| 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 | 95.7 | Very high | 95.7 | Very high | 33 Ų | 33 | 56.6 Ų | 56.6 | 16% | 0.163 | 31% | 0.305 | C | S | . | . | 0 | 143.3 | 0 | 69.9 | 81.4 | 173 | 0 | 0 | 109 | A3 L20 L25 I60 A99 E100 Q101 | M1-A3 HydrophobicContact CE-CB 4.06Å; M1-A3 HydrophobicContact SD-CB 3.87Å; M1-L20 HydrophobicContact CE-CB 3.99Å; M1-L20 HydrophobicContact CE-CD1 4.08Å; M1-L20 PolarHBondContact N-O 3.38Å; M1-L20 PolarHBondContact O-N 2.86Å; M1-L20 HydrophobicContact SD-CB 4.45Å; M1-L25 HydrophobicContact CE-CD2 3.74Å; M1-L25 HydrophobicContact CE-CG 4.41Å; M1-I60 HydrophobicContact CE-CD1 3.94Å; M1-A99 HydrophobicContact CE-CB 4.28Å; M1-A99 HydrophobicContact SD-CB 4.09Å; M1-E100 WeakPolarHBondContact CA-OE2 3.24Å; M1-E100 HydrophobicContact CB-CB 4.09Å; M1-Q101 HydrophobicContact CB-CG 4.41Å; M1-Q101 HydrophobicContact CG-CB 4.46Å | |||
| 2 | Q | 97.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 64.7 Ų | 64.7 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 137.2 | 175.1 | -67.5 | -74.8 | 71.7 | 0 | 0 | 110.8 | V17 Q18 T19 A99 E100 | Q2-V17 HydrophobicContact CB-CG1 4.43Å; Q2-Q18 WeakPolarHBondContact CA-O 3.42Å; Q2-Q18 VanDerWaalsContact OE1-C 3.29Å; Q2-Q18 PolarHBondContact OE1-O 2.83Å; Q2-T19 VanDerWaalsContact OE1-N 3.16Å; Q2-T19 PolarHBondContact OE1-OG1 3.23Å; Q2-A99 WeakPolarHBondContact O-CA 3.47Å; Q2-E100 HydrophobicContact CB-CG 4.18Å; Q2-E100 VanDerWaalsContact N-CD 3.29Å; Q2-E100 PolarHBondContact N-OE2 3.48Å; Q2-E100 PolarHBondContact O-N 3.47Å |
| 3 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 L5 V17 Q18 L20 I60 A99 | M1-A3 HydrophobicContact CE-CB 4.06Å; M1-A3 HydrophobicContact SD-CB 3.87Å; A3-L5 PolarHBondContact O-N 2.91Å; A3-V17 CarbonylContact O-C 3.59Å; A3-V17 VanDerWaalsContact O-CA 3.29Å; A3-V17 WeakPolarHBondContact O-CA 3.14Å; A3-Q18 PolarHBondContact N-O 3.19Å; A3-Q18 PolarHBondContact O-N 3.35Å; A3-L20 HydrophobicContact CB-CD1 3.88Å; A3-L20 HydrophobicContact CB-CG 4.39Å; A3-I60 HydrophobicContact CB-CD1 3.68Å; A3-I60 HydrophobicContact CB-CG1 4.19Å; A3-A99 HydrophobicContact CB-CB 3.52Å |
| 4 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 110.9 | 164.5 | -177.4 | 66.8 | 0 | 0 | 0 | 108.5 | A15 V17 I47 P61 L98 L300 A303 P304 | L4-A15 HydrophobicContact CD1-CB 4.21Å; L4-V17 HydrophobicContact CD1-CG2 4.16Å; L4-I47 HydrophobicContact CD2-CD1 3.93Å; L4-I47 HydrophobicContact CD2-CG1 4.05Å; L4-P61 HydrophobicContact CD2-CG 3.88Å; L4-P61 HydrophobicContact CG-CG 4.24Å; L4-P61 WeakPolarHBondContact O-CD 3.46Å; L4-L98 HydrophobicContact CB-CB 4.11Å; L4-L98 HydrophobicContact CD2-CD1 4.08Å; L4-L98 PolarHBondContact N-O 3.11Å; L4-L300 HydrophobicContact CB-CD1 3.92Å; L4-L300 HydrophobicContact CB-CG 4.42Å; L4-A303 HydrophobicContact CD2-CB 4.05Å; L4-P304 HydrophobicContact CD1-CG 3.92Å |
| 5 | L | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130 | 177.1 | -161 | 68 | 0 | 0 | 0 | 110.1 | A3 E7 A15 S16 Q18 L20 P58 I60 W95 | A3-L5 PolarHBondContact O-N 2.91Å; L5-E7 HydrophobicContact CD2-CG 3.98Å; L5-E7 HydrophobicContact CG-CG 4.19Å; L5-A15 WeakPolarHBondContact O-CA 3.28Å; L5-S16 PolarHBondContact N-O 2.87Å; L5-S16 PolarHBondContact O-N 2.59Å; L5-Q18 HydrophobicContact CB-CG 4.33Å; L5-L20 HydrophobicContact CD1-CD1 4.21Å; L5-P58 HydrophobicContact CD1-CB 3.95Å; L5-P58 HydrophobicContact CD2-CB 4.13Å; L5-P58 HydrophobicContact CG-CB 4.09Å; L5-I60 HydrophobicContact CD1-CG1 4.02Å; L5-W95 HydrophobicContact CD1-CZ2 4.39Å |
| 6 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.2 | 167.2 | -53.4 | -175.9 | 0 | 0 | 0 | 109 | T13 L14 A15 A46 I47 I54 F57 P58 M59 P61 | L6-T13 HydrophobicContact CB-CG2 4.1Å; L6-T13 HydrophobicContact CD1-CG2 4.4Å; L6-T13 HydrophobicContact CD2-CG2 4.19Å; L6-T13 HydrophobicContact CG-CG2 4.46Å; L6-L14 WeakPolarHBondContact CA-O 3.26Å; L6-A15 HydrophobicContact CD2-CB 3.44Å; L6-A15 VanDerWaalsContact CD2-CB 3.44Å; L6-A46 HydrophobicContact CD1-CB 4.4Å; L6-A46 WeakPolarHBondContact CD1-O 3.41Å; L6-I47 HydrophobicContact CD2-CB 4.47Å; L6-I47 HydrophobicContact CD2-CG1 4.34Å; L6-I54 HydrophobicContact CD1-CG1 4.16Å; L6-F57 HydrophobicContact CB-CD1 4.22Å; L6-F57 HydrophobicContact CB-CE1 3.99Å; L6-F57 WeakPolarHBondContact O-CD1 3.33Å; L6-P58 CarbonylContact O-C 3.08Å; L6-P58 VanDerWaalsContact O-CA 3.26Å; L6-P58 WeakPolarHBondContact O-CA 3.32Å; L6-M59 HydrophobicContact CB-CB 4.37Å; L6-M59 WeakPolarHBondContact CB-O 3.42Å; L6-M59 PolarHBondContact N-O 2.71Å; L6-M59 PolarHBondContact O-N 2.68Å; L6-P61 HydrophobicContact CD1-CB 3.84Å; L6-P61 HydrophobicContact CD1-CG 3.81Å; L6-P61 HydrophobicContact CD2-CG 4.12Å; L6-P61 HydrophobicContact CG-CB 4.35Å; L6-P61 HydrophobicContact CG-CG 3.78Å |
| 7 | E | 97.5 | Very high | 96.1 | Very high | 83 Ų | 83 | 59.3 Ų | 59.3 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 165.2 | 173.1 | -64.1 | -178.7 | 97.8 | 0 | 0 | 109.2 | L5 T13 L14 Q18 P58 | L5-E7 HydrophobicContact CD2-CG 3.98Å; L5-E7 HydrophobicContact CG-CG 4.19Å; E7-T13 CarbonylContact O-C 3.48Å; E7-T13 WeakPolarHBondContact O-CA 3.49Å; E7-L14 PolarHBondContact N-O 2.92Å; E7-L14 PolarHBondContact O-N 3.01Å; E7-Q18 PolarHBondContact OE2-NE2 3.06Å; E7-P58 HydrophobicContact CG-CB 4.25Å |
| 8 | Q | 94.1 | Very high | 96.2 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.9 | 178.5 | -165.7 | 174.9 | 40.7 | 0 | 0 | 110.8 | G11 K12 F57 | Q8-G11 PolarHBondContact NE2-O 3.06Å; Q8-K12 WeakPolarHBondContact CA-O 3.47Å; Q8-F57 HydrophobicContact CB-CB 4.44Å; Q8-F57 HydrophobicContact CB-CD1 4.17Å; Q8-F57 HydrophobicContact CB-CD2 4.04Å; Q8-F57 HydrophobicContact CB-CE1 4.44Å; Q8-F57 HydrophobicContact CB-CE2 4.33Å; Q8-F57 HydrophobicContact CB-CG 3.96Å |
| 9 | Q | 93.7 | Very high | 96.2 | Very high | 119 Ų | 119 | 61.7 Ų | 61.7 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.5 | 173.9 | -173.5 | 177.4 | 5.3 | 0 | 0 | 108.8 | G11 K12 L14 | Q9-G11 PolarHBondContact O-N 3.12Å; Q9-G11 VanDerWaalsContact O-N 3.13Å; Q9-K12 PolarHBondContact N-O 2.81Å; Q9-K12 WeakPolarHBondContact O-CB 3.45Å; Q9-K12 PolarHBondContact O-N 3Å; Q9-L14 HydrophobicContact CB-CD1 3.82Å |
| 10 | D | 91.3 | Very high | 96.2 | Very high | 151 Ų | 151 | 59 Ų | 59 | 81% | 0.807 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.7 | -179.8 | -56 | -40.9 | 0 | 0 | 0 | 113.8 | K12 | D10-K12 PolarHBondContact O-N 3.27Š|
| 11 | G | 88.7 | Confident | 96.2 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 61% | 0.608 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | -5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q8 Q9 | Q8-G11 PolarHBondContact NE2-O 3.06Å; Q9-G11 PolarHBondContact O-N 3.12Å; Q9-G11 VanDerWaalsContact O-N 3.13Å |
| 12 | K | 93.6 | Very high | 96.1 | Very high | 153 Ų | 153 | 62.7 Ų | 62.7 | 67% | 0.665 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.6 | 176.2 | -61.7 | -180 | -176.8 | 175.5 | 0 | 110.5 | Q8 Q9 D10 | Q8-K12 WeakPolarHBondContact CA-O 3.47Å; Q9-K12 PolarHBondContact N-O 2.81Å; Q9-K12 WeakPolarHBondContact O-CB 3.45Å; Q9-K12 PolarHBondContact O-N 3Å; D10-K12 PolarHBondContact O-N 3.27Å |
| 13 | T | 96.7 | Very high | 96 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 17% | 0.166 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.2 | 173 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | L6 E7 G49 F57 | L6-T13 HydrophobicContact CB-CG2 4.1Å; L6-T13 HydrophobicContact CD1-CG2 4.4Å; L6-T13 HydrophobicContact CD2-CG2 4.19Å; L6-T13 HydrophobicContact CG-CG2 4.46Å; E7-T13 CarbonylContact O-C 3.48Å; E7-T13 WeakPolarHBondContact O-CA 3.49Å; T13-G49 WeakPolarHBondContact OG1-CA 3.15Å; T13-F57 HydrophobicContact CG2-CE1 3.98Å; T13-F57 HydrophobicContact CG2-CZ 4.48Å |
| 14 | L | 97.1 | Very high | 95.9 | Very high | 78 Ų | 78 | 69 Ų | 69 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.9 | 174.5 | -59.4 | 178.4 | 0 | 0 | 0 | 108.1 | L6 E7 Q9 | L6-L14 WeakPolarHBondContact CA-O 3.26Å; E7-L14 PolarHBondContact N-O 2.92Å; E7-L14 PolarHBondContact O-N 3.01Å; Q9-L14 HydrophobicContact CB-CD1 3.82Å |
| 15 | A | 98 | Very high | 95.8 | Very high | 31 Ų | 31 | 69.5 Ų | 69.5 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L4 L5 L6 I47 P304 | L4-A15 HydrophobicContact CD1-CB 4.21Å; L5-A15 WeakPolarHBondContact O-CA 3.28Å; L6-A15 HydrophobicContact CD2-CB 3.44Å; L6-A15 VanDerWaalsContact CD2-CB 3.44Å; A15-I47 HydrophobicContact CB-CG2 3.9Å; A15-P304 HydrophobicContact CB-CB 4.41Å; A15-P304 HydrophobicContact CB-CG 4.1Å |
| 16 | S | 97.5 | Very high | 95.7 | Very high | 46 Ų | 46 | 71.1 Ų | 71.1 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 144.7 | 178.8 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | L5 Q18 | L5-S16 PolarHBondContact N-O 2.87Å; L5-S16 PolarHBondContact O-N 2.59Å; S16-Q18 PolarHBondContact OG-NE2 2.84Å |
| 17 | V | 98 | Very high | 95.6 | Very high | 50 Ų | 50 | 79.8 Ų | 79.8 | 30% | 0.303 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125 | 172.7 | -180 | 0 | 0 | 0 | 0 | 108.7 | Q2 A3 L4 L300 | Q2-V17 HydrophobicContact CB-CG1 4.43Å; A3-V17 CarbonylContact O-C 3.59Å; A3-V17 VanDerWaalsContact O-CA 3.29Å; A3-V17 WeakPolarHBondContact O-CA 3.14Å; L4-V17 HydrophobicContact CD1-CG2 4.16Å; V17-L300 HydrophobicContact CG1-CD2 4.11Å; V17-L300 HydrophobicContact CG2-CD2 4.4Å; V17-L300 HydrophobicContact CG2-CG 4Å |
| 18 | Q | 97.9 | Very high | 95.6 | Very high | 53 Ų | 53 | 77.1 Ų | 77.1 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153 | -176.2 | -60 | -173.9 | 17.7 | 0 | 0 | 111 | Q2 A3 L5 E7 S16 L20 | Q2-Q18 WeakPolarHBondContact CA-O 3.42Å; Q2-Q18 VanDerWaalsContact OE1-C 3.29Å; Q2-Q18 PolarHBondContact OE1-O 2.83Å; A3-Q18 PolarHBondContact N-O 3.19Å; A3-Q18 PolarHBondContact O-N 3.35Å; L5-Q18 HydrophobicContact CB-CG 4.33Å; E7-Q18 PolarHBondContact OE2-NE2 3.06Å; S16-Q18 PolarHBondContact OG-NE2 2.84Å; Q18-L20 HydrophobicContact CB-CD2 4.13Å |
| 19 | T | 97.6 | Very high | 95.8 | Very high | 111 Ų | 111 | 74 Ų | 74 | 68% | 0.681 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.1 | 169.3 | -52.9 | 0 | 0 | 0 | 0 | 109.5 | Q2 | Q2-T19 VanDerWaalsContact OE1-N 3.16Å; Q2-T19 PolarHBondContact OE1-OG1 3.23Å |
| 20 | L | 96.2 | Very high | 96.1 | Very high | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | trans | -120.5 | 150.1 | -180 | -53.9 | -174.1 | 0 | 0 | 0 | 111.3 | M1 A3 L5 Q18 I60 W95 | M1-L20 HydrophobicContact CE-CB 3.99Å; M1-L20 HydrophobicContact CE-CD1 4.08Å; M1-L20 PolarHBondContact N-O 3.38Å; M1-L20 PolarHBondContact O-N 2.86Å; M1-L20 HydrophobicContact SD-CB 4.45Å; A3-L20 HydrophobicContact CB-CD1 3.88Å; A3-L20 HydrophobicContact CB-CG 4.39Å; L5-L20 HydrophobicContact CD1-CD1 4.21Å; Q18-L20 HydrophobicContact CB-CD2 4.13Å; L20-I60 HydrophobicContact CD1-CD1 3.98Å; L20-W95 HydrophobicContact CD1-CH2 4.25Å; L20-W95 HydrophobicContact CD1-CZ3 4.09Å | ||
| 21 | D | 96.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 61.4 Ų | 61.4 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | trans | -77.1 | 140 | 168.5 | -167 | -76.8 | 0 | 0 | 0 | 110.5 | S23 R24 | D21-S23 PolarHBondContact O-N 3.37Å; D21-S23 WeakPolarHBondContact OD1-CB 3.45Å; D21-S23 PolarHBondContact OD1-N 2.75Å; D21-S23 PolarHBondContact OD1-OG 3.09Å; D21-R24 WeakPolarHBondContact O-CB 3.48Å; D21-R24 PolarHBondContact O-N 2.84Å | ||
| 22 | E | 93.5 | Very high | 96.9 | Very high | 66 Ų | 66 | 58.6 Ų | 58.6 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -60 | -28.9 | -179.4 | -173.5 | -176.1 | 151 | 0 | 0 | 112.3 | R24 L25 R103 | E22-R24 PolarHBondContact O-N 2.71Å; E22-R24 VanDerWaalsContact O-N 3.09Å; E22-L25 HydrophobicContact CG-CD1 4.03Å; E22-L25 WeakPolarHBondContact O-CB 3.43Å; E22-L25 WeakPolarHBondContact O-CG 3.47Å; E22-L25 PolarHBondContact O-N 2.97Å; E22-R103 IonicContact OE1-NH2 2.67Å |
| 23 | S | 95.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 53 Ų | 53 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -62.2 | -15 | 176.1 | 64 | 0 | 0 | 0 | 0 | 113.8 | D21 | D21-S23 PolarHBondContact O-N 3.37Å; D21-S23 WeakPolarHBondContact OD1-CB 3.45Å; D21-S23 PolarHBondContact OD1-N 2.75Å; D21-S23 PolarHBondContact OD1-OG 3.09Å |
| 24 | R | 96.2 | Very high | 97.2 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 41% | 0.408 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -80.1 | -16 | 174.4 | -64.8 | -173.6 | 61 | -172.9 | -6.1 | 113.6 | D21 E22 W95 | D21-R24 WeakPolarHBondContact O-CB 3.48Å; D21-R24 PolarHBondContact O-N 2.84Å; E22-R24 PolarHBondContact O-N 2.71Å; E22-R24 VanDerWaalsContact O-N 3.09Å; R24-W95 HydrophobicContact CB-CH2 4.02Å; R24-W95 HydrophobicContact CB-CZ3 3.99Å; R24-W95 WeakPolarHBondContact O-CZ3 3.33Å |
| 25 | L | 96.7 | Very high | 97.3 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -60.8 | 139.5 | 178.1 | -69.1 | 179.6 | 0 | 0 | 0 | 109.9 | M1 E22 W95 Q101 R103 | M1-L25 HydrophobicContact CE-CD2 3.74Å; M1-L25 HydrophobicContact CE-CG 4.41Å; E22-L25 HydrophobicContact CG-CD1 4.03Å; E22-L25 WeakPolarHBondContact O-CB 3.43Å; E22-L25 WeakPolarHBondContact O-CG 3.47Å; E22-L25 PolarHBondContact O-N 2.97Å; L25-W95 HydrophobicContact CD2-CE3 4Å; L25-W95 HydrophobicContact CD2-CZ3 4.46Å; L25-Q101 HydrophobicContact CD1-CB 4.04Å; L25-R103 HydrophobicContact CB-CB 4.14Å; L25-R103 HydrophobicContact CD1-CB 4.23Å |
| 26 | P | 97 | Very high | 97.3 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 164.7 | 176.8 | 29.3 | -37.8 | 0 | 0 | 0 | 111.7 | H94 W95 R103 | P26-H94 WeakPolarHBondContact CG-CE1 3.36Å; P26-H94 VanDerWaalsContact CG-NE2 3.27Å; P26-H94 WeakPolarHBondContact CG-NE2 3.49Å; P26-W95 HydrophobicContact CG-CB 3.97Å; P26-W95 HydrophobicContact CG-CG 4.36Å; P26-R103 WeakPolarHBondContact O-CD 3.4Å |
| 27 | E | 95.6 | Very high | 97.4 | Very high | 181 Ų | 181 | 48.5 Ų | 48.5 | 85% | 0.846 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 144.6 | 175.9 | -66.4 | -177 | 170.8 | 0 | 0 | 112.2 | H94 | E27-H94 PolarHBondContact O-CE1 2.94Š|
| 28 | G | 97.6 | Very high | 97.4 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | trans | 179.2 | 158.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R103 V104 | G28-R103 WeakPolarHBondContact O-CD 3.28Å; G28-V104 CarbonylContact C-O 3.52Å; G28-V104 WeakPolarHBondContact CA-O 3.22Å | ||
| 29 | D | 98.1 | Very high | 97.5 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -93.2 | -5 | -175.1 | 54.4 | 12.5 | 0 | 0 | 0 | 112.7 | S72 E73 D74 V104 K105 G106 | D29-S72 CarbonylContact O-C 3.59Å; D29-S72 VanDerWaalsContact O-CA 3.26Å; D29-S72 WeakPolarHBondContact O-CA 3.28Å; D29-S72 PolarHBondContact O-OG 3.35Å; D29-E73 HydrophobicContact CB-CB 4.28Å; D29-E73 PolarHBondContact O-N 3.48Å; D29-D74 HydrophobicContact CB-CB 4.41Å; D29-V104 PolarHBondContact N-O 3.4Å; D29-K105 WeakPolarHBondContact OD1-CA 3.18Å; D29-G106 PolarHBondContact OD1-N 2.84Å; D29-G106 PolarHBondContact OD2-N 2.71Å |
| 30 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 123.7 | 175.4 | -170.2 | 0 | 0 | 0 | 0 | 110.2 | V32 V69 S72 D74 F77 R103 V104 L109 | V30-V32 HydrophobicContact CG1-CG2 4.01Å; V30-V69 HydrophobicContact CG1-CB 4.5Å; V30-V69 HydrophobicContact CG1-CG1 3.91Å; V30-V69 HydrophobicContact CG1-CG2 3.92Å; V30-S72 WeakPolarHBondContact CG2-OG 3.33Å; V30-D74 HydrophobicContact CG2-CB 4.21Å; V30-F77 HydrophobicContact CG1-CB 4.48Å; V30-F77 HydrophobicContact CG2-CB 4.26Å; V30-F77 HydrophobicContact CG2-CD2 3.85Å; V30-F77 HydrophobicContact CG2-CG 4.23Å; V30-R103 WeakPolarHBondContact O-CA 3.21Å; V30-V104 PolarHBondContact N-O 2.8Å; V30-V104 VanDerWaalsContact N-O 3.09Å; V30-V104 PolarHBondContact O-N 2.56Å; V30-L109 HydrophobicContact CB-CD1 3.74Å; V30-L109 HydrophobicContact CG1-CD1 3.53Å; V30-L109 HydrophobicContact CG2-CD1 3.9Å |
| 31 | T | 98.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.7 | 169.7 | -56.1 | 0 | 0 | 0 | 0 | 109.3 | R70 T71 A102 R103 | T31-R70 HydrophobicContact CG2-CB 4.45Å; T31-R70 PolarHBondContact O-N 3.27Å; T31-T71 WeakPolarHBondContact CB-OG1 3.5Å; T31-T71 PolarHBondContact N-O 3.02Å; T31-T71 PolarHBondContact O-N 3.3Å; T31-A102 WeakPolarHBondContact CA-O 3.27Å; T31-R103 PolarHBondContact OG1-NE 3.32Å; T31-R103 VanDerWaalsContact OG1-NE 3.11Å |
| 32 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.5 | -174.9 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | V30 V34 F65 T68 V83 Q101 A102 L109 | V30-V32 HydrophobicContact CG1-CG2 4.01Å; V32-V34 PolarHBondContact O-N 3.09Å; V32-F65 HydrophobicContact CB-CE2 4.19Å; V32-F65 HydrophobicContact CG1-CD2 4.32Å; V32-F65 HydrophobicContact CG1-CE2 4.11Å; V32-F65 HydrophobicContact CG2-CE2 4.15Å; V32-T68 CarbonylContact C-O 3.57Å; V32-T68 WeakPolarHBondContact CA-O 3.49Å; V32-V83 HydrophobicContact CG1-CG2 3.92Å; V32-V83 HydrophobicContact CG2-CG2 3.83Å; V32-Q101 VanDerWaalsContact O-CA 3.32Å; V32-Q101 WeakPolarHBondContact O-CA 3.34Å; V32-A102 PolarHBondContact N-O 2.87Å; V32-A102 PolarHBondContact O-N 2.94Å; V32-L109 HydrophobicContact CG2-CD1 4.37Å; V32-L109 HydrophobicContact CG2-CD2 4.48Å |
| 33 | D | 98.7 | Very high | 97.8 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 19% | 0.193 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 109.3 | 164 | -72.2 | -31.7 | 0 | 0 | 0 | 108.5 | G67 T68 R70 Q101 | D33-G67 CarbonylContact O-C 3.55Å; D33-G67 VanDerWaalsContact O-CA 3.23Å; D33-G67 WeakPolarHBondContact O-CA 3.43Å; D33-T68 PolarHBondContact N-O 2.96Å; D33-T68 PolarHBondContact O-N 2.91Å; D33-R70 VanDerWaalsContact CG-NE 3.28Å; D33-R70 IonicContact OD1-CZ 3.84Å; D33-R70 IonicContact OD1-NE 2.84Å; D33-R70 PolarHBondContact OD1-NE 2.83Å; D33-R70 IonicContact OD1-NH2 3.27Å; D33-R70 PolarHBondContact OD1-NH2 2.96Å; D33-R70 IonicContact OD2-CZ 3.93Å; D33-R70 VanDerWaalsContact OD2-CZ 3.27Å; D33-R70 IonicContact OD2-NE 3.14Å; D33-R70 PolarHBondContact OD2-NE 3.34Å; D33-R70 VanDerWaalsContact OD2-NE 3.09Å; D33-R70 IonicContact OD2-NH2 2.92Å; D33-R70 PolarHBondContact OD2-NH2 3.49Å; D33-Q101 PolarHBondContact OD1-NE2 3.47Å |
| 34 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124 | -173.5 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | V32 W36 F65 A99 E100 A102 V323 | V32-V34 PolarHBondContact O-N 3.09Å; V34-W36 WeakPolarHBondContact CG1-O 3.38Å; V34-F65 HydrophobicContact CG1-CB 3.79Å; V34-F65 HydrophobicContact CG2-CB 4.11Å; V34-F65 HydrophobicContact CG2-CD2 4.25Å; V34-F65 HydrophobicContact CG2-CG 4.19Å; V34-A99 VanDerWaalsContact CB-O 3.22Å; V34-A99 WeakPolarHBondContact CB-O 3.36Å; V34-E100 PolarHBondContact N-O 3.11Å; V34-A102 HydrophobicContact CG2-CB 4Å; V34-V323 HydrophobicContact CG1-CB 4.26Å; V34-V323 HydrophobicContact CG1-CG1 4.41Å; V34-V323 HydrophobicContact CG1-CG2 3.98Å |
| 35 | H | 98.6 | Very high | 98 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 25% | 0.245 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -43 | 176.2 | -60.6 | 166 | 0 | 0 | 0 | 110.9 | A66 T68 V323 N324 | H35-A66 PolarHBondContact N-O 3.08Å; H35-T68 PolarHBondContact CE1-OG1 3.1Å; H35-V323 PolarHBondContact O-N 2.76Å; H35-N324 PolarHBondContact O-N 2.73Å |
| 36 | W | 98.8 | Very high | 98 | Very high | 34 Ų | 34 | 28.5 Ų | 28.5 | 13% | 0.129 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.5 | -174.5 | -61.6 | 94 | 0 | 0 | 0 | 111.2 | V34 F65 A66 R119 M122 E297 L320 V321 K322 | V34-W36 WeakPolarHBondContact CG1-O 3.38Å; W36-F65 CarbonylContact O-C 3.6Å; W36-F65 WeakPolarHBondContact O-CA 3.13Å; W36-A66 PolarHBondContact N-O 2.96Å; W36-A66 VanDerWaalsContact N-O 3.08Å; W36-A66 PolarHBondContact O-N 3.23Å; W36-R119 HydrophobicContact CD2-CB 4.17Å; W36-R119 HydrophobicContact CD2-CG 4.04Å; W36-R119 HydrophobicContact CE3-CG 4.27Å; W36-R119 HydrophobicContact CG-CB 4.41Å; W36-R119 HydrophobicContact CH2-CG 3.98Å; W36-R119 HydrophobicContact CZ2-CB 4.1Å; W36-R119 HydrophobicContact CZ2-CG 3.75Å; W36-R119 HydrophobicContact CZ3-CG 4.23Å; W36-M122 HydrophobicContact CB-CB 3.84Å; W36-M122 HydrophobicContact CB-CG 3.61Å; W36-M122 WeakPolarHBondContact O-CG 3.29Å; W36-E297 HydrophobicContact CH2-CG 4.39Å; W36-E297 HydrophobicContact CZ3-CG 3.94Å; W36-L320 HydrophobicContact CB-CD1 4.4Å; W36-L320 HydrophobicContact CD2-CD1 4.3Å; W36-L320 HydrophobicContact CE3-CD1 3.63Å; W36-L320 HydrophobicContact CE3-CD2 3.7Å; W36-L320 HydrophobicContact CE3-CG 3.57Å; W36-L320 HydrophobicContact CH2-CD2 4.29Å; W36-L320 HydrophobicContact CZ3-CD1 4.3Å; W36-L320 HydrophobicContact CZ3-CD2 3.5Å; W36-L320 VanDerWaalsContact CZ3-CD2 3.5Å; W36-L320 HydrophobicContact CZ3-CG 3.74Å; W36-V321 WeakPolarHBondContact CA-O 3.29Å; W36-K322 HydrophobicContact CE3-CB 4.01Å; W36-K322 HydrophobicContact CE3-CG 4.34Å; W36-K322 HydrophobicContact CH2-CB 3.99Å; W36-K322 HydrophobicContact CH2-CD 3.95Å; W36-K322 HydrophobicContact CH2-CG 3.88Å; W36-K322 HydrophobicContact CZ2-CG 4.39Å; W36-K322 HydrophobicContact CZ3-CB 3.49Å; W36-K322 VanDerWaalsContact CZ3-CB 3.49Å; W36-K322 HydrophobicContact CZ3-CD 4.34Å; W36-K322 HydrophobicContact CZ3-CG 3.85Å |
| 37 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | -175 | 166.5 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | D64 G97 V321 | S37-D64 WeakPolarHBondContact CB-O 3.48Å; S37-D64 PolarHBondContact OG-O 3.01Å; S37-G97 WeakPolarHBondContact CB-O 3.39Å; S37-V321 PolarHBondContact N-O 2.8Å; S37-V321 PolarHBondContact O-N 2.69Å |
| 38 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 159.9 | 176.1 | 94.2 | 0 | 0 | 0 | 0 | 111.1 | N40 D64 M122 R318 T319 | S38-N40 PolarHBondContact OG-ND2 2.61Å; S38-D64 PolarHBondContact OG-OD2 3.19Å; S38-M122 VanDerWaalsContact CB-O 3.28Å; S38-M122 WeakPolarHBondContact CB-O 3.44Å; S38-R318 PolarHBondContact OG-NH2 3.36Å; S38-T319 VanDerWaalsContact CA-O 3.3Å; S38-T319 WeakPolarHBondContact CA-O 3.47Å; S38-T319 WeakPolarHBondContact CB-O 3.37Å |
| 39 | L | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.9 | 168.1 | -60.2 | -177.5 | 0 | 0 | 0 | 110.7 | D43 I47 L98 I298 A303 F306 I310 T319 V321 | L39-D43 HydrophobicContact CD2-CB 4.06Å; L39-I47 HydrophobicContact CD2-CD1 3.76Å; L39-L98 HydrophobicContact CD2-CD1 3.75Å; L39-L98 HydrophobicContact CD2-CD2 4.22Å; L39-I298 HydrophobicContact CD1-CD1 4.04Å; L39-A303 HydrophobicContact CD1-CB 4.18Å; L39-A303 HydrophobicContact CD2-CB 4.36Å; L39-F306 HydrophobicContact CD1-CB 3.75Å; L39-I310 HydrophobicContact CB-CD1 3.69Å; L39-I310 HydrophobicContact CD1-CD1 4.38Å; L39-T319 HydrophobicContact CB-CG2 4.21Å; L39-T319 HydrophobicContact CD1-CG2 4.06Å; L39-T319 HydrophobicContact CG-CG2 4.22Å; L39-T319 PolarHBondContact N-O 3.18Å; L39-V321 HydrophobicContact CD2-CG2 4.31Å; L39-V321 HydrophobicContact CG-CG2 3.93Å |
| 40 | N | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.053 | 12% | 0.117 | C | C | . | . | trans | -99.5 | 170.1 | 169.4 | -55.2 | -81.4 | 0 | 0 | 0 | 110.4 | S38 K42 D43 A44 I63 D64 A127 R318 | S38-N40 PolarHBondContact OG-ND2 2.61Å; N40-K42 PolarHBondContact O-N 3.37Å; N40-D43 WeakPolarHBondContact CA-OD2 3.37Å; N40-D43 WeakPolarHBondContact CB-OD2 3.45Å; N40-D43 PolarHBondContact N-OD2 2.76Å; N40-D43 PolarHBondContact ND2-OD2 3.33Å; N40-D43 PolarHBondContact O-N 2.66Å; N40-D43 VanDerWaalsContact O-N 3.12Å; N40-A44 PolarHBondContact O-N 2.78Å; N40-I63 HydrophobicContact CB-CD1 3.97Å; N40-I63 WeakPolarHBondContact ND2-CG1 3.23Å; N40-D64 PolarHBondContact ND2-OD2 3.05Å; N40-A127 PolarHBondContact OD1-N 3.34Å; N40-R318 PolarHBondContact OD1-NH1 3.25Å; N40-R318 PolarHBondContact OD1-NH2 3.06Å | ||
| 41 | Y | 96.5 | Very high | 97.2 | Very high | 89 Ų | 89 | 26.1 Ų | 26.1 | 35% | 0.349 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.1 | -35.9 | 174.3 | -172.6 | -101 | 0 | 0 | 0 | 112 | A44 L45 L242 I310 I311 | Y41-A44 PolarHBondContact O-N 3.46Å; Y41-L45 HydrophobicContact CD1-CD1 3.9Å; Y41-L45 HydrophobicContact CD1-CG 4.29Å; Y41-L45 HydrophobicContact CE1-CD1 3.64Å; Y41-L45 HydrophobicContact CE1-CD2 4.4Å; Y41-L45 HydrophobicContact CE1-CG 4.04Å; Y41-L45 WeakPolarHBondContact O-CG 3.08Å; Y41-L45 PolarHBondContact O-N 2.83Å; Y41-L242 HydrophobicContact CE1-CD1 4.02Å; Y41-I310 HydrophobicContact CD2-CG2 4.08Å; Y41-I311 HydrophobicContact CD2-CD1 4.25Å; Y41-I311 HydrophobicContact CE2-CD1 3.87Å |
| 42 | K | 96.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.1 | -171.8 | -174.8 | -76.5 | -160.3 | 0 | 112.6 | N40 A44 L45 A46 I53 I63 E92 | N40-K42 PolarHBondContact O-N 3.37Å; K42-A44 VanDerWaalsContact C-N 3.28Å; K42-A44 PolarHBondContact O-N 2.92Å; K42-L45 WeakPolarHBondContact O-CB 3.48Å; K42-L45 PolarHBondContact O-N 3.06Å; K42-A46 PolarHBondContact O-N 3Å; K42-I53 HydrophobicContact CD-CG2 4.42Å; K42-I53 HydrophobicContact CG-CD1 4.47Å; K42-I53 HydrophobicContact CG-CG2 4Å; K42-I63 HydrophobicContact CB-CD1 4.27Å; K42-I63 HydrophobicContact CD-CD1 4.33Å; K42-I63 HydrophobicContact CD-CG2 4.05Å; K42-E92 VanDerWaalsContact CD-CD 3.42Å; K42-E92 HydrophobicContact CD-CG 3.92Å; K42-E92 WeakPolarHBondContact CD-OE2 3.31Å; K42-E92 WeakPolarHBondContact CE-OE2 3.43Å; K42-E92 IonicContact NZ-OE1 3.17Å; K42-E92 PolarHBondContact NZ-OE1 2.89Å; K42-E92 IonicContact NZ-OE2 2.83Å; K42-E92 PolarHBondContact NZ-OE2 3.03Å |
| 43 | D | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 174.2 | -57.3 | -64.2 | 0 | 0 | 0 | 110.7 | L39 N40 L45 A46 I47 G62 I63 | L39-D43 HydrophobicContact CD2-CB 4.06Å; N40-D43 WeakPolarHBondContact CA-OD2 3.37Å; N40-D43 WeakPolarHBondContact CB-OD2 3.45Å; N40-D43 PolarHBondContact N-OD2 2.76Å; N40-D43 PolarHBondContact ND2-OD2 3.33Å; N40-D43 PolarHBondContact O-N 2.66Å; N40-D43 VanDerWaalsContact O-N 3.12Å; D43-L45 VanDerWaalsContact C-N 3.34Å; D43-L45 PolarHBondContact O-N 3.06Å; D43-A46 PolarHBondContact O-N 3.46Å; D43-I47 HydrophobicContact CB-CD1 4.43Å; D43-I47 WeakPolarHBondContact O-CB 3.41Å; D43-I47 WeakPolarHBondContact O-CD1 3.02Å; D43-I47 VanDerWaalsContact O-CG1 3.23Å; D43-I47 WeakPolarHBondContact O-CG1 3.42Å; D43-I47 PolarHBondContact O-N 2.9Å; D43-G62 WeakPolarHBondContact OD1-CA 3.34Å; D43-G62 PolarHBondContact OD1-N 3.05Å; D43-I63 WeakPolarHBondContact OD1-CG2 3.32Å; D43-I63 PolarHBondContact OD1-N 3.13Å |
| 44 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N40 Y41 K42 T48 A307 I310 I311 | N40-A44 PolarHBondContact O-N 2.78Å; Y41-A44 PolarHBondContact O-N 3.46Å; K42-A44 VanDerWaalsContact C-N 3.28Å; K42-A44 PolarHBondContact O-N 2.92Å; A44-T48 WeakPolarHBondContact O-CB 3.42Å; A44-T48 VanDerWaalsContact O-CG2 3.28Å; A44-T48 WeakPolarHBondContact O-CG2 3.37Å; A44-T48 PolarHBondContact O-N 3.09Å; A44-T48 PolarHBondContact O-OG1 3.04Å; A44-A307 HydrophobicContact CB-CB 4.13Å; A44-I310 HydrophobicContact CB-CB 3.79Å; A44-I310 HydrophobicContact CB-CD1 4.31Å; A44-I310 HydrophobicContact CB-CG2 3.59Å; A44-I311 HydrophobicContact CB-CD1 3.78Å; A44-I311 HydrophobicContact CB-CG1 3.9Å |
| 45 | L | 96.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 172.6 | -74.1 | 175.5 | 0 | 0 | 0 | 111.6 | Y41 K42 D43 T48 G49 K50 I53 I311 | Y41-L45 HydrophobicContact CD1-CD1 3.9Å; Y41-L45 HydrophobicContact CD1-CG 4.29Å; Y41-L45 HydrophobicContact CE1-CD1 3.64Å; Y41-L45 HydrophobicContact CE1-CD2 4.4Å; Y41-L45 HydrophobicContact CE1-CG 4.04Å; Y41-L45 WeakPolarHBondContact O-CG 3.08Å; Y41-L45 PolarHBondContact O-N 2.83Å; K42-L45 WeakPolarHBondContact O-CB 3.48Å; K42-L45 PolarHBondContact O-N 3.06Å; D43-L45 VanDerWaalsContact C-N 3.34Å; D43-L45 PolarHBondContact O-N 3.06Å; L45-T48 PolarHBondContact O-OG1 3.22Å; L45-G49 CarbonylContact O-C 3.53Å; L45-G49 PolarHBondContact O-N 3.14Å; L45-K50 CarbonylContact C-O 3.58Å; L45-K50 WeakPolarHBondContact CB-O 3.39Å; L45-K50 HydrophobicContact CD2-CB 3.73Å; L45-K50 PolarHBondContact O-N 3.06Å; L45-I53 HydrophobicContact CB-CD1 4.39Å; L45-I53 HydrophobicContact CB-CG1 3.62Å; L45-I53 HydrophobicContact CD1-CD1 4.1Å; L45-I53 HydrophobicContact CD1-CG1 4.24Å; L45-I311 HydrophobicContact CD2-CD1 3.63Å; L45-I311 HydrophobicContact CG-CD1 3.86Å |
| 46 | A | 97.6 | Very high | 96 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -51.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L6 K42 D43 T48 G49 I53 I54 | L6-A46 HydrophobicContact CD1-CB 4.4Å; L6-A46 WeakPolarHBondContact CD1-O 3.41Å; K42-A46 PolarHBondContact O-N 3Å; D43-A46 PolarHBondContact O-N 3.46Å; A46-T48 PolarHBondContact O-N 3.09Å; A46-G49 PolarHBondContact O-N 2.76Å; A46-I53 HydrophobicContact CB-CB 4.27Å; A46-I53 HydrophobicContact CB-CG2 4.23Å; A46-I54 HydrophobicContact CB-CD1 3.82Å; A46-I54 HydrophobicContact CB-CG1 3.75Å |
| 47 | I | 98.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | -177.4 | -67.2 | 164.4 | 0 | 0 | 0 | 111.6 | L4 L6 A15 L39 D43 G49 P61 L98 P304 A307 | L4-I47 HydrophobicContact CD2-CD1 3.93Å; L4-I47 HydrophobicContact CD2-CG1 4.05Å; L6-I47 HydrophobicContact CD2-CB 4.47Å; L6-I47 HydrophobicContact CD2-CG1 4.34Å; A15-I47 HydrophobicContact CB-CG2 3.9Å; L39-I47 HydrophobicContact CD2-CD1 3.76Å; D43-I47 HydrophobicContact CB-CD1 4.43Å; D43-I47 WeakPolarHBondContact O-CB 3.41Å; D43-I47 WeakPolarHBondContact O-CD1 3.02Å; D43-I47 VanDerWaalsContact O-CG1 3.23Å; D43-I47 WeakPolarHBondContact O-CG1 3.42Å; D43-I47 PolarHBondContact O-N 2.9Å; I47-G49 VanDerWaalsContact C-N 3.29Å; I47-G49 PolarHBondContact O-N 3.02Å; I47-P61 HydrophobicContact CD1-CG 4.45Å; I47-P61 HydrophobicContact CG1-CB 4.17Å; I47-P61 HydrophobicContact CG1-CG 3.88Å; I47-L98 HydrophobicContact CD1-CD1 3.94Å; I47-P304 HydrophobicContact CG2-CB 4.39Å; I47-A307 HydrophobicContact CB-CB 3.78Å; I47-A307 HydrophobicContact CD1-CB 4.04Å; I47-A307 HydrophobicContact CG2-CB 3.63Å |
| 48 | T | 96.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.9 | 178.8 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | A44 L45 A46 K50 A307 E308 I311 | A44-T48 WeakPolarHBondContact O-CB 3.42Å; A44-T48 VanDerWaalsContact O-CG2 3.28Å; A44-T48 WeakPolarHBondContact O-CG2 3.37Å; A44-T48 PolarHBondContact O-N 3.09Å; A44-T48 PolarHBondContact O-OG1 3.04Å; L45-T48 PolarHBondContact O-OG1 3.22Å; A46-T48 PolarHBondContact O-N 3.09Å; T48-K50 PolarHBondContact O-N 3Å; T48-A307 HydrophobicContact CG2-CB 4.14Å; T48-E308 HydrophobicContact CG2-CG 3.97Å; T48-I311 HydrophobicContact CG2-CG1 4.31Å |
| 49 | G | 95.3 | Very high | 95.7 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 6.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T13 L45 A46 I47 | T13-G49 WeakPolarHBondContact OG1-CA 3.15Å; L45-G49 CarbonylContact O-C 3.53Å; L45-G49 PolarHBondContact O-N 3.14Å; A46-G49 PolarHBondContact O-N 2.76Å; I47-G49 VanDerWaalsContact C-N 3.29Å; I47-G49 PolarHBondContact O-N 3.02Å |
| 50 | K | 92.7 | Very high | 95.7 | Very high | 102 Ų | 102 | 52.1 Ų | 52.1 | 44% | 0.443 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -80.4 | 151.1 | 178.3 | -70.3 | 174.4 | 178.4 | 178.3 | 0 | 110.6 | L45 T48 K52 I311 | L45-K50 CarbonylContact C-O 3.58Å; L45-K50 WeakPolarHBondContact CB-O 3.39Å; L45-K50 HydrophobicContact CD2-CB 3.73Å; L45-K50 PolarHBondContact O-N 3.06Å; T48-K50 PolarHBondContact O-N 3Å; K50-K52 VanDerWaalsContact C-N 3.25Å; K50-K52 PolarHBondContact O-N 3.23Å; K50-I311 HydrophobicContact CD-CG2 3.76Å |
| 51 | G | 87.3 | Confident | 95.7 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 61% | 0.608 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | 75 | -0.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | I53 | G51-I53 VanDerWaalsContact C-N 3.26Å; G51-I53 PolarHBondContact O-N 3.45Å |
| 52 | K | 90.2 | Very high | 95.8 | Very high | 183 Ų | 183 | 47.4 Ų | 47.4 | 80% | 0.796 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | 53.9 | 39.5 | 178.6 | -58.5 | -177.7 | 177.6 | -178.4 | 0 | 113.4 | K50 | K50-K52 VanDerWaalsContact C-N 3.25Å; K50-K52 PolarHBondContact O-N 3.23Å |
| 53 | I | 93.2 | Very high | 95.9 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | trans | -64.4 | -49 | 177.6 | -55.3 | -56.7 | 0 | 0 | 0 | 110.2 | K42 L45 A46 G51 E92 | K42-I53 HydrophobicContact CD-CG2 4.42Å; K42-I53 HydrophobicContact CG-CD1 4.47Å; K42-I53 HydrophobicContact CG-CG2 4Å; L45-I53 HydrophobicContact CB-CD1 4.39Å; L45-I53 HydrophobicContact CB-CG1 3.62Å; L45-I53 HydrophobicContact CD1-CD1 4.1Å; L45-I53 HydrophobicContact CD1-CG1 4.24Å; A46-I53 HydrophobicContact CB-CB 4.27Å; A46-I53 HydrophobicContact CB-CG2 4.23Å; G51-I53 VanDerWaalsContact C-N 3.26Å; G51-I53 PolarHBondContact O-N 3.45Å; I53-E92 HydrophobicContact CG2-CG 4.04Å | ||
| 54 | I | 95.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | trans | -87.2 | 127.9 | 179.4 | -52.2 | -50 | 0 | 0 | 0 | 110 | L6 A46 N56 F57 M59 G91 | L6-I54 HydrophobicContact CD1-CG1 4.16Å; A46-I54 HydrophobicContact CB-CD1 3.82Å; A46-I54 HydrophobicContact CB-CG1 3.75Å; I54-N56 WeakPolarHBondContact CG2-O 3.49Å; I54-F57 HydrophobicContact CB-CE1 4.31Å; I54-F57 HydrophobicContact CB-CE2 4.17Å; I54-F57 HydrophobicContact CB-CZ 3.79Å; I54-F57 HydrophobicContact CG2-CD1 4.25Å; I54-F57 HydrophobicContact CG2-CD2 4.17Å; I54-F57 HydrophobicContact CG2-CE1 3.88Å; I54-F57 HydrophobicContact CG2-CE2 3.79Å; I54-F57 HydrophobicContact CG2-CG 4.38Å; I54-F57 HydrophobicContact CG2-CZ 3.64Å; I54-M59 HydrophobicContact CD1-CG 3.91Å; I54-M59 HydrophobicContact CG1-CG 4.31Å; I54-M59 HydrophobicContact CG2-CB 3.81Å; I54-M59 HydrophobicContact CG2-CE 4.37Å; I54-M59 HydrophobicContact CG2-CG 4.03Å; I54-G91 WeakPolarHBondContact CD1-O 3.48Å | ||
| 55 | R | 93.4 | Very high | 95.9 | Very high | 217 Ų | 217 | 45.1 Ų | 45.1 | 82% | 0.819 | 24% | 0.235 | S | C | * | . | trans | -107.7 | -25.2 | 176 | -63.4 | -175.5 | -180 | -176.5 | 0.5 | 113.4 | ||||
| 56 | N | 94.6 | Very high | 96 | Very high | 106 Ų | 106 | 44.1 Ų | 44.1 | 57% | 0.567 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -118.7 | 126.5 | -177.1 | -60 | -41.1 | 0 | 0 | 0 | 109.3 | I54 | I54-N56 WeakPolarHBondContact CG2-O 3.49Š|
| 57 | F | 96.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 44 Ų | 44 | 25% | 0.254 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -119.6 | 148.8 | 176.2 | -67.8 | -92.6 | 0 | 0 | 0 | 109.4 | L6 Q8 T13 I54 | L6-F57 HydrophobicContact CB-CD1 4.22Å; L6-F57 HydrophobicContact CB-CE1 3.99Å; L6-F57 WeakPolarHBondContact O-CD1 3.33Å; Q8-F57 HydrophobicContact CB-CB 4.44Å; Q8-F57 HydrophobicContact CB-CD1 4.17Å; Q8-F57 HydrophobicContact CB-CD2 4.04Å; Q8-F57 HydrophobicContact CB-CE1 4.44Å; Q8-F57 HydrophobicContact CB-CE2 4.33Å; Q8-F57 HydrophobicContact CB-CG 3.96Å; T13-F57 HydrophobicContact CG2-CE1 3.98Å; T13-F57 HydrophobicContact CG2-CZ 4.48Å; I54-F57 HydrophobicContact CB-CE1 4.31Å; I54-F57 HydrophobicContact CB-CE2 4.17Å; I54-F57 HydrophobicContact CB-CZ 3.79Å; I54-F57 HydrophobicContact CG2-CD1 4.25Å; I54-F57 HydrophobicContact CG2-CD2 4.17Å; I54-F57 HydrophobicContact CG2-CE1 3.88Å; I54-F57 HydrophobicContact CG2-CE2 3.79Å; I54-F57 HydrophobicContact CG2-CG 4.38Å; I54-F57 HydrophobicContact CG2-CZ 3.64Å |
| 58 | P | 96.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 45 Ų | 45 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | S | Bend | cis | -72.9 | 152.7 | -2.2 | 32.5 | -36.6 | 0 | 0 | 0 | 112.9 | L5 L6 E7 W95 | L5-P58 HydrophobicContact CD1-CB 3.95Å; L5-P58 HydrophobicContact CD2-CB 4.13Å; L5-P58 HydrophobicContact CG-CB 4.09Å; L6-P58 CarbonylContact O-C 3.08Å; L6-P58 VanDerWaalsContact O-CA 3.26Å; L6-P58 WeakPolarHBondContact O-CA 3.32Å; E7-P58 HydrophobicContact CG-CB 4.25Å; P58-W95 HydrophobicContact CG-CZ2 4.42Å; P58-W95 PolarHBondContact O-NE1 3.2Å; P58-W95 VanDerWaalsContact O-NE1 3.12Å |
| 59 | M | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -133.6 | 135.3 | -176.8 | 175 | 61.1 | 68.9 | 0 | 0 | 111.2 | L6 I54 E92 | L6-M59 HydrophobicContact CB-CB 4.37Å; L6-M59 WeakPolarHBondContact CB-O 3.42Å; L6-M59 PolarHBondContact N-O 2.71Å; L6-M59 PolarHBondContact O-N 2.68Å; I54-M59 HydrophobicContact CD1-CG 3.91Å; I54-M59 HydrophobicContact CG1-CG 4.31Å; I54-M59 HydrophobicContact CG2-CB 3.81Å; I54-M59 HydrophobicContact CG2-CE 4.37Å; I54-M59 HydrophobicContact CG2-CG 4.03Å; M59-E92 WeakPolarHBondContact CE-O 3.38Å |
| 60 | I | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -89.5 | 116.3 | 161 | -61.2 | 179.5 | 0 | 0 | 0 | 107.6 | M1 A3 L5 L20 W95 G96 A99 | M1-I60 HydrophobicContact CE-CD1 3.94Å; A3-I60 HydrophobicContact CB-CD1 3.68Å; A3-I60 HydrophobicContact CB-CG1 4.19Å; L5-I60 HydrophobicContact CD1-CG1 4.02Å; L20-I60 HydrophobicContact CD1-CD1 3.98Å; I60-W95 HydrophobicContact CB-CB 3.97Å; I60-W95 HydrophobicContact CB-CD2 4.24Å; I60-W95 HydrophobicContact CB-CG 4.03Å; I60-W95 HydrophobicContact CD1-CB 4.44Å; I60-W95 HydrophobicContact CD1-CD2 3.79Å; I60-W95 HydrophobicContact CD1-CE3 3.22Å; I60-W95 HydrophobicContact CD1-CG 4.34Å; I60-W95 HydrophobicContact CD1-CH2 4.47Å; I60-W95 HydrophobicContact CD1-CZ3 3.62Å; I60-W95 HydrophobicContact CG1-CB 4.42Å; I60-W95 HydrophobicContact CG1-CD2 3.76Å; I60-W95 HydrophobicContact CG1-CE3 3.73Å; I60-W95 HydrophobicContact CG1-CG 4.11Å; I60-W95 HydrophobicContact CG1-CZ3 4.18Å; I60-G96 PolarHBondContact O-N 3.49Å; I60-A99 HydrophobicContact CD1-CB 4.08Å; I60-A99 HydrophobicContact CG2-CB 3.85Å | ||
| 61 | P | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -79.3 | -173.7 | 178.8 | 32.1 | -26.9 | 0 | 0 | 0 | 111.2 | L4 L6 I47 G96 G97 L98 | L4-P61 HydrophobicContact CD2-CG 3.88Å; L4-P61 HydrophobicContact CG-CG 4.24Å; L4-P61 WeakPolarHBondContact O-CD 3.46Å; L6-P61 HydrophobicContact CD1-CB 3.84Å; L6-P61 HydrophobicContact CD1-CG 3.81Å; L6-P61 HydrophobicContact CD2-CG 4.12Å; L6-P61 HydrophobicContact CG-CB 4.35Å; L6-P61 HydrophobicContact CG-CG 3.78Å; I47-P61 HydrophobicContact CD1-CG 4.45Å; I47-P61 HydrophobicContact CG1-CB 4.17Å; I47-P61 HydrophobicContact CG1-CG 3.88Å; P61-G96 CarbonylContact O-C 3.57Å; P61-G96 WeakPolarHBondContact O-CA 3.48Å; P61-G97 PolarHBondContact O-N 3.14Å; P61-L98 HydrophobicContact CB-CD1 4.25Å; P61-L98 HydrophobicContact CG-CD1 3.89Å; P61-L98 WeakPolarHBondContact O-CB 3.33Å; P61-L98 PolarHBondContact O-N 3.28Å; P61-L98 VanDerWaalsContact O-N 3.08Å | ||
| 62 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | 103.7 | 95.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | D43 D64 G96 G97 | D43-G62 WeakPolarHBondContact OD1-CA 3.34Å; D43-G62 PolarHBondContact OD1-N 3.05Å; G62-D64 PolarHBondContact O-N 2.75Å; G62-G96 CarbonylContact O-C 3.53Å; G62-G96 VanDerWaalsContact O-CA 3.29Å; G62-G96 WeakPolarHBondContact O-CA 3.46Å; G62-G97 PolarHBondContact O-N 3.41Å | ||
| 63 | I | 98.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -76.1 | -7 | 179.5 | 69.5 | 178.6 | 0 | 0 | 0 | 113.8 | N40 K42 D43 T86 G87 V90 E92 T126 | N40-I63 HydrophobicContact CB-CD1 3.97Å; N40-I63 WeakPolarHBondContact ND2-CG1 3.23Å; K42-I63 HydrophobicContact CB-CD1 4.27Å; K42-I63 HydrophobicContact CD-CD1 4.33Å; K42-I63 HydrophobicContact CD-CG2 4.05Å; D43-I63 WeakPolarHBondContact OD1-CG2 3.32Å; D43-I63 PolarHBondContact OD1-N 3.13Å; I63-T86 WeakPolarHBondContact O-CA 3.31Å; I63-G87 PolarHBondContact O-N 3.5Å; I63-V90 WeakPolarHBondContact CA-O 3.36Å; I63-V90 WeakPolarHBondContact CG2-O 3.45Å; I63-E92 HydrophobicContact CG2-CG 4.21Å; I63-T126 HydrophobicContact CD1-CG2 3.78Å |
| 64 | D | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.7 | -179.5 | -55.9 | -30.9 | 0 | 0 | 0 | 111.2 | S37 S38 N40 G62 L85 T86 M122 G125 T126 R318 | S37-D64 WeakPolarHBondContact CB-O 3.48Å; S37-D64 PolarHBondContact OG-O 3.01Å; S38-D64 PolarHBondContact OG-OD2 3.19Å; N40-D64 PolarHBondContact ND2-OD2 3.05Å; G62-D64 PolarHBondContact O-N 2.75Å; D64-L85 VanDerWaalsContact CA-O 3.28Å; D64-L85 WeakPolarHBondContact CA-O 3.46Å; D64-T86 HydrophobicContact CB-CG2 4.37Å; D64-T86 WeakPolarHBondContact OD1-CB 3.5Å; D64-T86 VanDerWaalsContact OD1-CG2 3.28Å; D64-T86 WeakPolarHBondContact OD1-CG2 3.42Å; D64-M122 HydrophobicContact CB-CE 4.09Å; D64-M122 HydrophobicContact CB-SD 3.57Å; D64-M122 VanDerWaalsContact CB-SD 3.57Å; D64-G125 WeakPolarHBondContact OD2-CA 3.48Å; D64-T126 VanDerWaalsContact CG-N 3.31Å; D64-T126 WeakPolarHBondContact OD1-CB 3.34Å; D64-T126 PolarHBondContact OD1-N 3.26Å; D64-T126 VanDerWaalsContact OD1-N 3.15Å; D64-T126 PolarHBondContact OD1-OG1 2.89Å; D64-T126 PolarHBondContact OD2-N 3.46Å; D64-R318 IonicContact OD2-NH2 2.68Å |
| 65 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 159.9 | 159.5 | 59.3 | -100.2 | 0 | 0 | 0 | 111.9 | V32 V34 W36 L84 L85 V90 A102 V104 L109 M122 | V32-F65 HydrophobicContact CB-CE2 4.19Å; V32-F65 HydrophobicContact CG1-CD2 4.32Å; V32-F65 HydrophobicContact CG1-CE2 4.11Å; V32-F65 HydrophobicContact CG2-CE2 4.15Å; V34-F65 HydrophobicContact CG1-CB 3.79Å; V34-F65 HydrophobicContact CG2-CB 4.11Å; V34-F65 HydrophobicContact CG2-CD2 4.25Å; V34-F65 HydrophobicContact CG2-CG 4.19Å; W36-F65 CarbonylContact O-C 3.6Å; W36-F65 WeakPolarHBondContact O-CA 3.13Å; F65-L84 CarbonylContact O-C 3.44Å; F65-L84 WeakPolarHBondContact O-CA 3.45Å; F65-L85 HydrophobicContact CD1-CB 3.96Å; F65-L85 HydrophobicContact CD1-CD2 4.28Å; F65-L85 HydrophobicContact CD2-CB 4.09Å; F65-L85 HydrophobicContact CE1-CB 3.61Å; F65-L85 HydrophobicContact CE1-CD1 3.72Å; F65-L85 HydrophobicContact CE1-CD2 3.92Å; F65-L85 HydrophobicContact CE1-CG 3.94Å; F65-L85 HydrophobicContact CE2-CB 3.72Å; F65-L85 HydrophobicContact CG-CB 4.2Å; F65-L85 HydrophobicContact CZ-CB 3.48Å; F65-L85 VanDerWaalsContact CZ-CB 3.48Å; F65-L85 HydrophobicContact CZ-CD1 3.61Å; F65-L85 HydrophobicContact CZ-CG 4.04Å; F65-L85 PolarHBondContact N-O 2.9Å; F65-L85 VanDerWaalsContact N-O 3.08Å; F65-L85 PolarHBondContact O-N 3.36Å; F65-V90 HydrophobicContact CE1-CG1 4.28Å; F65-A102 HydrophobicContact CD1-CB 4.31Å; F65-A102 HydrophobicContact CE1-CB 3.96Å; F65-A102 HydrophobicContact CZ-CB 4.2Å; F65-V104 HydrophobicContact CE1-CG1 4Å; F65-V104 HydrophobicContact CZ-CG1 3.93Å; F65-V104 HydrophobicContact CZ-CG2 4.02Å; F65-L109 HydrophobicContact CE2-CD2 3.81Å; F65-L109 HydrophobicContact CZ-CD2 3.97Å; F65-M122 VanDerWaalsContact C-CE 3.47Å; F65-M122 WeakPolarHBondContact CA-SD 3.26Å; F65-M122 VanDerWaalsContact O-CE 3.28Å; F65-M122 WeakPolarHBondContact O-CE 3.22Å |
| 66 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H35 W36 V83 L84 M112 A118 A121 M122 | H35-A66 PolarHBondContact N-O 3.08Å; W36-A66 PolarHBondContact N-O 2.96Å; W36-A66 VanDerWaalsContact N-O 3.08Å; W36-A66 PolarHBondContact O-N 3.23Å; A66-V83 WeakPolarHBondContact CA-O 3.42Å; A66-L84 HydrophobicContact CB-CB 4.16Å; A66-M112 HydrophobicContact CB-CE 4.02Å; A66-A118 HydrophobicContact CB-CB 3.73Å; A66-A121 HydrophobicContact CB-CB 4.26Å; A66-M122 HydrophobicContact CB-CE 4.03Å; A66-M122 HydrophobicContact CB-CG 3.74Å; A66-M122 HydrophobicContact CB-SD 4.36Å |
| 67 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | -162.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D33 V83 | D33-G67 CarbonylContact O-C 3.55Å; D33-G67 VanDerWaalsContact O-CA 3.23Å; D33-G67 WeakPolarHBondContact O-CA 3.43Å; G67-V83 PolarHBondContact N-O 2.88Å; G67-V83 PolarHBondContact O-N 3.13Å |
| 68 | T | 98.8 | Very high | 98.5 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.7 | -175.1 | -46.1 | 0 | 0 | 0 | 0 | 110.7 | V32 D33 H35 R70 G80 Q81 E82 | V32-T68 CarbonylContact C-O 3.57Å; V32-T68 WeakPolarHBondContact CA-O 3.49Å; D33-T68 PolarHBondContact N-O 2.96Å; D33-T68 PolarHBondContact O-N 2.91Å; H35-T68 PolarHBondContact CE1-OG1 3.1Å; T68-R70 PolarHBondContact O-N 2.66Å; T68-G80 VanDerWaalsContact CG2-C 3.4Å; T68-G80 VanDerWaalsContact CG2-CA 3.42Å; T68-Q81 WeakPolarHBondContact CA-O 3.31Å; T68-E82 PolarHBondContact OG1-OE1 3.12Å |
| 69 | V | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 121.8 | 171.9 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | V30 F77 H78 A79 G80 Q81 V83 | V30-V69 HydrophobicContact CG1-CB 4.5Å; V30-V69 HydrophobicContact CG1-CG1 3.91Å; V30-V69 HydrophobicContact CG1-CG2 3.92Å; V69-F77 HydrophobicContact CG2-CB 4.33Å; V69-F77 HydrophobicContact CG2-CD1 4.49Å; V69-H78 WeakPolarHBondContact CB-O 3.28Å; V69-H78 WeakPolarHBondContact CG1-O 3.25Å; V69-A79 CarbonylContact O-C 3.59Å; V69-A79 WeakPolarHBondContact O-CA 3.39Å; V69-G80 PolarHBondContact O-N 3.46Å; V69-Q81 HydrophobicContact CB-CB 4.4Å; V69-Q81 HydrophobicContact CG2-CB 4.25Å; V69-Q81 WeakPolarHBondContact CG2-O 3.4Å; V69-Q81 PolarHBondContact N-O 3.35Å; V69-V83 HydrophobicContact CG2-CB 4.48Å; V69-V83 HydrophobicContact CG2-CG1 3.67Å; V69-V83 HydrophobicContact CG2-CG2 3.94Å |
| 70 | R | 98.4 | Very high | 98.6 | Very high | 111 Ų | 111 | 46.4 Ų | 46.4 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -52.1 | 173.6 | 175.1 | -179.5 | -74.2 | -101.2 | -4.8 | 110.8 | T31 D33 T68 A79 Q101 | T31-R70 HydrophobicContact CG2-CB 4.45Å; T31-R70 PolarHBondContact O-N 3.27Å; D33-R70 VanDerWaalsContact CG-NE 3.28Å; D33-R70 IonicContact OD1-CZ 3.84Å; D33-R70 IonicContact OD1-NE 2.84Å; D33-R70 PolarHBondContact OD1-NE 2.83Å; D33-R70 IonicContact OD1-NH2 3.27Å; D33-R70 PolarHBondContact OD1-NH2 2.96Å; D33-R70 IonicContact OD2-CZ 3.93Å; D33-R70 VanDerWaalsContact OD2-CZ 3.27Å; D33-R70 IonicContact OD2-NE 3.14Å; D33-R70 PolarHBondContact OD2-NE 3.34Å; D33-R70 VanDerWaalsContact OD2-NE 3.09Å; D33-R70 IonicContact OD2-NH2 2.92Å; D33-R70 PolarHBondContact OD2-NH2 3.49Å; T68-R70 PolarHBondContact O-N 2.66Å; R70-A79 WeakPolarHBondContact O-CB 3.37Å; R70-Q101 VanDerWaalsContact CZ-NE2 3.28Å |
| 71 | T | 98.3 | Very high | 98.6 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 47% | 0.466 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 152.7 | 177.2 | 54 | 0 | 0 | 0 | 0 | 110.2 | T31 | T31-T71 WeakPolarHBondContact CB-OG1 3.5Å; T31-T71 PolarHBondContact N-O 3.02Å; T31-T71 PolarHBondContact O-N 3.3Å |
| 72 | S | 98.6 | Very high | 98.6 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 139.7 | 173.6 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | D29 V30 D74 F77 | D29-S72 CarbonylContact O-C 3.59Å; D29-S72 VanDerWaalsContact O-CA 3.26Å; D29-S72 WeakPolarHBondContact O-CA 3.28Å; D29-S72 PolarHBondContact O-OG 3.35Å; V30-S72 WeakPolarHBondContact CG2-OG 3.33Å; S72-D74 PolarHBondContact OG-N 3.08Å; S72-D74 PolarHBondContact OG-O 3.32Å; S72-D74 VanDerWaalsContact OG-O 3.12Å; S72-F77 WeakPolarHBondContact CB-O 3.45Å |
| 73 | E | 98.4 | Very high | 98.6 | Very high | 174 Ų | 174 | 51.3 Ų | 51.3 | 81% | 0.813 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -96.9 | -7.5 | 165.7 | -60.3 | -177.1 | 171.2 | 0 | 0 | 111.8 | D29 | D29-E73 HydrophobicContact CB-CB 4.28Å; D29-E73 PolarHBondContact O-N 3.48Å |
| 74 | D | 98.1 | Very high | 98.6 | Very high | 16 Ų | 16 | 51 Ų | 51 | 9% | 0.086 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -92.2 | 123.4 | 178.9 | -170.7 | -49.1 | 0 | 0 | 0 | 110.4 | D29 V30 S72 R76 F77 | D29-D74 HydrophobicContact CB-CB 4.41Å; V30-D74 HydrophobicContact CG2-CB 4.21Å; S72-D74 PolarHBondContact OG-N 3.08Å; S72-D74 PolarHBondContact OG-O 3.32Å; S72-D74 VanDerWaalsContact OG-O 3.12Å; D74-R76 PolarHBondContact O-N 2.83Å; D74-R76 WeakPolarHBondContact OD1-CB 3.28Å; D74-R76 VanDerWaalsContact OD1-CG 3.28Å; D74-R76 WeakPolarHBondContact OD1-CG 3.47Å; D74-R76 IonicContact OD1-CZ 3.52Å; D74-R76 PolarHBondContact OD1-N 2.93Å; D74-R76 IonicContact OD1-NE 3.47Å; D74-R76 PolarHBondContact OD1-NE 3.08Å; D74-R76 IonicContact OD1-NH2 2.76Å; D74-R76 IonicContact OD2-CZ 2.75Å; D74-R76 VanDerWaalsContact OD2-CZ 3.23Å; D74-R76 IonicContact OD2-NE 3.09Å; D74-R76 PolarHBondContact OD2-NE 3.01Å; D74-R76 VanDerWaalsContact OD2-NE 3.1Å; D74-R76 IonicContact OD2-NH2 2.71Å; D74-R76 PolarHBondContact OD2-NH2 3.46Å; D74-F77 HydrophobicContact CB-CD2 4.28Å; D74-F77 PolarHBondContact O-N 2.96Å |
| 75 | P | 98.1 | Very high | 98.6 | Very high | 132 Ų | 132 | 51 Ų | 51 | 86% | 0.857 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.6 | -176.3 | 28.1 | -36.6 | 0 | 0 | 0 | 114.5 | F77 | P75-F77 VanDerWaalsContact C-N 3.31Š|
| 76 | R | 98.2 | Very high | 98.6 | Very high | 129 Ų | 129 | 51 Ų | 51 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.2 | 175.6 | -60.9 | 172.7 | -71.8 | -174.3 | -4.5 | 112.7 | D74 D107 | D74-R76 PolarHBondContact O-N 2.83Å; D74-R76 WeakPolarHBondContact OD1-CB 3.28Å; D74-R76 VanDerWaalsContact OD1-CG 3.28Å; D74-R76 WeakPolarHBondContact OD1-CG 3.47Å; D74-R76 IonicContact OD1-CZ 3.52Å; D74-R76 PolarHBondContact OD1-N 2.93Å; D74-R76 IonicContact OD1-NE 3.47Å; D74-R76 PolarHBondContact OD1-NE 3.08Å; D74-R76 IonicContact OD1-NH2 2.76Å; D74-R76 IonicContact OD2-CZ 2.75Å; D74-R76 VanDerWaalsContact OD2-CZ 3.23Å; D74-R76 IonicContact OD2-NE 3.09Å; D74-R76 PolarHBondContact OD2-NE 3.01Å; D74-R76 VanDerWaalsContact OD2-NE 3.1Å; D74-R76 IonicContact OD2-NH2 2.71Å; D74-R76 PolarHBondContact OD2-NH2 3.46Å; R76-D107 IonicContact CZ-OD1 2.8Å; R76-D107 VanDerWaalsContact CZ-OD1 3.23Å; R76-D107 IonicContact NH1-OD1 2.69Å; R76-D107 PolarHBondContact NH1-OD1 2.89Å; R76-D107 IonicContact NH2-OD1 3.93Å; R76-D107 PolarHBondContact NH2-OD1 3.5Å |
| 77 | F | 98.6 | Very high | 98.6 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | trans | -125 | 145.3 | -175.1 | -59 | -79.8 | 0 | 0 | 0 | 111.8 | V30 V69 S72 D74 P75 Q81 V83 G106 L109 | V30-F77 HydrophobicContact CG1-CB 4.48Å; V30-F77 HydrophobicContact CG2-CB 4.26Å; V30-F77 HydrophobicContact CG2-CD2 3.85Å; V30-F77 HydrophobicContact CG2-CG 4.23Å; V69-F77 HydrophobicContact CG2-CB 4.33Å; V69-F77 HydrophobicContact CG2-CD1 4.49Å; S72-F77 WeakPolarHBondContact CB-O 3.45Å; D74-F77 HydrophobicContact CB-CD2 4.28Å; D74-F77 PolarHBondContact O-N 2.96Å; P75-F77 VanDerWaalsContact C-N 3.31Å; F77-Q81 VanDerWaalsContact CA-OE1 3.3Å; F77-V83 HydrophobicContact CD1-CG1 3.71Å; F77-V83 HydrophobicContact CE1-CG1 3.78Å; F77-G106 VanDerWaalsContact CE2-O 3.27Å; F77-G106 WeakPolarHBondContact CE2-O 3.4Å; F77-L109 HydrophobicContact CD1-CD1 4.36Å; F77-L109 HydrophobicContact CE1-CB 3.76Å; F77-L109 HydrophobicContact CE1-CD1 4.22Å; F77-L109 HydrophobicContact CE2-CB 4.15Å; F77-L109 HydrophobicContact CE2-CD1 4.39Å; F77-L109 HydrophobicContact CZ-CB 3.46Å; F77-L109 VanDerWaalsContact CZ-CB 3.46Å; F77-L109 HydrophobicContact CZ-CD1 4.24Å; F77-L109 HydrophobicContact CZ-CG 4.49Å | ||
| 78 | H | 98.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 53 Ų | 53 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | trans | -138.5 | 155 | 178.9 | 57.2 | -79.3 | 0 | 0 | 0 | 111.4 | V69 G80 Q81 | V69-H78 WeakPolarHBondContact CB-O 3.28Å; V69-H78 WeakPolarHBondContact CG1-O 3.25Å; H78-G80 PolarHBondContact O-N 2.89Å; H78-Q81 PolarHBondContact CE1-OE1 2.8Å; H78-Q81 PolarHBondContact ND1-OE1 3.37Å; H78-Q81 WeakPolarHBondContact O-CB 3.27Å; H78-Q81 PolarHBondContact O-N 3.36Å | ||
| 79 | A | 98.7 | Very high | 98.5 | Very high | 68 Ų | 68 | 52 Ų | 52 | 56% | 0.562 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 133.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V69 R70 | V69-A79 CarbonylContact O-C 3.59Å; V69-A79 WeakPolarHBondContact O-CA 3.39Å; R70-A79 WeakPolarHBondContact O-CB 3.37Å |
| 80 | G | 98.5 | Very high | 98.4 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 55% | 0.546 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | T68 V69 H78 | T68-G80 VanDerWaalsContact CG2-C 3.4Å; T68-G80 VanDerWaalsContact CG2-CA 3.42Å; V69-G80 PolarHBondContact O-N 3.46Å; H78-G80 PolarHBondContact O-N 2.89Å |
| 81 | Q | 98.6 | Very high | 98.4 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | trans | -75.8 | 131.3 | 177.7 | -174.7 | 175.5 | -13.2 | 0 | 0 | 111.6 | T68 V69 F77 H78 V83 | T68-Q81 WeakPolarHBondContact CA-O 3.31Å; V69-Q81 HydrophobicContact CB-CB 4.4Å; V69-Q81 HydrophobicContact CG2-CB 4.25Å; V69-Q81 WeakPolarHBondContact CG2-O 3.4Å; V69-Q81 PolarHBondContact N-O 3.35Å; F77-Q81 VanDerWaalsContact CA-OE1 3.3Å; H78-Q81 PolarHBondContact CE1-OE1 2.8Å; H78-Q81 PolarHBondContact ND1-OE1 3.37Å; H78-Q81 WeakPolarHBondContact O-CB 3.27Å; H78-Q81 PolarHBondContact O-N 3.36Å; Q81-V83 HydrophobicContact CG-CG1 4.36Å | ||
| 82 | E | 98.7 | Very high | 98.3 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 131.5 | 173.1 | -65.5 | -65.9 | 125.6 | 0 | 0 | 111.2 | T68 M112 | T68-E82 PolarHBondContact OG1-OE1 3.12Å; E82-M112 HydrophobicContact CB-CB 3.72Å; E82-M112 HydrophobicContact CB-CG 4.36Å; E82-M112 WeakPolarHBondContact O-CB 3.4Å; E82-M112 PolarHBondContact O-N 3.41Å |
| 83 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 159.8 | -177.9 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | V32 A66 G67 V69 F77 Q81 L109 V110 | V32-V83 HydrophobicContact CG1-CG2 3.92Å; V32-V83 HydrophobicContact CG2-CG2 3.83Å; A66-V83 WeakPolarHBondContact CA-O 3.42Å; G67-V83 PolarHBondContact N-O 2.88Å; G67-V83 PolarHBondContact O-N 3.13Å; V69-V83 HydrophobicContact CG2-CB 4.48Å; V69-V83 HydrophobicContact CG2-CG1 3.67Å; V69-V83 HydrophobicContact CG2-CG2 3.94Å; F77-V83 HydrophobicContact CD1-CG1 3.71Å; F77-V83 HydrophobicContact CE1-CG1 3.78Å; Q81-V83 HydrophobicContact CG-CG1 4.36Å; V83-L109 HydrophobicContact CB-CD2 4.16Å; V83-L109 HydrophobicContact CG2-CD1 4.39Å; V83-L109 HydrophobicContact CG2-CD2 3.97Å; V83-V110 WeakPolarHBondContact CA-O 3.19Å |
| 84 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 158.5 | 168.5 | 66.9 | 83.3 | 0 | 0 | 0 | 110.8 | F65 A66 V110 M112 P113 L116 A121 M122 W279 | F65-L84 CarbonylContact O-C 3.44Å; F65-L84 WeakPolarHBondContact O-CA 3.45Å; A66-L84 HydrophobicContact CB-CB 4.16Å; L84-V110 HydrophobicContact CD1-CB 3.76Å; L84-V110 HydrophobicContact CD1-CG1 4.4Å; L84-V110 HydrophobicContact CD1-CG2 4.22Å; L84-V110 HydrophobicContact CG-CB 4.09Å; L84-V110 PolarHBondContact N-O 2.84Å; L84-V110 PolarHBondContact O-N 3.47Å; L84-M112 HydrophobicContact CB-CE 4.09Å; L84-M112 HydrophobicContact CD2-CE 4.29Å; L84-M112 HydrophobicContact CD2-SD 3.93Å; L84-P113 HydrophobicContact CD2-CG 4.4Å; L84-L116 HydrophobicContact CD2-CD2 4.28Å; L84-A121 HydrophobicContact CB-CB 4.45Å; L84-A121 HydrophobicContact CD2-CB 3.95Å; L84-M122 HydrophobicContact CB-CE 4.38Å; L84-W279 HydrophobicContact CD1-CD2 4.32Å; L84-W279 VanDerWaalsContact CD1-CE2 3.49Å; L84-W279 HydrophobicContact CD1-CH2 4.25Å; L84-W279 HydrophobicContact CD1-CZ2 3.47Å; L84-W279 VanDerWaalsContact CD1-CZ2 3.47Å; L84-W279 HydrophobicContact CD2-CD2 4.07Å; L84-W279 HydrophobicContact CD2-CE3 4.11Å; L84-W279 HydrophobicContact CD2-CH2 4.02Å; L84-W279 HydrophobicContact CD2-CZ2 3.98Å; L84-W279 HydrophobicContact CD2-CZ3 4.08Å; L84-W279 HydrophobicContact CG-CZ2 4.39Å |
| 85 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139.5 | 172.7 | -171 | 142.8 | 0 | 0 | 0 | 110.1 | D64 F65 V90 V104 W108 L109 | D64-L85 VanDerWaalsContact CA-O 3.28Å; D64-L85 WeakPolarHBondContact CA-O 3.46Å; F65-L85 HydrophobicContact CD1-CB 3.96Å; F65-L85 HydrophobicContact CD1-CD2 4.28Å; F65-L85 HydrophobicContact CD2-CB 4.09Å; F65-L85 HydrophobicContact CE1-CB 3.61Å; F65-L85 HydrophobicContact CE1-CD1 3.72Å; F65-L85 HydrophobicContact CE1-CD2 3.92Å; F65-L85 HydrophobicContact CE1-CG 3.94Å; F65-L85 HydrophobicContact CE2-CB 3.72Å; F65-L85 HydrophobicContact CG-CB 4.2Å; F65-L85 HydrophobicContact CZ-CB 3.48Å; F65-L85 VanDerWaalsContact CZ-CB 3.48Å; F65-L85 HydrophobicContact CZ-CD1 3.61Å; F65-L85 HydrophobicContact CZ-CG 4.04Å; F65-L85 PolarHBondContact N-O 2.9Å; F65-L85 VanDerWaalsContact N-O 3.08Å; F65-L85 PolarHBondContact O-N 3.36Å; L85-V90 HydrophobicContact CD1-CG2 3.99Å; L85-V90 HydrophobicContact CD2-CB 3.67Å; L85-V90 HydrophobicContact CD2-CG1 3.85Å; L85-V90 HydrophobicContact CD2-CG2 3.82Å; L85-V104 HydrophobicContact CD1-CB 4.24Å; L85-V104 HydrophobicContact CD1-CG1 4.03Å; L85-V104 HydrophobicContact CD1-CG2 4.14Å; L85-W108 HydrophobicContact CD1-CB 3.7Å; L85-L109 HydrophobicContact CB-CD2 4.11Å; L85-L109 HydrophobicContact CD1-CD2 4.17Å |
| 86 | T | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 125.8 | 167 | 60.7 | 0 | 0 | 0 | 0 | 110 | I63 D64 M122 T126 R275 W279 | I63-T86 WeakPolarHBondContact O-CA 3.31Å; D64-T86 HydrophobicContact CB-CG2 4.37Å; D64-T86 WeakPolarHBondContact OD1-CB 3.5Å; D64-T86 VanDerWaalsContact OD1-CG2 3.28Å; D64-T86 WeakPolarHBondContact OD1-CG2 3.42Å; T86-M122 HydrophobicContact CG2-CE 4.49Å; T86-T126 WeakPolarHBondContact CB-OG1 3.01Å; T86-R275 PolarHBondContact O-NH1 3.02Å; T86-R275 PolarHBondContact O-NH2 3.17Å; T86-R275 PolarHBondContact OG1-NH1 2.64Å; T86-W279 HydrophobicContact CG2-CZ2 3.84Å |
| 87 | G | 98 | Very high | 98.3 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | trans | 84.5 | -135.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | I63 G89 V90 | I63-G87 PolarHBondContact O-N 3.5Å; G87-G89 PolarHBondContact O-N 2.98Å; G87-V90 WeakPolarHBondContact O-CB 3.28Å; G87-V90 PolarHBondContact O-N 2.83Å | ||
| 88 | W | 98.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 28.4 Ų | 28.4 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 15.7 | -176.2 | -59 | 118.1 | 0 | 0 | 0 | 116.7 | V90 W108 V268 M269 T270 | W88-V90 VanDerWaalsContact C-N 3.25Å; W88-V90 PolarHBondContact O-N 3.17Å; W88-W108 HydrophobicContact CB-CB 4.07Å; W88-W108 HydrophobicContact CB-CD2 3.99Å; W88-W108 HydrophobicContact CB-CG 3.7Å; W88-W108 VanDerWaalsContact CD1-CA 3.46Å; W88-W108 AromaticContact CD1-CG 3.96Å; W88-W108 VanDerWaalsContact CD1-O 3.31Å; W88-W108 HydrophobicContact CG-CB 3.87Å; W88-W108 AromaticContact CG-CD1 3.72Å; W88-W108 AromaticContact CG-CG 3.8Å; W88-W108 HydrophobicContact CG-CG 3.8Å; W88-W108 PolarHBondContact NE1-O 2.77Å; W88-V268 PolarHBondContact N-O 3.45Å; W88-M269 HydrophobicContact CE3-CE 4.09Å; W88-M269 HydrophobicContact CE3-SD 3.82Å; W88-M269 HydrophobicContact CZ3-CB 4.5Å; W88-M269 HydrophobicContact CZ3-CE 3.92Å; W88-M269 HydrophobicContact CZ3-SD 4.07Å; W88-T270 VanDerWaalsContact CH2-O 3.25Å; W88-T270 WeakPolarHBondContact CH2-O 3.49Å; W88-T270 VanDerWaalsContact CZ2-O 3.28Å; W88-T270 WeakPolarHBondContact CZ2-O 3.42Å |
| 89 | G | 97.2 | Very high | 98.3 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -3.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G87 E92 N93 H94 | G87-G89 PolarHBondContact O-N 2.98Å; G89-E92 WeakPolarHBondContact O-CA 3.47Å; G89-E92 WeakPolarHBondContact O-CB 3.41Å; G89-E92 PolarHBondContact O-N 2.86Å; G89-N93 VanDerWaalsContact C-OD1 3.3Å; G89-N93 WeakPolarHBondContact CA-OD1 3.29Å; G89-N93 PolarHBondContact O-N 3.2Å; G89-N93 PolarHBondContact O-OD1 2.81Å; G89-H94 PolarHBondContact O-N 3.46Å |
| 90 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -61.3 | 136.8 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | I63 F65 L85 G87 W88 E92 V104 W108 | I63-V90 WeakPolarHBondContact CA-O 3.36Å; I63-V90 WeakPolarHBondContact CG2-O 3.45Å; F65-V90 HydrophobicContact CE1-CG1 4.28Å; L85-V90 HydrophobicContact CD1-CG2 3.99Å; L85-V90 HydrophobicContact CD2-CB 3.67Å; L85-V90 HydrophobicContact CD2-CG1 3.85Å; L85-V90 HydrophobicContact CD2-CG2 3.82Å; G87-V90 WeakPolarHBondContact O-CB 3.28Å; G87-V90 PolarHBondContact O-N 2.83Å; W88-V90 VanDerWaalsContact C-N 3.25Å; W88-V90 PolarHBondContact O-N 3.17Å; V90-E92 PolarHBondContact O-N 2.84Å; V90-V104 HydrophobicContact CG2-CG1 4.32Å; V90-W108 HydrophobicContact CG2-CD2 4.46Å; V90-W108 HydrophobicContact CG2-CE3 3.55Å; V90-W108 HydrophobicContact CG2-CZ3 3.8Å |
| 91 | G | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -0.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I54 H94 | I54-G91 WeakPolarHBondContact CD1-O 3.48Å; G91-H94 PolarHBondContact N-O 2.93Å |
| 92 | E | 96.5 | Very high | 98.3 | Very high | 37 Ų | 37 | 19.3 Ų | 19.3 | 17% | 0.173 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -52.2 | 178.7 | -57.7 | 179.7 | -110.9 | 0 | 0 | 112.5 | K42 I53 M59 I63 G89 V90 | K42-E92 VanDerWaalsContact CD-CD 3.42Å; K42-E92 HydrophobicContact CD-CG 3.92Å; K42-E92 WeakPolarHBondContact CD-OE2 3.31Å; K42-E92 WeakPolarHBondContact CE-OE2 3.43Å; K42-E92 IonicContact NZ-OE1 3.17Å; K42-E92 PolarHBondContact NZ-OE1 2.89Å; K42-E92 IonicContact NZ-OE2 2.83Å; K42-E92 PolarHBondContact NZ-OE2 3.03Å; I53-E92 HydrophobicContact CG2-CG 4.04Å; M59-E92 WeakPolarHBondContact CE-O 3.38Å; I63-E92 HydrophobicContact CG2-CG 4.21Å; G89-E92 WeakPolarHBondContact O-CA 3.47Å; G89-E92 WeakPolarHBondContact O-CB 3.41Å; G89-E92 PolarHBondContact O-N 2.86Å; V90-E92 PolarHBondContact O-N 2.84Å |
| 93 | N | 96.7 | Very high | 98.3 | Very high | 109 Ų | 109 | 18.4 Ų | 18.4 | 58% | 0.583 | 9% | 0.087 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.6 | -6.1 | -179.3 | 63 | 24.9 | 0 | 0 | 0 | 113.3 | G89 | G89-N93 VanDerWaalsContact C-OD1 3.3Å; G89-N93 WeakPolarHBondContact CA-OD1 3.29Å; G89-N93 PolarHBondContact O-N 3.2Å; G89-N93 PolarHBondContact O-OD1 2.81Å |
| 94 | H | 98.1 | Very high | 98.3 | Very high | 26 Ų | 26 | 18.4 Ų | 18.4 | 12% | 0.12 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -132.8 | 145.3 | 173.7 | -166.9 | 92.9 | 0 | 0 | 0 | 108.7 | P26 E27 G89 G91 G96 R103 W108 | P26-H94 WeakPolarHBondContact CG-CE1 3.36Å; P26-H94 VanDerWaalsContact CG-NE2 3.27Å; P26-H94 WeakPolarHBondContact CG-NE2 3.49Å; E27-H94 PolarHBondContact O-CE1 2.94Å; G89-H94 PolarHBondContact O-N 3.46Å; G91-H94 PolarHBondContact N-O 2.93Å; H94-G96 PolarHBondContact O-N 3.14Å; H94-R103 PolarHBondContact NE2-O 3.27Å; H94-W108 HydrophobicContact CB-CZ3 4.32Å; H94-W108 AromaticContact CD2-CZ3 3.98Å; H94-W108 AromaticContact CG-CZ3 3.88Å |
| 95 | W | 98.5 | Very high | 98.3 | Very high | 33 Ų | 33 | 23.3 Ų | 23.3 | 13% | 0.125 | 11% | 0.108 | C | C | . | . | trans | -60.2 | 133.8 | -178.9 | -77.1 | 14.4 | 0 | 0 | 0 | 111.7 | L5 L20 R24 L25 P26 P58 I60 | L5-W95 HydrophobicContact CD1-CZ2 4.39Å; L20-W95 HydrophobicContact CD1-CH2 4.25Å; L20-W95 HydrophobicContact CD1-CZ3 4.09Å; R24-W95 HydrophobicContact CB-CH2 4.02Å; R24-W95 HydrophobicContact CB-CZ3 3.99Å; R24-W95 WeakPolarHBondContact O-CZ3 3.33Å; L25-W95 HydrophobicContact CD2-CE3 4Å; L25-W95 HydrophobicContact CD2-CZ3 4.46Å; P26-W95 HydrophobicContact CG-CB 3.97Å; P26-W95 HydrophobicContact CG-CG 4.36Å; P58-W95 HydrophobicContact CG-CZ2 4.42Å; P58-W95 PolarHBondContact O-NE1 3.2Å; P58-W95 VanDerWaalsContact O-NE1 3.12Å; I60-W95 HydrophobicContact CB-CB 3.97Å; I60-W95 HydrophobicContact CB-CD2 4.24Å; I60-W95 HydrophobicContact CB-CG 4.03Å; I60-W95 HydrophobicContact CD1-CB 4.44Å; I60-W95 HydrophobicContact CD1-CD2 3.79Å; I60-W95 HydrophobicContact CD1-CE3 3.22Å; I60-W95 HydrophobicContact CD1-CG 4.34Å; I60-W95 HydrophobicContact CD1-CH2 4.47Å; I60-W95 HydrophobicContact CD1-CZ3 3.62Å; I60-W95 HydrophobicContact CG1-CB 4.42Å; I60-W95 HydrophobicContact CG1-CD2 3.76Å; I60-W95 HydrophobicContact CG1-CE3 3.73Å; I60-W95 HydrophobicContact CG1-CG 4.11Å; I60-W95 HydrophobicContact CG1-CZ3 4.18Å | ||
| 96 | G | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | trans | -104.5 | -163 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | I60 P61 G62 H94 | I60-G96 PolarHBondContact O-N 3.49Å; P61-G96 CarbonylContact O-C 3.57Å; P61-G96 WeakPolarHBondContact O-CA 3.48Å; G62-G96 CarbonylContact O-C 3.53Å; G62-G96 VanDerWaalsContact O-CA 3.29Å; G62-G96 WeakPolarHBondContact O-CA 3.46Å; H94-G96 PolarHBondContact O-N 3.14Å | ||
| 97 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -83.9 | -4.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | S37 P61 G62 A99 | S37-G97 WeakPolarHBondContact CB-O 3.39Å; P61-G97 PolarHBondContact O-N 3.14Å; G62-G97 PolarHBondContact O-N 3.41Å; G97-A99 PolarHBondContact O-N 2.8Å |
| 98 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -84.9 | 53.4 | 176.2 | -67.5 | 168.8 | 0 | 0 | 0 | 110.9 | L4 L39 I47 P61 L300 V321 | L4-L98 HydrophobicContact CB-CB 4.11Å; L4-L98 HydrophobicContact CD2-CD1 4.08Å; L4-L98 PolarHBondContact N-O 3.11Å; L39-L98 HydrophobicContact CD2-CD1 3.75Å; L39-L98 HydrophobicContact CD2-CD2 4.22Å; I47-L98 HydrophobicContact CD1-CD1 3.94Å; P61-L98 HydrophobicContact CB-CD1 4.25Å; P61-L98 HydrophobicContact CG-CD1 3.89Å; P61-L98 WeakPolarHBondContact O-CB 3.33Å; P61-L98 PolarHBondContact O-N 3.28Å; P61-L98 VanDerWaalsContact O-N 3.08Å; L98-L300 HydrophobicContact CB-CD1 3.81Å; L98-L300 HydrophobicContact CD2-CD1 4.02Å; L98-L300 WeakPolarHBondContact O-CD1 3.43Å; L98-V321 HydrophobicContact CD2-CB 4.08Å; L98-V321 HydrophobicContact CD2-CG1 3.91Å; L98-V321 HydrophobicContact CD2-CG2 3.89Å |
| 99 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -156.7 | 150.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | M1 Q2 A3 V34 I60 G97 Q101 V323 | M1-A99 HydrophobicContact CE-CB 4.28Å; M1-A99 HydrophobicContact SD-CB 4.09Å; Q2-A99 WeakPolarHBondContact O-CA 3.47Å; A3-A99 HydrophobicContact CB-CB 3.52Å; V34-A99 VanDerWaalsContact CB-O 3.22Å; V34-A99 WeakPolarHBondContact CB-O 3.36Å; I60-A99 HydrophobicContact CD1-CB 4.08Å; I60-A99 HydrophobicContact CG2-CB 3.85Å; G97-A99 PolarHBondContact O-N 2.8Å; A99-Q101 PolarHBondContact O-N 3.03Å; A99-Q101 VanDerWaalsContact O-N 3.13Å; A99-V323 VanDerWaalsContact C-CG1 3.45Å; A99-V323 WeakPolarHBondContact O-CG1 3.46Å |
| 100 | E | 98.5 | Very high | 98.3 | Very high | 64 Ų | 64 | 29.5 Ų | 29.5 | 30% | 0.299 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -59.1 | -22.4 | 176.9 | -75.2 | 173.7 | 171.9 | 0 | 0 | 113.2 | M1 Q2 V34 V323 | M1-E100 WeakPolarHBondContact CA-OE2 3.24Å; M1-E100 HydrophobicContact CB-CB 4.09Å; Q2-E100 HydrophobicContact CB-CG 4.18Å; Q2-E100 VanDerWaalsContact N-CD 3.29Å; Q2-E100 PolarHBondContact N-OE2 3.48Å; Q2-E100 PolarHBondContact O-N 3.47Å; V34-E100 PolarHBondContact N-O 3.11Å; E100-V323 HydrophobicContact CB-CG1 4.4Å; E100-V323 HydrophobicContact CG-CG1 4.11Å |
| 101 | Q | 98.4 | Very high | 98.3 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 144.1 | 177.4 | -65.8 | 179.9 | -42.1 | 0 | 0 | 111.2 | M1 L25 V32 D33 R70 A99 | M1-Q101 HydrophobicContact CB-CG 4.41Å; M1-Q101 HydrophobicContact CG-CB 4.46Å; L25-Q101 HydrophobicContact CD1-CB 4.04Å; V32-Q101 VanDerWaalsContact O-CA 3.32Å; V32-Q101 WeakPolarHBondContact O-CA 3.34Å; D33-Q101 PolarHBondContact OD1-NE2 3.47Å; R70-Q101 VanDerWaalsContact CZ-NE2 3.28Å; A99-Q101 PolarHBondContact O-N 3.03Å; A99-Q101 VanDerWaalsContact O-N 3.13Å |
| 102 | A | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T31 V32 V34 F65 | T31-A102 WeakPolarHBondContact CA-O 3.27Å; V32-A102 PolarHBondContact N-O 2.87Å; V32-A102 PolarHBondContact O-N 2.94Å; V34-A102 HydrophobicContact CG2-CB 4Å; F65-A102 HydrophobicContact CD1-CB 4.31Å; F65-A102 HydrophobicContact CE1-CB 3.96Å; F65-A102 HydrophobicContact CZ-CB 4.2Å |
| 103 | R | 98.8 | Very high | 98.4 | Very high | 52 Ų | 52 | 32.5 Ų | 32.5 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124 | 173 | -168 | 179.4 | -59 | 144.5 | -1.7 | 109.5 | E22 L25 P26 G28 V30 T31 H94 | E22-R103 IonicContact OE1-NH2 2.67Å; L25-R103 HydrophobicContact CB-CB 4.14Å; L25-R103 HydrophobicContact CD1-CB 4.23Å; P26-R103 WeakPolarHBondContact O-CD 3.4Å; G28-R103 WeakPolarHBondContact O-CD 3.28Å; V30-R103 WeakPolarHBondContact O-CA 3.21Å; T31-R103 PolarHBondContact OG1-NE 3.32Å; T31-R103 VanDerWaalsContact OG1-NE 3.11Å; H94-R103 PolarHBondContact NE2-O 3.27Å |
| 104 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 175.5 | -170.7 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | G28 D29 V30 F65 L85 V90 W108 L109 | G28-V104 CarbonylContact C-O 3.52Å; G28-V104 WeakPolarHBondContact CA-O 3.22Å; D29-V104 PolarHBondContact N-O 3.4Å; V30-V104 PolarHBondContact N-O 2.8Å; V30-V104 VanDerWaalsContact N-O 3.09Å; V30-V104 PolarHBondContact O-N 2.56Å; F65-V104 HydrophobicContact CE1-CG1 4Å; F65-V104 HydrophobicContact CZ-CG1 3.93Å; F65-V104 HydrophobicContact CZ-CG2 4.02Å; L85-V104 HydrophobicContact CD1-CB 4.24Å; L85-V104 HydrophobicContact CD1-CG1 4.03Å; L85-V104 HydrophobicContact CD1-CG2 4.14Å; V90-V104 HydrophobicContact CG2-CG1 4.32Å; V104-W108 HydrophobicContact CB-CE3 3.92Å; V104-W108 HydrophobicContact CB-CZ3 4.43Å; V104-W108 HydrophobicContact CG1-CE3 4.27Å; V104-L109 HydrophobicContact CG2-CD1 4.02Å; V104-L109 HydrophobicContact CG2-CD2 3.93Å; V104-L109 HydrophobicContact CG2-CG 3.85Å |
| 105 | K | 98.6 | Very high | 98.2 | Very high | 104 Ų | 104 | 38.3 Ų | 38.3 | 45% | 0.452 | 21% | 0.206 | S | C | . | . | trans | -80 | 142.2 | 169.1 | -57.9 | -172.9 | -175.4 | -179.1 | 0 | 111 | D29 D107 W108 | D29-K105 WeakPolarHBondContact OD1-CA 3.18Å; K105-D107 PolarHBondContact O-N 2.93Å; K105-W108 HydrophobicContact CB-CD2 3.85Å; K105-W108 HydrophobicContact CB-CE3 4.23Å; K105-W108 HydrophobicContact CB-CG 4.13Å; K105-W108 HydrophobicContact CB-CZ2 4.38Å; K105-W108 HydrophobicContact CD-CH2 4.13Å; K105-W108 HydrophobicContact CD-CZ2 3.57Å; K105-W108 HydrophobicContact CG-CD2 4.24Å; K105-W108 HydrophobicContact CG-CE3 4.39Å; K105-W108 HydrophobicContact CG-CH2 4.08Å; K105-W108 HydrophobicContact CG-CZ2 3.92Å; K105-W108 HydrophobicContact CG-CZ3 4.3Å; K105-W108 WeakPolarHBondContact O-CB 3.42Å; K105-W108 PolarHBondContact O-N 3.31Å | ||
| 106 | G | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -59.3 | -32.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D29 F77 W108 L109 | D29-G106 PolarHBondContact OD1-N 2.84Å; D29-G106 PolarHBondContact OD2-N 2.71Å; F77-G106 VanDerWaalsContact CE2-O 3.27Å; F77-G106 WeakPolarHBondContact CE2-O 3.4Å; G106-W108 PolarHBondContact O-N 3.03Å; G106-W108 VanDerWaalsContact O-N 3.09Å; G106-L109 PolarHBondContact O-N 2.77Å; G106-L109 VanDerWaalsContact O-N 3.14Å |
| 107 | D | 98.1 | Very high | 98 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -59.3 | -20.9 | 175.3 | -73.3 | -20.5 | 0 | 0 | 0 | 114.1 | R76 K105 | R76-D107 IonicContact CZ-OD1 2.8Å; R76-D107 VanDerWaalsContact CZ-OD1 3.23Å; R76-D107 IonicContact NH1-OD1 2.69Å; R76-D107 PolarHBondContact NH1-OD1 2.89Å; R76-D107 IonicContact NH2-OD1 3.93Å; R76-D107 PolarHBondContact NH2-OD1 3.5Å; K105-D107 PolarHBondContact O-N 2.93Å |
| 108 | W | 98.6 | Very high | 98 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -93.4 | -16.8 | -177.2 | -57.1 | -14.7 | 0 | 0 | 0 | 112.9 | L85 W88 V90 H94 V104 K105 G106 | L85-W108 HydrophobicContact CD1-CB 3.7Å; W88-W108 HydrophobicContact CB-CB 4.07Å; W88-W108 HydrophobicContact CB-CD2 3.99Å; W88-W108 HydrophobicContact CB-CG 3.7Å; W88-W108 VanDerWaalsContact CD1-CA 3.46Å; W88-W108 AromaticContact CD1-CG 3.96Å; W88-W108 VanDerWaalsContact CD1-O 3.31Å; W88-W108 HydrophobicContact CG-CB 3.87Å; W88-W108 AromaticContact CG-CD1 3.72Å; W88-W108 AromaticContact CG-CG 3.8Å; W88-W108 HydrophobicContact CG-CG 3.8Å; W88-W108 PolarHBondContact NE1-O 2.77Å; V90-W108 HydrophobicContact CG2-CD2 4.46Å; V90-W108 HydrophobicContact CG2-CE3 3.55Å; V90-W108 HydrophobicContact CG2-CZ3 3.8Å; H94-W108 HydrophobicContact CB-CZ3 4.32Å; H94-W108 AromaticContact CD2-CZ3 3.98Å; H94-W108 AromaticContact CG-CZ3 3.88Å; V104-W108 HydrophobicContact CB-CE3 3.92Å; V104-W108 HydrophobicContact CB-CZ3 4.43Å; V104-W108 HydrophobicContact CG1-CE3 4.27Å; K105-W108 HydrophobicContact CB-CD2 3.85Å; K105-W108 HydrophobicContact CB-CE3 4.23Å; K105-W108 HydrophobicContact CB-CG 4.13Å; K105-W108 HydrophobicContact CB-CZ2 4.38Å; K105-W108 HydrophobicContact CD-CH2 4.13Å; K105-W108 HydrophobicContact CD-CZ2 3.57Å; K105-W108 HydrophobicContact CG-CD2 4.24Å; K105-W108 HydrophobicContact CG-CE3 4.39Å; K105-W108 HydrophobicContact CG-CH2 4.08Å; K105-W108 HydrophobicContact CG-CZ2 3.92Å; K105-W108 HydrophobicContact CG-CZ3 4.3Å; K105-W108 WeakPolarHBondContact O-CB 3.42Å; K105-W108 PolarHBondContact O-N 3.31Å; G106-W108 PolarHBondContact O-N 3.03Å; G106-W108 VanDerWaalsContact O-N 3.09Å |
| 109 | L | 98.7 | Very high | 98 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | trans | -85.5 | 150.4 | -178.2 | -69.9 | 173.8 | 0 | 0 | 0 | 111.5 | V30 V32 F65 F77 V83 L85 V104 G106 | V30-L109 HydrophobicContact CB-CD1 3.74Å; V30-L109 HydrophobicContact CG1-CD1 3.53Å; V30-L109 HydrophobicContact CG2-CD1 3.9Å; V32-L109 HydrophobicContact CG2-CD1 4.37Å; V32-L109 HydrophobicContact CG2-CD2 4.48Å; F65-L109 HydrophobicContact CE2-CD2 3.81Å; F65-L109 HydrophobicContact CZ-CD2 3.97Å; F77-L109 HydrophobicContact CD1-CD1 4.36Å; F77-L109 HydrophobicContact CE1-CB 3.76Å; F77-L109 HydrophobicContact CE1-CD1 4.22Å; F77-L109 HydrophobicContact CE2-CB 4.15Å; F77-L109 HydrophobicContact CE2-CD1 4.39Å; F77-L109 HydrophobicContact CZ-CB 3.46Å; F77-L109 VanDerWaalsContact CZ-CB 3.46Å; F77-L109 HydrophobicContact CZ-CD1 4.24Å; F77-L109 HydrophobicContact CZ-CG 4.49Å; V83-L109 HydrophobicContact CB-CD2 4.16Å; V83-L109 HydrophobicContact CG2-CD1 4.39Å; V83-L109 HydrophobicContact CG2-CD2 3.97Å; L85-L109 HydrophobicContact CB-CD2 4.11Å; L85-L109 HydrophobicContact CD1-CD2 4.17Å; V104-L109 HydrophobicContact CG2-CD1 4.02Å; V104-L109 HydrophobicContact CG2-CD2 3.93Å; V104-L109 HydrophobicContact CG2-CG 3.85Å; G106-L109 PolarHBondContact O-N 2.77Å; G106-L109 VanDerWaalsContact O-N 3.14Å | ||
| 110 | V | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.5 | 166.6 | -180 | 0 | 0 | 0 | 0 | 106.7 | V83 L84 M112 R275 | V83-V110 WeakPolarHBondContact CA-O 3.19Å; L84-V110 HydrophobicContact CD1-CB 3.76Å; L84-V110 HydrophobicContact CD1-CG1 4.4Å; L84-V110 HydrophobicContact CD1-CG2 4.22Å; L84-V110 HydrophobicContact CG-CB 4.09Å; L84-V110 PolarHBondContact N-O 2.84Å; L84-V110 PolarHBondContact O-N 3.47Å; V110-M112 PolarHBondContact O-N 2.52Å; V110-R275 HydrophobicContact CG2-CG 3.92Å |
| 111 | A | 98.4 | Very high | 98 | Very high | 49 Ų | 49 | 44 Ų | 44 | 41% | 0.405 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 136.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P113 | A111-P113 VanDerWaalsContact O-CD 3.31Å; A111-P113 WeakPolarHBondContact O-CD 3.49Å; A111-P113 VanDerWaalsContact O-N 3.11Å |
| 112 | M | 98.6 | Very high | 98 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -54 | 120.8 | -174.9 | -172.7 | 61.1 | 64 | 0 | 0 | 110.7 | A66 E82 L84 V110 L116 A118 A121 | A66-M112 HydrophobicContact CB-CE 4.02Å; E82-M112 HydrophobicContact CB-CB 3.72Å; E82-M112 HydrophobicContact CB-CG 4.36Å; E82-M112 WeakPolarHBondContact O-CB 3.4Å; E82-M112 PolarHBondContact O-N 3.41Å; L84-M112 HydrophobicContact CB-CE 4.09Å; L84-M112 HydrophobicContact CD2-CE 4.29Å; L84-M112 HydrophobicContact CD2-SD 3.93Å; V110-M112 PolarHBondContact O-N 2.52Å; M112-L116 VanDerWaalsContact CG-O 3.29Å; M112-L116 WeakPolarHBondContact CG-O 3.49Å; M112-L116 HydrophobicContact SD-CB 4.02Å; M112-L116 HydrophobicContact SD-CD2 4.04Å; M112-L116 HydrophobicContact SD-CG 4.07Å; M112-A118 HydrophobicContact CE-CB 4.24Å; M112-A121 HydrophobicContact CE-CB 3.92Å; M112-A121 HydrophobicContact SD-CB 3.89Å |
| 113 | P | 97.7 | Very high | 98 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 140.1 | 177.7 | -25 | 33.6 | 0 | 0 | 0 | 111.7 | L84 A111 G115 L116 W279 V283 | L84-P113 HydrophobicContact CD2-CG 4.4Å; A111-P113 VanDerWaalsContact O-CD 3.31Å; A111-P113 WeakPolarHBondContact O-CD 3.49Å; A111-P113 VanDerWaalsContact O-N 3.11Å; P113-G115 PolarHBondContact O-N 3.15Å; P113-L116 HydrophobicContact CB-CB 4.37Å; P113-L116 HydrophobicContact CG-CD2 4.25Å; P113-L116 WeakPolarHBondContact O-CB 3.05Å; P113-L116 PolarHBondContact O-N 2.86Å; P113-W279 HydrophobicContact CG-CB 3.84Å; P113-W279 HydrophobicContact CG-CG 4.32Å; P113-V283 HydrophobicContact CB-CG2 3.94Å |
| 114 | Q | 95.9 | Very high | 98 | Very high | 191 Ų | 191 | 40.8 Ų | 40.8 | 89% | 0.893 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 132 | 175.6 | -175.1 | -179 | 3.4 | 0 | 0 | 110.5 | L116 V283 | Q114-L116 VanDerWaalsContact C-N 3.34Å; Q114-V283 WeakPolarHBondContact O-CG1 3.45Å |
| 115 | G | 94.2 | Very high | 98 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 68% | 0.68 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | -4.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P113 | P113-G115 PolarHBondContact O-N 3.15Š|
| 116 | L | 96.7 | Very high | 98 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | trans | -107.7 | 139.9 | 173.4 | -158.2 | 65 | 0 | 0 | 0 | 110.3 | L84 M112 P113 Q114 K120 A121 I124 W279 V283 | L84-L116 HydrophobicContact CD2-CD2 4.28Å; M112-L116 VanDerWaalsContact CG-O 3.29Å; M112-L116 WeakPolarHBondContact CG-O 3.49Å; M112-L116 HydrophobicContact SD-CB 4.02Å; M112-L116 HydrophobicContact SD-CD2 4.04Å; M112-L116 HydrophobicContact SD-CG 4.07Å; P113-L116 HydrophobicContact CB-CB 4.37Å; P113-L116 HydrophobicContact CG-CD2 4.25Å; P113-L116 WeakPolarHBondContact O-CB 3.05Å; P113-L116 PolarHBondContact O-N 2.86Å; Q114-L116 VanDerWaalsContact C-N 3.34Å; L116-K120 HydrophobicContact CD1-CB 3.5Å; L116-K120 HydrophobicContact CG-CB 4.3Å; L116-A121 HydrophobicContact CD2-CB 3.73Å; L116-A121 HydrophobicContact CG-CB 4.07Å; L116-I124 HydrophobicContact CD1-CD1 3.92Å; L116-I124 HydrophobicContact CD2-CD1 4.41Å; L116-W279 HydrophobicContact CD2-CE3 3.83Å; L116-W279 HydrophobicContact CD2-CZ3 3.76Å; L116-V283 HydrophobicContact CB-CG2 4.06Å; L116-V283 HydrophobicContact CD1-CG2 4.48Å; L116-V283 HydrophobicContact CD2-CG2 4.47Å | ||
| 117 | D | 97.5 | Very high | 98.1 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 41% | 0.412 | 21% | 0.205 | S | C | . | . | trans | -106.7 | 165.4 | 167.8 | 64.5 | 49 | 0 | 0 | 0 | 110.2 | R119 K120 A121 | D117-R119 PolarHBondContact O-N 3.36Å; D117-R119 WeakPolarHBondContact OD1-CA 3.35Å; D117-R119 VanDerWaalsContact OD1-CB 3.32Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 2.86Å; D117-K120 PolarHBondContact O-N 2.63Å; D117-K120 WeakPolarHBondContact OD1-CG 3.29Å; D117-K120 PolarHBondContact OD1-N 3.08Å; D117-A121 WeakPolarHBondContact O-CB 3.43Å; D117-A121 PolarHBondContact O-N 3.34Å | ||
| 118 | A | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 7% | 0.066 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.8 | -33.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A66 M112 M122 | A66-A118 HydrophobicContact CB-CB 3.73Å; M112-A118 HydrophobicContact CE-CB 4.24Å; A118-M122 PolarHBondContact O-N 3.35Å |
| 119 | R | 98.5 | Very high | 98.1 | Very high | 83 Ų | 83 | 30.2 Ų | 30.2 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.7 | -51.5 | 179.2 | -170.1 | -179.4 | 178.7 | -86.9 | -2.8 | 110.7 | W36 D117 A121 M122 I123 E297 L320 | W36-R119 HydrophobicContact CD2-CB 4.17Å; W36-R119 HydrophobicContact CD2-CG 4.04Å; W36-R119 HydrophobicContact CE3-CG 4.27Å; W36-R119 HydrophobicContact CG-CB 4.41Å; W36-R119 HydrophobicContact CH2-CG 3.98Å; W36-R119 HydrophobicContact CZ2-CB 4.1Å; W36-R119 HydrophobicContact CZ2-CG 3.75Å; W36-R119 HydrophobicContact CZ3-CG 4.23Å; D117-R119 PolarHBondContact O-N 3.36Å; D117-R119 WeakPolarHBondContact OD1-CA 3.35Å; D117-R119 VanDerWaalsContact OD1-CB 3.32Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 2.86Å; R119-A121 VanDerWaalsContact C-N 3.32Å; R119-A121 PolarHBondContact O-N 2.83Å; R119-M122 PolarHBondContact O-N 2.95Å; R119-I123 HydrophobicContact CG-CD1 4.43Å; R119-I123 WeakPolarHBondContact O-CG1 3.33Å; R119-I123 PolarHBondContact O-N 2.87Å; R119-E297 IonicContact CZ-OE2 3.6Å; R119-E297 IonicContact NE-OE2 2.8Å; R119-E297 PolarHBondContact NE-OE2 3.12Å; R119-E297 VanDerWaalsContact NE-OE2 3.17Å; R119-E297 IonicContact NH2-OE2 3.77Å; R119-E297 PolarHBondContact NH2-OE2 3.38Å; R119-L320 HydrophobicContact CG-CD2 3.73Å |
| 120 | K | 98.4 | Very high | 98.1 | Very high | 35 Ų | 35 | 29.8 Ų | 29.8 | 15% | 0.152 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 177 | -70.9 | -176.5 | -179.2 | -174.1 | 0 | 111.7 | L116 D117 M122 I123 I124 E288 Y291 | L116-K120 HydrophobicContact CD1-CB 3.5Å; L116-K120 HydrophobicContact CG-CB 4.3Å; D117-K120 PolarHBondContact O-N 2.63Å; D117-K120 WeakPolarHBondContact OD1-CG 3.29Å; D117-K120 PolarHBondContact OD1-N 3.08Å; K120-M122 PolarHBondContact O-N 2.86Å; K120-I123 PolarHBondContact O-N 2.82Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.98Å; K120-E288 VanDerWaalsContact CE-OE1 3.31Å; K120-E288 WeakPolarHBondContact CE-OE1 3.46Å; K120-E288 IonicContact NZ-OE1 3.23Å; K120-E288 PolarHBondContact NZ-OE1 2.72Å; K120-E288 IonicContact NZ-OE2 3.59Å; K120-E288 PolarHBondContact NZ-OE2 2.97Å; K120-Y291 HydrophobicContact CB-CD1 3.96Å; K120-Y291 HydrophobicContact CB-CE1 3.78Å; K120-Y291 HydrophobicContact CD-CD1 4.36Å; K120-Y291 HydrophobicContact CD-CD2 3.99Å; K120-Y291 HydrophobicContact CD-CE1 4.29Å; K120-Y291 HydrophobicContact CD-CE2 3.93Å; K120-Y291 HydrophobicContact CD-CG 4.22Å; K120-Y291 HydrophobicContact CG-CD1 3.84Å; K120-Y291 HydrophobicContact CG-CD2 4.27Å; K120-Y291 HydrophobicContact CG-CE1 4.02Å; K120-Y291 HydrophobicContact CG-CE2 4.45Å; K120-Y291 HydrophobicContact CG-CG 3.97Å |
| 121 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.2 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A66 L84 M112 L116 D117 R119 I124 G125 | A66-A121 HydrophobicContact CB-CB 4.26Å; L84-A121 HydrophobicContact CB-CB 4.45Å; L84-A121 HydrophobicContact CD2-CB 3.95Å; M112-A121 HydrophobicContact CE-CB 3.92Å; M112-A121 HydrophobicContact SD-CB 3.89Å; L116-A121 HydrophobicContact CD2-CB 3.73Å; L116-A121 HydrophobicContact CG-CB 4.07Å; D117-A121 WeakPolarHBondContact O-CB 3.43Å; D117-A121 PolarHBondContact O-N 3.34Å; R119-A121 VanDerWaalsContact C-N 3.32Å; R119-A121 PolarHBondContact O-N 2.83Å; A121-I124 WeakPolarHBondContact O-CB 3.5Å; A121-I124 PolarHBondContact O-N 3.44Å; A121-G125 PolarHBondContact O-N 3.37Å |
| 122 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -85.3 | -24.3 | 179.8 | -68.4 | -63.6 | 103.9 | 0 | 0 | 114.3 | W36 S38 D64 F65 A66 L84 T86 A118 R119 K120 I124 G125 L320 | W36-M122 HydrophobicContact CB-CB 3.84Å; W36-M122 HydrophobicContact CB-CG 3.61Å; W36-M122 WeakPolarHBondContact O-CG 3.29Å; S38-M122 VanDerWaalsContact CB-O 3.28Å; S38-M122 WeakPolarHBondContact CB-O 3.44Å; D64-M122 HydrophobicContact CB-CE 4.09Å; D64-M122 HydrophobicContact CB-SD 3.57Å; D64-M122 VanDerWaalsContact CB-SD 3.57Å; F65-M122 VanDerWaalsContact C-CE 3.47Å; F65-M122 WeakPolarHBondContact CA-SD 3.26Å; F65-M122 VanDerWaalsContact O-CE 3.28Å; F65-M122 WeakPolarHBondContact O-CE 3.22Å; A66-M122 HydrophobicContact CB-CE 4.03Å; A66-M122 HydrophobicContact CB-CG 3.74Å; A66-M122 HydrophobicContact CB-SD 4.36Å; L84-M122 HydrophobicContact CB-CE 4.38Å; T86-M122 HydrophobicContact CG2-CE 4.49Å; A118-M122 PolarHBondContact O-N 3.35Å; R119-M122 PolarHBondContact O-N 2.95Å; K120-M122 PolarHBondContact O-N 2.86Å; M122-I124 VanDerWaalsContact C-N 3.25Å; M122-I124 PolarHBondContact O-N 2.8Å; M122-G125 PolarHBondContact O-N 2.78Å; M122-L320 HydrophobicContact CB-CD1 3.55Å |
| 123 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 164.9 | -67.1 | 168.1 | 0 | 0 | 0 | 109.6 | R119 K120 F290 Y291 A295 R318 L320 | R119-I123 HydrophobicContact CG-CD1 4.43Å; R119-I123 WeakPolarHBondContact O-CG1 3.33Å; R119-I123 PolarHBondContact O-N 2.87Å; K120-I123 PolarHBondContact O-N 2.82Å; I123-F290 HydrophobicContact CG2-CD1 4.47Å; I123-F290 HydrophobicContact CG2-CE1 4.1Å; I123-Y291 HydrophobicContact CB-CD1 4.21Å; I123-Y291 HydrophobicContact CD1-CD1 4.33Å; I123-Y291 HydrophobicContact CG2-CD1 4.02Å; I123-A295 HydrophobicContact CD1-CB 3.72Å; I123-A295 HydrophobicContact CG1-CB 3.77Å; I123-A295 HydrophobicContact CG2-CB 4.08Å; I123-R318 VanDerWaalsContact O-CG 3.26Å; I123-R318 WeakPolarHBondContact O-CG 3.29Å; I123-R318 PolarHBondContact O-NE 3.31Å; I123-L320 HydrophobicContact CD1-CD2 4.24Å; I123-L320 HydrophobicContact CG1-CB 4.41Å; I123-L320 HydrophobicContact CG1-CD1 4.12Å; I123-L320 HydrophobicContact CG1-CD2 3.88Å; I123-L320 HydrophobicContact CG1-CG 4.37Å |
| 124 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.4 | -63.9 | 171.4 | -64.2 | 166.4 | 0 | 0 | 0 | 109.3 | L116 K120 A121 M122 G128 W279 L282 L286 Y291 R318 | L116-I124 HydrophobicContact CD1-CD1 3.92Å; L116-I124 HydrophobicContact CD2-CD1 4.41Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.98Å; A121-I124 WeakPolarHBondContact O-CB 3.5Å; A121-I124 PolarHBondContact O-N 3.44Å; M122-I124 VanDerWaalsContact C-N 3.25Å; M122-I124 PolarHBondContact O-N 2.8Å; I124-G128 WeakPolarHBondContact O-CA 3.33Å; I124-G128 PolarHBondContact O-N 3.05Å; I124-W279 HydrophobicContact CB-CH2 4.18Å; I124-W279 HydrophobicContact CB-CZ3 3.99Å; I124-W279 HydrophobicContact CD1-CZ3 3.92Å; I124-W279 HydrophobicContact CG2-CH2 3.82Å; I124-W279 HydrophobicContact CG2-CZ3 3.69Å; I124-L282 HydrophobicContact CD1-CB 4.24Å; I124-L282 HydrophobicContact CD1-CD2 4.47Å; I124-L282 HydrophobicContact CG2-CD1 3.62Å; I124-L282 HydrophobicContact CG2-CD2 3.93Å; I124-L282 HydrophobicContact CG2-CG 4.34Å; I124-L286 HydrophobicContact CD1-CD1 4.44Å; I124-L286 HydrophobicContact CG1-CD1 4.07Å; I124-Y291 HydrophobicContact CD1-CE1 4.03Å; I124-Y291 HydrophobicContact CG1-CE1 3.99Å; I124-R318 PolarHBondContact O-NE 3.26Å; I124-R318 PolarHBondContact O-NH2 2.88Å; I124-R318 VanDerWaalsContact O-NH2 3.07Å |
| 125 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | 50 | -160.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | D64 A121 M122 A127 G128 F129 | D64-G125 WeakPolarHBondContact OD2-CA 3.48Å; A121-G125 PolarHBondContact O-N 3.37Å; M122-G125 PolarHBondContact O-N 2.78Å; G125-A127 VanDerWaalsContact C-N 3.26Å; G125-A127 PolarHBondContact O-N 2.97Å; G125-G128 PolarHBondContact O-N 3.3Å; G125-F129 VanDerWaalsContact O-CB 3.24Å; G125-F129 WeakPolarHBondContact O-CB 3.39Å; G125-F129 PolarHBondContact O-N 2.93Å |
| 126 | T | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 12.2 Ų | 12.2 | 8% | 0.08 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.2 | -38.6 | 177.3 | -79.8 | 0 | 0 | 0 | 0 | 111.6 | I63 D64 T86 T130 | I63-T126 HydrophobicContact CD1-CG2 3.78Å; D64-T126 VanDerWaalsContact CG-N 3.31Å; D64-T126 WeakPolarHBondContact OD1-CB 3.34Å; D64-T126 PolarHBondContact OD1-N 3.26Å; D64-T126 VanDerWaalsContact OD1-N 3.15Å; D64-T126 PolarHBondContact OD1-OG1 2.89Å; D64-T126 PolarHBondContact OD2-N 3.46Å; T86-T126 WeakPolarHBondContact CB-OG1 3.01Å; T126-T130 VanDerWaalsContact O-CB 3.3Å; T126-T130 WeakPolarHBondContact O-CB 3.42Å; T126-T130 PolarHBondContact O-N 3.02Å; T126-T130 PolarHBondContact O-OG1 3.05Å |
| 127 | A | 98.7 | Very high | 98.7 | Very high | 7 Ų | 7 | 11.9 Ų | 11.9 | 6% | 0.058 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.1 | -46 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N40 G125 T130 A131 V159 R318 | N40-A127 PolarHBondContact OD1-N 3.34Å; G125-A127 VanDerWaalsContact C-N 3.26Å; G125-A127 PolarHBondContact O-N 2.97Å; A127-T130 PolarHBondContact O-N 3.37Å; A127-A131 PolarHBondContact O-N 2.88Å; A127-V159 HydrophobicContact CB-CG2 3.76Å; A127-R318 VanDerWaalsContact CB-CZ 3.49Å |
| 128 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -69.6 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I124 G125 T130 A131 M132 T162 | I124-G128 WeakPolarHBondContact O-CA 3.33Å; I124-G128 PolarHBondContact O-N 3.05Å; G125-G128 PolarHBondContact O-N 3.3Å; G128-T130 PolarHBondContact O-N 2.9Å; G128-A131 WeakPolarHBondContact O-CB 3.19Å; G128-A131 PolarHBondContact O-N 2.98Å; G128-M132 PolarHBondContact O-N 3Å; G128-T162 VanDerWaalsContact CA-CG2 3.48Å; G128-T162 WeakPolarHBondContact CA-OG1 3.41Å |
| 129 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -57.8 | -46.5 | 171 | 177.5 | -103 | 0 | 0 | 0 | 112.1 | G125 A131 M132 L133 T270 R275 A278 W279 L282 | G125-F129 VanDerWaalsContact O-CB 3.24Å; G125-F129 WeakPolarHBondContact O-CB 3.39Å; G125-F129 PolarHBondContact O-N 2.93Å; F129-A131 VanDerWaalsContact C-N 3.33Å; F129-A131 PolarHBondContact O-N 3.4Å; F129-M132 PolarHBondContact O-N 3.12Å; F129-L133 HydrophobicContact CD1-CD1 3.98Å; F129-L133 HydrophobicContact CE1-CD1 3.49Å; F129-L133 VanDerWaalsContact CE1-CD1 3.49Å; F129-L133 HydrophobicContact CE1-CG 4.24Å; F129-L133 HydrophobicContact CZ-CD1 3.92Å; F129-L133 HydrophobicContact CZ-CD2 4.4Å; F129-L133 HydrophobicContact CZ-CG 4.31Å; F129-L133 WeakPolarHBondContact O-CG 3.37Å; F129-L133 PolarHBondContact O-N 3.39Å; F129-T270 HydrophobicContact CE1-CG2 4.47Å; F129-T270 HydrophobicContact CZ-CG2 3.96Å; F129-R275 HydrophobicContact CE2-CB 4.24Å; F129-R275 HydrophobicContact CE2-CG 3.84Å; F129-R275 HydrophobicContact CZ-CB 4Å; F129-R275 HydrophobicContact CZ-CG 3.8Å; F129-A278 HydrophobicContact CD2-CB 4.04Å; F129-A278 HydrophobicContact CE2-CB 3.65Å; F129-A278 HydrophobicContact CZ-CB 4.48Å; F129-W279 HydrophobicContact CB-CZ2 4.48Å; F129-W279 AromaticContact CD2-CE2 3.98Å; F129-W279 HydrophobicContact CD2-CZ2 4.42Å; F129-W279 AromaticContact CD2-NE1 3.73Å; F129-W279 AromaticContact CE2-NE1 3.88Å; F129-L282 HydrophobicContact CB-CD1 4.49Å; F129-L282 HydrophobicContact CD2-CD1 4.46Å |
| 130 | T | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 11.5 Ų | 11.5 | 4% | 0.037 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | T126 A127 G128 M132 L133 C134 C240 V265 S267 | T126-T130 VanDerWaalsContact O-CB 3.3Å; T126-T130 WeakPolarHBondContact O-CB 3.42Å; T126-T130 PolarHBondContact O-N 3.02Å; T126-T130 PolarHBondContact O-OG1 3.05Å; A127-T130 PolarHBondContact O-N 3.37Å; G128-T130 PolarHBondContact O-N 2.9Å; T130-M132 VanDerWaalsContact C-N 3.34Å; T130-M132 PolarHBondContact O-N 3.22Å; T130-L133 PolarHBondContact O-N 3.34Å; T130-C134 PolarHBondContact O-N 3.43Å; T130-C134 PolarHBondContact O-SG 3.04Å; T130-C134 VanDerWaalsContact O-SG 3.32Å; T130-C240 HydrophobicContact CG2-CB 3.54Å; T130-V265 HydrophobicContact CG2-CG1 4.24Å; T130-S267 VanDerWaalsContact OG1-CB 3.22Å; T130-S267 WeakPolarHBondContact OG1-CB 3.3Å; T130-S267 PolarHBondContact OG1-OG 3.22Å; T130-S267 VanDerWaalsContact OG1-OG 3.07Å |
| 131 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A127 G128 F129 C134 V135 V159 T162 A163 L166 | A127-A131 PolarHBondContact O-N 2.88Å; G128-A131 WeakPolarHBondContact O-CB 3.19Å; G128-A131 PolarHBondContact O-N 2.98Å; F129-A131 VanDerWaalsContact C-N 3.33Å; F129-A131 PolarHBondContact O-N 3.4Å; A131-C134 WeakPolarHBondContact O-CB 3.27Å; A131-C134 PolarHBondContact O-N 2.87Å; A131-V135 WeakPolarHBondContact O-CG2 3.49Å; A131-V135 PolarHBondContact O-N 3.09Å; A131-V159 HydrophobicContact CB-CG1 4.01Å; A131-T162 HydrophobicContact CB-CG2 4Å; A131-A163 HydrophobicContact CB-CB 4.08Å; A131-L166 HydrophobicContact CB-CD1 4.32Å |
| 132 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.4 | -170.1 | 66.8 | -119.5 | 0 | 0 | 111.9 | G128 F129 T130 C134 V135 M136 L166 A278 R281 L282 | G128-M132 PolarHBondContact O-N 3Å; F129-M132 PolarHBondContact O-N 3.12Å; T130-M132 VanDerWaalsContact C-N 3.34Å; T130-M132 PolarHBondContact O-N 3.22Å; M132-C134 VanDerWaalsContact C-N 3.28Å; M132-C134 PolarHBondContact O-N 2.79Å; M132-V135 HydrophobicContact CE-CB 3.9Å; M132-V135 HydrophobicContact CE-CG1 3.73Å; M132-V135 PolarHBondContact O-N 3.12Å; M132-M136 HydrophobicContact CE-CG 3.6Å; M132-M136 HydrophobicContact CE-SD 4.16Å; M132-M136 HydrophobicContact CG-SD 3.98Å; M132-M136 VanDerWaalsContact O-CG 3.28Å; M132-M136 WeakPolarHBondContact O-CG 3.46Å; M132-M136 PolarHBondContact O-N 2.88Å; M132-L166 HydrophobicContact CB-CD1 4.22Å; M132-L166 HydrophobicContact SD-CD1 3.96Å; M132-L166 HydrophobicContact SD-CD2 4.04Å; M132-A278 HydrophobicContact CG-CB 4.16Å; M132-R281 HydrophobicContact CE-CB 3.78Å; M132-R281 HydrophobicContact CE-CG 4.24Å; M132-R281 HydrophobicContact CG-CB 3.93Å; M132-R281 HydrophobicContact SD-CB 3.6Å; M132-R281 VanDerWaalsContact SD-CB 3.6Å; M132-L282 HydrophobicContact CB-CD1 4.17Å; M132-L282 HydrophobicContact CB-CD2 3.95Å; M132-L282 HydrophobicContact CB-CG 3.8Å; M132-L282 HydrophobicContact CG-CD2 4.45Å; M132-L282 HydrophobicContact CG-CG 3.95Å; M132-L282 HydrophobicContact SD-CG 4.46Å |
| 133 | L | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 13.5 Ų | 13.5 | 5% | 0.052 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.9 | -38.1 | 174.4 | -66.8 | 176.1 | 0 | 0 | 0 | 112.2 | F129 T130 M136 A137 V265 T270 R274 A278 | F129-L133 HydrophobicContact CD1-CD1 3.98Å; F129-L133 HydrophobicContact CE1-CD1 3.49Å; F129-L133 VanDerWaalsContact CE1-CD1 3.49Å; F129-L133 HydrophobicContact CE1-CG 4.24Å; F129-L133 HydrophobicContact CZ-CD1 3.92Å; F129-L133 HydrophobicContact CZ-CD2 4.4Å; F129-L133 HydrophobicContact CZ-CG 4.31Å; F129-L133 WeakPolarHBondContact O-CG 3.37Å; F129-L133 PolarHBondContact O-N 3.39Å; T130-L133 PolarHBondContact O-N 3.34Å; L133-M136 HydrophobicContact CD2-SD 4.49Å; L133-M136 PolarHBondContact O-N 3.44Å; L133-A137 WeakPolarHBondContact O-CB 3.28Å; L133-A137 PolarHBondContact O-N 3.24Å; L133-V265 HydrophobicContact CB-CG1 3.6Å; L133-V265 HydrophobicContact CD1-CG1 4.25Å; L133-T270 HydrophobicContact CD1-CG2 4.2Å; L133-T270 WeakPolarHBondContact CD1-OG1 3.23Å; L133-T270 HydrophobicContact CD2-CG2 4.07Å; L133-R274 HydrophobicContact CD2-CG 4.07Å; L133-A278 HydrophobicContact CD2-CB 3.91Å; L133-A278 HydrophobicContact CG-CB 4.49Å |
| 134 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.5 | -43.6 | 173.7 | -69 | 0 | 0 | 0 | 0 | 112.1 | T130 A131 M132 A137 L138 I216 A238 | T130-C134 PolarHBondContact O-N 3.43Å; T130-C134 PolarHBondContact O-SG 3.04Å; T130-C134 VanDerWaalsContact O-SG 3.32Å; A131-C134 WeakPolarHBondContact O-CB 3.27Å; A131-C134 PolarHBondContact O-N 2.87Å; M132-C134 VanDerWaalsContact C-N 3.28Å; M132-C134 PolarHBondContact O-N 2.79Å; C134-A137 WeakPolarHBondContact O-CB 3.37Å; C134-A137 PolarHBondContact O-N 2.94Å; C134-L138 WeakPolarHBondContact O-CG 3.37Å; C134-L138 PolarHBondContact O-N 2.85Å; C134-L138 VanDerWaalsContact O-N 3.1Å; C134-I216 HydrophobicContact CB-CB 4.41Å; C134-I216 HydrophobicContact CB-CD1 3.72Å; C134-I216 HydrophobicContact CB-CG1 3.88Å; C134-I216 HydrophobicContact CB-CG2 3.74Å; C134-A238 HydrophobicContact CB-CB 3.7Å |
| 135 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 174.5 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | A131 M132 A137 L138 E139 L166 L167 L170 I216 | A131-V135 WeakPolarHBondContact O-CG2 3.49Å; A131-V135 PolarHBondContact O-N 3.09Å; M132-V135 HydrophobicContact CE-CB 3.9Å; M132-V135 HydrophobicContact CE-CG1 3.73Å; M132-V135 PolarHBondContact O-N 3.12Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 2.86Å; V135-L138 WeakPolarHBondContact O-CB 3.47Å; V135-L138 PolarHBondContact O-N 2.81Å; V135-L138 VanDerWaalsContact O-N 3.07Å; V135-E139 WeakPolarHBondContact O-CG 3.35Å; V135-E139 PolarHBondContact O-N 2.88Å; V135-L166 HydrophobicContact CG2-CB 4.15Å; V135-L166 HydrophobicContact CG2-CD1 4.35Å; V135-L167 HydrophobicContact CG2-CD2 4.08Å; V135-L167 HydrophobicContact CG2-CG 4.13Å; V135-L170 HydrophobicContact CG1-CD1 3.55Å; V135-I216 HydrophobicContact CG2-CD1 3.81Å |
| 136 | M | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.9 | -35.8 | 177 | -66.7 | 163.8 | 66.6 | 0 | 0 | 112 | M132 L133 L138 E139 D140 Q277 A278 | M132-M136 HydrophobicContact CE-CG 3.6Å; M132-M136 HydrophobicContact CE-SD 4.16Å; M132-M136 HydrophobicContact CG-SD 3.98Å; M132-M136 VanDerWaalsContact O-CG 3.28Å; M132-M136 WeakPolarHBondContact O-CG 3.46Å; M132-M136 PolarHBondContact O-N 2.88Å; L133-M136 HydrophobicContact CD2-SD 4.49Å; L133-M136 PolarHBondContact O-N 3.44Å; M136-L138 VanDerWaalsContact C-N 3.35Å; M136-L138 PolarHBondContact O-N 3.1Å; M136-E139 PolarHBondContact O-N 3.27Å; M136-D140 WeakPolarHBondContact O-CB 3.42Å; M136-D140 PolarHBondContact O-N 2.95Å; M136-Q277 HydrophobicContact CE-CB 4.26Å; M136-Q277 VanDerWaalsContact CE-CD 3.48Å; M136-Q277 HydrophobicContact CE-CG 3.82Å; M136-A278 HydrophobicContact SD-CB 3.86Å |
| 137 | A | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 7% | 0.066 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -35.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L133 C134 V135 A141 A238 Q263 V265 | L133-A137 WeakPolarHBondContact O-CB 3.28Å; L133-A137 PolarHBondContact O-N 3.24Å; C134-A137 WeakPolarHBondContact O-CB 3.37Å; C134-A137 PolarHBondContact O-N 2.94Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 2.86Å; A137-A141 PolarHBondContact O-N 2.83Å; A137-A238 HydrophobicContact CB-CB 4.22Å; A137-Q263 HydrophobicContact CB-CB 4.48Å; A137-Q263 HydrophobicContact CB-CG 3.87Å; A137-V265 HydrophobicContact CB-CG2 4.42Å |
| 138 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.1 | -41.7 | 173.5 | -63.2 | -177.4 | 0 | 0 | 0 | 111.2 | C134 V135 M136 A141 G142 V143 I150 I216 C236 A238 | C134-L138 WeakPolarHBondContact O-CG 3.37Å; C134-L138 PolarHBondContact O-N 2.85Å; C134-L138 VanDerWaalsContact O-N 3.1Å; V135-L138 WeakPolarHBondContact O-CB 3.47Å; V135-L138 PolarHBondContact O-N 2.81Å; V135-L138 VanDerWaalsContact O-N 3.07Å; M136-L138 VanDerWaalsContact C-N 3.35Å; M136-L138 PolarHBondContact O-N 3.1Å; L138-A141 CarbonylContact O-C 3.41Å; L138-A141 WeakPolarHBondContact O-CA 3.3Å; L138-A141 WeakPolarHBondContact O-CB 3.44Å; L138-A141 PolarHBondContact O-N 3.19Å; L138-A141 VanDerWaalsContact O-N 3.1Å; L138-G142 PolarHBondContact O-N 2.96Å; L138-V143 HydrophobicContact CB-CB 4.21Å; L138-V143 WeakPolarHBondContact O-CB 3.38Å; L138-V143 PolarHBondContact O-N 3.41Å; L138-I150 HydrophobicContact CD1-CG2 4.18Å; L138-I216 HydrophobicContact CD1-CD1 4.26Å; L138-I216 HydrophobicContact CD1-CG1 3.88Å; L138-C236 HydrophobicContact CD2-CB 3.87Å; L138-C236 VanDerWaalsContact CD2-O 3.27Å; L138-C236 WeakPolarHBondContact CD2-O 3.46Å; L138-A238 HydrophobicContact CD2-CB 4.39Å |
| 139 | E | 98.7 | Very high | 98.7 | Very high | 60 Ų | 60 | 33 Ų | 33 | 28% | 0.28 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.9 | -67.7 | 170.6 | 166 | 0 | 0 | 111.5 | V135 M136 A141 G142 R281 | V135-E139 WeakPolarHBondContact O-CG 3.35Å; V135-E139 PolarHBondContact O-N 2.88Å; M136-E139 PolarHBondContact O-N 3.27Å; E139-A141 PolarHBondContact O-N 3.42Å; E139-G142 WeakPolarHBondContact O-CA 3.18Å; E139-G142 PolarHBondContact O-N 3.33Å; E139-R281 IonicContact OE1-CZ 2.76Å; E139-R281 IonicContact OE1-NH1 3.33Å; E139-R281 PolarHBondContact OE1-NH1 3.33Å; E139-R281 IonicContact OE1-NH2 2.71Å; E139-R281 PolarHBondContact OE1-NH2 2.91Å; E139-R281 IonicContact OE2-CZ 2.73Å; E139-R281 IonicContact OE2-NH1 3.23Å; E139-R281 PolarHBondContact OE2-NH1 2.9Å; E139-R281 IonicContact OE2-NH2 3.45Å |
| 140 | D | 98.6 | Very high | 98.7 | Very high | 98 Ų | 98 | 33 Ų | 33 | 52% | 0.524 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.4 | -20.5 | 175.1 | -68 | -24 | 0 | 0 | 0 | 112.6 | M136 G142 R261 R274 | M136-D140 WeakPolarHBondContact O-CB 3.42Å; M136-D140 PolarHBondContact O-N 2.95Å; D140-G142 VanDerWaalsContact C-N 3.32Å; D140-R261 PolarHBondContact O-NH1 3.38Å; D140-R274 IonicContact OD2-CZ 2.61Å; D140-R274 IonicContact OD2-NH1 3.1Å; D140-R274 PolarHBondContact OD2-NH1 2.79Å; D140-R274 IonicContact OD2-NH2 3.26Å; D140-R274 PolarHBondContact OD2-NH2 2.89Å |
| 141 | A | 98.7 | Very high | 98.7 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A137 L138 E139 V143 C236 R261 | A137-A141 PolarHBondContact O-N 2.83Å; L138-A141 CarbonylContact O-C 3.41Å; L138-A141 WeakPolarHBondContact O-CA 3.3Å; L138-A141 WeakPolarHBondContact O-CB 3.44Å; L138-A141 PolarHBondContact O-N 3.19Å; L138-A141 VanDerWaalsContact O-N 3.1Å; E139-A141 PolarHBondContact O-N 3.42Å; A141-V143 HydrophobicContact CB-CG2 4.29Å; A141-C236 HydrophobicContact CB-CB 3.47Å; A141-C236 VanDerWaalsContact CB-CB 3.47Å; A141-R261 VanDerWaalsContact CA-NH1 3.34Å |
| 142 | G | 98.6 | Very high | 98.7 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 47% | 0.474 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 15.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L138 E139 D140 R144 | L138-G142 PolarHBondContact O-N 2.96Å; E139-G142 WeakPolarHBondContact O-CA 3.18Å; E139-G142 PolarHBondContact O-N 3.33Å; D140-G142 VanDerWaalsContact C-N 3.32Å; G142-R144 PolarHBondContact O-N 2.9Å |
| 143 | V | 98.7 | Very high | 98.7 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | trans | -77.2 | 115.6 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | L138 A141 I150 Y172 A213 C236 | L138-V143 HydrophobicContact CB-CB 4.21Å; L138-V143 WeakPolarHBondContact O-CB 3.38Å; L138-V143 PolarHBondContact O-N 3.41Å; A141-V143 HydrophobicContact CB-CG2 4.29Å; V143-I150 HydrophobicContact CG1-CD1 3.63Å; V143-Y172 HydrophobicContact CG1-CE1 4.25Å; V143-Y172 PolarHBondContact O-OH 3.22Å; V143-A213 HydrophobicContact CG1-CB 4.36Å; V143-C236 HydrophobicContact CG2-CB 4.05Å | ||
| 144 | R | 98.7 | Very high | 98.6 | Very high | 128 Ų | 128 | 33.3 Ų | 33.3 | 48% | 0.483 | 19% | 0.191 | S | C | . | . | trans | -115.3 | 160.2 | -177.9 | -54.3 | 164.1 | -60.5 | 171.3 | 8.2 | 111.1 | G142 Q146 D147 | G142-R144 PolarHBondContact O-N 2.9Å; R144-Q146 VanDerWaalsContact CB-OE1 3.26Å; R144-Q146 PolarHBondContact O-N 3.47Å; R144-Q146 VanDerWaalsContact O-N 3.09Å; R144-D147 WeakPolarHBondContact CA-OD2 3.49Å; R144-D147 VanDerWaalsContact CB-OD2 3.31Å; R144-D147 WeakPolarHBondContact CB-OD2 3.26Å; R144-D147 IonicContact CZ-OD1 2.71Å; R144-D147 IonicContact CZ-OD2 3.25Å; R144-D147 PolarHBondContact N-OD2 3.07Å; R144-D147 IonicContact NE-OD1 2.72Å; R144-D147 IonicContact NE-OD2 3.57Å; R144-D147 PolarHBondContact NE-OD2 3.32Å; R144-D147 VanDerWaalsContact NE-OD2 3.16Å; R144-D147 IonicContact NH2-OD1 3.55Å; R144-D147 PolarHBondContact NH2-OD1 2.76Å; R144-D147 IonicContact NH2-OD2 2.93Å; R144-D147 WeakPolarHBondContact O-CB 3.43Å; R144-D147 PolarHBondContact O-N 2.95Å | ||
| 145 | P | 98.4 | Very high | 98.6 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -52.3 | -34.6 | -178.4 | -31.3 | 37.9 | 0 | 0 | 0 | 115.3 | D147 L170 Y172 | P145-D147 VanDerWaalsContact C-N 3.31Å; P145-D147 PolarHBondContact O-N 3.23Å; P145-L170 WeakPolarHBondContact CG-O 3.3Å; P145-Y172 HydrophobicContact CB-CD1 4.3Å; P145-Y172 HydrophobicContact CB-CG 4.4Å; P145-Y172 HydrophobicContact CG-CD1 4.18Å; P145-Y172 HydrophobicContact CG-CD2 4.02Å; P145-Y172 HydrophobicContact CG-CE1 4.06Å; P145-Y172 HydrophobicContact CG-CE2 3.89Å; P145-Y172 HydrophobicContact CG-CG 4.17Å |
| 146 | Q | 97.9 | Very high | 98.6 | Very high | 130 Ų | 130 | 33.5 Ų | 33.5 | 61% | 0.607 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -77.1 | -11.1 | -179.9 | 67.5 | -89.9 | 29.2 | 0 | 0 | 114.7 | R144 G148 | R144-Q146 VanDerWaalsContact CB-OE1 3.26Å; R144-Q146 PolarHBondContact O-N 3.47Å; R144-Q146 VanDerWaalsContact O-N 3.09Å; Q146-G148 VanDerWaalsContact C-N 3.32Å |
| 147 | D | 98.3 | Very high | 98.5 | Very high | 61 Ų | 61 | 34.7 Ų | 34.7 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -80.8 | -14.3 | -173.7 | -60.7 | -36.1 | 0 | 0 | 0 | 112.4 | R144 P145 A213 | R144-D147 WeakPolarHBondContact CA-OD2 3.49Å; R144-D147 VanDerWaalsContact CB-OD2 3.31Å; R144-D147 WeakPolarHBondContact CB-OD2 3.26Å; R144-D147 IonicContact CZ-OD1 2.71Å; R144-D147 IonicContact CZ-OD2 3.25Å; R144-D147 PolarHBondContact N-OD2 3.07Å; R144-D147 IonicContact NE-OD1 2.72Å; R144-D147 IonicContact NE-OD2 3.57Å; R144-D147 PolarHBondContact NE-OD2 3.32Å; R144-D147 VanDerWaalsContact NE-OD2 3.16Å; R144-D147 IonicContact NH2-OD1 3.55Å; R144-D147 PolarHBondContact NH2-OD1 2.76Å; R144-D147 IonicContact NH2-OD2 2.93Å; R144-D147 WeakPolarHBondContact O-CB 3.43Å; R144-D147 PolarHBondContact O-N 2.95Å; P145-D147 VanDerWaalsContact C-N 3.31Å; P145-D147 PolarHBondContact O-N 3.23Å; D147-A213 HydrophobicContact CB-CB 4.19Å |
| 148 | G | 98 | Very high | 98.5 | Very high | 27 Ų | 27 | 35 Ų | 35 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | trans | 141.7 | -166.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q146 | Q146-G148 VanDerWaalsContact C-N 3.32Š| ||
| 149 | E | 98.7 | Very high | 98.5 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 141.9 | 179.2 | -65.4 | 179.7 | 146.7 | 0 | 0 | 111.7 | Q173 V175 R194 W212 A213 | E149-Q173 WeakPolarHBondContact CA-O 3.38Å; E149-Q173 HydrophobicContact CG-CB 4.34Å; E149-V175 HydrophobicContact CB-CG2 4.21Å; E149-V175 HydrophobicContact CG-CG2 4.38Å; E149-R194 IonicContact OE1-CZ 3.54Å; E149-R194 VanDerWaalsContact OE1-CZ 3.26Å; E149-R194 IonicContact OE1-NH1 2.67Å; E149-R194 PolarHBondContact OE1-NH1 3.44Å; E149-R194 IonicContact OE1-NH2 3.45Å; E149-R194 PolarHBondContact OE1-NH2 3.24Å; E149-R194 IonicContact OE2-CZ 3.3Å; E149-R194 IonicContact OE2-NH1 3.39Å; E149-R194 IonicContact OE2-NH2 4Å; E149-R194 PolarHBondContact OE2-NH2 2.8Å; E149-W212 HydrophobicContact CB-CE3 4.1Å; E149-W212 HydrophobicContact CB-CZ3 4.17Å; E149-A213 PolarHBondContact O-N 3Å |
| 150 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129 | 172.9 | -52.1 | -59.3 | 0 | 0 | 0 | 109.2 | L138 V143 L167 Y172 Q173 V174 V175 A213 G214 | L138-I150 HydrophobicContact CD1-CG2 4.18Å; V143-I150 HydrophobicContact CG1-CD1 3.63Å; I150-L167 HydrophobicContact CB-CD1 4.31Å; I150-L167 HydrophobicContact CG2-CD1 3.58Å; I150-L167 HydrophobicContact CG2-CD2 4.29Å; I150-Y172 HydrophobicContact CD1-CD1 3.85Å; I150-Y172 HydrophobicContact CD1-CE1 4.21Å; I150-Y172 HydrophobicContact CG1-CD1 3.4Å; I150-Y172 VanDerWaalsContact CG1-CD1 3.4Å; I150-Y172 HydrophobicContact CG1-CE1 4.19Å; I150-Y172 HydrophobicContact CG1-CG 3.97Å; I150-Q173 PolarHBondContact N-O 2.77Å; I150-V174 WeakPolarHBondContact O-CA 3.33Å; I150-V175 PolarHBondContact O-N 3.1Å; I150-A213 HydrophobicContact CD1-CB 4.16Å; I150-G214 WeakPolarHBondContact CA-O 3.3Å |
| 151 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.7 | 175.9 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | V175 V177 W212 G214 A215 I216 V227 | V151-V175 CarbonylContact C-O 3.56Å; V151-V175 WeakPolarHBondContact CA-O 3.48Å; V151-V177 HydrophobicContact CG2-CG2 3.58Å; V151-W212 HydrophobicContact CB-CD2 3.82Å; V151-W212 HydrophobicContact CB-CE3 3.99Å; V151-W212 HydrophobicContact CB-CG 4.19Å; V151-W212 HydrophobicContact CB-CZ3 4.42Å; V151-W212 HydrophobicContact CG1-CB 4.19Å; V151-W212 HydrophobicContact CG1-CD2 3.86Å; V151-W212 HydrophobicContact CG1-CE3 4.47Å; V151-W212 HydrophobicContact CG1-CG 3.68Å; V151-W212 HydrophobicContact CG2-CZ2 4.5Å; V151-G214 PolarHBondContact N-O 3.22Å; V151-G214 VanDerWaalsContact N-O 3.07Å; V151-A215 HydrophobicContact CG1-CB 3.42Å; V151-A215 VanDerWaalsContact CG1-CB 3.42Å; V151-A215 CarbonylContact O-C 3.41Å; V151-A215 WeakPolarHBondContact O-CA 3.32Å; V151-I216 PolarHBondContact O-N 3.44Å; V151-V227 HydrophobicContact CG1-CG1 4.05Å; V151-V227 HydrophobicContact CG1-CG2 4.46Å |
| 152 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.2 | 172.8 | -179 | 0 | 0 | 0 | 0 | 108.7 | A155 A163 V164 L167 V174 V175 V177 I216 | V152-A155 HydrophobicContact CG1-CB 4.23Å; V152-A163 HydrophobicContact CG1-CB 4.01Å; V152-A163 HydrophobicContact CG2-CB 4.3Å; V152-V164 HydrophobicContact CB-CG2 4.12Å; V152-V164 HydrophobicContact CG1-CG2 4.17Å; V152-V164 HydrophobicContact CG2-CG2 4.21Å; V152-L167 HydrophobicContact CG2-CD1 3.67Å; V152-V174 HydrophobicContact CG2-CG1 3.8Å; V152-V175 PolarHBondContact N-O 3.16Å; V152-V177 PolarHBondContact O-N 3.01Å; V152-I216 WeakPolarHBondContact CA-O 3.44Å; V152-I216 HydrophobicContact CG2-CB 4.5Å |
| 153 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 157.5 | 177.3 | 79.1 | 0 | 0 | 0 | 0 | 111.4 | A155 I216 D217 T218 V219 V223 V227 | T153-A155 PolarHBondContact O-N 3.47Å; T153-A155 VanDerWaalsContact O-N 3.14Å; T153-I216 PolarHBondContact N-O 2.98Å; T153-D217 WeakPolarHBondContact CB-OD1 3.48Å; T153-D217 WeakPolarHBondContact CG2-OD1 3.43Å; T153-D217 VanDerWaalsContact OG1-CA 3.31Å; T153-D217 WeakPolarHBondContact OG1-CA 3.27Å; T153-D217 PolarHBondContact OG1-OD1 2.9Å; T153-T218 PolarHBondContact O-OG1 2.84Å; T153-T218 PolarHBondContact OG1-N 3.1Å; T153-V219 WeakPolarHBondContact OG1-CG2 3.41Å; T153-V223 HydrophobicContact CG2-CG1 3.82Å; T153-V227 HydrophobicContact CG2-CG2 3.97Å |
| 154 | G | 98.2 | Very high | 98.5 | Very high | 23 Ų | 23 | 25.1 Ų | 25.1 | 24% | 0.237 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 32.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S156 G157 V177 | G154-S156 PolarHBondContact O-N 3.27Å; G154-G157 PolarHBondContact O-N 3.32Å; G154-V177 PolarHBondContact N-O 3.24Å |
| 155 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.3 | -158.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V152 T153 G157 G160 S161 V164 A176 V177 L187 | V152-A155 HydrophobicContact CG1-CB 4.23Å; T153-A155 PolarHBondContact O-N 3.47Å; T153-A155 VanDerWaalsContact O-N 3.14Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.41Å; A155-G160 CarbonylContact O-C 3.56Å; A155-S161 PolarHBondContact O-N 2.86Å; A155-V164 HydrophobicContact CB-CG2 4.37Å; A155-A176 HydrophobicContact CB-CB 3.58Å; A155-V177 PolarHBondContact N-O 3.23Å; A155-L187 HydrophobicContact CB-CD1 4.24Å; A155-L187 HydrophobicContact CB-CD2 3.61Å; A155-L187 WeakPolarHBondContact O-CD2 3.14Å |
| 156 | S | 98.1 | Very high | 98.5 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12.1 | 179.8 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | G154 S161 R180 Q316 G317 | G154-S156 PolarHBondContact O-N 3.27Å; S156-S161 PolarHBondContact O-OG 3.02Å; S156-R180 PolarHBondContact OG-NH2 2.9Å; S156-Q316 CarbonylContact O-C 3.22Å; S156-Q316 VanDerWaalsContact O-CA 3.28Å; S156-Q316 WeakPolarHBondContact O-CA 3.23Å; S156-G317 PolarHBondContact O-N 2.96Å |
| 157 | G | 97.8 | Very high | 98.6 | Very high | 26 Ų | 26 | 10.8 Ų | 10.8 | 27% | 0.268 | 8% | 0.08 | S | C | . | . | S | Bend | trans | -79.4 | -177.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G154 A155 G160 S161 | G154-G157 PolarHBondContact O-N 3.32Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.41Å; G157-G160 PolarHBondContact O-N 2.88Å; G157-S161 VanDerWaalsContact O-CB 3.23Å; G157-S161 WeakPolarHBondContact O-CB 3.44Å; G157-S161 PolarHBondContact O-N 3.04Å; G157-S161 PolarHBondContact O-OG 3.07Å |
| 158 | G | 97.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 12.7 Ų | 12.7 | 17% | 0.165 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.8 | -48.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T162 G317 R318 | G158-T162 PolarHBondContact O-N 3.32Å; G158-T162 PolarHBondContact O-OG1 3.39Å; G158-G317 VanDerWaalsContact CA-O 3.22Å; G158-G317 WeakPolarHBondContact CA-O 3.26Å; G158-G317 PolarHBondContact N-O 3.29Å; G158-R318 VanDerWaalsContact CA-CD 3.43Å |
| 159 | V | 98.7 | Very high | 98.6 | Very high | 27 Ų | 27 | 17.3 Ų | 17.3 | 16% | 0.164 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67 | -49.7 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | A127 A131 S161 T162 A163 T218 | A127-V159 HydrophobicContact CB-CG2 3.76Å; A131-V159 HydrophobicContact CB-CG1 4.01Å; V159-S161 PolarHBondContact O-N 2.93Å; V159-T162 PolarHBondContact O-N 3.45Å; V159-A163 WeakPolarHBondContact O-CB 3.42Å; V159-A163 PolarHBondContact O-N 2.95Å; V159-T218 HydrophobicContact CB-CG2 3.84Å; V159-T218 HydrophobicContact CG1-CG2 3.73Å |
| 160 | G | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -43.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A155 G157 T162 A163 V164 | A155-G160 CarbonylContact O-C 3.56Å; G157-G160 PolarHBondContact O-N 2.88Å; G160-T162 VanDerWaalsContact C-N 3.34Å; G160-T162 PolarHBondContact O-N 2.88Å; G160-A163 PolarHBondContact O-N 2.79Å; G160-V164 VanDerWaalsContact O-CG2 3.32Å; G160-V164 WeakPolarHBondContact O-CG2 3.22Å; G160-V164 PolarHBondContact O-N 2.91Å |
| 161 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | A155 S156 G157 V159 A165 Y186 | A155-S161 PolarHBondContact O-N 2.86Å; S156-S161 PolarHBondContact O-OG 3.02Å; G157-S161 VanDerWaalsContact O-CB 3.23Å; G157-S161 WeakPolarHBondContact O-CB 3.44Å; G157-S161 PolarHBondContact O-N 3.04Å; G157-S161 PolarHBondContact O-OG 3.07Å; V159-S161 PolarHBondContact O-N 2.93Å; S161-A165 PolarHBondContact O-N 3.05Å; S161-Y186 WeakPolarHBondContact CB-OH 3.46Å; S161-Y186 WeakPolarHBondContact OG-CE1 3.34Å; S161-Y186 PolarHBondContact OG-OH 2.86Å |
| 162 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 178.6 | -44 | 0 | 0 | 0 | 0 | 110.8 | G128 A131 G158 V159 G160 V164 A165 L166 L282 L286 F290 | G128-T162 VanDerWaalsContact CA-CG2 3.48Å; G128-T162 WeakPolarHBondContact CA-OG1 3.41Å; A131-T162 HydrophobicContact CB-CG2 4Å; G158-T162 PolarHBondContact O-N 3.32Å; G158-T162 PolarHBondContact O-OG1 3.39Å; V159-T162 PolarHBondContact O-N 3.45Å; G160-T162 VanDerWaalsContact C-N 3.34Å; G160-T162 PolarHBondContact O-N 2.88Å; T162-V164 PolarHBondContact O-N 3.24Å; T162-A165 PolarHBondContact O-N 3.19Å; T162-L166 HydrophobicContact CG2-CD1 3.85Å; T162-L166 HydrophobicContact CG2-CG 4.26Å; T162-L166 WeakPolarHBondContact O-CB 3.46Å; T162-L166 VanDerWaalsContact O-CG 3.3Å; T162-L166 WeakPolarHBondContact O-CG 3.49Å; T162-L166 PolarHBondContact O-N 3.32Å; T162-L282 HydrophobicContact CG2-CD2 4.48Å; T162-L286 HydrophobicContact CG2-CD1 3.65Å; T162-F290 HydrophobicContact CG2-CZ 4.16Å; T162-F290 WeakPolarHBondContact OG1-CZ 3.38Å |
| 163 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A131 V152 V159 G160 L166 L167 I216 | A131-A163 HydrophobicContact CB-CB 4.08Å; V152-A163 HydrophobicContact CG1-CB 4.01Å; V152-A163 HydrophobicContact CG2-CB 4.3Å; V159-A163 WeakPolarHBondContact O-CB 3.42Å; V159-A163 PolarHBondContact O-N 2.95Å; G160-A163 PolarHBondContact O-N 2.79Å; A163-L166 PolarHBondContact O-N 2.84Å; A163-L167 VanDerWaalsContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CB 3.23Å; A163-L167 WeakPolarHBondContact O-CD1 3.46Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.07Å; A163-I216 HydrophobicContact CB-CD1 3.89Å; A163-I216 HydrophobicContact CB-CG2 4.23Å |
| 164 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | V152 A155 G160 T162 H168 V174 A176 L190 A192 | V152-V164 HydrophobicContact CB-CG2 4.12Å; V152-V164 HydrophobicContact CG1-CG2 4.17Å; V152-V164 HydrophobicContact CG2-CG2 4.21Å; A155-V164 HydrophobicContact CB-CG2 4.37Å; G160-V164 VanDerWaalsContact O-CG2 3.32Å; G160-V164 WeakPolarHBondContact O-CG2 3.22Å; G160-V164 PolarHBondContact O-N 2.91Å; T162-V164 PolarHBondContact O-N 3.24Å; V164-H168 VanDerWaalsContact O-CB 3.23Å; V164-H168 WeakPolarHBondContact O-CB 3.28Å; V164-H168 PolarHBondContact O-N 2.66Å; V164-V174 HydrophobicContact CB-CG1 4.4Å; V164-V174 HydrophobicContact CG1-CG1 4.29Å; V164-V174 HydrophobicContact CG2-CG1 4Å; V164-A176 HydrophobicContact CG2-CB 4.42Å; V164-L190 HydrophobicContact CB-CB 4.41Å; V164-L190 HydrophobicContact CG1-CB 3.76Å; V164-A192 HydrophobicContact CG1-CB 4.04Å |
| 165 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S161 T162 K169 F290 | S161-A165 PolarHBondContact O-N 3.05Å; T162-A165 PolarHBondContact O-N 3.19Å; A165-K169 WeakPolarHBondContact O-CB 3.41Å; A165-K169 PolarHBondContact O-N 3.38Å; A165-F290 HydrophobicContact CB-CD2 3.66Å; A165-F290 HydrophobicContact CB-CE2 4.15Å; A165-F290 HydrophobicContact CB-CG 4.49Å |
| 166 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -51.1 | 177.8 | -72.7 | 169.3 | 0 | 0 | 0 | 111.5 | A131 M132 V135 T162 A163 H168 K169 L170 L282 D285 L286 | A131-L166 HydrophobicContact CB-CD1 4.32Å; M132-L166 HydrophobicContact CB-CD1 4.22Å; M132-L166 HydrophobicContact SD-CD1 3.96Å; M132-L166 HydrophobicContact SD-CD2 4.04Å; V135-L166 HydrophobicContact CG2-CB 4.15Å; V135-L166 HydrophobicContact CG2-CD1 4.35Å; T162-L166 HydrophobicContact CG2-CD1 3.85Å; T162-L166 HydrophobicContact CG2-CG 4.26Å; T162-L166 WeakPolarHBondContact O-CB 3.46Å; T162-L166 VanDerWaalsContact O-CG 3.3Å; T162-L166 WeakPolarHBondContact O-CG 3.49Å; T162-L166 PolarHBondContact O-N 3.32Å; A163-L166 PolarHBondContact O-N 2.84Å; L166-H168 VanDerWaalsContact C-N 3.33Å; L166-H168 PolarHBondContact O-N 2.84Å; L166-K169 PolarHBondContact O-N 2.85Å; L166-L170 WeakPolarHBondContact O-CB 3.22Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 2.67Å; L166-L282 HydrophobicContact CD1-CD2 4.31Å; L166-D285 HydrophobicContact CD2-CB 3.9Å; L166-L286 HydrophobicContact CD2-CB 4.13Å; L166-L286 HydrophobicContact CD2-CG 4.32Å |
| 167 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | -180 | -72.1 | 168.3 | 0 | 0 | 0 | 111.6 | V135 I150 V152 A163 L170 G171 Y172 V174 I216 | V135-L167 HydrophobicContact CG2-CD2 4.08Å; V135-L167 HydrophobicContact CG2-CG 4.13Å; I150-L167 HydrophobicContact CB-CD1 4.31Å; I150-L167 HydrophobicContact CG2-CD1 3.58Å; I150-L167 HydrophobicContact CG2-CD2 4.29Å; V152-L167 HydrophobicContact CG2-CD1 3.67Å; A163-L167 VanDerWaalsContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CB 3.23Å; A163-L167 WeakPolarHBondContact O-CD1 3.46Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.07Å; L167-L170 PolarHBondContact O-N 2.88Å; L167-G171 PolarHBondContact O-N 2.95Å; L167-Y172 HydrophobicContact CB-CD2 4.41Å; L167-Y172 HydrophobicContact CD2-CD2 3.78Å; L167-Y172 HydrophobicContact CD2-CE2 4.12Å; L167-Y172 HydrophobicContact CD2-CG 4.01Å; L167-Y172 WeakPolarHBondContact O-CB 3.49Å; L167-Y172 WeakPolarHBondContact O-CD2 3.4Å; L167-Y172 PolarHBondContact O-N 2.69Å; L167-V174 HydrophobicContact CB-CG2 3.44Å; L167-V174 VanDerWaalsContact CB-CG2 3.44Å; L167-V174 HydrophobicContact CD1-CG2 4.38Å; L167-I216 HydrophobicContact CD1-CD1 3.94Å; L167-I216 HydrophobicContact CG-CD1 4.44Å |
| 168 | H | 98.6 | Very high | 98.7 | Very high | 102 Ų | 102 | 24.2 Ų | 24.2 | 47% | 0.472 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.3 | 178 | 72.1 | 0 | 0 | 0 | 111.6 | V164 L166 L170 G171 G191 | V164-H168 VanDerWaalsContact O-CB 3.23Å; V164-H168 WeakPolarHBondContact O-CB 3.28Å; V164-H168 PolarHBondContact O-N 2.66Å; L166-H168 VanDerWaalsContact C-N 3.33Å; L166-H168 PolarHBondContact O-N 2.84Å; H168-L170 VanDerWaalsContact C-N 3.26Å; H168-L170 PolarHBondContact O-N 3.5Å; H168-G171 PolarHBondContact O-N 2.8Å; H168-G191 VanDerWaalsContact CG-CA 3.46Å; H168-G191 PolarHBondContact ND1-O 3.46Å |
| 169 | K | 98.5 | Very high | 98.6 | Very high | 123 Ų | 123 | 25.4 Ų | 25.4 | 54% | 0.535 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.1 | -36.3 | 177.6 | 178 | 61 | 174.6 | -177.8 | 0 | 112.5 | A165 L166 G171 D285 | A165-K169 WeakPolarHBondContact O-CB 3.41Å; A165-K169 PolarHBondContact O-N 3.38Å; L166-K169 PolarHBondContact O-N 2.85Å; K169-G171 PolarHBondContact O-N 3.22Å; K169-D285 WeakPolarHBondContact CB-O 3.43Å; K169-D285 WeakPolarHBondContact CG-O 3.46Å |
| 170 | L | 98.5 | Very high | 98.4 | Very high | 45 Ų | 45 | 26.1 Ų | 26.1 | 24% | 0.236 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 1.4 | 177.2 | -67.4 | 167.6 | 0 | 0 | 0 | 113.6 | V135 P145 L166 L167 H168 Y172 | V135-L170 HydrophobicContact CG1-CD1 3.55Å; P145-L170 WeakPolarHBondContact CG-O 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.22Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 2.67Å; L167-L170 PolarHBondContact O-N 2.88Å; H168-L170 VanDerWaalsContact C-N 3.26Å; H168-L170 PolarHBondContact O-N 3.5Å; L170-Y172 HydrophobicContact CB-CD2 3.75Å; L170-Y172 HydrophobicContact CB-CE2 3.75Å; L170-Y172 HydrophobicContact CD1-CE2 4.45Å |
| 171 | G | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 33.7 Ų | 33.7 | 54% | 0.536 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 7.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L167 H168 K169 | L167-G171 PolarHBondContact O-N 2.95Å; H168-G171 PolarHBondContact O-N 2.8Å; K169-G171 PolarHBondContact O-N 3.22Å |
| 172 | Y | 98.7 | Very high | 98.1 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | trans | -73.1 | 149.3 | 176.1 | -66 | -94.4 | 0 | 0 | 0 | 111.5 | V143 P145 I150 L167 L170 V174 | V143-Y172 HydrophobicContact CG1-CE1 4.25Å; V143-Y172 PolarHBondContact O-OH 3.22Å; P145-Y172 HydrophobicContact CB-CD1 4.3Å; P145-Y172 HydrophobicContact CB-CG 4.4Å; P145-Y172 HydrophobicContact CG-CD1 4.18Å; P145-Y172 HydrophobicContact CG-CD2 4.02Å; P145-Y172 HydrophobicContact CG-CE1 4.06Å; P145-Y172 HydrophobicContact CG-CE2 3.89Å; P145-Y172 HydrophobicContact CG-CG 4.17Å; I150-Y172 HydrophobicContact CD1-CD1 3.85Å; I150-Y172 HydrophobicContact CD1-CE1 4.21Å; I150-Y172 HydrophobicContact CG1-CD1 3.4Å; I150-Y172 VanDerWaalsContact CG1-CD1 3.4Å; I150-Y172 HydrophobicContact CG1-CE1 4.19Å; I150-Y172 HydrophobicContact CG1-CG 3.97Å; L167-Y172 HydrophobicContact CB-CD2 4.41Å; L167-Y172 HydrophobicContact CD2-CD2 3.78Å; L167-Y172 HydrophobicContact CD2-CE2 4.12Å; L167-Y172 HydrophobicContact CD2-CG 4.01Å; L167-Y172 WeakPolarHBondContact O-CB 3.49Å; L167-Y172 WeakPolarHBondContact O-CD2 3.4Å; L167-Y172 PolarHBondContact O-N 2.69Å; L170-Y172 HydrophobicContact CB-CD2 3.75Å; L170-Y172 HydrophobicContact CB-CE2 3.75Å; L170-Y172 HydrophobicContact CD1-CE2 4.45Å; Y172-V174 PolarHBondContact O-N 2.73Å | ||
| 173 | Q | 98.6 | Very high | 98.1 | Very high | 117 Ų | 117 | 38.4 Ų | 38.4 | 55% | 0.547 | 21% | 0.213 | S | C | . | . | trans | -82.7 | 110.7 | 165.7 | -68.3 | -164.5 | 1.5 | 0 | 0 | 109.9 | E149 I150 | E149-Q173 WeakPolarHBondContact CA-O 3.38Å; E149-Q173 HydrophobicContact CG-CB 4.34Å; I150-Q173 PolarHBondContact N-O 2.77Å | ||
| 174 | V | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.3 | -172 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | I150 V152 V164 L167 Y172 A192 S193 | I150-V174 WeakPolarHBondContact O-CA 3.33Å; V152-V174 HydrophobicContact CG2-CG1 3.8Å; V164-V174 HydrophobicContact CB-CG1 4.4Å; V164-V174 HydrophobicContact CG1-CG1 4.29Å; V164-V174 HydrophobicContact CG2-CG1 4Å; L167-V174 HydrophobicContact CB-CG2 3.44Å; L167-V174 VanDerWaalsContact CB-CG2 3.44Å; L167-V174 HydrophobicContact CD1-CG2 4.38Å; Y172-V174 PolarHBondContact O-N 2.73Å; V174-A192 CarbonylContact O-C 3.51Å; V174-A192 WeakPolarHBondContact O-CA 3.43Å; V174-S193 PolarHBondContact O-N 3.2Å; V174-S193 PolarHBondContact O-OG 3.43Å |
| 175 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 114.7 | 170.2 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | E149 I150 V151 V152 R194 L196 W212 | E149-V175 HydrophobicContact CB-CG2 4.21Å; E149-V175 HydrophobicContact CG-CG2 4.38Å; I150-V175 PolarHBondContact O-N 3.1Å; V151-V175 CarbonylContact C-O 3.56Å; V151-V175 WeakPolarHBondContact CA-O 3.48Å; V152-V175 PolarHBondContact N-O 3.16Å; V175-R194 HydrophobicContact CB-CG 4.42Å; V175-R194 HydrophobicContact CG1-CG 3.97Å; V175-R194 HydrophobicContact CG2-CG 3.92Å; V175-L196 HydrophobicContact CG1-CD1 3.67Å; V175-L196 HydrophobicContact CG1-CG 3.76Å; V175-W212 HydrophobicContact CB-CH2 4.37Å; V175-W212 HydrophobicContact CB-CZ3 4.03Å; V175-W212 HydrophobicContact CG1-CH2 4.05Å; V175-W212 HydrophobicContact CG1-CZ3 4.22Å; V175-W212 HydrophobicContact CG2-CH2 4.48Å; V175-W212 HydrophobicContact CG2-CZ3 3.9Å |
| 176 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A155 V164 L187 A192 R194 V195 L196 | A155-A176 HydrophobicContact CB-CB 3.58Å; V164-A176 HydrophobicContact CG2-CB 4.42Å; A176-L187 HydrophobicContact CB-CB 4.3Å; A176-L187 HydrophobicContact CB-CD1 4.03Å; A176-L187 HydrophobicContact CB-CD2 4.18Å; A176-L187 HydrophobicContact CB-CG 4.41Å; A176-A192 HydrophobicContact CB-CB 3.78Å; A176-R194 PolarHBondContact N-O 3.46Å; A176-V195 HydrophobicContact CB-CG1 4.47Å; A176-V195 HydrophobicContact CB-CG2 4.38Å; A176-V195 CarbonylContact O-C 3.6Å; A176-V195 VanDerWaalsContact O-CA 3.23Å; A176-V195 WeakPolarHBondContact O-CA 3.38Å; A176-V195 WeakPolarHBondContact O-CG1 3.49Å; A176-L196 PolarHBondContact O-N 2.97Å |
| 177 | V | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.8 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | V151 V152 G154 A155 L196 R198 F201 | V151-V177 HydrophobicContact CG2-CG2 3.58Å; V152-V177 PolarHBondContact O-N 3.01Å; G154-V177 PolarHBondContact N-O 3.24Å; A155-V177 PolarHBondContact N-O 3.23Å; V177-L196 WeakPolarHBondContact CA-O 3.3Å; V177-L196 HydrophobicContact CG2-CB 4.35Å; V177-R198 HydrophobicContact CG1-CB 4.4Å; V177-F201 HydrophobicContact CB-CE2 4.32Å; V177-F201 HydrophobicContact CG1-CD2 3.81Å; V177-F201 HydrophobicContact CG1-CE2 3.71Å; V177-F201 HydrophobicContact CG1-CZ 4.44Å; V177-F201 HydrophobicContact CG2-CD2 4.43Å; V177-F201 HydrophobicContact CG2-CE1 4.43Å; V177-F201 HydrophobicContact CG2-CE2 3.58Å; V177-F201 HydrophobicContact CG2-CZ 3.58Å |
| 178 | S | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.1 | 179.2 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | R180 T183 L196 P197 R198 | S178-R180 VanDerWaalsContact C-N 3.32Å; S178-R180 PolarHBondContact OG-N 2.93Å; S178-R180 PolarHBondContact OG-O 2.95Å; S178-T183 PolarHBondContact OG-OG1 3.43Å; S178-L196 PolarHBondContact N-O 2.95Å; S178-L196 VanDerWaalsContact N-O 3.07Å; S178-P197 CarbonylContact O-C 3.59Å; S178-P197 WeakPolarHBondContact O-CA 3.23Å; S178-R198 PolarHBondContact O-N 3.42Å |
| 179 | G | 95.6 | Very high | 97.9 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -89.6 | 4.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 180 | R | 95 | Very high | 97.9 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | trans | -130.9 | 110.4 | -176 | -66 | -175.8 | -61.2 | 167.3 | -0.9 | 110.5 | S156 S178 S182 T183 N313 Q314 I315 | S156-R180 PolarHBondContact OG-NH2 2.9Å; S178-R180 VanDerWaalsContact C-N 3.32Å; S178-R180 PolarHBondContact OG-N 2.93Å; S178-R180 PolarHBondContact OG-O 2.95Å; R180-S182 PolarHBondContact O-N 3.21Å; R180-T183 HydrophobicContact CB-CG2 3.85Å; R180-T183 PolarHBondContact O-N 3.47Å; R180-T183 PolarHBondContact O-OG1 3.25Å; R180-N313 WeakPolarHBondContact CD-O 3.34Å; R180-N313 PolarHBondContact NH1-O 2.92Å; R180-Q314 VanDerWaalsContact NH1-C 3.33Å; R180-Q314 PolarHBondContact NH1-O 3.49Å; R180-I315 PolarHBondContact NH1-O 3.29Å; R180-I315 PolarHBondContact NH2-O 2.92Å | ||
| 181 | E | 95.4 | Very high | 97.9 | Very high | 161 Ų | 161 | 43 Ų | 43 | 75% | 0.752 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -57.8 | -33.2 | 177.1 | -66.9 | -175.7 | 177.1 | 0 | 0 | 112.6 | T183 H184 | E181-T183 PolarHBondContact O-N 2.91Å; E181-H184 WeakPolarHBondContact O-CB 3.42Å; E181-H184 PolarHBondContact O-CD2 2.98Å; E181-H184 VanDerWaalsContact O-CG 3.27Å; E181-H184 PolarHBondContact O-N 3.37Å |
| 182 | S | 97 | Very high | 97.9 | Very high | 99 Ų | 99 | 41 Ų | 41 | 69% | 0.692 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -58.3 | -15.5 | 176.1 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | R180 | R180-S182 PolarHBondContact O-N 3.21Š|
| 183 | T | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -94.9 | -3.8 | 179.6 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | S178 R180 E181 E185 Y186 L187 Q316 | S178-T183 PolarHBondContact OG-OG1 3.43Å; R180-T183 HydrophobicContact CB-CG2 3.85Å; R180-T183 PolarHBondContact O-N 3.47Å; R180-T183 PolarHBondContact O-OG1 3.25Å; E181-T183 PolarHBondContact O-N 2.91Å; T183-E185 PolarHBondContact O-N 3.37Å; T183-Y186 WeakPolarHBondContact O-CB 3.46Å; T183-Y186 PolarHBondContact O-N 3.31Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.2Å; T183-L187 PolarHBondContact O-N 3.46Å; T183-Q316 HydrophobicContact CG2-CB 4.46Å |
| 184 | H | 98 | Very high | 97.9 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 21% | 0.213 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | -171.5 | -73.4 | -165.9 | 0 | 0 | 0 | 112.9 | E181 L187 K188 V195 | E181-H184 WeakPolarHBondContact O-CB 3.42Å; E181-H184 PolarHBondContact O-CD2 2.98Å; E181-H184 VanDerWaalsContact O-CG 3.27Å; E181-H184 PolarHBondContact O-N 3.37Å; H184-L187 PolarHBondContact O-N 3.36Å; H184-K188 WeakPolarHBondContact O-CG 3.37Å; H184-K188 PolarHBondContact O-N 3.46Å; H184-V195 HydrophobicContact CB-CG2 4.42Å; H184-V195 VanDerWaalsContact CD2-CG1 3.45Å; H184-V195 WeakPolarHBondContact CD2-CG1 3.42Å |
| 185 | E | 97.7 | Very high | 97.8 | Very high | 124 Ų | 124 | 43.7 Ų | 43.7 | 58% | 0.579 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.3 | -36.9 | 179 | -66.9 | -53.7 | 122.8 | 0 | 0 | 112 | T183 L187 K188 S189 | T183-E185 PolarHBondContact O-N 3.37Å; E185-L187 PolarHBondContact O-N 2.84Å; E185-K188 PolarHBondContact O-N 3.24Å; E185-K188 IonicContact OE1-NZ 2.71Å; E185-K188 PolarHBondContact OE1-NZ 2.89Å; E185-S189 WeakPolarHBondContact O-CB 3.23Å; E185-S189 PolarHBondContact O-N 3.12Å |
| 186 | Y | 98.3 | Very high | 97.8 | Very high | 20 Ų | 20 | 45 Ų | 45 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 170.9 | 166.8 | -108.2 | 0 | 0 | 0 | 111.5 | S161 T183 K188 S189 L190 Q316 G317 | S161-Y186 WeakPolarHBondContact CB-OH 3.46Å; S161-Y186 WeakPolarHBondContact OG-CE1 3.34Å; S161-Y186 PolarHBondContact OG-OH 2.86Å; T183-Y186 WeakPolarHBondContact O-CB 3.46Å; T183-Y186 PolarHBondContact O-N 3.31Å; Y186-K188 PolarHBondContact O-N 3.29Å; Y186-S189 WeakPolarHBondContact O-CB 3.41Å; Y186-S189 PolarHBondContact O-N 2.73Å; Y186-S189 VanDerWaalsContact O-N 3.13Å; Y186-S189 PolarHBondContact O-OG 2.96Å; Y186-L190 HydrophobicContact CD1-CD1 4.36Å; Y186-L190 HydrophobicContact CE1-CD1 3.72Å; Y186-L190 HydrophobicContact CE2-CD1 4Å; Y186-L190 HydrophobicContact CE2-CD2 4.39Å; Y186-L190 HydrophobicContact CE2-CG 4.21Å; Y186-L190 PolarHBondContact O-N 3.43Å; Y186-L190 VanDerWaalsContact O-N 3.15Å; Y186-Q316 HydrophobicContact CD1-CB 4.48Å; Y186-Q316 HydrophobicContact CE1-CB 4.37Å; Y186-G317 WeakPolarHBondContact OH-CA 3.45Å |
| 187 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 179.8 | -70.2 | 167.3 | 0 | 0 | 0 | 112.7 | A155 A176 T183 H184 E185 S189 L190 G191 A192 V195 | A155-L187 HydrophobicContact CB-CD1 4.24Å; A155-L187 HydrophobicContact CB-CD2 3.61Å; A155-L187 WeakPolarHBondContact O-CD2 3.14Å; A176-L187 HydrophobicContact CB-CB 4.3Å; A176-L187 HydrophobicContact CB-CD1 4.03Å; A176-L187 HydrophobicContact CB-CD2 4.18Å; A176-L187 HydrophobicContact CB-CG 4.41Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.2Å; T183-L187 PolarHBondContact O-N 3.46Å; H184-L187 PolarHBondContact O-N 3.36Å; E185-L187 PolarHBondContact O-N 2.84Å; L187-S189 VanDerWaalsContact C-N 3.32Å; L187-L190 PolarHBondContact O-N 3.4Å; L187-G191 PolarHBondContact O-N 3.21Å; L187-A192 HydrophobicContact CB-CB 4.26Å; L187-A192 VanDerWaalsContact O-CB 3.28Å; L187-A192 WeakPolarHBondContact O-CB 3.48Å; L187-A192 PolarHBondContact O-N 2.84Å; L187-V195 HydrophobicContact CB-CG2 4Å; L187-V195 HydrophobicContact CD1-CG1 3.84Å; L187-V195 HydrophobicContact CD1-CG2 4.22Å |
| 188 | K | 98.5 | Very high | 97.7 | Very high | 101 Ų | 101 | 52.4 Ų | 52.4 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 172.4 | -70.4 | 175.6 | -172.9 | 167.1 | 0 | 111.5 | H184 E185 Y186 L190 G191 | H184-K188 WeakPolarHBondContact O-CG 3.37Å; H184-K188 PolarHBondContact O-N 3.46Å; E185-K188 PolarHBondContact O-N 3.24Å; E185-K188 IonicContact OE1-NZ 2.71Å; E185-K188 PolarHBondContact OE1-NZ 2.89Å; Y186-K188 PolarHBondContact O-N 3.29Å; K188-L190 PolarHBondContact O-N 3.12Å; K188-G191 PolarHBondContact O-N 3.03Å |
| 189 | S | 98.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -23.9 | 177.9 | 82.4 | 0 | 0 | 0 | 0 | 113.9 | E185 Y186 L187 Q293 | E185-S189 WeakPolarHBondContact O-CB 3.23Å; E185-S189 PolarHBondContact O-N 3.12Å; Y186-S189 WeakPolarHBondContact O-CB 3.41Å; Y186-S189 PolarHBondContact O-N 2.73Å; Y186-S189 VanDerWaalsContact O-N 3.13Å; Y186-S189 PolarHBondContact O-OG 2.96Å; L187-S189 VanDerWaalsContact C-N 3.32Å; S189-Q293 PolarHBondContact O-NE2 2.88Å |
| 190 | L | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.9 | 172.6 | -67 | 177.4 | 0 | 0 | 0 | 113.4 | V164 Y186 L187 K188 F290 Q293 | V164-L190 HydrophobicContact CB-CB 4.41Å; V164-L190 HydrophobicContact CG1-CB 3.76Å; Y186-L190 HydrophobicContact CD1-CD1 4.36Å; Y186-L190 HydrophobicContact CE1-CD1 3.72Å; Y186-L190 HydrophobicContact CE2-CD1 4Å; Y186-L190 HydrophobicContact CE2-CD2 4.39Å; Y186-L190 HydrophobicContact CE2-CG 4.21Å; Y186-L190 PolarHBondContact O-N 3.43Å; Y186-L190 VanDerWaalsContact O-N 3.15Å; L187-L190 PolarHBondContact O-N 3.4Å; K188-L190 PolarHBondContact O-N 3.12Å; L190-F290 HydrophobicContact CD2-CD2 3.85Å; L190-F290 HydrophobicContact CD2-CE2 4.32Å; L190-Q293 HydrophobicContact CD2-CB 4.24Å |
| 191 | G | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 59.6 Ų | 59.6 | 13% | 0.134 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 115.4 | 9.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | H168 L187 K188 S193 | H168-G191 VanDerWaalsContact CG-CA 3.46Å; H168-G191 PolarHBondContact ND1-O 3.46Å; L187-G191 PolarHBondContact O-N 3.21Å; K188-G191 PolarHBondContact O-N 3.03Å; G191-S193 PolarHBondContact O-N 2.69Å |
| 192 | A | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | trans | -64.6 | 128.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | V164 V174 A176 L187 | V164-A192 HydrophobicContact CG1-CB 4.04Å; V174-A192 CarbonylContact O-C 3.51Å; V174-A192 WeakPolarHBondContact O-CA 3.43Å; A176-A192 HydrophobicContact CB-CB 3.78Å; L187-A192 HydrophobicContact CB-CB 4.26Å; L187-A192 VanDerWaalsContact O-CB 3.28Å; L187-A192 WeakPolarHBondContact O-CB 3.48Å; L187-A192 PolarHBondContact O-N 2.84Å | ||
| 193 | S | 98.2 | Very high | 97.6 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 49% | 0.49 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -73.6 | -34.2 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | V174 G191 | V174-S193 PolarHBondContact O-N 3.2Å; V174-S193 PolarHBondContact O-OG 3.43Å; G191-S193 PolarHBondContact O-N 2.69Å |
| 194 | R | 97.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 60.1 Ų | 60.1 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 164.3 | 168.3 | 67.9 | 179.3 | -173.6 | -117 | -5.9 | 111.1 | E149 V175 A176 | E149-R194 IonicContact OE1-CZ 3.54Å; E149-R194 VanDerWaalsContact OE1-CZ 3.26Å; E149-R194 IonicContact OE1-NH1 2.67Å; E149-R194 PolarHBondContact OE1-NH1 3.44Å; E149-R194 IonicContact OE1-NH2 3.45Å; E149-R194 PolarHBondContact OE1-NH2 3.24Å; E149-R194 IonicContact OE2-CZ 3.3Å; E149-R194 IonicContact OE2-NH1 3.39Å; E149-R194 IonicContact OE2-NH2 4Å; E149-R194 PolarHBondContact OE2-NH2 2.8Å; V175-R194 HydrophobicContact CB-CG 4.42Å; V175-R194 HydrophobicContact CG1-CG 3.97Å; V175-R194 HydrophobicContact CG2-CG 3.92Å; A176-R194 PolarHBondContact N-O 3.46Å |
| 195 | V | 98.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 14% | 0.139 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.5 | 178.3 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | A176 H184 L187 | A176-V195 HydrophobicContact CB-CG1 4.47Å; A176-V195 HydrophobicContact CB-CG2 4.38Å; A176-V195 CarbonylContact O-C 3.6Å; A176-V195 VanDerWaalsContact O-CA 3.23Å; A176-V195 WeakPolarHBondContact O-CA 3.38Å; A176-V195 WeakPolarHBondContact O-CG1 3.49Å; H184-V195 HydrophobicContact CB-CG2 4.42Å; H184-V195 VanDerWaalsContact CD2-CG1 3.45Å; H184-V195 WeakPolarHBondContact CD2-CG1 3.42Å; L187-V195 HydrophobicContact CB-CG2 4Å; L187-V195 HydrophobicContact CD1-CG1 3.84Å; L187-V195 HydrophobicContact CD1-CG2 4.22Å |
| 196 | L | 98.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 14% | 0.141 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.4 | 174.8 | -63.1 | 178 | 0 | 0 | 0 | 110.5 | V175 A176 V177 S178 F201 W212 | V175-L196 HydrophobicContact CG1-CD1 3.67Å; V175-L196 HydrophobicContact CG1-CG 3.76Å; A176-L196 PolarHBondContact O-N 2.97Å; V177-L196 WeakPolarHBondContact CA-O 3.3Å; V177-L196 HydrophobicContact CG2-CB 4.35Å; S178-L196 PolarHBondContact N-O 2.95Å; S178-L196 VanDerWaalsContact N-O 3.07Å; L196-F201 HydrophobicContact CB-CE2 4.25Å; L196-F201 HydrophobicContact CD1-CE2 4.31Å; L196-F201 HydrophobicContact CD1-CZ 4.22Å; L196-W212 HydrophobicContact CD1-CH2 3.92Å; L196-W212 HydrophobicContact CD1-CZ2 4.19Å |
| 197 | P | 97.7 | Very high | 97.5 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141.8 | 174.1 | 30.3 | -34.3 | 0 | 0 | 0 | 110.7 | S178 D199 E200 | S178-P197 CarbonylContact O-C 3.59Å; S178-P197 WeakPolarHBondContact O-CA 3.23Å; P197-D199 PolarHBondContact O-N 3.16Å; P197-E200 VanDerWaalsContact CD-OE1 3.26Å; P197-E200 WeakPolarHBondContact CD-OE1 3.35Å; P197-E200 HydrophobicContact CG-CG 3.93Å; P197-E200 VanDerWaalsContact CG-OE1 3.29Å; P197-E200 WeakPolarHBondContact CG-OE1 3.44Å; P197-E200 PolarHBondContact O-N 3.34Å |
| 198 | R | 97.2 | Very high | 97.5 | Very high | 109 Ų | 109 | 67.7 Ų | 67.7 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -58 | -29.3 | 177.7 | -177.1 | 178.8 | 62.4 | -168.7 | -2.5 | 113.3 | V177 S178 E200 F201 V223 | V177-R198 HydrophobicContact CG1-CB 4.4Å; S178-R198 PolarHBondContact O-N 3.42Å; R198-E200 PolarHBondContact O-N 3.23Å; R198-F201 WeakPolarHBondContact O-CA 3.22Å; R198-F201 WeakPolarHBondContact O-CB 3.27Å; R198-F201 PolarHBondContact O-N 3.43Å; R198-V223 HydrophobicContact CG-CG2 4.25Å |
| 199 | D | 96 | Very high | 97.5 | Very high | 132 Ų | 132 | 71.1 Ų | 71.1 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -66.9 | -22.4 | -176.3 | -66 | -7.6 | 0 | 0 | 0 | 112.8 | P197 F201 A202 | P197-D199 PolarHBondContact O-N 3.16Å; D199-F201 PolarHBondContact O-N 2.78Å; D199-A202 PolarHBondContact O-N 3.04Å |
| 200 | E | 96.3 | Very high | 97.5 | Very high | 102 Ų | 102 | 72.5 Ų | 72.5 | 48% | 0.477 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -63.7 | -9.1 | 168.6 | -76.8 | -179.4 | -141.5 | 0 | 0 | 112.8 | P197 R198 K226 | P197-E200 VanDerWaalsContact CD-OE1 3.26Å; P197-E200 WeakPolarHBondContact CD-OE1 3.35Å; P197-E200 HydrophobicContact CG-CG 3.93Å; P197-E200 VanDerWaalsContact CG-OE1 3.29Å; P197-E200 WeakPolarHBondContact CG-OE1 3.44Å; P197-E200 PolarHBondContact O-N 3.34Å; R198-E200 PolarHBondContact O-N 3.23Å; E200-K226 VanDerWaalsContact O-CD 3.31Å; E200-K226 WeakPolarHBondContact O-CD 3.42Å; E200-K226 VanDerWaalsContact O-CE 3.29Å; E200-K226 WeakPolarHBondContact O-CE 3.41Å; E200-K226 PolarHBondContact O-NZ 3.15Å |
| 201 | F | 97.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 74.1 Ų | 74.1 | 1% | 0.013 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -108.8 | 14.3 | -177.9 | -63.1 | -101.3 | 0 | 0 | 0 | 115.1 | V177 L196 R198 D199 V223 K226 V227 | V177-F201 HydrophobicContact CB-CE2 4.32Å; V177-F201 HydrophobicContact CG1-CD2 3.81Å; V177-F201 HydrophobicContact CG1-CE2 3.71Å; V177-F201 HydrophobicContact CG1-CZ 4.44Å; V177-F201 HydrophobicContact CG2-CD2 4.43Å; V177-F201 HydrophobicContact CG2-CE1 4.43Å; V177-F201 HydrophobicContact CG2-CE2 3.58Å; V177-F201 HydrophobicContact CG2-CZ 3.58Å; L196-F201 HydrophobicContact CB-CE2 4.25Å; L196-F201 HydrophobicContact CD1-CE2 4.31Å; L196-F201 HydrophobicContact CD1-CZ 4.22Å; R198-F201 WeakPolarHBondContact O-CA 3.22Å; R198-F201 WeakPolarHBondContact O-CB 3.27Å; R198-F201 PolarHBondContact O-N 3.43Å; D199-F201 PolarHBondContact O-N 2.78Å; F201-V223 HydrophobicContact CB-CB 4.33Å; F201-V223 HydrophobicContact CB-CG1 4.2Å; F201-V223 HydrophobicContact CB-CG2 4Å; F201-V223 HydrophobicContact CD1-CG1 4.36Å; F201-V223 HydrophobicContact CG-CG1 4.38Å; F201-K226 HydrophobicContact CB-CD 4.29Å; F201-K226 HydrophobicContact CD1-CB 4.23Å; F201-K226 HydrophobicContact CD1-CD 4.12Å; F201-K226 HydrophobicContact CD1-CG 4.29Å; F201-K226 HydrophobicContact CG-CD 4.38Å; F201-V227 HydrophobicContact CD1-CG2 4.05Å; F201-V227 HydrophobicContact CE1-CG2 3.83Å |
| 202 | A | 94.4 | Very high | 97.5 | Very high | 54 Ų | 54 | 73.8 Ų | 73.8 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -75.7 | -35.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | D199 K222 | D199-A202 PolarHBondContact O-N 3.04Å; A202-K222 WeakPolarHBondContact O-CD 3.4Å |
| 203 | E | 93.8 | Very high | 97.5 | Very high | 163 Ų | 163 | 73.7 Ų | 73.7 | 76% | 0.762 | 37% | 0.369 | S | S | * | . | trans | -132 | 147.6 | -177.9 | -63.8 | -172.2 | 171.5 | 0 | 0 | 111.2 | K226 | E203-K226 VanDerWaalsContact O-CD 3.3Å; E203-K226 WeakPolarHBondContact O-CD 3.46Å; E203-K226 WeakPolarHBondContact O-CE 3.46Å; E203-K226 PolarHBondContact O-NZ 3.28Å | ||
| 204 | S | 96.2 | Very high | 97.6 | Very high | 54 Ų | 54 | 70.4 Ų | 70.4 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | trans | -149.3 | 143.1 | 179.3 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 205 | R | 97.8 | Very high | 97.6 | Very high | 180 Ų | 180 | 65.7 Ų | 65.7 | 68% | 0.679 | 33% | 0.328 | S | S | * | . | trans | -74.1 | 163.9 | 161 | -63.9 | 179.3 | 179.6 | -175.3 | 0.9 | 110.5 | L207 E208 A229 | R205-L207 PolarHBondContact O-N 3.1Å; R205-L207 VanDerWaalsContact O-N 3.16Å; R205-E208 WeakPolarHBondContact CB-OE1 3.25Å; R205-E208 PolarHBondContact N-OE1 3.41Å; R205-A229 WeakPolarHBondContact O-CB 3.45Å | ||
| 206 | P | 98 | Very high | 97.7 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -55.2 | -31.8 | 174.8 | -28.6 | 36.6 | 0 | 0 | 0 | 114.4 | T251 M253 | P206-T251 HydrophobicContact CB-CG2 4Å; P206-T251 HydrophobicContact CG-CG2 4.1Å; P206-M253 HydrophobicContact CB-CB 4.22Å; P206-M253 HydrophobicContact CB-CG 3.94Å |
| 207 | L | 98.7 | Very high | 97.7 | Very high | 54 Ų | 54 | 63.3 Ų | 63.3 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -137.9 | 129 | 170.8 | -69.3 | 178.6 | 0 | 0 | 0 | 109 | R205 M253 P254 L257 R258 | R205-L207 PolarHBondContact O-N 3.1Å; R205-L207 VanDerWaalsContact O-N 3.16Å; L207-M253 HydrophobicContact CD1-CB 4.49Å; L207-M253 HydrophobicContact CD2-CB 4.23Å; L207-M253 HydrophobicContact CG-CB 4.03Å; L207-P254 HydrophobicContact CD2-CB 4.34Å; L207-P254 HydrophobicContact CD2-CG 4.08Å; L207-L257 HydrophobicContact CD1-CB 4.35Å; L207-L257 HydrophobicContact CD1-CD1 3.84Å; L207-R258 HydrophobicContact CD2-CG 4.4Å |
| 208 | E | 98.6 | Very high | 97.7 | Very high | 50 Ų | 50 | 61.9 Ų | 61.9 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | trans | -108.1 | -179.3 | 173.5 | -66.8 | -67 | 177 | 0 | 0 | 110 | R205 Q210 A229 Q230 R258 | R205-E208 WeakPolarHBondContact CB-OE1 3.25Å; R205-E208 PolarHBondContact N-OE1 3.41Å; E208-Q210 PolarHBondContact O-N 3.24Å; E208-A229 HydrophobicContact CB-CB 4.33Å; E208-A229 HydrophobicContact CG-CB 3.96Å; E208-A229 PolarHBondContact N-O 3.28Å; E208-Q230 HydrophobicContact CB-CG 3.66Å; E208-Q230 HydrophobicContact CG-CG 4.23Å; E208-R258 VanDerWaalsContact O-CZ 3.26Å; E208-R258 PolarHBondContact O-NH1 3.46Å; E208-R258 PolarHBondContact O-NH2 2.85Å | ||
| 209 | K | 98.3 | Very high | 97.8 | Very high | 173 Ų | 173 | 57.4 Ų | 57.4 | 75% | 0.752 | 29% | 0.29 | S | S | * | . | trans | -54 | 137.9 | 169.2 | -175.7 | 179.9 | 174.5 | -174.9 | 0 | 110.2 | V211 Q230 | K209-V211 WeakPolarHBondContact O-CG2 3.37Å; K209-Q230 WeakPolarHBondContact O-CA 3.29Å | ||
| 210 | Q | 98.7 | Very high | 97.9 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 41% | 0.411 | 26% | 0.259 | S | S | . | . | trans | -70.8 | 126.6 | 173 | -67.4 | -177.8 | 99.1 | 0 | 0 | 109.7 | E208 Q230 N232 | E208-Q210 PolarHBondContact O-N 3.24Å; Q210-Q230 CarbonylContact C-O 3.59Å; Q210-Q230 WeakPolarHBondContact CA-O 3.48Å; Q210-N232 VanDerWaalsContact C-OD1 3.29Å; Q210-N232 WeakPolarHBondContact CB-OD1 3.4Å | ||
| 211 | V | 98.6 | Very high | 98 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 24% | 0.242 | 25% | 0.246 | C | C | . | . | trans | -135 | -47.9 | -177.2 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | K209 Q230 N232 | K209-V211 WeakPolarHBondContact O-CG2 3.37Å; V211-Q230 PolarHBondContact N-O 3.01Å; V211-N232 VanDerWaalsContact C-OD1 3.29Å; V211-N232 PolarHBondContact N-OD1 2.76Å | ||
| 212 | W | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.7 | -164.7 | -44 | 124.8 | 0 | 0 | 0 | 112.4 | E149 V151 V175 L196 Q230 M231 N232 | E149-W212 HydrophobicContact CB-CE3 4.1Å; E149-W212 HydrophobicContact CB-CZ3 4.17Å; V151-W212 HydrophobicContact CB-CD2 3.82Å; V151-W212 HydrophobicContact CB-CE3 3.99Å; V151-W212 HydrophobicContact CB-CG 4.19Å; V151-W212 HydrophobicContact CB-CZ3 4.42Å; V151-W212 HydrophobicContact CG1-CB 4.19Å; V151-W212 HydrophobicContact CG1-CD2 3.86Å; V151-W212 HydrophobicContact CG1-CE3 4.47Å; V151-W212 HydrophobicContact CG1-CG 3.68Å; V151-W212 HydrophobicContact CG2-CZ2 4.5Å; V175-W212 HydrophobicContact CB-CH2 4.37Å; V175-W212 HydrophobicContact CB-CZ3 4.03Å; V175-W212 HydrophobicContact CG1-CH2 4.05Å; V175-W212 HydrophobicContact CG1-CZ3 4.22Å; V175-W212 HydrophobicContact CG2-CH2 4.48Å; V175-W212 HydrophobicContact CG2-CZ3 3.9Å; L196-W212 HydrophobicContact CD1-CH2 3.92Å; L196-W212 HydrophobicContact CD1-CZ2 4.19Å; W212-Q230 PolarHBondContact N-O 2.95Å; W212-M231 HydrophobicContact CB-CE 3.98Å; W212-M231 HydrophobicContact CB-SD 3.71Å; W212-M231 HydrophobicContact CG-SD 4.34Å; W212-M231 WeakPolarHBondContact O-CE 3.39Å; W212-N232 PolarHBondContact N-OD1 3.18Å; W212-N232 WeakPolarHBondContact O-CB 3.28Å; W212-N232 PolarHBondContact O-N 2.97Å |
| 213 | A | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -36.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V143 D147 E149 I150 G235 C236 | V143-A213 HydrophobicContact CG1-CB 4.36Å; D147-A213 HydrophobicContact CB-CB 4.19Å; E149-A213 PolarHBondContact O-N 3Å; I150-A213 HydrophobicContact CD1-CB 4.16Å; A213-G235 VanDerWaalsContact O-CA 3.26Å; A213-G235 WeakPolarHBondContact O-CA 3.35Å; A213-C236 PolarHBondContact O-N 3.44Å |
| 214 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 165 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I150 V151 C236 | I150-G214 WeakPolarHBondContact CA-O 3.3Å; V151-G214 PolarHBondContact N-O 3.22Å; V151-G214 VanDerWaalsContact N-O 3.07Å; G214-C236 CarbonylContact C-O 3.55Å; G214-C236 WeakPolarHBondContact CA-O 3.31Å |
| 215 | A | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 143.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V151 V227 M231 C236 V237 A238 | V151-A215 HydrophobicContact CG1-CB 3.42Å; V151-A215 VanDerWaalsContact CG1-CB 3.42Å; V151-A215 CarbonylContact O-C 3.41Å; V151-A215 WeakPolarHBondContact O-CA 3.32Å; A215-V227 HydrophobicContact CB-CG1 3.58Å; A215-M231 HydrophobicContact CB-CE 4.49Å; A215-M231 HydrophobicContact CB-SD 4.16Å; A215-C236 PolarHBondContact N-O 3.05Å; A215-V237 HydrophobicContact CB-CB 4.31Å; A215-V237 HydrophobicContact CB-CG1 4.02Å; A215-V237 HydrophobicContact CB-CG2 4.01Å; A215-V237 CarbonylContact O-C 3.59Å; A215-V237 WeakPolarHBondContact O-CA 3.47Å; A215-A238 PolarHBondContact O-N 2.99Å |
| 216 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 113 | 164.9 | -60.8 | -177.4 | 0 | 0 | 0 | 107.3 | C134 V135 L138 V151 V152 T153 A163 L167 A238 | C134-I216 HydrophobicContact CB-CB 4.41Å; C134-I216 HydrophobicContact CB-CD1 3.72Å; C134-I216 HydrophobicContact CB-CG1 3.88Å; C134-I216 HydrophobicContact CB-CG2 3.74Å; V135-I216 HydrophobicContact CG2-CD1 3.81Å; L138-I216 HydrophobicContact CD1-CD1 4.26Å; L138-I216 HydrophobicContact CD1-CG1 3.88Å; V151-I216 PolarHBondContact O-N 3.44Å; V152-I216 WeakPolarHBondContact CA-O 3.44Å; V152-I216 HydrophobicContact CG2-CB 4.5Å; T153-I216 PolarHBondContact N-O 2.98Å; A163-I216 HydrophobicContact CB-CD1 3.89Å; A163-I216 HydrophobicContact CB-CG2 4.23Å; L167-I216 HydrophobicContact CD1-CD1 3.94Å; L167-I216 HydrophobicContact CG-CD1 4.44Å; I216-A238 WeakPolarHBondContact CA-O 3.38Å |
| 217 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.2 | -176.5 | -177.8 | 69.9 | 0 | 0 | 0 | 112.5 | T153 V219 G220 L224 V237 A238 C240 | T153-D217 WeakPolarHBondContact CB-OD1 3.48Å; T153-D217 WeakPolarHBondContact CG2-OD1 3.43Å; T153-D217 VanDerWaalsContact OG1-CA 3.31Å; T153-D217 WeakPolarHBondContact OG1-CA 3.27Å; T153-D217 PolarHBondContact OG1-OD1 2.9Å; D217-V219 PolarHBondContact OD2-N 2.86Å; D217-G220 WeakPolarHBondContact OD2-CA 3.47Å; D217-G220 PolarHBondContact OD2-N 3.29Å; D217-L224 HydrophobicContact CB-CD1 3.92Å; D217-V237 HydrophobicContact CB-CG1 4.19Å; D217-A238 PolarHBondContact N-O 3.08Å; D217-C240 PolarHBondContact O-N 3.13Å; D217-C240 PolarHBondContact O-SG 3.48Å; D217-C240 VanDerWaalsContact O-SG 3.41Å |
| 218 | T | 98.5 | Very high | 98.7 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 12% | 0.123 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -113.9 | 1.6 | 177.5 | 84.9 | 0 | 0 | 0 | 0 | 112.5 | T153 V159 G241 L242 A243 | T153-T218 PolarHBondContact O-OG1 2.84Å; T153-T218 PolarHBondContact OG1-N 3.1Å; V159-T218 HydrophobicContact CB-CG2 3.84Å; V159-T218 HydrophobicContact CG1-CG2 3.73Å; T218-G241 CarbonylContact O-C 3.54Å; T218-G241 WeakPolarHBondContact O-CA 3.46Å; T218-L242 PolarHBondContact O-N 3.18Å; T218-A243 PolarHBondContact O-N 2.94Å |
| 219 | V | 98.4 | Very high | 98.7 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 9% | 0.085 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -107.8 | -42.2 | -166.8 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | T153 D217 V223 L242 A243 G244 | T153-V219 WeakPolarHBondContact OG1-CG2 3.41Å; D217-V219 PolarHBondContact OD2-N 2.86Å; V219-V223 HydrophobicContact CB-CB 4.2Å; V219-V223 HydrophobicContact CB-CG1 4.21Å; V219-V223 HydrophobicContact CG1-CB 3.87Å; V219-V223 HydrophobicContact CG1-CG1 4.31Å; V219-V223 HydrophobicContact CG1-CG2 3.82Å; V219-L242 CarbonylContact O-C 3.49Å; V219-L242 VanDerWaalsContact O-C 3.22Å; V219-L242 WeakPolarHBondContact O-CA 3.44Å; V219-A243 PolarHBondContact O-N 3.21Å; V219-G244 WeakPolarHBondContact O-CA 3.41Å; V219-G244 PolarHBondContact O-N 3.29Å |
| 220 | G | 98.2 | Very high | 98.7 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | 72 | -158.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D217 V223 L224 | D217-G220 WeakPolarHBondContact OD2-CA 3.47Å; D217-G220 PolarHBondContact OD2-N 3.29Å; G220-V223 PolarHBondContact O-N 3.19Å; G220-L224 PolarHBondContact O-N 3.4Å; G220-L224 VanDerWaalsContact O-N 3.12Å |
| 221 | D | 98.2 | Very high | 98.7 | Very high | 37 Ų | 37 | 16.2 Ų | 16.2 | 20% | 0.198 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | 51.5 | -147.2 | 175.3 | -147.7 | -66.9 | 0 | 0 | 0 | 113.7 | V223 L224 A225 T247 | D221-V223 PolarHBondContact O-N 3.13Å; D221-L224 PolarHBondContact O-N 3.19Å; D221-A225 PolarHBondContact O-N 3.35Å; D221-T247 WeakPolarHBondContact CA-O 3.32Å; D221-T247 PolarHBondContact N-O 3.33Å |
| 222 | K | 98.4 | Very high | 98.7 | Very high | 119 Ų | 119 | 16.2 Ų | 16.2 | 52% | 0.517 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -55 | -33 | 179.3 | -74.2 | 167 | 174.9 | -166.3 | 0 | 113.2 | A202 A225 K226 P249 | A202-K222 WeakPolarHBondContact O-CD 3.4Å; K222-A225 PolarHBondContact O-N 3.26Å; K222-K226 PolarHBondContact O-N 3.28Å; K222-P249 HydrophobicContact CG-CG 4.08Å |
| 223 | V | 98.7 | Very high | 98.7 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 9% | 0.085 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -52.4 | 178.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | T153 R198 F201 V219 G220 D221 A225 K226 V227 | T153-V223 HydrophobicContact CG2-CG1 3.82Å; R198-V223 HydrophobicContact CG-CG2 4.25Å; F201-V223 HydrophobicContact CB-CB 4.33Å; F201-V223 HydrophobicContact CB-CG1 4.2Å; F201-V223 HydrophobicContact CB-CG2 4Å; F201-V223 HydrophobicContact CD1-CG1 4.36Å; F201-V223 HydrophobicContact CG-CG1 4.38Å; V219-V223 HydrophobicContact CB-CB 4.2Å; V219-V223 HydrophobicContact CB-CG1 4.21Å; V219-V223 HydrophobicContact CG1-CB 3.87Å; V219-V223 HydrophobicContact CG1-CG1 4.31Å; V219-V223 HydrophobicContact CG1-CG2 3.82Å; G220-V223 PolarHBondContact O-N 3.19Å; D221-V223 PolarHBondContact O-N 3.13Å; V223-A225 VanDerWaalsContact C-N 3.33Å; V223-A225 PolarHBondContact O-N 2.89Å; V223-K226 PolarHBondContact O-N 2.66Å; V223-V227 WeakPolarHBondContact O-CG2 3.47Å; V223-V227 PolarHBondContact O-N 3.48Å |
| 224 | L | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 175.5 | 177.4 | 54.5 | 0 | 0 | 0 | 111.7 | D217 G220 D221 K226 V227 L228 V237 A239 L248 L262 | D217-L224 HydrophobicContact CB-CD1 3.92Å; G220-L224 PolarHBondContact O-N 3.4Å; G220-L224 VanDerWaalsContact O-N 3.12Å; D221-L224 PolarHBondContact O-N 3.19Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 3.4Å; L224-V227 PolarHBondContact O-N 3.07Å; L224-L228 HydrophobicContact CD1-CD1 4.31Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 4.24Å; L224-L228 WeakPolarHBondContact O-CG 3.5Å; L224-L228 PolarHBondContact O-N 2.96Å; L224-V237 HydrophobicContact CD1-CG1 3.64Å; L224-A239 HydrophobicContact CD2-CB 4.25Å; L224-L248 HydrophobicContact CB-CD1 4.33Å; L224-L248 HydrophobicContact CD2-CD1 3.8Å; L224-L248 HydrophobicContact CG-CD1 3.83Å; L224-L262 HydrophobicContact CD1-CD1 4.24Å |
| 225 | A | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D221 K222 V223 A229 P249 | D221-A225 PolarHBondContact O-N 3.35Å; K222-A225 PolarHBondContact O-N 3.26Å; V223-A225 VanDerWaalsContact C-N 3.33Å; V223-A225 PolarHBondContact O-N 2.89Å; A225-A229 PolarHBondContact O-N 3.47Å; A225-P249 HydrophobicContact CB-CG 4.24Å; A225-P249 WeakPolarHBondContact CB-O 3.47Å |
| 226 | K | 98.7 | Very high | 98.7 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 15% | 0.148 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.2 | -40.6 | 175.8 | -171 | 173.2 | -159.4 | 157.2 | 0 | 112.8 | E200 F201 E203 K222 V223 L224 L228 A229 Q230 | E200-K226 VanDerWaalsContact O-CD 3.31Å; E200-K226 WeakPolarHBondContact O-CD 3.42Å; E200-K226 VanDerWaalsContact O-CE 3.29Å; E200-K226 WeakPolarHBondContact O-CE 3.41Å; E200-K226 PolarHBondContact O-NZ 3.15Å; F201-K226 HydrophobicContact CB-CD 4.29Å; F201-K226 HydrophobicContact CD1-CB 4.23Å; F201-K226 HydrophobicContact CD1-CD 4.12Å; F201-K226 HydrophobicContact CD1-CG 4.29Å; F201-K226 HydrophobicContact CG-CD 4.38Å; E203-K226 VanDerWaalsContact O-CD 3.3Å; E203-K226 WeakPolarHBondContact O-CD 3.46Å; E203-K226 WeakPolarHBondContact O-CE 3.46Å; E203-K226 PolarHBondContact O-NZ 3.28Å; K222-K226 PolarHBondContact O-N 3.28Å; V223-K226 PolarHBondContact O-N 2.66Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 3.4Å; K226-L228 VanDerWaalsContact C-N 3.29Å; K226-L228 PolarHBondContact O-N 2.96Å; K226-A229 WeakPolarHBondContact O-CB 3.41Å; K226-A229 PolarHBondContact O-N 2.86Å; K226-A229 VanDerWaalsContact O-N 3.12Å; K226-Q230 HydrophobicContact CG-CG 4.48Å; K226-Q230 WeakPolarHBondContact O-CG 3.28Å; K226-Q230 PolarHBondContact O-N 3.41Å; K226-Q230 VanDerWaalsContact O-N 3.16Å |
| 227 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.1 | -46.9 | 175.2 | 168.3 | 0 | 0 | 0 | 0 | 110.1 | V151 T153 F201 A215 V223 L224 A229 Q230 M231 V237 | V151-V227 HydrophobicContact CG1-CG1 4.05Å; V151-V227 HydrophobicContact CG1-CG2 4.46Å; T153-V227 HydrophobicContact CG2-CG2 3.97Å; F201-V227 HydrophobicContact CD1-CG2 4.05Å; F201-V227 HydrophobicContact CE1-CG2 3.83Å; A215-V227 HydrophobicContact CB-CG1 3.58Å; V223-V227 WeakPolarHBondContact O-CG2 3.47Å; V223-V227 PolarHBondContact O-N 3.48Å; L224-V227 PolarHBondContact O-N 3.07Å; V227-A229 VanDerWaalsContact C-N 3.32Å; V227-A229 PolarHBondContact O-N 3.45Å; V227-Q230 PolarHBondContact O-N 2.7Å; V227-M231 HydrophobicContact CG1-SD 3.94Å; V227-M231 WeakPolarHBondContact O-CG 3.32Å; V227-M231 PolarHBondContact O-N 3.49Å; V227-V237 HydrophobicContact CG1-CG2 4.15Å |
| 228 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.2 | -43.5 | 175.6 | -73.2 | 166 | 0 | 0 | 0 | 112.4 | L224 K226 Q230 M231 V237 L248 T250 P254 F255 V260 L262 | L224-L228 HydrophobicContact CD1-CD1 4.31Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 4.24Å; L224-L228 WeakPolarHBondContact O-CG 3.5Å; L224-L228 PolarHBondContact O-N 2.96Å; K226-L228 VanDerWaalsContact C-N 3.29Å; K226-L228 PolarHBondContact O-N 2.96Å; L228-Q230 PolarHBondContact O-N 3.38Å; L228-M231 PolarHBondContact O-N 2.96Å; L228-V237 HydrophobicContact CD2-CB 4.4Å; L228-V237 HydrophobicContact CD2-CG2 3.86Å; L228-L248 HydrophobicContact CD1-CD1 4.21Å; L228-T250 HydrophobicContact CD1-CG2 4.27Å; L228-P254 HydrophobicContact CB-CG 4.42Å; L228-P254 WeakPolarHBondContact O-CB 3.28Å; L228-F255 HydrophobicContact CD1-CZ 4.09Å; L228-F255 HydrophobicContact CD2-CE1 4.23Å; L228-F255 HydrophobicContact CD2-CZ 3.99Å; L228-V260 HydrophobicContact CD2-CG1 3.99Å; L228-L262 HydrophobicContact CD1-CD2 4.43Å; L228-L262 HydrophobicContact CD2-CB 4.36Å; L228-L262 HydrophobicContact CD2-CD1 4.43Å |
| 229 | A | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.1 | -20 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | R205 E208 A225 K226 V227 R258 | R205-A229 WeakPolarHBondContact O-CB 3.45Å; E208-A229 HydrophobicContact CB-CB 4.33Å; E208-A229 HydrophobicContact CG-CB 3.96Å; E208-A229 PolarHBondContact N-O 3.28Å; A225-A229 PolarHBondContact O-N 3.47Å; K226-A229 WeakPolarHBondContact O-CB 3.41Å; K226-A229 PolarHBondContact O-N 2.86Å; K226-A229 VanDerWaalsContact O-N 3.12Å; V227-A229 VanDerWaalsContact C-N 3.32Å; V227-A229 PolarHBondContact O-N 3.45Å; A229-R258 PolarHBondContact O-NH1 2.86Å |
| 230 | Q | 98.9 | Very high | 98.7 | Very high | 28 Ų | 28 | 26 Ų | 26 | 13% | 0.131 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -101.7 | -3.6 | -177.8 | -69.6 | 175.4 | -18.5 | 0 | 0 | 114.2 | E208 K209 Q210 V211 W212 K226 V227 L228 | E208-Q230 HydrophobicContact CB-CG 3.66Å; E208-Q230 HydrophobicContact CG-CG 4.23Å; K209-Q230 WeakPolarHBondContact O-CA 3.29Å; Q210-Q230 CarbonylContact C-O 3.59Å; Q210-Q230 WeakPolarHBondContact CA-O 3.48Å; V211-Q230 PolarHBondContact N-O 3.01Å; W212-Q230 PolarHBondContact N-O 2.95Å; K226-Q230 HydrophobicContact CG-CG 4.48Å; K226-Q230 WeakPolarHBondContact O-CG 3.28Å; K226-Q230 PolarHBondContact O-N 3.41Å; K226-Q230 VanDerWaalsContact O-N 3.16Å; V227-Q230 PolarHBondContact O-N 2.7Å; L228-Q230 PolarHBondContact O-N 3.38Å |
| 231 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 142.5 | 179.5 | -63 | -51.9 | -61.9 | 0 | 0 | 112 | W212 A215 V227 L228 C236 V237 R258 V260 | W212-M231 HydrophobicContact CB-CE 3.98Å; W212-M231 HydrophobicContact CB-SD 3.71Å; W212-M231 HydrophobicContact CG-SD 4.34Å; W212-M231 WeakPolarHBondContact O-CE 3.39Å; A215-M231 HydrophobicContact CB-CE 4.49Å; A215-M231 HydrophobicContact CB-SD 4.16Å; V227-M231 HydrophobicContact CG1-SD 3.94Å; V227-M231 WeakPolarHBondContact O-CG 3.32Å; V227-M231 PolarHBondContact O-N 3.49Å; L228-M231 PolarHBondContact O-N 2.96Å; M231-C236 WeakPolarHBondContact CE-O 3.48Å; M231-V237 HydrophobicContact CE-CG2 4.05Å; M231-V237 HydrophobicContact CG-CG2 3.77Å; M231-V237 HydrophobicContact SD-CG2 3.58Å; M231-V237 VanDerWaalsContact SD-CG2 3.58Å; M231-R258 WeakPolarHBondContact O-CD 3.46Å; M231-R258 PolarHBondContact O-NH1 2.82Å; M231-V260 HydrophobicContact CB-CG1 4.1Å; M231-V260 HydrophobicContact CB-CG2 3.6Å; M231-V260 HydrophobicContact CG-CG1 3.91Å; M231-V260 HydrophobicContact CG-CG2 4.32Å |
| 232 | N | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 21% | 0.209 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 157 | 167 | -68.4 | -11.8 | 0 | 0 | 0 | 110.5 | Q210 V211 W212 G234 G235 | Q210-N232 VanDerWaalsContact C-OD1 3.29Å; Q210-N232 WeakPolarHBondContact CB-OD1 3.4Å; V211-N232 VanDerWaalsContact C-OD1 3.29Å; V211-N232 PolarHBondContact N-OD1 2.76Å; W212-N232 PolarHBondContact N-OD1 3.18Å; W212-N232 WeakPolarHBondContact O-CB 3.28Å; W212-N232 PolarHBondContact O-N 2.97Å; N232-G234 PolarHBondContact O-N 3.05Å; N232-G235 PolarHBondContact O-N 3.31Å |
| 233 | Y | 98.7 | Very high | 98.4 | Very high | 163 Ų | 163 | 26.8 Ų | 26.8 | 64% | 0.639 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 125.3 | 172.9 | -170.3 | -79.3 | 0 | 0 | 0 | 110.4 | G235 R258 N259 | Y233-G235 VanDerWaalsContact C-N 3.26Å; Y233-G235 PolarHBondContact O-N 3.38Å; Y233-R258 CarbonylContact C-O 3.43Å; Y233-R258 VanDerWaalsContact CA-O 3.31Å; Y233-R258 WeakPolarHBondContact CA-O 3.44Å; Y233-R258 HydrophobicContact CD2-CB 4.4Å; Y233-N259 HydrophobicContact CE1-CB 4.2Å; Y233-N259 HydrophobicContact CE2-CB 4.49Å |
| 234 | G | 98.6 | Very high | 98.2 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.5 | 2.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N232 R258 | N232-G234 PolarHBondContact O-N 3.05Å; G234-R258 PolarHBondContact N-O 3.11Å |
| 235 | G | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 159.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A213 N232 Y233 V260 R261 | A213-G235 VanDerWaalsContact O-CA 3.26Å; A213-G235 WeakPolarHBondContact O-CA 3.35Å; N232-G235 PolarHBondContact O-N 3.31Å; Y233-G235 VanDerWaalsContact C-N 3.26Å; Y233-G235 PolarHBondContact O-N 3.38Å; G235-V260 WeakPolarHBondContact O-CA 3.41Å; G235-R261 PolarHBondContact O-N 2.85Å |
| 236 | C | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.4 | -178.8 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | L138 A141 V143 A213 G214 A215 M231 R261 | L138-C236 HydrophobicContact CD2-CB 3.87Å; L138-C236 VanDerWaalsContact CD2-O 3.27Å; L138-C236 WeakPolarHBondContact CD2-O 3.46Å; A141-C236 HydrophobicContact CB-CB 3.47Å; A141-C236 VanDerWaalsContact CB-CB 3.47Å; V143-C236 HydrophobicContact CG2-CB 4.05Å; A213-C236 PolarHBondContact O-N 3.44Å; G214-C236 CarbonylContact C-O 3.55Å; G214-C236 WeakPolarHBondContact CA-O 3.31Å; A215-C236 PolarHBondContact N-O 3.05Å; M231-C236 WeakPolarHBondContact CE-O 3.48Å; C236-R261 CarbonylContact C-O 3.58Å; C236-R261 WeakPolarHBondContact CA-O 3.42Å; C236-R261 HydrophobicContact CB-CB 4.25Å |
| 237 | V | 99 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.2 | 169.8 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | A215 D217 L224 V227 L228 M231 R261 L262 Q263 | A215-V237 HydrophobicContact CB-CB 4.31Å; A215-V237 HydrophobicContact CB-CG1 4.02Å; A215-V237 HydrophobicContact CB-CG2 4.01Å; A215-V237 CarbonylContact O-C 3.59Å; A215-V237 WeakPolarHBondContact O-CA 3.47Å; D217-V237 HydrophobicContact CB-CG1 4.19Å; L224-V237 HydrophobicContact CD1-CG1 3.64Å; V227-V237 HydrophobicContact CG1-CG2 4.15Å; L228-V237 HydrophobicContact CD2-CB 4.4Å; L228-V237 HydrophobicContact CD2-CG2 3.86Å; M231-V237 HydrophobicContact CE-CG2 4.05Å; M231-V237 HydrophobicContact CG-CG2 3.77Å; M231-V237 HydrophobicContact SD-CG2 3.58Å; M231-V237 VanDerWaalsContact SD-CG2 3.58Å; V237-R261 PolarHBondContact N-O 3.28Å; V237-L262 HydrophobicContact CB-CD1 3.95Å; V237-L262 HydrophobicContact CG1-CD1 3.94Å; V237-Q263 PolarHBondContact O-N 3.48Å |
| 238 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | C134 A137 L138 A215 I216 D217 Q263 V265 | C134-A238 HydrophobicContact CB-CB 3.7Å; A137-A238 HydrophobicContact CB-CB 4.22Å; L138-A238 HydrophobicContact CD2-CB 4.39Å; A215-A238 PolarHBondContact O-N 2.99Å; I216-A238 WeakPolarHBondContact CA-O 3.38Å; D217-A238 PolarHBondContact N-O 3.08Å; A238-Q263 WeakPolarHBondContact CA-O 3.34Å; A238-V265 HydrophobicContact CB-CG2 4.15Å |
| 239 | A | 98.9 | Very high | 97.8 | Very high | 19 Ų | 19 | 46 Ų | 46 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.4 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L224 L262 Q263 V265 | L224-A239 HydrophobicContact CD2-CB 4.25Å; A239-L262 HydrophobicContact CB-CD1 3.73Å; A239-Q263 PolarHBondContact N-O 3.41Å; A239-V265 PolarHBondContact O-N 3.46Å |
| 240 | C | 98.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 22% | 0.223 | 29% | 0.29 | C | S | . | . | trans | -140.1 | 4.7 | -172.7 | 70.5 | 0 | 0 | 0 | 0 | 114.6 | T130 D217 V265 | T130-C240 HydrophobicContact CG2-CB 3.54Å; D217-C240 PolarHBondContact O-N 3.13Å; D217-C240 PolarHBondContact O-SG 3.48Å; D217-C240 VanDerWaalsContact O-SG 3.41Å; C240-V265 HydrophobicContact CB-CB 4.05Å | ||
| 241 | G | 96.3 | Very high | 97.7 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | trans | -144.9 | 170.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | T218 | T218-G241 CarbonylContact O-C 3.54Å; T218-G241 WeakPolarHBondContact O-CA 3.46Å | ||
| 242 | L | 96.4 | Very high | 97.7 | Very high | 91 Ų | 91 | 54.1 Ų | 54.1 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | trans | -145.9 | 24.5 | -173.9 | 55.1 | 76.1 | 0 | 0 | 0 | 111.9 | Y41 T218 V219 G244 G245 | Y41-L242 HydrophobicContact CE1-CD1 4.02Å; T218-L242 PolarHBondContact O-N 3.18Å; V219-L242 CarbonylContact O-C 3.49Å; V219-L242 VanDerWaalsContact O-C 3.22Å; V219-L242 WeakPolarHBondContact O-CA 3.44Å; L242-G244 PolarHBondContact O-N 2.94Å; L242-G244 VanDerWaalsContact O-N 3.16Å; L242-G245 PolarHBondContact O-N 3.25Å | ||
| 243 | A | 94.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 56 Ų | 56 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T218 V219 | T218-A243 PolarHBondContact O-N 2.94Å; V219-A243 PolarHBondContact O-N 3.21Å |
| 244 | G | 94.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 48.2 Ų | 48.2 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -19.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V219 L242 | V219-G244 WeakPolarHBondContact O-CA 3.41Å; V219-G244 PolarHBondContact O-N 3.29Å; L242-G244 PolarHBondContact O-N 2.94Å; L242-G244 VanDerWaalsContact O-N 3.16Å |
| 245 | G | 95.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | 149.1 | 156.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L242 | L242-G245 PolarHBondContact O-N 3.25Å |
| 246 | F | 95.9 | Very high | 97.7 | Very high | 183 Ų | 183 | 54.8 Ų | 54.8 | 80% | 0.803 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -91 | -8.7 | 178.3 | 67 | -95.5 | 0 | 0 | 0 | 113.4 | ||
| 247 | T | 97.8 | Very high | 97.7 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | trans | -69.5 | 149.3 | 175.4 | -51 | 0 | 0 | 0 | 0 | 109.4 | D221 | D221-T247 WeakPolarHBondContact CA-O 3.32Å; D221-T247 PolarHBondContact N-O 3.33Å | ||
| 248 | L | 98.5 | Very high | 97.7 | Very high | 74 Ų | 74 | 61 Ų | 61 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | trans | -125.7 | 83.8 | 171.1 | -179.4 | 56.5 | 0 | 0 | 0 | 110 | L224 L228 T250 L262 | L224-L248 HydrophobicContact CB-CD1 4.33Å; L224-L248 HydrophobicContact CD2-CD1 3.8Å; L224-L248 HydrophobicContact CG-CD1 3.83Å; L228-L248 HydrophobicContact CD1-CD1 4.21Å; L248-T250 HydrophobicContact CD1-CG2 4.29Å; L248-T250 HydrophobicContact CD2-CG2 4.27Å; L248-T250 HydrophobicContact CG-CG2 3.91Å; L248-T250 PolarHBondContact O-N 3.42Å; L248-L262 HydrophobicContact CD2-CD2 4.04Å | ||
| 249 | P | 97.9 | Very high | 97.7 | Very high | 65 Ų | 65 | 66.1 Ų | 66.1 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | trans | -81.4 | 63.4 | -175.7 | 34.6 | -35.2 | 0 | 0 | 0 | 111.7 | K222 A225 | K222-P249 HydrophobicContact CG-CG 4.08Å; A225-P249 HydrophobicContact CB-CG 4.24Å; A225-P249 WeakPolarHBondContact CB-O 3.47Å | ||
| 250 | T | 98.4 | Very high | 97.7 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 30% | 0.301 | 38% | 0.38 | S | S | . | . | trans | -109.7 | -177.7 | -178.1 | -160.2 | 0 | 0 | 0 | 0 | 113.2 | L228 L248 F255 | L228-T250 HydrophobicContact CD1-CG2 4.27Å; L248-T250 HydrophobicContact CD1-CG2 4.29Å; L248-T250 HydrophobicContact CD2-CG2 4.27Å; L248-T250 HydrophobicContact CG-CG2 3.91Å; L248-T250 PolarHBondContact O-N 3.42Å; T250-F255 HydrophobicContact CG2-CE2 4.29Å | ||
| 251 | T | 98.5 | Very high | 97.7 | Very high | 54 Ų | 54 | 69.6 Ų | 69.6 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | trans | -123.8 | 165.3 | 171.8 | 76.1 | 0 | 0 | 0 | 0 | 110.4 | P206 M253 P254 F255 | P206-T251 HydrophobicContact CB-CG2 4Å; P206-T251 HydrophobicContact CG-CG2 4.1Å; T251-M253 PolarHBondContact O-N 3.46Å; T251-M253 WeakPolarHBondContact OG1-CB 3.49Å; T251-M253 WeakPolarHBondContact OG1-CG 3.21Å; T251-M253 PolarHBondContact OG1-N 2.95Å; T251-P254 WeakPolarHBondContact O-CD 3.17Å; T251-F255 WeakPolarHBondContact O-CE2 3.43Å | ||
| 252 | V | 98.6 | Very high | 97.8 | Very high | 98 Ų | 98 | 71 Ų | 71 | 59% | 0.594 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73.6 | -9.2 | 175.2 | -63.2 | 0 | 0 | 0 | 0 | 113.7 | F255 I256 | V252-F255 WeakPolarHBondContact O-CB 3.48Å; V252-F255 PolarHBondContact O-N 2.88Å; V252-F255 VanDerWaalsContact O-N 3.12Å; V252-I256 HydrophobicContact CB-CG2 4.47Å; V252-I256 HydrophobicContact CG2-CD1 4Å; V252-I256 PolarHBondContact O-N 3.14Å |
| 253 | M | 98.8 | Very high | 97.9 | Very high | 79 Ų | 79 | 70.8 Ų | 70.8 | 39% | 0.389 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | -171.3 | -62.1 | -71.2 | -132.3 | 0 | 0 | 114.1 | P206 L207 T251 F255 L257 | P206-M253 HydrophobicContact CB-CB 4.22Å; P206-M253 HydrophobicContact CB-CG 3.94Å; L207-M253 HydrophobicContact CD1-CB 4.49Å; L207-M253 HydrophobicContact CD2-CB 4.23Å; L207-M253 HydrophobicContact CG-CB 4.03Å; T251-M253 PolarHBondContact O-N 3.46Å; T251-M253 WeakPolarHBondContact OG1-CB 3.49Å; T251-M253 WeakPolarHBondContact OG1-CG 3.21Å; T251-M253 PolarHBondContact OG1-N 2.95Å; M253-F255 PolarHBondContact O-N 2.93Å; M253-L257 HydrophobicContact CB-CD1 4.32Å; M253-L257 VanDerWaalsContact O-CB 3.23Å; M253-L257 WeakPolarHBondContact O-CB 3.31Å; M253-L257 PolarHBondContact O-N 3.24Å; M253-L257 HydrophobicContact SD-CD1 3.69Å; M253-L257 HydrophobicContact SD-CG 4.44Å |
| 254 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 176 | -23.8 | 35.2 | 0 | 0 | 0 | 112.8 | L207 L228 T251 R258 N259 V260 | L207-P254 HydrophobicContact CD2-CB 4.34Å; L207-P254 HydrophobicContact CD2-CG 4.08Å; L228-P254 HydrophobicContact CB-CG 4.42Å; L228-P254 WeakPolarHBondContact O-CB 3.28Å; T251-P254 WeakPolarHBondContact O-CD 3.17Å; P254-R258 CarbonylContact O-C 3.58Å; P254-R258 WeakPolarHBondContact O-CA 3.36Å; P254-R258 VanDerWaalsContact O-CB 3.28Å; P254-R258 WeakPolarHBondContact O-CB 3.26Å; P254-R258 PolarHBondContact O-N 3.09Å; P254-N259 PolarHBondContact O-N 3.02Å; P254-V260 HydrophobicContact CB-CB 4.36Å; P254-V260 HydrophobicContact CB-CG2 4.13Å; P254-V260 WeakPolarHBondContact O-CG2 3.4Å; P254-V260 PolarHBondContact O-N 3.38Å |
| 255 | F | 98.9 | Very high | 98.3 | Very high | 59 Ų | 59 | 69.4 Ų | 69.4 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.3 | -52.7 | -178 | -52 | -86.2 | 0 | 0 | 0 | 111.1 | L228 T250 T251 V252 M253 N259 V260 L262 | L228-F255 HydrophobicContact CD1-CZ 4.09Å; L228-F255 HydrophobicContact CD2-CE1 4.23Å; L228-F255 HydrophobicContact CD2-CZ 3.99Å; T250-F255 HydrophobicContact CG2-CE2 4.29Å; T251-F255 WeakPolarHBondContact O-CE2 3.43Å; V252-F255 WeakPolarHBondContact O-CB 3.48Å; V252-F255 PolarHBondContact O-N 2.88Å; V252-F255 VanDerWaalsContact O-N 3.12Å; M253-F255 PolarHBondContact O-N 2.93Å; F255-N259 WeakPolarHBondContact O-CA 3.49Å; F255-N259 PolarHBondContact O-N 2.94Å; F255-V260 WeakPolarHBondContact CD1-O 3.37Å; F255-L262 HydrophobicContact CE1-CB 3.8Å; F255-L262 HydrophobicContact CZ-CB 4.39Å; F255-L262 HydrophobicContact CZ-CD2 4.43Å |
| 256 | I | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 72.7 Ų | 72.7 | 61% | 0.605 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -82.1 | -23.5 | -172.4 | 72.8 | -177.5 | 0 | 0 | 0 | 113.6 | V252 | V252-I256 HydrophobicContact CB-CG2 4.47Å; V252-I256 HydrophobicContact CG2-CD1 4Å; V252-I256 PolarHBondContact O-N 3.14Å |
| 257 | L | 98.7 | Very high | 98.6 | Very high | 97 Ų | 97 | 64.7 Ų | 64.7 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -104.7 | -21.6 | -178.2 | -56.4 | -179.3 | 0 | 0 | 0 | 113.6 | L207 M253 | L207-L257 HydrophobicContact CD1-CB 4.35Å; L207-L257 HydrophobicContact CD1-CD1 3.84Å; M253-L257 HydrophobicContact CB-CD1 4.32Å; M253-L257 VanDerWaalsContact O-CB 3.23Å; M253-L257 WeakPolarHBondContact O-CB 3.31Å; M253-L257 PolarHBondContact O-N 3.24Å; M253-L257 HydrophobicContact SD-CD1 3.69Å; M253-L257 HydrophobicContact SD-CG 4.44Å |
| 258 | R | 98.7 | Very high | 98.7 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 13% | 0.125 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -123.1 | 6.4 | 178.7 | -65.2 | -174.2 | -179.1 | 163.9 | 5 | 113.9 | L207 E208 A229 M231 Y233 G234 P254 V260 | L207-R258 HydrophobicContact CD2-CG 4.4Å; E208-R258 VanDerWaalsContact O-CZ 3.26Å; E208-R258 PolarHBondContact O-NH1 3.46Å; E208-R258 PolarHBondContact O-NH2 2.85Å; A229-R258 PolarHBondContact O-NH1 2.86Å; M231-R258 WeakPolarHBondContact O-CD 3.46Å; M231-R258 PolarHBondContact O-NH1 2.82Å; Y233-R258 CarbonylContact C-O 3.43Å; Y233-R258 VanDerWaalsContact CA-O 3.31Å; Y233-R258 WeakPolarHBondContact CA-O 3.44Å; Y233-R258 HydrophobicContact CD2-CB 4.4Å; G234-R258 PolarHBondContact N-O 3.11Å; P254-R258 CarbonylContact O-C 3.58Å; P254-R258 WeakPolarHBondContact O-CA 3.36Å; P254-R258 VanDerWaalsContact O-CB 3.28Å; P254-R258 WeakPolarHBondContact O-CB 3.26Å; P254-R258 PolarHBondContact O-N 3.09Å; R258-V260 HydrophobicContact CB-CG2 3.87Å; R258-V260 PolarHBondContact O-N 3.35Å; R258-V260 VanDerWaalsContact O-N 3.12Å |
| 259 | N | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 64.2 Ų | 64.2 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | trans | 53.7 | 34.2 | 177.8 | -156.3 | 67.7 | 0 | 0 | 0 | 113.1 | Y233 P254 F255 | Y233-N259 HydrophobicContact CE1-CB 4.2Å; Y233-N259 HydrophobicContact CE2-CB 4.49Å; P254-N259 PolarHBondContact O-N 3.02Å; F255-N259 WeakPolarHBondContact O-CA 3.49Å; F255-N259 PolarHBondContact O-N 2.94Å | ||
| 260 | V | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | trans | -71.1 | 136.8 | -178.3 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | L228 M231 G235 P254 F255 R258 | L228-V260 HydrophobicContact CD2-CG1 3.99Å; M231-V260 HydrophobicContact CB-CG1 4.1Å; M231-V260 HydrophobicContact CB-CG2 3.6Å; M231-V260 HydrophobicContact CG-CG1 3.91Å; M231-V260 HydrophobicContact CG-CG2 4.32Å; G235-V260 WeakPolarHBondContact O-CA 3.41Å; P254-V260 HydrophobicContact CB-CB 4.36Å; P254-V260 HydrophobicContact CB-CG2 4.13Å; P254-V260 WeakPolarHBondContact O-CG2 3.4Å; P254-V260 PolarHBondContact O-N 3.38Å; F255-V260 WeakPolarHBondContact CD1-O 3.37Å; R258-V260 HydrophobicContact CB-CG2 3.87Å; R258-V260 PolarHBondContact O-N 3.35Å; R258-V260 VanDerWaalsContact O-N 3.12Å | ||
| 261 | R | 98.9 | Very high | 98.7 | Very high | 116 Ų | 116 | 62.9 Ų | 62.9 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.6 | 171.9 | -174.4 | -177.4 | -62.2 | 177.2 | 3.3 | 110.5 | D140 A141 G235 C236 V237 | D140-R261 PolarHBondContact O-NH1 3.38Å; A141-R261 VanDerWaalsContact CA-NH1 3.34Å; G235-R261 PolarHBondContact O-N 2.85Å; C236-R261 CarbonylContact C-O 3.58Å; C236-R261 WeakPolarHBondContact CA-O 3.42Å; C236-R261 HydrophobicContact CB-CB 4.25Å; V237-R261 PolarHBondContact N-O 3.28Å |
| 262 | L | 98.9 | Very high | 98.6 | Very high | 58 Ų | 58 | 64.6 Ų | 64.6 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109.1 | 165.4 | 177.1 | 62.2 | 0 | 0 | 0 | 108.7 | L224 L228 V237 A239 L248 F255 | L224-L262 HydrophobicContact CD1-CD1 4.24Å; L228-L262 HydrophobicContact CD1-CD2 4.43Å; L228-L262 HydrophobicContact CD2-CB 4.36Å; L228-L262 HydrophobicContact CD2-CD1 4.43Å; V237-L262 HydrophobicContact CB-CD1 3.95Å; V237-L262 HydrophobicContact CG1-CD1 3.94Å; A239-L262 HydrophobicContact CB-CD1 3.73Å; L248-L262 HydrophobicContact CD2-CD2 4.04Å; F255-L262 HydrophobicContact CE1-CB 3.8Å; F255-L262 HydrophobicContact CZ-CB 4.39Å; F255-L262 HydrophobicContact CZ-CD2 4.43Å |
| 263 | Q | 98.9 | Very high | 98.6 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114 | 180 | -179.9 | 59.6 | 64.1 | 0 | 0 | 109.6 | A137 V237 A238 A239 V265 | A137-Q263 HydrophobicContact CB-CB 4.48Å; A137-Q263 HydrophobicContact CB-CG 3.87Å; V237-Q263 PolarHBondContact O-N 3.48Å; A238-Q263 WeakPolarHBondContact CA-O 3.34Å; A239-Q263 PolarHBondContact N-O 3.41Å; Q263-V265 HydrophobicContact CG-CG2 4.43Å |
| 264 | G | 98.8 | Very high | 98.6 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 54% | 0.536 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 265 | V | 98.9 | Very high | 98.5 | Very high | 26 Ų | 26 | 67.9 Ų | 67.9 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | trans | -119.6 | 113.6 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | T130 L133 A137 A238 A239 C240 Q263 | T130-V265 HydrophobicContact CG2-CG1 4.24Å; L133-V265 HydrophobicContact CB-CG1 3.6Å; L133-V265 HydrophobicContact CD1-CG1 4.25Å; A137-V265 HydrophobicContact CB-CG2 4.42Å; A238-V265 HydrophobicContact CB-CG2 4.15Å; A239-V265 PolarHBondContact O-N 3.46Å; C240-V265 HydrophobicContact CB-CB 4.05Å; Q263-V265 HydrophobicContact CG-CG2 4.43Å | ||
| 266 | D | 98.7 | Very high | 98.5 | Very high | 88 Ų | 88 | 67 Ų | 67 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | trans | -106.1 | 125 | 172 | 173.8 | 46.7 | 0 | 0 | 0 | 110.4 | V268 M269 T270 | D266-V268 WeakPolarHBondContact OD1-CB 3.38Å; D266-V268 WeakPolarHBondContact OD1-CG2 3.41Å; D266-V268 PolarHBondContact OD1-N 3.24Å; D266-M269 WeakPolarHBondContact OD2-CB 3.23Å; D266-M269 PolarHBondContact OD2-N 2.91Å; D266-T270 PolarHBondContact O-OG1 2.96Å | ||
| 267 | S | 98.5 | Very high | 98.5 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -92.2 | -17.7 | 173.8 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | T130 T270 R275 | T130-S267 VanDerWaalsContact OG1-CB 3.22Å; T130-S267 WeakPolarHBondContact OG1-CB 3.3Å; T130-S267 PolarHBondContact OG1-OG 3.22Å; T130-S267 VanDerWaalsContact OG1-OG 3.07Å; S267-T270 WeakPolarHBondContact CA-OG1 3.32Å; S267-T270 PolarHBondContact O-OG1 2.81Å; S267-R275 PolarHBondContact O-NH2 2.75Å |
| 268 | V | 98.3 | Very high | 98.5 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -69.5 | -49.1 | -171.9 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | W88 D266 R275 | W88-V268 PolarHBondContact N-O 3.45Å; D266-V268 WeakPolarHBondContact OD1-CB 3.38Å; D266-V268 WeakPolarHBondContact OD1-CG2 3.41Å; D266-V268 PolarHBondContact OD1-N 3.24Å; V268-R275 PolarHBondContact O-NH2 2.97Å |
| 269 | M | 98.3 | Very high | 98.5 | Very high | 117 Ų | 117 | 59.3 Ų | 59.3 | 58% | 0.576 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -108.7 | 23.3 | -174.6 | -57.2 | -59.5 | -68.6 | 0 | 0 | 112.7 | W88 D266 P271 | W88-M269 HydrophobicContact CE3-CE 4.09Å; W88-M269 HydrophobicContact CE3-SD 3.82Å; W88-M269 HydrophobicContact CZ3-CB 4.5Å; W88-M269 HydrophobicContact CZ3-CE 3.92Å; W88-M269 HydrophobicContact CZ3-SD 4.07Å; D266-M269 WeakPolarHBondContact OD2-CB 3.23Å; D266-M269 PolarHBondContact OD2-N 2.91Å; M269-P271 WeakPolarHBondContact O-CD 3.39Å |
| 270 | T | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | trans | -56.6 | 122.4 | 177.8 | -51.6 | 0 | 0 | 0 | 0 | 110.3 | W88 F129 L133 D266 S267 R274 R275 | W88-T270 VanDerWaalsContact CH2-O 3.25Å; W88-T270 WeakPolarHBondContact CH2-O 3.49Å; W88-T270 VanDerWaalsContact CZ2-O 3.28Å; W88-T270 WeakPolarHBondContact CZ2-O 3.42Å; F129-T270 HydrophobicContact CE1-CG2 4.47Å; F129-T270 HydrophobicContact CZ-CG2 3.96Å; L133-T270 HydrophobicContact CD1-CG2 4.2Å; L133-T270 WeakPolarHBondContact CD1-OG1 3.23Å; L133-T270 HydrophobicContact CD2-CG2 4.07Å; D266-T270 PolarHBondContact O-OG1 2.96Å; S267-T270 WeakPolarHBondContact CA-OG1 3.32Å; S267-T270 PolarHBondContact O-OG1 2.81Å; T270-R274 HydrophobicContact CG2-CB 3.83Å; T270-R274 HydrophobicContact CG2-CG 3.86Å; T270-R275 HydrophobicContact CG2-CB 4.24Å | ||
| 271 | P | 98.1 | Very high | 98.5 | Very high | 79 Ų | 79 | 62.4 Ų | 62.4 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | trans | -56.9 | 150.3 | -178 | -26.7 | 34.6 | 0 | 0 | 0 | 112.7 | M269 E273 R274 R275 | M269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-E273 VanDerWaalsContact C-N 3.31Å; P271-E273 PolarHBondContact O-N 2.81Å; P271-E273 VanDerWaalsContact O-N 3.17Å; P271-R274 PolarHBondContact O-N 3.32Å; P271-R274 VanDerWaalsContact O-N 3.13Å; P271-R275 WeakPolarHBondContact O-CB 3.34Å; P271-R275 PolarHBondContact O-N 3.46Å | ||
| 272 | P | 97.3 | Very high | 98.5 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 58% | 0.578 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -51.7 | -43.1 | -174.1 | -30 | 35.9 | 0 | 0 | 0 | 114.6 | R275 A276 | P272-R275 PolarHBondContact O-N 2.8Å; P272-A276 WeakPolarHBondContact O-CB 3.4Å; P272-A276 PolarHBondContact O-N 3.02Å |
| 273 | E | 97.9 | Very high | 98.4 | Very high | 174 Ų | 174 | 56.4 Ų | 56.4 | 81% | 0.813 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.4 | -48.1 | 180 | -64.7 | 180 | 178.3 | 0 | 0 | 112.2 | P271 R275 A276 Q277 | P271-E273 VanDerWaalsContact C-N 3.31Å; P271-E273 PolarHBondContact O-N 2.81Å; P271-E273 VanDerWaalsContact O-N 3.17Å; E273-R275 VanDerWaalsContact C-N 3.32Å; E273-R275 PolarHBondContact O-N 3.23Å; E273-A276 PolarHBondContact O-N 3.24Å; E273-Q277 WeakPolarHBondContact O-CB 3.45Å; E273-Q277 PolarHBondContact O-N 3.29Å |
| 274 | R | 98.6 | Very high | 98.4 | Very high | 69 Ų | 69 | 55.6 Ų | 55.6 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 178.3 | -169.8 | 76.6 | 171.5 | 177.8 | -4 | 111.1 | L133 D140 T270 P271 Q277 A278 | L133-R274 HydrophobicContact CD2-CG 4.07Å; D140-R274 IonicContact OD2-CZ 2.61Å; D140-R274 IonicContact OD2-NH1 3.1Å; D140-R274 PolarHBondContact OD2-NH1 2.79Å; D140-R274 IonicContact OD2-NH2 3.26Å; D140-R274 PolarHBondContact OD2-NH2 2.89Å; T270-R274 HydrophobicContact CG2-CB 3.83Å; T270-R274 HydrophobicContact CG2-CG 3.86Å; P271-R274 PolarHBondContact O-N 3.32Å; P271-R274 VanDerWaalsContact O-N 3.13Å; R274-Q277 PolarHBondContact O-N 3.01Å; R274-A278 WeakPolarHBondContact O-CB 3.32Å; R274-A278 PolarHBondContact O-N 2.81Å |
| 275 | R | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -48 | 174.9 | 178.3 | 178.5 | -62.5 | -83.8 | 1.8 | 111.2 | T86 V110 F129 S267 V268 T270 P271 P272 E273 A278 W279 | T86-R275 PolarHBondContact O-NH1 3.02Å; T86-R275 PolarHBondContact O-NH2 3.17Å; T86-R275 PolarHBondContact OG1-NH1 2.64Å; V110-R275 HydrophobicContact CG2-CG 3.92Å; F129-R275 HydrophobicContact CE2-CB 4.24Å; F129-R275 HydrophobicContact CE2-CG 3.84Å; F129-R275 HydrophobicContact CZ-CB 4Å; F129-R275 HydrophobicContact CZ-CG 3.8Å; S267-R275 PolarHBondContact O-NH2 2.75Å; V268-R275 PolarHBondContact O-NH2 2.97Å; T270-R275 HydrophobicContact CG2-CB 4.24Å; P271-R275 WeakPolarHBondContact O-CB 3.34Å; P271-R275 PolarHBondContact O-N 3.46Å; P272-R275 PolarHBondContact O-N 2.8Å; E273-R275 VanDerWaalsContact C-N 3.32Å; E273-R275 PolarHBondContact O-N 3.23Å; R275-A278 PolarHBondContact O-N 2.98Å; R275-W279 PolarHBondContact O-N 3Å; R275-W279 VanDerWaalsContact O-N 3.08Å |
| 276 | A | 97.9 | Very high | 98.3 | Very high | 40 Ų | 40 | 53.6 Ų | 53.6 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P272 E273 A278 W279 Q280 | P272-A276 WeakPolarHBondContact O-CB 3.4Å; P272-A276 PolarHBondContact O-N 3.02Å; E273-A276 PolarHBondContact O-N 3.24Å; A276-A278 PolarHBondContact O-N 3.42Å; A276-W279 PolarHBondContact O-N 2.82Å; A276-Q280 WeakPolarHBondContact O-CG 3.37Å; A276-Q280 PolarHBondContact O-N 2.99Å |
| 277 | Q | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.2 | -172.3 | -174.6 | 21.9 | 0 | 0 | 112 | M136 E273 R274 W279 Q280 R281 | M136-Q277 HydrophobicContact CE-CB 4.26Å; M136-Q277 VanDerWaalsContact CE-CD 3.48Å; M136-Q277 HydrophobicContact CE-CG 3.82Å; E273-Q277 WeakPolarHBondContact O-CB 3.45Å; E273-Q277 PolarHBondContact O-N 3.29Å; R274-Q277 PolarHBondContact O-N 3.01Å; Q277-W279 PolarHBondContact O-N 3.07Å; Q277-Q280 PolarHBondContact O-N 3.35Å; Q277-R281 WeakPolarHBondContact O-CG 3.36Å; Q277-R281 PolarHBondContact O-N 3.05Å |
| 278 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F129 M132 L133 M136 R274 R275 A276 R281 L282 | F129-A278 HydrophobicContact CD2-CB 4.04Å; F129-A278 HydrophobicContact CE2-CB 3.65Å; F129-A278 HydrophobicContact CZ-CB 4.48Å; M132-A278 HydrophobicContact CG-CB 4.16Å; L133-A278 HydrophobicContact CD2-CB 3.91Å; L133-A278 HydrophobicContact CG-CB 4.49Å; M136-A278 HydrophobicContact SD-CB 3.86Å; R274-A278 WeakPolarHBondContact O-CB 3.32Å; R274-A278 PolarHBondContact O-N 2.81Å; R275-A278 PolarHBondContact O-N 2.98Å; A276-A278 PolarHBondContact O-N 3.42Å; A278-R281 PolarHBondContact O-N 3.07Å; A278-L282 WeakPolarHBondContact O-CB 3.44Å; A278-L282 WeakPolarHBondContact O-CD1 3.4Å; A278-L282 WeakPolarHBondContact O-CG 3.38Å; A278-L282 PolarHBondContact O-N 3.02Å |
| 279 | W | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 174.6 | -81.8 | 114.1 | 0 | 0 | 0 | 113 | L84 T86 P113 L116 I124 F129 R275 A276 Q277 L282 V283 | L84-W279 HydrophobicContact CD1-CD2 4.32Å; L84-W279 VanDerWaalsContact CD1-CE2 3.49Å; L84-W279 HydrophobicContact CD1-CH2 4.25Å; L84-W279 HydrophobicContact CD1-CZ2 3.47Å; L84-W279 VanDerWaalsContact CD1-CZ2 3.47Å; L84-W279 HydrophobicContact CD2-CD2 4.07Å; L84-W279 HydrophobicContact CD2-CE3 4.11Å; L84-W279 HydrophobicContact CD2-CH2 4.02Å; L84-W279 HydrophobicContact CD2-CZ2 3.98Å; L84-W279 HydrophobicContact CD2-CZ3 4.08Å; L84-W279 HydrophobicContact CG-CZ2 4.39Å; T86-W279 HydrophobicContact CG2-CZ2 3.84Å; P113-W279 HydrophobicContact CG-CB 3.84Å; P113-W279 HydrophobicContact CG-CG 4.32Å; L116-W279 HydrophobicContact CD2-CE3 3.83Å; L116-W279 HydrophobicContact CD2-CZ3 3.76Å; I124-W279 HydrophobicContact CB-CH2 4.18Å; I124-W279 HydrophobicContact CB-CZ3 3.99Å; I124-W279 HydrophobicContact CD1-CZ3 3.92Å; I124-W279 HydrophobicContact CG2-CH2 3.82Å; I124-W279 HydrophobicContact CG2-CZ3 3.69Å; F129-W279 HydrophobicContact CB-CZ2 4.48Å; F129-W279 AromaticContact CD2-CE2 3.98Å; F129-W279 HydrophobicContact CD2-CZ2 4.42Å; F129-W279 AromaticContact CD2-NE1 3.73Å; F129-W279 AromaticContact CE2-NE1 3.88Å; R275-W279 PolarHBondContact O-N 3Å; R275-W279 VanDerWaalsContact O-N 3.08Å; A276-W279 PolarHBondContact O-N 2.82Å; Q277-W279 PolarHBondContact O-N 3.07Å; W279-L282 HydrophobicContact CD2-CD1 4.25Å; W279-L282 HydrophobicContact CE3-CD1 3.84Å; W279-L282 HydrophobicContact CZ3-CD1 4.13Å; W279-L282 WeakPolarHBondContact O-CB 3.31Å; W279-L282 PolarHBondContact O-N 3.22Å; W279-V283 WeakPolarHBondContact O-CG2 3.48Å; W279-V283 PolarHBondContact O-N 3.32Å; W279-V283 VanDerWaalsContact O-N 3.11Å |
| 280 | Q | 98.3 | Very high | 98.2 | Very high | 132 Ų | 132 | 52.3 Ų | 52.3 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 174 | -71.4 | 172.4 | -4.4 | 0 | 0 | 111.7 | A276 Q277 L282 V283 A284 | A276-Q280 WeakPolarHBondContact O-CG 3.37Å; A276-Q280 PolarHBondContact O-N 2.99Å; Q277-Q280 PolarHBondContact O-N 3.35Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; Q280-L282 PolarHBondContact O-N 3.32Å; Q280-V283 PolarHBondContact O-N 2.82Å; Q280-A284 PolarHBondContact O-N 2.84Å; Q280-A284 VanDerWaalsContact O-N 3.14Å |
| 281 | R | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 52.6 Ų | 52.6 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.4 | -72.2 | -69.1 | -58.7 | -80.2 | 0.4 | 112 | M132 E139 Q277 A278 V283 A284 D285 | M132-R281 HydrophobicContact CE-CB 3.78Å; M132-R281 HydrophobicContact CE-CG 4.24Å; M132-R281 HydrophobicContact CG-CB 3.93Å; M132-R281 HydrophobicContact SD-CB 3.6Å; M132-R281 VanDerWaalsContact SD-CB 3.6Å; E139-R281 IonicContact OE1-CZ 2.76Å; E139-R281 IonicContact OE1-NH1 3.33Å; E139-R281 PolarHBondContact OE1-NH1 3.33Å; E139-R281 IonicContact OE1-NH2 2.71Å; E139-R281 PolarHBondContact OE1-NH2 2.91Å; E139-R281 IonicContact OE2-CZ 2.73Å; E139-R281 IonicContact OE2-NH1 3.23Å; E139-R281 PolarHBondContact OE2-NH1 2.9Å; E139-R281 IonicContact OE2-NH2 3.45Å; Q277-R281 WeakPolarHBondContact O-CG 3.36Å; Q277-R281 PolarHBondContact O-N 3.05Å; A278-R281 PolarHBondContact O-N 3.07Å; R281-V283 VanDerWaalsContact C-N 3.33Å; R281-V283 PolarHBondContact O-N 3.01Å; R281-A284 PolarHBondContact O-N 3.35Å; R281-A284 VanDerWaalsContact O-N 3.14Å; R281-D285 IonicContact CZ-OD2 3.16Å; R281-D285 VanDerWaalsContact CZ-OD2 3.25Å; R281-D285 IonicContact NE-OD2 3.54Å; R281-D285 PolarHBondContact NE-OD2 2.79Å; R281-D285 IonicContact NH2-OD2 2.79Å; R281-D285 PolarHBondContact NH2-OD2 3.16Å; R281-D285 VanDerWaalsContact O-CB 3.31Å; R281-D285 WeakPolarHBondContact O-CB 3.19Å; R281-D285 PolarHBondContact O-N 2.57Å |
| 282 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 175.5 | -80.2 | 160.7 | 0 | 0 | 0 | 112.7 | I124 F129 M132 T162 L166 A278 W279 Q280 A284 L286 | I124-L282 HydrophobicContact CD1-CB 4.24Å; I124-L282 HydrophobicContact CD1-CD2 4.47Å; I124-L282 HydrophobicContact CG2-CD1 3.62Å; I124-L282 HydrophobicContact CG2-CD2 3.93Å; I124-L282 HydrophobicContact CG2-CG 4.34Å; F129-L282 HydrophobicContact CB-CD1 4.49Å; F129-L282 HydrophobicContact CD2-CD1 4.46Å; M132-L282 HydrophobicContact CB-CD1 4.17Å; M132-L282 HydrophobicContact CB-CD2 3.95Å; M132-L282 HydrophobicContact CB-CG 3.8Å; M132-L282 HydrophobicContact CG-CD2 4.45Å; M132-L282 HydrophobicContact CG-CG 3.95Å; M132-L282 HydrophobicContact SD-CG 4.46Å; T162-L282 HydrophobicContact CG2-CD2 4.48Å; L166-L282 HydrophobicContact CD1-CD2 4.31Å; A278-L282 WeakPolarHBondContact O-CB 3.44Å; A278-L282 WeakPolarHBondContact O-CD1 3.4Å; A278-L282 WeakPolarHBondContact O-CG 3.38Å; A278-L282 PolarHBondContact O-N 3.02Å; W279-L282 HydrophobicContact CD2-CD1 4.25Å; W279-L282 HydrophobicContact CE3-CD1 3.84Å; W279-L282 HydrophobicContact CZ3-CD1 4.13Å; W279-L282 WeakPolarHBondContact O-CB 3.31Å; W279-L282 PolarHBondContact O-N 3.22Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; Q280-L282 PolarHBondContact O-N 3.32Å; L282-A284 VanDerWaalsContact C-N 3.31Å; L282-A284 PolarHBondContact O-N 3.49Å; L282-L286 HydrophobicContact CD2-CD1 3.71Å; L282-L286 WeakPolarHBondContact O-CB 3.35Å; L282-L286 PolarHBondContact O-N 3.25Å |
| 283 | V | 98.3 | Very high | 98.1 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 29% | 0.291 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | P113 Q114 L116 W279 Q280 R281 | P113-V283 HydrophobicContact CB-CG2 3.94Å; Q114-V283 WeakPolarHBondContact O-CG1 3.45Å; L116-V283 HydrophobicContact CB-CG2 4.06Å; L116-V283 HydrophobicContact CD1-CG2 4.48Å; L116-V283 HydrophobicContact CD2-CG2 4.47Å; W279-V283 WeakPolarHBondContact O-CG2 3.48Å; W279-V283 PolarHBondContact O-N 3.32Å; W279-V283 VanDerWaalsContact O-N 3.11Å; Q280-V283 PolarHBondContact O-N 2.82Å; R281-V283 VanDerWaalsContact C-N 3.33Å; R281-V283 PolarHBondContact O-N 3.01Å |
| 284 | A | 98.1 | Very high | 98 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 57% | 0.57 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -78.6 | -40.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q280 R281 L282 | Q280-A284 PolarHBondContact O-N 2.84Å; Q280-A284 VanDerWaalsContact O-N 3.14Å; R281-A284 PolarHBondContact O-N 3.35Å; R281-A284 VanDerWaalsContact O-N 3.14Å; L282-A284 VanDerWaalsContact C-N 3.31Å; L282-A284 PolarHBondContact O-N 3.49Å |
| 285 | D | 98.5 | Very high | 98 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 14% | 0.139 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -106.6 | -6.2 | -164 | -63.4 | -23.1 | 0 | 0 | 0 | 113.4 | L166 K169 R281 | L166-D285 HydrophobicContact CD2-CB 3.9Å; K169-D285 WeakPolarHBondContact CB-O 3.43Å; K169-D285 WeakPolarHBondContact CG-O 3.46Å; R281-D285 IonicContact CZ-OD2 3.16Å; R281-D285 VanDerWaalsContact CZ-OD2 3.25Å; R281-D285 IonicContact NE-OD2 3.54Å; R281-D285 PolarHBondContact NE-OD2 2.79Å; R281-D285 IonicContact NH2-OD2 2.79Å; R281-D285 PolarHBondContact NH2-OD2 3.16Å; R281-D285 VanDerWaalsContact O-CB 3.31Å; R281-D285 WeakPolarHBondContact O-CB 3.19Å; R281-D285 PolarHBondContact O-N 2.57Å |
| 286 | L | 98.1 | Very high | 98 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -96.4 | 118.6 | 178.9 | -151.1 | 157.8 | 0 | 0 | 0 | 109.6 | I124 T162 L166 L282 F290 Y291 | I124-L286 HydrophobicContact CD1-CD1 4.44Å; I124-L286 HydrophobicContact CG1-CD1 4.07Å; T162-L286 HydrophobicContact CG2-CD1 3.65Å; L166-L286 HydrophobicContact CD2-CB 4.13Å; L166-L286 HydrophobicContact CD2-CG 4.32Å; L282-L286 HydrophobicContact CD2-CD1 3.71Å; L282-L286 WeakPolarHBondContact O-CB 3.35Å; L282-L286 PolarHBondContact O-N 3.25Å; L286-F290 HydrophobicContact CD1-CD1 4.16Å; L286-F290 HydrophobicContact CD1-CE1 4.12Å; L286-F290 HydrophobicContact CD2-CB 3.38Å; L286-F290 HydrophobicContact CD2-CD1 3.16Å; L286-F290 HydrophobicContact CD2-CD2 4.34Å; L286-F290 HydrophobicContact CD2-CE1 3.96Å; L286-F290 HydrophobicContact CD2-CG 3.39Å; L286-F290 HydrophobicContact CG-CD1 4.17Å; L286-F290 HydrophobicContact CG-CG 4.39Å; L286-Y291 HydrophobicContact CD2-CE1 4.09Å; L286-Y291 HydrophobicContact CD2-CE2 4.2Å |
| 287 | P | 97.5 | Very high | 98 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 25% | 0.253 | 27% | 0.273 | S | S | . | . | trans | -72.5 | 145.7 | -174.1 | 29.2 | -34.6 | 0 | 0 | 0 | 112.3 | S289 F290 | P287-S289 PolarHBondContact O-N 3.23Å; P287-S289 VanDerWaalsContact O-N 3.09Å; P287-F290 HydrophobicContact CG-CB 4.25Å; P287-F290 VanDerWaalsContact O-CB 3.23Å; P287-F290 WeakPolarHBondContact O-CB 3.35Å; P287-F290 PolarHBondContact O-N 3.38Å | ||
| 288 | E | 97.3 | Very high | 98 | Very high | 115 Ų | 115 | 47 Ų | 47 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55 | -34 | -179.3 | -172.7 | 61.2 | -161.9 | 0 | 0 | 113.4 | K120 F290 Y291 | K120-E288 VanDerWaalsContact CE-OE1 3.31Å; K120-E288 WeakPolarHBondContact CE-OE1 3.46Å; K120-E288 IonicContact NZ-OE1 3.23Å; K120-E288 PolarHBondContact NZ-OE1 2.72Å; K120-E288 IonicContact NZ-OE2 3.59Å; K120-E288 PolarHBondContact NZ-OE2 2.97Å; E288-F290 PolarHBondContact O-N 2.96Å; E288-Y291 WeakPolarHBondContact O-CD2 3.28Å; E288-Y291 PolarHBondContact O-N 3.27Å |
| 289 | S | 97.5 | Very high | 98 | Very high | 60 Ų | 60 | 49 Ų | 49 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -30.6 | 177.7 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | P287 Y291 T292 Q293 | P287-S289 PolarHBondContact O-N 3.23Å; P287-S289 VanDerWaalsContact O-N 3.09Å; S289-Y291 VanDerWaalsContact C-N 3.33Å; S289-Y291 PolarHBondContact O-N 3.12Å; S289-T292 PolarHBondContact O-N 3.2Å; S289-Q293 VanDerWaalsContact O-CG 3.27Å; S289-Q293 WeakPolarHBondContact O-CG 3.4Å; S289-Q293 PolarHBondContact O-N 3.02Å |
| 290 | F | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | -178.6 | 174.3 | -94.1 | 0 | 0 | 0 | 112.3 | I123 T162 A165 L190 L286 P287 E288 T292 Q293 A294 | I123-F290 HydrophobicContact CG2-CD1 4.47Å; I123-F290 HydrophobicContact CG2-CE1 4.1Å; T162-F290 HydrophobicContact CG2-CZ 4.16Å; T162-F290 WeakPolarHBondContact OG1-CZ 3.38Å; A165-F290 HydrophobicContact CB-CD2 3.66Å; A165-F290 HydrophobicContact CB-CE2 4.15Å; A165-F290 HydrophobicContact CB-CG 4.49Å; L190-F290 HydrophobicContact CD2-CD2 3.85Å; L190-F290 HydrophobicContact CD2-CE2 4.32Å; L286-F290 HydrophobicContact CD1-CD1 4.16Å; L286-F290 HydrophobicContact CD1-CE1 4.12Å; L286-F290 HydrophobicContact CD2-CB 3.38Å; L286-F290 HydrophobicContact CD2-CD1 3.16Å; L286-F290 HydrophobicContact CD2-CD2 4.34Å; L286-F290 HydrophobicContact CD2-CE1 3.96Å; L286-F290 HydrophobicContact CD2-CG 3.39Å; L286-F290 HydrophobicContact CG-CD1 4.17Å; L286-F290 HydrophobicContact CG-CG 4.39Å; P287-F290 HydrophobicContact CG-CB 4.25Å; P287-F290 VanDerWaalsContact O-CB 3.23Å; P287-F290 WeakPolarHBondContact O-CB 3.35Å; P287-F290 PolarHBondContact O-N 3.38Å; E288-F290 PolarHBondContact O-N 2.96Å; F290-T292 PolarHBondContact O-N 3.41Å; F290-T292 VanDerWaalsContact O-N 3.12Å; F290-Q293 PolarHBondContact O-N 3.01Å; F290-Q293 VanDerWaalsContact O-N 3.12Å; F290-A294 HydrophobicContact CD1-CB 4.22Å; F290-A294 HydrophobicContact CD2-CB 3.93Å; F290-A294 HydrophobicContact CE1-CB 3.92Å; F290-A294 HydrophobicContact CE2-CB 3.57Å; F290-A294 HydrophobicContact CG-CB 4.24Å; F290-A294 HydrophobicContact CZ-CB 3.58Å; F290-A294 WeakPolarHBondContact O-CB 3.45Å; F290-A294 PolarHBondContact O-N 2.83Å |
| 291 | Y | 98 | Very high | 97.9 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -24 | -177.2 | -57.5 | -69.7 | 0 | 0 | 0 | 112.5 | K120 I123 I124 L286 E288 S289 A295 | K120-Y291 HydrophobicContact CB-CD1 3.96Å; K120-Y291 HydrophobicContact CB-CE1 3.78Å; K120-Y291 HydrophobicContact CD-CD1 4.36Å; K120-Y291 HydrophobicContact CD-CD2 3.99Å; K120-Y291 HydrophobicContact CD-CE1 4.29Å; K120-Y291 HydrophobicContact CD-CE2 3.93Å; K120-Y291 HydrophobicContact CD-CG 4.22Å; K120-Y291 HydrophobicContact CG-CD1 3.84Å; K120-Y291 HydrophobicContact CG-CD2 4.27Å; K120-Y291 HydrophobicContact CG-CE1 4.02Å; K120-Y291 HydrophobicContact CG-CE2 4.45Å; K120-Y291 HydrophobicContact CG-CG 3.97Å; I123-Y291 HydrophobicContact CB-CD1 4.21Å; I123-Y291 HydrophobicContact CD1-CD1 4.33Å; I123-Y291 HydrophobicContact CG2-CD1 4.02Å; I124-Y291 HydrophobicContact CD1-CE1 4.03Å; I124-Y291 HydrophobicContact CG1-CE1 3.99Å; L286-Y291 HydrophobicContact CD2-CE1 4.09Å; L286-Y291 HydrophobicContact CD2-CE2 4.2Å; E288-Y291 WeakPolarHBondContact O-CD2 3.28Å; E288-Y291 PolarHBondContact O-N 3.27Å; S289-Y291 VanDerWaalsContact C-N 3.33Å; S289-Y291 PolarHBondContact O-N 3.12Å; Y291-A295 VanDerWaalsContact O-CB 3.28Å; Y291-A295 WeakPolarHBondContact O-CB 3.43Å |
| 292 | T | 96.2 | Very high | 97.9 | Very high | 121 Ų | 121 | 48.8 Ų | 48.8 | 74% | 0.742 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -89.6 | -40.3 | 173.8 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | S289 F290 | S289-T292 PolarHBondContact O-N 3.2Å; F290-T292 PolarHBondContact O-N 3.41Å; F290-T292 VanDerWaalsContact O-N 3.12Å |
| 293 | Q | 96.9 | Very high | 97.8 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.7 | -41 | -177.1 | -72.2 | 169.3 | -28.6 | 0 | 0 | 113.3 | S189 L190 S289 F290 | S189-Q293 PolarHBondContact O-NE2 2.88Å; L190-Q293 HydrophobicContact CD2-CB 4.24Å; S289-Q293 VanDerWaalsContact O-CG 3.27Å; S289-Q293 WeakPolarHBondContact O-CG 3.4Å; S289-Q293 PolarHBondContact O-N 3.02Å; F290-Q293 PolarHBondContact O-N 3.01Å; F290-Q293 VanDerWaalsContact O-N 3.12Å |
| 294 | A | 97.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -92.7 | -22.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F290 G317 R318 | F290-A294 HydrophobicContact CD1-CB 4.22Å; F290-A294 HydrophobicContact CD2-CB 3.93Å; F290-A294 HydrophobicContact CE1-CB 3.92Å; F290-A294 HydrophobicContact CE2-CB 3.57Å; F290-A294 HydrophobicContact CG-CB 4.24Å; F290-A294 HydrophobicContact CZ-CB 3.58Å; F290-A294 WeakPolarHBondContact O-CB 3.45Å; F290-A294 PolarHBondContact O-N 2.83Å; A294-G317 CarbonylContact O-C 3.56Å; A294-G317 WeakPolarHBondContact O-CA 3.5Å; A294-R318 PolarHBondContact O-N 3.39Å |
| 295 | A | 97.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I123 Y291 R318 | I123-A295 HydrophobicContact CD1-CB 3.72Å; I123-A295 HydrophobicContact CG1-CB 3.77Å; I123-A295 HydrophobicContact CG2-CB 4.08Å; Y291-A295 VanDerWaalsContact O-CB 3.28Å; Y291-A295 WeakPolarHBondContact O-CB 3.43Å; A295-R318 CarbonylContact C-O 3.43Å; A295-R318 WeakPolarHBondContact CA-O 3.39Å |
| 296 | K | 98.1 | Very high | 97.8 | Very high | 114 Ų | 114 | 50.1 Ų | 50.1 | 50% | 0.496 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 107.3 | 163.6 | 179.7 | 60.3 | 177.6 | 177 | 0 | 108.7 | I298 F306 R318 T319 L320 | K296-I298 HydrophobicContact CG-CG2 4.35Å; K296-F306 HydrophobicContact CG-CE1 3.79Å; K296-F306 HydrophobicContact CG-CZ 4.17Å; K296-R318 PolarHBondContact N-O 2.78Å; K296-T319 WeakPolarHBondContact O-CA 3.42Å; K296-L320 PolarHBondContact O-N 2.75Å |
| 297 | E | 98.4 | Very high | 97.8 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.9 | 178.6 | -168.1 | 169.4 | 135.2 | 0 | 0 | 111.1 | W36 R119 L320 | W36-E297 HydrophobicContact CH2-CG 4.39Å; W36-E297 HydrophobicContact CZ3-CG 3.94Å; R119-E297 IonicContact CZ-OE2 3.6Å; R119-E297 IonicContact NE-OE2 2.8Å; R119-E297 PolarHBondContact NE-OE2 3.12Å; R119-E297 VanDerWaalsContact NE-OE2 3.17Å; R119-E297 IonicContact NH2-OE2 3.77Å; R119-E297 PolarHBondContact NH2-OE2 3.38Å; E297-L320 CarbonylContact C-O 3.55Å; E297-L320 WeakPolarHBondContact CA-O 3.45Å; E297-L320 HydrophobicContact CB-CD2 4.44Å; E297-L320 HydrophobicContact CG-CD2 4.25Å |
| 298 | I | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162.9 | 179.5 | 72.2 | 166.5 | 0 | 0 | 0 | 110.2 | L39 K296 E302 A303 F306 T319 L320 V321 K322 | L39-I298 HydrophobicContact CD1-CD1 4.04Å; K296-I298 HydrophobicContact CG-CG2 4.35Å; I298-E302 WeakPolarHBondContact CA-OE2 3.49Å; I298-E302 HydrophobicContact CB-CB 4.02Å; I298-E302 HydrophobicContact CD1-CB 4.19Å; I298-A303 HydrophobicContact CD1-CB 4.49Å; I298-F306 HydrophobicContact CB-CD2 4.45Å; I298-F306 HydrophobicContact CB-CE2 4.36Å; I298-F306 HydrophobicContact CD1-CB 3.84Å; I298-F306 HydrophobicContact CD1-CD1 4.46Å; I298-F306 HydrophobicContact CD1-CD2 3.88Å; I298-F306 HydrophobicContact CD1-CG 3.79Å; I298-F306 HydrophobicContact CG2-CD1 4.05Å; I298-F306 HydrophobicContact CG2-CD2 3.81Å; I298-F306 HydrophobicContact CG2-CE1 3.73Å; I298-F306 HydrophobicContact CG2-CE2 3.46Å; I298-F306 VanDerWaalsContact CG2-CE2 3.46Å; I298-F306 HydrophobicContact CG2-CG 4.09Å; I298-F306 HydrophobicContact CG2-CZ 3.41Å; I298-F306 VanDerWaalsContact CG2-CZ 3.41Å; I298-T319 HydrophobicContact CD1-CG2 3.55Å; I298-T319 HydrophobicContact CG1-CG2 3.89Å; I298-T319 HydrophobicContact CG2-CG2 4.17Å; I298-L320 PolarHBondContact N-O 2.67Å; I298-V321 HydrophobicContact CD1-CG2 4.06Å; I298-V321 HydrophobicContact CG1-CB 4.46Å; I298-V321 HydrophobicContact CG1-CG2 3.93Å; I298-V321 WeakPolarHBondContact O-CA 3.14Å; I298-K322 PolarHBondContact O-N 3.16Å |
| 299 | S | 98.3 | Very high | 97.8 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 166.7 | 169.8 | 77.3 | 0 | 0 | 0 | 0 | 112.6 | S301 E302 | S299-S301 PolarHBondContact O-N 3.07Å; S299-S301 PolarHBondContact OG-N 3.32Å; S299-S301 PolarHBondContact OG-OG 3.12Å; S299-E302 PolarHBondContact N-OE2 3.33Å; S299-E302 PolarHBondContact O-N 3.04Å; S299-E302 VanDerWaalsContact O-N 3.1Å; S299-E302 PolarHBondContact OG-OE2 2.71Å |
| 300 | L | 98 | Very high | 97.8 | Very high | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -56.8 | -35.6 | 174.4 | -173.1 | 62.8 | 0 | 0 | 0 | 113.1 | L4 V17 L98 E302 A303 V321 | L4-L300 HydrophobicContact CB-CD1 3.92Å; L4-L300 HydrophobicContact CB-CG 4.42Å; V17-L300 HydrophobicContact CG1-CD2 4.11Å; V17-L300 HydrophobicContact CG2-CD2 4.4Å; V17-L300 HydrophobicContact CG2-CG 4Å; L98-L300 HydrophobicContact CB-CD1 3.81Å; L98-L300 HydrophobicContact CD2-CD1 4.02Å; L98-L300 WeakPolarHBondContact O-CD1 3.43Å; L300-E302 VanDerWaalsContact C-N 3.29Å; L300-E302 PolarHBondContact O-N 3.38Å; L300-A303 WeakPolarHBondContact O-CB 3.47Å; L300-A303 PolarHBondContact O-N 2.94Å; L300-V321 HydrophobicContact CD1-CG1 4.44Å |
| 301 | S | 97.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 57% | 0.573 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -72.2 | -20.8 | 179.1 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | S299 A303 | S299-S301 PolarHBondContact O-N 3.07Å; S299-S301 PolarHBondContact OG-N 3.32Å; S299-S301 PolarHBondContact OG-OG 3.12Å; S301-A303 VanDerWaalsContact C-N 3.34Å |
| 302 | E | 98.1 | Very high | 97.6 | Very high | 82 Ų | 82 | 51.9 Ų | 51.9 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -83.5 | -13 | 176.8 | -67.9 | 177.1 | 105.5 | 0 | 0 | 112.5 | I298 S299 L300 N305 F306 | I298-E302 WeakPolarHBondContact CA-OE2 3.49Å; I298-E302 HydrophobicContact CB-CB 4.02Å; I298-E302 HydrophobicContact CD1-CB 4.19Å; S299-E302 PolarHBondContact N-OE2 3.33Å; S299-E302 PolarHBondContact O-N 3.04Å; S299-E302 VanDerWaalsContact O-N 3.1Å; S299-E302 PolarHBondContact OG-OE2 2.71Å; L300-E302 VanDerWaalsContact C-N 3.29Å; L300-E302 PolarHBondContact O-N 3.38Å; E302-N305 PolarHBondContact O-N 3.21Å; E302-N305 VanDerWaalsContact O-N 3.16Å; E302-F306 HydrophobicContact CB-CD2 4.18Å; E302-F306 HydrophobicContact CB-CE2 4.41Å; E302-F306 PolarHBondContact O-N 3.42Å; E302-F306 VanDerWaalsContact O-N 3.1Å |
| 303 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -41.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L4 L39 I298 L300 S301 N305 F306 A307 | L4-A303 HydrophobicContact CD2-CB 4.05Å; L39-A303 HydrophobicContact CD1-CB 4.18Å; L39-A303 HydrophobicContact CD2-CB 4.36Å; I298-A303 HydrophobicContact CD1-CB 4.49Å; L300-A303 WeakPolarHBondContact O-CB 3.47Å; L300-A303 PolarHBondContact O-N 2.94Å; S301-A303 VanDerWaalsContact C-N 3.34Å; A303-N305 PolarHBondContact O-N 3.05Å; A303-F306 PolarHBondContact O-N 2.81Å; A303-A307 WeakPolarHBondContact O-CB 3.45Å; A303-A307 PolarHBondContact O-N 3.42Å |
| 304 | P | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 174.9 | -26.7 | 36.8 | 0 | 0 | 0 | 113.8 | L4 A15 I47 F306 A307 E308 | L4-P304 HydrophobicContact CD1-CG 3.92Å; A15-P304 HydrophobicContact CB-CB 4.41Å; A15-P304 HydrophobicContact CB-CG 4.1Å; I47-P304 HydrophobicContact CG2-CB 4.39Å; P304-F306 VanDerWaalsContact C-N 3.35Å; P304-F306 PolarHBondContact O-N 3.29Å; P304-A307 WeakPolarHBondContact O-CB 3.37Å; P304-A307 PolarHBondContact O-N 3.4Å; P304-E308 PolarHBondContact O-N 2.67Å; P304-E308 VanDerWaalsContact O-N 3.12Å |
| 305 | N | 98 | Very high | 97.3 | Very high | 112 Ų | 112 | 53.9 Ų | 53.9 | 60% | 0.599 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 179.9 | -66.7 | -14.7 | 0 | 0 | 0 | 111.2 | E302 A303 E308 A309 | E302-N305 PolarHBondContact O-N 3.21Å; E302-N305 VanDerWaalsContact O-N 3.16Å; A303-N305 PolarHBondContact O-N 3.05Å; N305-E308 PolarHBondContact O-N 2.9Å; N305-A309 PolarHBondContact O-N 3.26Å; N305-A309 VanDerWaalsContact O-N 3.08Å |
| 306 | F | 98.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 56.3 Ų | 56.3 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.1 | -32.7 | 177 | -88.2 | -99.4 | 0 | 0 | 0 | 112.9 | L39 K296 I298 E302 A303 P304 A309 I310 I315 T319 | L39-F306 HydrophobicContact CD1-CB 3.75Å; K296-F306 HydrophobicContact CG-CE1 3.79Å; K296-F306 HydrophobicContact CG-CZ 4.17Å; I298-F306 HydrophobicContact CB-CD2 4.45Å; I298-F306 HydrophobicContact CB-CE2 4.36Å; I298-F306 HydrophobicContact CD1-CB 3.84Å; I298-F306 HydrophobicContact CD1-CD1 4.46Å; I298-F306 HydrophobicContact CD1-CD2 3.88Å; I298-F306 HydrophobicContact CD1-CG 3.79Å; I298-F306 HydrophobicContact CG2-CD1 4.05Å; I298-F306 HydrophobicContact CG2-CD2 3.81Å; I298-F306 HydrophobicContact CG2-CE1 3.73Å; I298-F306 HydrophobicContact CG2-CE2 3.46Å; I298-F306 VanDerWaalsContact CG2-CE2 3.46Å; I298-F306 HydrophobicContact CG2-CG 4.09Å; I298-F306 HydrophobicContact CG2-CZ 3.41Å; I298-F306 VanDerWaalsContact CG2-CZ 3.41Å; E302-F306 HydrophobicContact CB-CD2 4.18Å; E302-F306 HydrophobicContact CB-CE2 4.41Å; E302-F306 PolarHBondContact O-N 3.42Å; E302-F306 VanDerWaalsContact O-N 3.1Å; A303-F306 PolarHBondContact O-N 2.81Å; P304-F306 VanDerWaalsContact C-N 3.35Å; P304-F306 PolarHBondContact O-N 3.29Å; F306-A309 PolarHBondContact O-N 3.45Å; F306-I310 VanDerWaalsContact O-CG1 3.27Å; F306-I310 WeakPolarHBondContact O-CG1 3.43Å; F306-I310 PolarHBondContact O-N 2.97Å; F306-I315 HydrophobicContact CD1-CD1 3.82Å; F306-I315 HydrophobicContact CD1-CG1 4.34Å; F306-I315 HydrophobicContact CE1-CD1 3.85Å; F306-T319 HydrophobicContact CB-CG2 4.25Å; F306-T319 HydrophobicContact CD1-CG2 3.78Å; F306-T319 HydrophobicContact CE1-CG2 4.48Å; F306-T319 HydrophobicContact CG-CG2 4.19Å |
| 307 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A44 I47 T48 A303 P304 A309 I310 I311 | A44-A307 HydrophobicContact CB-CB 4.13Å; I47-A307 HydrophobicContact CB-CB 3.78Å; I47-A307 HydrophobicContact CD1-CB 4.04Å; I47-A307 HydrophobicContact CG2-CB 3.63Å; T48-A307 HydrophobicContact CG2-CB 4.14Å; A303-A307 WeakPolarHBondContact O-CB 3.45Å; A303-A307 PolarHBondContact O-N 3.42Å; P304-A307 WeakPolarHBondContact O-CB 3.37Å; P304-A307 PolarHBondContact O-N 3.4Å; A307-A309 PolarHBondContact O-N 3.01Å; A307-I310 PolarHBondContact O-N 3.12Å; A307-I311 WeakPolarHBondContact O-CG1 3.15Å; A307-I311 PolarHBondContact O-N 2.91Å; A307-I311 VanDerWaalsContact O-N 3.11Å |
| 308 | E | 97.5 | Very high | 97.2 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 173.7 | -69.7 | -171.9 | 171.6 | 0 | 0 | 112 | T48 P304 N305 I310 I311 N312 | T48-E308 HydrophobicContact CG2-CG 3.97Å; P304-E308 PolarHBondContact O-N 2.67Å; P304-E308 VanDerWaalsContact O-N 3.12Å; N305-E308 PolarHBondContact O-N 2.9Å; E308-I310 VanDerWaalsContact C-N 3.31Å; E308-I310 PolarHBondContact O-N 3.27Å; E308-I311 PolarHBondContact O-N 2.96Å; E308-N312 WeakPolarHBondContact O-CB 3.49Å; E308-N312 VanDerWaalsContact O-CG 3.28Å; E308-N312 PolarHBondContact O-N 3.42Å; E308-N312 PolarHBondContact O-ND2 3.19Å |
| 309 | A | 97.7 | Very high | 97.2 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 12% | 0.116 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N305 F306 A307 N312 N313 Q314 I315 | N305-A309 PolarHBondContact O-N 3.26Å; N305-A309 VanDerWaalsContact O-N 3.08Å; F306-A309 PolarHBondContact O-N 3.45Å; A307-A309 PolarHBondContact O-N 3.01Å; A309-N312 PolarHBondContact O-N 3.16Å; A309-N313 PolarHBondContact O-N 2.87Å; A309-Q314 HydrophobicContact CB-CB 4.23Å; A309-Q314 WeakPolarHBondContact O-CB 3.36Å; A309-Q314 PolarHBondContact O-N 3.35Å; A309-I315 HydrophobicContact CB-CD1 3.7Å; A309-I315 HydrophobicContact CB-CG1 3.64Å |
| 310 | I | 97.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -49.7 | 174.5 | -72.6 | 164.9 | 0 | 0 | 0 | 110.4 | L39 Y41 A44 F306 A307 E308 N312 N313 I315 | L39-I310 HydrophobicContact CB-CD1 3.69Å; L39-I310 HydrophobicContact CD1-CD1 4.38Å; Y41-I310 HydrophobicContact CD2-CG2 4.08Å; A44-I310 HydrophobicContact CB-CB 3.79Å; A44-I310 HydrophobicContact CB-CD1 4.31Å; A44-I310 HydrophobicContact CB-CG2 3.59Å; F306-I310 VanDerWaalsContact O-CG1 3.27Å; F306-I310 WeakPolarHBondContact O-CG1 3.43Å; F306-I310 PolarHBondContact O-N 2.97Å; A307-I310 PolarHBondContact O-N 3.12Å; E308-I310 VanDerWaalsContact C-N 3.31Å; E308-I310 PolarHBondContact O-N 3.27Å; I310-N312 VanDerWaalsContact C-N 3.25Å; I310-N312 PolarHBondContact O-N 3.41Å; I310-N313 PolarHBondContact O-N 3.35Å; I310-I315 HydrophobicContact CG1-CB 4.15Å; I310-I315 HydrophobicContact CG1-CG1 3.97Å |
| 311 | I | 95.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -34 | 179.9 | -63.4 | -54.1 | 0 | 0 | 0 | 111.8 | Y41 A44 L45 T48 K50 A307 E308 N313 | Y41-I311 HydrophobicContact CD2-CD1 4.25Å; Y41-I311 HydrophobicContact CE2-CD1 3.87Å; A44-I311 HydrophobicContact CB-CD1 3.78Å; A44-I311 HydrophobicContact CB-CG1 3.9Å; L45-I311 HydrophobicContact CD2-CD1 3.63Å; L45-I311 HydrophobicContact CG-CD1 3.86Å; T48-I311 HydrophobicContact CG2-CG1 4.31Å; K50-I311 HydrophobicContact CD-CG2 3.76Å; A307-I311 WeakPolarHBondContact O-CG1 3.15Å; A307-I311 PolarHBondContact O-N 2.91Å; A307-I311 VanDerWaalsContact O-N 3.11Å; E308-I311 PolarHBondContact O-N 2.96Å; I311-N313 PolarHBondContact O-N 3Å |
| 312 | N | 95.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 45.1 Ų | 45.1 | 47% | 0.465 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 7.9 | 177.5 | -64.6 | -28.1 | 0 | 0 | 0 | 113.2 | E308 A309 I310 Q314 | E308-N312 WeakPolarHBondContact O-CB 3.49Å; E308-N312 VanDerWaalsContact O-CG 3.28Å; E308-N312 PolarHBondContact O-N 3.42Å; E308-N312 PolarHBondContact O-ND2 3.19Å; A309-N312 PolarHBondContact O-N 3.16Å; I310-N312 VanDerWaalsContact C-N 3.25Å; I310-N312 PolarHBondContact O-N 3.41Å; N312-Q314 VanDerWaalsContact C-N 3.29Å; N312-Q314 HydrophobicContact CB-CG 4.08Å; N312-Q314 PolarHBondContact O-N 3.23Å |
| 313 | N | 94.1 | Very high | 97.2 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 38.5 | 179.8 | -171.6 | 41.9 | 0 | 0 | 0 | 113.3 | R180 A309 I310 I311 | R180-N313 WeakPolarHBondContact CD-O 3.34Å; R180-N313 PolarHBondContact NH1-O 2.92Å; A309-N313 PolarHBondContact O-N 2.87Å; I310-N313 PolarHBondContact O-N 3.35Å; I311-N313 PolarHBondContact O-N 3Å |
| 314 | Q | 95.9 | Very high | 96.6 | Very high | 128 Ų | 128 | 48.5 Ų | 48.5 | 60% | 0.598 | 25% | 0.248 | S | C | * | . | trans | -102.1 | -11.7 | -177.7 | -66.9 | 171.5 | -18.4 | 0 | 0 | 113.2 | R180 A309 N312 | R180-Q314 VanDerWaalsContact NH1-C 3.33Å; R180-Q314 PolarHBondContact NH1-O 3.49Å; A309-Q314 HydrophobicContact CB-CB 4.23Å; A309-Q314 WeakPolarHBondContact O-CB 3.36Å; A309-Q314 PolarHBondContact O-N 3.35Å; N312-Q314 VanDerWaalsContact C-N 3.29Å; N312-Q314 HydrophobicContact CB-CG 4.08Å; N312-Q314 PolarHBondContact O-N 3.23Å | ||
| 315 | I | 95.4 | Very high | 96.5 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | trans | -99.3 | 147.6 | 179.3 | -58.2 | -57.3 | 0 | 0 | 0 | 111.2 | R180 F306 A309 I310 | R180-I315 PolarHBondContact NH1-O 3.29Å; R180-I315 PolarHBondContact NH2-O 2.92Å; F306-I315 HydrophobicContact CD1-CD1 3.82Å; F306-I315 HydrophobicContact CD1-CG1 4.34Å; F306-I315 HydrophobicContact CE1-CD1 3.85Å; A309-I315 HydrophobicContact CB-CD1 3.7Å; A309-I315 HydrophobicContact CB-CG1 3.64Å; I310-I315 HydrophobicContact CG1-CB 4.15Å; I310-I315 HydrophobicContact CG1-CG1 3.97Å | ||
| 316 | Q | 95.3 | Very high | 96.5 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 36% | 0.36 | 23% | 0.233 | S | C | . | . | trans | -120.2 | 152.9 | 166.8 | 70.2 | -177.8 | 43.7 | 0 | 0 | 109.8 | S156 T183 Y186 | S156-Q316 CarbonylContact O-C 3.22Å; S156-Q316 VanDerWaalsContact O-CA 3.28Å; S156-Q316 WeakPolarHBondContact O-CA 3.23Å; T183-Q316 HydrophobicContact CG2-CB 4.46Å; Y186-Q316 HydrophobicContact CD1-CB 4.48Å; Y186-Q316 HydrophobicContact CE1-CB 4.37Å | ||
| 317 | G | 97.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 73.7 | -138.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S156 G158 Y186 A294 | S156-G317 PolarHBondContact O-N 2.96Å; G158-G317 VanDerWaalsContact CA-O 3.22Å; G158-G317 WeakPolarHBondContact CA-O 3.26Å; G158-G317 PolarHBondContact N-O 3.29Å; Y186-G317 WeakPolarHBondContact OH-CA 3.45Å; A294-G317 CarbonylContact O-C 3.56Å; A294-G317 WeakPolarHBondContact O-CA 3.5Å |
| 318 | R | 98.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126 | -170 | -66.3 | -68 | -63 | 143.2 | -0.5 | 110 | S38 N40 D64 I123 I124 A127 G158 A294 A295 K296 | S38-R318 PolarHBondContact OG-NH2 3.36Å; N40-R318 PolarHBondContact OD1-NH1 3.25Å; N40-R318 PolarHBondContact OD1-NH2 3.06Å; D64-R318 IonicContact OD2-NH2 2.68Å; I123-R318 VanDerWaalsContact O-CG 3.26Å; I123-R318 WeakPolarHBondContact O-CG 3.29Å; I123-R318 PolarHBondContact O-NE 3.31Å; I124-R318 PolarHBondContact O-NE 3.26Å; I124-R318 PolarHBondContact O-NH2 2.88Å; I124-R318 VanDerWaalsContact O-NH2 3.07Å; A127-R318 VanDerWaalsContact CB-CZ 3.49Å; G158-R318 VanDerWaalsContact CA-CD 3.43Å; A294-R318 PolarHBondContact O-N 3.39Å; A295-R318 CarbonylContact C-O 3.43Å; A295-R318 WeakPolarHBondContact CA-O 3.39Å; K296-R318 PolarHBondContact N-O 2.78Å |
| 319 | T | 98.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 110.9 | 174.3 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | S38 L39 K296 I298 F306 | S38-T319 VanDerWaalsContact CA-O 3.3Å; S38-T319 WeakPolarHBondContact CA-O 3.47Å; S38-T319 WeakPolarHBondContact CB-O 3.37Å; L39-T319 HydrophobicContact CB-CG2 4.21Å; L39-T319 HydrophobicContact CD1-CG2 4.06Å; L39-T319 HydrophobicContact CG-CG2 4.22Å; L39-T319 PolarHBondContact N-O 3.18Å; K296-T319 WeakPolarHBondContact O-CA 3.42Å; I298-T319 HydrophobicContact CD1-CG2 3.55Å; I298-T319 HydrophobicContact CG1-CG2 3.89Å; I298-T319 HydrophobicContact CG2-CG2 4.17Å; F306-T319 HydrophobicContact CB-CG2 4.25Å; F306-T319 HydrophobicContact CD1-CG2 3.78Å; F306-T319 HydrophobicContact CE1-CG2 4.48Å; F306-T319 HydrophobicContact CG-CG2 4.19Å |
| 320 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.1 | 178.1 | 174.9 | 70.6 | 0 | 0 | 0 | 108.8 | W36 R119 M122 I123 K296 E297 I298 | W36-L320 HydrophobicContact CB-CD1 4.4Å; W36-L320 HydrophobicContact CD2-CD1 4.3Å; W36-L320 HydrophobicContact CE3-CD1 3.63Å; W36-L320 HydrophobicContact CE3-CD2 3.7Å; W36-L320 HydrophobicContact CE3-CG 3.57Å; W36-L320 HydrophobicContact CH2-CD2 4.29Å; W36-L320 HydrophobicContact CZ3-CD1 4.3Å; W36-L320 HydrophobicContact CZ3-CD2 3.5Å; W36-L320 VanDerWaalsContact CZ3-CD2 3.5Å; W36-L320 HydrophobicContact CZ3-CG 3.74Å; R119-L320 HydrophobicContact CG-CD2 3.73Å; M122-L320 HydrophobicContact CB-CD1 3.55Å; I123-L320 HydrophobicContact CD1-CD2 4.24Å; I123-L320 HydrophobicContact CG1-CB 4.41Å; I123-L320 HydrophobicContact CG1-CD1 4.12Å; I123-L320 HydrophobicContact CG1-CD2 3.88Å; I123-L320 HydrophobicContact CG1-CG 4.37Å; K296-L320 PolarHBondContact O-N 2.75Å; E297-L320 CarbonylContact C-O 3.55Å; E297-L320 WeakPolarHBondContact CA-O 3.45Å; E297-L320 HydrophobicContact CB-CD2 4.44Å; E297-L320 HydrophobicContact CG-CD2 4.25Å; I298-L320 PolarHBondContact N-O 2.67Å |
| 321 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.4 | 178.6 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | W36 S37 L39 L98 I298 L300 V323 | W36-V321 WeakPolarHBondContact CA-O 3.29Å; S37-V321 PolarHBondContact N-O 2.8Å; S37-V321 PolarHBondContact O-N 2.69Å; L39-V321 HydrophobicContact CD2-CG2 4.31Å; L39-V321 HydrophobicContact CG-CG2 3.93Å; L98-V321 HydrophobicContact CD2-CB 4.08Å; L98-V321 HydrophobicContact CD2-CG1 3.91Å; L98-V321 HydrophobicContact CD2-CG2 3.89Å; I298-V321 HydrophobicContact CD1-CG2 4.06Å; I298-V321 HydrophobicContact CG1-CB 4.46Å; I298-V321 HydrophobicContact CG1-CG2 3.93Å; I298-V321 WeakPolarHBondContact O-CA 3.14Å; L300-V321 HydrophobicContact CD1-CG1 4.44Å; V321-V323 HydrophobicContact CG1-CG2 4.35Å |
| 322 | K | 98.5 | Very high | 96 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 117.7 | 166.6 | -170.6 | 173.7 | 176.8 | 179.5 | 0 | 108.6 | W36 I298 N324 | W36-K322 HydrophobicContact CE3-CB 4.01Å; W36-K322 HydrophobicContact CE3-CG 4.34Å; W36-K322 HydrophobicContact CH2-CB 3.99Å; W36-K322 HydrophobicContact CH2-CD 3.95Å; W36-K322 HydrophobicContact CH2-CG 3.88Å; W36-K322 HydrophobicContact CZ2-CG 4.39Å; W36-K322 HydrophobicContact CZ3-CB 3.49Å; W36-K322 VanDerWaalsContact CZ3-CB 3.49Å; W36-K322 HydrophobicContact CZ3-CD 4.34Å; W36-K322 HydrophobicContact CZ3-CG 3.85Å; I298-K322 PolarHBondContact O-N 3.16Å; K322-N324 WeakPolarHBondContact CE-O 3.3Å; K322-N324 WeakPolarHBondContact CE-OXT 3.31Å; K322-N324 WeakPolarHBondContact CG-O 3.46Å |
| 323 | V | 97 | Very high | 96.1 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | trans | -93.7 | -43.5 | -179.7 | -179 | 0 | 0 | 0 | 0 | 110.3 | V34 H35 A99 E100 V321 | V34-V323 HydrophobicContact CG1-CB 4.26Å; V34-V323 HydrophobicContact CG1-CG1 4.41Å; V34-V323 HydrophobicContact CG1-CG2 3.98Å; H35-V323 PolarHBondContact O-N 2.76Å; A99-V323 VanDerWaalsContact C-CG1 3.45Å; A99-V323 WeakPolarHBondContact O-CG1 3.46Å; E100-V323 HydrophobicContact CB-CG1 4.4Å; E100-V323 HydrophobicContact CG-CG1 4.11Å; V321-V323 HydrophobicContact CG1-CG2 4.35Å | ||
| 324 | N | 84.9 | Confident | 96.2 | Very high | 135 Ų | 135 | 45.5 Ų | 45.5 | 72% | 0.722 | 23% | 0.226 | S | C | * | . | trans | -131.3 | 0 | 175.5 | -166 | 8.1 | 0 | 0 | 0 | 110.5 | H35 K322 | H35-N324 PolarHBondContact O-N 2.73Å; K322-N324 WeakPolarHBondContact CE-O 3.3Å; K322-N324 WeakPolarHBondContact CE-OXT 3.31Å; K322-N324 WeakPolarHBondContact CG-O 3.46Å |
Retrieved 324 of 324 residues in 600.8 ms
(Link to these results)