE2 3.4Å | ||
| 163 | T | 95.8 | Very high | 96.8 | Very high | 112 Ų | 112 | 38.9 Ų | 38.9 | 69% | 0.687 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -100.5 | -0.7 | 179.4 | 65.5 | 0 | 0 | 0 | 0 | 113.4 | Q199 | T163-Q199 PolarHBondContact OG1-OE1 2.87Å; T163-Q199 VanDerWaalsContact OG1-OE1 3.09Å |
| 164 | N | 95.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 21% | 0.214 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -130.7 | -167.9 | -179.8 | 64.3 | 65.1 | 0 | 0 | 0 | 111.3 | Q162 S166 D167 Q199 | Q162-N164 WeakPolarHBondContact CG-O 3.47Å; Q162-N164 PolarHBondContact NE2-O 3.04Å; N164-S166 PolarHBondContact OD1-N 3.03Å; N164-S166 PolarHBondContact OD1-OG 3.27Å; N164-D167 PolarHBondContact ND2-OD2 2.9Å; N164-D167 WeakPolarHBondContact OD1-CB 3.43Å; N164-D167 PolarHBondContact OD1-N 2.83Å; N164-Q199 PolarHBondContact ND2-NE2 2.86Å; N164-Q199 PolarHBondContact ND2-OE1 3.3Å |
| 165 | S | 94.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 32.5 Ų | 32.5 | 62% | 0.622 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -110.4 | 9.6 | -176.6 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | W26 | W26-S165 PolarHBondContact NE1-O 3.3Š|
| 166 | S | 96 | Very high | 97.3 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -130 | -14.7 | -168.2 | 54.9 | 0 | 0 | 0 | 0 | 116.5 | N24 N164 | N24-S166 WeakPolarHBondContact CA-OG 3.28Å; N164-S166 PolarHBondContact OD1-N 3.03Å; N164-S166 PolarHBondContact OD1-OG 3.27Å |
| 167 | D | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | trans | -92.8 | 0.1 | -169.1 | -74.4 | -17.6 | 0 | 0 | 0 | 114.6 | N164 G169 V170 Y171 Q199 I202 R206 | N164-D167 PolarHBondContact ND2-OD2 2.9Å; N164-D167 WeakPolarHBondContact OD1-CB 3.43Å; N164-D167 PolarHBondContact OD1-N 2.83Å; D167-G169 PolarHBondContact O-N 3.4Å; D167-G169 VanDerWaalsContact O-N 3.08Å; D167-V170 WeakPolarHBondContact O-CA 3.27Å; D167-V170 WeakPolarHBondContact O-CB 3.4Å; D167-V170 PolarHBondContact O-N 2.87Å; D167-Y171 HydrophobicContact CB-CD2 4.17Å; D167-Y171 HydrophobicContact CB-CE2 4.19Å; D167-Y171 WeakPolarHBondContact O-CD2 3.44Å; D167-Y171 PolarHBondContact O-N 3.21Å; D167-Q199 PolarHBondContact OD2-NE2 3.18Å; D167-I202 HydrophobicContact CB-CG2 3.7Å; D167-I202 VanDerWaalsContact CG-CG2 3.45Å; D167-I202 VanDerWaalsContact OD2-CG2 3.28Å; D167-I202 WeakPolarHBondContact OD2-CG2 3.44Å; D167-R206 IonicContact OD1-CZ 2.58Å; D167-R206 VanDerWaalsContact OD1-CZ 3.29Å; D167-R206 IonicContact OD1-NE 2.75Å; D167-R206 PolarHBondContact OD1-NE 3.16Å; D167-R206 IonicContact OD1-NH2 2.96Å; D167-R206 PolarHBondContact OD1-NH2 2.86Å | ||
| 168 | C | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -49.2 | -41.2 | -179.4 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | H101 W102 Q162 V170 Y171 V172 | H101-C168 WeakPolarHBondContact CE1-CB 3.38Å; W102-C168 HydrophobicContact CB-CB 4.37Å; Q162-C168 VanDerWaalsContact OE1-N 3.15Å; C168-V170 PolarHBondContact O-N 3.11Å; C168-Y171 PolarHBondContact O-N 3.39Å; C168-V172 WeakPolarHBondContact O-CG2 3.34Å; C168-V172 PolarHBondContact O-N 2.88Å |
| 169 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.5 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L32 D167 V172 V173 | L32-G169 WeakPolarHBondContact CD2-O 3.43Å; D167-G169 PolarHBondContact O-N 3.4Å; D167-G169 VanDerWaalsContact O-N 3.08Å; G169-V172 PolarHBondContact O-N 2.83Å; G169-V173 WeakPolarHBondContact O-CG2 3.27Å; G169-V173 PolarHBondContact O-N 3.25Å |
| 170 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.3 | -42.4 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 110 | L27 D167 C168 V172 V173 I174 I202 M205 R206 M209 | L27-V170 HydrophobicContact CD1-CG2 3.96Å; L27-V170 HydrophobicContact CG-CG2 4.24Å; D167-V170 WeakPolarHBondContact O-CA 3.27Å; D167-V170 WeakPolarHBondContact O-CB 3.4Å; D167-V170 PolarHBondContact O-N 2.87Å; C168-V170 PolarHBondContact O-N 3.11Å; V170-V172 VanDerWaalsContact C-N 3.3Å; V170-V172 PolarHBondContact O-N 2.82Å; V170-V173 PolarHBondContact O-N 3.12Å; V170-V173 VanDerWaalsContact O-N 3.14Å; V170-I174 HydrophobicContact CG1-CD1 4.19Å; V170-I174 WeakPolarHBondContact O-CG1 3.46Å; V170-I174 PolarHBondContact O-N 3.31Å; V170-I202 HydrophobicContact CB-CG2 3.93Å; V170-I202 HydrophobicContact CG1-CG2 3.75Å; V170-I202 HydrophobicContact CG2-CG2 4.39Å; V170-M205 HydrophobicContact CG1-CB 3.82Å; V170-M205 HydrophobicContact CG1-CG 3.65Å; V170-R206 HydrophobicContact CG1-CG 4.39Å; V170-R206 HydrophobicContact CG2-CG 3.9Å; V170-M209 HydrophobicContact CG1-SD 4.41Å |
| 171 | Y | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 172.6 | -83.5 | -88.1 | 0 | 0 | 0 | 111.8 | A160 Q161 Q162 D167 C168 V173 I174 F175 L197 I202 | A160-Y171 HydrophobicContact CB-CE1 4.12Å; Q161-Y171 PolarHBondContact O-OH 3.15Å; Q162-Y171 HydrophobicContact CB-CD2 3.95Å; Q162-Y171 HydrophobicContact CB-CE2 3.4Å; Q162-Y171 VanDerWaalsContact CB-CE2 3.4Å; D167-Y171 HydrophobicContact CB-CD2 4.17Å; D167-Y171 HydrophobicContact CB-CE2 4.19Å; D167-Y171 WeakPolarHBondContact O-CD2 3.44Å; D167-Y171 PolarHBondContact O-N 3.21Å; C168-Y171 PolarHBondContact O-N 3.39Å; Y171-V173 VanDerWaalsContact C-N 3.32Å; Y171-V173 PolarHBondContact O-N 3.15Å; Y171-I174 PolarHBondContact O-N 3.42Å; Y171-F175 AromaticContact CD1-CE1 3.94Å; Y171-F175 HydrophobicContact CD1-CE1 3.94Å; Y171-F175 HydrophobicContact CD1-CE2 4.11Å; Y171-F175 AromaticContact CD1-CZ 3.52Å; Y171-F175 HydrophobicContact CD1-CZ 3.52Å; Y171-F175 HydrophobicContact CE1-CZ 4.37Å; Y171-F175 HydrophobicContact CG-CE2 4.48Å; Y171-F175 HydrophobicContact CG-CZ 4.32Å; Y171-F175 WeakPolarHBondContact O-CB 3.42Å; Y171-F175 WeakPolarHBondContact O-CD2 3.31Å; Y171-F175 WeakPolarHBondContact O-CG 3.26Å; Y171-F175 PolarHBondContact O-N 3.44Å; Y171-L197 HydrophobicContact CD1-CD1 4.26Å; Y171-L197 HydrophobicContact CE1-CB 4.38Å; Y171-L197 HydrophobicContact CE1-CD1 4.29Å; Y171-I202 HydrophobicContact CD1-CD1 4.04Å; Y171-I202 HydrophobicContact CD2-CD1 3.96Å; Y171-I202 HydrophobicContact CD2-CG1 4.35Å; Y171-I202 HydrophobicContact CE1-CD1 3.73Å; Y171-I202 HydrophobicContact CE1-CG1 4.39Å; Y171-I202 HydrophobicContact CE2-CD1 3.61Å; Y171-I202 HydrophobicContact CE2-CG1 3.63Å; Y171-I202 HydrophobicContact CG-CD1 4.16Å; Y171-I202 VanDerWaalsContact CZ-CD1 3.5Å |
| 172 | V | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 175.1 | 167.1 | 0 | 0 | 0 | 0 | 112 | L32 P88 W102 S103 L104 C168 G169 V170 A176 | L32-V172 HydrophobicContact CD2-CG1 4.33Å; P88-V172 HydrophobicContact CB-CG1 4.05Å; P88-V172 HydrophobicContact CG-CG1 4.26Å; W102-V172 HydrophobicContact CB-CG2 3.93Å; S103-V172 VanDerWaalsContact C-CG2 3.48Å; L104-V172 HydrophobicContact CB-CG1 4.43Å; L104-V172 HydrophobicContact CB-CG2 4.37Å; L104-V172 HydrophobicContact CD1-CG1 4.02Å; C168-V172 WeakPolarHBondContact O-CG2 3.34Å; C168-V172 PolarHBondContact O-N 2.88Å; G169-V172 PolarHBondContact O-N 2.83Å; V170-V172 VanDerWaalsContact C-N 3.3Å; V170-V172 PolarHBondContact O-N 2.82Å; V172-A176 VanDerWaalsContact O-CB 3.24Å; V172-A176 WeakPolarHBondContact O-CB 3.43Å; V172-A176 PolarHBondContact O-N 2.92Å |
| 173 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L32 F35 F39 G169 V170 Y171 Q177 M205 M209 | L32-V173 HydrophobicContact CD2-CG2 3.63Å; F35-V173 HydrophobicContact CB-CG1 4.17Å; F35-V173 HydrophobicContact CB-CG2 4.07Å; F35-V173 HydrophobicContact CD1-CG1 4.02Å; F35-V173 HydrophobicContact CD2-CG2 4.41Å; F35-V173 HydrophobicContact CG-CG1 4Å; F35-V173 HydrophobicContact CG-CG2 4.24Å; F39-V173 HydrophobicContact CE2-CG1 4.21Å; F39-V173 HydrophobicContact CZ-CG1 3.73Å; G169-V173 WeakPolarHBondContact O-CG2 3.27Å; G169-V173 PolarHBondContact O-N 3.25Å; V170-V173 PolarHBondContact O-N 3.12Å; V170-V173 VanDerWaalsContact O-N 3.14Å; Y171-V173 VanDerWaalsContact C-N 3.32Å; Y171-V173 PolarHBondContact O-N 3.15Å; V173-Q177 PolarHBondContact O-N 2.94Å; V173-Q177 VanDerWaalsContact O-N 3.11Å; V173-M205 HydrophobicContact CG1-SD 4.48Å; V173-M209 HydrophobicContact CG2-CE 4.09Å |
| 174 | I | 98.7 | Very high | 97.9 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 5% | 0.046 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.8 | -50.2 | 178.3 | -62.8 | 168.7 | 0 | 0 | 0 | 110.6 | V170 Y171 A176 Q177 L178 L197 I202 M205 | V170-I174 HydrophobicContact CG1-CD1 4.19Å; V170-I174 WeakPolarHBondContact O-CG1 3.46Å; V170-I174 PolarHBondContact O-N 3.31Å; Y171-I174 PolarHBondContact O-N 3.42Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 3.4Å; I174-Q177 WeakPolarHBondContact O-CB 3.41Å; I174-Q177 PolarHBondContact O-N 3Å; I174-Q177 VanDerWaalsContact O-N 3.11Å; I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.19Å; I174-L178 WeakPolarHBondContact O-CG 3.34Å; I174-L178 PolarHBondContact O-N 3.2Å; I174-L197 HydrophobicContact CB-CD1 4.36Å; I174-L197 HydrophobicContact CG2-CD1 3.56Å; I174-L197 HydrophobicContact CG2-CD2 3.9Å; I174-L197 HydrophobicContact CG2-CG 4.38Å; I174-I202 HydrophobicContact CD1-CD1 3.37Å; I174-M205 HydrophobicContact CD1-CB 3.88Å; I174-M205 HydrophobicContact CD1-CG 4.02Å; I174-M205 HydrophobicContact CG1-CB 4.09Å; I174-M205 HydrophobicContact CG1-CE 3.73Å; I174-M205 HydrophobicContact CG1-CG 3.7Å; I174-M205 HydrophobicContact CG1-SD 4.43Å |
| 175 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 179.6 | -64.8 | -23.3 | 0 | 0 | 0 | 111.5 | L104 C159 Y171 Q177 L178 V179 L194 L197 | L104-F175 HydrophobicContact CD2-CB 3.73Å; C159-F175 HydrophobicContact CB-CE1 4.06Å; C159-F175 HydrophobicContact CB-CE2 4.47Å; C159-F175 HydrophobicContact CB-CZ 3.8Å; Y171-F175 AromaticContact CD1-CE1 3.94Å; Y171-F175 HydrophobicContact CD1-CE1 3.94Å; Y171-F175 HydrophobicContact CD1-CE2 4.11Å; Y171-F175 AromaticContact CD1-CZ 3.52Å; Y171-F175 HydrophobicContact CD1-CZ 3.52Å; Y171-F175 HydrophobicContact CE1-CZ 4.37Å; Y171-F175 HydrophobicContact CG-CE2 4.48Å; Y171-F175 HydrophobicContact CG-CZ 4.32Å; Y171-F175 WeakPolarHBondContact O-CB 3.42Å; Y171-F175 WeakPolarHBondContact O-CD2 3.31Å; Y171-F175 WeakPolarHBondContact O-CG 3.26Å; Y171-F175 PolarHBondContact O-N 3.44Å; F175-Q177 VanDerWaalsContact C-N 3.31Å; F175-Q177 PolarHBondContact O-N 2.96Å; F175-L178 PolarHBondContact O-N 2.68Å; F175-V179 WeakPolarHBondContact O-CB 3.29Å; F175-V179 VanDerWaalsContact O-CG2 3.27Å; F175-V179 WeakPolarHBondContact O-CG2 3.46Å; F175-V179 PolarHBondContact O-N 3.27Å; F175-L194 HydrophobicContact CD1-CD1 3.43Å; F175-L194 VanDerWaalsContact CD1-CD1 3.43Å; F175-L194 HydrophobicContact CE1-CD1 3.57Å; F175-L194 HydrophobicContact CG-CD1 4.24Å; F175-L194 HydrophobicContact CZ-CD1 4.46Å; F175-L197 HydrophobicContact CD1-CD1 4.15Å; F175-L197 HydrophobicContact CE1-CD1 3.68Å |
| 176 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M36 F39 I86 L104 V172 I174 A180 | M36-A176 HydrophobicContact CE-CB 3.87Å; M36-A176 HydrophobicContact SD-CB 4.45Å; F39-A176 HydrophobicContact CD2-CB 4.4Å; F39-A176 HydrophobicContact CE2-CB 4Å; I86-A176 HydrophobicContact CG2-CB 3.62Å; L104-A176 HydrophobicContact CD1-CB 4.25Å; L104-A176 HydrophobicContact CD2-CB 4.22Å; V172-A176 VanDerWaalsContact O-CB 3.24Å; V172-A176 WeakPolarHBondContact O-CB 3.43Å; V172-A176 PolarHBondContact O-N 2.92Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 3.4Å; A176-A180 WeakPolarHBondContact O-CB 3.41Å; A176-A180 PolarHBondContact O-N 3.45Å |
| 177 | Q | 98.5 | Very high | 98.1 | Very high | 17 Ų | 17 | 24.3 Ų | 24.3 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 177.2 | -167.3 | -170.5 | 82.3 | 0 | 0 | 112.3 | F39 M43 F44 V173 I174 F175 K181 | F39-Q177 HydrophobicContact CE2-CB 4.48Å; F39-Q177 HydrophobicContact CZ-CB 4.04Å; M43-Q177 HydrophobicContact CE-CG 3.77Å; M43-Q177 VanDerWaalsContact CE-NE2 3.34Å; M43-Q177 HydrophobicContact SD-CG 3.91Å; M43-Q177 PolarHBondContact SD-NE2 2.68Å; M43-Q177 VanDerWaalsContact SD-NE2 3.39Å; F44-Q177 HydrophobicContact CZ-CG 4.39Å; V173-Q177 PolarHBondContact O-N 2.94Å; V173-Q177 VanDerWaalsContact O-N 3.11Å; I174-Q177 WeakPolarHBondContact O-CB 3.41Å; I174-Q177 PolarHBondContact O-N 3Å; I174-Q177 VanDerWaalsContact O-N 3.11Å; F175-Q177 VanDerWaalsContact C-N 3.31Å; F175-Q177 PolarHBondContact O-N 2.96Å; Q177-K181 HydrophobicContact CG-CD 4.28Å; Q177-K181 WeakPolarHBondContact O-CB 3.37Å; Q177-K181 VanDerWaalsContact O-CG 3.29Å; Q177-K181 WeakPolarHBondContact O-CG 3.4Å; Q177-K181 PolarHBondContact O-N 2.87Å |
| 178 | L | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 178.3 | -69.7 | 177.5 | 0 | 0 | 0 | 111.3 | I174 F175 A180 K181 D182 F190 D193 L194 | I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.19Å; I174-L178 WeakPolarHBondContact O-CG 3.34Å; I174-L178 PolarHBondContact O-N 3.2Å; F175-L178 PolarHBondContact O-N 2.68Å; L178-A180 PolarHBondContact O-N 3.35Å; L178-K181 PolarHBondContact O-N 3.25Å; L178-D182 WeakPolarHBondContact O-CB 3.19Å; L178-D182 PolarHBondContact O-N 2.83Å; L178-F190 HydrophobicContact CB-CD2 4.04Å; L178-F190 HydrophobicContact CB-CE2 3.91Å; L178-D193 HydrophobicContact CD1-CB 4.31Å; L178-D193 HydrophobicContact CD2-CB 3.93Å; L178-L194 HydrophobicContact CD1-CD1 4.37Å |
| 179 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 177.9 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | L84 I86 V106 Y117 F175 D182 F183 F190 | L84-V179 HydrophobicContact CD1-CG1 4.49Å; L84-V179 HydrophobicContact CD2-CG1 4.16Å; I86-V179 HydrophobicContact CD1-CG1 4.09Å; I86-V179 HydrophobicContact CG1-CG1 4.29Å; V106-V179 HydrophobicContact CG1-CG1 3.89Å; V106-V179 HydrophobicContact CG2-CG1 3.98Å; V106-V179 HydrophobicContact CG2-CG2 4.27Å; Y117-V179 HydrophobicContact CE1-CG2 4.1Å; Y117-V179 HydrophobicContact CE2-CG2 3.97Å; F175-V179 WeakPolarHBondContact O-CB 3.29Å; F175-V179 VanDerWaalsContact O-CG2 3.27Å; F175-V179 WeakPolarHBondContact O-CG2 3.46Å; F175-V179 PolarHBondContact O-N 3.27Å; V179-D182 PolarHBondContact O-N 3.17Å; V179-F183 WeakPolarHBondContact O-CB 3.41Å; V179-F183 PolarHBondContact O-N 3.11Å; V179-F190 HydrophobicContact CG2-CE2 3.89Å; V179-F190 HydrophobicContact CG2-CZ 3.9Å |
| 180 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F44 I51 F53 I86 A176 L178 D182 F183 C184 | F44-A180 HydrophobicContact CD1-CB 4.23Å; F44-A180 HydrophobicContact CD2-CB 4.08Å; F44-A180 HydrophobicContact CE1-CB 3.78Å; F44-A180 HydrophobicContact CE2-CB 3.62Å; F44-A180 HydrophobicContact CG-CB 4.36Å; F44-A180 HydrophobicContact CZ-CB 3.45Å; F44-A180 VanDerWaalsContact CZ-CB 3.45Å; I51-A180 HydrophobicContact CD1-CB 4.44Å; F53-A180 HydrophobicContact CE1-CB 4.09Å; F53-A180 HydrophobicContact CZ-CB 3.69Å; I86-A180 HydrophobicContact CD1-CB 3.92Å; A176-A180 WeakPolarHBondContact O-CB 3.41Å; A176-A180 PolarHBondContact O-N 3.45Å; L178-A180 PolarHBondContact O-N 3.35Å; A180-D182 PolarHBondContact O-N 3.06Å; A180-F183 PolarHBondContact O-N 3.1Å; A180-C184 WeakPolarHBondContact O-CB 3.23Å; A180-C184 PolarHBondContact O-N 3.26Å; A180-C184 PolarHBondContact O-SG 3.44Å |
| 181 | K | 98.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 42 Ų | 42 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.6 | -73.7 | 170.1 | 174.6 | 168.9 | 0 | 112.1 | F44 Q177 L178 C184 H185 R186 N187 | F44-K181 HydrophobicContact CE1-CG 4.08Å; F44-K181 HydrophobicContact CZ-CG 3.95Å; Q177-K181 HydrophobicContact CG-CD 4.28Å; Q177-K181 WeakPolarHBondContact O-CB 3.37Å; Q177-K181 VanDerWaalsContact O-CG 3.29Å; Q177-K181 WeakPolarHBondContact O-CG 3.4Å; Q177-K181 PolarHBondContact O-N 2.87Å; L178-K181 PolarHBondContact O-N 3.25Å; K181-C184 CarbonylContact O-C 3.57Å; K181-C184 PolarHBondContact O-N 3.26Å; K181-H185 PolarHBondContact O-N 3.4Å; K181-R186 HydrophobicContact CB-CB 4.31Å; K181-R186 WeakPolarHBondContact O-CA 3.5Å; K181-R186 PolarHBondContact O-N 3.1Å; K181-N187 HydrophobicContact CB-CB 3.77Å; K181-N187 PolarHBondContact O-N 2.86Å |
| 182 | D | 98 | Very high | 97.7 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.5 | -53.2 | 174.5 | 171.5 | 66.6 | 0 | 0 | 0 | 111 | R108 L178 V179 A180 C184 H185 F190 | R108-D182 IonicContact CZ-OD2 3.44Å; R108-D182 IonicContact NH1-OD2 3.52Å; R108-D182 IonicContact NH2-OD2 2.81Å; R108-D182 PolarHBondContact NH2-OD2 2.9Å; L178-D182 WeakPolarHBondContact O-CB 3.19Å; L178-D182 PolarHBondContact O-N 2.83Å; V179-D182 PolarHBondContact O-N 3.17Å; A180-D182 PolarHBondContact O-N 3.06Å; D182-C184 PolarHBondContact O-N 2.89Å; D182-H185 WeakPolarHBondContact O-CA 3.31Å; D182-H185 PolarHBondContact O-N 3.34Å; D182-F190 HydrophobicContact CB-CB 3.91Å; D182-F190 HydrophobicContact CB-CD1 4.3Å; D182-F190 HydrophobicContact CB-CD2 3.58Å; D182-F190 HydrophobicContact CB-CE2 4.16Å; D182-F190 HydrophobicContact CB-CG 3.65Å |
| 183 | F | 97.9 | Very high | 97.6 | Very high | 25 Ų | 25 | 49 Ų | 49 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.9 | -33.2 | 177.4 | 178.7 | -94.4 | 0 | 0 | 0 | 113.1 | R50 I51 E83 L84 V179 A180 H185 | R50-F183 HydrophobicContact CB-CE1 4.11Å; R50-F183 HydrophobicContact CB-CZ 4.37Å; R50-F183 VanDerWaalsContact NH2-CZ 3.3Å; I51-F183 HydrophobicContact CD1-CD1 3.67Å; I51-F183 HydrophobicContact CD1-CE1 4.14Å; I51-F183 HydrophobicContact CG1-CD1 3.72Å; I51-F183 HydrophobicContact CG1-CE1 3.72Å; E83-F183 HydrophobicContact CB-CE2 3.96Å; E83-F183 HydrophobicContact CB-CZ 3.6Å; E83-F183 HydrophobicContact CG-CZ 4.48Å; L84-F183 HydrophobicContact CB-CD2 4.09Å; L84-F183 HydrophobicContact CB-CE2 4.05Å; L84-F183 HydrophobicContact CB-CG 4.36Å; L84-F183 HydrophobicContact CB-CZ 4.29Å; L84-F183 HydrophobicContact CD1-CD2 4.26Å; L84-F183 HydrophobicContact CD2-CB 3.73Å; L84-F183 HydrophobicContact CD2-CD1 4.18Å; L84-F183 HydrophobicContact CD2-CD2 4.06Å; L84-F183 HydrophobicContact CD2-CG 3.72Å; L84-F183 HydrophobicContact CG-CD2 4.39Å; V179-F183 WeakPolarHBondContact O-CB 3.41Å; V179-F183 PolarHBondContact O-N 3.11Å; A180-F183 PolarHBondContact O-N 3.1Å; F183-H185 VanDerWaalsContact C-N 3.26Å; F183-H185 PolarHBondContact O-CD2 3.43Å; F183-H185 PolarHBondContact O-N 2.89Å |
| 184 | C | 97.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 49 Ų | 49 | 12% | 0.122 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 4.9 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 114.3 | A180 K181 D182 R186 | A180-C184 WeakPolarHBondContact O-CB 3.23Å; A180-C184 PolarHBondContact O-N 3.26Å; A180-C184 PolarHBondContact O-SG 3.44Å; K181-C184 CarbonylContact O-C 3.57Å; K181-C184 PolarHBondContact O-N 3.26Å; D182-C184 PolarHBondContact O-N 2.89Å; C184-R186 HydrophobicContact CB-CB 4.46Å; C184-R186 HydrophobicContact CB-CG 3.9Å; C184-R186 PolarHBondContact O-N 2.92Å |
| 185 | H | 96.2 | Very high | 97.5 | Very high | 173 Ų | 173 | 53.1 Ų | 53.1 | 80% | 0.801 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 28.4 | -173.7 | -58.7 | -123.8 | 0 | 0 | 0 | 112.8 | K181 D182 F183 | K181-H185 PolarHBondContact O-N 3.4Å; D182-H185 WeakPolarHBondContact O-CA 3.31Å; D182-H185 PolarHBondContact O-N 3.34Å; F183-H185 VanDerWaalsContact C-N 3.26Å; F183-H185 PolarHBondContact O-CD2 3.43Å; F183-H185 PolarHBondContact O-N 2.89Å |
| 186 | R | 96.4 | Very high | 97.5 | Very high | 128 Ų | 128 | 56.8 Ų | 56.8 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | trans | -101.8 | -3.7 | 178.9 | -63.6 | -179.9 | -173.4 | 162.9 | 6.4 | 113.1 | E46 K181 C184 | E46-R186 IonicContact OE1-CZ 3.64Å; E46-R186 IonicContact OE1-NH1 3.53Å; E46-R186 PolarHBondContact OE1-NH1 3.14Å; E46-R186 IonicContact OE1-NH2 3.91Å; E46-R186 PolarHBondContact OE1-NH2 2.77Å; K181-R186 HydrophobicContact CB-CB 4.31Å; K181-R186 WeakPolarHBondContact O-CA 3.5Å; K181-R186 PolarHBondContact O-N 3.1Å; C184-R186 HydrophobicContact CB-CB 4.46Å; C184-R186 HydrophobicContact CB-CG 3.9Å; C184-R186 PolarHBondContact O-N 2.92Å | ||
| 187 | N | 95.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | trans | -132.1 | 86.6 | 173.7 | -169.6 | -0 | 0 | 0 | 0 | 112.2 | K181 Q189 F190 D193 | K181-N187 HydrophobicContact CB-CB 3.77Å; K181-N187 PolarHBondContact O-N 2.86Å; N187-Q189 PolarHBondContact O-N 2.81Å; N187-Q189 PolarHBondContact OD1-N 2.85Å; N187-F190 PolarHBondContact O-N 2.72Å; N187-F190 PolarHBondContact OD1-N 2.79Å; N187-D193 PolarHBondContact ND2-OD2 2.82Å; N187-D193 PolarHBondContact OD1-OD2 3.17Å | ||
| 188 | P | 94.9 | Very high | 97.4 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 79% | 0.792 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.8 | 176.2 | 29.4 | -35 | 0 | 0 | 0 | 113.6 | ||
| 189 | Q | 96.5 | Very high | 97.3 | Very high | 101 Ų | 101 | 62.9 Ų | 62.9 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 20.6 | 179.6 | -62.1 | -62.9 | -6.7 | 0 | 0 | 112.4 | N187 Y191 N192 D193 | N187-Q189 PolarHBondContact O-N 2.81Å; N187-Q189 PolarHBondContact OD1-N 2.85Å; Q189-Y191 VanDerWaalsContact C-N 3.34Å; Q189-Y191 PolarHBondContact O-N 2.82Å; Q189-Y191 VanDerWaalsContact O-N 3.13Å; Q189-N192 HydrophobicContact CB-CB 4.46Å; Q189-N192 WeakPolarHBondContact O-CA 3.22Å; Q189-N192 WeakPolarHBondContact O-CB 3.33Å; Q189-N192 PolarHBondContact O-N 2.8Å; Q189-N192 PolarHBondContact OE1-ND2 3.28Å; Q189-D193 PolarHBondContact O-N 3.49Å |
| 190 | F | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 67 Ų | 67 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -42.9 | -52.5 | -174.3 | 171.9 | -110.4 | 0 | 0 | 0 | 114.4 | Y117 L178 V179 D182 N187 N192 D193 L194 | Y117-F190 AromaticContact CE1-CZ 3.87Å; Y117-F190 HydrophobicContact CE1-CZ 3.87Å; L178-F190 HydrophobicContact CB-CD2 4.04Å; L178-F190 HydrophobicContact CB-CE2 3.91Å; V179-F190 HydrophobicContact CG2-CE2 3.89Å; V179-F190 HydrophobicContact CG2-CZ 3.9Å; D182-F190 HydrophobicContact CB-CB 3.91Å; D182-F190 HydrophobicContact CB-CD1 4.3Å; D182-F190 HydrophobicContact CB-CD2 3.58Å; D182-F190 HydrophobicContact CB-CE2 4.16Å; D182-F190 HydrophobicContact CB-CG 3.65Å; N187-F190 PolarHBondContact O-N 2.72Å; N187-F190 PolarHBondContact OD1-N 2.79Å; F190-N192 PolarHBondContact O-N 2.65Å; F190-D193 PolarHBondContact O-N 3.02Å; F190-L194 HydrophobicContact CE1-CD2 4.4Å; F190-L194 HydrophobicContact CZ-CD2 4.18Å; F190-L194 WeakPolarHBondContact O-CB 3.26Å; F190-L194 PolarHBondContact O-N 2.97Å |
| 191 | Y | 96.9 | Very high | 97.2 | Very high | 148 Ų | 148 | 69.9 Ų | 69.9 | 58% | 0.58 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.1 | -35.9 | -179.3 | -69 | -72.4 | 0 | 0 | 0 | 113.3 | Q189 L195 | Q189-Y191 VanDerWaalsContact C-N 3.34Å; Q189-Y191 PolarHBondContact O-N 2.82Å; Q189-Y191 VanDerWaalsContact O-N 3.13Å; Y191-L195 WeakPolarHBondContact O-CD1 3.29Å; Y191-L195 VanDerWaalsContact O-CG 3.27Å; Y191-L195 WeakPolarHBondContact O-CG 3.4Å; Y191-L195 PolarHBondContact O-N 3.4Å |
| 192 | N | 97.7 | Very high | 97.2 | Very high | 94 Ų | 94 | 67.1 Ų | 67.1 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.2 | -49.3 | 176.9 | -72.5 | -30 | 0 | 0 | 0 | 110 | Q189 F190 L194 L195 S196 | Q189-N192 HydrophobicContact CB-CB 4.46Å; Q189-N192 WeakPolarHBondContact O-CA 3.22Å; Q189-N192 WeakPolarHBondContact O-CB 3.33Å; Q189-N192 PolarHBondContact O-N 2.8Å; Q189-N192 PolarHBondContact OE1-ND2 3.28Å; F190-N192 PolarHBondContact O-N 2.65Å; N192-L194 VanDerWaalsContact C-N 3.27Å; N192-L194 PolarHBondContact O-N 2.86Å; N192-L195 PolarHBondContact O-N 3.48Å; N192-L195 VanDerWaalsContact O-N 3.1Å; N192-S196 VanDerWaalsContact O-CB 3.31Å; N192-S196 WeakPolarHBondContact O-CB 3.39Å; N192-S196 PolarHBondContact O-N 3.29Å; N192-S196 PolarHBondContact O-OG 3.31Å; N192-S196 VanDerWaalsContact O-OG 3.06Å |
| 193 | D | 97.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 69.4 Ų | 69.4 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -39 | 178.3 | -66.7 | -5.5 | 0 | 0 | 0 | 111.7 | L178 N187 Q189 F190 L195 L197 | L178-D193 HydrophobicContact CD1-CB 4.31Å; L178-D193 HydrophobicContact CD2-CB 3.93Å; N187-D193 PolarHBondContact ND2-OD2 2.82Å; N187-D193 PolarHBondContact OD1-OD2 3.17Å; Q189-D193 PolarHBondContact O-N 3.49Å; F190-D193 PolarHBondContact O-N 3.02Å; D193-L195 VanDerWaalsContact C-N 3.28Å; D193-L195 PolarHBondContact O-N 3.28Å; D193-L197 WeakPolarHBondContact O-CG 3.41Å |
| 194 | L | 97.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64 | -33.3 | 178.2 | -174.7 | 68.9 | 0 | 0 | 0 | 112.6 | Y117 C159 A160 F175 L178 F190 N192 | Y117-L194 HydrophobicContact CD1-CD1 3.89Å; Y117-L194 HydrophobicContact CD1-CD2 3.91Å; Y117-L194 HydrophobicContact CE1-CD1 4.25Å; Y117-L194 HydrophobicContact CE1-CD2 3.71Å; C159-L194 HydrophobicContact CB-CD1 3.67Å; C159-L194 HydrophobicContact CB-CD2 3.92Å; C159-L194 HydrophobicContact CB-CG 3.51Å; A160-L194 WeakPolarHBondContact CB-O 3.33Å; A160-L194 PolarHBondContact N-O 2.94Å; F175-L194 HydrophobicContact CD1-CD1 3.43Å; F175-L194 VanDerWaalsContact CD1-CD1 3.43Å; F175-L194 HydrophobicContact CE1-CD1 3.57Å; F175-L194 HydrophobicContact CG-CD1 4.24Å; F175-L194 HydrophobicContact CZ-CD1 4.46Å; L178-L194 HydrophobicContact CD1-CD1 4.37Å; F190-L194 HydrophobicContact CE1-CD2 4.4Å; F190-L194 HydrophobicContact CZ-CD2 4.18Å; F190-L194 WeakPolarHBondContact O-CB 3.26Å; F190-L194 PolarHBondContact O-N 2.97Å; N192-L194 VanDerWaalsContact C-N 3.27Å; N192-L194 PolarHBondContact O-N 2.86Å |
| 195 | L | 97.9 | Very high | 97.2 | Very high | 96 Ų | 96 | 73 Ų | 73 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -91 | -25.7 | -178.1 | -69.2 | 171.5 | 0 | 0 | 0 | 113.2 | T158 Y191 N192 D193 | T158-L195 HydrophobicContact CG2-CD2 3.83Å; T158-L195 WeakPolarHBondContact O-CD2 3.41Å; Y191-L195 WeakPolarHBondContact O-CD1 3.29Å; Y191-L195 VanDerWaalsContact O-CG 3.27Å; Y191-L195 WeakPolarHBondContact O-CG 3.4Å; Y191-L195 PolarHBondContact O-N 3.4Å; N192-L195 PolarHBondContact O-N 3.48Å; N192-L195 VanDerWaalsContact O-N 3.1Å; D193-L195 VanDerWaalsContact C-N 3.28Å; D193-L195 PolarHBondContact O-N 3.28Å |
| 196 | S | 97.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -91 | -4.1 | -171.1 | 67.1 | 0 | 0 | 0 | 0 | 115 | N192 D198 | N192-S196 VanDerWaalsContact O-CB 3.31Å; N192-S196 WeakPolarHBondContact O-CB 3.39Å; N192-S196 PolarHBondContact O-N 3.29Å; N192-S196 PolarHBondContact O-OG 3.31Å; N192-S196 VanDerWaalsContact O-OG 3.06Å; S196-D198 PolarHBondContact O-N 2.79Å |
| 197 | L | 97.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | trans | -58.6 | 127.6 | 179.9 | -61.2 | 171.2 | 0 | 0 | 0 | 111 | A160 Y171 I174 F175 D193 D201 | A160-L197 HydrophobicContact CB-CB 3.65Å; A160-L197 HydrophobicContact CB-CD1 4.4Å; A160-L197 HydrophobicContact CB-CG 4.35Å; Y171-L197 HydrophobicContact CD1-CD1 4.26Å; Y171-L197 HydrophobicContact CE1-CB 4.38Å; Y171-L197 HydrophobicContact CE1-CD1 4.29Å; I174-L197 HydrophobicContact CB-CD1 4.36Å; I174-L197 HydrophobicContact CG2-CD1 3.56Å; I174-L197 HydrophobicContact CG2-CD2 3.9Å; I174-L197 HydrophobicContact CG2-CG 4.38Å; F175-L197 HydrophobicContact CD1-CD1 4.15Å; F175-L197 HydrophobicContact CE1-CD1 3.68Å; D193-L197 WeakPolarHBondContact O-CG 3.41Å; L197-D201 WeakPolarHBondContact CA-OD2 3.21Å; L197-D201 HydrophobicContact CD2-CB 4.1Å | ||
| 198 | D | 97.1 | Very high | 97.5 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | trans | -115 | 178.2 | 173.9 | 74.1 | 22.9 | 0 | 0 | 0 | 112.2 | S196 N200 D201 I202 | S196-D198 PolarHBondContact O-N 2.79Å; D198-N200 PolarHBondContact O-N 2.93Å; D198-N200 WeakPolarHBondContact OD1-CA 3.47Å; D198-N200 VanDerWaalsContact OD1-CB 3.28Å; D198-N200 WeakPolarHBondContact OD1-CB 3.32Å; D198-N200 PolarHBondContact OD1-N 3.1Å; D198-D201 PolarHBondContact N-OD2 2.99Å; D198-D201 WeakPolarHBondContact O-CB 3.44Å; D198-D201 PolarHBondContact O-N 3.08Å; D198-D201 PolarHBondContact OD1-N 3.38Å; D198-I202 WeakPolarHBondContact O-CG1 3.37Å; D198-I202 PolarHBondContact O-N 3.33Å | ||
| 199 | Q | 97.5 | Very high | 97.7 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -29.9 | -178.6 | -172.5 | 60.2 | 45.1 | 0 | 0 | 112.9 | T163 N164 D167 I202 E203 | T163-Q199 PolarHBondContact OG1-OE1 2.87Å; T163-Q199 VanDerWaalsContact OG1-OE1 3.09Å; N164-Q199 PolarHBondContact ND2-NE2 2.86Å; N164-Q199 PolarHBondContact ND2-OE1 3.3Å; D167-Q199 PolarHBondContact OD2-NE2 3.18Å; Q199-I202 PolarHBondContact O-N 3.18Å; Q199-E203 WeakPolarHBondContact O-CG 3.39Å; Q199-E203 PolarHBondContact O-N 2.98Å |
| 200 | N | 97.4 | Very high | 97.8 | Very high | 85 Ų | 85 | 58.1 Ų | 58.1 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 176.9 | 173 | 78.5 | 0 | 0 | 0 | 110.3 | D198 I202 E203 Q204 | D198-N200 PolarHBondContact O-N 2.93Å; D198-N200 WeakPolarHBondContact OD1-CA 3.47Å; D198-N200 VanDerWaalsContact OD1-CB 3.28Å; D198-N200 WeakPolarHBondContact OD1-CB 3.32Å; D198-N200 PolarHBondContact OD1-N 3.1Å; N200-I202 PolarHBondContact O-N 3.11Å; N200-E203 PolarHBondContact O-N 3.07Å; N200-Q204 WeakPolarHBondContact O-CB 3.4Å; N200-Q204 VanDerWaalsContact O-CG 3.29Å; N200-Q204 WeakPolarHBondContact O-CG 3.26Å; N200-Q204 PolarHBondContact O-N 2.87Å |
| 201 | D | 97.8 | Very high | 97.8 | Very high | 61 Ų | 61 | 62.2 Ų | 62.2 | 33% | 0.326 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 173 | -62 | -47.4 | 0 | 0 | 0 | 111.9 | L197 D198 Q204 M205 | L197-D201 WeakPolarHBondContact CA-OD2 3.21Å; L197-D201 HydrophobicContact CD2-CB 4.1Å; D198-D201 PolarHBondContact N-OD2 2.99Å; D198-D201 WeakPolarHBondContact O-CB 3.44Å; D198-D201 PolarHBondContact O-N 3.08Å; D198-D201 PolarHBondContact OD1-N 3.38Å; D201-Q204 PolarHBondContact O-N 3.14Å; D201-M205 WeakPolarHBondContact O-CB 3.41Å; D201-M205 PolarHBondContact O-N 2.71Å |
| 202 | I | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -43 | 177.7 | -54 | -45.9 | 0 | 0 | 0 | 111.8 | D167 V170 Y171 I174 D198 Q199 N200 M205 R206 | D167-I202 HydrophobicContact CB-CG2 3.7Å; D167-I202 VanDerWaalsContact CG-CG2 3.45Å; D167-I202 VanDerWaalsContact OD2-CG2 3.28Å; D167-I202 WeakPolarHBondContact OD2-CG2 3.44Å; V170-I202 HydrophobicContact CB-CG2 3.93Å; V170-I202 HydrophobicContact CG1-CG2 3.75Å; V170-I202 HydrophobicContact CG2-CG2 4.39Å; Y171-I202 HydrophobicContact CD1-CD1 4.04Å; Y171-I202 HydrophobicContact CD2-CD1 3.96Å; Y171-I202 HydrophobicContact CD2-CG1 4.35Å; Y171-I202 HydrophobicContact CE1-CD1 3.73Å; Y171-I202 HydrophobicContact CE1-CG1 4.39Å; Y171-I202 HydrophobicContact CE2-CD1 3.61Å; Y171-I202 HydrophobicContact CE2-CG1 3.63Å; Y171-I202 HydrophobicContact CG-CD1 4.16Å; Y171-I202 VanDerWaalsContact CZ-CD1 3.5Å; I174-I202 HydrophobicContact CD1-CD1 3.37Å; D198-I202 WeakPolarHBondContact O-CG1 3.37Å; D198-I202 PolarHBondContact O-N 3.33Å; Q199-I202 PolarHBondContact O-N 3.18Å; N200-I202 PolarHBondContact O-N 3.11Å; I202-M205 PolarHBondContact O-N 3.44Å; I202-R206 PolarHBondContact O-N 2.8Å; I202-R206 VanDerWaalsContact O-N 3.08Å |
| 203 | E | 97.5 | Very high | 97.9 | Very high | 93 Ų | 93 | 52 Ų | 52 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 175.9 | -73.1 | 176.7 | -176.7 | 0 | 0 | 111.6 | Q199 N200 R206 V207 | Q199-E203 WeakPolarHBondContact O-CG 3.39Å; Q199-E203 PolarHBondContact O-N 2.98Å; N200-E203 PolarHBondContact O-N 3.07Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 3.46Å; E203-V207 PolarHBondContact O-N 2.79Å |
| 204 | Q | 98 | Very high | 97.9 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 174.6 | -68.4 | -54 | -37.8 | 0 | 0 | 111.8 | N200 D201 R206 V207 Q208 | N200-Q204 WeakPolarHBondContact O-CB 3.4Å; N200-Q204 VanDerWaalsContact O-CG 3.29Å; N200-Q204 WeakPolarHBondContact O-CG 3.26Å; N200-Q204 PolarHBondContact O-N 2.87Å; D201-Q204 PolarHBondContact O-N 3.14Å; Q204-R206 VanDerWaalsContact C-N 3.31Å; Q204-R206 PolarHBondContact O-N 2.73Å; Q204-V207 WeakPolarHBondContact O-CB 3.31Å; Q204-V207 PolarHBondContact O-N 3.47Å; Q204-V207 VanDerWaalsContact O-N 3.16Å; Q204-Q208 WeakPolarHBondContact O-CB 3.48Å; Q204-Q208 PolarHBondContact O-N 2.66Å |
| 205 | M | 98.2 | Very high | 97.9 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 174.9 | -178.6 | 54.7 | 68.1 | 0 | 0 | 111.1 | V170 V173 I174 D201 I202 V207 Q208 M209 | V170-M205 HydrophobicContact CG1-CB 3.82Å; V170-M205 HydrophobicContact CG1-CG 3.65Å; V173-M205 HydrophobicContact CG1-SD 4.48Å; I174-M205 HydrophobicContact CD1-CB 3.88Å; I174-M205 HydrophobicContact CD1-CG 4.02Å; I174-M205 HydrophobicContact CG1-CB 4.09Å; I174-M205 HydrophobicContact CG1-CE 3.73Å; I174-M205 HydrophobicContact CG1-CG 3.7Å; I174-M205 HydrophobicContact CG1-SD 4.43Å; D201-M205 WeakPolarHBondContact O-CB 3.41Å; D201-M205 PolarHBondContact O-N 2.71Å; I202-M205 PolarHBondContact O-N 3.44Å; M205-V207 VanDerWaalsContact C-N 3.3Å; M205-V207 PolarHBondContact O-N 2.89Å; M205-Q208 PolarHBondContact O-N 3.04Å; M205-Q208 HydrophobicContact SD-CB 4.45Å; M205-M209 HydrophobicContact CG-CG 4.2Å; M205-M209 HydrophobicContact CG-SD 4.07Å; M205-M209 WeakPolarHBondContact O-CB 3.39Å; M205-M209 WeakPolarHBondContact O-CG 3.25Å; M205-M209 PolarHBondContact O-N 2.82Å; M205-M209 HydrophobicContact SD-CG 4.06Å |
| 206 | R | 98.2 | Very high | 97.8 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 175.3 | -73.2 | 177.7 | 171 | -75.5 | -3 | 112.8 | L20 L21 K22 K25 D167 V170 I202 E203 Q204 L210 | L20-R206 PolarHBondContact O-NH1 3.39Å; L20-R206 VanDerWaalsContact O-NH1 3.16Å; L21-R206 PolarHBondContact O-NH1 3.14Å; L21-R206 VanDerWaalsContact O-NH1 3.15Å; K22-R206 PolarHBondContact O-NH1 3.09Å; K22-R206 VanDerWaalsContact O-NH1 3.12Å; K25-R206 PolarHBondContact O-NH2 3.44Å; D167-R206 IonicContact OD1-CZ 2.58Å; D167-R206 VanDerWaalsContact OD1-CZ 3.29Å; D167-R206 IonicContact OD1-NE 2.75Å; D167-R206 PolarHBondContact OD1-NE 3.16Å; D167-R206 IonicContact OD1-NH2 2.96Å; D167-R206 PolarHBondContact OD1-NH2 2.86Å; V170-R206 HydrophobicContact CG1-CG 4.39Å; V170-R206 HydrophobicContact CG2-CG 3.9Å; I202-R206 PolarHBondContact O-N 2.8Å; I202-R206 VanDerWaalsContact O-N 3.08Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 3.46Å; Q204-R206 VanDerWaalsContact C-N 3.31Å; Q204-R206 PolarHBondContact O-N 2.73Å; R206-L210 PolarHBondContact O-N 3.2Å |
| 207 | V | 98.2 | Very high | 97.7 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 174.1 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | E203 Q204 M205 M209 L210 D211 | E203-V207 PolarHBondContact O-N 2.79Å; Q204-V207 WeakPolarHBondContact O-CB 3.31Å; Q204-V207 PolarHBondContact O-N 3.47Å; Q204-V207 VanDerWaalsContact O-N 3.16Å; M205-V207 VanDerWaalsContact C-N 3.3Å; M205-V207 PolarHBondContact O-N 2.89Å; V207-M209 VanDerWaalsContact C-N 3.26Å; V207-M209 PolarHBondContact O-N 3.02Å; V207-L210 WeakPolarHBondContact O-CB 3.47Å; V207-L210 PolarHBondContact O-N 2.9Å; V207-D211 PolarHBondContact O-N 3.16Å |
| 208 | Q | 98.2 | Very high | 97.6 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | 178.1 | -172.5 | 177.8 | 9.8 | 0 | 0 | 112.1 | Q204 M205 L210 D211 I212 | Q204-Q208 WeakPolarHBondContact O-CB 3.48Å; Q204-Q208 PolarHBondContact O-N 2.66Å; M205-Q208 PolarHBondContact O-N 3.04Å; M205-Q208 HydrophobicContact SD-CB 4.45Å; Q208-L210 VanDerWaalsContact C-N 3.33Å; Q208-L210 PolarHBondContact O-N 3.13Å; Q208-D211 PolarHBondContact O-N 3.01Å; Q208-I212 HydrophobicContact CG-CD1 3.98Å; Q208-I212 HydrophobicContact CG-CG1 4.44Å; Q208-I212 WeakPolarHBondContact O-CB 3.5Å; Q208-I212 VanDerWaalsContact O-CG1 3.26Å; Q208-I212 WeakPolarHBondContact O-CG1 3.48Å; Q208-I212 PolarHBondContact O-N 2.81Å |
| 209 | M | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.1 | -70.2 | 169.5 | 85.3 | 0 | 0 | 111.6 | L21 L27 I31 F35 V170 V173 M205 V207 I213 | L21-M209 HydrophobicContact CD1-CB 4.5Å; L21-M209 HydrophobicContact CD2-CB 4.05Å; L21-M209 HydrophobicContact CD2-CE 3.59Å; L21-M209 HydrophobicContact CD2-SD 4.05Å; L27-M209 HydrophobicContact CD1-CE 3.7Å; I31-M209 HydrophobicContact CG2-CE 3.84Å; F35-M209 HydrophobicContact CD2-CE 3.38Å; F35-M209 HydrophobicContact CE1-CB 4.24Å; F35-M209 HydrophobicContact CE1-CG 3.86Å; F35-M209 HydrophobicContact CE2-CB 3.82Å; F35-M209 HydrophobicContact CE2-CE 3.13Å; F35-M209 HydrophobicContact CE2-CG 3.72Å; F35-M209 HydrophobicContact CE2-SD 4.3Å; F35-M209 HydrophobicContact CG-CE 4.27Å; F35-M209 HydrophobicContact CZ-CB 3.37Å; F35-M209 HydrophobicContact CZ-CE 3.83Å; F35-M209 HydrophobicContact CZ-CG 3.35Å; F35-M209 HydrophobicContact CZ-SD 4.49Å; V170-M209 HydrophobicContact CG1-SD 4.41Å; V173-M209 HydrophobicContact CG2-CE 4.09Å; M205-M209 HydrophobicContact CG-CG 4.2Å; M205-M209 HydrophobicContact CG-SD 4.07Å; M205-M209 WeakPolarHBondContact O-CB 3.39Å; M205-M209 WeakPolarHBondContact O-CG 3.25Å; M205-M209 PolarHBondContact O-N 2.82Å; M205-M209 HydrophobicContact SD-CG 4.06Å; V207-M209 VanDerWaalsContact C-N 3.26Å; V207-M209 PolarHBondContact O-N 3.02Å; M209-I213 WeakPolarHBondContact O-CD1 3.46Å; M209-I213 WeakPolarHBondContact O-CG1 3.27Å; M209-I213 PolarHBondContact O-N 3.46Å |
| 210 | L | 98.1 | Very high | 97 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 174.8 | -74.1 | 164 | 0 | 0 | 0 | 111.6 | I18 L21 R206 V207 Q208 I212 I213 A214 | I18-L210 HydrophobicContact CG2-CD2 3.72Å; L21-L210 HydrophobicContact CB-CD1 4.37Å; L21-L210 HydrophobicContact CB-CD2 3.89Å; L21-L210 HydrophobicContact CB-CG 3.94Å; L21-L210 HydrophobicContact CD1-CD2 3.63Å; L21-L210 HydrophobicContact CD1-CG 3.98Å; L21-L210 HydrophobicContact CG-CD2 4.41Å; R206-L210 PolarHBondContact O-N 3.2Å; V207-L210 WeakPolarHBondContact O-CB 3.47Å; V207-L210 PolarHBondContact O-N 2.9Å; Q208-L210 VanDerWaalsContact C-N 3.33Å; Q208-L210 PolarHBondContact O-N 3.13Å; L210-I212 PolarHBondContact O-N 3.2Å; L210-I213 PolarHBondContact O-N 2.85Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-A214 PolarHBondContact O-N 2.92Å |
| 211 | D | 98.1 | Very high | 96.6 | Very high | 92 Ų | 92 | 57.9 Ų | 57.9 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | -180 | -68.3 | -20.1 | 0 | 0 | 0 | 112 | V207 Q208 A214 S215 | V207-D211 PolarHBondContact O-N 3.16Å; Q208-D211 PolarHBondContact O-N 3.01Å; D211-A214 PolarHBondContact O-N 3.24Å; D211-S215 VanDerWaalsContact O-CB 3.28Å; D211-S215 WeakPolarHBondContact O-CB 3.33Å; D211-S215 PolarHBondContact O-N 3.24Å; D211-S215 PolarHBondContact O-OG 3.34Å |
| 212 | I | 98.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 174.2 | -73.4 | 164.8 | 0 | 0 | 0 | 110.3 | F34 F35 Y38 Q208 L210 A214 S215 L216 | F34-I212 HydrophobicContact CE1-CG2 4.4Å; F34-I212 HydrophobicContact CZ-CG2 4.22Å; F35-I212 HydrophobicContact CE1-CD1 4.02Å; F35-I212 HydrophobicContact CE1-CG2 4.37Å; Y38-I212 HydrophobicContact CD1-CG2 4.21Å; Y38-I212 HydrophobicContact CD2-CG2 4.05Å; Y38-I212 HydrophobicContact CE1-CD1 3.97Å; Y38-I212 HydrophobicContact CE1-CG1 4.48Å; Y38-I212 HydrophobicContact CE1-CG2 3.95Å; Y38-I212 HydrophobicContact CE2-CG2 3.78Å; Y38-I212 HydrophobicContact CG-CG2 4.25Å; Q208-I212 HydrophobicContact CG-CD1 3.98Å; Q208-I212 HydrophobicContact CG-CG1 4.44Å; Q208-I212 WeakPolarHBondContact O-CB 3.5Å; Q208-I212 VanDerWaalsContact O-CG1 3.26Å; Q208-I212 WeakPolarHBondContact O-CG1 3.48Å; Q208-I212 PolarHBondContact O-N 2.81Å; L210-I212 PolarHBondContact O-N 3.2Å; I212-A214 PolarHBondContact O-N 3.4Å; I212-S215 PolarHBondContact O-N 3.28Å; I212-L216 HydrophobicContact CG2-CD1 4Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.22Å |
| 213 | I | 98.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | -179.8 | -67.8 | 162.4 | 0 | 0 | 0 | 110.8 | V5 L6 L13 I18 L21 F34 M209 L210 L216 K217 | V5-I213 HydrophobicContact CG1-CG2 4.43Å; L6-I213 HydrophobicContact CB-CG2 4.48Å; L6-I213 HydrophobicContact CD2-CG2 4.08Å; L13-I213 HydrophobicContact CD1-CD1 3.76Å; L13-I213 HydrophobicContact CD1-CG1 4Å; L13-I213 HydrophobicContact CD1-CG2 4.37Å; I18-I213 HydrophobicContact CD1-CD1 3.85Å; I18-I213 HydrophobicContact CD1-CG2 3.84Å; L21-I213 HydrophobicContact CD1-CD1 3.47Å; L21-I213 VanDerWaalsContact CD1-CD1 3.47Å; F34-I213 HydrophobicContact CD1-CD1 4.36Å; F34-I213 HydrophobicContact CD1-CG1 4.19Å; F34-I213 HydrophobicContact CE1-CD1 4Å; F34-I213 HydrophobicContact CE1-CG1 3.41Å; F34-I213 VanDerWaalsContact CE1-CG1 3.41Å; F34-I213 HydrophobicContact CE2-CG1 4.49Å; F34-I213 HydrophobicContact CZ-CG1 3.59Å; M209-I213 WeakPolarHBondContact O-CD1 3.46Å; M209-I213 WeakPolarHBondContact O-CG1 3.27Å; M209-I213 PolarHBondContact O-N 3.46Å; L210-I213 PolarHBondContact O-N 2.85Å; I213-L216 PolarHBondContact O-N 3.01Å; I213-K217 WeakPolarHBondContact O-CB 2.97Å; I213-K217 PolarHBondContact O-N 2.83Å |
| 214 | A | 97.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L210 D211 I212 L216 K217 E218 | L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-A214 PolarHBondContact O-N 2.92Å; D211-A214 PolarHBondContact O-N 3.24Å; I212-A214 PolarHBondContact O-N 3.4Å; A214-L216 PolarHBondContact O-N 3.05Å; A214-K217 WeakPolarHBondContact O-CB 2.96Å; A214-K217 PolarHBondContact O-N 2.86Å; A214-E218 PolarHBondContact O-N 3.18Å |
| 215 | S | 97.3 | Very high | 92.8 | Very high | 72 Ų | 72 | 68.5 Ų | 68.5 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | -180 | -59 | 0 | 0 | 0 | 0 | 112.2 | D211 I212 E218 K219 | D211-S215 VanDerWaalsContact O-CB 3.28Å; D211-S215 WeakPolarHBondContact O-CB 3.33Å; D211-S215 PolarHBondContact O-N 3.24Å; D211-S215 PolarHBondContact O-OG 3.34Å; I212-S215 PolarHBondContact O-N 3.28Å; S215-E218 PolarHBondContact O-N 2.81Å; S215-K219 WeakPolarHBondContact O-CB 3.35Å; S215-K219 PolarHBondContact O-N 3.39Å |
| 216 | L | 96.7 | Very high | 92.5 | Very high | 9 Ų | 9 | 71.2 Ų | 71.2 | 5% | 0.047 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 176 | -74.3 | 169.6 | 0 | 0 | 0 | 112 | L6 F8 F34 Y38 E42 I212 I213 A214 E218 K219 M220 | L6-L216 HydrophobicContact CD1-CB 4.4Å; L6-L216 HydrophobicContact CD2-CB 4.21Å; F8-L216 HydrophobicContact CD2-CD1 4.18Å; F8-L216 HydrophobicContact CD2-CD2 4.36Å; F8-L216 HydrophobicContact CE2-CD1 4.23Å; F8-L216 HydrophobicContact CE2-CD2 3.98Å; F34-L216 HydrophobicContact CE2-CD1 3.92Å; F34-L216 HydrophobicContact CZ-CD1 3.68Å; Y38-L216 HydrophobicContact CD2-CD1 3.7Å; Y38-L216 HydrophobicContact CE2-CD1 3.98Å; Y38-L216 HydrophobicContact CE2-CD2 4.48Å; Y38-L216 HydrophobicContact CE2-CG 4.5Å; E42-L216 HydrophobicContact CG-CD2 4.4Å; I212-L216 HydrophobicContact CG2-CD1 4Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.22Å; I213-L216 PolarHBondContact O-N 3.01Å; A214-L216 PolarHBondContact O-N 3.05Å; L216-E218 VanDerWaalsContact C-N 3.3Å; L216-E218 PolarHBondContact O-N 3.25Å; L216-K219 HydrophobicContact CD2-CD 4.46Å; L216-K219 PolarHBondContact O-N 3.14Å; L216-M220 WeakPolarHBondContact O-CB 3.46Å; L216-M220 VanDerWaalsContact O-CG 3.27Å; L216-M220 WeakPolarHBondContact O-CG 3.47Å; L216-M220 PolarHBondContact O-N 3.47Å |
| 217 | K | 95.2 | Very high | 92.2 | Very high | 79 Ų | 79 | 74.5 Ų | 74.5 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 175.5 | -175.7 | -178.5 | -177.7 | 177.9 | 0 | 111.2 | V5 L6 I213 A214 N221 | V5-K217 HydrophobicContact CG1-CD 4.34Å; V5-K217 WeakPolarHBondContact O-CD 3.49Å; V5-K217 WeakPolarHBondContact O-CE 3.44Å; L6-K217 HydrophobicContact CD1-CB 4.29Å; I213-K217 WeakPolarHBondContact O-CB 2.97Å; I213-K217 PolarHBondContact O-N 2.83Å; A214-K217 WeakPolarHBondContact O-CB 2.96Å; A214-K217 PolarHBondContact O-N 2.86Å; K217-N221 VanDerWaalsContact O-CG 3.23Å; K217-N221 PolarHBondContact O-N 3.06Å; K217-N221 VanDerWaalsContact O-N 3.09Å; K217-N221 PolarHBondContact O-ND2 2.79Å |
| 218 | E | 95.4 | Very high | 91.9 | Very high | 141 Ų | 141 | 74.8 Ų | 74.8 | 66% | 0.659 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.9 | -48.9 | 175.8 | -70.8 | -178.7 | 178.1 | 0 | 0 | 111.9 | A214 S215 L216 M220 N221 A222 | A214-E218 PolarHBondContact O-N 3.18Å; S215-E218 PolarHBondContact O-N 2.81Å; L216-E218 VanDerWaalsContact C-N 3.3Å; L216-E218 PolarHBondContact O-N 3.25Å; E218-M220 VanDerWaalsContact C-N 3.29Å; E218-M220 PolarHBondContact O-N 3.01Å; E218-N221 PolarHBondContact O-N 3.28Å; E218-A222 PolarHBondContact O-N 3.39Å |
| 219 | K | 93.8 | Very high | 91.5 | Very high | 113 Ų | 113 | 74.2 Ų | 74.2 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.6 | -43.5 | 177 | -173.4 | -174.8 | 179 | -170.3 | 0 | 111.9 | E42 S215 L216 A222 S223 | E42-K219 IonicContact OE1-NZ 3.13Å; E42-K219 PolarHBondContact OE1-NZ 3.28Å; E42-K219 IonicContact OE2-NZ 2.81Å; E42-K219 PolarHBondContact OE2-NZ 3.46Å; S215-K219 WeakPolarHBondContact O-CB 3.35Å; S215-K219 PolarHBondContact O-N 3.39Å; L216-K219 HydrophobicContact CD2-CD 4.46Å; L216-K219 PolarHBondContact O-N 3.14Å; K219-A222 PolarHBondContact O-N 2.76Å; K219-S223 PolarHBondContact O-N 3.26Å; K219-S223 VanDerWaalsContact O-N 3.15Å |
| 220 | M | 88.5 | Confident | 91.1 | Very high | 53 Ų | 53 | 78.8 Ų | 78.8 | 26% | 0.261 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -76.7 | -25.5 | -178.3 | -67.9 | -173.6 | 75 | 0 | 0 | 114.3 | L6 T7 F8 L216 E218 S223 K224 | L6-M220 HydrophobicContact CD1-SD 3.73Å; T7-M220 WeakPolarHBondContact O-CE 3.48Å; F8-M220 HydrophobicContact CD2-SD 4.27Å; L216-M220 WeakPolarHBondContact O-CB 3.46Å; L216-M220 VanDerWaalsContact O-CG 3.27Å; L216-M220 WeakPolarHBondContact O-CG 3.47Å; L216-M220 PolarHBondContact O-N 3.47Å; E218-M220 VanDerWaalsContact C-N 3.29Å; E218-M220 PolarHBondContact O-N 3.01Å; M220-S223 PolarHBondContact O-OG 2.93Å; M220-S223 VanDerWaalsContact O-OG 3.11Å; M220-K224 WeakPolarHBondContact O-CG 3.49Å |
| 221 | N | 88.6 | Confident | 90.6 | Very high | 87 Ų | 87 | 79.9 Ų | 79.9 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -75.6 | -37.6 | 171.8 | -72.2 | -21.6 | 0 | 0 | 0 | 110.9 | K217 E218 S223 K224 S225 | K217-N221 VanDerWaalsContact O-CG 3.23Å; K217-N221 PolarHBondContact O-N 3.06Å; K217-N221 VanDerWaalsContact O-N 3.09Å; K217-N221 PolarHBondContact O-ND2 2.79Å; E218-N221 PolarHBondContact O-N 3.28Å; N221-S223 VanDerWaalsContact C-N 3.34Å; N221-S223 PolarHBondContact O-N 3.35Å; N221-K224 PolarHBondContact O-N 3.43Å; N221-S225 PolarHBondContact O-N 3.3Å; N221-S225 PolarHBondContact O-OG 3.46Å |
| 222 | A | 89.4 | Confident | 90.1 | Very high | 65 Ų | 65 | 79 Ų | 79 | 54% | 0.537 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E218 K219 K224 S225 | E218-A222 PolarHBondContact O-N 3.39Å; K219-A222 PolarHBondContact O-N 2.76Å; A222-K224 VanDerWaalsContact C-N 3.26Å; A222-K224 PolarHBondContact O-N 2.84Å; A222-S225 PolarHBondContact O-N 2.71Å |
| 223 | S | 83.8 | Confident | 89.5 | Confident | 94 Ų | 94 | 83.5 Ų | 83.5 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.4 | 178 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | K219 M220 N221 | K219-S223 PolarHBondContact O-N 3.26Å; K219-S223 VanDerWaalsContact O-N 3.15Å; M220-S223 PolarHBondContact O-OG 2.93Å; M220-S223 VanDerWaalsContact O-OG 3.11Å; N221-S223 VanDerWaalsContact C-N 3.34Å; N221-S223 PolarHBondContact O-N 3.35Å |
| 224 | K | 76 | Confident | 88.7 | Confident | 162 Ų | 162 | 90 Ų | 90 | 70% | 0.704 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -9.7 | 175.9 | -70.7 | 175.1 | -177.6 | 174.7 | 0 | 113.4 | M220 N221 A222 | M220-K224 WeakPolarHBondContact O-CG 3.49Å; N221-K224 PolarHBondContact O-N 3.43Å; A222-K224 VanDerWaalsContact C-N 3.26Å; A222-K224 PolarHBondContact O-N 2.84Å |
| 225 | S | 63.1 | Low | 88 | Confident | 159 Ų | 159 | 94 Ų | 94 | 100% | 1.112 | 53% | 0.526 | S | S | * | . | trans | -95.1 | 0 | -178.6 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | N221 A222 | N221-S225 PolarHBondContact O-N 3.3Å; N221-S225 PolarHBondContact O-OG 3.46Å; A222-S225 PolarHBondContact O-N 2.71Å |
Retrieved 225 of 225 residues in 338.7 ms
(Link to these results)