| 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 | 86.6 | Confident | 96.2 | Very high | 241 Ų | 241 | 81.4 Ų | 81.4 | 100% | 1.187 | 45% | 0.449 | S | S | * | . | 0 | 145.7 | 0 | -74.1 | -173 | -101.5 | 0 | 0 | 107.4 | P3 | M1-P3 VanDerWaalsContact O-CD 3.28Å; M1-P3 WeakPolarHBondContact O-CD 3.41Å | |||
| 2 | D | 96.4 | Very high | 96.4 | Very high | 63 Ų | 63 | 81 Ų | 81 | 34% | 0.337 | 45% | 0.445 | S | S | . | . | trans | -106.1 | 90.2 | -179.9 | -177.3 | 25.7 | 0 | 0 | 0 | 109.7 | R14 Q15 S16 | D2-R14 PolarHBondContact O-NH1 2.92Å; D2-R14 WeakPolarHBondContact OD2-CB 3.4Å; D2-R14 WeakPolarHBondContact OD2-CD 3.22Å; D2-Q15 PolarHBondContact OD1-N 2.86Å; D2-S16 VanDerWaalsContact CG-OG 3.3Å; D2-S16 PolarHBondContact OD1-N 3.03Å; D2-S16 PolarHBondContact OD1-OG 3.26Å; D2-S16 VanDerWaalsContact OD2-CB 3.31Å; D2-S16 WeakPolarHBondContact OD2-CB 3.48Å; D2-S16 PolarHBondContact OD2-OG 2.73Å | ||
| 3 | P | 97.7 | Very high | 96.6 | Very high | 71 Ų | 71 | 74.8 Ų | 74.8 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | trans | -71.3 | 155 | -171.2 | 30.4 | -35.6 | 0 | 0 | 0 | 112 | M1 R14 Q15 | M1-P3 VanDerWaalsContact O-CD 3.28Å; M1-P3 WeakPolarHBondContact O-CD 3.41Å; P3-R14 CarbonylContact O-C 3.54Å; P3-R14 VanDerWaalsContact O-CA 3.24Å; P3-R14 WeakPolarHBondContact O-CA 3.41Å; P3-R14 WeakPolarHBondContact O-CB 3.45Å; P3-Q15 HydrophobicContact CG-CB 3.97Å; P3-Q15 PolarHBondContact O-N 3.04Å | ||
| 4 | V | 98.2 | Very high | 96.7 | Very high | 71 Ų | 71 | 76.5 Ų | 76.5 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132 | 168.4 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | L12 | V4-L12 HydrophobicContact CG1-CD1 3.64Å; V4-L12 HydrophobicContact CG1-CG 4.33Å; V4-L12 HydrophobicContact CG2-CD1 4.19Å; V4-L12 HydrophobicContact CG2-CD2 4.31Å; V4-L12 HydrophobicContact CG2-CG 4.4Å |
| 5 | V | 98.3 | Very high | 96.8 | Very high | 40 Ų | 40 | 77.7 Ų | 77.7 | 24% | 0.242 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -42 | 174.2 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | L13 Q15 V18 I206 A210 | V5-L13 PolarHBondContact N-O 3.47Å; V5-Q15 HydrophobicContact CG2-CB 4.06Å; V5-V18 HydrophobicContact CB-CG2 4.1Å; V5-V18 HydrophobicContact CG1-CG2 4.05Å; V5-V18 HydrophobicContact CG2-CG2 4.34Å; V5-I206 HydrophobicContact CG1-CG2 4.01Å; V5-A210 VanDerWaalsContact O-CB 3.23Å; V5-A210 WeakPolarHBondContact O-CB 3.39Å |
| 6 | L | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 76.4 Ų | 76.4 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 135.9 | -177.9 | -179.7 | 64.7 | 0 | 0 | 0 | 110.6 | L12 L13 F34 I206 L209 A210 | L6-L12 CarbonylContact O-C 3.56Å; L6-L12 WeakPolarHBondContact O-CA 3.41Å; L6-L13 HydrophobicContact CB-CB 4.22Å; L6-L13 HydrophobicContact CD2-CD1 4.24Å; L6-L13 PolarHBondContact N-O 2.7Å; L6-L13 VanDerWaalsContact N-O 3.08Å; L6-L13 PolarHBondContact O-N 3.16Å; L6-F34 HydrophobicContact CD2-CD2 4.02Å; L6-F34 HydrophobicContact CD2-CE2 3.46Å; L6-F34 VanDerWaalsContact CD2-CE2 3.46Å; L6-F34 HydrophobicContact CD2-CZ 3.87Å; L6-I206 HydrophobicContact CB-CG2 4.21Å; L6-I206 HydrophobicContact CD2-CG1 4.41Å; L6-I206 HydrophobicContact CD2-CG2 4.14Å; L6-L209 HydrophobicContact CD1-CB 3.9Å; L6-L209 HydrophobicContact CD2-CB 4.29Å; L6-L209 HydrophobicContact CD2-CD1 4.46Å; L6-A210 HydrophobicContact CD1-CB 4.35Å |
| 7 | S | 97.9 | Very high | 97 | Very high | 90 Ų | 90 | 72.5 Ų | 72.5 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 111.9 | 163.6 | -173.5 | 0 | 0 | 0 | 0 | 106.7 | ||
| 8 | Y | 97.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 68.8 Ų | 68.8 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 110.9 | -173.7 | 178.6 | -86.6 | 0 | 0 | 0 | 109.6 | D10 S11 F34 E37 S41 D42 L209 | Y8-D10 PolarHBondContact O-N 2.91Å; Y8-S11 PolarHBondContact N-O 3.11Å; Y8-S11 WeakPolarHBondContact O-CA 3.29Å; Y8-S11 WeakPolarHBondContact O-CB 3.42Å; Y8-S11 PolarHBondContact O-N 3.17Å; Y8-F34 HydrophobicContact CD1-CD2 4.06Å; Y8-F34 AromaticContact CD1-CE2 3.89Å; Y8-F34 HydrophobicContact CD1-CE2 3.89Å; Y8-F34 HydrophobicContact CE1-CE2 4.49Å; Y8-F34 HydrophobicContact CG-CD2 4.42Å; Y8-F34 HydrophobicContact CG-CE2 4Å; Y8-E37 HydrophobicContact CD1-CG 4.11Å; Y8-E37 HydrophobicContact CE1-CB 4.43Å; Y8-E37 HydrophobicContact CE1-CG 4.07Å; Y8-S41 WeakPolarHBondContact OH-CB 3.46Å; Y8-D42 PolarHBondContact OH-OD2 2.87Å; Y8-L209 HydrophobicContact CD2-CD1 4.21Å; Y8-L209 HydrophobicContact CE2-CD1 4.27Å |
| 9 | M | 95.7 | Very high | 97.2 | Very high | 117 Ų | 117 | 67.3 Ų | 67.3 | 58% | 0.576 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | -125 | -170.5 | -53 | -54.9 | -169.5 | 0 | 0 | 110.8 | S11 E37 | M9-S11 VanDerWaalsContact C-N 3.28Å; M9-S11 PolarHBondContact O-N 3.31Å; M9-E37 HydrophobicContact CB-CG 3.65Å; M9-E37 WeakPolarHBondContact CB-OE1 3.23Å; M9-E37 HydrophobicContact CG-CG 4.2Å |
| 10 | D | 94.4 | Very high | 97.3 | Very high | 153 Ų | 153 | 66.2 Ų | 66.2 | 82% | 0.818 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.2 | 178.7 | -66.4 | -33.8 | 0 | 0 | 0 | 113.7 | Y8 | Y8-D10 PolarHBondContact O-N 2.91Š|
| 11 | S | 97.2 | Very high | 97.3 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 11% | 0.112 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.4 | 179.3 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | Y8 M9 F34 | Y8-S11 PolarHBondContact N-O 3.11Å; Y8-S11 WeakPolarHBondContact O-CA 3.29Å; Y8-S11 WeakPolarHBondContact O-CB 3.42Å; Y8-S11 PolarHBondContact O-N 3.17Å; M9-S11 VanDerWaalsContact C-N 3.28Å; M9-S11 PolarHBondContact O-N 3.31Å; S11-F34 VanDerWaalsContact OG-CA 3.31Å; S11-F34 WeakPolarHBondContact OG-CA 3.38Å; S11-F34 PolarHBondContact OG-N 2.68Å |
| 12 | L | 98.2 | Very high | 97.9 | Very high | 77 Ų | 77 | 55 Ų | 55 | 40% | 0.403 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 112.2 | 173.3 | -170.9 | 78 | 0 | 0 | 0 | 109.8 | V4 L6 | V4-L12 HydrophobicContact CG1-CD1 3.64Å; V4-L12 HydrophobicContact CG1-CG 4.33Å; V4-L12 HydrophobicContact CG2-CD1 4.19Å; V4-L12 HydrophobicContact CG2-CD2 4.31Å; V4-L12 HydrophobicContact CG2-CG 4.4Å; L6-L12 CarbonylContact O-C 3.56Å; L6-L12 WeakPolarHBondContact O-CA 3.41Å |
| 13 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.3 | 177.7 | -55.7 | -175.4 | 0 | 0 | 0 | 110.8 | V5 L6 D17 V18 H30 I31 F34 I206 | V5-L13 PolarHBondContact N-O 3.47Å; L6-L13 HydrophobicContact CB-CB 4.22Å; L6-L13 HydrophobicContact CD2-CD1 4.24Å; L6-L13 PolarHBondContact N-O 2.7Å; L6-L13 VanDerWaalsContact N-O 3.08Å; L6-L13 PolarHBondContact O-N 3.16Å; L13-D17 HydrophobicContact CD2-CB 4.35Å; L13-V18 HydrophobicContact CB-CG2 4.09Å; L13-V18 HydrophobicContact CD1-CG2 4.34Å; L13-H30 HydrophobicContact CD2-CB 3.9Å; L13-H30 WeakPolarHBondContact CD2-O 3.42Å; L13-I31 HydrophobicContact CD1-CD1 4.09Å; L13-I31 HydrophobicContact CD2-CD1 4.08Å; L13-F34 HydrophobicContact CD1-CB 4.08Å; L13-F34 HydrophobicContact CD1-CD1 3.89Å; L13-F34 HydrophobicContact CD1-CD2 4.24Å; L13-F34 HydrophobicContact CD1-CE1 4.45Å; L13-F34 HydrophobicContact CD1-CG 3.77Å; L13-F34 HydrophobicContact CD2-CB 3.97Å; L13-F34 HydrophobicContact CG-CB 4.29Å; L13-F34 HydrophobicContact CG-CG 4.38Å; L13-I206 HydrophobicContact CD1-CD1 3.62Å; L13-I206 HydrophobicContact CD1-CG1 3.88Å; L13-I206 HydrophobicContact CD1-CG2 4.2Å |
| 14 | R | 98.7 | Very high | 97.9 | Very high | 99 Ų | 99 | 55.8 Ų | 55.8 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 170.5 | 169.7 | -62.6 | -175 | 173.5 | -80 | -8.1 | 111.7 | D2 P3 S16 D17 V18 | D2-R14 PolarHBondContact O-NH1 2.92Å; D2-R14 WeakPolarHBondContact OD2-CB 3.4Å; D2-R14 WeakPolarHBondContact OD2-CD 3.22Å; P3-R14 CarbonylContact O-C 3.54Å; P3-R14 VanDerWaalsContact O-CA 3.24Å; P3-R14 WeakPolarHBondContact O-CA 3.41Å; P3-R14 WeakPolarHBondContact O-CB 3.45Å; R14-S16 PolarHBondContact O-N 2.8Å; R14-D17 WeakPolarHBondContact CB-OD2 3.34Å; R14-D17 PolarHBondContact N-OD2 3.1Å; R14-D17 PolarHBondContact O-N 3.23Å; R14-D17 VanDerWaalsContact O-N 3.12Å; R14-V18 WeakPolarHBondContact O-CG2 3.34Å; R14-V18 PolarHBondContact O-N 2.71Å; R14-V18 VanDerWaalsContact O-N 3.08Å |
| 15 | Q | 98.5 | Very high | 97.9 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -37.3 | 178.2 | -175.1 | 61.2 | 68 | 0 | 0 | 111.9 | D2 P3 V5 A19 | D2-Q15 PolarHBondContact OD1-N 2.86Å; P3-Q15 HydrophobicContact CG-CB 3.97Å; P3-Q15 PolarHBondContact O-N 3.04Å; V5-Q15 HydrophobicContact CG2-CB 4.06Å; Q15-A19 WeakPolarHBondContact O-CB 3.12Å; Q15-A19 PolarHBondContact O-N 3.08Å; Q15-A19 VanDerWaalsContact O-N 3.08Å |
| 16 | S | 98.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 58 Ų | 58 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.8 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | D2 R14 A19 | D2-S16 VanDerWaalsContact CG-OG 3.3Å; D2-S16 PolarHBondContact OD1-N 3.03Å; D2-S16 PolarHBondContact OD1-OG 3.26Å; D2-S16 VanDerWaalsContact OD2-CB 3.31Å; D2-S16 WeakPolarHBondContact OD2-CB 3.48Å; D2-S16 PolarHBondContact OD2-OG 2.73Å; R14-S16 PolarHBondContact O-N 2.8Å; S16-A19 PolarHBondContact O-N 3.26Å |
| 17 | D | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | 177.4 | -55.6 | -57.8 | 0 | 0 | 0 | 111.1 | L13 R14 A19 L20 N28 H30 I31 | L13-D17 HydrophobicContact CD2-CB 4.35Å; R14-D17 WeakPolarHBondContact CB-OD2 3.34Å; R14-D17 PolarHBondContact N-OD2 3.1Å; R14-D17 PolarHBondContact O-N 3.23Å; R14-D17 VanDerWaalsContact O-N 3.12Å; D17-A19 PolarHBondContact O-N 3.1Å; D17-L20 VanDerWaalsContact O-CB 3.26Å; D17-L20 WeakPolarHBondContact O-CB 3.33Å; D17-L20 PolarHBondContact O-N 3.01Å; D17-N28 PolarHBondContact OD1-ND2 3.07Å; D17-H30 HydrophobicContact CB-CB 4.39Å; D17-H30 IonicContact OD1-CE1 3.78Å; D17-H30 IonicContact OD1-CG 3.77Å; D17-H30 IonicContact OD1-ND1 2.74Å; D17-H30 PolarHBondContact OD1-ND1 3.09Å; D17-H30 IonicContact OD2-ND1 2.69Å; D17-I31 HydrophobicContact CB-CD1 4.22Å; D17-I31 HydrophobicContact CB-CG1 4.43Å |
| 18 | V | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -29.9 | -178 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | V5 L13 R14 L20 L21 K203 I206 | V5-V18 HydrophobicContact CB-CG2 4.1Å; V5-V18 HydrophobicContact CG1-CG2 4.05Å; V5-V18 HydrophobicContact CG2-CG2 4.34Å; L13-V18 HydrophobicContact CB-CG2 4.09Å; L13-V18 HydrophobicContact CD1-CG2 4.34Å; R14-V18 WeakPolarHBondContact O-CG2 3.34Å; R14-V18 PolarHBondContact O-N 2.71Å; R14-V18 VanDerWaalsContact O-N 3.08Å; V18-L20 PolarHBondContact O-N 3.42Å; V18-L21 WeakPolarHBondContact O-CB 3.32Å; V18-L21 PolarHBondContact O-N 2.73Å; V18-K203 HydrophobicContact CG1-CG 4.14Å; V18-I206 HydrophobicContact CG2-CD1 4.43Å; V18-I206 HydrophobicContact CG2-CG2 3.94Å |
| 19 | A | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.3 | -25.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q15 S16 D17 L21 D22 | Q15-A19 WeakPolarHBondContact O-CB 3.12Å; Q15-A19 PolarHBondContact O-N 3.08Å; Q15-A19 VanDerWaalsContact O-N 3.08Å; S16-A19 PolarHBondContact O-N 3.26Å; D17-A19 PolarHBondContact O-N 3.1Å; A19-L21 PolarHBondContact O-N 3.23Å; A19-D22 WeakPolarHBondContact O-CB 3.38Å; A19-D22 PolarHBondContact O-N 3.42Å |
| 20 | L | 98.7 | Very high | 98.1 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.7 | 177.8 | -58 | 176.8 | 0 | 0 | 0 | 113.4 | D17 V18 D22 S25 L27 N28 R199 | D17-L20 VanDerWaalsContact O-CB 3.26Å; D17-L20 WeakPolarHBondContact O-CB 3.33Å; D17-L20 PolarHBondContact O-N 3.01Å; V18-L20 PolarHBondContact O-N 3.42Å; L20-D22 PolarHBondContact O-N 3.23Å; L20-S25 WeakPolarHBondContact O-CB 3.46Å; L20-L27 HydrophobicContact CB-CD2 4.42Å; L20-L27 WeakPolarHBondContact O-CD2 3.35Å; L20-N28 HydrophobicContact CD1-CB 3.79Å; L20-N28 VanDerWaalsContact CD1-CG 3.47Å; L20-R199 PolarHBondContact O-NH1 2.67Å |
| 21 | L | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21 | 171.5 | -73.7 | 164.7 | 0 | 0 | 0 | 112.1 | V18 A19 P23 L27 I31 M165 R199 W202 K203 I206 | V18-L21 WeakPolarHBondContact O-CB 3.32Å; V18-L21 PolarHBondContact O-N 2.73Å; A19-L21 PolarHBondContact O-N 3.23Å; L21-P23 WeakPolarHBondContact O-CD 3.37Å; L21-L27 HydrophobicContact CD2-CD2 4.08Å; L21-I31 HydrophobicContact CD1-CD1 4.23Å; L21-I31 HydrophobicContact CD2-CG2 3.98Å; L21-I31 HydrophobicContact CG-CD1 4.4Å; L21-I31 HydrophobicContact CG-CG2 4.33Å; L21-M165 HydrophobicContact CD2-SD 4.29Å; L21-R199 WeakPolarHBondContact O-CB 3.42Å; L21-R199 WeakPolarHBondContact O-CD 3.46Å; L21-R199 PolarHBondContact O-NH1 2.95Å; L21-R199 VanDerWaalsContact O-NH1 3.14Å; L21-W202 HydrophobicContact CD1-CB 4.32Å; L21-W202 HydrophobicContact CD2-CB 4.08Å; L21-K203 HydrophobicContact CB-CB 4.34Å; L21-K203 HydrophobicContact CB-CD 4.45Å; L21-K203 HydrophobicContact CD1-CB 3.96Å; L21-K203 HydrophobicContact CD1-CG 4.49Å; L21-I206 HydrophobicContact CD1-CD1 3.56Å |
| 22 | D | 98.3 | Very high | 98.4 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -77 | 118.8 | 174.1 | -60.5 | -45.9 | 0 | 0 | 0 | 110.6 | A19 L20 S25 K203 | A19-D22 WeakPolarHBondContact O-CB 3.38Å; A19-D22 PolarHBondContact O-N 3.42Å; L20-D22 PolarHBondContact O-N 3.23Å; D22-S25 WeakPolarHBondContact O-CB 3.28Å; D22-S25 PolarHBondContact O-N 3.44Å; D22-S25 VanDerWaalsContact O-N 3.14Å; D22-S25 PolarHBondContact O-OG 3.37Å; D22-K203 IonicContact OD1-NZ 3.84Å; D22-K203 PolarHBondContact OD1-NZ 2.82Å; D22-K203 IonicContact OD2-NZ 2.8Å; D22-K203 PolarHBondContact OD2-NZ 2.71Å |
| 23 | P | 96 | Very high | 98.4 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 40% | 0.403 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 147.5 | 173.9 | -21.1 | 31.8 | 0 | 0 | 0 | 111.7 | L21 Y161 | L21-P23 WeakPolarHBondContact O-CD 3.37Å; P23-Y161 HydrophobicContact CB-CE2 3.91Å |
| 24 | P | 97.7 | Very high | 98.4 | Very high | 89 Ų | 89 | 45.1 Ų | 45.1 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -95.5 | 34 | 6.8 | 38.5 | -36.2 | 0 | 0 | 0 | 113.7 | Y161 | P24-Y161 HydrophobicContact CB-CD1 3.44Å; P24-Y161 VanDerWaalsContact CB-CD1 3.44Å; P24-Y161 HydrophobicContact CB-CD2 4.44Å; P24-Y161 HydrophobicContact CB-CE1 3.39Å; P24-Y161 HydrophobicContact CB-CE2 4.43Å; P24-Y161 HydrophobicContact CB-CG 3.98Å; P24-Y161 WeakPolarHBondContact O-CB 3.34Å |
| 25 | S | 98.3 | Very high | 98.4 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -73 | 144 | -176 | -53.9 | 0 | 0 | 0 | 0 | 113 | L20 D22 R199 | L20-S25 WeakPolarHBondContact O-CB 3.46Å; D22-S25 WeakPolarHBondContact O-CB 3.28Å; D22-S25 PolarHBondContact O-N 3.44Å; D22-S25 VanDerWaalsContact O-N 3.14Å; D22-S25 PolarHBondContact O-OG 3.37Å; S25-R199 PolarHBondContact O-NH1 3.21Å; S25-R199 PolarHBondContact O-NH2 3.29Å |
| 26 | W | 98.3 | Very high | 98.4 | Very high | 116 Ų | 116 | 36 Ų | 36 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -79.3 | 137.9 | 173.1 | -69.1 | 14 | 0 | 0 | 0 | 109.5 | T101 S160 Y161 | W26-T101 HydrophobicContact CH2-CG2 4.47Å; W26-T101 HydrophobicContact CZ3-CG2 4.28Å; W26-S160 PolarHBondContact NE1-O 3.22Å; W26-Y161 VanDerWaalsContact CD1-CA 3.43Å |
| 27 | L | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 141.2 | 172.4 | -56.8 | -168.3 | 0 | 0 | 0 | 110.5 | L20 L21 I31 I32 W103 M165 I168 | L20-L27 HydrophobicContact CB-CD2 4.42Å; L20-L27 WeakPolarHBondContact O-CD2 3.35Å; L21-L27 HydrophobicContact CD2-CD2 4.08Å; L27-I31 HydrophobicContact CD1-CG2 3.93Å; L27-I31 HydrophobicContact CD2-CG2 4.15Å; L27-I31 HydrophobicContact CG-CG2 4.49Å; L27-I32 HydrophobicContact CB-CG1 4.38Å; L27-W103 PolarHBondContact O-NE1 3.23Å; L27-W103 VanDerWaalsContact O-NE1 3.1Å; L27-M165 HydrophobicContact CD1-CG 3.84Å; L27-M165 HydrophobicContact CD1-SD 3.69Å; L27-M165 HydrophobicContact CG-CG 4.39Å; L27-I168 HydrophobicContact CD1-CD1 3.73Å |
| 28 | N | 98.5 | Very high | 98.4 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | trans | -92.1 | 179.3 | 169.1 | 66.8 | -5.8 | 0 | 0 | 0 | 111.5 | D17 L20 H30 I31 I32 | D17-N28 PolarHBondContact OD1-ND2 3.07Å; L20-N28 HydrophobicContact CD1-CB 3.79Å; L20-N28 VanDerWaalsContact CD1-CG 3.47Å; N28-H30 VanDerWaalsContact C-N 3.35Å; N28-H30 PolarHBondContact ND2-ND1 3.02Å; N28-H30 PolarHBondContact OD1-N 3.2Å; N28-I31 PolarHBondContact OD1-N 2.96Å; N28-I31 VanDerWaalsContact OD1-N 3.15Å; N28-I32 WeakPolarHBondContact O-CG1 3.43Å; N28-I32 PolarHBondContact O-N 3.19Å | ||
| 29 | D | 98.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 36.8 Ų | 36.8 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.6 | -43 | 171.9 | 46.2 | 6.3 | 0 | 0 | 0 | 112.6 | I31 I32 G33 P56 W103 | D29-I31 PolarHBondContact O-N 3.22Å; D29-I32 PolarHBondContact O-N 3.01Å; D29-G33 PolarHBondContact O-N 3.38Å; D29-P56 HydrophobicContact CB-CB 3.74Å; D29-P56 HydrophobicContact CB-CG 4.11Å; D29-W103 HydrophobicContact CB-CH2 4.42Å; D29-W103 HydrophobicContact CB-CZ2 4.46Å |
| 30 | H | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 36.6 Ų | 36.6 | 42% | 0.421 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.4 | -43.8 | -178.6 | -60.6 | 141.7 | 0 | 0 | 0 | 113.4 | L13 D17 N28 F34 | L13-H30 HydrophobicContact CD2-CB 3.9Å; L13-H30 WeakPolarHBondContact CD2-O 3.42Å; D17-H30 HydrophobicContact CB-CB 4.39Å; D17-H30 IonicContact OD1-CE1 3.78Å; D17-H30 IonicContact OD1-CG 3.77Å; D17-H30 IonicContact OD1-ND1 2.74Å; D17-H30 PolarHBondContact OD1-ND1 3.09Å; D17-H30 IonicContact OD2-ND1 2.69Å; N28-H30 VanDerWaalsContact C-N 3.35Å; N28-H30 PolarHBondContact ND2-ND1 3.02Å; N28-H30 PolarHBondContact OD1-N 3.2Å; H30-F34 VanDerWaalsContact O-CB 3.29Å; H30-F34 WeakPolarHBondContact O-CB 3.33Å; H30-F34 PolarHBondContact O-N 2.8Å |
| 31 | I | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 179.1 | -64 | -65.3 | 0 | 0 | 0 | 111.8 | L13 D17 L21 L27 N28 D29 A35 I168 I206 | L13-I31 HydrophobicContact CD1-CD1 4.09Å; L13-I31 HydrophobicContact CD2-CD1 4.08Å; D17-I31 HydrophobicContact CB-CD1 4.22Å; D17-I31 HydrophobicContact CB-CG1 4.43Å; L21-I31 HydrophobicContact CD1-CD1 4.23Å; L21-I31 HydrophobicContact CD2-CG2 3.98Å; L21-I31 HydrophobicContact CG-CD1 4.4Å; L21-I31 HydrophobicContact CG-CG2 4.33Å; L27-I31 HydrophobicContact CD1-CG2 3.93Å; L27-I31 HydrophobicContact CD2-CG2 4.15Å; L27-I31 HydrophobicContact CG-CG2 4.49Å; N28-I31 PolarHBondContact OD1-N 2.96Å; N28-I31 VanDerWaalsContact OD1-N 3.15Å; D29-I31 PolarHBondContact O-N 3.22Å; I31-A35 PolarHBondContact O-N 3.12Å; I31-I168 HydrophobicContact CG2-CD1 4.32Å; I31-I206 HydrophobicContact CD1-CD1 4.31Å |
| 32 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.2 | -43.1 | 178.4 | -62.4 | 170.3 | 0 | 0 | 0 | 110.4 | L27 N28 D29 A35 F36 P56 P89 W103 V167 I168 | L27-I32 HydrophobicContact CB-CG1 4.38Å; N28-I32 WeakPolarHBondContact O-CG1 3.43Å; N28-I32 PolarHBondContact O-N 3.19Å; D29-I32 PolarHBondContact O-N 3.01Å; I32-A35 PolarHBondContact O-N 2.97Å; I32-F36 HydrophobicContact CG2-CD1 4.47Å; I32-F36 HydrophobicContact CG2-CE1 4.43Å; I32-F36 PolarHBondContact O-N 3.37Å; I32-P56 HydrophobicContact CB-CG 3.97Å; I32-P56 HydrophobicContact CG2-CG 3.88Å; I32-P89 HydrophobicContact CG2-CB 3.83Å; I32-P89 HydrophobicContact CG2-CG 4.09Å; I32-W103 HydrophobicContact CD1-CD2 3.53Å; I32-W103 HydrophobicContact CD1-CE3 4.02Å; I32-W103 HydrophobicContact CD1-CG 3.76Å; I32-W103 HydrophobicContact CD1-CZ2 4.13Å; I32-W103 HydrophobicContact CD1-CZ3 4.48Å; I32-V167 HydrophobicContact CG2-CG1 4.27Å; I32-I168 HydrophobicContact CG1-CD1 4.26Å; I32-I168 HydrophobicContact CG1-CG1 4.4Å |
| 33 | G | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D29 A35 F36 E37 | D29-G33 PolarHBondContact O-N 3.38Å; G33-A35 VanDerWaalsContact C-N 3.31Å; G33-A35 PolarHBondContact O-N 2.9Å; G33-F36 PolarHBondContact O-N 3.47Å; G33-F36 VanDerWaalsContact O-N 3.11Å; G33-E37 WeakPolarHBondContact O-CB 3.49Å; G33-E37 PolarHBondContact O-N 3.28Å |
| 34 | F | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.3 | -43.3 | 174.3 | 164.8 | -105.4 | 0 | 0 | 0 | 112.9 | L6 Y8 S11 L13 H30 F36 E37 Y38 W202 I206 L209 | L6-F34 HydrophobicContact CD2-CD2 4.02Å; L6-F34 HydrophobicContact CD2-CE2 3.46Å; L6-F34 VanDerWaalsContact CD2-CE2 3.46Å; L6-F34 HydrophobicContact CD2-CZ 3.87Å; Y8-F34 HydrophobicContact CD1-CD2 4.06Å; Y8-F34 AromaticContact CD1-CE2 3.89Å; Y8-F34 HydrophobicContact CD1-CE2 3.89Å; Y8-F34 HydrophobicContact CE1-CE2 4.49Å; Y8-F34 HydrophobicContact CG-CD2 4.42Å; Y8-F34 HydrophobicContact CG-CE2 4Å; S11-F34 VanDerWaalsContact OG-CA 3.31Å; S11-F34 WeakPolarHBondContact OG-CA 3.38Å; S11-F34 PolarHBondContact OG-N 2.68Å; L13-F34 HydrophobicContact CD1-CB 4.08Å; L13-F34 HydrophobicContact CD1-CD1 3.89Å; L13-F34 HydrophobicContact CD1-CD2 4.24Å; L13-F34 HydrophobicContact CD1-CE1 4.45Å; L13-F34 HydrophobicContact CD1-CG 3.77Å; L13-F34 HydrophobicContact CD2-CB 3.97Å; L13-F34 HydrophobicContact CG-CB 4.29Å; L13-F34 HydrophobicContact CG-CG 4.38Å; H30-F34 VanDerWaalsContact O-CB 3.29Å; H30-F34 WeakPolarHBondContact O-CB 3.33Å; H30-F34 PolarHBondContact O-N 2.8Å; F34-F36 VanDerWaalsContact C-N 3.32Å; F34-F36 PolarHBondContact O-N 3.38Å; F34-E37 WeakPolarHBondContact O-CB 3.13Å; F34-E37 PolarHBondContact O-N 2.89Å; F34-Y38 WeakPolarHBondContact O-CB 3.42Å; F34-Y38 PolarHBondContact O-N 3.15Å; F34-W202 HydrophobicContact CD1-CE3 4.33Å; F34-W202 HydrophobicContact CD1-CZ3 4.24Å; F34-W202 AromaticContact CE1-CE3 3.75Å; F34-W202 HydrophobicContact CE1-CE3 3.75Å; F34-W202 AromaticContact CE1-CZ3 3.7Å; F34-W202 HydrophobicContact CE1-CZ3 3.7Å; F34-W202 HydrophobicContact CZ-CZ3 4.39Å; F34-I206 HydrophobicContact CD1-CD1 4.18Å; F34-I206 HydrophobicContact CD1-CG1 4.07Å; F34-I206 HydrophobicContact CE1-CD1 3.93Å; F34-I206 HydrophobicContact CE1-CG1 3.4Å; F34-I206 VanDerWaalsContact CE1-CG1 3.4Å; F34-I206 HydrophobicContact CZ-CG1 3.83Å; F34-L209 HydrophobicContact CE2-CD1 4.12Å; F34-L209 HydrophobicContact CZ-CD1 3.86Å |
| 35 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | I31 I32 G33 Y38 F39 I168 W202 | I31-A35 PolarHBondContact O-N 3.12Å; I32-A35 PolarHBondContact O-N 2.97Å; G33-A35 VanDerWaalsContact C-N 3.31Å; G33-A35 PolarHBondContact O-N 2.9Å; A35-Y38 PolarHBondContact O-N 2.93Å; A35-F39 WeakPolarHBondContact O-CB 3.44Å; A35-F39 WeakPolarHBondContact O-CD1 3.43Å; A35-F39 VanDerWaalsContact O-CD2 3.3Å; A35-F39 WeakPolarHBondContact O-CD2 3.35Å; A35-F39 WeakPolarHBondContact O-CG 3.42Å; A35-F39 PolarHBondContact O-N 3.27Å; A35-I168 HydrophobicContact CB-CB 4.45Å; A35-I168 HydrophobicContact CB-CD1 3.83Å; A35-I168 HydrophobicContact CB-CG1 3.83Å; A35-I168 HydrophobicContact CB-CG2 3.8Å; A35-W202 HydrophobicContact CB-CE3 4.48Å; A35-W202 HydrophobicContact CB-CH2 3.55Å; A35-W202 HydrophobicContact CB-CZ2 3.87Å; A35-W202 HydrophobicContact CB-CZ3 3.89Å |
| 36 | F | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -37.1 | 177.5 | -86 | 35.3 | 0 | 0 | 0 | 112 | I32 G33 F34 F39 A40 F53 I54 F87 P89 L105 V167 A171 | I32-F36 HydrophobicContact CG2-CD1 4.47Å; I32-F36 HydrophobicContact CG2-CE1 4.43Å; I32-F36 PolarHBondContact O-N 3.37Å; G33-F36 PolarHBondContact O-N 3.47Å; G33-F36 VanDerWaalsContact O-N 3.11Å; F34-F36 VanDerWaalsContact C-N 3.32Å; F34-F36 PolarHBondContact O-N 3.38Å; F36-F39 HydrophobicContact CD1-CD2 4.04Å; F36-F39 HydrophobicContact CD1-CE2 4.18Å; F36-F39 HydrophobicContact CE1-CE2 4.38Å; F36-F39 WeakPolarHBondContact O-CB 3.27Å; F36-F39 PolarHBondContact O-N 2.93Å; F36-A40 PolarHBondContact O-N 3.26Å; F36-F53 HydrophobicContact CB-CB 3.86Å; F36-F53 HydrophobicContact CD2-CB 3.66Å; F36-F53 HydrophobicContact CD2-CD1 4.23Å; F36-F53 HydrophobicContact CD2-CG 4.44Å; F36-F53 HydrophobicContact CE2-CB 4.4Å; F36-F53 HydrophobicContact CE2-CD1 4.35Å; F36-F53 HydrophobicContact CG-CB 3.94Å; F36-F53 HydrophobicContact CG-CD1 4.32Å; F36-I54 VanDerWaalsContact CD2-O 3.27Å; F36-I54 WeakPolarHBondContact CD2-O 3.39Å; F36-F87 HydrophobicContact CE2-CB 3.96Å; F36-F87 HydrophobicContact CZ-CB 4.26Å; F36-P89 HydrophobicContact CE2-CG 4.17Å; F36-L105 HydrophobicContact CZ-CD1 3.92Å; F36-V167 HydrophobicContact CE1-CG1 4.38Å; F36-V167 HydrophobicContact CZ-CG1 4.28Å; F36-A171 HydrophobicContact CE1-CB 3.83Å; F36-A171 HydrophobicContact CZ-CB 3.99Å |
| 37 | E | 98.2 | Very high | 98.3 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.2 | -162.3 | 60.7 | -140.6 | 0 | 0 | 111.4 | Y8 M9 G33 F34 F39 A40 S41 | Y8-E37 HydrophobicContact CD1-CG 4.11Å; Y8-E37 HydrophobicContact CE1-CB 4.43Å; Y8-E37 HydrophobicContact CE1-CG 4.07Å; M9-E37 HydrophobicContact CB-CG 3.65Å; M9-E37 WeakPolarHBondContact CB-OE1 3.23Å; M9-E37 HydrophobicContact CG-CG 4.2Å; G33-E37 WeakPolarHBondContact O-CB 3.49Å; G33-E37 PolarHBondContact O-N 3.28Å; F34-E37 WeakPolarHBondContact O-CB 3.13Å; F34-E37 PolarHBondContact O-N 2.89Å; E37-F39 VanDerWaalsContact C-N 3.31Å; E37-F39 PolarHBondContact O-N 2.98Å; E37-A40 PolarHBondContact O-N 3.12Å; E37-S41 VanDerWaalsContact O-CB 3.28Å; E37-S41 WeakPolarHBondContact O-CB 3.31Å; E37-S41 PolarHBondContact O-N 3.12Å; E37-S41 PolarHBondContact O-OG 3.37Å |
| 38 | Y | 98.7 | Very high | 98.1 | Very high | 42 Ų | 42 | 38 Ų | 38 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -37 | 175.2 | -178.9 | -99.3 | 0 | 0 | 0 | 112 | F34 A35 D42 Q43 W202 L205 L209 | F34-Y38 WeakPolarHBondContact O-CB 3.42Å; F34-Y38 PolarHBondContact O-N 3.15Å; A35-Y38 PolarHBondContact O-N 2.93Å; Y38-D42 HydrophobicContact CD2-CB 3.9Å; Y38-D42 HydrophobicContact CE2-CB 3.61Å; Y38-D42 PolarHBondContact O-N 2.69Å; Y38-Q43 HydrophobicContact CD1-CB 4.18Å; Y38-Q43 HydrophobicContact CE1-CB 3.89Å; Y38-Q43 PolarHBondContact O-N 3.21Å; Y38-W202 AromaticContact CD1-CH2 3.84Å; Y38-W202 HydrophobicContact CD1-CH2 3.84Å; Y38-W202 HydrophobicContact CD1-CZ3 4.02Å; Y38-W202 HydrophobicContact CG-CH2 4.46Å; Y38-W202 HydrophobicContact CG-CZ3 4.31Å; Y38-L205 HydrophobicContact CD1-CD2 3.94Å; Y38-L205 HydrophobicContact CD2-CD2 4.2Å; Y38-L205 HydrophobicContact CE1-CD2 3.65Å; Y38-L205 HydrophobicContact CE2-CD1 4.04Å; Y38-L205 HydrophobicContact CE2-CD2 3.93Å; Y38-L205 HydrophobicContact CE2-CG 4.44Å; Y38-L205 HydrophobicContact CG-CD2 4.2Å; Y38-L209 HydrophobicContact CD2-CD1 4.06Å; Y38-L209 HydrophobicContact CE2-CD1 4.13Å |
| 39 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -61.4 | -45.7 | 172.8 | -68.2 | -20.7 | 0 | 0 | 0 | 112.3 | A35 F36 E37 Q43 F44 F53 I168 A171 E172 W202 | A35-F39 WeakPolarHBondContact O-CB 3.44Å; A35-F39 WeakPolarHBondContact O-CD1 3.43Å; A35-F39 VanDerWaalsContact O-CD2 3.3Å; A35-F39 WeakPolarHBondContact O-CD2 3.35Å; A35-F39 WeakPolarHBondContact O-CG 3.42Å; A35-F39 PolarHBondContact O-N 3.27Å; F36-F39 HydrophobicContact CD1-CD2 4.04Å; F36-F39 HydrophobicContact CD1-CE2 4.18Å; F36-F39 HydrophobicContact CE1-CE2 4.38Å; F36-F39 WeakPolarHBondContact O-CB 3.27Å; F36-F39 PolarHBondContact O-N 2.93Å; E37-F39 VanDerWaalsContact C-N 3.31Å; E37-F39 PolarHBondContact O-N 2.98Å; F39-Q43 HydrophobicContact CD1-CB 4.24Å; F39-Q43 HydrophobicContact CD1-CG 4.47Å; F39-Q43 VanDerWaalsContact CE1-OE1 3.26Å; F39-F44 HydrophobicContact CB-CD2 3.79Å; F39-F44 HydrophobicContact CB-CE2 4.13Å; F39-F44 HydrophobicContact CD1-CD2 4.23Å; F39-F44 AromaticContact CD1-CE2 3.81Å; F39-F44 HydrophobicContact CD1-CE2 3.81Å; F39-F44 HydrophobicContact CE1-CE2 4.41Å; F39-F44 HydrophobicContact CG-CD2 4.14Å; F39-F44 AromaticContact CG-CE2 3.95Å; F39-F44 HydrophobicContact CG-CE2 3.95Å; F39-F44 WeakPolarHBondContact O-CA 3.44Å; F39-F44 WeakPolarHBondContact O-CB 3.08Å; F39-F44 PolarHBondContact O-N 3.42Å; F39-F53 HydrophobicContact CB-CD1 4.2Å; F39-F53 HydrophobicContact CB-CD2 3.92Å; F39-F53 HydrophobicContact CB-CE1 4.02Å; F39-F53 HydrophobicContact CB-CE2 3.73Å; F39-F53 HydrophobicContact CB-CG 4.16Å; F39-F53 HydrophobicContact CB-CZ 3.78Å; F39-F53 HydrophobicContact CD2-CD1 4.06Å; F39-F53 AromaticContact CD2-CE1 3.88Å; F39-F53 HydrophobicContact CD2-CE1 3.88Å; F39-F53 HydrophobicContact CD2-CZ 4.38Å; F39-F53 HydrophobicContact CG-CE1 4.33Å; F39-F53 HydrophobicContact CG-CZ 4.4Å; F39-I168 HydrophobicContact CE2-CG2 4.22Å; F39-I168 HydrophobicContact CZ-CG2 3.83Å; F39-A171 HydrophobicContact CE2-CB 4.17Å; F39-E172 HydrophobicContact CE1-CB 4.1Å; F39-E172 HydrophobicContact CE1-CG 4.39Å; F39-E172 HydrophobicContact CE2-CB 4.37Å; F39-E172 HydrophobicContact CZ-CB 3.69Å; F39-E172 HydrophobicContact CZ-CG 4.45Å; F39-W202 HydrophobicContact CD1-CH2 4.3Å; F39-W202 AromaticContact CE1-CH2 3.65Å; F39-W202 HydrophobicContact CE1-CH2 3.65Å; F39-W202 AromaticContact CE1-CZ2 3.55Å; F39-W202 HydrophobicContact CE1-CZ2 3.55Å; F39-W202 HydrophobicContact CZ-CH2 4Å; F39-W202 AromaticContact CZ-CZ2 3.6Å; F39-W202 HydrophobicContact CZ-CZ2 3.6Å |
| 40 | A | 98.1 | Very high | 98 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -69.3 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | F36 E37 F53 | F36-A40 PolarHBondContact O-N 3.26Å; E37-A40 PolarHBondContact O-N 3.12Å; A40-F53 HydrophobicContact CB-CD2 4.16Å |
| 41 | S | 97.3 | Very high | 98 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -94.2 | -31.2 | -167.7 | -68.2 | 0 | 0 | 0 | 0 | 114.7 | Y8 E37 Q45 | Y8-S41 WeakPolarHBondContact OH-CB 3.46Å; E37-S41 VanDerWaalsContact O-CB 3.28Å; E37-S41 WeakPolarHBondContact O-CB 3.31Å; E37-S41 PolarHBondContact O-N 3.12Å; E37-S41 PolarHBondContact O-OG 3.37Å; S41-Q45 WeakPolarHBondContact O-CG 3.44Å |
| 42 | D | 97.7 | Very high | 98 | Very high | 74 Ų | 74 | 38 Ų | 38 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -121.7 | -56.6 | -176.6 | -92.5 | -94.5 | 0 | 0 | 0 | 112 | Y8 Y38 | Y8-D42 PolarHBondContact OH-OD2 2.87Å; Y38-D42 HydrophobicContact CD2-CB 3.9Å; Y38-D42 HydrophobicContact CE2-CB 3.61Å; Y38-D42 PolarHBondContact O-N 2.69Å |
| 43 | Q | 97.6 | Very high | 97.9 | Very high | 35 Ų | 35 | 39 Ų | 39 | 16% | 0.164 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -76.6 | -32.5 | -164.3 | -180 | 169.3 | -12.1 | 0 | 0 | 114.7 | Y38 F39 E172 R180 | Y38-Q43 HydrophobicContact CD1-CB 4.18Å; Y38-Q43 HydrophobicContact CE1-CB 3.89Å; Y38-Q43 PolarHBondContact O-N 3.21Å; F39-Q43 HydrophobicContact CD1-CB 4.24Å; F39-Q43 HydrophobicContact CD1-CG 4.47Å; F39-Q43 VanDerWaalsContact CE1-OE1 3.26Å; Q43-E172 PolarHBondContact NE2-OE1 3.13Å; Q43-R180 PolarHBondContact O-NH2 2.66Å |
| 44 | F | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 27.7 | 178.1 | -53.8 | -74.2 | 0 | 0 | 0 | 111.5 | F39 E46 F47 F53 E172 C175 Q176 | F39-F44 HydrophobicContact CB-CD2 3.79Å; F39-F44 HydrophobicContact CB-CE2 4.13Å; F39-F44 HydrophobicContact CD1-CD2 4.23Å; F39-F44 AromaticContact CD1-CE2 3.81Å; F39-F44 HydrophobicContact CD1-CE2 3.81Å; F39-F44 HydrophobicContact CE1-CE2 4.41Å; F39-F44 HydrophobicContact CG-CD2 4.14Å; F39-F44 AromaticContact CG-CE2 3.95Å; F39-F44 HydrophobicContact CG-CE2 3.95Å; F39-F44 WeakPolarHBondContact O-CA 3.44Å; F39-F44 WeakPolarHBondContact O-CB 3.08Å; F39-F44 PolarHBondContact O-N 3.42Å; F44-E46 PolarHBondContact O-N 3.19Å; F44-F47 HydrophobicContact CB-CD2 4.24Å; F44-F47 HydrophobicContact CD1-CD2 4.34Å; F44-F47 PolarHBondContact O-N 3.06Å; F44-F53 HydrophobicContact CB-CE2 4.49Å; F44-F53 HydrophobicContact CD2-CE2 4.12Å; F44-F53 AromaticContact CD2-CZ 3.8Å; F44-F53 HydrophobicContact CD2-CZ 3.8Å; F44-F53 HydrophobicContact CE2-CZ 4.23Å; F44-E172 HydrophobicContact CZ-CG 4.44Å; F44-C175 HydrophobicContact CD1-CB 4.36Å; F44-C175 VanDerWaalsContact CD1-SG 3.54Å; F44-C175 HydrophobicContact CD2-CB 4.34Å; F44-C175 HydrophobicContact CE1-CB 3.94Å; F44-C175 HydrophobicContact CE2-CB 3.93Å; F44-C175 VanDerWaalsContact CG-SG 3.57Å; F44-C175 HydrophobicContact CZ-CB 3.7Å; F44-Q176 HydrophobicContact CE1-CB 4.49Å; F44-Q176 HydrophobicContact CE1-CG 3.65Å; F44-Q176 HydrophobicContact CZ-CG 3.77Å |
| 45 | Q | 97.3 | Very high | 97.9 | Very high | 123 Ų | 123 | 39.4 Ų | 39.4 | 58% | 0.575 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -55 | -35 | -179.6 | -168 | -149.4 | -26.1 | 0 | 0 | 111.6 | S41 F47 S48 | S41-Q45 WeakPolarHBondContact O-CG 3.44Å; Q45-F47 PolarHBondContact O-N 3.45Å; Q45-F47 VanDerWaalsContact O-N 3.11Å; Q45-S48 WeakPolarHBondContact O-CB 3.48Å; Q45-S48 PolarHBondContact O-N 3.34Å; Q45-S48 VanDerWaalsContact O-N 3.16Å; Q45-S48 PolarHBondContact O-OG 3.3Å |
| 46 | E | 97.5 | Very high | 97.8 | Very high | 103 Ų | 103 | 39.7 Ų | 39.7 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -64.7 | -14.2 | 178.2 | 73.1 | -88 | -153.4 | 0 | 0 | 113.9 | F44 R180 | F44-E46 PolarHBondContact O-N 3.19Å; E46-R180 IonicContact OE1-CZ 2.7Å; E46-R180 IonicContact OE1-NE 3.79Å; E46-R180 PolarHBondContact OE1-NE 3.43Å; E46-R180 IonicContact OE1-NH2 3.45Å; E46-R180 PolarHBondContact OE1-NH2 2.73Å; E46-R180 IonicContact OE2-NH2 3.81Å |
| 47 | F | 97.5 | Very high | 97.7 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 17% | 0.167 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -111.2 | 14.4 | 178.5 | -52.9 | -61.4 | 0 | 0 | 0 | 113.2 | F44 Q45 D49 Q50 V51 F179 R180 | F44-F47 HydrophobicContact CB-CD2 4.24Å; F44-F47 HydrophobicContact CD1-CD2 4.34Å; F44-F47 PolarHBondContact O-N 3.06Å; Q45-F47 PolarHBondContact O-N 3.45Å; Q45-F47 VanDerWaalsContact O-N 3.11Å; F47-D49 PolarHBondContact O-N 3.42Å; F47-Q50 PolarHBondContact O-N 2.95Å; F47-Q50 PolarHBondContact O-OE1 3.11Å; F47-Q50 VanDerWaalsContact O-OE1 3.1Å; F47-V51 HydrophobicContact CB-CG1 4.06Å; F47-V51 WeakPolarHBondContact O-CG1 3.29Å; F47-V51 PolarHBondContact O-N 3.43Å; F47-F179 HydrophobicContact CB-CD1 4.44Å; F47-F179 HydrophobicContact CB-CD2 4.18Å; F47-F179 HydrophobicContact CB-CE1 4.48Å; F47-F179 HydrophobicContact CB-CE2 4.2Å; F47-F179 HydrophobicContact CB-CG 4.3Å; F47-F179 HydrophobicContact CB-CZ 4.35Å; F47-F179 HydrophobicContact CD1-CB 3.95Å; F47-F179 AromaticContact CD1-CD1 3.76Å; F47-F179 HydrophobicContact CD1-CD1 3.76Å; F47-F179 HydrophobicContact CD1-CE1 4.41Å; F47-F179 AromaticContact CD1-CG 3.83Å; F47-F179 HydrophobicContact CD1-CG 3.83Å; F47-F179 HydrophobicContact CD2-CB 3.75Å; F47-F179 AromaticContact CD2-CD2 3.98Å; F47-F179 HydrophobicContact CD2-CD2 3.98Å; F47-F179 AromaticContact CD2-CG 3.88Å; F47-F179 HydrophobicContact CD2-CG 3.88Å; F47-F179 HydrophobicContact CE1-CB 3.73Å; F47-F179 HydrophobicContact CE1-CD1 4.18Å; F47-F179 HydrophobicContact CE1-CG 4.12Å; F47-F179 HydrophobicContact CE2-CB 3.5Å; F47-F179 HydrophobicContact CE2-CG 4.15Å; F47-F179 HydrophobicContact CG-CB 3.98Å; F47-F179 HydrophobicContact CG-CD1 4.01Å; F47-F179 AromaticContact CG-CD2 3.96Å; F47-F179 HydrophobicContact CG-CD2 3.96Å; F47-F179 HydrophobicContact CG-CE2 4.45Å; F47-F179 AromaticContact CG-CG 3.71Å; F47-F179 HydrophobicContact CG-CG 3.71Å; F47-F179 HydrophobicContact CZ-CB 3.51Å; F47-F179 HydrophobicContact CZ-CG 4.28Å; F47-R180 HydrophobicContact CE2-CG 4.18Å; F47-R180 HydrophobicContact CZ-CG 4.3Å |
| 48 | S | 96.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.5 | -174.7 | 62.3 | 0 | 0 | 0 | 0 | 114 | Q45 K83 | Q45-S48 WeakPolarHBondContact O-CB 3.48Å; Q45-S48 PolarHBondContact O-N 3.34Å; Q45-S48 VanDerWaalsContact O-N 3.16Å; Q45-S48 PolarHBondContact O-OG 3.3Å; S48-K83 PolarHBondContact O-NZ 2.92Å |
| 49 | D | 96.8 | Very high | 97.7 | Very high | 116 Ų | 116 | 42 Ų | 42 | 62% | 0.62 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -26.9 | 176.8 | -69.1 | -22.2 | 0 | 0 | 0 | 112.3 | F47 K83 | F47-D49 PolarHBondContact O-N 3.42Å; D49-K83 VanDerWaalsContact O-CD 3.29Å; D49-K83 WeakPolarHBondContact O-CD 3.38Å; D49-K83 PolarHBondContact O-NZ 3.12Å |
| 50 | Q | 97.4 | Very high | 97.6 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -26.3 | -175.6 | -57.8 | 82.9 | 7.6 | 0 | 0 | 114.1 | F47 K83 E84 L85 F179 | F47-Q50 PolarHBondContact O-N 2.95Å; F47-Q50 PolarHBondContact O-OE1 3.11Å; F47-Q50 VanDerWaalsContact O-OE1 3.1Å; Q50-K83 CarbonylContact O-C 3.48Å; Q50-K83 WeakPolarHBondContact O-CA 3.41Å; Q50-E84 HydrophobicContact CB-CB 4.35Å; Q50-E84 HydrophobicContact CB-CG 4.14Å; Q50-E84 HydrophobicContact CG-CG 4.42Å; Q50-E84 PolarHBondContact O-N 3.37Å; Q50-L85 PolarHBondContact O-N 3Å; Q50-L85 VanDerWaalsContact O-N 3.15Å; Q50-F179 HydrophobicContact CB-CE1 3.63Å; Q50-F179 HydrophobicContact CB-CZ 3.71Å; Q50-F179 HydrophobicContact CG-CE1 4.31Å |
| 51 | V | 98 | Very high | 97.5 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.5 | -178.6 | 68 | 0 | 0 | 0 | 0 | 112.5 | F47 F53 L85 F87 F179 | F47-V51 HydrophobicContact CB-CG1 4.06Å; F47-V51 WeakPolarHBondContact O-CG1 3.29Å; F47-V51 PolarHBondContact O-N 3.43Å; V51-F53 HydrophobicContact CB-CE2 4.43Å; V51-F53 HydrophobicContact CG1-CD2 4.45Å; V51-F53 HydrophobicContact CG1-CE2 3.73Å; V51-F53 HydrophobicContact CG1-CZ 4.39Å; V51-F53 HydrophobicContact CG2-CD2 4.26Å; V51-F53 HydrophobicContact CG2-CE1 4.46Å; V51-F53 HydrophobicContact CG2-CE2 3.73Å; V51-F53 HydrophobicContact CG2-CZ 3.84Å; V51-L85 WeakPolarHBondContact CA-O 3.38Å; V51-L85 HydrophobicContact CB-CB 4.39Å; V51-L85 HydrophobicContact CG2-CB 3.92Å; V51-F87 HydrophobicContact CG2-CD2 3.68Å; V51-F87 HydrophobicContact CG2-CE2 3.56Å; V51-F179 HydrophobicContact CB-CE2 3.75Å; V51-F179 HydrophobicContact CB-CZ 4.02Å; V51-F179 HydrophobicContact CG1-CE2 4.18Å; V51-F179 HydrophobicContact CG2-CE2 4.31Å |
| 52 | C | 98.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 12% | 0.122 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.3 | 168.7 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | I54 L80 K83 L85 V86 F87 | C52-I54 VanDerWaalsContact SG-CD1 3.59Å; C52-L80 HydrophobicContact CB-CD2 3.79Å; C52-L80 WeakPolarHBondContact SG-CD2 3.35Å; C52-K83 HydrophobicContact CB-CD 4.25Å; C52-K83 HydrophobicContact CB-CG 3.88Å; C52-L85 PolarHBondContact N-O 3.5Å; C52-V86 WeakPolarHBondContact O-CA 3.36Å; C52-F87 PolarHBondContact O-N 3.38Å |
| 53 | F | 98.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 109.8 | 172.9 | -63.1 | -85 | 0 | 0 | 0 | 108.2 | F36 F39 A40 F44 V51 F87 C175 | F36-F53 HydrophobicContact CB-CB 3.86Å; F36-F53 HydrophobicContact CD2-CB 3.66Å; F36-F53 HydrophobicContact CD2-CD1 4.23Å; F36-F53 HydrophobicContact CD2-CG 4.44Å; F36-F53 HydrophobicContact CE2-CB 4.4Å; F36-F53 HydrophobicContact CE2-CD1 4.35Å; F36-F53 HydrophobicContact CG-CB 3.94Å; F36-F53 HydrophobicContact CG-CD1 4.32Å; F39-F53 HydrophobicContact CB-CD1 4.2Å; F39-F53 HydrophobicContact CB-CD2 3.92Å; F39-F53 HydrophobicContact CB-CE1 4.02Å; F39-F53 HydrophobicContact CB-CE2 3.73Å; F39-F53 HydrophobicContact CB-CG 4.16Å; F39-F53 HydrophobicContact CB-CZ 3.78Å; F39-F53 HydrophobicContact CD2-CD1 4.06Å; F39-F53 AromaticContact CD2-CE1 3.88Å; F39-F53 HydrophobicContact CD2-CE1 3.88Å; F39-F53 HydrophobicContact CD2-CZ 4.38Å; F39-F53 HydrophobicContact CG-CE1 4.33Å; F39-F53 HydrophobicContact CG-CZ 4.4Å; A40-F53 HydrophobicContact CB-CD2 4.16Å; F44-F53 HydrophobicContact CB-CE2 4.49Å; F44-F53 HydrophobicContact CD2-CE2 4.12Å; F44-F53 AromaticContact CD2-CZ 3.8Å; F44-F53 HydrophobicContact CD2-CZ 3.8Å; F44-F53 HydrophobicContact CE2-CZ 4.23Å; V51-F53 HydrophobicContact CB-CE2 4.43Å; V51-F53 HydrophobicContact CG1-CD2 4.45Å; V51-F53 HydrophobicContact CG1-CE2 3.73Å; V51-F53 HydrophobicContact CG1-CZ 4.39Å; V51-F53 HydrophobicContact CG2-CD2 4.26Å; V51-F53 HydrophobicContact CG2-CE1 4.46Å; V51-F53 HydrophobicContact CG2-CE2 3.73Å; V51-F53 HydrophobicContact CG2-CZ 3.84Å; F53-F87 HydrophobicContact CD1-CB 3.78Å; F53-F87 AromaticContact CD1-CD2 3.8Å; F53-F87 HydrophobicContact CD1-CD2 3.8Å; F53-F87 AromaticContact CD1-CG 3.92Å; F53-F87 HydrophobicContact CD1-CG 3.92Å; F53-F87 HydrophobicContact CE1-CB 4.25Å; F53-F87 AromaticContact CE1-CD2 3.51Å; F53-F87 HydrophobicContact CE1-CD2 3.51Å; F53-F87 AromaticContact CE1-CE2 3.96Å; F53-F87 HydrophobicContact CE1-CE2 3.96Å; F53-F87 AromaticContact CE1-CG 3.86Å; F53-F87 HydrophobicContact CE1-CG 3.86Å; F53-F87 HydrophobicContact CZ-CD2 4.12Å; F53-F87 HydrophobicContact CZ-CE2 4.27Å; F53-C175 HydrophobicContact CZ-CB 4.12Å |
| 54 | I | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -84.2 | 125.4 | -178.8 | -58.8 | -66.2 | 0 | 0 | 0 | 109.1 | F36 C52 V58 A59 L78 L80 V86 F87 L88 P89 | F36-I54 VanDerWaalsContact CD2-O 3.27Å; F36-I54 WeakPolarHBondContact CD2-O 3.39Å; C52-I54 VanDerWaalsContact SG-CD1 3.59Å; I54-V58 HydrophobicContact CG2-CB 3.59Å; I54-V58 HydrophobicContact CG2-CG1 3.55Å; I54-A59 HydrophobicContact CG2-CB 4.26Å; I54-L78 HydrophobicContact CD1-CD1 3.58Å; I54-L80 HydrophobicContact CD1-CD1 4.27Å; I54-L80 HydrophobicContact CD1-CD2 4Å; I54-V86 HydrophobicContact CD1-CG1 4.31Å; I54-V86 HydrophobicContact CG1-CG1 3.71Å; I54-F87 WeakPolarHBondContact CB-O 3.27Å; I54-F87 PolarHBondContact N-O 2.89Å; I54-L88 HydrophobicContact CB-CB 4.48Å; I54-L88 HydrophobicContact CB-CD2 4.13Å; I54-L88 HydrophobicContact CB-CG 3.9Å; I54-L88 HydrophobicContact CG1-CD2 4.02Å; I54-L88 HydrophobicContact CG1-CG 3.85Å; I54-L88 HydrophobicContact CG2-CD2 4.09Å; I54-L88 HydrophobicContact CG2-CG 4.37Å; I54-P89 WeakPolarHBondContact O-CD 3.4Å | ||
| 55 | G | 97.9 | Very high | 97.2 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | trans | -61 | 152.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E57 V58 A59 | G55-E57 VanDerWaalsContact C-N 3.27Å; G55-E57 PolarHBondContact O-N 3.41Å; G55-V58 PolarHBondContact O-N 3.17Å; G55-V58 VanDerWaalsContact O-N 3.12Å; G55-A59 PolarHBondContact O-N 3.46Å | ||
| 56 | P | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.1 | -39.3 | 178.4 | -26 | 34.3 | 0 | 0 | 0 | 115.2 | D29 I32 A59 Q60 P89 W103 | D29-P56 HydrophobicContact CB-CB 3.74Å; D29-P56 HydrophobicContact CB-CG 4.11Å; I32-P56 HydrophobicContact CB-CG 3.97Å; I32-P56 HydrophobicContact CG2-CG 3.88Å; P56-A59 PolarHBondContact O-N 2.77Å; P56-Q60 WeakPolarHBondContact O-CB 3.17Å; P56-Q60 PolarHBondContact O-N 2.89Å; P56-P89 HydrophobicContact CB-CG 4.11Å; P56-P89 HydrophobicContact CG-CG 3.76Å; P56-W103 HydrophobicContact CB-CH2 3.79Å; P56-W103 HydrophobicContact CB-CZ3 4.06Å |
| 57 | E | 96.6 | Very high | 96.8 | Very high | 117 Ų | 117 | 38.3 Ų | 38.3 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 178 | 66.8 | -69.2 | 164.9 | 0 | 0 | 112 | G55 Q60 F61 | G55-E57 VanDerWaalsContact C-N 3.27Å; G55-E57 PolarHBondContact O-N 3.41Å; E57-Q60 PolarHBondContact O-N 3.46Å; E57-F61 WeakPolarHBondContact O-CB 3.4Å; E57-F61 PolarHBondContact O-N 3.22Å |
| 58 | V | 97.1 | Very high | 96.5 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 13% | 0.127 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.6 | -40.9 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | I54 G55 Q60 F61 I62 F74 L75 L78 | I54-V58 HydrophobicContact CG2-CB 3.59Å; I54-V58 HydrophobicContact CG2-CG1 3.55Å; G55-V58 PolarHBondContact O-N 3.17Å; G55-V58 VanDerWaalsContact O-N 3.12Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 2.92Å; V58-F61 WeakPolarHBondContact O-CB 3.36Å; V58-F61 PolarHBondContact O-N 2.68Å; V58-I62 HydrophobicContact CG1-CD1 4.38Å; V58-I62 WeakPolarHBondContact O-CG1 3.49Å; V58-I62 PolarHBondContact O-N 3.16Å; V58-F74 HydrophobicContact CB-CE1 4.23Å; V58-F74 HydrophobicContact CG1-CD1 4.15Å; V58-F74 HydrophobicContact CG1-CE1 3.71Å; V58-F74 HydrophobicContact CG2-CE1 3.77Å; V58-F74 HydrophobicContact CG2-CZ 4.27Å; V58-L75 HydrophobicContact CG1-CD2 3.93Å; V58-L78 HydrophobicContact CG1-CD1 4.47Å |
| 59 | A | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I54 G55 P56 I62 K63 L88 P89 | I54-A59 HydrophobicContact CG2-CB 4.26Å; G55-A59 PolarHBondContact O-N 3.46Å; P56-A59 PolarHBondContact O-N 2.77Å; A59-I62 PolarHBondContact O-N 2.97Å; A59-K63 PolarHBondContact O-N 3.4Å; A59-L88 HydrophobicContact CB-CB 4.35Å; A59-P89 WeakPolarHBondContact CB-O 3.44Å |
| 60 | Q | 97.5 | Very high | 96.1 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 20% | 0.201 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 173.7 | -174.4 | 67.9 | 2.5 | 0 | 0 | 111.5 | P56 E57 V58 I62 K63 C64 N93 S94 | P56-Q60 WeakPolarHBondContact O-CB 3.17Å; P56-Q60 PolarHBondContact O-N 2.89Å; E57-Q60 PolarHBondContact O-N 3.46Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 2.92Å; Q60-I62 PolarHBondContact O-N 2.47Å; Q60-K63 WeakPolarHBondContact O-CB 3.43Å; Q60-K63 PolarHBondContact O-N 2.98Å; Q60-C64 PolarHBondContact NE2-SG 2.92Å; Q60-C64 VanDerWaalsContact NE2-SG 3.44Å; Q60-C64 WeakPolarHBondContact O-CB 3.33Å; Q60-C64 PolarHBondContact O-N 3.46Å; Q60-C64 PolarHBondContact O-SG 3.32Å; Q60-C64 VanDerWaalsContact O-SG 3.39Å; Q60-N93 PolarHBondContact NE2-O 2.91Å; Q60-S94 PolarHBondContact NE2-O 3.46Å |
| 61 | F | 96.9 | Very high | 96 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 20% | 0.202 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 173.4 | 164.3 | -96.5 | 0 | 0 | 0 | 111.3 | E57 V58 K63 C64 A65 E70 F74 | E57-F61 WeakPolarHBondContact O-CB 3.4Å; E57-F61 PolarHBondContact O-N 3.22Å; V58-F61 WeakPolarHBondContact O-CB 3.36Å; V58-F61 PolarHBondContact O-N 2.68Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 2.87Å; F61-C64 PolarHBondContact O-N 2.99Å; F61-C64 VanDerWaalsContact O-N 3.13Å; F61-A65 HydrophobicContact CE2-CB 4.34Å; F61-A65 HydrophobicContact CZ-CB 4.33Å; F61-A65 WeakPolarHBondContact O-CB 3.38Å; F61-A65 PolarHBondContact O-N 3Å; F61-E70 HydrophobicContact CE2-CG 4.18Å; F61-E70 HydrophobicContact CZ-CG 3.97Å; F61-F74 HydrophobicContact CD1-CB 4.31Å; F61-F74 AromaticContact CD1-CD1 3.74Å; F61-F74 HydrophobicContact CD1-CD1 3.74Å; F61-F74 HydrophobicContact CD1-CE1 4.28Å; F61-F74 AromaticContact CD1-CG 3.99Å; F61-F74 HydrophobicContact CD1-CG 3.99Å; F61-F74 HydrophobicContact CE1-CB 3.42Å; F61-F74 VanDerWaalsContact CE1-CB 3.42Å; F61-F74 AromaticContact CE1-CD1 3.72Å; F61-F74 HydrophobicContact CE1-CD1 3.72Å; F61-F74 HydrophobicContact CE1-CD2 4.35Å; F61-F74 AromaticContact CE1-CG 3.56Å; F61-F74 HydrophobicContact CE1-CG 3.56Å; F61-F74 HydrophobicContact CZ-CB 3.7Å; F61-F74 HydrophobicContact CZ-CD2 4.4Å; F61-F74 AromaticContact CZ-CG 3.96Å; F61-F74 HydrophobicContact CZ-CG 3.96Å |
| 62 | I | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55 | -49.4 | 175.3 | -63.9 | 165.1 | 0 | 0 | 0 | 109.4 | V58 A59 Q60 C64 L75 L88 V132 K135 | V58-I62 HydrophobicContact CG1-CD1 4.38Å; V58-I62 WeakPolarHBondContact O-CG1 3.49Å; V58-I62 PolarHBondContact O-N 3.16Å; A59-I62 PolarHBondContact O-N 2.97Å; Q60-I62 PolarHBondContact O-N 2.47Å; I62-C64 VanDerWaalsContact C-N 3.3Å; I62-C64 PolarHBondContact O-N 3.33Å; I62-L75 HydrophobicContact CD1-CD1 3.96Å; I62-L75 HydrophobicContact CD1-CD2 3.84Å; I62-L75 HydrophobicContact CD1-CG 4.49Å; I62-L75 HydrophobicContact CG1-CD1 4.1Å; I62-L75 HydrophobicContact CG1-CD2 4.07Å; I62-L75 HydrophobicContact CG1-CG 4.47Å; I62-L88 HydrophobicContact CD1-CD2 3.8Å; I62-V132 HydrophobicContact CG2-CG1 4.13Å; I62-K135 HydrophobicContact CG2-CB 3.89Å; I62-K135 HydrophobicContact CG2-CD 4.42Å; I62-K135 WeakPolarHBondContact O-CD 3.49Å; I62-K135 WeakPolarHBondContact O-CE 3.31Å; I62-K135 PolarHBondContact O-NZ 2.9Å |
| 63 | K | 96.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -38.9 | -179.8 | -164.3 | -179.3 | 74.7 | -167.7 | 0 | 113 | A59 Q60 F61 N91 N93 H128 Q131 V132 K135 | A59-K63 PolarHBondContact O-N 3.4Å; Q60-K63 WeakPolarHBondContact O-CB 3.43Å; Q60-K63 PolarHBondContact O-N 2.98Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 2.87Å; K63-N91 PolarHBondContact NZ-O 2.93Å; K63-N93 WeakPolarHBondContact CE-O 3.32Å; K63-N93 PolarHBondContact NZ-O 3.26Å; K63-H128 HydrophobicContact CD-CB 3.99Å; K63-Q131 HydrophobicContact CG-CG 4.29Å; K63-Q131 PolarHBondContact O-NE2 3.42Å; K63-V132 HydrophobicContact CB-CG2 3.65Å; K63-V132 HydrophobicContact CD-CG2 4.31Å; K63-V132 HydrophobicContact CG-CG2 3.87Å; K63-K135 PolarHBondContact O-NZ 3.21Å |
| 64 | C | 95.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -95.3 | -22 | -171.6 | -65.9 | 0 | 0 | 0 | 0 | 115 | Q60 F61 I62 N95 | Q60-C64 PolarHBondContact NE2-SG 2.92Å; Q60-C64 VanDerWaalsContact NE2-SG 3.44Å; Q60-C64 WeakPolarHBondContact O-CB 3.33Å; Q60-C64 PolarHBondContact O-N 3.46Å; Q60-C64 PolarHBondContact O-SG 3.32Å; Q60-C64 VanDerWaalsContact O-SG 3.39Å; F61-C64 PolarHBondContact O-N 2.99Å; F61-C64 VanDerWaalsContact O-N 3.13Å; I62-C64 VanDerWaalsContact C-N 3.3Å; I62-C64 PolarHBondContact O-N 3.33Å; C64-N95 HydrophobicContact CB-CB 4.21Å |
| 65 | A | 94.3 | Very high | 95 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | trans | -55.9 | 138.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F61 V71 K135 | F61-A65 HydrophobicContact CE2-CB 4.34Å; F61-A65 HydrophobicContact CZ-CB 4.33Å; F61-A65 WeakPolarHBondContact O-CB 3.38Å; F61-A65 PolarHBondContact O-N 3Å; A65-V71 HydrophobicContact CB-CG2 3.43Å; A65-V71 VanDerWaalsContact CB-CG2 3.43Å; A65-K135 VanDerWaalsContact O-CE 3.31Å; A65-K135 WeakPolarHBondContact O-CE 3.43Å; A65-K135 PolarHBondContact O-NZ 3.31Å | ||
| 66 | T | 92.5 | Very high | 94.7 | Very high | 141 Ų | 141 | 55.5 Ų | 55.5 | 87% | 0.865 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -97.5 | -16.6 | -178 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 67 | S | 93.9 | Very high | 94.5 | Very high | 39 Ų | 39 | 60.3 Ų | 60.3 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | trans | -112.9 | 136.9 | 178.9 | 160.3 | 0 | 0 | 0 | 0 | 111.1 | E69 E70 V71 | S67-E69 VanDerWaalsContact C-N 3.31Å; S67-E69 WeakPolarHBondContact OG-CB 3.38Å; S67-E69 PolarHBondContact OG-N 3.32Å; S67-E69 VanDerWaalsContact OG-N 3.16Å; S67-E69 PolarHBondContact OG-OE2 2.9Å; S67-E70 PolarHBondContact OG-N 2.88Å; S67-E70 VanDerWaalsContact OG-N 3.17Å; S67-V71 WeakPolarHBondContact O-CG2 3.2Å; S67-V71 PolarHBondContact O-N 2.95Å | ||
| 68 | Q | 90.2 | Very high | 94.4 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 27% | 0.271 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.4 | -30.3 | 174.7 | -171.2 | 62 | 40.9 | 0 | 0 | 111.4 | V71 A72 K135 A138 F139 | Q68-V71 PolarHBondContact O-N 2.83Å; Q68-A72 WeakPolarHBondContact O-CB 3.47Å; Q68-A72 PolarHBondContact O-N 2.82Å; Q68-K135 PolarHBondContact NE2-O 2.91Å; Q68-A138 VanDerWaalsContact CD-CB 3.44Å; Q68-A138 HydrophobicContact CG-CB 4.18Å; Q68-F139 VanDerWaalsContact NE2-N 3.18Å |
| 69 | E | 92.4 | Very high | 94.2 | Very high | 132 Ų | 132 | 60.1 Ų | 60.1 | 62% | 0.617 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 176 | -59.9 | 69.9 | -154.2 | 0 | 0 | 110.7 | S67 A72 M73 | S67-E69 VanDerWaalsContact C-N 3.31Å; S67-E69 WeakPolarHBondContact OG-CB 3.38Å; S67-E69 PolarHBondContact OG-N 3.32Å; S67-E69 VanDerWaalsContact OG-N 3.16Å; S67-E69 PolarHBondContact OG-OE2 2.9Å; E69-A72 PolarHBondContact O-N 2.78Å; E69-M73 WeakPolarHBondContact O-CG 3.47Å; E69-M73 PolarHBondContact O-N 3.28Å |
| 70 | E | 93.6 | Very high | 94.1 | Very high | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 175 | -166.5 | -168.9 | 177.7 | 0 | 0 | 111.4 | F61 S67 A72 M73 F74 | F61-E70 HydrophobicContact CE2-CG 4.18Å; F61-E70 HydrophobicContact CZ-CG 3.97Å; S67-E70 PolarHBondContact OG-N 2.88Å; S67-E70 VanDerWaalsContact OG-N 3.17Å; E70-A72 VanDerWaalsContact C-N 3.3Å; E70-A72 PolarHBondContact O-N 2.87Å; E70-M73 PolarHBondContact O-N 2.85Å; E70-F74 PolarHBondContact O-N 2.84Å; E70-F74 VanDerWaalsContact O-N 3.11Å |
| 71 | V | 93.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | A65 S67 Q68 M73 F74 L75 | A65-V71 HydrophobicContact CB-CG2 3.43Å; A65-V71 VanDerWaalsContact CB-CG2 3.43Å; S67-V71 WeakPolarHBondContact O-CG2 3.2Å; S67-V71 PolarHBondContact O-N 2.95Å; Q68-V71 PolarHBondContact O-N 2.83Å; V71-M73 PolarHBondContact O-N 3.46Å; V71-F74 PolarHBondContact O-N 2.94Å; V71-L75 HydrophobicContact CG1-CD1 3.56Å; V71-L75 HydrophobicContact CG1-CG 4.11Å; V71-L75 WeakPolarHBondContact O-CB 3.18Å; V71-L75 VanDerWaalsContact O-CG 3.27Å; V71-L75 WeakPolarHBondContact O-CG 3.23Å; V71-L75 PolarHBondContact O-N 2.99Å |
| 72 | A | 92.8 | Very high | 93.5 | Very high | 31 Ų | 31 | 65.7 Ų | 65.7 | 26% | 0.256 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q68 E69 E70 F74 L75 Q76 F139 | Q68-A72 WeakPolarHBondContact O-CB 3.47Å; Q68-A72 PolarHBondContact O-N 2.82Å; E69-A72 PolarHBondContact O-N 2.78Å; E70-A72 VanDerWaalsContact C-N 3.3Å; E70-A72 PolarHBondContact O-N 2.87Å; A72-F74 VanDerWaalsContact C-N 3.31Å; A72-F74 PolarHBondContact O-N 3.42Å; A72-L75 PolarHBondContact O-N 2.78Å; A72-Q76 VanDerWaalsContact O-CB 3.32Å; A72-Q76 WeakPolarHBondContact O-CB 3.49Å; A72-Q76 PolarHBondContact O-N 3.47Å; A72-F139 HydrophobicContact CB-CD2 3.74Å; A72-F139 HydrophobicContact CB-CE2 4.02Å |
| 73 | M | 92.1 | Very high | 93.5 | Very high | 142 Ų | 142 | 66.7 Ų | 66.7 | 70% | 0.7 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.7 | -41.4 | 177.4 | -73.6 | 176.1 | 60.2 | 0 | 0 | 112 | E69 E70 V71 | E69-M73 WeakPolarHBondContact O-CG 3.47Å; E69-M73 PolarHBondContact O-N 3.28Å; E70-M73 PolarHBondContact O-N 2.85Å; V71-M73 PolarHBondContact O-N 3.46Å |
| 74 | F | 92.9 | Very high | 93.4 | Very high | 99 Ų | 99 | 70.1 Ų | 70.1 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.1 | -35.3 | -178.9 | -166.4 | -89.8 | 0 | 0 | 0 | 112.8 | V58 F61 E70 V71 A72 P77 | V58-F74 HydrophobicContact CB-CE1 4.23Å; V58-F74 HydrophobicContact CG1-CD1 4.15Å; V58-F74 HydrophobicContact CG1-CE1 3.71Å; V58-F74 HydrophobicContact CG2-CE1 3.77Å; V58-F74 HydrophobicContact CG2-CZ 4.27Å; F61-F74 HydrophobicContact CD1-CB 4.31Å; F61-F74 AromaticContact CD1-CD1 3.74Å; F61-F74 HydrophobicContact CD1-CD1 3.74Å; F61-F74 HydrophobicContact CD1-CE1 4.28Å; F61-F74 AromaticContact CD1-CG 3.99Å; F61-F74 HydrophobicContact CD1-CG 3.99Å; F61-F74 HydrophobicContact CE1-CB 3.42Å; F61-F74 VanDerWaalsContact CE1-CB 3.42Å; F61-F74 AromaticContact CE1-CD1 3.72Å; F61-F74 HydrophobicContact CE1-CD1 3.72Å; F61-F74 HydrophobicContact CE1-CD2 4.35Å; F61-F74 AromaticContact CE1-CG 3.56Å; F61-F74 HydrophobicContact CE1-CG 3.56Å; F61-F74 HydrophobicContact CZ-CB 3.7Å; F61-F74 HydrophobicContact CZ-CD2 4.4Å; F61-F74 AromaticContact CZ-CG 3.96Å; F61-F74 HydrophobicContact CZ-CG 3.96Å; E70-F74 PolarHBondContact O-N 2.84Å; E70-F74 VanDerWaalsContact O-N 3.11Å; V71-F74 PolarHBondContact O-N 2.94Å; A72-F74 VanDerWaalsContact C-N 3.31Å; A72-F74 PolarHBondContact O-N 3.42Å; F74-P77 WeakPolarHBondContact O-CD 3.37Å |
| 75 | L | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -86.2 | -16.4 | -178.9 | -61.7 | -176.2 | 0 | 0 | 0 | 114 | V58 I62 V71 A72 P77 L78 L80 L136 F139 | V58-L75 HydrophobicContact CG1-CD2 3.93Å; I62-L75 HydrophobicContact CD1-CD1 3.96Å; I62-L75 HydrophobicContact CD1-CD2 3.84Å; I62-L75 HydrophobicContact CD1-CG 4.49Å; I62-L75 HydrophobicContact CG1-CD1 4.1Å; I62-L75 HydrophobicContact CG1-CD2 4.07Å; I62-L75 HydrophobicContact CG1-CG 4.47Å; V71-L75 HydrophobicContact CG1-CD1 3.56Å; V71-L75 HydrophobicContact CG1-CG 4.11Å; V71-L75 WeakPolarHBondContact O-CB 3.18Å; V71-L75 VanDerWaalsContact O-CG 3.27Å; V71-L75 WeakPolarHBondContact O-CG 3.23Å; V71-L75 PolarHBondContact O-N 2.99Å; A72-L75 PolarHBondContact O-N 2.78Å; L75-P77 VanDerWaalsContact C-CD 3.46Å; L75-L78 HydrophobicContact CD2-CD1 3.83Å; L75-L78 WeakPolarHBondContact O-CB 3.44Å; L75-L78 PolarHBondContact O-N 3.36Å; L75-L78 VanDerWaalsContact O-N 3.07Å; L75-L80 HydrophobicContact CB-CD1 4.31Å; L75-L80 HydrophobicContact CD1-CD1 4.2Å; L75-L80 HydrophobicContact CD2-CD1 4.38Å; L75-L136 HydrophobicContact CD1-CD1 3.92Å; L75-F139 HydrophobicContact CB-CD1 4.1Å; L75-F139 HydrophobicContact CB-CD2 4.42Å; L75-F139 HydrophobicContact CB-CE1 3.68Å; L75-F139 HydrophobicContact CB-CE2 4.03Å; L75-F139 HydrophobicContact CB-CG 4.44Å; L75-F139 HydrophobicContact CB-CZ 3.63Å; L75-F139 HydrophobicContact CD1-CB 4.49Å; L75-F139 HydrophobicContact CD1-CD1 3.89Å; L75-F139 HydrophobicContact CD1-CE1 4.28Å; L75-F139 HydrophobicContact CD1-CG 4.12Å |
| 76 | Q | 92.2 | Very high | 93.7 | Very high | 145 Ų | 145 | 67.9 Ų | 67.9 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -53.8 | -43 | -179.7 | -176.5 | 179.8 | -19.6 | 0 | 0 | 113.7 | A72 L78 D79 | A72-Q76 VanDerWaalsContact O-CB 3.32Å; A72-Q76 WeakPolarHBondContact O-CB 3.49Å; A72-Q76 PolarHBondContact O-N 3.47Å; Q76-L78 PolarHBondContact O-N 3.28Å; Q76-D79 PolarHBondContact O-N 2.74Å |
| 77 | P | 94.1 | Very high | 94 | Very high | 107 Ų | 107 | 61.1 Ų | 61.1 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.4 | 178.8 | -22.2 | 35.4 | 0 | 0 | 0 | 114.6 | F74 L75 D79 | F74-P77 WeakPolarHBondContact O-CD 3.37Å; L75-P77 VanDerWaalsContact C-CD 3.46Å; P77-D79 VanDerWaalsContact C-N 3.26Å; P77-D79 PolarHBondContact O-N 3.26Å |
| 78 | L | 94.1 | Very high | 94.2 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -82.1 | -5.4 | -176.8 | -55.2 | -179.9 | 0 | 0 | 0 | 113.3 | I54 V58 L75 Q76 L80 | I54-L78 HydrophobicContact CD1-CD1 3.58Å; V58-L78 HydrophobicContact CG1-CD1 4.47Å; L75-L78 HydrophobicContact CD2-CD1 3.83Å; L75-L78 WeakPolarHBondContact O-CB 3.44Å; L75-L78 PolarHBondContact O-N 3.36Å; L75-L78 VanDerWaalsContact O-N 3.07Å; Q76-L78 PolarHBondContact O-N 3.28Å; L78-L80 HydrophobicContact CB-CD2 3.64Å; L78-L80 HydrophobicContact CB-CG 3.87Å; L78-L80 HydrophobicContact CD1-CD2 4.47Å; L78-L80 PolarHBondContact O-N 3.31Å; L78-L80 VanDerWaalsContact O-N 3.08Å |
| 79 | D | 93.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 36.1 | 178.8 | -164.2 | 34.1 | 0 | 0 | 0 | 114.3 | Q76 P77 L81 H82 | Q76-D79 PolarHBondContact O-N 2.74Å; P77-D79 VanDerWaalsContact C-N 3.26Å; P77-D79 PolarHBondContact O-N 3.26Å; D79-L81 PolarHBondContact O-N 3.49Å; D79-H82 VanDerWaalsContact CG-ND1 3.32Å; D79-H82 PolarHBondContact O-N 2.89Å; D79-H82 VanDerWaalsContact O-N 3.1Å; D79-H82 IonicContact OD1-CE1 3.26Å; D79-H82 PolarHBondContact OD1-CE1 3.45Å; D79-H82 IonicContact OD1-CG 3.47Å; D79-H82 IonicContact OD1-ND1 3.76Å; D79-H82 PolarHBondContact OD1-ND1 2.88Å; D79-H82 IonicContact OD2-CG 2.73Å; D79-H82 IonicContact OD2-ND1 3.78Å; D79-H82 PolarHBondContact OD2-ND1 2.96Å |
| 80 | L | 94.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.6 | -22.2 | -174 | -51.9 | -177.5 | 0 | 0 | 0 | 113 | C52 I54 L75 L78 H82 K83 V86 R110 L136 F139 L140 | C52-L80 HydrophobicContact CB-CD2 3.79Å; C52-L80 WeakPolarHBondContact SG-CD2 3.35Å; I54-L80 HydrophobicContact CD1-CD1 4.27Å; I54-L80 HydrophobicContact CD1-CD2 4Å; L75-L80 HydrophobicContact CB-CD1 4.31Å; L75-L80 HydrophobicContact CD1-CD1 4.2Å; L75-L80 HydrophobicContact CD2-CD1 4.38Å; L78-L80 HydrophobicContact CB-CD2 3.64Å; L78-L80 HydrophobicContact CB-CG 3.87Å; L78-L80 HydrophobicContact CD1-CD2 4.47Å; L78-L80 PolarHBondContact O-N 3.31Å; L78-L80 VanDerWaalsContact O-N 3.08Å; L80-H82 PolarHBondContact O-N 3.27Å; L80-K83 HydrophobicContact CD2-CG 4.48Å; L80-K83 PolarHBondContact O-N 3.41Å; L80-V86 HydrophobicContact CD2-CG1 4.29Å; L80-V86 HydrophobicContact CD2-CG2 4.39Å; L80-R110 PolarHBondContact O-NH2 3.36Å; L80-L136 HydrophobicContact CD1-CD1 3.89Å; L80-F139 HydrophobicContact CB-CE1 4.09Å; L80-F139 HydrophobicContact CD1-CD1 4.47Å; L80-F139 HydrophobicContact CD1-CE1 4.13Å; L80-F139 HydrophobicContact CG-CE1 4.33Å; L80-L140 HydrophobicContact CB-CD2 4.06Å |
| 81 | L | 91.5 | Very high | 95.1 | Very high | 80 Ų | 80 | 46.7 Ų | 46.7 | 42% | 0.419 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -63.4 | -20.9 | 178.9 | -68.2 | 177.7 | 0 | 0 | 0 | 113.6 | D79 R110 L140 | D79-L81 PolarHBondContact O-N 3.49Å; L81-R110 VanDerWaalsContact CA-NH2 3.33Å; L81-R110 PolarHBondContact O-NE 3Å; L81-R110 PolarHBondContact O-NH1 2.91Å; L81-R110 PolarHBondContact O-NH2 3.23Å; L81-L140 HydrophobicContact CD2-CD2 4.23Å; L81-L140 WeakPolarHBondContact CD2-O 3.46Å |
| 82 | H | 91.8 | Very high | 95.2 | Very high | 129 Ų | 129 | 48.1 Ų | 48.1 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -106.2 | -5.1 | 178 | -58.7 | 98.5 | 0 | 0 | 0 | 113.2 | D79 L80 | D79-H82 VanDerWaalsContact CG-ND1 3.32Å; D79-H82 PolarHBondContact O-N 2.89Å; D79-H82 VanDerWaalsContact O-N 3.1Å; D79-H82 IonicContact OD1-CE1 3.26Å; D79-H82 PolarHBondContact OD1-CE1 3.45Å; D79-H82 IonicContact OD1-CG 3.47Å; D79-H82 IonicContact OD1-ND1 3.76Å; D79-H82 PolarHBondContact OD1-ND1 2.88Å; D79-H82 IonicContact OD2-CG 2.73Å; D79-H82 IonicContact OD2-ND1 3.78Å; D79-H82 PolarHBondContact OD2-ND1 2.96Å; L80-H82 PolarHBondContact O-N 3.27Å |
| 83 | K | 95.9 | Very high | 95.4 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | trans | -79 | 129.3 | 179.9 | -53.2 | -60.2 | 172.6 | -165.4 | 0 | 111.9 | S48 D49 Q50 C52 L80 V86 R110 | S48-K83 PolarHBondContact O-NZ 2.92Å; D49-K83 VanDerWaalsContact O-CD 3.29Å; D49-K83 WeakPolarHBondContact O-CD 3.38Å; D49-K83 PolarHBondContact O-NZ 3.12Å; Q50-K83 CarbonylContact O-C 3.48Å; Q50-K83 WeakPolarHBondContact O-CA 3.41Å; C52-K83 HydrophobicContact CB-CD 4.25Å; C52-K83 HydrophobicContact CB-CG 3.88Å; L80-K83 HydrophobicContact CD2-CG 4.48Å; L80-K83 PolarHBondContact O-N 3.41Å; K83-V86 HydrophobicContact CB-CG2 4.01Å; K83-R110 WeakPolarHBondContact O-CD 3.41Å; K83-R110 PolarHBondContact O-NE 3.43Å | ||
| 84 | E | 96 | Very high | 95.1 | Very high | 77 Ų | 77 | 44.1 Ų | 44.1 | 36% | 0.36 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -68.8 | -37.8 | 173.1 | -62.8 | -179.1 | -169.2 | 0 | 0 | 111.8 | Q50 R110 Y178 | Q50-E84 HydrophobicContact CB-CB 4.35Å; Q50-E84 HydrophobicContact CB-CG 4.14Å; Q50-E84 HydrophobicContact CG-CG 4.42Å; Q50-E84 PolarHBondContact O-N 3.37Å; E84-R110 WeakPolarHBondContact O-CB 3.44Å; E84-R110 PolarHBondContact O-N 3.49Å; E84-Y178 HydrophobicContact CB-CE1 4.36Å |
| 85 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.2 | 179.2 | -74.4 | 174.7 | 0 | 0 | 0 | 111.7 | Q50 V51 C52 F87 V107 Y108 F109 Y178 F179 | Q50-L85 PolarHBondContact O-N 3Å; Q50-L85 VanDerWaalsContact O-N 3.15Å; V51-L85 WeakPolarHBondContact CA-O 3.38Å; V51-L85 HydrophobicContact CB-CB 4.39Å; V51-L85 HydrophobicContact CG2-CB 3.92Å; C52-L85 PolarHBondContact N-O 3.5Å; L85-F87 HydrophobicContact CB-CE2 3.9Å; L85-F87 HydrophobicContact CD1-CE2 4.05Å; L85-F87 HydrophobicContact CD1-CZ 4.17Å; L85-F87 HydrophobicContact CG-CE2 4.49Å; L85-V107 HydrophobicContact CD2-CG1 4.11Å; L85-Y108 WeakPolarHBondContact CA-O 3.49Å; L85-F109 HydrophobicContact CD2-CD1 3.28Å; L85-F109 HydrophobicContact CD2-CE1 3.37Å; L85-F109 HydrophobicContact CD2-CG 3.91Å; L85-F109 HydrophobicContact CD2-CZ 4.07Å; L85-Y178 HydrophobicContact CD1-CD1 3.42Å; L85-Y178 VanDerWaalsContact CD1-CD1 3.42Å; L85-Y178 HydrophobicContact CD1-CD2 4.04Å; L85-Y178 HydrophobicContact CD1-CE1 4Å; L85-Y178 HydrophobicContact CD1-CG 3.45Å; L85-Y178 VanDerWaalsContact CD1-CG 3.45Å; L85-Y178 HydrophobicContact CD2-CD2 4.36Å; L85-Y178 HydrophobicContact CD2-CE2 4.4Å; L85-Y178 HydrophobicContact CG-CD1 4.07Å; L85-Y178 HydrophobicContact CG-CD2 4.46Å; L85-Y178 HydrophobicContact CG-CE1 4.13Å; L85-Y178 HydrophobicContact CG-CG 4.24Å; L85-F179 HydrophobicContact CD1-CD2 4.41Å; L85-F179 HydrophobicContact CD1-CE2 3.64Å; L85-F179 HydrophobicContact CD1-CZ 3.95Å; L85-F179 HydrophobicContact CG-CZ 4.48Å |
| 86 | V | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120 | 170.3 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | C52 I54 L80 K83 L88 V107 Y108 | C52-V86 WeakPolarHBondContact O-CA 3.36Å; I54-V86 HydrophobicContact CD1-CG1 4.31Å; I54-V86 HydrophobicContact CG1-CG1 3.71Å; L80-V86 HydrophobicContact CD2-CG1 4.29Å; L80-V86 HydrophobicContact CD2-CG2 4.39Å; K83-V86 HydrophobicContact CB-CG2 4.01Å; V86-L88 HydrophobicContact CB-CD1 4.43Å; V86-L88 HydrophobicContact CG1-CD1 3.83Å; V86-L88 HydrophobicContact CG1-CG 4.37Å; V86-V107 CarbonylContact O-C 3.43Å; V86-V107 WeakPolarHBondContact O-CA 3.3Å; V86-Y108 HydrophobicContact CG2-CD1 4.41Å; V86-Y108 PolarHBondContact N-O 3.36Å; V86-Y108 VanDerWaalsContact N-O 3.12Å; V86-Y108 PolarHBondContact O-N 3.04Å |
| 87 | F | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.7 | 178.2 | -66.9 | -91.6 | 0 | 0 | 0 | 110.1 | F36 V51 C52 F53 I54 L85 L105 V107 A171 L174 C175 | F36-F87 HydrophobicContact CE2-CB 3.96Å; F36-F87 HydrophobicContact CZ-CB 4.26Å; V51-F87 HydrophobicContact CG2-CD2 3.68Å; V51-F87 HydrophobicContact CG2-CE2 3.56Å; C52-F87 PolarHBondContact O-N 3.38Å; F53-F87 HydrophobicContact CD1-CB 3.78Å; F53-F87 AromaticContact CD1-CD2 3.8Å; F53-F87 HydrophobicContact CD1-CD2 3.8Å; F53-F87 AromaticContact CD1-CG 3.92Å; F53-F87 HydrophobicContact CD1-CG 3.92Å; F53-F87 HydrophobicContact CE1-CB 4.25Å; F53-F87 AromaticContact CE1-CD2 3.51Å; F53-F87 HydrophobicContact CE1-CD2 3.51Å; F53-F87 AromaticContact CE1-CE2 3.96Å; F53-F87 HydrophobicContact CE1-CE2 3.96Å; F53-F87 AromaticContact CE1-CG 3.86Å; F53-F87 HydrophobicContact CE1-CG 3.86Å; F53-F87 HydrophobicContact CZ-CD2 4.12Å; F53-F87 HydrophobicContact CZ-CE2 4.27Å; I54-F87 WeakPolarHBondContact CB-O 3.27Å; I54-F87 PolarHBondContact N-O 2.89Å; L85-F87 HydrophobicContact CB-CE2 3.9Å; L85-F87 HydrophobicContact CD1-CE2 4.05Å; L85-F87 HydrophobicContact CD1-CZ 4.17Å; L85-F87 HydrophobicContact CG-CE2 4.49Å; F87-L105 HydrophobicContact CB-CD1 4.43Å; F87-L105 HydrophobicContact CD1-CD1 4.25Å; F87-L105 HydrophobicContact CD1-CD2 4.24Å; F87-V107 HydrophobicContact CD1-CB 4.34Å; F87-V107 HydrophobicContact CD1-CG1 3.92Å; F87-V107 HydrophobicContact CD1-CG2 3.55Å; F87-V107 HydrophobicContact CE1-CB 4.38Å; F87-V107 HydrophobicContact CE1-CG1 3.71Å; F87-V107 HydrophobicContact CE1-CG2 3.69Å; F87-V107 HydrophobicContact CG-CG1 4.43Å; F87-V107 HydrophobicContact CZ-CG1 4.06Å; F87-A171 HydrophobicContact CD1-CB 3.96Å; F87-A171 HydrophobicContact CE1-CB 4.37Å; F87-L174 HydrophobicContact CE1-CB 3.86Å; F87-L174 HydrophobicContact CE1-CD1 4.26Å; F87-L174 HydrophobicContact CZ-CB 4.1Å; F87-C175 HydrophobicContact CE2-CB 4.23Å; F87-C175 HydrophobicContact CZ-CB 4.06Å |
| 88 | L | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 123 | 178 | -55.2 | 95.1 | 0 | 0 | 0 | 110.1 | I54 A59 I62 V86 L106 V132 L136 | I54-L88 HydrophobicContact CB-CB 4.48Å; I54-L88 HydrophobicContact CB-CD2 4.13Å; I54-L88 HydrophobicContact CB-CG 3.9Å; I54-L88 HydrophobicContact CG1-CD2 4.02Å; I54-L88 HydrophobicContact CG1-CG 3.85Å; I54-L88 HydrophobicContact CG2-CD2 4.09Å; I54-L88 HydrophobicContact CG2-CG 4.37Å; A59-L88 HydrophobicContact CB-CB 4.35Å; I62-L88 HydrophobicContact CD1-CD2 3.8Å; V86-L88 HydrophobicContact CB-CD1 4.43Å; V86-L88 HydrophobicContact CG1-CD1 3.83Å; V86-L88 HydrophobicContact CG1-CG 4.37Å; L88-L106 HydrophobicContact CB-CB 4.44Å; L88-L106 PolarHBondContact N-O 3.12Å; L88-L106 PolarHBondContact O-N 2.96Å; L88-V132 HydrophobicContact CD2-CG1 3.93Å; L88-L136 HydrophobicContact CD1-CD2 3.63Å; L88-L136 HydrophobicContact CD2-CD2 3.91Å; L88-L136 HydrophobicContact CG-CD2 4.43Å |
| 89 | P | 98.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.2 | 168.8 | 33.8 | -31.1 | 0 | 0 | 0 | 108.2 | I32 F36 I54 P56 A59 W103 V167 | I32-P89 HydrophobicContact CG2-CB 3.83Å; I32-P89 HydrophobicContact CG2-CG 4.09Å; F36-P89 HydrophobicContact CE2-CG 4.17Å; I54-P89 WeakPolarHBondContact O-CD 3.4Å; P56-P89 HydrophobicContact CB-CG 4.11Å; P56-P89 HydrophobicContact CG-CG 3.76Å; A59-P89 WeakPolarHBondContact CB-O 3.44Å; P89-W103 HydrophobicContact CB-CE3 4.28Å; P89-W103 HydrophobicContact CB-CZ3 4.26Å; P89-V167 HydrophobicContact CB-CG1 3.85Å |
| 90 | V | 98.4 | Very high | 93 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.6 | -179.7 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | W103 S104 L106 N125 H128 A129 | V90-W103 WeakPolarHBondContact O-CA 3.43Å; V90-S104 PolarHBondContact N-O 3.42Å; V90-S104 PolarHBondContact O-N 3.23Å; V90-L106 HydrophobicContact CG2-CB 3.69Å; V90-N125 VanDerWaalsContact C-ND2 3.35Å; V90-N125 WeakPolarHBondContact CG1-ND2 3.17Å; V90-N125 PolarHBondContact O-ND2 3.24Å; V90-H128 HydrophobicContact CG1-CB 3.7Å; V90-A129 HydrophobicContact CG1-CB 4.39Å; V90-A129 HydrophobicContact CG2-CB 4.41Å |
| 91 | N | 98.1 | Very high | 93 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 153.6 | 172.5 | -161.6 | -90.6 | 0 | 0 | 0 | 110.5 | K63 N93 G100 H102 W103 | K63-N91 PolarHBondContact NZ-O 2.93Å; N91-N93 WeakPolarHBondContact OD1-CA 3.29Å; N91-N93 WeakPolarHBondContact OD1-CB 3.36Å; N91-N93 PolarHBondContact OD1-N 3.26Å; N91-G100 WeakPolarHBondContact OD1-CA 3.23Å; N91-H102 WeakPolarHBondContact CA-O 3.5Å; N91-H102 PolarHBondContact ND2-O 2.9Å; N91-W103 HydrophobicContact CB-CD2 4.4Å; N91-W103 HydrophobicContact CB-CE3 3.8Å; N91-W103 HydrophobicContact CB-CH2 3.77Å; N91-W103 HydrophobicContact CB-CZ2 4.38Å; N91-W103 HydrophobicContact CB-CZ3 3.48Å; N91-W103 VanDerWaalsContact CB-CZ3 3.48Å; N91-W103 VanDerWaalsContact ND2-CD2 3.31Å; N91-W103 WeakPolarHBondContact ND2-CH2 3.29Å; N91-W103 WeakPolarHBondContact ND2-CZ2 3.31Å |
| 92 | D | 96.2 | Very high | 93.3 | Very high | 31 Ų | 31 | 48 Ų | 48 | 17% | 0.166 | 29% | 0.294 | C | S | . | . | trans | -86.3 | -5.3 | 175.4 | 63.5 | -7.4 | 0 | 0 | 0 | 113.9 | G100 T101 H102 N125 H128 | D92-G100 VanDerWaalsContact OD1-CA 3.29Å; D92-G100 WeakPolarHBondContact OD1-CA 3.48Å; D92-T101 PolarHBondContact OD1-N 3.11Å; D92-T101 PolarHBondContact OD2-N 2.85Å; D92-T101 PolarHBondContact OD2-OG1 2.8Å; D92-H102 PolarHBondContact N-O 2.74Å; D92-H102 PolarHBondContact OD1-N 2.82Å; D92-H102 VanDerWaalsContact OD1-N 3.11Å; D92-H102 PolarHBondContact OD2-N 3.44Å; D92-N125 WeakPolarHBondContact CB-OD1 3.46Å; D92-N125 PolarHBondContact N-OD1 2.87Å; D92-H128 PolarHBondContact O-CE1 3.45Å; D92-H128 PolarHBondContact O-NE2 3.02Å | ||
| 93 | N | 95.4 | Very high | 93.6 | Very high | 31 Ų | 31 | 43.2 Ų | 43.2 | 17% | 0.166 | 27% | 0.271 | C | S | . | . | trans | -57.6 | 141.6 | -177.5 | -169.2 | 25.8 | 0 | 0 | 0 | 112.8 | Q60 K63 N91 A97 G99 | Q60-N93 PolarHBondContact NE2-O 2.91Å; K63-N93 WeakPolarHBondContact CE-O 3.32Å; K63-N93 PolarHBondContact NZ-O 3.26Å; N91-N93 WeakPolarHBondContact OD1-CA 3.29Å; N91-N93 WeakPolarHBondContact OD1-CB 3.36Å; N91-N93 PolarHBondContact OD1-N 3.26Å; N93-A97 PolarHBondContact ND2-O 3.32Å; N93-A97 PolarHBondContact OD1-O 2.84Å; N93-G99 WeakPolarHBondContact CB-O 3.27Å; N93-G99 PolarHBondContact ND2-N 2.87Å; N93-G99 PolarHBondContact ND2-O 2.85Å | ||
| 94 | S | 87.2 | Confident | 93.7 | Very high | 59 Ų | 59 | 42.2 Ų | 42.2 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | trans | -71.7 | -177.7 | 168 | 78.4 | 0 | 0 | 0 | 0 | 111.6 | Q60 Q96 | Q60-S94 PolarHBondContact NE2-O 3.46Å; S94-Q96 PolarHBondContact OG-N 3.05Å | ||
| 95 | N | 80.3 | Confident | 93.9 | Very high | 119 Ų | 119 | 38.6 Ų | 38.6 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -95.9 | 6.5 | 174.9 | 64.9 | -13 | 0 | 0 | 0 | 113.9 | C64 | C64-N95 HydrophobicContact CB-CB 4.21Š|
| 96 | Q | 79.1 | Confident | 94 | Very high | 174 Ų | 174 | 38.6 Ų | 38.6 | 81% | 0.813 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -90 | -28.9 | -171.2 | -62.7 | -177.9 | 19.6 | 0 | 0 | 113.8 | S94 | S94-Q96 PolarHBondContact OG-N 3.05Š|
| 97 | A | 86.8 | Confident | 94 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -153.3 | 162.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N93 | N93-A97 PolarHBondContact ND2-O 3.32Å; N93-A97 PolarHBondContact OD1-O 2.84Å |
| 98 | A | 86.7 | Confident | 93.9 | Very high | 108 Ų | 108 | 39.3 Ų | 39.3 | 89% | 0.893 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -63.1 | 136.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 99 | G | 91.7 | Very high | 93.7 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 54% | 0.536 | 26% | 0.255 | S | S | . | . | trans | 164.2 | -154.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | N93 | N93-G99 WeakPolarHBondContact CB-O 3.27Å; N93-G99 PolarHBondContact ND2-N 2.87Å; N93-G99 PolarHBondContact ND2-O 2.85Å | ||
| 100 | G | 92.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | trans | 117.3 | 137.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N91 D92 | N91-G100 WeakPolarHBondContact OD1-CA 3.23Å; D92-G100 VanDerWaalsContact OD1-CA 3.29Å; D92-G100 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 101 | T | 94.7 | Very high | 93 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 55% | 0.546 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -116.2 | -13.1 | 179.9 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | W26 D92 | W26-T101 HydrophobicContact CH2-CG2 4.47Å; W26-T101 HydrophobicContact CZ3-CG2 4.28Å; D92-T101 PolarHBondContact OD1-N 3.11Å; D92-T101 PolarHBondContact OD2-N 2.85Å; D92-T101 PolarHBondContact OD2-OG1 2.8Å |
| 102 | H | 97.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | trans | -148.1 | 142.5 | -177.1 | -166 | 47.9 | 0 | 0 | 0 | 113.2 | N91 D92 D119 C163 | N91-H102 WeakPolarHBondContact CA-O 3.5Å; N91-H102 PolarHBondContact ND2-O 2.9Å; D92-H102 PolarHBondContact N-O 2.74Å; D92-H102 PolarHBondContact OD1-N 2.82Å; D92-H102 VanDerWaalsContact OD1-N 3.11Å; D92-H102 PolarHBondContact OD2-N 3.44Å; H102-D119 IonicContact CD2-OD1 2.73Å; H102-D119 IonicContact CE1-OD1 2.64Å; H102-D119 IonicContact NE2-OD1 3.66Å; H102-D119 PolarHBondContact NE2-OD1 2.88Å; H102-D119 IonicContact NE2-OD2 3.59Å; H102-C163 VanDerWaalsContact CE1-CB 3.41Å; H102-C163 WeakPolarHBondContact CE1-CB 3.47Å; H102-C163 VanDerWaalsContact ND1-CB 3.29Å; H102-C163 WeakPolarHBondContact ND1-CB 3.44Å | ||
| 103 | W | 98.4 | Very high | 92 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 11% | 0.106 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.8 | 174.1 | -70.6 | 108.1 | 0 | 0 | 0 | 110.1 | L27 D29 I32 P56 P89 V90 N91 C163 V167 | L27-W103 PolarHBondContact O-NE1 3.23Å; L27-W103 VanDerWaalsContact O-NE1 3.1Å; D29-W103 HydrophobicContact CB-CH2 4.42Å; D29-W103 HydrophobicContact CB-CZ2 4.46Å; I32-W103 HydrophobicContact CD1-CD2 3.53Å; I32-W103 HydrophobicContact CD1-CE3 4.02Å; I32-W103 HydrophobicContact CD1-CG 3.76Å; I32-W103 HydrophobicContact CD1-CZ2 4.13Å; I32-W103 HydrophobicContact CD1-CZ3 4.48Å; P56-W103 HydrophobicContact CB-CH2 3.79Å; P56-W103 HydrophobicContact CB-CZ3 4.06Å; P89-W103 HydrophobicContact CB-CE3 4.28Å; P89-W103 HydrophobicContact CB-CZ3 4.26Å; V90-W103 WeakPolarHBondContact O-CA 3.43Å; N91-W103 HydrophobicContact CB-CD2 4.4Å; N91-W103 HydrophobicContact CB-CE3 3.8Å; N91-W103 HydrophobicContact CB-CH2 3.77Å; N91-W103 HydrophobicContact CB-CZ2 4.38Å; N91-W103 HydrophobicContact CB-CZ3 3.48Å; N91-W103 VanDerWaalsContact CB-CZ3 3.48Å; N91-W103 VanDerWaalsContact ND2-CD2 3.31Å; N91-W103 WeakPolarHBondContact ND2-CH2 3.29Å; N91-W103 WeakPolarHBondContact ND2-CZ2 3.31Å; W103-C163 HydrophobicContact CB-CB 4.37Å; W103-V167 HydrophobicContact CB-CG2 3.88Å |
| 104 | S | 98.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 171.7 | 169 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | V90 H117 Y118 N125 V167 | V90-S104 PolarHBondContact N-O 3.42Å; V90-S104 PolarHBondContact O-N 3.23Å; S104-H117 VanDerWaalsContact CB-NE2 3.31Å; S104-H117 WeakPolarHBondContact CB-NE2 2.96Å; S104-H117 PolarHBondContact OG-NE2 2.84Å; S104-Y118 WeakPolarHBondContact CB-O 3.27Å; S104-N125 VanDerWaalsContact OG-CB 3.28Å; S104-N125 WeakPolarHBondContact OG-CB 3.34Å; S104-N125 PolarHBondContact OG-ND2 3.48Å; S104-V167 WeakPolarHBondContact O-CG2 3.43Å |
| 105 | L | 98.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.4 | -177.9 | 179 | 70.5 | 0 | 0 | 0 | 110.3 | F36 F87 V107 H117 Y118 V167 N170 A171 L174 | F36-L105 HydrophobicContact CZ-CD1 3.92Å; F87-L105 HydrophobicContact CB-CD1 4.43Å; F87-L105 HydrophobicContact CD1-CD1 4.25Å; F87-L105 HydrophobicContact CD1-CD2 4.24Å; L105-V107 HydrophobicContact CD1-CG2 4.43Å; L105-V107 HydrophobicContact CD2-CG2 3.8Å; L105-V107 HydrophobicContact CG-CG2 3.79Å; L105-H117 WeakPolarHBondContact O-CA 3.32Å; L105-H117 PolarHBondContact O-CD2 3.17Å; L105-Y118 PolarHBondContact N-O 3.39Å; L105-Y118 PolarHBondContact O-N 3.39Å; L105-V167 HydrophobicContact CB-CG1 4.26Å; L105-V167 HydrophobicContact CB-CG2 4.36Å; L105-V167 HydrophobicContact CD1-CG1 4.09Å; L105-N170 HydrophobicContact CD2-CB 3.67Å; L105-A171 HydrophobicContact CD1-CB 4.29Å; L105-A171 HydrophobicContact CD2-CB 4.02Å; L105-L174 HydrophobicContact CD2-CD1 4.1Å |
| 106 | L | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.3 | 168.2 | -177.2 | 68.7 | 0 | 0 | 0 | 109.1 | L88 V90 F115 H117 V132 A133 F149 | L88-L106 HydrophobicContact CB-CB 4.44Å; L88-L106 PolarHBondContact N-O 3.12Å; L88-L106 PolarHBondContact O-N 2.96Å; V90-L106 HydrophobicContact CG2-CB 3.69Å; L106-F115 HydrophobicContact CD1-CB 4Å; L106-F115 HydrophobicContact CD1-CD1 4.17Å; L106-F115 HydrophobicContact CD2-CD1 4.19Å; L106-F115 HydrophobicContact CG-CD1 4.18Å; L106-H117 HydrophobicContact CD1-CB 4.29Å; L106-V132 HydrophobicContact CD2-CB 4.07Å; L106-V132 HydrophobicContact CD2-CG1 3.81Å; L106-A133 HydrophobicContact CD1-CB 4.49Å; L106-A133 HydrophobicContact CD2-CB 3.99Å; L106-F149 HydrophobicContact CD1-CE2 3.89Å |
| 107 | V | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.9 | 178.2 | -168.8 | 0 | 0 | 0 | 0 | 109.6 | L85 V86 F87 L105 F109 F115 A116 Y118 L174 | L85-V107 HydrophobicContact CD2-CG1 4.11Å; V86-V107 CarbonylContact O-C 3.43Å; V86-V107 WeakPolarHBondContact O-CA 3.3Å; F87-V107 HydrophobicContact CD1-CB 4.34Å; F87-V107 HydrophobicContact CD1-CG1 3.92Å; F87-V107 HydrophobicContact CD1-CG2 3.55Å; F87-V107 HydrophobicContact CE1-CB 4.38Å; F87-V107 HydrophobicContact CE1-CG1 3.71Å; F87-V107 HydrophobicContact CE1-CG2 3.69Å; F87-V107 HydrophobicContact CG-CG1 4.43Å; F87-V107 HydrophobicContact CZ-CG1 4.06Å; L105-V107 HydrophobicContact CD1-CG2 4.43Å; L105-V107 HydrophobicContact CD2-CG2 3.8Å; L105-V107 HydrophobicContact CG-CG2 3.79Å; V107-F109 HydrophobicContact CB-CD2 4.46Å; V107-F109 HydrophobicContact CB-CE2 3.85Å; V107-F109 HydrophobicContact CB-CZ 4.47Å; V107-F109 HydrophobicContact CG1-CD2 4.11Å; V107-F109 HydrophobicContact CG1-CE2 3.6Å; V107-F109 HydrophobicContact CG1-CZ 3.88Å; V107-F115 CarbonylContact O-C 3.59Å; V107-F115 WeakPolarHBondContact O-CA 3.44Å; V107-A116 PolarHBondContact N-O 3.29Å; V107-A116 PolarHBondContact O-N 3.26Å; V107-Y118 HydrophobicContact CB-CE2 4.48Å; V107-Y118 HydrophobicContact CG2-CD2 4.1Å; V107-Y118 HydrophobicContact CG2-CE2 4.02Å; V107-L174 HydrophobicContact CG2-CD1 4Å |
| 108 | Y | 97.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.8 | 169.9 | 177.9 | -109.5 | 0 | 0 | 0 | 110.2 | L85 V86 R110 F115 L140 | L85-Y108 WeakPolarHBondContact CA-O 3.49Å; V86-Y108 HydrophobicContact CG2-CD1 4.41Å; V86-Y108 PolarHBondContact N-O 3.36Å; V86-Y108 VanDerWaalsContact N-O 3.12Å; V86-Y108 PolarHBondContact O-N 3.04Å; Y108-R110 HydrophobicContact CE1-CB 3.85Å; Y108-R110 HydrophobicContact CE1-CG 4.43Å; Y108-F115 AromaticContact CD2-CD1 3.94Å; Y108-F115 HydrophobicContact CD2-CD1 3.94Å; Y108-F115 HydrophobicContact CD2-CD2 4.16Å; Y108-F115 AromaticContact CD2-CE1 3.57Å; Y108-F115 HydrophobicContact CD2-CE1 3.57Å; Y108-F115 AromaticContact CD2-CE2 3.81Å; Y108-F115 HydrophobicContact CD2-CE2 3.81Å; Y108-F115 HydrophobicContact CD2-CG 4.23Å; Y108-F115 AromaticContact CD2-CZ 3.5Å; Y108-F115 HydrophobicContact CD2-CZ 3.5Å; Y108-F115 HydrophobicContact CE2-CE2 4.13Å; Y108-F115 HydrophobicContact CE2-CZ 4.09Å; Y108-F115 HydrophobicContact CG-CD1 4.4Å; Y108-F115 AromaticContact CG-CE1 3.93Å; Y108-F115 HydrophobicContact CG-CE1 3.93Å; Y108-F115 HydrophobicContact CG-CZ 4.18Å; Y108-L140 HydrophobicContact CD1-CD1 3.74Å; Y108-L140 HydrophobicContact CD2-CD1 4.18Å; Y108-L140 HydrophobicContact CE1-CD1 3.62Å; Y108-L140 HydrophobicContact CE2-CD1 4.07Å; Y108-L140 HydrophobicContact CG-CD1 4.02Å |
| 109 | F | 95.1 | Very high | 95 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 5% | 0.053 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.4 | 172.4 | -67.1 | -96 | 0 | 0 | 0 | 109.1 | L85 V107 K113 Y114 A116 Y178 | L85-F109 HydrophobicContact CD2-CD1 3.28Å; L85-F109 HydrophobicContact CD2-CE1 3.37Å; L85-F109 HydrophobicContact CD2-CG 3.91Å; L85-F109 HydrophobicContact CD2-CZ 4.07Å; V107-F109 HydrophobicContact CB-CD2 4.46Å; V107-F109 HydrophobicContact CB-CE2 3.85Å; V107-F109 HydrophobicContact CB-CZ 4.47Å; V107-F109 HydrophobicContact CG1-CD2 4.11Å; V107-F109 HydrophobicContact CG1-CE2 3.6Å; V107-F109 HydrophobicContact CG1-CZ 3.88Å; F109-K113 WeakPolarHBondContact O-CA 3.32Å; F109-K113 PolarHBondContact O-N 2.97Å; F109-Y114 HydrophobicContact CB-CD1 3.75Å; F109-Y114 HydrophobicContact CB-CE1 3.51Å; F109-Y114 HydrophobicContact CD1-CE1 4.36Å; F109-Y114 HydrophobicContact CD2-CD1 4.15Å; F109-Y114 AromaticContact CD2-CE1 3.45Å; F109-Y114 HydrophobicContact CD2-CE1 3.45Å; F109-Y114 VanDerWaalsContact CD2-CE1 3.45Å; F109-Y114 HydrophobicContact CD2-CE2 4.17Å; F109-Y114 AromaticContact CD2-CZ 3.47Å; F109-Y114 VanDerWaalsContact CD2-CZ 3.47Å; F109-Y114 HydrophobicContact CE2-CE1 4.25Å; F109-Y114 HydrophobicContact CE2-CE2 4.5Å; F109-Y114 AromaticContact CE2-CZ 3.86Å; F109-Y114 HydrophobicContact CG-CD1 4.22Å; F109-Y114 AromaticContact CG-CE1 3.52Å; F109-Y114 HydrophobicContact CG-CE1 3.52Å; F109-Y114 AromaticContact CG-CZ 3.99Å; F109-Y114 PolarHBondContact N-O 2.87Å; F109-Y114 PolarHBondContact O-N 3.45Å; F109-A116 HydrophobicContact CD2-CB 4.2Å; F109-A116 HydrophobicContact CE2-CB 3.74Å; F109-Y178 HydrophobicContact CD1-CD2 4.28Å; F109-Y178 HydrophobicContact CD1-CE2 4.05Å; F109-Y178 HydrophobicContact CE1-CD2 4.06Å; F109-Y178 HydrophobicContact CE1-CE2 4.3Å |
| 110 | R | 92.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 29.6 Ų | 29.6 | 24% | 0.242 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -43.6 | -175.5 | 179.1 | 171.9 | -68.4 | -78.8 | -12.6 | 113.1 | L80 L81 K83 E84 Y108 K112 K113 | L80-R110 PolarHBondContact O-NH2 3.36Å; L81-R110 VanDerWaalsContact CA-NH2 3.33Å; L81-R110 PolarHBondContact O-NE 3Å; L81-R110 PolarHBondContact O-NH1 2.91Å; L81-R110 PolarHBondContact O-NH2 3.23Å; K83-R110 WeakPolarHBondContact O-CD 3.41Å; K83-R110 PolarHBondContact O-NE 3.43Å; E84-R110 WeakPolarHBondContact O-CB 3.44Å; E84-R110 PolarHBondContact O-N 3.49Å; Y108-R110 HydrophobicContact CE1-CB 3.85Å; Y108-R110 HydrophobicContact CE1-CG 4.43Å; R110-K112 VanDerWaalsContact C-N 3.3Å; R110-K112 PolarHBondContact O-N 3.45Å; R110-K113 WeakPolarHBondContact O-CG 3.48Å; R110-K113 PolarHBondContact O-N 2.93Å |
| 111 | D | 88.6 | Confident | 95.2 | Very high | 93 Ų | 93 | 33.2 Ų | 33.2 | 50% | 0.497 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -44.6 | -178.1 | 64.3 | -28.6 | 0 | 0 | 0 | 112.1 | ||
| 112 | K | 86.2 | Confident | 94.3 | Very high | 128 Ų | 128 | 34.1 Ų | 34.1 | 56% | 0.557 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9.8 | -177.6 | -70.4 | 162.8 | -175.3 | 176.7 | 0 | 113.2 | R110 Y114 | R110-K112 VanDerWaalsContact C-N 3.3Å; R110-K112 PolarHBondContact O-N 3.45Å; K112-Y114 HydrophobicContact CB-CD1 3.45Å; K112-Y114 VanDerWaalsContact CB-CD1 3.45Å; K112-Y114 HydrophobicContact CB-CE1 3.8Å; K112-Y114 HydrophobicContact CD-CD1 4.11Å; K112-Y114 HydrophobicContact CD-CE1 3.57Å; K112-Y114 HydrophobicContact CG-CD1 4.44Å; K112-Y114 HydrophobicContact CG-CE1 4.36Å; K112-Y114 PolarHBondContact O-N 3.37Å |
| 113 | K | 88 | Confident | 93.5 | Very high | 92 Ų | 92 | 39.9 Ų | 39.9 | 40% | 0.4 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 55.5 | -176.6 | -57.8 | 173.5 | 173.7 | 175.8 | 0 | 111.6 | F109 R110 G144 A147 T148 | F109-K113 WeakPolarHBondContact O-CA 3.32Å; F109-K113 PolarHBondContact O-N 2.97Å; R110-K113 WeakPolarHBondContact O-CG 3.48Å; R110-K113 PolarHBondContact O-N 2.93Å; K113-G144 WeakPolarHBondContact CD-O 3.31Å; K113-G144 WeakPolarHBondContact CE-O 2.89Å; K113-G144 PolarHBondContact NZ-O 3.13Å; K113-A147 WeakPolarHBondContact O-CA 3.41Å; K113-A147 WeakPolarHBondContact O-CB 3.42Å; K113-T148 PolarHBondContact O-N 2.89Å; K113-T148 VanDerWaalsContact O-N 3.12Å |
| 114 | Y | 93.3 | Very high | 93 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152.6 | 175.2 | 87.2 | -73.6 | 0 | 0 | 0 | 112.2 | F109 K112 A116 T148 I150 | F109-Y114 HydrophobicContact CB-CD1 3.75Å; F109-Y114 HydrophobicContact CB-CE1 3.51Å; F109-Y114 HydrophobicContact CD1-CE1 4.36Å; F109-Y114 HydrophobicContact CD2-CD1 4.15Å; F109-Y114 AromaticContact CD2-CE1 3.45Å; F109-Y114 HydrophobicContact CD2-CE1 3.45Å; F109-Y114 VanDerWaalsContact CD2-CE1 3.45Å; F109-Y114 HydrophobicContact CD2-CE2 4.17Å; F109-Y114 AromaticContact CD2-CZ 3.47Å; F109-Y114 VanDerWaalsContact CD2-CZ 3.47Å; F109-Y114 HydrophobicContact CE2-CE1 4.25Å; F109-Y114 HydrophobicContact CE2-CE2 4.5Å; F109-Y114 AromaticContact CE2-CZ 3.86Å; F109-Y114 HydrophobicContact CG-CD1 4.22Å; F109-Y114 AromaticContact CG-CE1 3.52Å; F109-Y114 HydrophobicContact CG-CE1 3.52Å; F109-Y114 AromaticContact CG-CZ 3.99Å; F109-Y114 PolarHBondContact N-O 2.87Å; F109-Y114 PolarHBondContact O-N 3.45Å; K112-Y114 HydrophobicContact CB-CD1 3.45Å; K112-Y114 VanDerWaalsContact CB-CD1 3.45Å; K112-Y114 HydrophobicContact CB-CE1 3.8Å; K112-Y114 HydrophobicContact CD-CD1 4.11Å; K112-Y114 HydrophobicContact CD-CE1 3.57Å; K112-Y114 HydrophobicContact CG-CD1 4.44Å; K112-Y114 HydrophobicContact CG-CE1 4.36Å; K112-Y114 PolarHBondContact O-N 3.37Å; Y114-A116 HydrophobicContact CD2-CB 4.23Å; Y114-A116 HydrophobicContact CE2-CB 3.55Å; Y114-T148 CarbonylContact C-O 3.6Å; Y114-T148 WeakPolarHBondContact CA-O 3.49Å; Y114-T148 VanDerWaalsContact CB-O 3.27Å; Y114-T148 WeakPolarHBondContact CB-O 3.34Å; Y114-I150 HydrophobicContact CD2-CB 4.15Å; Y114-I150 HydrophobicContact CD2-CD1 3.58Å; Y114-I150 HydrophobicContact CD2-CG1 3.87Å; Y114-I150 HydrophobicContact CE2-CB 4.41Å; Y114-I150 HydrophobicContact CE2-CD1 3.94Å; Y114-I150 HydrophobicContact CE2-CG1 4.44Å; Y114-I150 HydrophobicContact CG-CD1 4.32Å |
| 115 | F | 96.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.5 | 170.7 | -70.5 | -81.5 | 0 | 0 | 0 | 108.7 | L106 V107 Y108 A133 L136 E137 L140 A147 T148 F149 I150 | L106-F115 HydrophobicContact CD1-CB 4Å; L106-F115 HydrophobicContact CD1-CD1 4.17Å; L106-F115 HydrophobicContact CD2-CD1 4.19Å; L106-F115 HydrophobicContact CG-CD1 4.18Å; V107-F115 CarbonylContact O-C 3.59Å; V107-F115 WeakPolarHBondContact O-CA 3.44Å; Y108-F115 AromaticContact CD2-CD1 3.94Å; Y108-F115 HydrophobicContact CD2-CD1 3.94Å; Y108-F115 HydrophobicContact CD2-CD2 4.16Å; Y108-F115 AromaticContact CD2-CE1 3.57Å; Y108-F115 HydrophobicContact CD2-CE1 3.57Å; Y108-F115 AromaticContact CD2-CE2 3.81Å; Y108-F115 HydrophobicContact CD2-CE2 3.81Å; Y108-F115 HydrophobicContact CD2-CG 4.23Å; Y108-F115 AromaticContact CD2-CZ 3.5Å; Y108-F115 HydrophobicContact CD2-CZ 3.5Å; Y108-F115 HydrophobicContact CE2-CE2 4.13Å; Y108-F115 HydrophobicContact CE2-CZ 4.09Å; Y108-F115 HydrophobicContact CG-CD1 4.4Å; Y108-F115 AromaticContact CG-CE1 3.93Å; Y108-F115 HydrophobicContact CG-CE1 3.93Å; Y108-F115 HydrophobicContact CG-CZ 4.18Å; F115-A133 HydrophobicContact CB-CB 4.26Å; F115-A133 HydrophobicContact CD1-CB 3.9Å; F115-A133 HydrophobicContact CD2-CB 4.02Å; F115-A133 HydrophobicContact CE1-CB 4.22Å; F115-A133 HydrophobicContact CE2-CB 4.34Å; F115-A133 HydrophobicContact CG-CB 3.78Å; F115-A133 HydrophobicContact CZ-CB 4.42Å; F115-L136 HydrophobicContact CE1-CB 4.43Å; F115-L136 HydrophobicContact CE1-CD2 3.97Å; F115-L136 HydrophobicContact CE1-CG 4.33Å; F115-L136 HydrophobicContact CZ-CB 4.39Å; F115-L136 HydrophobicContact CZ-CG 4.41Å; F115-E137 HydrophobicContact CE2-CB 3.94Å; F115-E137 HydrophobicContact CZ-CB 4.24Å; F115-L140 HydrophobicContact CZ-CD1 4.32Å; F115-A147 HydrophobicContact CD2-CB 3.74Å; F115-A147 HydrophobicContact CE2-CB 3.66Å; F115-T148 PolarHBondContact N-O 2.9Å; F115-F149 HydrophobicContact CB-CD2 3.89Å; F115-I150 PolarHBondContact O-N 2.94Å |
| 116 | A | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | V107 F109 Y114 Y118 E152 | V107-A116 PolarHBondContact N-O 3.29Å; V107-A116 PolarHBondContact O-N 3.26Å; F109-A116 HydrophobicContact CD2-CB 4.2Å; F109-A116 HydrophobicContact CE2-CB 3.74Å; Y114-A116 HydrophobicContact CD2-CB 4.23Å; Y114-A116 HydrophobicContact CE2-CB 3.55Å; A116-Y118 HydrophobicContact CB-CD2 4.31Å; A116-Y118 HydrophobicContact CB-CE2 3.54Å; A116-E152 HydrophobicContact CB-CG 3.84Å |
| 117 | H | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119 | 176.5 | -180 | -127.9 | 0 | 0 | 0 | 109.9 | S104 L105 L106 D119 A129 F149 I150 E151 E152 | S104-H117 VanDerWaalsContact CB-NE2 3.31Å; S104-H117 WeakPolarHBondContact CB-NE2 2.96Å; S104-H117 PolarHBondContact OG-NE2 2.84Å; L105-H117 WeakPolarHBondContact O-CA 3.32Å; L105-H117 PolarHBondContact O-CD2 3.17Å; L106-H117 HydrophobicContact CD1-CB 4.29Å; H117-D119 IonicContact CE1-OD2 2.68Å; H117-A129 HydrophobicContact CB-CB 4.41Å; H117-A129 WeakPolarHBondContact CD2-CB 3.42Å; H117-A129 WeakPolarHBondContact NE2-CB 3.46Å; H117-F149 HydrophobicContact CB-CE1 4.19Å; H117-F149 HydrophobicContact CB-CE2 4.14Å; H117-F149 HydrophobicContact CB-CZ 3.53Å; H117-I150 PolarHBondContact N-O 3.33Å; H117-E151 IonicContact CE1-OE2 3.38Å; H117-E151 IonicContact CG-OE2 3.65Å; H117-E151 IonicContact ND1-OE1 2.79Å; H117-E151 IonicContact ND1-OE2 3.55Å; H117-E151 PolarHBondContact ND1-OE2 3.5Å; H117-E152 WeakPolarHBondContact O-CB 3.11Å; H117-E152 PolarHBondContact O-N 2.98Å |
| 118 | Y | 97.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 4% | 0.043 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 108.6 | 178 | -61.8 | -94.2 | 0 | 0 | 0 | 109.2 | S104 L105 V107 A116 E152 A154 L174 L187 | S104-Y118 WeakPolarHBondContact CB-O 3.27Å; L105-Y118 PolarHBondContact N-O 3.39Å; L105-Y118 PolarHBondContact O-N 3.39Å; V107-Y118 HydrophobicContact CB-CE2 4.48Å; V107-Y118 HydrophobicContact CG2-CD2 4.1Å; V107-Y118 HydrophobicContact CG2-CE2 4.02Å; A116-Y118 HydrophobicContact CB-CD2 4.31Å; A116-Y118 HydrophobicContact CB-CE2 3.54Å; Y118-E152 HydrophobicContact CD1-CB 3.63Å; Y118-E152 HydrophobicContact CD1-CG 4.19Å; Y118-E152 HydrophobicContact CD2-CG 4.49Å; Y118-E152 HydrophobicContact CE1-CB 3.5Å; Y118-E152 VanDerWaalsContact CE1-CB 3.5Å; Y118-E152 HydrophobicContact CE1-CG 3.65Å; Y118-E152 HydrophobicContact CE2-CB 4.47Å; Y118-E152 HydrophobicContact CE2-CG 4.02Å; Y118-E152 HydrophobicContact CG-CB 4.17Å; Y118-A154 HydrophobicContact CD1-CB 4.04Å; Y118-A154 HydrophobicContact CG-CB 4.49Å; Y118-L174 HydrophobicContact CD2-CD1 3.89Å; Y118-L174 HydrophobicContact CE1-CD1 4.2Å; Y118-L174 HydrophobicContact CE1-CD2 4.36Å; Y118-L174 HydrophobicContact CE2-CD1 3.44Å; Y118-L174 VanDerWaalsContact CE2-CD1 3.44Å; Y118-L174 HydrophobicContact CE2-CD2 4.45Å; Y118-L174 HydrophobicContact CG-CD1 4.43Å; Y118-L174 WeakPolarHBondContact OH-CD2 3.35Å; Y118-L187 HydrophobicContact CD1-CD1 4.25Å; Y118-L187 HydrophobicContact CE1-CD1 3.6Å |
| 119 | D | 97.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | trans | -122.3 | 117.2 | -178.1 | -168.9 | -24.3 | 0 | 0 | 0 | 109.5 | H102 H117 H121 K123 S124 N125 | H102-D119 IonicContact CD2-OD1 2.73Å; H102-D119 IonicContact CE1-OD1 2.64Å; H102-D119 IonicContact NE2-OD1 3.66Å; H102-D119 PolarHBondContact NE2-OD1 2.88Å; H102-D119 IonicContact NE2-OD2 3.59Å; H117-D119 IonicContact CE1-OD2 2.68Å; D119-H121 PolarHBondContact O-N 2.69Å; D119-H121 WeakPolarHBondContact OD1-CA 3.3Å; D119-H121 PolarHBondContact OD1-N 2.83Å; D119-K123 WeakPolarHBondContact OD2-CA 3.33Å; D119-S124 PolarHBondContact OD2-N 3.19Å; D119-N125 PolarHBondContact OD2-N 2.59Å | ||
| 120 | S | 96.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -70.1 | -11.1 | 178.6 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | P155 A156 Q157 | S120-P155 WeakPolarHBondContact CA-O 3.28Å; S120-P155 WeakPolarHBondContact CB-O 3.47Å; S120-A156 WeakPolarHBondContact O-CA 3.25Å; S120-Q157 PolarHBondContact O-N 2.77Å; S120-Q157 PolarHBondContact OG-OE1 2.95Å |
| 121 | H | 91.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 55 Ų | 55 | 48% | 0.477 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -127.4 | 72.2 | 177.7 | -162 | 61.7 | 0 | 0 | 0 | 112 | D119 K123 S124 | D119-H121 PolarHBondContact O-N 2.69Å; D119-H121 WeakPolarHBondContact OD1-CA 3.3Å; D119-H121 PolarHBondContact OD1-N 2.83Å; H121-K123 PolarHBondContact O-N 2.79Å; H121-K123 VanDerWaalsContact O-N 3.12Å; H121-S124 VanDerWaalsContact O-CB 3.26Å; H121-S124 WeakPolarHBondContact O-CB 2.98Å; H121-S124 PolarHBondContact O-N 3.12Å |
| 122 | S | 76.8 | Confident | 93.3 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 76% | 0.762 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 53.5 | 160.1 | -64.3 | 0 | 0 | 0 | 0 | 116 | S124 | S122-S124 PolarHBondContact O-N 3.29Š|
| 123 | K | 80.9 | Confident | 93.8 | Very high | 131 Ų | 131 | 44.7 Ų | 44.7 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 19.5 | 174.3 | -57.7 | -177.3 | -172.8 | -172 | 0 | 114.5 | D119 H121 N125 S126 E151 | D119-K123 WeakPolarHBondContact OD2-CA 3.33Å; H121-K123 PolarHBondContact O-N 2.79Å; H121-K123 VanDerWaalsContact O-N 3.12Å; K123-N125 PolarHBondContact O-N 3.38Å; K123-S126 WeakPolarHBondContact CA-OG 3.43Å; K123-S126 WeakPolarHBondContact CB-OG 3.15Å; K123-S126 WeakPolarHBondContact O-CB 3.1Å; K123-S126 PolarHBondContact O-N 3.49Å; K123-S126 PolarHBondContact O-OG 2.79Å; K123-S126 VanDerWaalsContact O-OG 3.04Å; K123-E151 HydrophobicContact CD-CB 4.19Å; K123-E151 HydrophobicContact CD-CG 3.9Å; K123-E151 HydrophobicContact CG-CB 4.43Å; K123-E151 HydrophobicContact CG-CG 4.26Å |
| 124 | S | 86.4 | Confident | 94.2 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.5 | 179.5 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | D119 H121 S122 | D119-S124 PolarHBondContact OD2-N 3.19Å; H121-S124 VanDerWaalsContact O-CB 3.26Å; H121-S124 WeakPolarHBondContact O-CB 2.98Å; H121-S124 PolarHBondContact O-N 3.12Å; S122-S124 PolarHBondContact O-N 3.29Å |
| 125 | N | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 7.7 | -177.3 | -142.7 | 6.3 | 0 | 0 | 0 | 114.5 | V90 D92 S104 D119 K123 V127 H128 A129 | V90-N125 VanDerWaalsContact C-ND2 3.35Å; V90-N125 WeakPolarHBondContact CG1-ND2 3.17Å; V90-N125 PolarHBondContact O-ND2 3.24Å; D92-N125 WeakPolarHBondContact CB-OD1 3.46Å; D92-N125 PolarHBondContact N-OD1 2.87Å; S104-N125 VanDerWaalsContact OG-CB 3.28Å; S104-N125 WeakPolarHBondContact OG-CB 3.34Å; S104-N125 PolarHBondContact OG-ND2 3.48Å; D119-N125 PolarHBondContact OD2-N 2.59Å; K123-N125 PolarHBondContact O-N 3.38Å; N125-V127 VanDerWaalsContact C-N 3.28Å; N125-V127 PolarHBondContact O-N 2.78Å; N125-H128 PolarHBondContact O-N 2.96Å; N125-H128 VanDerWaalsContact O-N 3.1Å; N125-H128 WeakPolarHBondContact OD1-CB 3.26Å; N125-H128 PolarHBondContact OD1-CD2 3.29Å; N125-A129 PolarHBondContact O-N 3.48Å |
| 126 | S | 96.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -34.2 | -170 | -70.9 | 0 | 0 | 0 | 0 | 114.9 | K123 K130 E151 | K123-S126 WeakPolarHBondContact CA-OG 3.43Å; K123-S126 WeakPolarHBondContact CB-OG 3.15Å; K123-S126 WeakPolarHBondContact O-CB 3.1Å; K123-S126 PolarHBondContact O-N 3.49Å; K123-S126 PolarHBondContact O-OG 2.79Å; K123-S126 VanDerWaalsContact O-OG 3.04Å; S126-K130 WeakPolarHBondContact O-CB 3.37Å; S126-K130 VanDerWaalsContact O-CG 3.25Å; S126-K130 WeakPolarHBondContact O-CG 3.49Å; S126-K130 PolarHBondContact O-N 2.96Å; S126-E151 WeakPolarHBondContact CB-OE1 3.48Å; S126-E151 PolarHBondContact OG-OE1 2.95Å; S126-E151 PolarHBondContact OG-OE2 2.9Å |
| 127 | V | 96.9 | Very high | 94 | Very high | 108 Ų | 108 | 45 Ų | 45 | 66% | 0.655 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.4 | -46.8 | 178 | 175.9 | 0 | 0 | 0 | 0 | 110.1 | N125 K130 Q131 | N125-V127 VanDerWaalsContact C-N 3.28Å; N125-V127 PolarHBondContact O-N 2.78Å; V127-K130 PolarHBondContact O-N 3.27Å; V127-Q131 WeakPolarHBondContact O-CB 3.45Å; V127-Q131 PolarHBondContact O-N 3.08Å |
| 128 | H | 97.8 | Very high | 93.7 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 21% | 0.213 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 179.1 | -56.9 | -72.7 | 0 | 0 | 0 | 111.4 | K63 V90 D92 N125 K130 Q131 V132 | K63-H128 HydrophobicContact CD-CB 3.99Å; V90-H128 HydrophobicContact CG1-CB 3.7Å; D92-H128 PolarHBondContact O-CE1 3.45Å; D92-H128 PolarHBondContact O-NE2 3.02Å; N125-H128 PolarHBondContact O-N 2.96Å; N125-H128 VanDerWaalsContact O-N 3.1Å; N125-H128 WeakPolarHBondContact OD1-CB 3.26Å; N125-H128 PolarHBondContact OD1-CD2 3.29Å; H128-K130 PolarHBondContact O-N 3.48Å; H128-Q131 WeakPolarHBondContact O-CB 3.39Å; H128-Q131 PolarHBondContact O-N 2.88Å; H128-V132 WeakPolarHBondContact O-CG2 3.41Å; H128-V132 PolarHBondContact O-N 2.9Å |
| 129 | A | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V90 H117 N125 Q131 V132 A133 F149 | V90-A129 HydrophobicContact CG1-CB 4.39Å; V90-A129 HydrophobicContact CG2-CB 4.41Å; H117-A129 HydrophobicContact CB-CB 4.41Å; H117-A129 WeakPolarHBondContact CD2-CB 3.42Å; H117-A129 WeakPolarHBondContact NE2-CB 3.46Å; N125-A129 PolarHBondContact O-N 3.48Å; A129-Q131 VanDerWaalsContact C-N 3.33Å; A129-Q131 PolarHBondContact O-N 3.48Å; A129-V132 PolarHBondContact O-N 3.34Å; A129-A133 VanDerWaalsContact O-CB 3.27Å; A129-A133 WeakPolarHBondContact O-CB 3.13Å; A129-A133 PolarHBondContact O-N 3.1Å; A129-F149 HydrophobicContact CB-CE2 4.18Å; A129-F149 HydrophobicContact CB-CZ 4.06Å |
| 130 | K | 97.3 | Very high | 93 | Very high | 116 Ų | 116 | 49.1 Ų | 49.1 | 50% | 0.504 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 174.4 | -74.4 | 173.1 | -175.1 | 175 | 0 | 112.4 | S126 V127 H128 A133 G134 F149 | S126-K130 WeakPolarHBondContact O-CB 3.37Å; S126-K130 VanDerWaalsContact O-CG 3.25Å; S126-K130 WeakPolarHBondContact O-CG 3.49Å; S126-K130 PolarHBondContact O-N 2.96Å; V127-K130 PolarHBondContact O-N 3.27Å; H128-K130 PolarHBondContact O-N 3.48Å; K130-A133 PolarHBondContact O-N 3.21Å; K130-G134 PolarHBondContact O-N 2.9Å; K130-F149 HydrophobicContact CB-CE2 4.47Å; K130-F149 HydrophobicContact CD-CD1 4.46Å; K130-F149 HydrophobicContact CD-CE1 4.31Å; K130-F149 HydrophobicContact CG-CD1 3.94Å; K130-F149 HydrophobicContact CG-CD2 3.96Å; K130-F149 HydrophobicContact CG-CE1 3.72Å; K130-F149 HydrophobicContact CG-CE2 3.73Å; K130-F149 HydrophobicContact CG-CG 4.06Å; K130-F149 HydrophobicContact CG-CZ 3.6Å |
| 131 | Q | 96.8 | Very high | 92 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.7 | -176.9 | 178 | 4.1 | 0 | 0 | 111.6 | K63 V127 H128 A129 K135 | K63-Q131 HydrophobicContact CG-CG 4.29Å; K63-Q131 PolarHBondContact O-NE2 3.42Å; V127-Q131 WeakPolarHBondContact O-CB 3.45Å; V127-Q131 PolarHBondContact O-N 3.08Å; H128-Q131 WeakPolarHBondContact O-CB 3.39Å; H128-Q131 PolarHBondContact O-N 2.88Å; A129-Q131 VanDerWaalsContact C-N 3.33Å; A129-Q131 PolarHBondContact O-N 3.48Å; Q131-K135 PolarHBondContact O-N 2.88Å |
| 132 | V | 97.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | I62 K63 L88 L106 H128 A129 G134 K135 L136 | I62-V132 HydrophobicContact CG2-CG1 4.13Å; K63-V132 HydrophobicContact CB-CG2 3.65Å; K63-V132 HydrophobicContact CD-CG2 4.31Å; K63-V132 HydrophobicContact CG-CG2 3.87Å; L88-V132 HydrophobicContact CD2-CG1 3.93Å; L106-V132 HydrophobicContact CD2-CB 4.07Å; L106-V132 HydrophobicContact CD2-CG1 3.81Å; H128-V132 WeakPolarHBondContact O-CG2 3.41Å; H128-V132 PolarHBondContact O-N 2.9Å; A129-V132 PolarHBondContact O-N 3.34Å; V132-G134 VanDerWaalsContact C-N 3.35Å; V132-G134 PolarHBondContact O-N 2.87Å; V132-K135 PolarHBondContact O-N 3.33Å; V132-L136 WeakPolarHBondContact O-CB 3.32Å; V132-L136 PolarHBondContact O-N 3.1Å |
| 133 | A | 96.8 | Very high | 89.3 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57 | -44.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L106 F115 A129 K130 K135 L136 E137 F149 | L106-A133 HydrophobicContact CD1-CB 4.49Å; L106-A133 HydrophobicContact CD2-CB 3.99Å; F115-A133 HydrophobicContact CB-CB 4.26Å; F115-A133 HydrophobicContact CD1-CB 3.9Å; F115-A133 HydrophobicContact CD2-CB 4.02Å; F115-A133 HydrophobicContact CE1-CB 4.22Å; F115-A133 HydrophobicContact CE2-CB 4.34Å; F115-A133 HydrophobicContact CG-CB 3.78Å; F115-A133 HydrophobicContact CZ-CB 4.42Å; A129-A133 VanDerWaalsContact O-CB 3.27Å; A129-A133 WeakPolarHBondContact O-CB 3.13Å; A129-A133 PolarHBondContact O-N 3.1Å; K130-A133 PolarHBondContact O-N 3.21Å; A133-K135 PolarHBondContact O-N 3.48Å; A133-L136 PolarHBondContact O-N 2.91Å; A133-E137 WeakPolarHBondContact O-CB 3.48Å; A133-E137 PolarHBondContact O-N 2.74Å; A133-F149 HydrophobicContact CB-CD2 3.89Å; A133-F149 HydrophobicContact CB-CE2 4.19Å |
| 134 | G | 95.1 | Very high | 87.9 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K130 V132 A138 | K130-G134 PolarHBondContact O-N 2.9Å; V132-G134 VanDerWaalsContact C-N 3.35Å; V132-G134 PolarHBondContact O-N 2.87Å; G134-A138 WeakPolarHBondContact O-CB 3.43Å; G134-A138 PolarHBondContact O-N 3.44Å |
| 135 | K | 95.3 | Very high | 86.9 | Confident | 38 Ų | 38 | 55 Ų | 55 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.5 | -38.5 | 177.5 | -70.8 | 178 | 172 | -178.6 | 0 | 112.6 | I62 K63 A65 Q68 Q131 V132 A133 A138 F139 | I62-K135 HydrophobicContact CG2-CB 3.89Å; I62-K135 HydrophobicContact CG2-CD 4.42Å; I62-K135 WeakPolarHBondContact O-CD 3.49Å; I62-K135 WeakPolarHBondContact O-CE 3.31Å; I62-K135 PolarHBondContact O-NZ 2.9Å; K63-K135 PolarHBondContact O-NZ 3.21Å; A65-K135 VanDerWaalsContact O-CE 3.31Å; A65-K135 WeakPolarHBondContact O-CE 3.43Å; A65-K135 PolarHBondContact O-NZ 3.31Å; Q68-K135 PolarHBondContact NE2-O 2.91Å; Q131-K135 PolarHBondContact O-N 2.88Å; V132-K135 PolarHBondContact O-N 3.33Å; A133-K135 PolarHBondContact O-N 3.48Å; K135-A138 PolarHBondContact O-N 3.29Å; K135-F139 PolarHBondContact O-N 2.53Å |
| 136 | L | 94.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 174.4 | -174.3 | 57 | 0 | 0 | 0 | 110.7 | L75 L80 L88 F115 V132 A133 A138 F139 L140 | L75-L136 HydrophobicContact CD1-CD1 3.92Å; L80-L136 HydrophobicContact CD1-CD1 3.89Å; L88-L136 HydrophobicContact CD1-CD2 3.63Å; L88-L136 HydrophobicContact CD2-CD2 3.91Å; L88-L136 HydrophobicContact CG-CD2 4.43Å; F115-L136 HydrophobicContact CE1-CB 4.43Å; F115-L136 HydrophobicContact CE1-CD2 3.97Å; F115-L136 HydrophobicContact CE1-CG 4.33Å; F115-L136 HydrophobicContact CZ-CB 4.39Å; F115-L136 HydrophobicContact CZ-CG 4.41Å; V132-L136 WeakPolarHBondContact O-CB 3.32Å; V132-L136 PolarHBondContact O-N 3.1Å; A133-L136 PolarHBondContact O-N 2.91Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 2.79Å; L136-F139 HydrophobicContact CD1-CD1 4.27Å; L136-F139 WeakPolarHBondContact O-CB 3.09Å; L136-F139 PolarHBondContact O-N 2.73Å; L136-F139 VanDerWaalsContact O-N 3.13Å; L136-L140 HydrophobicContact CD1-CD1 4.31Å; L136-L140 HydrophobicContact CD1-CG 4.22Å; L136-L140 HydrophobicContact CG-CD1 3.88Å; L136-L140 HydrophobicContact CG-CG 4.26Å; L136-L140 VanDerWaalsContact O-CG 3.23Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 2.78Å |
| 137 | E | 93.3 | Very high | 85.9 | Confident | 60 Ų | 60 | 64 Ų | 64 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.7 | -46.4 | 173.1 | -177.2 | -176.2 | -142.2 | 0 | 0 | 111.7 | F115 A133 F139 L140 G141 K146 A147 | F115-E137 HydrophobicContact CE2-CB 3.94Å; F115-E137 HydrophobicContact CZ-CB 4.24Å; A133-E137 WeakPolarHBondContact O-CB 3.48Å; A133-E137 PolarHBondContact O-N 2.74Å; E137-F139 PolarHBondContact O-N 3.08Å; E137-L140 PolarHBondContact O-N 3.15Å; E137-G141 PolarHBondContact O-N 3.32Å; E137-K146 WeakPolarHBondContact OE1-CA 3.24Å; E137-A147 HydrophobicContact CG-CB 4.41Å; E137-A147 WeakPolarHBondContact OE1-CB 3.49Å; E137-A147 PolarHBondContact OE1-N 2.79Å |
| 138 | A | 91.6 | Very high | 85.7 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -33.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q68 G134 K135 L136 | Q68-A138 VanDerWaalsContact CD-CB 3.44Å; Q68-A138 HydrophobicContact CG-CB 4.18Å; G134-A138 WeakPolarHBondContact O-CB 3.43Å; G134-A138 PolarHBondContact O-N 3.44Å; K135-A138 PolarHBondContact O-N 3.29Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 2.79Å |
| 139 | F | 91.6 | Very high | 85.6 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.3 | -45.8 | 173 | 173.1 | -108.4 | 0 | 0 | 0 | 112.5 | Q68 A72 L75 L80 K135 L136 E137 G141 | Q68-F139 VanDerWaalsContact NE2-N 3.18Å; A72-F139 HydrophobicContact CB-CD2 3.74Å; A72-F139 HydrophobicContact CB-CE2 4.02Å; L75-F139 HydrophobicContact CB-CD1 4.1Å; L75-F139 HydrophobicContact CB-CD2 4.42Å; L75-F139 HydrophobicContact CB-CE1 3.68Å; L75-F139 HydrophobicContact CB-CE2 4.03Å; L75-F139 HydrophobicContact CB-CG 4.44Å; L75-F139 HydrophobicContact CB-CZ 3.63Å; L75-F139 HydrophobicContact CD1-CB 4.49Å; L75-F139 HydrophobicContact CD1-CD1 3.89Å; L75-F139 HydrophobicContact CD1-CE1 4.28Å; L75-F139 HydrophobicContact CD1-CG 4.12Å; L80-F139 HydrophobicContact CB-CE1 4.09Å; L80-F139 HydrophobicContact CD1-CD1 4.47Å; L80-F139 HydrophobicContact CD1-CE1 4.13Å; L80-F139 HydrophobicContact CG-CE1 4.33Å; K135-F139 PolarHBondContact O-N 2.53Å; L136-F139 HydrophobicContact CD1-CD1 4.27Å; L136-F139 WeakPolarHBondContact O-CB 3.09Å; L136-F139 PolarHBondContact O-N 2.73Å; L136-F139 VanDerWaalsContact O-N 3.13Å; E137-F139 PolarHBondContact O-N 3.08Å; F139-G141 PolarHBondContact O-N 2.79Å |
| 140 | L | 88.6 | Confident | 85.5 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -20.2 | -178.5 | -65.2 | 172 | 0 | 0 | 0 | 112.9 | L80 L81 Y108 F115 L136 E137 | L80-L140 HydrophobicContact CB-CD2 4.06Å; L81-L140 HydrophobicContact CD2-CD2 4.23Å; L81-L140 WeakPolarHBondContact CD2-O 3.46Å; Y108-L140 HydrophobicContact CD1-CD1 3.74Å; Y108-L140 HydrophobicContact CD2-CD1 4.18Å; Y108-L140 HydrophobicContact CE1-CD1 3.62Å; Y108-L140 HydrophobicContact CE2-CD1 4.07Å; Y108-L140 HydrophobicContact CG-CD1 4.02Å; F115-L140 HydrophobicContact CZ-CD1 4.32Å; L136-L140 HydrophobicContact CD1-CD1 4.31Å; L136-L140 HydrophobicContact CD1-CG 4.22Å; L136-L140 HydrophobicContact CG-CD1 3.88Å; L136-L140 HydrophobicContact CG-CG 4.26Å; L136-L140 VanDerWaalsContact O-CG 3.23Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 2.78Å; E137-L140 PolarHBondContact O-N 3.15Å |
| 141 | G | 73.5 | Confident | 85.4 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | trans | 99.6 | 153.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117 | E137 F139 K143 G144 | E137-G141 PolarHBondContact O-N 3.32Å; F139-G141 PolarHBondContact O-N 2.79Å; G141-K143 PolarHBondContact O-N 3.23Å; G141-K143 VanDerWaalsContact O-N 3.09Å; G141-G144 PolarHBondContact O-N 3.41Å | ||
| 142 | K | 57.1 | Low | 85.3 | Confident | 215 Ų | 215 | 61.8 Ų | 61.8 | 94% | 0.935 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -60.2 | -16.7 | -174.7 | -65.6 | 178.3 | 178.9 | 175.6 | 0 | 116 | G144 | K142-G144 PolarHBondContact O-N 3.4Š|
| 143 | K | 54.4 | Low | 85 | Confident | 219 Ų | 219 | 71.4 Ų | 71.4 | 95% | 0.952 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -73.5 | -15.6 | 178.5 | -70.8 | -174.5 | 178.9 | 178.7 | 0 | 112.8 | G141 | G141-K143 PolarHBondContact O-N 3.23Å; G141-K143 VanDerWaalsContact O-N 3.09Å |
| 144 | G | 52.2 | Low | 84.6 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -82.2 | -22.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K113 G141 K142 | K113-G144 WeakPolarHBondContact CD-O 3.31Å; K113-G144 WeakPolarHBondContact CE-O 2.89Å; K113-G144 PolarHBondContact NZ-O 3.13Å; G141-G144 PolarHBondContact O-N 3.41Å; K142-G144 PolarHBondContact O-N 3.4Å |
| 145 | G | 65 | Low | 84.5 | Confident | 52 Ų | 52 | 71.6 Ų | 71.6 | 54% | 0.536 | 37% | 0.374 | S | S | . | . | trans | 74.3 | 174.2 | -162.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A147 | G145-A147 PolarHBondContact O-N 2.88Š| ||
| 146 | K | 81.9 | Confident | 84.4 | Confident | 189 Ų | 189 | 72.3 Ų | 72.3 | 82% | 0.822 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 121.7 | -176.2 | -172.2 | 178.6 | -178.2 | 179.7 | 0 | 110.5 | E137 | E137-K146 WeakPolarHBondContact OE1-CA 3.24Š|
| 147 | A | 87.9 | Confident | 84.4 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 12% | 0.116 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 142.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | K113 F115 E137 G145 | K113-A147 WeakPolarHBondContact O-CA 3.41Å; K113-A147 WeakPolarHBondContact O-CB 3.42Å; F115-A147 HydrophobicContact CD2-CB 3.74Å; F115-A147 HydrophobicContact CE2-CB 3.66Å; E137-A147 HydrophobicContact CG-CB 4.41Å; E137-A147 WeakPolarHBondContact OE1-CB 3.49Å; E137-A147 PolarHBondContact OE1-N 2.79Å; G145-A147 PolarHBondContact O-N 2.88Å |
| 148 | T | 93 | Very high | 84.5 | Confident | 83 Ų | 83 | 77.4 Ų | 77.4 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.4 | 172.6 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | K113 Y114 F115 I150 | K113-T148 PolarHBondContact O-N 2.89Å; K113-T148 VanDerWaalsContact O-N 3.12Å; Y114-T148 CarbonylContact C-O 3.6Å; Y114-T148 WeakPolarHBondContact CA-O 3.49Å; Y114-T148 VanDerWaalsContact CB-O 3.27Å; Y114-T148 WeakPolarHBondContact CB-O 3.34Å; F115-T148 PolarHBondContact N-O 2.9Å; T148-I150 HydrophobicContact CG2-CD1 4.31Å; T148-I150 HydrophobicContact CG2-CG1 3.85Å |
| 149 | F | 95.9 | Very high | 84.8 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 24% | 0.237 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.9 | 170.4 | -179 | -79.4 | 0 | 0 | 0 | 108.9 | L106 F115 H117 A129 K130 A133 E151 | L106-F149 HydrophobicContact CD1-CE2 3.89Å; F115-F149 HydrophobicContact CB-CD2 3.89Å; H117-F149 HydrophobicContact CB-CE1 4.19Å; H117-F149 HydrophobicContact CB-CE2 4.14Å; H117-F149 HydrophobicContact CB-CZ 3.53Å; A129-F149 HydrophobicContact CB-CE2 4.18Å; A129-F149 HydrophobicContact CB-CZ 4.06Å; K130-F149 HydrophobicContact CB-CE2 4.47Å; K130-F149 HydrophobicContact CD-CD1 4.46Å; K130-F149 HydrophobicContact CD-CE1 4.31Å; K130-F149 HydrophobicContact CG-CD1 3.94Å; K130-F149 HydrophobicContact CG-CD2 3.96Å; K130-F149 HydrophobicContact CG-CE1 3.72Å; K130-F149 HydrophobicContact CG-CE2 3.73Å; K130-F149 HydrophobicContact CG-CG 4.06Å; K130-F149 HydrophobicContact CG-CZ 3.6Å; A133-F149 HydrophobicContact CB-CD2 3.89Å; A133-F149 HydrophobicContact CB-CE2 4.19Å; F149-E151 HydrophobicContact CE1-CG 4.07Å; F149-E151 VanDerWaalsContact CE1-OE1 3.27Å; F149-E151 WeakPolarHBondContact CE1-OE1 3.37Å |
| 150 | I | 95.4 | Very high | 85 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 34% | 0.344 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.5 | -176.4 | -56.8 | -174.5 | 0 | 0 | 0 | 109.2 | Y114 F115 H117 T148 | Y114-I150 HydrophobicContact CD2-CB 4.15Å; Y114-I150 HydrophobicContact CD2-CD1 3.58Å; Y114-I150 HydrophobicContact CD2-CG1 3.87Å; Y114-I150 HydrophobicContact CE2-CB 4.41Å; Y114-I150 HydrophobicContact CE2-CD1 3.94Å; Y114-I150 HydrophobicContact CE2-CG1 4.44Å; Y114-I150 HydrophobicContact CG-CD1 4.32Å; F115-I150 PolarHBondContact O-N 2.94Å; H117-I150 PolarHBondContact N-O 3.33Å; T148-I150 HydrophobicContact CG2-CD1 4.31Å; T148-I150 HydrophobicContact CG2-CG1 3.85Å |
| 151 | E | 96 | Very high | 85.4 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 19% | 0.187 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 110.1 | 165.8 | -61.8 | -71.6 | 178.8 | 0 | 0 | 108.3 | H117 K123 S126 F149 | H117-E151 IonicContact CE1-OE2 3.38Å; H117-E151 IonicContact CG-OE2 3.65Å; H117-E151 IonicContact ND1-OE1 2.79Å; H117-E151 IonicContact ND1-OE2 3.55Å; H117-E151 PolarHBondContact ND1-OE2 3.5Å; K123-E151 HydrophobicContact CD-CB 4.19Å; K123-E151 HydrophobicContact CD-CG 3.9Å; K123-E151 HydrophobicContact CG-CB 4.43Å; K123-E151 HydrophobicContact CG-CG 4.26Å; S126-E151 WeakPolarHBondContact CB-OE1 3.48Å; S126-E151 PolarHBondContact OG-OE1 2.95Å; S126-E151 PolarHBondContact OG-OE2 2.9Å; F149-E151 HydrophobicContact CE1-CG 4.07Å; F149-E151 VanDerWaalsContact CE1-OE1 3.27Å; F149-E151 WeakPolarHBondContact CE1-OE1 3.37Å |
| 152 | E | 94.5 | Very high | 86.5 | Confident | 63 Ų | 63 | 79.1 Ų | 79.1 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | trans | -77.3 | 154.6 | -177.3 | -73.7 | -70.8 | 171.8 | 0 | 0 | 111.7 | A116 H117 Y118 A154 | A116-E152 HydrophobicContact CB-CG 3.84Å; H117-E152 WeakPolarHBondContact O-CB 3.11Å; H117-E152 PolarHBondContact O-N 2.98Å; Y118-E152 HydrophobicContact CD1-CB 3.63Å; Y118-E152 HydrophobicContact CD1-CG 4.19Å; Y118-E152 HydrophobicContact CD2-CG 4.49Å; Y118-E152 HydrophobicContact CE1-CB 3.5Å; Y118-E152 VanDerWaalsContact CE1-CB 3.5Å; Y118-E152 HydrophobicContact CE1-CG 3.65Å; Y118-E152 HydrophobicContact CE2-CB 4.47Å; Y118-E152 HydrophobicContact CE2-CG 4.02Å; Y118-E152 HydrophobicContact CG-CB 4.17Å; E152-A154 PolarHBondContact O-N 3.45Å | ||
| 153 | K | 90.6 | Very high | 88.5 | Confident | 203 Ų | 203 | 69 Ų | 69 | 88% | 0.883 | 37% | 0.366 | S | S | * | . | trans | -77.6 | 76.9 | 168.1 | -69.2 | -176.6 | -178.9 | 178.8 | 0 | 108.7 | ||||
| 154 | A | 89.7 | Confident | 90.6 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 154.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y118 E152 A156 | Y118-A154 HydrophobicContact CD1-CB 4.04Å; Y118-A154 HydrophobicContact CG-CB 4.49Å; E152-A154 PolarHBondContact O-N 3.45Å; A154-A156 PolarHBondContact O-N 3.48Å |
| 155 | P | 92.8 | Very high | 92.8 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 13% | 0.13 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 125.7 | 168.9 | -28.1 | 39.8 | 0 | 0 | 0 | 111.3 | S120 Y166 L187 L190 | S120-P155 WeakPolarHBondContact CA-O 3.28Å; S120-P155 WeakPolarHBondContact CB-O 3.47Å; P155-Y166 HydrophobicContact CB-CD1 4Å; P155-Y166 HydrophobicContact CB-CE1 3.64Å; P155-L187 HydrophobicContact CG-CB 4.06Å; P155-L187 WeakPolarHBondContact CG-O 3.47Å; P155-L190 HydrophobicContact CB-CB 3.95Å; P155-L190 HydrophobicContact CG-CB 3.9Å; P155-L190 HydrophobicContact CG-CD1 4.18Å; P155-L190 HydrophobicContact CG-CG 4.43Å |
| 156 | A | 93.7 | Very high | 94.4 | Very high | 54 Ų | 54 | 55 Ų | 55 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 128.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S120 A154 Q158 Y166 | S120-A156 WeakPolarHBondContact O-CA 3.25Å; A154-A156 PolarHBondContact O-N 3.48Å; A156-Q158 PolarHBondContact O-NE2 3.41Å; A156-Y166 PolarHBondContact O-OH 3.05Å |
| 157 | Q | 94.2 | Very high | 95.2 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 147.2 | 173.6 | 70.9 | -169.2 | 78.2 | 0 | 0 | 111 | S120 N159 Y166 | S120-Q157 PolarHBondContact O-N 2.77Å; S120-Q157 PolarHBondContact OG-OE1 2.95Å; Q157-N159 WeakPolarHBondContact CG-O 3.38Å; Q157-N159 PolarHBondContact NE2-O 2.8Å; Q157-Y166 HydrophobicContact CB-CD2 3.9Å; Q157-Y166 HydrophobicContact CB-CE2 3.45Å; Q157-Y166 VanDerWaalsContact CB-CE2 3.45Å |
| 158 | Q | 96.1 | Very high | 95.7 | Very high | 146 Ų | 146 | 45.5 Ų | 45.5 | 68% | 0.682 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -110.2 | 11 | 177.5 | -57.8 | -59.1 | -42.8 | 0 | 0 | 112.6 | A156 P192 | A156-Q158 PolarHBondContact O-NE2 3.41Å; Q158-P192 HydrophobicContact CB-CG 4.05Å; Q158-P192 HydrophobicContact CG-CG 3.55Å |
| 159 | N | 96.2 | Very high | 95.9 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -141.3 | -174.2 | 178.2 | 63 | 47.9 | 0 | 0 | 0 | 110.2 | Q157 Y161 D162 | Q157-N159 WeakPolarHBondContact CG-O 3.38Å; Q157-N159 PolarHBondContact NE2-O 2.8Å; N159-Y161 HydrophobicContact CB-CD1 4.09Å; N159-Y161 HydrophobicContact CB-CE1 3.69Å; N159-Y161 WeakPolarHBondContact ND2-CE2 3.43Å; N159-Y161 PolarHBondContact OD1-N 2.66Å; N159-D162 PolarHBondContact ND2-OD2 3.29Å; N159-D162 WeakPolarHBondContact OD1-CB 3.46Å; N159-D162 PolarHBondContact OD1-N 2.7Å |
| 160 | S | 95.6 | Very high | 96 | Very high | 82 Ų | 82 | 39 Ų | 39 | 57% | 0.573 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -102.4 | 5.6 | -176.1 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | W26 | W26-S160 PolarHBondContact NE1-O 3.22Š|
| 161 | Y | 97.1 | Very high | 96.1 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -132.5 | -9.6 | -166.4 | 53.4 | -102.1 | 0 | 0 | 0 | 115.9 | P23 P24 W26 N159 R199 | P23-Y161 HydrophobicContact CB-CE2 3.91Å; P24-Y161 HydrophobicContact CB-CD1 3.44Å; P24-Y161 VanDerWaalsContact CB-CD1 3.44Å; P24-Y161 HydrophobicContact CB-CD2 4.44Å; P24-Y161 HydrophobicContact CB-CE1 3.39Å; P24-Y161 HydrophobicContact CB-CE2 4.43Å; P24-Y161 HydrophobicContact CB-CG 3.98Å; P24-Y161 WeakPolarHBondContact O-CB 3.34Å; W26-Y161 VanDerWaalsContact CD1-CA 3.43Å; N159-Y161 HydrophobicContact CB-CD1 4.09Å; N159-Y161 HydrophobicContact CB-CE1 3.69Å; N159-Y161 WeakPolarHBondContact ND2-CE2 3.43Å; N159-Y161 PolarHBondContact OD1-N 2.66Å; Y161-R199 PolarHBondContact O-NH2 2.87Å |
| 162 | D | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -91 | 3.2 | -175 | -80.8 | -25.2 | 0 | 0 | 0 | 115.5 | N159 G164 M165 Y166 I195 R199 | N159-D162 PolarHBondContact ND2-OD2 3.29Å; N159-D162 WeakPolarHBondContact OD1-CB 3.46Å; N159-D162 PolarHBondContact OD1-N 2.7Å; D162-G164 VanDerWaalsContact C-N 3.27Å; D162-G164 PolarHBondContact O-N 3.03Å; D162-M165 WeakPolarHBondContact O-CA 3.33Å; D162-M165 WeakPolarHBondContact O-CB 3.48Å; D162-M165 PolarHBondContact O-N 3.44Å; D162-Y166 HydrophobicContact CB-CD2 4.06Å; D162-Y166 HydrophobicContact CB-CE2 4.03Å; D162-Y166 WeakPolarHBondContact O-CD2 3.35Å; D162-Y166 PolarHBondContact O-N 2.84Å; D162-I195 HydrophobicContact CB-CG2 3.91Å; D162-R199 IonicContact OD1-CZ 3.2Å; D162-R199 IonicContact OD1-NE 3.63Å; D162-R199 PolarHBondContact OD1-NE 3.48Å; D162-R199 IonicContact OD1-NH2 2.82Å; D162-R199 PolarHBondContact OD1-NH2 3.34Å | ||
| 163 | C | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -50.8 | -44.8 | -178.9 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | H102 W103 M165 Y166 V167 | H102-C163 VanDerWaalsContact CE1-CB 3.41Å; H102-C163 WeakPolarHBondContact CE1-CB 3.47Å; H102-C163 VanDerWaalsContact ND1-CB 3.29Å; H102-C163 WeakPolarHBondContact ND1-CB 3.44Å; W103-C163 HydrophobicContact CB-CB 4.37Å; C163-M165 PolarHBondContact O-N 3.08Å; C163-Y166 PolarHBondContact O-N 2.94Å; C163-V167 PolarHBondContact O-N 3.23Å; C163-V167 VanDerWaalsContact O-N 3.1Å |
| 164 | G | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | D162 V167 I168 | D162-G164 VanDerWaalsContact C-N 3.27Å; D162-G164 PolarHBondContact O-N 3.03Å; G164-V167 WeakPolarHBondContact O-CB 3.39Å; G164-V167 PolarHBondContact O-N 3.05Å; G164-I168 PolarHBondContact O-N 3.4Å |
| 165 | M | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.6 | -36.9 | 175.3 | -78.4 | -61.3 | -54 | 0 | 0 | 112.2 | L21 L27 D162 C163 V167 I168 C169 I195 K198 R199 | L21-M165 HydrophobicContact CD2-SD 4.29Å; L27-M165 HydrophobicContact CD1-CG 3.84Å; L27-M165 HydrophobicContact CD1-SD 3.69Å; L27-M165 HydrophobicContact CG-CG 4.39Å; D162-M165 WeakPolarHBondContact O-CA 3.33Å; D162-M165 WeakPolarHBondContact O-CB 3.48Å; D162-M165 PolarHBondContact O-N 3.44Å; C163-M165 PolarHBondContact O-N 3.08Å; M165-V167 VanDerWaalsContact C-N 3.29Å; M165-V167 PolarHBondContact O-N 3.25Å; M165-I168 PolarHBondContact O-N 3.06Å; M165-I168 HydrophobicContact SD-CD1 4.45Å; M165-C169 WeakPolarHBondContact O-CB 3.48Å; M165-C169 PolarHBondContact O-N 3.31Å; M165-C169 PolarHBondContact O-SG 3.37Å; M165-I195 HydrophobicContact CB-CG2 3.58Å; M165-I195 HydrophobicContact CG-CG2 4.24Å; M165-K198 HydrophobicContact CE-CB 3.5Å; M165-R199 HydrophobicContact CE-CG 3.93Å; M165-R199 HydrophobicContact CG-CG 3.57Å; M165-R199 HydrophobicContact SD-CG 3.56Å; M165-R199 VanDerWaalsContact SD-CG 3.56Å |
| 166 | Y | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 172.9 | -83.2 | -81.3 | 0 | 0 | 0 | 111.3 | P155 A156 Q157 D162 C163 N170 L190 I195 | P155-Y166 HydrophobicContact CB-CD1 4Å; P155-Y166 HydrophobicContact CB-CE1 3.64Å; A156-Y166 PolarHBondContact O-OH 3.05Å; Q157-Y166 HydrophobicContact CB-CD2 3.9Å; Q157-Y166 HydrophobicContact CB-CE2 3.45Å; Q157-Y166 VanDerWaalsContact CB-CE2 3.45Å; D162-Y166 HydrophobicContact CB-CD2 4.06Å; D162-Y166 HydrophobicContact CB-CE2 4.03Å; D162-Y166 WeakPolarHBondContact O-CD2 3.35Å; D162-Y166 PolarHBondContact O-N 2.84Å; C163-Y166 PolarHBondContact O-N 2.94Å; Y166-N170 WeakPolarHBondContact O-CB 3.49Å; Y166-N170 PolarHBondContact O-N 3.48Å; Y166-N170 PolarHBondContact O-ND2 3.38Å; Y166-L190 HydrophobicContact CE1-CB 4.44Å; Y166-I195 HydrophobicContact CD1-CD1 4.04Å; Y166-I195 HydrophobicContact CD1-CG1 4.27Å; Y166-I195 HydrophobicContact CD2-CG1 4.37Å; Y166-I195 HydrophobicContact CE1-CD1 4.06Å; Y166-I195 HydrophobicContact CE1-CG1 3.82Å; Y166-I195 HydrophobicContact CE2-CG1 3.93Å; Y166-I195 HydrophobicContact CE2-CG2 4.41Å; Y166-I195 HydrophobicContact CG-CD1 4.28Å |
| 167 | V | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58 | -52.3 | 172.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | I32 F36 P89 W103 S104 L105 C163 G164 M165 A171 | I32-V167 HydrophobicContact CG2-CG1 4.27Å; F36-V167 HydrophobicContact CE1-CG1 4.38Å; F36-V167 HydrophobicContact CZ-CG1 4.28Å; P89-V167 HydrophobicContact CB-CG1 3.85Å; W103-V167 HydrophobicContact CB-CG2 3.88Å; S104-V167 WeakPolarHBondContact O-CG2 3.43Å; L105-V167 HydrophobicContact CB-CG1 4.26Å; L105-V167 HydrophobicContact CB-CG2 4.36Å; L105-V167 HydrophobicContact CD1-CG1 4.09Å; C163-V167 PolarHBondContact O-N 3.23Å; C163-V167 VanDerWaalsContact O-N 3.1Å; G164-V167 WeakPolarHBondContact O-CB 3.39Å; G164-V167 PolarHBondContact O-N 3.05Å; M165-V167 VanDerWaalsContact C-N 3.29Å; M165-V167 PolarHBondContact O-N 3.25Å; V167-A171 WeakPolarHBondContact O-CB 3.47Å; V167-A171 PolarHBondContact O-N 3.27Å |
| 168 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61 | -49.3 | -179.4 | -64.7 | 169.5 | 0 | 0 | 0 | 111 | L27 I31 I32 A35 F39 G164 M165 A171 E172 W202 | L27-I168 HydrophobicContact CD1-CD1 3.73Å; I31-I168 HydrophobicContact CG2-CD1 4.32Å; I32-I168 HydrophobicContact CG1-CD1 4.26Å; I32-I168 HydrophobicContact CG1-CG1 4.4Å; A35-I168 HydrophobicContact CB-CB 4.45Å; A35-I168 HydrophobicContact CB-CD1 3.83Å; A35-I168 HydrophobicContact CB-CG1 3.83Å; A35-I168 HydrophobicContact CB-CG2 3.8Å; F39-I168 HydrophobicContact CE2-CG2 4.22Å; F39-I168 HydrophobicContact CZ-CG2 3.83Å; G164-I168 PolarHBondContact O-N 3.4Å; M165-I168 PolarHBondContact O-N 3.06Å; M165-I168 HydrophobicContact SD-CD1 4.45Å; I168-A171 PolarHBondContact O-N 2.86Å; I168-E172 PolarHBondContact O-N 3.24Å; I168-W202 HydrophobicContact CG2-CZ2 3.53Å |
| 169 | C | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -71.7 | -35.6 | -175.3 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | M165 A173 L190 Y194 I195 | M165-C169 WeakPolarHBondContact O-CB 3.48Å; M165-C169 PolarHBondContact O-N 3.31Å; M165-C169 PolarHBondContact O-SG 3.37Å; C169-A173 VanDerWaalsContact O-CB 3.23Å; C169-A173 WeakPolarHBondContact O-CB 3.41Å; C169-A173 PolarHBondContact O-N 3.47Å; C169-L190 HydrophobicContact CB-CD1 4.06Å; C169-L190 HydrophobicContact CB-CD2 3.83Å; C169-Y194 HydrophobicContact CB-CE1 4.36Å; C169-I195 HydrophobicContact CB-CD1 3.77Å |
| 170 | N | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 172.7 | -77.2 | -44.8 | 0 | 0 | 0 | 110.5 | L105 Y166 A173 L174 L187 L190 | L105-N170 HydrophobicContact CD2-CB 3.67Å; Y166-N170 WeakPolarHBondContact O-CB 3.49Å; Y166-N170 PolarHBondContact O-N 3.48Å; Y166-N170 PolarHBondContact O-ND2 3.38Å; N170-A173 PolarHBondContact O-N 2.96Å; N170-L174 VanDerWaalsContact O-CB 3.29Å; N170-L174 WeakPolarHBondContact O-CB 3.47Å; N170-L174 WeakPolarHBondContact O-CD1 3.43Å; N170-L174 WeakPolarHBondContact O-CG 3.4Å; N170-L174 PolarHBondContact O-N 3.45Å; N170-L187 VanDerWaalsContact OD1-CD2 3.26Å; N170-L187 WeakPolarHBondContact OD1-CD2 3.47Å; N170-L190 HydrophobicContact CB-CD1 4.49Å; N170-L190 WeakPolarHBondContact OD1-CD1 3.26Å |
| 171 | A | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F36 F39 F87 L105 V167 I168 C175 | F36-A171 HydrophobicContact CE1-CB 3.83Å; F36-A171 HydrophobicContact CZ-CB 3.99Å; F39-A171 HydrophobicContact CE2-CB 4.17Å; F87-A171 HydrophobicContact CD1-CB 3.96Å; F87-A171 HydrophobicContact CE1-CB 4.37Å; L105-A171 HydrophobicContact CD1-CB 4.29Å; L105-A171 HydrophobicContact CD2-CB 4.02Å; V167-A171 WeakPolarHBondContact O-CB 3.47Å; V167-A171 PolarHBondContact O-N 3.27Å; I168-A171 PolarHBondContact O-N 2.86Å; A171-C175 VanDerWaalsContact O-CB 3.29Å; A171-C175 WeakPolarHBondContact O-CB 3.46Å; A171-C175 PolarHBondContact O-N 3.32Å |
| 172 | E | 97.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57 | -52.5 | 174.6 | 178.7 | 175.1 | -151.6 | 0 | 0 | 111.7 | F39 Q43 F44 I168 L174 C175 Q176 K198 | F39-E172 HydrophobicContact CE1-CB 4.1Å; F39-E172 HydrophobicContact CE1-CG 4.39Å; F39-E172 HydrophobicContact CE2-CB 4.37Å; F39-E172 HydrophobicContact CZ-CB 3.69Å; F39-E172 HydrophobicContact CZ-CG 4.45Å; Q43-E172 PolarHBondContact NE2-OE1 3.13Å; F44-E172 HydrophobicContact CZ-CG 4.44Å; I168-E172 PolarHBondContact O-N 3.24Å; E172-L174 PolarHBondContact O-N 3.18Å; E172-C175 PolarHBondContact O-N 2.96Å; E172-Q176 WeakPolarHBondContact O-CB 3.48Å; E172-Q176 VanDerWaalsContact O-CG 3.31Å; E172-Q176 WeakPolarHBondContact O-CG 3.39Å; E172-Q176 PolarHBondContact O-N 3.18Å; E172-Q176 PolarHBondContact OE1-NE2 3.25Å; E172-K198 IonicContact OE2-NZ 3.64Å |
| 173 | A | 95.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 7% | 0.066 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | C169 N170 G177 L186 L187 L190 | C169-A173 VanDerWaalsContact O-CB 3.23Å; C169-A173 WeakPolarHBondContact O-CB 3.41Å; C169-A173 PolarHBondContact O-N 3.47Å; N170-A173 PolarHBondContact O-N 2.96Å; A173-G177 PolarHBondContact O-N 3.4Å; A173-L186 HydrophobicContact CB-CB 3.81Å; A173-L186 WeakPolarHBondContact O-CD1 3.29Å; A173-L187 HydrophobicContact CB-CD2 4.3Å; A173-L190 HydrophobicContact CB-CD1 4.46Å |
| 174 | L | 95.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | -180 | -71.2 | 167.5 | 0 | 0 | 0 | 111.6 | F87 L105 V107 Y118 N170 E172 G177 Y178 L187 | F87-L174 HydrophobicContact CE1-CB 3.86Å; F87-L174 HydrophobicContact CE1-CD1 4.26Å; F87-L174 HydrophobicContact CZ-CB 4.1Å; L105-L174 HydrophobicContact CD2-CD1 4.1Å; V107-L174 HydrophobicContact CG2-CD1 4Å; Y118-L174 HydrophobicContact CD2-CD1 3.89Å; Y118-L174 HydrophobicContact CE1-CD1 4.2Å; Y118-L174 HydrophobicContact CE1-CD2 4.36Å; Y118-L174 HydrophobicContact CE2-CD1 3.44Å; Y118-L174 VanDerWaalsContact CE2-CD1 3.44Å; Y118-L174 HydrophobicContact CE2-CD2 4.45Å; Y118-L174 HydrophobicContact CG-CD1 4.43Å; Y118-L174 WeakPolarHBondContact OH-CD2 3.35Å; N170-L174 VanDerWaalsContact O-CB 3.29Å; N170-L174 WeakPolarHBondContact O-CB 3.47Å; N170-L174 WeakPolarHBondContact O-CD1 3.43Å; N170-L174 WeakPolarHBondContact O-CG 3.4Å; N170-L174 PolarHBondContact O-N 3.45Å; E172-L174 PolarHBondContact O-N 3.18Å; L174-G177 PolarHBondContact O-N 3.08Å; L174-Y178 WeakPolarHBondContact O-CB 3.46Å; L174-Y178 PolarHBondContact O-N 3.28Å; L174-L187 HydrophobicContact CD2-CD1 4.22Å; L174-L187 HydrophobicContact CD2-CD2 4.28Å; L174-L187 HydrophobicContact CD2-CG 4.48Å; L174-L187 HydrophobicContact CG-CD2 4.21Å |
| 175 | C | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -44.6 | 177.8 | -168 | 0 | 0 | 0 | 0 | 111.3 | F44 F53 F87 A171 E172 G177 Y178 F179 | F44-C175 HydrophobicContact CD1-CB 4.36Å; F44-C175 VanDerWaalsContact CD1-SG 3.54Å; F44-C175 HydrophobicContact CD2-CB 4.34Å; F44-C175 HydrophobicContact CE1-CB 3.94Å; F44-C175 HydrophobicContact CE2-CB 3.93Å; F44-C175 VanDerWaalsContact CG-SG 3.57Å; F44-C175 HydrophobicContact CZ-CB 3.7Å; F53-C175 HydrophobicContact CZ-CB 4.12Å; F87-C175 HydrophobicContact CE2-CB 4.23Å; F87-C175 HydrophobicContact CZ-CB 4.06Å; A171-C175 VanDerWaalsContact O-CB 3.29Å; A171-C175 WeakPolarHBondContact O-CB 3.46Å; A171-C175 PolarHBondContact O-N 3.32Å; E172-C175 PolarHBondContact O-N 2.96Å; C175-G177 PolarHBondContact O-N 3.25Å; C175-Y178 PolarHBondContact O-N 2.9Å; C175-F179 PolarHBondContact O-N 3.32Å; C175-F179 VanDerWaalsContact O-N 3.12Å |
| 176 | Q | 94.4 | Very high | 88.1 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 173.7 | -73.7 | -176.2 | 25.5 | 0 | 0 | 112.3 | F44 E172 R180 L186 | F44-Q176 HydrophobicContact CE1-CB 4.49Å; F44-Q176 HydrophobicContact CE1-CG 3.65Å; F44-Q176 HydrophobicContact CZ-CG 3.77Å; E172-Q176 WeakPolarHBondContact O-CB 3.48Å; E172-Q176 VanDerWaalsContact O-CG 3.31Å; E172-Q176 WeakPolarHBondContact O-CG 3.39Å; E172-Q176 PolarHBondContact O-N 3.18Å; E172-Q176 PolarHBondContact OE1-NE2 3.25Å; Q176-R180 WeakPolarHBondContact O-CA 3.38Å; Q176-R180 WeakPolarHBondContact O-CB 3.41Å; Q176-R180 PolarHBondContact O-N 3.24Å; Q176-L186 HydrophobicContact CB-CD1 3.94Å |
| 177 | G | 93.1 | Very high | 87.4 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.7 | -43.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | A173 L174 C175 G181 | A173-G177 PolarHBondContact O-N 3.4Å; L174-G177 PolarHBondContact O-N 3.08Å; C175-G177 PolarHBondContact O-N 3.25Å; G177-G181 PolarHBondContact O-N 2.98Å |
| 178 | Y | 93 | Very high | 86.7 | Confident | 73 Ų | 73 | 54 Ų | 54 | 29% | 0.286 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -52.3 | -177.3 | -166.8 | -92.6 | 0 | 0 | 0 | 112.5 | E84 L85 F109 L174 C175 | E84-Y178 HydrophobicContact CB-CE1 4.36Å; L85-Y178 HydrophobicContact CD1-CD1 3.42Å; L85-Y178 VanDerWaalsContact CD1-CD1 3.42Å; L85-Y178 HydrophobicContact CD1-CD2 4.04Å; L85-Y178 HydrophobicContact CD1-CE1 4Å; L85-Y178 HydrophobicContact CD1-CG 3.45Å; L85-Y178 VanDerWaalsContact CD1-CG 3.45Å; L85-Y178 HydrophobicContact CD2-CD2 4.36Å; L85-Y178 HydrophobicContact CD2-CE2 4.4Å; L85-Y178 HydrophobicContact CG-CD1 4.07Å; L85-Y178 HydrophobicContact CG-CD2 4.46Å; L85-Y178 HydrophobicContact CG-CE1 4.13Å; L85-Y178 HydrophobicContact CG-CG 4.24Å; F109-Y178 HydrophobicContact CD1-CD2 4.28Å; F109-Y178 HydrophobicContact CD1-CE2 4.05Å; F109-Y178 HydrophobicContact CE1-CD2 4.06Å; F109-Y178 HydrophobicContact CE1-CE2 4.3Å; L174-Y178 WeakPolarHBondContact O-CB 3.46Å; L174-Y178 PolarHBondContact O-N 3.28Å; C175-Y178 PolarHBondContact O-N 2.9Å |
| 179 | F | 93.4 | Very high | 86.2 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -90.5 | -30.5 | -172.5 | -67.6 | -66.5 | 0 | 0 | 0 | 114.7 | F47 Q50 V51 L85 C175 | F47-F179 HydrophobicContact CB-CD1 4.44Å; F47-F179 HydrophobicContact CB-CD2 4.18Å; F47-F179 HydrophobicContact CB-CE1 4.48Å; F47-F179 HydrophobicContact CB-CE2 4.2Å; F47-F179 HydrophobicContact CB-CG 4.3Å; F47-F179 HydrophobicContact CB-CZ 4.35Å; F47-F179 HydrophobicContact CD1-CB 3.95Å; F47-F179 AromaticContact CD1-CD1 3.76Å; F47-F179 HydrophobicContact CD1-CD1 3.76Å; F47-F179 HydrophobicContact CD1-CE1 4.41Å; F47-F179 AromaticContact CD1-CG 3.83Å; F47-F179 HydrophobicContact CD1-CG 3.83Å; F47-F179 HydrophobicContact CD2-CB 3.75Å; F47-F179 AromaticContact CD2-CD2 3.98Å; F47-F179 HydrophobicContact CD2-CD2 3.98Å; F47-F179 AromaticContact CD2-CG 3.88Å; F47-F179 HydrophobicContact CD2-CG 3.88Å; F47-F179 HydrophobicContact CE1-CB 3.73Å; F47-F179 HydrophobicContact CE1-CD1 4.18Å; F47-F179 HydrophobicContact CE1-CG 4.12Å; F47-F179 HydrophobicContact CE2-CB 3.5Å; F47-F179 HydrophobicContact CE2-CG 4.15Å; F47-F179 HydrophobicContact CG-CB 3.98Å; F47-F179 HydrophobicContact CG-CD1 4.01Å; F47-F179 AromaticContact CG-CD2 3.96Å; F47-F179 HydrophobicContact CG-CD2 3.96Å; F47-F179 HydrophobicContact CG-CE2 4.45Å; F47-F179 AromaticContact CG-CG 3.71Å; F47-F179 HydrophobicContact CG-CG 3.71Å; F47-F179 HydrophobicContact CZ-CB 3.51Å; F47-F179 HydrophobicContact CZ-CG 4.28Å; Q50-F179 HydrophobicContact CB-CE1 3.63Å; Q50-F179 HydrophobicContact CB-CZ 3.71Å; Q50-F179 HydrophobicContact CG-CE1 4.31Å; V51-F179 HydrophobicContact CB-CE2 3.75Å; V51-F179 HydrophobicContact CB-CZ 4.02Å; V51-F179 HydrophobicContact CG1-CE2 4.18Å; V51-F179 HydrophobicContact CG2-CE2 4.31Å; L85-F179 HydrophobicContact CD1-CD2 4.41Å; L85-F179 HydrophobicContact CD1-CE2 3.64Å; L85-F179 HydrophobicContact CD1-CZ 3.95Å; L85-F179 HydrophobicContact CG-CZ 4.48Å; C175-F179 PolarHBondContact O-N 3.32Å; C175-F179 VanDerWaalsContact O-N 3.12Å |
| 180 | R | 92.2 | Very high | 86 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -100.7 | 5.8 | -177 | -57.9 | -179.7 | 178 | 154.6 | 2.6 | 112.9 | Q43 E46 F47 Q176 R182 | Q43-R180 PolarHBondContact O-NH2 2.66Å; E46-R180 IonicContact OE1-CZ 2.7Å; E46-R180 IonicContact OE1-NE 3.79Å; E46-R180 PolarHBondContact OE1-NE 3.43Å; E46-R180 IonicContact OE1-NH2 3.45Å; E46-R180 PolarHBondContact OE1-NH2 2.73Å; E46-R180 IonicContact OE2-NH2 3.81Å; F47-R180 HydrophobicContact CE2-CG 4.18Å; F47-R180 HydrophobicContact CZ-CG 4.3Å; Q176-R180 WeakPolarHBondContact O-CA 3.38Å; Q176-R180 WeakPolarHBondContact O-CB 3.41Å; Q176-R180 PolarHBondContact O-N 3.24Å; R180-R182 VanDerWaalsContact C-N 3.27Å; R180-R182 PolarHBondContact O-N 3.2Å |
| 181 | G | 80.6 | Confident | 85.9 | Confident | 53 Ų | 53 | 61 Ų | 61 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | trans | 61.7 | 27.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G177 Q183 | G177-G181 PolarHBondContact O-N 2.98Å; G181-Q183 PolarHBondContact O-N 3.02Å | ||
| 182 | R | 71.1 | Confident | 85.8 | Confident | 147 Ų | 147 | 63.4 Ų | 63.4 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | trans | -67.9 | 118.2 | 176.8 | -77.9 | -172.4 | 172.9 | 175.6 | -6 | 109.6 | R180 L186 | R180-R182 VanDerWaalsContact C-N 3.27Å; R180-R182 PolarHBondContact O-N 3.2Å; R182-L186 HydrophobicContact CB-CD1 4.15Å | ||
| 183 | Q | 53.3 | Low | 85.8 | Confident | 198 Ų | 198 | 66.8 Ų | 66.8 | 93% | 0.925 | 35% | 0.349 | S | S | * | . | trans | -76.9 | -18 | -173.7 | -67.8 | -119.8 | -33.2 | 0 | 0 | 114.1 | G181 | G181-Q183 PolarHBondContact O-N 3.02Š| ||
| 184 | E | 58.8 | Low | 85.9 | Confident | 135 Ų | 135 | 69.2 Ų | 69.2 | 63% | 0.631 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -73.7 | 141.1 | 176.6 | -68.5 | -177.3 | 177.9 | 0 | 0 | 110.4 | L186 | E184-L186 PolarHBondContact O-N 3.25Š|
| 185 | P | 68.1 | Low | 86 | Confident | 70 Ų | 70 | 68 Ų | 68 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | trans | -68.2 | 85.4 | 173.6 | 28.3 | -33 | 0 | 0 | 0 | 108.8 | L187 Q188 | P185-L187 PolarHBondContact O-N 2.89Å; P185-Q188 HydrophobicContact CB-CG 3.97Å; P185-Q188 HydrophobicContact CG-CB 4.33Å; P185-Q188 HydrophobicContact CG-CG 3.86Å; P185-Q188 WeakPolarHBondContact O-CB 3.21Å; P185-Q188 PolarHBondContact O-N 2.83Å | ||
| 186 | L | 79.2 | Confident | 86.1 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -54 | -26.2 | -174.6 | -68.3 | 174.3 | 0 | 0 | 0 | 112.8 | A173 Q176 R182 E184 Q188 L189 | A173-L186 HydrophobicContact CB-CB 3.81Å; A173-L186 WeakPolarHBondContact O-CD1 3.29Å; Q176-L186 HydrophobicContact CB-CD1 3.94Å; R182-L186 HydrophobicContact CB-CD1 4.15Å; E184-L186 PolarHBondContact O-N 3.25Å; L186-Q188 VanDerWaalsContact C-N 3.27Å; L186-Q188 PolarHBondContact O-N 3.12Å; L186-L189 HydrophobicContact CD2-CD1 3.81Å; L186-L189 WeakPolarHBondContact O-CB 3.4Å; L186-L189 PolarHBondContact O-N 2.91Å; L186-L189 VanDerWaalsContact O-N 3.12Å |
| 187 | L | 83.2 | Confident | 86.3 | Confident | 39 Ų | 39 | 75.4 Ų | 75.4 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -61.6 | -32.3 | 173 | -60.3 | -179.1 | 0 | 0 | 0 | 113 | Y118 P155 N170 A173 L174 P185 L189 L190 | Y118-L187 HydrophobicContact CD1-CD1 4.25Å; Y118-L187 HydrophobicContact CE1-CD1 3.6Å; P155-L187 HydrophobicContact CG-CB 4.06Å; P155-L187 WeakPolarHBondContact CG-O 3.47Å; N170-L187 VanDerWaalsContact OD1-CD2 3.26Å; N170-L187 WeakPolarHBondContact OD1-CD2 3.47Å; A173-L187 HydrophobicContact CB-CD2 4.3Å; L174-L187 HydrophobicContact CD2-CD1 4.22Å; L174-L187 HydrophobicContact CD2-CD2 4.28Å; L174-L187 HydrophobicContact CD2-CG 4.48Å; L174-L187 HydrophobicContact CG-CD2 4.21Å; P185-L187 PolarHBondContact O-N 2.89Å; L187-L189 PolarHBondContact O-N 3.28Å; L187-L190 HydrophobicContact CD2-CD1 4.16Å; L187-L190 WeakPolarHBondContact O-CB 3.44Å; L187-L190 PolarHBondContact O-N 3.08Å |
| 188 | Q | 84.3 | Confident | 86.5 | Confident | 153 Ų | 153 | 75.2 Ų | 75.2 | 72% | 0.715 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -68.1 | -19 | 176.4 | -65.2 | -178.7 | 7.7 | 0 | 0 | 112.7 | P185 L186 L190 | P185-Q188 HydrophobicContact CB-CG 3.97Å; P185-Q188 HydrophobicContact CG-CB 4.33Å; P185-Q188 HydrophobicContact CG-CG 3.86Å; P185-Q188 WeakPolarHBondContact O-CB 3.21Å; P185-Q188 PolarHBondContact O-N 2.83Å; L186-Q188 VanDerWaalsContact C-N 3.27Å; L186-Q188 PolarHBondContact O-N 3.12Å; Q188-L190 VanDerWaalsContact C-N 3.29Å |
| 189 | L | 87.3 | Confident | 86.8 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -77.8 | -15.4 | 176.3 | -57.6 | 176 | 0 | 0 | 0 | 112.6 | L186 L187 T191 Y194 | L186-L189 HydrophobicContact CD2-CD1 3.81Å; L186-L189 WeakPolarHBondContact O-CB 3.4Å; L186-L189 PolarHBondContact O-N 2.91Å; L186-L189 VanDerWaalsContact O-N 3.12Å; L187-L189 PolarHBondContact O-N 3.28Å; L189-T191 PolarHBondContact O-N 3.12Å; L189-Y194 WeakPolarHBondContact O-CB 3.19Å |
| 190 | L | 93.7 | Very high | 87 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | trans | -79.9 | 59.3 | -175.4 | -54.7 | -171.7 | 0 | 0 | 0 | 112.1 | P155 Y166 C169 N170 A173 L187 Q188 Y194 | P155-L190 HydrophobicContact CB-CB 3.95Å; P155-L190 HydrophobicContact CG-CB 3.9Å; P155-L190 HydrophobicContact CG-CD1 4.18Å; P155-L190 HydrophobicContact CG-CG 4.43Å; Y166-L190 HydrophobicContact CE1-CB 4.44Å; C169-L190 HydrophobicContact CB-CD1 4.06Å; C169-L190 HydrophobicContact CB-CD2 3.83Å; N170-L190 HydrophobicContact CB-CD1 4.49Å; N170-L190 WeakPolarHBondContact OD1-CD1 3.26Å; A173-L190 HydrophobicContact CB-CD1 4.46Å; L187-L190 HydrophobicContact CD2-CD1 4.16Å; L187-L190 WeakPolarHBondContact O-CB 3.44Å; L187-L190 PolarHBondContact O-N 3.08Å; Q188-L190 VanDerWaalsContact C-N 3.29Å; L190-Y194 HydrophobicContact CD2-CD1 3.54Å; L190-Y194 HydrophobicContact CD2-CE1 3.17Å | ||
| 191 | T | 96.1 | Very high | 87.3 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 37% | 0.368 | 38% | 0.383 | S | S | . | . | trans | -74.6 | 161.1 | 174.2 | 67.4 | 0 | 0 | 0 | 0 | 111.1 | L189 S193 Y194 I195 | L189-T191 PolarHBondContact O-N 3.12Å; T191-S193 PolarHBondContact O-N 2.89Å; T191-S193 PolarHBondContact OG1-OG 3.29Å; T191-S193 VanDerWaalsContact OG1-OG 3.06Å; T191-Y194 WeakPolarHBondContact O-CB 3.44Å; T191-Y194 PolarHBondContact O-N 3.42Å; T191-Y194 VanDerWaalsContact O-N 3.08Å; T191-Y194 WeakPolarHBondContact OG1-CB 3.35Å; T191-Y194 PolarHBondContact OG1-N 3.02Å; T191-I195 WeakPolarHBondContact O-CG1 3.47Å; T191-I195 PolarHBondContact O-N 3.1Å | ||
| 192 | P | 96.8 | Very high | 88.2 | Confident | 50 Ų | 50 | 69.6 Ų | 69.6 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.3 | -35 | 176.3 | -27.7 | 35.8 | 0 | 0 | 0 | 114.2 | Q158 I195 T196 | Q158-P192 HydrophobicContact CB-CG 4.05Å; Q158-P192 HydrophobicContact CG-CG 3.55Å; P192-I195 PolarHBondContact O-N 3.18Å; P192-T196 PolarHBondContact O-N 3.04Å; P192-T196 PolarHBondContact O-OG1 2.58Å |
| 193 | S | 97.1 | Very high | 89.5 | Confident | 87 Ų | 87 | 65.5 Ų | 65.5 | 61% | 0.608 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.5 | -39.9 | 175.9 | 54.4 | 0 | 0 | 0 | 0 | 112 | T191 I195 T196 Q197 | T191-S193 PolarHBondContact O-N 2.89Å; T191-S193 PolarHBondContact OG1-OG 3.29Å; T191-S193 VanDerWaalsContact OG1-OG 3.06Å; S193-I195 VanDerWaalsContact C-N 3.35Å; S193-T196 PolarHBondContact O-N 3.1Å; S193-Q197 WeakPolarHBondContact O-CB 3.28Å; S193-Q197 PolarHBondContact O-N 3.34Å |
| 194 | Y | 96.9 | Very high | 91.7 | Very high | 59 Ų | 59 | 58.9 Ų | 58.9 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 173.1 | 178.6 | -87.1 | 0 | 0 | 0 | 111.4 | C169 L189 L190 T191 T196 Q197 K198 | C169-Y194 HydrophobicContact CB-CE1 4.36Å; L189-Y194 WeakPolarHBondContact O-CB 3.19Å; L190-Y194 HydrophobicContact CD2-CD1 3.54Å; L190-Y194 HydrophobicContact CD2-CE1 3.17Å; T191-Y194 WeakPolarHBondContact O-CB 3.44Å; T191-Y194 PolarHBondContact O-N 3.42Å; T191-Y194 VanDerWaalsContact O-N 3.08Å; T191-Y194 WeakPolarHBondContact OG1-CB 3.35Å; T191-Y194 PolarHBondContact OG1-N 3.02Å; Y194-T196 VanDerWaalsContact C-N 3.34Å; Y194-T196 PolarHBondContact O-N 3.5Å; Y194-Q197 PolarHBondContact O-N 2.72Å; Y194-K198 HydrophobicContact CD1-CG 3.91Å; Y194-K198 HydrophobicContact CE1-CD 4.23Å; Y194-K198 HydrophobicContact CE1-CG 3.48Å; Y194-K198 VanDerWaalsContact CE1-CG 3.48Å; Y194-K198 WeakPolarHBondContact O-CB 3.45Å; Y194-K198 WeakPolarHBondContact O-CG 3.31Å; Y194-K198 PolarHBondContact O-N 2.79Å; Y194-K198 WeakPolarHBondContact OH-CE 3.41Å |
| 195 | I | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 178 | -65.6 | -60.9 | 0 | 0 | 0 | 111.6 | D162 M165 Y166 C169 T191 P192 S193 K198 R199 | D162-I195 HydrophobicContact CB-CG2 3.91Å; M165-I195 HydrophobicContact CB-CG2 3.58Å; M165-I195 HydrophobicContact CG-CG2 4.24Å; Y166-I195 HydrophobicContact CD1-CD1 4.04Å; Y166-I195 HydrophobicContact CD1-CG1 4.27Å; Y166-I195 HydrophobicContact CD2-CG1 4.37Å; Y166-I195 HydrophobicContact CE1-CD1 4.06Å; Y166-I195 HydrophobicContact CE1-CG1 3.82Å; Y166-I195 HydrophobicContact CE2-CG1 3.93Å; Y166-I195 HydrophobicContact CE2-CG2 4.41Å; Y166-I195 HydrophobicContact CG-CD1 4.28Å; C169-I195 HydrophobicContact CB-CD1 3.77Å; T191-I195 WeakPolarHBondContact O-CG1 3.47Å; T191-I195 PolarHBondContact O-N 3.1Å; P192-I195 PolarHBondContact O-N 3.18Å; S193-I195 VanDerWaalsContact C-N 3.35Å; I195-K198 PolarHBondContact O-N 2.7Å; I195-R199 PolarHBondContact O-N 3.21Å |
| 196 | T | 97.8 | Very high | 95 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.6 | -57 | 0 | 0 | 0 | 0 | 111.5 | P192 S193 Y194 K198 R199 | P192-T196 PolarHBondContact O-N 3.04Å; P192-T196 PolarHBondContact O-OG1 2.58Å; S193-T196 PolarHBondContact O-N 3.1Å; Y194-T196 VanDerWaalsContact C-N 3.34Å; Y194-T196 PolarHBondContact O-N 3.5Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.24Å; T196-R199 WeakPolarHBondContact O-CB 3.4Å; T196-R199 PolarHBondContact O-N 3.42Å |
| 197 | Q | 98.1 | Very high | 95.9 | Very high | 112 Ų | 112 | 53 Ų | 53 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.5 | -180 | -178.2 | -23.3 | 0 | 0 | 111.4 | S193 Y194 R199 A200 E201 | S193-Q197 WeakPolarHBondContact O-CB 3.28Å; S193-Q197 PolarHBondContact O-N 3.34Å; Y194-Q197 PolarHBondContact O-N 2.72Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 3.37Å; Q197-A200 WeakPolarHBondContact O-CB 3.29Å; Q197-A200 PolarHBondContact O-N 3.45Å; Q197-E201 HydrophobicContact CG-CG 4.47Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.48Å; Q197-E201 PolarHBondContact NE2-OE1 2.69Å; Q197-E201 PolarHBondContact O-N 3.21Å |
| 198 | K | 98.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -34.7 | 179.6 | -81.8 | -73 | 177.4 | -165.7 | 0 | 113.2 | M165 E172 Y194 I195 T196 A200 E201 W202 | M165-K198 HydrophobicContact CE-CB 3.5Å; E172-K198 IonicContact OE2-NZ 3.64Å; Y194-K198 HydrophobicContact CD1-CG 3.91Å; Y194-K198 HydrophobicContact CE1-CD 4.23Å; Y194-K198 HydrophobicContact CE1-CG 3.48Å; Y194-K198 VanDerWaalsContact CE1-CG 3.48Å; Y194-K198 WeakPolarHBondContact O-CB 3.45Å; Y194-K198 WeakPolarHBondContact O-CG 3.31Å; Y194-K198 PolarHBondContact O-N 2.79Å; Y194-K198 WeakPolarHBondContact OH-CE 3.41Å; I195-K198 PolarHBondContact O-N 2.7Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.24Å; K198-A200 VanDerWaalsContact C-N 3.3Å; K198-A200 PolarHBondContact O-N 3.32Å; K198-E201 WeakPolarHBondContact CD-OE2 3.18Å; K198-E201 VanDerWaalsContact CE-OE2 3.3Å; K198-E201 WeakPolarHBondContact CE-OE2 3.35Å; K198-E201 IonicContact NZ-OE2 3.75Å; K198-E201 PolarHBondContact NZ-OE2 2.64Å; K198-E201 PolarHBondContact O-N 2.9Å; K198-W202 PolarHBondContact O-N 3.14Å |
| 199 | R | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.4 | -45.2 | 172.3 | -75.9 | 175.9 | 168 | -87.3 | 2.4 | 112.2 | L20 L21 S25 Y161 D162 M165 I195 T196 Q197 K203 | L20-R199 PolarHBondContact O-NH1 2.67Å; L21-R199 WeakPolarHBondContact O-CB 3.42Å; L21-R199 WeakPolarHBondContact O-CD 3.46Å; L21-R199 PolarHBondContact O-NH1 2.95Å; L21-R199 VanDerWaalsContact O-NH1 3.14Å; S25-R199 PolarHBondContact O-NH1 3.21Å; S25-R199 PolarHBondContact O-NH2 3.29Å; Y161-R199 PolarHBondContact O-NH2 2.87Å; D162-R199 IonicContact OD1-CZ 3.2Å; D162-R199 IonicContact OD1-NE 3.63Å; D162-R199 PolarHBondContact OD1-NE 3.48Å; D162-R199 IonicContact OD1-NH2 2.82Å; D162-R199 PolarHBondContact OD1-NH2 3.34Å; M165-R199 HydrophobicContact CE-CG 3.93Å; M165-R199 HydrophobicContact CG-CG 3.57Å; M165-R199 HydrophobicContact SD-CG 3.56Å; M165-R199 VanDerWaalsContact SD-CG 3.56Å; I195-R199 PolarHBondContact O-N 3.21Å; T196-R199 WeakPolarHBondContact O-CB 3.4Å; T196-R199 PolarHBondContact O-N 3.42Å; Q197-R199 VanDerWaalsContact C-N 3.28Å; Q197-R199 PolarHBondContact O-N 3.37Å; R199-K203 WeakPolarHBondContact O-CB 3.41Å; R199-K203 PolarHBondContact O-N 2.73Å; R199-K203 VanDerWaalsContact O-N 3.08Å |
| 200 | A | 98.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 49 Ų | 49 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q197 K198 K203 A204 | Q197-A200 WeakPolarHBondContact O-CB 3.29Å; Q197-A200 PolarHBondContact O-N 3.45Å; K198-A200 VanDerWaalsContact C-N 3.3Å; K198-A200 PolarHBondContact O-N 3.32Å; A200-K203 PolarHBondContact O-N 3.34Å; A200-A204 WeakPolarHBondContact O-CB 3.48Å; A200-A204 PolarHBondContact O-N 2.93Å |
| 201 | E | 98.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176.2 | -68.9 | 178.4 | -168 | 0 | 0 | 112.1 | Q197 K198 K203 A204 L205 | Q197-E201 HydrophobicContact CG-CG 4.47Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.48Å; Q197-E201 PolarHBondContact NE2-OE1 2.69Å; Q197-E201 PolarHBondContact O-N 3.21Å; K198-E201 WeakPolarHBondContact CD-OE2 3.18Å; K198-E201 VanDerWaalsContact CE-OE2 3.3Å; K198-E201 WeakPolarHBondContact CE-OE2 3.35Å; K198-E201 IonicContact NZ-OE2 3.75Å; K198-E201 PolarHBondContact NZ-OE2 2.64Å; K198-E201 PolarHBondContact O-N 2.9Å; E201-K203 PolarHBondContact O-N 3.01Å; E201-A204 PolarHBondContact O-N 3.41Å; E201-L205 WeakPolarHBondContact O-CB 3.07Å; E201-L205 PolarHBondContact O-N 3.35Å |
| 202 | W | 98.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 5% | 0.045 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.6 | -83.2 | 105.9 | 0 | 0 | 0 | 112.2 | L21 F34 A35 Y38 F39 I168 K198 A204 L205 I206 | L21-W202 HydrophobicContact CD1-CB 4.32Å; L21-W202 HydrophobicContact CD2-CB 4.08Å; F34-W202 HydrophobicContact CD1-CE3 4.33Å; F34-W202 HydrophobicContact CD1-CZ3 4.24Å; F34-W202 AromaticContact CE1-CE3 3.75Å; F34-W202 HydrophobicContact CE1-CE3 3.75Å; F34-W202 AromaticContact CE1-CZ3 3.7Å; F34-W202 HydrophobicContact CE1-CZ3 3.7Å; F34-W202 HydrophobicContact CZ-CZ3 4.39Å; A35-W202 HydrophobicContact CB-CE3 4.48Å; A35-W202 HydrophobicContact CB-CH2 3.55Å; A35-W202 HydrophobicContact CB-CZ2 3.87Å; A35-W202 HydrophobicContact CB-CZ3 3.89Å; Y38-W202 AromaticContact CD1-CH2 3.84Å; Y38-W202 HydrophobicContact CD1-CH2 3.84Å; Y38-W202 HydrophobicContact CD1-CZ3 4.02Å; Y38-W202 HydrophobicContact CG-CH2 4.46Å; Y38-W202 HydrophobicContact CG-CZ3 4.31Å; F39-W202 HydrophobicContact CD1-CH2 4.3Å; F39-W202 AromaticContact CE1-CH2 3.65Å; F39-W202 HydrophobicContact CE1-CH2 3.65Å; F39-W202 AromaticContact CE1-CZ2 3.55Å; F39-W202 HydrophobicContact CE1-CZ2 3.55Å; F39-W202 HydrophobicContact CZ-CH2 4Å; F39-W202 AromaticContact CZ-CZ2 3.6Å; F39-W202 HydrophobicContact CZ-CZ2 3.6Å; I168-W202 HydrophobicContact CG2-CZ2 3.53Å; K198-W202 PolarHBondContact O-N 3.14Å; W202-A204 VanDerWaalsContact C-N 3.35Å; W202-A204 PolarHBondContact O-N 3.05Å; W202-L205 HydrophobicContact CE3-CD2 3.81Å; W202-L205 HydrophobicContact CH2-CD2 4.48Å; W202-L205 HydrophobicContact CZ3-CD2 3.69Å; W202-L205 WeakPolarHBondContact O-CB 3.4Å; W202-L205 PolarHBondContact O-N 3.06Å; W202-I206 WeakPolarHBondContact O-CG1 3.38Å; W202-I206 PolarHBondContact O-N 2.96Å |
| 203 | K | 98.2 | Very high | 96.4 | Very high | 61 Ų | 61 | 63.6 Ų | 63.6 | 27% | 0.265 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 176.1 | -168.5 | 169.7 | 176.9 | 177.3 | 0 | 112 | V18 L21 D22 R199 A200 E201 T207 | V18-K203 HydrophobicContact CG1-CG 4.14Å; L21-K203 HydrophobicContact CB-CB 4.34Å; L21-K203 HydrophobicContact CB-CD 4.45Å; L21-K203 HydrophobicContact CD1-CB 3.96Å; L21-K203 HydrophobicContact CD1-CG 4.49Å; D22-K203 IonicContact OD1-NZ 3.84Å; D22-K203 PolarHBondContact OD1-NZ 2.82Å; D22-K203 IonicContact OD2-NZ 2.8Å; D22-K203 PolarHBondContact OD2-NZ 2.71Å; R199-K203 WeakPolarHBondContact O-CB 3.41Å; R199-K203 PolarHBondContact O-N 2.73Å; R199-K203 VanDerWaalsContact O-N 3.08Å; A200-K203 PolarHBondContact O-N 3.34Å; E201-K203 PolarHBondContact O-N 3.01Å; K203-T207 PolarHBondContact O-N 3.14Å; K203-T207 VanDerWaalsContact O-N 3.1Å; K203-T207 PolarHBondContact O-OG1 3.02Å |
| 204 | A | 98.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 49% | 0.488 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A200 E201 W202 T207 K208 | A200-A204 WeakPolarHBondContact O-CB 3.48Å; A200-A204 PolarHBondContact O-N 2.93Å; E201-A204 PolarHBondContact O-N 3.41Å; W202-A204 VanDerWaalsContact C-N 3.35Å; W202-A204 PolarHBondContact O-N 3.05Å; A204-T207 PolarHBondContact O-N 3.47Å; A204-K208 WeakPolarHBondContact O-CB 3.41Å; A204-K208 PolarHBondContact O-N 2.99Å |
| 205 | L | 98.6 | Very high | 96.3 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 175 | 176 | 62.8 | 0 | 0 | 0 | 111.5 | Y38 E201 W202 T207 K208 L209 | Y38-L205 HydrophobicContact CD1-CD2 3.94Å; Y38-L205 HydrophobicContact CD2-CD2 4.2Å; Y38-L205 HydrophobicContact CE1-CD2 3.65Å; Y38-L205 HydrophobicContact CE2-CD1 4.04Å; Y38-L205 HydrophobicContact CE2-CD2 3.93Å; Y38-L205 HydrophobicContact CE2-CG 4.44Å; Y38-L205 HydrophobicContact CG-CD2 4.2Å; E201-L205 WeakPolarHBondContact O-CB 3.07Å; E201-L205 PolarHBondContact O-N 3.35Å; W202-L205 HydrophobicContact CE3-CD2 3.81Å; W202-L205 HydrophobicContact CH2-CD2 4.48Å; W202-L205 HydrophobicContact CZ3-CD2 3.69Å; W202-L205 WeakPolarHBondContact O-CB 3.4Å; W202-L205 PolarHBondContact O-N 3.06Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 2.97Å; L205-K208 WeakPolarHBondContact O-CB 3.44Å; L205-K208 PolarHBondContact O-N 3.19Å; L205-K208 VanDerWaalsContact O-N 3.12Å; L205-L209 HydrophobicContact CD1-CD1 4.01Å; L205-L209 HydrophobicContact CD1-CG 4.06Å; L205-L209 HydrophobicContact CG-CD1 4.02Å; L205-L209 HydrophobicContact CG-CG 4.43Å; L205-L209 WeakPolarHBondContact O-CG 3.21Å; L205-L209 PolarHBondContact O-N 3.11Å |
| 206 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.5 | -46 | 176.4 | -69.8 | 161.7 | 0 | 0 | 0 | 110.4 | V5 L6 L13 V18 L21 I31 F34 W202 K208 L209 A210 | V5-I206 HydrophobicContact CG1-CG2 4.01Å; L6-I206 HydrophobicContact CB-CG2 4.21Å; L6-I206 HydrophobicContact CD2-CG1 4.41Å; L6-I206 HydrophobicContact CD2-CG2 4.14Å; L13-I206 HydrophobicContact CD1-CD1 3.62Å; L13-I206 HydrophobicContact CD1-CG1 3.88Å; L13-I206 HydrophobicContact CD1-CG2 4.2Å; V18-I206 HydrophobicContact CG2-CD1 4.43Å; V18-I206 HydrophobicContact CG2-CG2 3.94Å; L21-I206 HydrophobicContact CD1-CD1 3.56Å; I31-I206 HydrophobicContact CD1-CD1 4.31Å; F34-I206 HydrophobicContact CD1-CD1 4.18Å; F34-I206 HydrophobicContact CD1-CG1 4.07Å; F34-I206 HydrophobicContact CE1-CD1 3.93Å; F34-I206 HydrophobicContact CE1-CG1 3.4Å; F34-I206 VanDerWaalsContact CE1-CG1 3.4Å; F34-I206 HydrophobicContact CZ-CG1 3.83Å; W202-I206 WeakPolarHBondContact O-CG1 3.38Å; W202-I206 PolarHBondContact O-N 2.96Å; I206-K208 VanDerWaalsContact C-N 3.32Å; I206-K208 PolarHBondContact O-N 3.41Å; I206-L209 PolarHBondContact O-N 2.63Å; I206-A210 WeakPolarHBondContact O-CB 3.15Å; I206-A210 PolarHBondContact O-N 3.46Å |
| 207 | T | 97.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 66.1 Ų | 66.1 | 43% | 0.429 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | K203 A204 L205 A210 Q211 | K203-T207 PolarHBondContact O-N 3.14Å; K203-T207 VanDerWaalsContact O-N 3.1Å; K203-T207 PolarHBondContact O-OG1 3.02Å; A204-T207 PolarHBondContact O-N 3.47Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 2.97Å; T207-A210 PolarHBondContact O-N 3.03Å; T207-Q211 WeakPolarHBondContact O-CG 3.26Å; T207-Q211 PolarHBondContact O-N 2.89Å |
| 208 | K | 97.9 | Very high | 96 | Very high | 132 Ų | 132 | 63 Ų | 63 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 177.8 | 179.6 | -175.1 | 175.6 | -173.7 | 0 | 112.1 | A204 L205 I206 Q211 | A204-K208 WeakPolarHBondContact O-CB 3.41Å; A204-K208 PolarHBondContact O-N 2.99Å; L205-K208 WeakPolarHBondContact O-CB 3.44Å; L205-K208 PolarHBondContact O-N 3.19Å; L205-K208 VanDerWaalsContact O-N 3.12Å; I206-K208 VanDerWaalsContact C-N 3.32Å; I206-K208 PolarHBondContact O-N 3.41Å; K208-Q211 PolarHBondContact O-N 3.2Å |
| 209 | L | 97.8 | Very high | 95.8 | Very high | 16 Ų | 16 | 65.9 Ų | 65.9 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.3 | -34.8 | 178.9 | -68.9 | 174.3 | 0 | 0 | 0 | 111.9 | L6 Y8 F34 Y38 L205 I206 Q211 K212 | L6-L209 HydrophobicContact CD1-CB 3.9Å; L6-L209 HydrophobicContact CD2-CB 4.29Å; L6-L209 HydrophobicContact CD2-CD1 4.46Å; Y8-L209 HydrophobicContact CD2-CD1 4.21Å; Y8-L209 HydrophobicContact CE2-CD1 4.27Å; F34-L209 HydrophobicContact CE2-CD1 4.12Å; F34-L209 HydrophobicContact CZ-CD1 3.86Å; Y38-L209 HydrophobicContact CD2-CD1 4.06Å; Y38-L209 HydrophobicContact CE2-CD1 4.13Å; L205-L209 HydrophobicContact CD1-CD1 4.01Å; L205-L209 HydrophobicContact CD1-CG 4.06Å; L205-L209 HydrophobicContact CG-CD1 4.02Å; L205-L209 HydrophobicContact CG-CG 4.43Å; L205-L209 WeakPolarHBondContact O-CG 3.21Å; L205-L209 PolarHBondContact O-N 3.11Å; I206-L209 PolarHBondContact O-N 2.63Å; L209-Q211 PolarHBondContact O-N 2.76Å; L209-K212 PolarHBondContact O-N 2.92Å |
| 210 | A | 95.9 | Very high | 95.6 | Very high | 43 Ų | 43 | 70.8 Ų | 70.8 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V5 L6 I206 T207 | V5-A210 VanDerWaalsContact O-CB 3.23Å; V5-A210 WeakPolarHBondContact O-CB 3.39Å; L6-A210 HydrophobicContact CD1-CB 4.35Å; I206-A210 WeakPolarHBondContact O-CB 3.15Å; I206-A210 PolarHBondContact O-N 3.46Å; T207-A210 PolarHBondContact O-N 3.03Å |
| 211 | Q | 91.9 | Very high | 95.4 | Very high | 155 Ų | 155 | 71.3 Ų | 71.3 | 72% | 0.724 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -10 | 176.9 | -70.9 | 172.2 | -0.5 | 0 | 0 | 113.6 | T207 K208 L209 | T207-Q211 WeakPolarHBondContact O-CG 3.26Å; T207-Q211 PolarHBondContact O-N 2.89Å; K208-Q211 PolarHBondContact O-N 3.2Å; L209-Q211 PolarHBondContact O-N 2.76Å |
| 212 | K | 72.4 | Confident | 95.1 | Very high | 203 Ų | 203 | 71.1 Ų | 71.1 | 88% | 0.883 | 37% | 0.365 | S | S | * | . | trans | -84.6 | 0 | 176.2 | -69.7 | -175.8 | 175.9 | -178.5 | 0 | 110.5 | L209 | L209-K212 PolarHBondContact O-N 2.92Š|
Retrieved 212 of 212 residues in 649.4 ms
(Link to these results)