| 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 | 25.9 | Very low | 32.7 | Very low | 187 Ų | 187 | 70.3 Ų | 70.3 | 92% | 0.921 | 33% | 0.325 | S | S | * | . | 0 | 99.6 | 0 | -174.1 | 177.5 | -84.8 | 0 | 0 | 105.1 | V31 | M1-V31 HydrophobicContact CG-CG1 3.86Å; M1-V31 HydrophobicContact CG-CG2 4.47Å | |||
| 2 | F | 25.6 | Very low | 33 | Very low | 148 Ų | 148 | 73.2 Ų | 73.2 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.2 | 179.9 | -69.6 | -84.3 | 0 | 0 | 0 | 108.3 | ||
| 3 | H | 27.5 | Very low | 32.9 | Very low | 113 Ų | 113 | 78.2 Ų | 78.2 | 52% | 0.523 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.9 | 174.5 | -71.8 | -97.7 | 0 | 0 | 0 | 108.1 | D29 | H3-D29 IonicContact CE1-OD2 3.03Å; H3-D29 IonicContact ND1-OD2 3.84Å; H3-D29 PolarHBondContact ND1-OD2 2.65Å |
| 4 | Y | 30.8 | Very low | 33.3 | Very low | 35 Ų | 35 | 76.9 Ų | 76.9 | 14% | 0.137 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 145.1 | 170.7 | -51.8 | -56.5 | 0 | 0 | 0 | 111 | D29 I30 G32 S33 C35 | Y4-D29 WeakPolarHBondContact O-CA 3.42Å; Y4-I30 HydrophobicContact CD2-CB 3.58Å; Y4-I30 HydrophobicContact CD2-CG2 3.77Å; Y4-I30 WeakPolarHBondContact CD2-O 3.37Å; Y4-I30 VanDerWaalsContact CE2-C 3.46Å; Y4-I30 HydrophobicContact CE2-CB 4.33Å; Y4-I30 HydrophobicContact CE2-CG2 4.05Å; Y4-I30 WeakPolarHBondContact CE2-O 3.24Å; Y4-I30 HydrophobicContact CG-CB 4.5Å; Y4-I30 PolarHBondContact N-O 3.14Å; Y4-I30 VanDerWaalsContact N-O 3.13Å; Y4-G32 WeakPolarHBondContact OH-CA 3.19Å; Y4-G32 PolarHBondContact OH-N 3.42Å; Y4-G32 PolarHBondContact OH-O 3.37Å; Y4-S33 PolarHBondContact OH-N 3.25Å; Y4-S33 VanDerWaalsContact OH-N 3.12Å; Y4-C35 HydrophobicContact CD1-CB 4.02Å; Y4-C35 HydrophobicContact CE1-CB 3.54Å; Y4-C35 WeakPolarHBondContact CE1-SG 3.32Å; Y4-C35 PolarHBondContact OH-SG 2.87Å |
| 5 | H | 32.9 | Very low | 33.2 | Very low | 52 Ų | 52 | 83.9 Ų | 83.9 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | trans | -122.6 | 118 | 171.2 | -65 | -21.3 | 0 | 0 | 0 | 106 | Y7 K25 D29 | H5-Y7 HydrophobicContact CB-CD2 4.18Å; H5-Y7 HydrophobicContact CB-CE2 3.38Å; H5-Y7 WeakPolarHBondContact O-CD2 3.26Å; H5-Y7 WeakPolarHBondContact O-CE2 3.19Å; H5-Y7 PolarHBondContact O-N 2.89Å; H5-K25 HydrophobicContact CB-CD 3.89Å; H5-K25 HydrophobicContact CB-CG 4.07Å; H5-K25 PolarHBondContact CD2-NZ 3.29Å; H5-K25 PolarHBondContact CE1-NZ 3.14Å; H5-K25 VanDerWaalsContact CG-NZ 3.32Å; H5-K25 WeakPolarHBondContact ND1-CE 3.17Å; H5-K25 PolarHBondContact ND1-NZ 3.22Å; H5-K25 PolarHBondContact NE2-NZ 3.25Å; H5-D29 IonicContact CE1-OD1 2.62Å; H5-D29 PolarHBondContact CE1-OD1 3.38Å; H5-D29 IonicContact ND1-OD1 2.71Å; H5-D29 PolarHBondContact ND1-OD1 3.25Å | ||
| 6 | L | 33.4 | Very low | 33.4 | Very low | 78 Ų | 78 | 84.7 Ų | 84.7 | 41% | 0.408 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 131.1 | 169.5 | -144.1 | 91.9 | 0 | 0 | 0 | 105.1 | K25 L26 | L6-K25 CarbonylContact O-C 3.48Å; L6-K25 WeakPolarHBondContact O-CA 3.45Å; L6-L26 CarbonylContact C-O 3.48Å; L6-L26 HydrophobicContact CB-CB 3.91Å; L6-L26 WeakPolarHBondContact CB-O 3.21Å; L6-L26 HydrophobicContact CD2-CB 3.66Å; L6-L26 HydrophobicContact CD2-CD1 3.92Å; L6-L26 HydrophobicContact CD2-CG 4.46Å; L6-L26 HydrophobicContact CG-CB 4.28Å; L6-L26 PolarHBondContact N-O 3.04Å; L6-L26 PolarHBondContact O-N 3.34Å |
| 7 | Y | 36.4 | Very low | 33.2 | Very low | 82 Ų | 82 | 82.2 Ų | 82.2 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 171.3 | 169.6 | -70.1 | -86.7 | 0 | 0 | 0 | 108.6 | H5 C23 V24 K25 F39 | H5-Y7 HydrophobicContact CB-CD2 4.18Å; H5-Y7 HydrophobicContact CB-CE2 3.38Å; H5-Y7 WeakPolarHBondContact O-CD2 3.26Å; H5-Y7 WeakPolarHBondContact O-CE2 3.19Å; H5-Y7 PolarHBondContact O-N 2.89Å; Y7-C23 HydrophobicContact CD1-CB 4.01Å; Y7-C23 HydrophobicContact CG-CB 4.32Å; Y7-V24 CarbonylContact C-O 3.54Å; Y7-V24 WeakPolarHBondContact CA-O 2.97Å; Y7-K25 HydrophobicContact CD1-CB 4.01Å; Y7-K25 HydrophobicContact CE1-CB 3.73Å; Y7-K25 HydrophobicContact CE1-CG 4.35Å; Y7-F39 WeakPolarHBondContact O-CD1 3.1Å; Y7-F39 WeakPolarHBondContact O-CE1 3.44Å |
| 8 | S | 37.4 | Very low | 32.9 | Very low | 11 Ų | 11 | 80.6 Ų | 80.6 | 8% | 0.077 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 108.7 | 159.9 | -149.8 | 0 | 0 | 0 | 0 | 107.1 | W10 C23 V24 | S8-W10 VanDerWaalsContact CB-CZ2 3.48Å; S8-W10 WeakPolarHBondContact OG-CH2 3.46Å; S8-W10 WeakPolarHBondContact OG-CZ2 3.49Å; S8-W10 WeakPolarHBondContact OG-CZ3 3.18Å; S8-C23 CarbonylContact O-C 3.45Å; S8-C23 WeakPolarHBondContact O-CA 3.43Å; S8-V24 PolarHBondContact N-O 3.16Å; S8-V24 PolarHBondContact O-N 2.83Å |
| 9 | C | 36.6 | Very low | 32.7 | Very low | 5 Ų | 5 | 80.9 Ų | 80.9 | 3% | 0.034 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.2 | -172.5 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | F11 N22 C23 F39 Y41 L59 | C9-F11 HydrophobicContact CB-CE2 4.08Å; C9-F11 HydrophobicContact CB-CZ 4.27Å; C9-N22 CarbonylContact C-O 3.41Å; C9-N22 VanDerWaalsContact CA-O 3.26Å; C9-N22 WeakPolarHBondContact CA-O 3.5Å; C9-C23 HydrophobicContact CB-CB 4.18Å; C9-C23 WeakPolarHBondContact CB-SG 3.43Å; C9-C23 WeakPolarHBondContact SG-CB 3.41Å; C9-C23 CovalentContact SG-SG 2.03Å; C9-C23 PolarHBondContact SG-SG 3.34Å; C9-F39 HydrophobicContact CB-CE1 3.91Å; C9-F39 HydrophobicContact CB-CE2 4.34Å; C9-F39 HydrophobicContact CB-CZ 3.57Å; C9-F39 WeakPolarHBondContact SG-CZ 3.46Å; C9-Y41 PolarHBondContact O-OH 3.15Å; C9-L59 HydrophobicContact CB-CD2 4.48Å |
| 10 | W | 38.2 | Very low | 32.7 | Very low | 21 Ų | 21 | 81.8 Ų | 81.8 | 8% | 0.08 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.4 | 177.7 | -17 | 100.2 | 0 | 0 | 0 | 108.9 | S8 S21 N22 Y41 V180 Y216 Y218 | S8-W10 VanDerWaalsContact CB-CZ2 3.48Å; S8-W10 WeakPolarHBondContact OG-CH2 3.46Å; S8-W10 WeakPolarHBondContact OG-CZ2 3.49Å; S8-W10 WeakPolarHBondContact OG-CZ3 3.18Å; W10-S21 CarbonylContact O-C 3.59Å; W10-S21 WeakPolarHBondContact O-CA 3.39Å; W10-N22 PolarHBondContact N-O 3.38Å; W10-N22 PolarHBondContact O-N 2.87Å; W10-Y41 HydrophobicContact CZ3-CE1 4.11Å; W10-V180 HydrophobicContact CZ2-CB 4.24Å; W10-V180 HydrophobicContact CZ2-CG1 3.86Å; W10-Y216 HydrophobicContact CB-CD2 4.49Å; W10-Y216 HydrophobicContact CB-CE2 4.05Å; W10-Y216 HydrophobicContact CG-CD2 4.3Å; W10-Y216 HydrophobicContact CG-CE2 4.34Å; W10-Y218 AromaticContact CE2-CZ 3.89Å; W10-Y218 HydrophobicContact CE3-CE1 4.09Å; W10-Y218 AromaticContact CE3-CZ 3.88Å; W10-Y218 HydrophobicContact CH2-CD1 4.08Å; W10-Y218 AromaticContact CH2-CE1 3.16Å; W10-Y218 HydrophobicContact CH2-CE1 3.16Å; W10-Y218 AromaticContact CH2-CE2 3.74Å; W10-Y218 HydrophobicContact CH2-CE2 3.74Å; W10-Y218 AromaticContact CH2-CZ 2.96Å; W10-Y218 WeakPolarHBondContact CH2-OH 3.13Å; W10-Y218 HydrophobicContact CZ2-CE1 4.03Å; W10-Y218 AromaticContact CZ2-CE2 3.78Å; W10-Y218 HydrophobicContact CZ2-CE2 3.78Å; W10-Y218 AromaticContact CZ2-CZ 3.34Å; W10-Y218 WeakPolarHBondContact CZ2-OH 3.3Å; W10-Y218 HydrophobicContact CZ3-CD1 4.36Å; W10-Y218 AromaticContact CZ3-CE1 3.23Å; W10-Y218 HydrophobicContact CZ3-CE1 3.23Å; W10-Y218 HydrophobicContact CZ3-CE2 4.45Å; W10-Y218 AromaticContact CZ3-CZ 3.31Å; W10-Y218 WeakPolarHBondContact CZ3-OH 3.48Å |
| 11 | F | 35.4 | Very low | 32.8 | Very low | 41 Ų | 41 | 81.2 Ų | 81.2 | 18% | 0.18 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.7 | 178.5 | -56.9 | -93 | 0 | 0 | 0 | 109.4 | C9 V19 E20 S21 Q57 L59 | C9-F11 HydrophobicContact CB-CE2 4.08Å; C9-F11 HydrophobicContact CB-CZ 4.27Å; F11-V19 HydrophobicContact CB-CG1 3.87Å; F11-V19 HydrophobicContact CD1-CG1 3.75Å; F11-V19 HydrophobicContact CG-CG1 4.27Å; F11-E20 CarbonylContact C-O 3.35Å; F11-E20 VanDerWaalsContact CA-O 3.25Å; F11-E20 WeakPolarHBondContact CA-O 3.43Å; F11-S21 VanDerWaalsContact CD1-CB 3.48Å; F11-Q57 HydrophobicContact CD2-CB 4.44Å; F11-Q57 HydrophobicContact CD2-CG 3.98Å; F11-Q57 HydrophobicContact CE2-CG 4.12Å; F11-L59 HydrophobicContact CE1-CD1 4.28Å; F11-L59 HydrophobicContact CE2-CB 4.29Å; F11-L59 HydrophobicContact CZ-CB 3.96Å; F11-L59 HydrophobicContact CZ-CD1 3.72Å; F11-L59 HydrophobicContact CZ-CD2 3.81Å; F11-L59 HydrophobicContact CZ-CG 4Å |
| 12 | R | 35.9 | Very low | 33.3 | Very low | 105 Ų | 105 | 74.5 Ų | 74.5 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.7 | 167.4 | -175.2 | 178.3 | 179.9 | -178.3 | -0.3 | 108.1 | V19 E20 W214 | R12-V19 WeakPolarHBondContact O-CA 3.48Å; R12-E20 PolarHBondContact N-O 3.22Å; R12-E20 PolarHBondContact O-N 2.81Å; R12-W214 VanDerWaalsContact NH1-CE2 3.35Å |
| 13 | E | 32.4 | Very low | 33.9 | Very low | 138 Ų | 138 | 69.7 Ų | 69.7 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.2 | 164.7 | -161.5 | 170.3 | -168.7 | 0 | 0 | 107.2 | S18 V19 | E13-S18 CarbonylContact C-O 3.2Å; E13-S18 VanDerWaalsContact CA-O 3.31Å; E13-S18 WeakPolarHBondContact CA-O 3.33Å; E13-V19 HydrophobicContact CB-CG2 4.45Å; E13-V19 HydrophobicContact CG-CG2 4.3Å |
| 14 | D | 37.6 | Very low | 34.4 | Very low | 60 Ų | 60 | 65.9 Ų | 65.9 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | trans | -77.6 | 172.2 | 171 | 69.4 | 16.5 | 0 | 0 | 0 | 110.9 | S16 G17 S18 | D14-S16 PolarHBondContact O-N 3.48Å; D14-S16 VanDerWaalsContact OD1-CA 3.26Å; D14-S16 WeakPolarHBondContact OD1-CA 3.47Å; D14-S16 VanDerWaalsContact OD1-CB 3.31Å; D14-S16 WeakPolarHBondContact OD1-CB 3.2Å; D14-S16 PolarHBondContact OD1-N 2.93Å; D14-S16 PolarHBondContact OD1-OG 3.41Å; D14-S16 PolarHBondContact OD2-OG 3.22Å; D14-S16 VanDerWaalsContact OD2-OG 3.09Å; D14-G17 PolarHBondContact O-N 2.75Å; D14-G17 PolarHBondContact OD1-N 3.4Å; D14-G17 VanDerWaalsContact OD1-N 3.1Å; D14-S18 PolarHBondContact N-O 2.91Å; D14-S18 WeakPolarHBondContact OD1-CB 3.41Å; D14-S18 PolarHBondContact OD1-N 3.44Å; D14-S18 PolarHBondContact OD1-OG 3.08Å; D14-S18 WeakPolarHBondContact OD2-CB 3.47Å; D14-S18 PolarHBondContact OD2-OG 3.36Å | ||
| 15 | D | 32.9 | Very low | 34.7 | Very low | 183 Ų | 183 | 68.5 Ų | 68.5 | 98% | 0.979 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -7.4 | 179.2 | -64 | -37.2 | 0 | 0 | 0 | 113.2 | ||
| 16 | S | 35.4 | Very low | 34.9 | Very low | 96 Ų | 96 | 67.9 Ų | 67.9 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -2.2 | 174.5 | 81.4 | 0 | 0 | 0 | 0 | 113.6 | D14 S18 | D14-S16 PolarHBondContact O-N 3.48Å; D14-S16 VanDerWaalsContact OD1-CA 3.26Å; D14-S16 WeakPolarHBondContact OD1-CA 3.47Å; D14-S16 VanDerWaalsContact OD1-CB 3.31Å; D14-S16 WeakPolarHBondContact OD1-CB 3.2Å; D14-S16 PolarHBondContact OD1-N 2.93Å; D14-S16 PolarHBondContact OD1-OG 3.41Å; D14-S16 PolarHBondContact OD2-OG 3.22Å; D14-S16 VanDerWaalsContact OD2-OG 3.09Å; S16-S18 VanDerWaalsContact C-N 3.28Å |
| 17 | G | 29.9 | Very low | 34.9 | Very low | 42 Ų | 42 | 71.7 Ų | 71.7 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 79.2 | 10.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D14 | D14-G17 PolarHBondContact O-N 2.75Å; D14-G17 PolarHBondContact OD1-N 3.4Å; D14-G17 VanDerWaalsContact OD1-N 3.1Å |
| 18 | S | 27.5 | Very low | 34.6 | Very low | 53 Ų | 53 | 77.7 Ų | 77.7 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | trans | -84.3 | 131.9 | 176.1 | 103.6 | 0 | 0 | 0 | 0 | 109.4 | E13 D14 S16 | E13-S18 CarbonylContact C-O 3.2Å; E13-S18 VanDerWaalsContact CA-O 3.31Å; E13-S18 WeakPolarHBondContact CA-O 3.33Å; D14-S18 PolarHBondContact N-O 2.91Å; D14-S18 WeakPolarHBondContact OD1-CB 3.41Å; D14-S18 PolarHBondContact OD1-N 3.44Å; D14-S18 PolarHBondContact OD1-OG 3.08Å; D14-S18 WeakPolarHBondContact OD2-CB 3.47Å; D14-S18 PolarHBondContact OD2-OG 3.36Å; S16-S18 VanDerWaalsContact C-N 3.28Å | ||
| 19 | V | 30.7 | Very low | 34.2 | Very low | 88 Ų | 88 | 81.5 Ų | 81.5 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 106.5 | -178.1 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | F11 R12 E13 | F11-V19 HydrophobicContact CB-CG1 3.87Å; F11-V19 HydrophobicContact CD1-CG1 3.75Å; F11-V19 HydrophobicContact CG-CG1 4.27Å; R12-V19 WeakPolarHBondContact O-CA 3.48Å; E13-V19 HydrophobicContact CB-CG2 4.45Å; E13-V19 HydrophobicContact CG-CG2 4.3Å |
| 20 | E | 31.6 | Very low | 33.8 | Very low | 98 Ų | 98 | 86 Ų | 86 | 46% | 0.458 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.2 | 167.9 | -79.5 | -170.5 | 157.2 | 0 | 0 | 109.7 | F11 R12 | F11-E20 CarbonylContact C-O 3.35Å; F11-E20 VanDerWaalsContact CA-O 3.25Å; F11-E20 WeakPolarHBondContact CA-O 3.43Å; R12-E20 PolarHBondContact N-O 3.22Å; R12-E20 PolarHBondContact O-N 2.81Å |
| 21 | S | 34.7 | Very low | 33.1 | Very low | 69 Ų | 69 | 89.2 Ų | 89.2 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.3 | 172.3 | 72.5 | 0 | 0 | 0 | 0 | 110.7 | W10 F11 | W10-S21 CarbonylContact O-C 3.59Å; W10-S21 WeakPolarHBondContact O-CA 3.39Å; F11-S21 VanDerWaalsContact CD1-CB 3.48Å |
| 22 | N | 37 | Very low | 32.7 | Very low | 47 Ų | 47 | 88.9 Ų | 88.9 | 25% | 0.251 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 116.3 | 178.8 | -78.1 | -66.3 | 0 | 0 | 0 | 109.4 | C9 W10 A183 | C9-N22 CarbonylContact C-O 3.41Å; C9-N22 VanDerWaalsContact CA-O 3.26Å; C9-N22 WeakPolarHBondContact CA-O 3.5Å; W10-N22 PolarHBondContact N-O 3.38Å; W10-N22 PolarHBondContact O-N 2.87Å; N22-A183 HydrophobicContact CB-CB 4.17Å; N22-A183 WeakPolarHBondContact OD1-CB 3.48Å |
| 23 | C | 38.8 | Very low | 32.1 | Very low | 46 Ų | 46 | 89 Ų | 89 | 31% | 0.311 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.3 | -175.5 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | Y7 S8 C9 | Y7-C23 HydrophobicContact CD1-CB 4.01Å; Y7-C23 HydrophobicContact CG-CB 4.32Å; S8-C23 CarbonylContact O-C 3.45Å; S8-C23 WeakPolarHBondContact O-CA 3.43Å; C9-C23 HydrophobicContact CB-CB 4.18Å; C9-C23 WeakPolarHBondContact CB-SG 3.43Å; C9-C23 WeakPolarHBondContact SG-CB 3.41Å; C9-C23 CovalentContact SG-SG 2.03Å; C9-C23 PolarHBondContact SG-SG 3.34Å |
| 24 | V | 36.6 | Very low | 31.6 | Very low | 34 Ų | 34 | 87.6 Ų | 87.6 | 21% | 0.206 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.8 | 176.6 | -179 | 0 | 0 | 0 | 0 | 110.9 | Y7 S8 L26 V180 K181 | Y7-V24 CarbonylContact C-O 3.54Å; Y7-V24 WeakPolarHBondContact CA-O 2.97Å; S8-V24 PolarHBondContact N-O 3.16Å; S8-V24 PolarHBondContact O-N 2.83Å; V24-L26 PolarHBondContact O-N 2.83Å; V24-L26 VanDerWaalsContact O-N 3.11Å; V24-V180 HydrophobicContact CB-CG1 3.62Å; V24-V180 HydrophobicContact CG1-CG1 3.59Å; V24-V180 HydrophobicContact CG2-CG1 3.7Å; V24-K181 VanDerWaalsContact CG2-O 3.3Å; V24-K181 WeakPolarHBondContact CG2-O 3.11Å |
| 25 | K | 38.1 | Very low | 31.1 | Very low | 90 Ų | 90 | 87.8 Ų | 87.8 | 39% | 0.391 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 112.8 | 177.4 | -174.2 | 169.7 | 169.2 | 177.8 | 0 | 110.9 | H5 L6 Y7 | H5-K25 HydrophobicContact CB-CD 3.89Å; H5-K25 HydrophobicContact CB-CG 4.07Å; H5-K25 PolarHBondContact CD2-NZ 3.29Å; H5-K25 PolarHBondContact CE1-NZ 3.14Å; H5-K25 VanDerWaalsContact CG-NZ 3.32Å; H5-K25 WeakPolarHBondContact ND1-CE 3.17Å; H5-K25 PolarHBondContact ND1-NZ 3.22Å; H5-K25 PolarHBondContact NE2-NZ 3.25Å; L6-K25 CarbonylContact O-C 3.48Å; L6-K25 WeakPolarHBondContact O-CA 3.45Å; Y7-K25 HydrophobicContact CD1-CB 4.01Å; Y7-K25 HydrophobicContact CE1-CB 3.73Å; Y7-K25 HydrophobicContact CE1-CG 4.35Å |
| 26 | L | 37.2 | Very low | 30.9 | Very low | 39 Ų | 39 | 80.3 Ų | 80.3 | 20% | 0.204 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.2 | 164.6 | -59.5 | 172.9 | 0 | 0 | 0 | 106.4 | L6 V24 R28 | L6-L26 CarbonylContact C-O 3.48Å; L6-L26 HydrophobicContact CB-CB 3.91Å; L6-L26 WeakPolarHBondContact CB-O 3.21Å; L6-L26 HydrophobicContact CD2-CB 3.66Å; L6-L26 HydrophobicContact CD2-CD1 3.92Å; L6-L26 HydrophobicContact CD2-CG 4.46Å; L6-L26 HydrophobicContact CG-CB 4.28Å; L6-L26 PolarHBondContact N-O 3.04Å; L6-L26 PolarHBondContact O-N 3.34Å; V24-L26 PolarHBondContact O-N 2.83Å; V24-L26 VanDerWaalsContact O-N 3.11Å; L26-R28 PolarHBondContact O-N 2.71Å |
| 27 | E | 32.2 | Very low | 30.5 | Very low | 158 Ų | 158 | 77.9 Ų | 77.9 | 74% | 0.738 | 45% | 0.447 | S | S | * | . | trans | -75.1 | 128.4 | -171.1 | -70.3 | 172.4 | 147.1 | 0 | 0 | 113.4 | ||||
| 28 | R | 31.4 | Very low | 30.5 | Very low | 207 Ų | 207 | 76.9 Ų | 76.9 | 78% | 0.781 | 43% | 0.431 | S | S | * | . | -176.9 | 126.1 | 125.8 | -100.1 | -179.3 | -173.8 | -176.6 | 3.4 | 108.1 | L26 I30 | L26-R28 PolarHBondContact O-N 2.71Å; R28-I30 PolarHBondContact O-N 3.02Å | |||
| 29 | D | 27.4 | Very low | 30.7 | Very low | 92 Ų | 92 | 75 Ų | 75 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | trans | -64.2 | 114 | 170.6 | -76.5 | -5.1 | 0 | 0 | 0 | 108.7 | H3 Y4 H5 | H3-D29 IonicContact CE1-OD2 3.03Å; H3-D29 IonicContact ND1-OD2 3.84Å; H3-D29 PolarHBondContact ND1-OD2 2.65Å; Y4-D29 WeakPolarHBondContact O-CA 3.42Å; H5-D29 IonicContact CE1-OD1 2.62Å; H5-D29 PolarHBondContact CE1-OD1 3.38Å; H5-D29 IonicContact ND1-OD1 2.71Å; H5-D29 PolarHBondContact ND1-OD1 3.25Å | ||
| 30 | I | 28.4 | Very low | 30.6 | Very low | 100 Ų | 100 | 76.5 Ų | 76.5 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | trans | -104.9 | 155.2 | 166.3 | -61.5 | 165 | 0 | 0 | 0 | 105.3 | Y4 R28 | Y4-I30 HydrophobicContact CD2-CB 3.58Å; Y4-I30 HydrophobicContact CD2-CG2 3.77Å; Y4-I30 WeakPolarHBondContact CD2-O 3.37Å; Y4-I30 VanDerWaalsContact CE2-C 3.46Å; Y4-I30 HydrophobicContact CE2-CB 4.33Å; Y4-I30 HydrophobicContact CE2-CG2 4.05Å; Y4-I30 WeakPolarHBondContact CE2-O 3.24Å; Y4-I30 HydrophobicContact CG-CB 4.5Å; Y4-I30 PolarHBondContact N-O 3.14Å; Y4-I30 VanDerWaalsContact N-O 3.13Å; R28-I30 PolarHBondContact O-N 3.02Å | ||
| 31 | V | 24.3 | Very low | 30.6 | Very low | 88 Ų | 88 | 73 Ų | 73 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.1 | -176.9 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | M1 | M1-V31 HydrophobicContact CG-CG1 3.86Å; M1-V31 HydrophobicContact CG-CG2 4.47Å |
| 32 | G | 26.9 | Very low | 30.6 | Very low | 33 Ų | 33 | 72.1 Ų | 72.1 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | -163 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y4 | Y4-G32 WeakPolarHBondContact OH-CA 3.19Å; Y4-G32 PolarHBondContact OH-N 3.42Å; Y4-G32 PolarHBondContact OH-O 3.37Å |
| 33 | S | 23 | Very low | 30.5 | Very low | 108 Ų | 108 | 70.7 Ų | 70.7 | 76% | 0.755 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -131.2 | 126.3 | -175.8 | 38.8 | 0 | 0 | 0 | 0 | 110 | Y4 | Y4-S33 PolarHBondContact OH-N 3.25Å; Y4-S33 VanDerWaalsContact OH-N 3.12Å |
| 34 | C | 22.8 | Very low | 30.3 | Very low | 108 Ų | 108 | 71.1 Ų | 71.1 | 73% | 0.73 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 55.8 | 113.7 | -169.9 | -87.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 35 | C | 26.3 | Very low | 30.2 | Very low | 65 Ų | 65 | 71.4 Ų | 71.4 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | trans | -142.3 | 127.4 | 179.2 | -75.5 | 0 | 0 | 0 | 0 | 112.7 | Y4 D125 | Y4-C35 HydrophobicContact CD1-CB 4.02Å; Y4-C35 HydrophobicContact CE1-CB 3.54Å; Y4-C35 WeakPolarHBondContact CE1-SG 3.32Å; Y4-C35 PolarHBondContact OH-SG 2.87Å; C35-D125 WeakPolarHBondContact CA-OD2 3.21Å | ||
| 36 | V | 28.9 | Very low | 29.7 | Very low | 26 Ų | 26 | 69.6 Ų | 69.6 | 16% | 0.158 | 37% | 0.374 | C | S | . | . | trans | -83.6 | 116.2 | 157.1 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | F38 A60 A115 D125 | V36-F38 HydrophobicContact CB-CD2 3.62Å; V36-F38 HydrophobicContact CB-CE2 3.27Å; V36-F38 HydrophobicContact CB-CZ 3.89Å; V36-F38 HydrophobicContact CG1-CD1 3.89Å; V36-F38 HydrophobicContact CG1-CD2 3.22Å; V36-F38 HydrophobicContact CG1-CE1 3.63Å; V36-F38 HydrophobicContact CG1-CE2 3.01Å; V36-F38 HydrophobicContact CG1-CG 3.74Å; V36-F38 HydrophobicContact CG1-CZ 3.23Å; V36-F38 HydrophobicContact CG2-CE2 4.17Å; V36-F38 HydrophobicContact CG2-CZ 4.46Å; V36-F38 WeakPolarHBondContact O-CD2 3.15Å; V36-F38 PolarHBondContact O-N 3.14Å; V36-A60 HydrophobicContact CB-CB 4.49Å; V36-A60 HydrophobicContact CG1-CB 3.43Å; V36-A60 VanDerWaalsContact CG1-CB 3.43Å; V36-A60 HydrophobicContact CG2-CB 4.22Å; V36-A115 HydrophobicContact CB-CB 4.48Å; V36-A115 HydrophobicContact CG1-CB 3.94Å; V36-A115 HydrophobicContact CG2-CB 3.79Å; V36-D125 HydrophobicContact CB-CB 3.92Å; V36-D125 HydrophobicContact CG2-CB 3.49Å; V36-D125 VanDerWaalsContact CG2-CB 3.49Å; V36-D125 PolarHBondContact N-OD2 3.27Å | ||
| 37 | T | 27.7 | Very low | 29.2 | Very low | 44 Ų | 44 | 74.1 Ų | 74.1 | 27% | 0.27 | 40% | 0.397 | S | S | . | . | trans | -75.9 | 89.5 | 171.9 | 39.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 38 | F | 30.1 | Very low | 29 | Very low | 22 Ų | 22 | 70.4 Ų | 70.4 | 10% | 0.096 | 38% | 0.382 | C | S | . | . | trans | -91.2 | 129.4 | 171.1 | -63.8 | -84.5 | 0 | 0 | 0 | 110.9 | V36 L58 V113 A115 A127 | V36-F38 HydrophobicContact CB-CD2 3.62Å; V36-F38 HydrophobicContact CB-CE2 3.27Å; V36-F38 HydrophobicContact CB-CZ 3.89Å; V36-F38 HydrophobicContact CG1-CD1 3.89Å; V36-F38 HydrophobicContact CG1-CD2 3.22Å; V36-F38 HydrophobicContact CG1-CE1 3.63Å; V36-F38 HydrophobicContact CG1-CE2 3.01Å; V36-F38 HydrophobicContact CG1-CG 3.74Å; V36-F38 HydrophobicContact CG1-CZ 3.23Å; V36-F38 HydrophobicContact CG2-CE2 4.17Å; V36-F38 HydrophobicContact CG2-CZ 4.46Å; V36-F38 WeakPolarHBondContact O-CD2 3.15Å; V36-F38 PolarHBondContact O-N 3.14Å; F38-L58 HydrophobicContact CD1-CB 4.15Å; F38-L58 HydrophobicContact CD1-CD1 4.14Å; F38-L58 HydrophobicContact CD1-CD2 4.22Å; F38-L58 HydrophobicContact CD1-CG 4.4Å; F38-L58 HydrophobicContact CE1-CD1 4.46Å; F38-V113 HydrophobicContact CD1-CG1 4.42Å; F38-V113 HydrophobicContact CE1-CB 4.13Å; F38-V113 HydrophobicContact CE1-CG1 3.66Å; F38-V113 HydrophobicContact CZ-CB 4.48Å; F38-V113 HydrophobicContact CZ-CG1 4.15Å; F38-V113 WeakPolarHBondContact CZ-O 3.33Å; F38-A115 HydrophobicContact CE1-CB 4.18Å; F38-A115 HydrophobicContact CZ-CB 3.7Å; F38-A127 HydrophobicContact CB-CB 3.27Å; F38-A127 HydrophobicContact CD1-CB 4.33Å; F38-A127 HydrophobicContact CD2-CB 3.02Å; F38-A127 HydrophobicContact CE2-CB 3.73Å; F38-A127 HydrophobicContact CG-CB 3.31Å | ||
| 39 | F | 31 | Very low | 28.7 | Very low | 12 Ų | 12 | 69.7 Ų | 69.7 | 5% | 0.053 | 39% | 0.385 | C | S | . | . | trans | -70.5 | 125.3 | 173.3 | -49.1 | -92.8 | 0 | 0 | 0 | 109.9 | Y7 C9 Y41 L59 | Y7-F39 WeakPolarHBondContact O-CD1 3.1Å; Y7-F39 WeakPolarHBondContact O-CE1 3.44Å; C9-F39 HydrophobicContact CB-CE1 3.91Å; C9-F39 HydrophobicContact CB-CE2 4.34Å; C9-F39 HydrophobicContact CB-CZ 3.57Å; C9-F39 WeakPolarHBondContact SG-CZ 3.46Å; F39-Y41 HydrophobicContact CB-CD2 3.17Å; F39-Y41 HydrophobicContact CB-CE2 3.02Å; F39-Y41 HydrophobicContact CB-CG 4.35Å; F39-Y41 HydrophobicContact CD1-CE2 4.12Å; F39-Y41 AromaticContact CD2-CE2 3.89Å; F39-Y41 HydrophobicContact CD2-CE2 3.89Å; F39-Y41 HydrophobicContact CG-CD2 4.09Å; F39-Y41 AromaticContact CG-CE2 3.41Å; F39-Y41 HydrophobicContact CG-CE2 3.41Å; F39-Y41 VanDerWaalsContact CG-CE2 3.41Å; F39-Y41 PolarHBondContact O-N 3.44Å; F39-L59 HydrophobicContact CE2-CB 3.84Å; F39-L59 HydrophobicContact CZ-CB 4.38Å | ||
| 40 | E | 27.6 | Very low | 28.7 | Very low | 121 Ų | 121 | 76.8 Ų | 76.8 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | trans | -71.3 | 97.3 | 162.6 | -76 | -169.6 | 153.6 | 0 | 0 | 108.6 | F42 | E40-F42 HydrophobicContact CB-CE2 4.13Š| ||
| 41 | Y | 33.2 | Very low | 28.6 | Very low | 25 Ų | 25 | 77.8 Ų | 77.8 | 10% | 0.098 | 41% | 0.41 | C | S | . | . | trans | -98.1 | 121.9 | 169.6 | -75 | -94.4 | 0 | 0 | 0 | 110.2 | C9 W10 F39 L56 | C9-Y41 PolarHBondContact O-OH 3.15Å; W10-Y41 HydrophobicContact CZ3-CE1 4.11Å; F39-Y41 HydrophobicContact CB-CD2 3.17Å; F39-Y41 HydrophobicContact CB-CE2 3.02Å; F39-Y41 HydrophobicContact CB-CG 4.35Å; F39-Y41 HydrophobicContact CD1-CE2 4.12Å; F39-Y41 AromaticContact CD2-CE2 3.89Å; F39-Y41 HydrophobicContact CD2-CE2 3.89Å; F39-Y41 HydrophobicContact CG-CD2 4.09Å; F39-Y41 AromaticContact CG-CE2 3.41Å; F39-Y41 HydrophobicContact CG-CE2 3.41Å; F39-Y41 VanDerWaalsContact CG-CE2 3.41Å; F39-Y41 PolarHBondContact O-N 3.44Å; Y41-L56 HydrophobicContact CD1-CD1 4.07Å; Y41-L56 HydrophobicContact CD2-CD1 2.88Å; Y41-L56 HydrophobicContact CD2-CG 4.33Å; Y41-L56 HydrophobicContact CE2-CD1 3.45Å; Y41-L56 VanDerWaalsContact CE2-CD1 3.45Å; Y41-L56 HydrophobicContact CG-CD1 3.19Å; Y41-L56 HydrophobicContact CG-CG 4.49Å | ||
| 42 | F | 34 | Very low | 29 | Very low | 50 Ų | 50 | 78.1 Ų | 78.1 | 22% | 0.219 | 41% | 0.412 | C | S | . | . | trans | -93.6 | 111.9 | 167.1 | -58.5 | -91.6 | 0 | 0 | 0 | 107 | E40 S130 M229 | E40-F42 HydrophobicContact CB-CE2 4.13Å; F42-S130 WeakPolarHBondContact CD1-O 3.42Å; F42-M229 HydrophobicContact CB-CB 4.12Å; F42-M229 VanDerWaalsContact O-O 3.14Å | ||
| 43 | S | 33.8 | Very low | 29.3 | Very low | 17 Ų | 17 | 80 Ų | 80 | 12% | 0.119 | 42% | 0.421 | C | S | . | . | trans | -110.5 | 124.5 | 176.2 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | I131 | S43-I131 WeakPolarHBondContact O-CG2 3.36Š| ||
| 44 | D | 36.6 | Very low | 30.2 | Very low | 54 Ų | 54 | 80 Ų | 80 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | trans | -81.4 | 118 | 173.8 | -83.1 | -49.7 | 0 | 0 | 0 | 111.1 | S134 | D44-S134 WeakPolarHBondContact OD1-CB 3.39Š| ||
| 45 | F | 33.7 | Very low | 31.5 | Very low | 40 Ų | 40 | 75.9 Ų | 75.9 | 18% | 0.175 | 38% | 0.378 | C | S | . | . | trans | -111.4 | 107 | 179 | -115.9 | -76.1 | 0 | 0 | 0 | 111.2 | F55 L97 L101 | F45-F55 HydrophobicContact CD2-CB 4.47Å; F45-F55 HydrophobicContact CE2-CB 3.46Å; F45-F55 VanDerWaalsContact CE2-CB 3.46Å; F45-F55 HydrophobicContact CE2-CD1 4.06Å; F45-F55 AromaticContact CE2-CG 3.91Å; F45-F55 HydrophobicContact CE2-CG 3.91Å; F45-F55 HydrophobicContact CZ-CB 4.1Å; F45-L97 HydrophobicContact CD1-CD2 3.55Å; F45-L97 HydrophobicContact CD2-CD2 4.46Å; F45-L97 HydrophobicContact CE1-CB 3.89Å; F45-L97 HydrophobicContact CE1-CD2 3.5Å; F45-L97 VanDerWaalsContact CE1-CD2 3.5Å; F45-L97 HydrophobicContact CE1-CG 4.28Å; F45-L97 HydrophobicContact CE2-CB 3.83Å; F45-L97 HydrophobicContact CE2-CD2 4.39Å; F45-L97 HydrophobicContact CE2-CG 4.49Å; F45-L97 HydrophobicContact CG-CD2 4.06Å; F45-L97 HydrophobicContact CZ-CB 3.45Å; F45-L97 VanDerWaalsContact CZ-CB 3.45Å; F45-L97 HydrophobicContact CZ-CD2 3.95Å; F45-L97 HydrophobicContact CZ-CG 4.24Å; F45-L101 HydrophobicContact CB-CD1 3.91Å; F45-L101 HydrophobicContact CG-CD1 4.5Å | ||
| 46 | L | 27.3 | Very low | 32.9 | Very low | 53 Ų | 53 | 73.2 Ų | 73.2 | 28% | 0.277 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -168.2 | 47.9 | 154.9 | -109 | 152 | 0 | 0 | 0 | 114.5 | S134 V137 A138 | L46-S134 WeakPolarHBondContact CD1-O 3.35Å; L46-V137 HydrophobicContact CB-CB 4.15Å; L46-V137 HydrophobicContact CB-CG1 3.95Å; L46-A138 HydrophobicContact CD1-CB 4.14Å; L46-A138 HydrophobicContact CD2-CB 3.9Å; L46-A138 HydrophobicContact CG-CB 4.46Å |
| 47 | L | 26.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 74.3 Ų | 74.3 | 70% | 0.702 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -163 | 2.4 | 159.6 | -110.9 | 136.2 | 0 | 0 | 0 | 118.6 | K49 V137 | L47-K49 PolarHBondContact O-N 3.44Å; L47-V137 HydrophobicContact CD1-CG1 4.28Å |
| 48 | L | 28.3 | Very low | 35.6 | Very low | 80 Ų | 80 | 72.2 Ų | 72.2 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | trans | -95 | 48.1 | -177.6 | -67.3 | 161 | 0 | 0 | 0 | 113.8 | R50 L51 L148 | L48-R50 PolarHBondContact O-N 3.47Å; L48-L51 WeakPolarHBondContact CD2-O 3.48Å; L48-L148 HydrophobicContact CD1-CD1 4Å; L48-L148 HydrophobicContact CD1-CD2 4.47Å; L48-L148 HydrophobicContact CD2-CD1 3.96Å | ||
| 49 | K | 26.2 | Very low | 36.9 | Very low | 192 Ų | 192 | 72.6 Ų | 72.6 | 84% | 0.835 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -66.5 | -1.7 | 173.6 | -99 | -167.2 | 177.6 | -173.2 | 0 | 114.1 | L47 | L47-K49 PolarHBondContact O-N 3.44Š|
| 50 | R | 25.9 | Very low | 38.1 | Very low | 240 Ų | 240 | 72.4 Ų | 72.4 | 91% | 0.906 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -148.1 | -3.9 | -174.1 | -102.3 | 177.4 | -176.2 | -177.3 | -1.4 | 118.6 | L48 | L48-R50 PolarHBondContact O-N 3.47Š|
| 51 | L | 25.8 | Very low | 39.5 | Very low | 121 Ų | 121 | 72.5 Ų | 72.5 | 63% | 0.634 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -144.3 | 122.2 | -176.2 | -71.2 | 164 | 0 | 0 | 0 | 110.2 | L48 | L48-L51 WeakPolarHBondContact CD2-O 3.48Š|
| 52 | T | 33 | Very low | 40.7 | Very low | 95 Ų | 95 | 73.2 Ų | 73.2 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | trans | 74.6 | 116.1 | 178.2 | 74.1 | 0 | 0 | 0 | 0 | 116.8 | L148 | T52-L148 HydrophobicContact CG2-CD1 4.05Å; T52-L148 WeakPolarHBondContact OG1-CD1 3.15Å | ||
| 53 | S | 33.5 | Very low | 42.2 | Very low | 74 Ų | 74 | 79.9 Ų | 79.9 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -92.3 | 11.3 | -167.7 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | R96 | S53-R96 WeakPolarHBondContact O-CD 3.2Å; S53-R96 WeakPolarHBondContact O-CG 3.3Å; S53-R96 PolarHBondContact O-NE 3.27Å |
| 54 | H | 43.4 | Very low | 43.6 | Very low | 107 Ų | 107 | 83.8 Ų | 83.8 | 50% | 0.495 | 41% | 0.414 | S | S | . | . | trans | -125.7 | 125.6 | -172.3 | -56.9 | 71.4 | 0 | 0 | 0 | 108.8 | V94 R96 | H54-V94 HydrophobicContact CB-CG1 3.83Å; H54-V94 WeakPolarHBondContact CD2-CG1 3.22Å; H54-R96 PolarHBondContact CE1-NH2 3.03Å; H54-R96 PolarHBondContact NE2-NH2 3Å | ||
| 55 | F | 49 | Very low | 44.5 | Very low | 21 Ų | 21 | 87.1 Ų | 87.1 | 9% | 0.092 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -109.6 | -21.6 | -178.9 | 78.2 | -114.5 | 0 | 0 | 0 | 114.7 | F45 F86 V95 R96 F111 I131 | F45-F55 HydrophobicContact CD2-CB 4.47Å; F45-F55 HydrophobicContact CE2-CB 3.46Å; F45-F55 VanDerWaalsContact CE2-CB 3.46Å; F45-F55 HydrophobicContact CE2-CD1 4.06Å; F45-F55 AromaticContact CE2-CG 3.91Å; F45-F55 HydrophobicContact CE2-CG 3.91Å; F45-F55 HydrophobicContact CZ-CB 4.1Å; F55-F86 HydrophobicContact CE1-CB 4.45Å; F55-F86 AromaticContact CE1-CD1 3.52Å; F55-F86 HydrophobicContact CE1-CD1 3.52Å; F55-F86 HydrophobicContact CE1-CE1 4.26Å; F55-F86 HydrophobicContact CE1-CG 4.39Å; F55-F86 HydrophobicContact CE2-CD1 4.35Å; F55-F86 HydrophobicContact CZ-CB 4.28Å; F55-F86 AromaticContact CZ-CD1 3.36Å; F55-F86 HydrophobicContact CZ-CD1 3.36Å; F55-F86 AromaticContact CZ-CE1 3.99Å; F55-F86 HydrophobicContact CZ-CE1 3.99Å; F55-F86 HydrophobicContact CZ-CG 4.05Å; F55-V95 HydrophobicContact CD1-CB 4.26Å; F55-V95 WeakPolarHBondContact CD1-O 3.47Å; F55-V95 HydrophobicContact CD2-CB 4.29Å; F55-V95 HydrophobicContact CE1-CB 3.5Å; F55-V95 HydrophobicContact CE1-CG1 3.39Å; F55-V95 VanDerWaalsContact CE1-O 3.24Å; F55-V95 WeakPolarHBondContact CE1-O 3.44Å; F55-V95 HydrophobicContact CE2-CB 3.56Å; F55-V95 HydrophobicContact CE2-CG1 3.85Å; F55-V95 HydrophobicContact CE2-CG2 4.46Å; F55-V95 WeakPolarHBondContact CG-O 3.49Å; F55-V95 HydrophobicContact CZ-CB 3.14Å; F55-V95 HydrophobicContact CZ-CG1 2.98Å; F55-V95 HydrophobicContact CZ-CG2 4.31Å; F55-V95 PolarHBondContact N-O 3.17Å; F55-V95 VanDerWaalsContact N-O 3.11Å; F55-R96 VanDerWaalsContact CD1-N 3.32Å; F55-R96 WeakPolarHBondContact CE1-O 3.23Å; F55-F111 HydrophobicContact CZ-CZ 4.35Å; F55-I131 HydrophobicContact CD2-CD1 4.48Å; F55-I131 HydrophobicContact CE2-CD1 3.68Å; F55-I131 HydrophobicContact CZ-CD1 4.05Å |
| 56 | L | 54.7 | Low | 45.4 | Very low | 10 Ų | 10 | 92 Ų | 92 | 5% | 0.052 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 139.8 | -172.8 | 163 | 52.7 | 0 | 0 | 0 | 106.2 | Y41 L58 V94 V95 V129 | Y41-L56 HydrophobicContact CD1-CD1 4.07Å; Y41-L56 HydrophobicContact CD2-CD1 2.88Å; Y41-L56 HydrophobicContact CD2-CG 4.33Å; Y41-L56 HydrophobicContact CE2-CD1 3.45Å; Y41-L56 VanDerWaalsContact CE2-CD1 3.45Å; Y41-L56 HydrophobicContact CG-CD1 3.19Å; Y41-L56 HydrophobicContact CG-CG 4.49Å; L56-L58 HydrophobicContact CD1-CD2 3.88Å; L56-L58 HydrophobicContact CD1-CG 4.24Å; L56-L58 HydrophobicContact CD2-CD2 4.19Å; L56-L58 HydrophobicContact CD2-CG 4.3Å; L56-L58 HydrophobicContact CG-CD2 4.19Å; L56-L58 HydrophobicContact CG-CG 4.13Å; L56-V94 CarbonylContact O-C 3.55Å; L56-V94 VanDerWaalsContact O-CA 3.3Å; L56-V94 WeakPolarHBondContact O-CA 3.35Å; L56-V95 HydrophobicContact CB-CB 4.14Å; L56-V95 HydrophobicContact CB-CG2 4.18Å; L56-V95 HydrophobicContact CD2-CB 4.37Å; L56-V95 HydrophobicContact CD2-CG2 3.86Å; L56-V95 HydrophobicContact CG-CB 4.28Å; L56-V95 HydrophobicContact CG-CG2 3.78Å; L56-V95 PolarHBondContact O-N 3.22Å; L56-V129 HydrophobicContact CD2-CG1 3.7Å; L56-V129 HydrophobicContact CD2-CG2 4.44Å |
| 57 | Q | 56.8 | Low | 46.9 | Very low | 48 Ų | 48 | 95.3 Ų | 95.3 | 22% | 0.224 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.9 | 165.8 | -170.1 | 170.1 | 1.3 | 0 | 0 | 109.5 | F11 S92 V94 | F11-Q57 HydrophobicContact CD2-CB 4.44Å; F11-Q57 HydrophobicContact CD2-CG 3.98Å; F11-Q57 HydrophobicContact CE2-CG 4.12Å; Q57-S92 WeakPolarHBondContact CG-O 3.07Å; Q57-S92 PolarHBondContact NE2-O 2.91Å; Q57-V94 HydrophobicContact CB-CG2 4.18Å; Q57-V94 HydrophobicContact CG-CG2 3.83Å |
| 58 | L | 58.5 | Low | 49.1 | Very low | 0 Ų | 0 | 94.1 Ų | 94.1 | 0% | 0 | 47% | 0.471 | C | S | . | . | trans | -98.4 | 136.8 | 175.6 | -63.6 | 172.5 | 0 | 0 | 0 | 108.8 | F38 L56 I88 G93 V95 V113 V129 | F38-L58 HydrophobicContact CD1-CB 4.15Å; F38-L58 HydrophobicContact CD1-CD1 4.14Å; F38-L58 HydrophobicContact CD1-CD2 4.22Å; F38-L58 HydrophobicContact CD1-CG 4.4Å; F38-L58 HydrophobicContact CE1-CD1 4.46Å; L56-L58 HydrophobicContact CD1-CD2 3.88Å; L56-L58 HydrophobicContact CD1-CG 4.24Å; L56-L58 HydrophobicContact CD2-CD2 4.19Å; L56-L58 HydrophobicContact CD2-CG 4.3Å; L56-L58 HydrophobicContact CG-CD2 4.19Å; L56-L58 HydrophobicContact CG-CG 4.13Å; L58-I88 HydrophobicContact CD1-CD1 4Å; L58-G93 PolarHBondContact N-O 2.86Å; L58-G93 WeakPolarHBondContact O-CA 3.49Å; L58-V95 HydrophobicContact CD1-CG2 3.98Å; L58-V95 HydrophobicContact CG-CG2 4.27Å; L58-V113 HydrophobicContact CD1-CB 3.79Å; L58-V113 HydrophobicContact CD1-CG1 3.64Å; L58-V113 HydrophobicContact CD1-CG2 3.56Å; L58-V129 HydrophobicContact CD1-CG2 4.07Å; L58-V129 HydrophobicContact CD2-CG2 4.48Å | ||
| 59 | L | 56.6 | Low | 51.3 | Low | 31 Ų | 31 | 91.2 Ų | 91.2 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | trans | -121.1 | 126.5 | 174.2 | -175.1 | 73.4 | 0 | 0 | 0 | 109 | C9 F11 F39 L61 Y71 | C9-L59 HydrophobicContact CB-CD2 4.48Å; F11-L59 HydrophobicContact CE1-CD1 4.28Å; F11-L59 HydrophobicContact CE2-CB 4.29Å; F11-L59 HydrophobicContact CZ-CB 3.96Å; F11-L59 HydrophobicContact CZ-CD1 3.72Å; F11-L59 HydrophobicContact CZ-CD2 3.81Å; F11-L59 HydrophobicContact CZ-CG 4Å; F39-L59 HydrophobicContact CE2-CB 3.84Å; F39-L59 HydrophobicContact CZ-CB 4.38Å; L59-L61 HydrophobicContact CD2-CD2 3.93Å; L59-L61 HydrophobicContact CD2-CG 4.29Å; L59-L61 HydrophobicContact CG-CD2 4.3Å; L59-Y71 WeakPolarHBondContact CA-OH 3.34Å | ||
| 60 | A | 55.8 | Low | 54.2 | Low | 7 Ų | 7 | 86.2 Ų | 86.2 | 6% | 0.058 | 44% | 0.436 | C | S | . | . | trans | -110.6 | 139.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | V36 V69 Y71 A115 | V36-A60 HydrophobicContact CB-CB 4.49Å; V36-A60 HydrophobicContact CG1-CB 3.43Å; V36-A60 VanDerWaalsContact CG1-CB 3.43Å; V36-A60 HydrophobicContact CG2-CB 4.22Å; A60-V69 HydrophobicContact CB-CG1 3.76Å; A60-Y71 HydrophobicContact CB-CE1 3.68Å; A60-Y71 PolarHBondContact N-OH 3.04Å; A60-A115 HydrophobicContact CB-CB 3.45Å; A60-A115 VanDerWaalsContact CB-CB 3.45Å | ||
| 61 | L | 57.2 | Low | 57 | Low | 123 Ų | 123 | 75.4 Ų | 75.4 | 64% | 0.644 | 40% | 0.396 | S | S | * | . | trans | -109.9 | 130.7 | 175.6 | -64.7 | 172.7 | 0 | 0 | 0 | 108.1 | L59 | L59-L61 HydrophobicContact CD2-CD2 3.93Å; L59-L61 HydrophobicContact CD2-CG 4.29Å; L59-L61 HydrophobicContact CG-CD2 4.3Å | ||
| 62 | D | 58.6 | Low | 60 | Low | 41 Ų | 41 | 72.2 Ų | 72.2 | 22% | 0.219 | 38% | 0.383 | C | S | . | . | trans | -108.4 | 132.6 | 167.8 | -170.5 | -3.3 | 0 | 0 | 0 | 107.1 | D64 V69 D117 | D62-D64 VanDerWaalsContact C-N 3.32Å; D62-D64 PolarHBondContact OD1-N 2.83Å; D62-V69 HydrophobicContact CB-CG2 3.77Å; D62-D117 VanDerWaalsContact OD2-CB 3.26Å; D62-D117 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 63 | E | 64.4 | Low | 62.6 | Low | 190 Ų | 190 | 69.2 Ų | 69.2 | 89% | 0.888 | 36% | 0.364 | S | S | * | . | trans | -88.5 | -5.1 | -178.2 | -69 | -174.3 | 174.2 | 0 | 0 | 112 | ||||
| 64 | D | 63 | Low | 65.1 | Low | 98 Ų | 98 | 70.5 Ų | 70.5 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -80.1 | 147.1 | -179.9 | -76.9 | -30 | 0 | 0 | 0 | 112.5 | D62 M66 | D62-D64 VanDerWaalsContact C-N 3.32Å; D62-D64 PolarHBondContact OD1-N 2.83Å; D64-M66 PolarHBondContact O-N 2.79Å |
| 65 | P | 55.5 | Low | 66.9 | Low | 124 Ų | 124 | 72 Ų | 72 | 81% | 0.805 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -61.6 | 3.7 | -176.3 | -21.2 | 31.5 | 0 | 0 | 0 | 116.7 | ||
| 66 | M | 53.3 | Low | 68.1 | Low | 144 Ų | 144 | 72.4 Ų | 72.4 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -119.1 | 53.4 | -176.4 | -72.3 | -88.9 | -70.5 | 0 | 0 | 110 | D64 K68 | D64-M66 PolarHBondContact O-N 2.79Å; M66-K68 PolarHBondContact O-N 3.41Å |
| 67 | D | 59.4 | Low | 69 | Low | 122 Ų | 122 | 82.9 Ų | 82.9 | 65% | 0.652 | 41% | 0.413 | S | S | * | . | trans | -45.1 | 11 | -171.4 | -77.5 | -26.5 | 0 | 0 | 0 | 120 | V69 | D67-V69 PolarHBondContact O-N 3.45Š| ||
| 68 | K | 72.6 | Confident | 69.6 | Low | 108 Ų | 108 | 90.6 Ų | 90.6 | 47% | 0.47 | 44% | 0.44 | S | S | . | . | trans | -87.2 | 98.2 | -178.1 | -163.2 | -168.4 | -175.4 | -149.1 | 0 | 111 | M66 E70 S118 | M66-K68 PolarHBondContact O-N 3.41Å; K68-E70 IonicContact NZ-OE1 3.61Å; K68-E70 PolarHBondContact NZ-OE1 2.75Å; K68-S118 PolarHBondContact O-N 2.91Å; K68-S118 PolarHBondContact O-OG 2.81Å | ||
| 69 | V | 74.5 | Confident | 70.4 | Confident | 20 Ų | 20 | 92 Ų | 92 | 12% | 0.121 | 45% | 0.446 | C | S | . | . | trans | -90.7 | 131.1 | 168.7 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | A60 D62 D67 Y71 A115 T116 | A60-V69 HydrophobicContact CB-CG1 3.76Å; D62-V69 HydrophobicContact CB-CG2 3.77Å; D67-V69 PolarHBondContact O-N 3.45Å; V69-Y71 HydrophobicContact CG1-CE1 4.49Å; V69-A115 HydrophobicContact CG1-CB 3.73Å; V69-T116 WeakPolarHBondContact CA-O 2.77Å | ||
| 70 | E | 86.2 | Confident | 71.3 | Confident | 87 Ų | 87 | 96.3 Ų | 96.3 | 41% | 0.407 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.5 | 172.9 | -69.8 | -170.2 | 173.8 | 0 | 0 | 111.8 | K68 A90 A115 T116 | K68-E70 IonicContact NZ-OE1 3.61Å; K68-E70 PolarHBondContact NZ-OE1 2.75Å; E70-A90 CarbonylContact C-O 3.59Å; E70-A90 VanDerWaalsContact CA-O 3.32Å; E70-A90 WeakPolarHBondContact CA-O 3.38Å; E70-A115 WeakPolarHBondContact O-CA 3.36Å; E70-T116 PolarHBondContact N-O 3.48Å; E70-T116 PolarHBondContact O-N 2.94Å |
| 71 | Y | 84.4 | Confident | 72.2 | Confident | 13 Ų | 13 | 100.6 Ų | 100.6 | 5% | 0.051 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.9 | 180 | -54.7 | -87.6 | 0 | 0 | 0 | 112.3 | L59 A60 V69 I88 A90 V114 A115 | L59-Y71 WeakPolarHBondContact CA-OH 3.34Å; A60-Y71 HydrophobicContact CB-CE1 3.68Å; A60-Y71 PolarHBondContact N-OH 3.04Å; V69-Y71 HydrophobicContact CG1-CE1 4.49Å; Y71-I88 HydrophobicContact CG-CD1 4.3Å; Y71-A90 WeakPolarHBondContact CD2-O 3.36Å; Y71-A90 PolarHBondContact N-O 3.45Å; Y71-A90 WeakPolarHBondContact O-CA 3.37Å; Y71-V114 CarbonylContact C-O 3.52Å; Y71-V114 WeakPolarHBondContact CA-O 3.2Å; Y71-A115 HydrophobicContact CD1-CB 4.13Å; Y71-A115 HydrophobicContact CE1-CB 4.23Å |
| 72 | S | 89.9 | Confident | 72.9 | Confident | 54 Ų | 54 | 94.9 Ų | 94.9 | 38% | 0.378 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 150.2 | 175 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | V113 V114 | S72-V113 CarbonylContact O-C 3.39Å; S72-V113 WeakPolarHBondContact O-CA 3.05Å; S72-V114 PolarHBondContact N-O 2.84Å; S72-V114 PolarHBondContact O-N 3.11Å |
| 73 | I | 87.1 | Confident | 73.9 | Confident | 32 Ų | 32 | 93.1 Ų | 93.1 | 16% | 0.164 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.9 | 170.2 | -66.2 | 170 | 0 | 0 | 0 | 108.2 | M75 D83 F86 I88 V95 F111 S112 V113 | I73-M75 PolarHBondContact O-N 2.8Å; I73-D83 HydrophobicContact CG2-CB 4.33Å; I73-F86 HydrophobicContact CD1-CB 3.88Å; I73-I88 HydrophobicContact CD1-CB 4.23Å; I73-I88 HydrophobicContact CD1-CG2 4.3Å; I73-I88 HydrophobicContact CG1-CB 4.08Å; I73-I88 HydrophobicContact CG1-CG2 3.78Å; I73-V95 HydrophobicContact CD1-CG1 4.28Å; I73-F111 HydrophobicContact CD1-CD2 4.22Å; I73-F111 HydrophobicContact CD1-CE2 4.21Å; I73-F111 HydrophobicContact CG1-CD2 4.05Å; I73-F111 HydrophobicContact CG1-CE2 4.18Å; I73-F111 HydrophobicContact CG2-CB 4.47Å; I73-F111 HydrophobicContact CG2-CD2 4.1Å; I73-S112 CarbonylContact C-O 3.57Å; I73-S112 WeakPolarHBondContact CA-O 3.34Å; I73-V113 HydrophobicContact CG1-CG2 4.32Å |
| 74 | K | 86.8 | Confident | 74.8 | Confident | 101 Ų | 101 | 88.3 Ų | 88.3 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111.9 | 176.7 | -178.6 | -179.7 | -175.8 | 174.2 | 0 | 110 | S76 S112 V114 E126 | K74-S76 PolarHBondContact O-N 2.74Å; K74-S112 PolarHBondContact N-O 2.79Å; K74-V114 HydrophobicContact CB-CG2 3.68Å; K74-V114 HydrophobicContact CD-CG2 3.91Å; K74-V114 HydrophobicContact CG-CG2 4.35Å; K74-E126 HydrophobicContact CD-CG 4.43Å; K74-E126 VanDerWaalsContact CD-OE2 3.31Å; K74-E126 WeakPolarHBondContact CD-OE2 3.42Å; K74-E126 WeakPolarHBondContact CE-OE2 3.31Å; K74-E126 IonicContact NZ-OE2 2.73Å; K74-E126 PolarHBondContact NZ-OE2 3.24Å |
| 75 | M | 80.9 | Confident | 75.5 | Confident | 139 Ų | 139 | 84.6 Ų | 84.6 | 69% | 0.685 | 40% | 0.399 | S | S | * | . | trans | -57.6 | 110.9 | 174.2 | -72.2 | -73.6 | -171.9 | 0 | 0 | 110.6 | I73 D83 | I73-M75 PolarHBondContact O-N 2.8Å; M75-D83 WeakPolarHBondContact CA-OD2 3.32Å; M75-D83 HydrophobicContact CE-CB 4.45Å; M75-D83 HydrophobicContact SD-CB 3.53Å; M75-D83 VanDerWaalsContact SD-CB 3.53Å | ||
| 76 | S | 74.8 | Confident | 76.6 | Confident | 28 Ų | 28 | 79 Ų | 79 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | trans | -105.2 | 135.9 | -176.9 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | K74 R78 F79 K80 D83 | K74-S76 PolarHBondContact O-N 2.74Å; S76-R78 PolarHBondContact O-N 3.08Å; S76-R78 WeakPolarHBondContact OG-CB 3.3Å; S76-R78 PolarHBondContact OG-N 3.46Å; S76-R78 VanDerWaalsContact OG-N 3.11Å; S76-F79 CarbonylContact O-C 3.59Å; S76-F79 PolarHBondContact O-N 3.11Å; S76-F79 VanDerWaalsContact O-N 3.12Å; S76-K80 WeakPolarHBondContact O-CG 3.47Å; S76-K80 PolarHBondContact O-N 2.82Å; S76-D83 PolarHBondContact N-OD2 2.89Å | ||
| 77 | R | 73.5 | Confident | 78.2 | Confident | 230 Ų | 230 | 76.2 Ų | 76.2 | 87% | 0.868 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.5 | 170.4 | -70 | -173.7 | -178.5 | -175.2 | 2.1 | 112 | ||
| 78 | R | 69.6 | Low | 79.4 | Confident | 211 Ų | 211 | 71.8 Ų | 71.8 | 80% | 0.796 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -26.7 | 179.8 | -165.3 | 179.2 | -178.9 | 177.6 | 1.8 | 112.3 | S76 | S76-R78 PolarHBondContact O-N 3.08Å; S76-R78 WeakPolarHBondContact OG-CB 3.3Å; S76-R78 PolarHBondContact OG-N 3.46Å; S76-R78 VanDerWaalsContact OG-N 3.11Å |
| 79 | F | 74.5 | Confident | 79.8 | Confident | 30 Ų | 30 | 69 Ų | 69 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 16.6 | -169.2 | -56.1 | -42.2 | 0 | 0 | 0 | 114.4 | S76 E81 A82 D83 K110 T128 | S76-F79 CarbonylContact O-C 3.59Å; S76-F79 PolarHBondContact O-N 3.11Å; S76-F79 VanDerWaalsContact O-N 3.12Å; F79-E81 CarbonylContact O-C 3.59Å; F79-E81 PolarHBondContact O-N 3.49Å; F79-A82 WeakPolarHBondContact O-CB 3.26Å; F79-A82 PolarHBondContact O-N 2.98Å; F79-D83 PolarHBondContact O-N 3.25Å; F79-K110 WeakPolarHBondContact CB-O 3.26Å; F79-K110 HydrophobicContact CD1-CB 3.79Å; F79-K110 WeakPolarHBondContact CD1-O 3.27Å; F79-K110 HydrophobicContact CD2-CB 4.45Å; F79-K110 HydrophobicContact CE1-CB 3.54Å; F79-K110 HydrophobicContact CE1-CD 4.24Å; F79-K110 HydrophobicContact CE1-CG 4.33Å; F79-K110 HydrophobicContact CE2-CB 4.22Å; F79-K110 HydrophobicContact CG-CB 4.27Å; F79-K110 WeakPolarHBondContact CG-O 3.44Å; F79-K110 HydrophobicContact CZ-CB 3.76Å; F79-K110 HydrophobicContact CZ-CD 4.29Å; F79-T128 HydrophobicContact CE2-CG2 4.13Å; F79-T128 HydrophobicContact CZ-CG2 4.25Å |
| 80 | K | 74.5 | Confident | 80.5 | Confident | 121 Ų | 121 | 70.1 Ų | 70.1 | 53% | 0.526 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | -32.6 | -173.6 | -67.7 | -172.3 | 179.6 | -176.8 | 0 | 115.9 | S76 K84 | S76-K80 WeakPolarHBondContact O-CG 3.47Å; S76-K80 PolarHBondContact O-N 2.82Å; K80-K84 WeakPolarHBondContact O-CE 3.31Å; K80-K84 WeakPolarHBondContact O-CG 3.32Å |
| 81 | E | 75 | Confident | 80.3 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -35.5 | 178.3 | -69.3 | -52.1 | 126.8 | 0 | 0 | 112.5 | F79 K84 H85 F104 | F79-E81 CarbonylContact O-C 3.59Å; F79-E81 PolarHBondContact O-N 3.49Å; E81-K84 IonicContact OE1-NZ 3.32Å; E81-K84 PolarHBondContact OE1-NZ 3.22Å; E81-K84 IonicContact OE2-NZ 4Å; E81-H85 PolarHBondContact O-CD2 2.79Å; E81-F104 HydrophobicContact CB-CZ 4.33Å |
| 82 | A | 72.4 | Confident | 79.6 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F79 K84 H85 F86 L109 K110 F111 | F79-A82 WeakPolarHBondContact O-CB 3.26Å; F79-A82 PolarHBondContact O-N 2.98Å; A82-K84 PolarHBondContact O-N 3.47Å; A82-H85 PolarHBondContact O-N 3.01Å; A82-F86 HydrophobicContact CB-CE2 4.36Å; A82-F86 WeakPolarHBondContact O-CD2 3.23Å; A82-L109 HydrophobicContact CB-CB 4.02Å; A82-L109 HydrophobicContact CB-CD2 4.1Å; A82-K110 WeakPolarHBondContact CB-O 3.04Å; A82-F111 HydrophobicContact CB-CB 4.39Å |
| 83 | D | 79.3 | Confident | 78.6 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.5 | -175.5 | -54.5 | -24.3 | 0 | 0 | 0 | 113.2 | I73 M75 S76 F79 F111 | I73-D83 HydrophobicContact CG2-CB 4.33Å; M75-D83 WeakPolarHBondContact CA-OD2 3.32Å; M75-D83 HydrophobicContact CE-CB 4.45Å; M75-D83 HydrophobicContact SD-CB 3.53Å; M75-D83 VanDerWaalsContact SD-CB 3.53Å; S76-D83 PolarHBondContact N-OD2 2.89Å; F79-D83 PolarHBondContact O-N 3.25Å; D83-F111 VanDerWaalsContact OD1-CB 3.25Å; D83-F111 WeakPolarHBondContact OD1-CB 3.15Å |
| 84 | K | 83 | Confident | 77.7 | Confident | 89 Ų | 89 | 67.9 Ų | 67.9 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16.5 | 178.6 | -64.9 | 170.2 | -171.8 | 167.3 | 0 | 113.8 | K80 E81 A82 R99 | K80-K84 WeakPolarHBondContact O-CE 3.31Å; K80-K84 WeakPolarHBondContact O-CG 3.32Å; E81-K84 IonicContact OE1-NZ 3.32Å; E81-K84 PolarHBondContact OE1-NZ 3.22Å; E81-K84 IonicContact OE2-NZ 4Å; A82-K84 PolarHBondContact O-N 3.47Å; K84-R99 WeakPolarHBondContact O-CD 3.1Å |
| 85 | H | 78.1 | Confident | 77 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -14.2 | -173.5 | -73.1 | -103.7 | 0 | 0 | 0 | 113 | E81 A82 L97 R98 R99 N100 L101 F104 | E81-H85 PolarHBondContact O-CD2 2.79Å; A82-H85 PolarHBondContact O-N 3.01Å; H85-L97 HydrophobicContact CB-CD1 4.5Å; H85-L97 CarbonylContact O-C 3.58Å; H85-L97 WeakPolarHBondContact O-CD1 3.4Å; H85-R98 PolarHBondContact O-N 3.33Å; H85-R99 HydrophobicContact CB-CB 4.44Å; H85-R99 WeakPolarHBondContact ND1-CB 3.11Å; H85-R99 PolarHBondContact ND1-O 3.2Å; H85-R99 PolarHBondContact O-N 2.99Å; H85-N100 PolarHBondContact CE1-O 3.41Å; H85-N100 PolarHBondContact ND1-O 3.48Å; H85-L101 HydrophobicContact CB-CD2 3.68Å; H85-F104 AromaticContact CE1-CE2 3.59Å; H85-F104 AromaticContact NE2-CE2 3.64Å |
| 86 | F | 79.7 | Confident | 76.4 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 150.2 | -177.8 | -53.3 | -68.7 | 0 | 0 | 0 | 110.8 | F55 I73 A82 V95 R96 L97 L101 L109 F111 I131 | F55-F86 HydrophobicContact CE1-CB 4.45Å; F55-F86 AromaticContact CE1-CD1 3.52Å; F55-F86 HydrophobicContact CE1-CD1 3.52Å; F55-F86 HydrophobicContact CE1-CE1 4.26Å; F55-F86 HydrophobicContact CE1-CG 4.39Å; F55-F86 HydrophobicContact CE2-CD1 4.35Å; F55-F86 HydrophobicContact CZ-CB 4.28Å; F55-F86 AromaticContact CZ-CD1 3.36Å; F55-F86 HydrophobicContact CZ-CD1 3.36Å; F55-F86 AromaticContact CZ-CE1 3.99Å; F55-F86 HydrophobicContact CZ-CE1 3.99Å; F55-F86 HydrophobicContact CZ-CG 4.05Å; I73-F86 HydrophobicContact CD1-CB 3.88Å; A82-F86 HydrophobicContact CB-CE2 4.36Å; A82-F86 WeakPolarHBondContact O-CD2 3.23Å; F86-V95 HydrophobicContact CB-CG1 4.08Å; F86-R96 WeakPolarHBondContact CA-O 3.2Å; F86-L97 HydrophobicContact CD1-CD1 3.83Å; F86-L97 HydrophobicContact CE1-CD1 3.49Å; F86-L97 VanDerWaalsContact CE1-CD1 3.49Å; F86-L97 HydrophobicContact CZ-CD1 4.32Å; F86-L101 HydrophobicContact CE1-CD1 4.21Å; F86-L101 HydrophobicContact CZ-CD1 4.01Å; F86-L101 HydrophobicContact CZ-CD2 4.1Å; F86-L109 HydrophobicContact CE2-CB 4.32Å; F86-L109 HydrophobicContact CE2-CD1 4.02Å; F86-L109 HydrophobicContact CZ-CD1 3.96Å; F86-F111 AromaticContact CD2-CD1 3.65Å; F86-F111 HydrophobicContact CD2-CD1 3.65Å; F86-F111 AromaticContact CD2-CE1 3.8Å; F86-F111 HydrophobicContact CD2-CE1 3.8Å; F86-F111 HydrophobicContact CD2-CG 4.28Å; F86-F111 AromaticContact CE2-CD1 3.98Å; F86-F111 HydrophobicContact CE2-CD1 3.98Å; F86-F111 HydrophobicContact CE2-CE1 4.14Å; F86-F111 HydrophobicContact CG-CD1 4.34Å; F86-F111 HydrophobicContact CG-CE1 4.1Å; F86-F111 HydrophobicContact CG-CZ 4.44Å; F86-I131 HydrophobicContact CD1-CD1 4.04Å; F86-I131 HydrophobicContact CE1-CD1 3.39Å; F86-I131 HydrophobicContact CE2-CD1 4.04Å; F86-I131 HydrophobicContact CZ-CB 4.42Å; F86-I131 HydrophobicContact CZ-CD1 3.41Å; F86-I131 VanDerWaalsContact CZ-CD1 3.41Å; F86-I131 HydrophobicContact CZ-CG1 4.46Å; F86-I131 HydrophobicContact CZ-CG2 4.35Å |
| 87 | E | 85.7 | Confident | 76.1 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 41% | 0.407 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.6 | 168.3 | 65 | -172.4 | -167.5 | 0 | 0 | 108.1 | V95 R96 | E87-V95 CarbonylContact O-C 3.47Å; E87-V95 WeakPolarHBondContact O-CA 3.1Å; E87-V95 WeakPolarHBondContact O-CG1 3.37Å; E87-R96 HydrophobicContact CG-CB 3.71Å; E87-R96 PolarHBondContact N-O 2.98Å; E87-R96 PolarHBondContact O-N 2.9Å |
| 88 | I | 84.3 | Confident | 76.3 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.2 | 177 | -169 | 164.2 | 0 | 0 | 0 | 109.2 | L58 Y71 I73 A90 V94 V95 V113 | L58-I88 HydrophobicContact CD1-CD1 4Å; Y71-I88 HydrophobicContact CG-CD1 4.3Å; I73-I88 HydrophobicContact CD1-CB 4.23Å; I73-I88 HydrophobicContact CD1-CG2 4.3Å; I73-I88 HydrophobicContact CG1-CB 4.08Å; I73-I88 HydrophobicContact CG1-CG2 3.78Å; I88-A90 PolarHBondContact O-N 3.05Å; I88-V94 CarbonylContact C-O 3.53Å; I88-V94 WeakPolarHBondContact CA-O 3.37Å; I88-V95 HydrophobicContact CB-CG1 4.36Å; I88-V95 HydrophobicContact CB-CG2 4.4Å; I88-V95 HydrophobicContact CD1-CG2 3.85Å; I88-V95 HydrophobicContact CG1-CG2 3.98Å; I88-V113 HydrophobicContact CD1-CG1 3.63Å; I88-V113 HydrophobicContact CD1-CG2 4.31Å |
| 89 | D | 82.7 | Confident | 76.6 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | trans | -71.8 | 119.3 | 169.2 | -175.5 | -85.8 | 0 | 0 | 0 | 108.8 | T91 S92 G93 V94 R96 | D89-T91 PolarHBondContact O-N 2.82Å; D89-T91 VanDerWaalsContact O-N 3.14Å; D89-T91 PolarHBondContact OD1-N 2.98Å; D89-T91 PolarHBondContact OD1-OG1 3.46Å; D89-S92 WeakPolarHBondContact CB-OG 3.49Å; D89-S92 WeakPolarHBondContact OD1-CB 3.5Å; D89-S92 PolarHBondContact OD1-N 2.96Å; D89-S92 PolarHBondContact OD1-OG 3.46Å; D89-G93 WeakPolarHBondContact O-CA 3.4Å; D89-G93 PolarHBondContact O-N 2.9Å; D89-V94 HydrophobicContact CB-CB 4.13Å; D89-V94 PolarHBondContact N-O 2.98Å; D89-R96 IonicContact OD2-NH1 3.35Å | ||
| 90 | A | 88.5 | Confident | 76.3 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E70 Y71 I88 | E70-A90 CarbonylContact C-O 3.59Å; E70-A90 VanDerWaalsContact CA-O 3.32Å; E70-A90 WeakPolarHBondContact CA-O 3.38Å; Y71-A90 WeakPolarHBondContact CD2-O 3.36Å; Y71-A90 PolarHBondContact N-O 3.45Å; Y71-A90 WeakPolarHBondContact O-CA 3.37Å; I88-A90 PolarHBondContact O-N 3.05Å |
| 91 | T | 81.2 | Confident | 76 | Confident | 99 Ų | 99 | 50.7 Ų | 50.7 | 61% | 0.607 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -41.9 | -177.1 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | D89 | D89-T91 PolarHBondContact O-N 2.82Å; D89-T91 VanDerWaalsContact O-N 3.14Å; D89-T91 PolarHBondContact OD1-N 2.98Å; D89-T91 PolarHBondContact OD1-OG1 3.46Å |
| 92 | S | 70.9 | Confident | 75.5 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -15.7 | -177.4 | 61 | 0 | 0 | 0 | 0 | 112.7 | Q57 D89 V94 | Q57-S92 WeakPolarHBondContact CG-O 3.07Å; Q57-S92 PolarHBondContact NE2-O 2.91Å; D89-S92 WeakPolarHBondContact CB-OG 3.49Å; D89-S92 WeakPolarHBondContact OD1-CB 3.5Å; D89-S92 PolarHBondContact OD1-N 2.96Å; D89-S92 PolarHBondContact OD1-OG 3.46Å; S92-V94 PolarHBondContact O-N 3.07Å; S92-V94 WeakPolarHBondContact OG-CB 3.36Å; S92-V94 WeakPolarHBondContact OG-CG2 3.48Å; S92-V94 PolarHBondContact OG-N 3.1Å |
| 93 | G | 69.6 | Low | 75.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | 70.1 | 10.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L58 D89 V95 | L58-G93 PolarHBondContact N-O 2.86Å; L58-G93 WeakPolarHBondContact O-CA 3.49Å; D89-G93 WeakPolarHBondContact O-CA 3.4Å; D89-G93 PolarHBondContact O-N 2.9Å; G93-V95 PolarHBondContact O-N 2.73Å | ||
| 94 | V | 68.2 | Low | 74.9 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120.6 | 178.7 | 170.7 | 0 | 0 | 0 | 0 | 109.3 | H54 L56 Q57 I88 D89 S92 R96 | H54-V94 HydrophobicContact CB-CG1 3.83Å; H54-V94 WeakPolarHBondContact CD2-CG1 3.22Å; L56-V94 CarbonylContact O-C 3.55Å; L56-V94 VanDerWaalsContact O-CA 3.3Å; L56-V94 WeakPolarHBondContact O-CA 3.35Å; Q57-V94 HydrophobicContact CB-CG2 4.18Å; Q57-V94 HydrophobicContact CG-CG2 3.83Å; I88-V94 CarbonylContact C-O 3.53Å; I88-V94 WeakPolarHBondContact CA-O 3.37Å; D89-V94 HydrophobicContact CB-CB 4.13Å; D89-V94 PolarHBondContact N-O 2.98Å; S92-V94 PolarHBondContact O-N 3.07Å; S92-V94 WeakPolarHBondContact OG-CB 3.36Å; S92-V94 WeakPolarHBondContact OG-CG2 3.48Å; S92-V94 PolarHBondContact OG-N 3.1Å; V94-R96 HydrophobicContact CG1-CG 3.93Å |
| 95 | V | 70.7 | Confident | 74 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 134.7 | 172.6 | -151.1 | 0 | 0 | 0 | 0 | 109 | F55 L56 L58 I73 F86 E87 I88 G93 F111 | F55-V95 HydrophobicContact CD1-CB 4.26Å; F55-V95 WeakPolarHBondContact CD1-O 3.47Å; F55-V95 HydrophobicContact CD2-CB 4.29Å; F55-V95 HydrophobicContact CE1-CB 3.5Å; F55-V95 HydrophobicContact CE1-CG1 3.39Å; F55-V95 VanDerWaalsContact CE1-O 3.24Å; F55-V95 WeakPolarHBondContact CE1-O 3.44Å; F55-V95 HydrophobicContact CE2-CB 3.56Å; F55-V95 HydrophobicContact CE2-CG1 3.85Å; F55-V95 HydrophobicContact CE2-CG2 4.46Å; F55-V95 WeakPolarHBondContact CG-O 3.49Å; F55-V95 HydrophobicContact CZ-CB 3.14Å; F55-V95 HydrophobicContact CZ-CG1 2.98Å; F55-V95 HydrophobicContact CZ-CG2 4.31Å; F55-V95 PolarHBondContact N-O 3.17Å; F55-V95 VanDerWaalsContact N-O 3.11Å; L56-V95 HydrophobicContact CB-CB 4.14Å; L56-V95 HydrophobicContact CB-CG2 4.18Å; L56-V95 HydrophobicContact CD2-CB 4.37Å; L56-V95 HydrophobicContact CD2-CG2 3.86Å; L56-V95 HydrophobicContact CG-CB 4.28Å; L56-V95 HydrophobicContact CG-CG2 3.78Å; L56-V95 PolarHBondContact O-N 3.22Å; L58-V95 HydrophobicContact CD1-CG2 3.98Å; L58-V95 HydrophobicContact CG-CG2 4.27Å; I73-V95 HydrophobicContact CD1-CG1 4.28Å; F86-V95 HydrophobicContact CB-CG1 4.08Å; E87-V95 CarbonylContact O-C 3.47Å; E87-V95 WeakPolarHBondContact O-CA 3.1Å; E87-V95 WeakPolarHBondContact O-CG1 3.37Å; I88-V95 HydrophobicContact CB-CG1 4.36Å; I88-V95 HydrophobicContact CB-CG2 4.4Å; I88-V95 HydrophobicContact CD1-CG2 3.85Å; I88-V95 HydrophobicContact CG1-CG2 3.98Å; G93-V95 PolarHBondContact O-N 2.73Å; V95-F111 HydrophobicContact CG1-CE2 4.13Å; V95-F111 HydrophobicContact CG1-CZ 4Å |
| 96 | R | 67.9 | Low | 72.9 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.2 | -179.5 | -53.3 | -165 | 167.2 | 100.6 | 0.2 | 112.3 | S53 H54 F55 F86 E87 D89 V94 R98 | S53-R96 WeakPolarHBondContact O-CD 3.2Å; S53-R96 WeakPolarHBondContact O-CG 3.3Å; S53-R96 PolarHBondContact O-NE 3.27Å; H54-R96 PolarHBondContact CE1-NH2 3.03Å; H54-R96 PolarHBondContact NE2-NH2 3Å; F55-R96 VanDerWaalsContact CD1-N 3.32Å; F55-R96 WeakPolarHBondContact CE1-O 3.23Å; F86-R96 WeakPolarHBondContact CA-O 3.2Å; E87-R96 HydrophobicContact CG-CB 3.71Å; E87-R96 PolarHBondContact N-O 2.98Å; E87-R96 PolarHBondContact O-N 2.9Å; D89-R96 IonicContact OD2-NH1 3.35Å; V94-R96 HydrophobicContact CG1-CG 3.93Å; R96-R98 PolarHBondContact O-N 3.28Å |
| 97 | L | 68.5 | Low | 72.2 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.9 | 180 | -171.8 | 77.1 | 0 | 0 | 0 | 109.3 | F45 H85 F86 R99 L101 | F45-L97 HydrophobicContact CD1-CD2 3.55Å; F45-L97 HydrophobicContact CD2-CD2 4.46Å; F45-L97 HydrophobicContact CE1-CB 3.89Å; F45-L97 HydrophobicContact CE1-CD2 3.5Å; F45-L97 VanDerWaalsContact CE1-CD2 3.5Å; F45-L97 HydrophobicContact CE1-CG 4.28Å; F45-L97 HydrophobicContact CE2-CB 3.83Å; F45-L97 HydrophobicContact CE2-CD2 4.39Å; F45-L97 HydrophobicContact CE2-CG 4.49Å; F45-L97 HydrophobicContact CG-CD2 4.06Å; F45-L97 HydrophobicContact CZ-CB 3.45Å; F45-L97 VanDerWaalsContact CZ-CB 3.45Å; F45-L97 HydrophobicContact CZ-CD2 3.95Å; F45-L97 HydrophobicContact CZ-CG 4.24Å; H85-L97 HydrophobicContact CB-CD1 4.5Å; H85-L97 CarbonylContact O-C 3.58Å; H85-L97 WeakPolarHBondContact O-CD1 3.4Å; F86-L97 HydrophobicContact CD1-CD1 3.83Å; F86-L97 HydrophobicContact CE1-CD1 3.49Å; F86-L97 VanDerWaalsContact CE1-CD1 3.49Å; F86-L97 HydrophobicContact CZ-CD1 4.32Å; L97-R99 WeakPolarHBondContact CD1-O 3.16Å; L97-R99 WeakPolarHBondContact CD2-O 3Å; L97-R99 WeakPolarHBondContact CG-O 3.18Å; L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CD2 3.76Å; L97-L101 HydrophobicContact CD1-CG 3.68Å; L97-L101 HydrophobicContact CD2-CG 4.34Å |
| 98 | R | 78.2 | Confident | 71.3 | Confident | 157 Ų | 157 | 57 Ų | 57 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | trans | -83.6 | -31.1 | 178.1 | -169.4 | 178.8 | 176.5 | -165.2 | 3.5 | 112.8 | H85 R96 | H85-R98 PolarHBondContact O-N 3.33Å; R96-R98 PolarHBondContact O-N 3.28Å | ||
| 99 | R | 76.1 | Confident | 70.5 | Confident | 140 Ų | 140 | 56.2 Ų | 56.2 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -139.9 | 147 | -178.5 | -63.9 | 180 | -177.1 | -103.2 | -2.8 | 111.2 | K84 H85 L97 | K84-R99 WeakPolarHBondContact O-CD 3.1Å; H85-R99 HydrophobicContact CB-CB 4.44Å; H85-R99 WeakPolarHBondContact ND1-CB 3.11Å; H85-R99 PolarHBondContact ND1-O 3.2Å; H85-R99 PolarHBondContact O-N 2.99Å; L97-R99 WeakPolarHBondContact CD1-O 3.16Å; L97-R99 WeakPolarHBondContact CD2-O 3Å; L97-R99 WeakPolarHBondContact CG-O 3.18Å |
| 100 | N | 67.2 | Low | 70 | Confident | 88 Ų | 88 | 58.2 Ų | 58.2 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | trans | -57.2 | 151.1 | 177.8 | 66.2 | -16.8 | 0 | 0 | 0 | 112.6 | H85 S102 | H85-N100 PolarHBondContact CE1-O 3.41Å; H85-N100 PolarHBondContact ND1-O 3.48Å; N100-S102 PolarHBondContact ND2-OG 3.07Å; N100-S102 VanDerWaalsContact ND2-OG 3.15Å | ||
| 101 | L | 69.9 | Low | 69.4 | Low | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -102.7 | 19.5 | 179.5 | -56.5 | -176.7 | 0 | 0 | 0 | 112.6 | F45 H85 F86 L97 N103 F104 L109 V133 | F45-L101 HydrophobicContact CB-CD1 3.91Å; F45-L101 HydrophobicContact CG-CD1 4.5Å; H85-L101 HydrophobicContact CB-CD2 3.68Å; F86-L101 HydrophobicContact CE1-CD1 4.21Å; F86-L101 HydrophobicContact CZ-CD1 4.01Å; F86-L101 HydrophobicContact CZ-CD2 4.1Å; L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CD2 3.76Å; L97-L101 HydrophobicContact CD1-CG 3.68Å; L97-L101 HydrophobicContact CD2-CG 4.34Å; L101-N103 PolarHBondContact O-N 3.21Å; L101-F104 HydrophobicContact CB-CD2 4.45Å; L101-F104 HydrophobicContact CD2-CD2 4.28Å; L101-F104 WeakPolarHBondContact O-CB 3.3Å; L101-F104 PolarHBondContact O-N 3.29Å; L101-L109 HydrophobicContact CD1-CD1 4.25Å; L101-L109 HydrophobicContact CD2-CD1 3.61Å; L101-L109 HydrophobicContact CG-CD1 4.46Å; L101-V133 HydrophobicContact CB-CG1 3.8Å; L101-V133 HydrophobicContact CB-CG2 4.07Å; L101-V133 HydrophobicContact CD1-CG2 3.7Å; L101-V133 HydrophobicContact CG-CG2 4.43Å | ||
| 102 | S | 64.8 | Low | 69.4 | Low | 59 Ų | 59 | 51.5 Ų | 51.5 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -57.2 | -30.6 | -170.6 | 53.6 | 0 | 0 | 0 | 0 | 114 | N100 F104 | N100-S102 PolarHBondContact ND2-OG 3.07Å; N100-S102 VanDerWaalsContact ND2-OG 3.15Å; S102-F104 VanDerWaalsContact C-N 3.29Å |
| 103 | N | 69 | Low | 69.9 | Low | 144 Ų | 144 | 49.8 Ų | 49.8 | 77% | 0.77 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -84.6 | -3.2 | -179.8 | -61.4 | -13.2 | 0 | 0 | 0 | 113.4 | L101 | L101-N103 PolarHBondContact O-N 3.21Š|
| 104 | F | 69.1 | Low | 70.7 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -110.1 | 5.5 | -175.5 | -61.4 | -74.9 | 0 | 0 | 0 | 112.6 | E81 H85 L101 S102 G106 T107 L109 V133 | E81-F104 HydrophobicContact CB-CZ 4.33Å; H85-F104 AromaticContact CE1-CE2 3.59Å; H85-F104 AromaticContact NE2-CE2 3.64Å; L101-F104 HydrophobicContact CB-CD2 4.45Å; L101-F104 HydrophobicContact CD2-CD2 4.28Å; L101-F104 WeakPolarHBondContact O-CB 3.3Å; L101-F104 PolarHBondContact O-N 3.29Å; S102-F104 VanDerWaalsContact C-N 3.29Å; F104-G106 PolarHBondContact O-N 2.69Å; F104-T107 WeakPolarHBondContact CA-OG1 2.99Å; F104-T107 WeakPolarHBondContact CB-OG1 2.76Å; F104-T107 WeakPolarHBondContact O-CA 3.34Å; F104-T107 WeakPolarHBondContact O-CB 3.45Å; F104-T107 PolarHBondContact O-N 3.03Å; F104-T107 PolarHBondContact O-OG1 2.65Å; F104-L109 HydrophobicContact CB-CD1 4.21Å; F104-L109 HydrophobicContact CB-CD2 4.48Å; F104-L109 HydrophobicContact CB-CG 4.36Å; F104-L109 HydrophobicContact CD1-CD1 4.42Å; F104-L109 HydrophobicContact CD1-CD2 3.49Å; F104-L109 VanDerWaalsContact CD1-CD2 3.49Å; F104-L109 HydrophobicContact CD1-CG 4.25Å; F104-L109 HydrophobicContact CD2-CD1 4.13Å; F104-L109 HydrophobicContact CE1-CD2 3.71Å; F104-L109 HydrophobicContact CG-CD1 3.99Å; F104-L109 HydrophobicContact CG-CD2 3.92Å; F104-L109 HydrophobicContact CG-CG 4.23Å; F104-L109 HydrophobicContact CZ-CD2 4.33Å; F104-V133 HydrophobicContact CB-CB 4.16Å; F104-V133 HydrophobicContact CB-CG1 4.23Å; F104-V133 HydrophobicContact CB-CG2 3.87Å; F104-V133 VanDerWaalsContact O-CB 3.31Å; F104-V133 WeakPolarHBondContact O-CB 2.96Å |
| 105 | A | 63.5 | Low | 71.3 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | 124.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V133 P135 | A105-V133 CarbonylContact C-O 3.53Å; A105-P135 HydrophobicContact CB-CB 4Å |
| 106 | G | 56.3 | Low | 71.9 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -0.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F104 Y132 V133 | F104-G106 PolarHBondContact O-N 2.69Å; G106-Y132 WeakPolarHBondContact CA-OH 3.04Å; G106-Y132 WeakPolarHBondContact O-CE2 3.26Å; G106-Y132 PolarHBondContact O-OH 2.99Å; G106-V133 WeakPolarHBondContact CA-O 3.14Å; G106-V133 PolarHBondContact N-O 2.74Å |
| 107 | T | 65.2 | Low | 72.6 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | trans | -115.1 | 154.5 | -172.8 | 74.2 | 0 | 0 | 0 | 0 | 112.7 | F104 V133 | F104-T107 WeakPolarHBondContact CA-OG1 2.99Å; F104-T107 WeakPolarHBondContact CB-OG1 2.76Å; F104-T107 WeakPolarHBondContact O-CA 3.34Å; F104-T107 WeakPolarHBondContact O-CB 3.45Å; F104-T107 PolarHBondContact O-N 3.03Å; F104-T107 PolarHBondContact O-OG1 2.65Å; T107-V133 PolarHBondContact O-N 2.91Å | ||
| 108 | A | 64.8 | Low | 73.2 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 51% | 0.512 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I131 Y132 | A108-I131 CarbonylContact C-O 3.53Å; A108-I131 VanDerWaalsContact CA-O 3.29Å; A108-I131 WeakPolarHBondContact CA-O 2.9Å; A108-Y132 HydrophobicContact CB-CD2 4.33Å |
| 109 | L | 67.9 | Low | 73.1 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 140.8 | 166.2 | -66.7 | 178.2 | 0 | 0 | 0 | 109 | A82 F86 L101 F104 S130 I131 V133 | A82-L109 HydrophobicContact CB-CB 4.02Å; A82-L109 HydrophobicContact CB-CD2 4.1Å; F86-L109 HydrophobicContact CE2-CB 4.32Å; F86-L109 HydrophobicContact CE2-CD1 4.02Å; F86-L109 HydrophobicContact CZ-CD1 3.96Å; L101-L109 HydrophobicContact CD1-CD1 4.25Å; L101-L109 HydrophobicContact CD2-CD1 3.61Å; L101-L109 HydrophobicContact CG-CD1 4.46Å; F104-L109 HydrophobicContact CB-CD1 4.21Å; F104-L109 HydrophobicContact CB-CD2 4.48Å; F104-L109 HydrophobicContact CB-CG 4.36Å; F104-L109 HydrophobicContact CD1-CD1 4.42Å; F104-L109 HydrophobicContact CD1-CD2 3.49Å; F104-L109 VanDerWaalsContact CD1-CD2 3.49Å; F104-L109 HydrophobicContact CD1-CG 4.25Å; F104-L109 HydrophobicContact CD2-CD1 4.13Å; F104-L109 HydrophobicContact CE1-CD2 3.71Å; F104-L109 HydrophobicContact CG-CD1 3.99Å; F104-L109 HydrophobicContact CG-CD2 3.92Å; F104-L109 HydrophobicContact CG-CG 4.23Å; F104-L109 HydrophobicContact CZ-CD2 4.33Å; L109-S130 CarbonylContact O-C 3.6Å; L109-S130 WeakPolarHBondContact O-CA 3.29Å; L109-I131 HydrophobicContact CB-CB 4.48Å; L109-I131 PolarHBondContact N-O 3.17Å; L109-I131 PolarHBondContact O-N 3.4Å; L109-V133 HydrophobicContact CD1-CG2 4Å; L109-V133 HydrophobicContact CG-CG2 4.23Å |
| 110 | K | 72.9 | Confident | 73.4 | Confident | 91 Ų | 91 | 46.7 Ų | 46.7 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 144.4 | 172.5 | -58 | -165.8 | 176.5 | -155.7 | 0 | 108.8 | F79 A82 T128 V129 S130 | F79-K110 WeakPolarHBondContact CB-O 3.26Å; F79-K110 HydrophobicContact CD1-CB 3.79Å; F79-K110 WeakPolarHBondContact CD1-O 3.27Å; F79-K110 HydrophobicContact CD2-CB 4.45Å; F79-K110 HydrophobicContact CE1-CB 3.54Å; F79-K110 HydrophobicContact CE1-CD 4.24Å; F79-K110 HydrophobicContact CE1-CG 4.33Å; F79-K110 HydrophobicContact CE2-CB 4.22Å; F79-K110 HydrophobicContact CG-CB 4.27Å; F79-K110 WeakPolarHBondContact CG-O 3.44Å; F79-K110 HydrophobicContact CZ-CB 3.76Å; F79-K110 HydrophobicContact CZ-CD 4.29Å; A82-K110 WeakPolarHBondContact CB-O 3.04Å; K110-T128 HydrophobicContact CB-CG2 4.05Å; K110-T128 HydrophobicContact CD-CG2 4.18Å; K110-V129 CarbonylContact C-O 3.57Å; K110-V129 WeakPolarHBondContact CA-O 3.26Å; K110-S130 WeakPolarHBondContact CD-OG 3.15Å; K110-S130 VanDerWaalsContact CE-OG 3.25Å; K110-S130 WeakPolarHBondContact CE-OG 3.42Å; K110-S130 WeakPolarHBondContact CG-OG 3.5Å; K110-S130 PolarHBondContact NZ-OG 3.11Å |
| 111 | F | 76.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.9 | 171.9 | 61.9 | -81.6 | 0 | 0 | 0 | 109.6 | F55 I73 A82 D83 F86 V95 V113 T128 V129 I131 | F55-F111 HydrophobicContact CZ-CZ 4.35Å; I73-F111 HydrophobicContact CD1-CD2 4.22Å; I73-F111 HydrophobicContact CD1-CE2 4.21Å; I73-F111 HydrophobicContact CG1-CD2 4.05Å; I73-F111 HydrophobicContact CG1-CE2 4.18Å; I73-F111 HydrophobicContact CG2-CB 4.47Å; I73-F111 HydrophobicContact CG2-CD2 4.1Å; A82-F111 HydrophobicContact CB-CB 4.39Å; D83-F111 VanDerWaalsContact OD1-CB 3.25Å; D83-F111 WeakPolarHBondContact OD1-CB 3.15Å; F86-F111 AromaticContact CD2-CD1 3.65Å; F86-F111 HydrophobicContact CD2-CD1 3.65Å; F86-F111 AromaticContact CD2-CE1 3.8Å; F86-F111 HydrophobicContact CD2-CE1 3.8Å; F86-F111 HydrophobicContact CD2-CG 4.28Å; F86-F111 AromaticContact CE2-CD1 3.98Å; F86-F111 HydrophobicContact CE2-CD1 3.98Å; F86-F111 HydrophobicContact CE2-CE1 4.14Å; F86-F111 HydrophobicContact CG-CD1 4.34Å; F86-F111 HydrophobicContact CG-CE1 4.1Å; F86-F111 HydrophobicContact CG-CZ 4.44Å; V95-F111 HydrophobicContact CG1-CE2 4.13Å; V95-F111 HydrophobicContact CG1-CZ 4Å; F111-V113 HydrophobicContact CD2-CG2 3.74Å; F111-V113 HydrophobicContact CE2-CG2 3.42Å; F111-V113 VanDerWaalsContact CE2-CG2 3.42Å; F111-T128 CarbonylContact O-C 3.59Å; F111-T128 WeakPolarHBondContact O-CA 3.31Å; F111-V129 HydrophobicContact CD1-CB 4.09Å; F111-V129 HydrophobicContact CD1-CG1 4.39Å; F111-V129 HydrophobicContact CD2-CB 4.31Å; F111-V129 HydrophobicContact CE1-CB 3.63Å; F111-V129 HydrophobicContact CE1-CG1 3.53Å; F111-V129 HydrophobicContact CE2-CB 3.91Å; F111-V129 HydrophobicContact CE2-CG1 4.36Å; F111-V129 HydrophobicContact CE2-CG2 3.96Å; F111-V129 HydrophobicContact CG-CB 4.41Å; F111-V129 HydrophobicContact CZ-CB 3.54Å; F111-V129 HydrophobicContact CZ-CG1 3.53Å; F111-V129 HydrophobicContact CZ-CG2 3.94Å; F111-V129 PolarHBondContact N-O 3.14Å; F111-V129 PolarHBondContact O-N 2.9Å; F111-I131 HydrophobicContact CD1-CD1 4.5Å; F111-I131 HydrophobicContact CE1-CD1 3.56Å; F111-I131 HydrophobicContact CE1-CG1 4.1Å; F111-I131 HydrophobicContact CZ-CD1 4.31Å |
| 112 | S | 79.6 | Confident | 74.9 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.4 | 178.6 | -71.4 | 0 | 0 | 0 | 0 | 110.5 | I73 K74 E126 A127 | I73-S112 CarbonylContact C-O 3.57Å; I73-S112 WeakPolarHBondContact CA-O 3.34Å; K74-S112 PolarHBondContact N-O 2.79Å; S112-E126 WeakPolarHBondContact CB-OE1 3.25Å; S112-E126 PolarHBondContact OG-OE1 3.26Å; S112-A127 CarbonylContact C-O 3.56Å; S112-A127 VanDerWaalsContact CA-O 3.24Å; S112-A127 WeakPolarHBondContact CA-O 3.5Å |
| 113 | V | 82.2 | Confident | 75.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.5 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | F38 L58 S72 I73 I88 F111 E126 A127 V129 | F38-V113 HydrophobicContact CD1-CG1 4.42Å; F38-V113 HydrophobicContact CE1-CB 4.13Å; F38-V113 HydrophobicContact CE1-CG1 3.66Å; F38-V113 HydrophobicContact CZ-CB 4.48Å; F38-V113 HydrophobicContact CZ-CG1 4.15Å; F38-V113 WeakPolarHBondContact CZ-O 3.33Å; L58-V113 HydrophobicContact CD1-CB 3.79Å; L58-V113 HydrophobicContact CD1-CG1 3.64Å; L58-V113 HydrophobicContact CD1-CG2 3.56Å; S72-V113 CarbonylContact O-C 3.39Å; S72-V113 WeakPolarHBondContact O-CA 3.05Å; I73-V113 HydrophobicContact CG1-CG2 4.32Å; I88-V113 HydrophobicContact CD1-CG1 3.63Å; I88-V113 HydrophobicContact CD1-CG2 4.31Å; F111-V113 HydrophobicContact CD2-CG2 3.74Å; F111-V113 HydrophobicContact CE2-CG2 3.42Å; F111-V113 VanDerWaalsContact CE2-CG2 3.42Å; V113-E126 CarbonylContact O-C 3.58Å; V113-E126 VanDerWaalsContact O-CA 3.31Å; V113-E126 WeakPolarHBondContact O-CA 2.95Å; V113-A127 PolarHBondContact N-O 2.72Å; V113-A127 PolarHBondContact O-N 3.18Å; V113-V129 HydrophobicContact CG2-CG2 3.93Å |
| 114 | V | 85.1 | Confident | 76.4 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.3 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | Y71 S72 K74 D125 E126 | Y71-V114 CarbonylContact C-O 3.52Å; Y71-V114 WeakPolarHBondContact CA-O 3.2Å; S72-V114 PolarHBondContact N-O 2.84Å; S72-V114 PolarHBondContact O-N 3.11Å; K74-V114 HydrophobicContact CB-CG2 3.68Å; K74-V114 HydrophobicContact CD-CG2 3.91Å; K74-V114 HydrophobicContact CG-CG2 4.35Å; V114-D125 VanDerWaalsContact CA-O 3.29Å; V114-D125 WeakPolarHBondContact CA-O 3.36Å; V114-E126 HydrophobicContact CG2-CB 4.06Å; V114-E126 HydrophobicContact CG2-CG 4.02Å |
| 115 | A | 81.6 | Confident | 76.7 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | V36 F38 A60 V69 E70 Y71 S124 D125 | V36-A115 HydrophobicContact CB-CB 4.48Å; V36-A115 HydrophobicContact CG1-CB 3.94Å; V36-A115 HydrophobicContact CG2-CB 3.79Å; F38-A115 HydrophobicContact CE1-CB 4.18Å; F38-A115 HydrophobicContact CZ-CB 3.7Å; A60-A115 HydrophobicContact CB-CB 3.45Å; A60-A115 VanDerWaalsContact CB-CB 3.45Å; V69-A115 HydrophobicContact CG1-CB 3.73Å; E70-A115 WeakPolarHBondContact O-CA 3.36Å; Y71-A115 HydrophobicContact CD1-CB 4.13Å; Y71-A115 HydrophobicContact CE1-CB 4.23Å; A115-S124 WeakPolarHBondContact O-CA 3.1Å; A115-S124 WeakPolarHBondContact O-CB 3.34Å; A115-D125 PolarHBondContact N-O 2.92Å; A115-D125 PolarHBondContact O-N 3.5Å; A115-D125 VanDerWaalsContact O-N 3.08Å |
| 116 | T | 84.3 | Confident | 77.4 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 23% | 0.233 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.5 | -173.7 | -50.1 | 0 | 0 | 0 | 0 | 109 | V69 E70 P122 L123 | V69-T116 WeakPolarHBondContact CA-O 2.77Å; E70-T116 PolarHBondContact N-O 3.48Å; E70-T116 PolarHBondContact O-N 2.94Å; T116-P122 HydrophobicContact CG2-CB 3.87Å; T116-L123 CarbonylContact C-O 3.55Å; T116-L123 VanDerWaalsContact CA-O 3.3Å; T116-L123 WeakPolarHBondContact CA-O 3.34Å; T116-L123 WeakPolarHBondContact CG2-O 3.04Å |
| 117 | D | 81.5 | Confident | 78 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | trans | -74.1 | 172.1 | 173.5 | 67.7 | 33.7 | 0 | 0 | 0 | 111.8 | D62 G119 P122 L123 | D62-D117 VanDerWaalsContact OD2-CB 3.26Å; D62-D117 WeakPolarHBondContact OD2-CB 3.46Å; D117-G119 VanDerWaalsContact C-N 3.32Å; D117-G119 WeakPolarHBondContact OD1-CA 3.41Å; D117-G119 PolarHBondContact OD1-N 3.25Å; D117-P122 WeakPolarHBondContact OD1-CA 3.16Å; D117-L123 VanDerWaalsContact CG-N 3.31Å; D117-L123 PolarHBondContact N-O 2.82Å; D117-L123 PolarHBondContact OD1-N 3.2Å; D117-L123 WeakPolarHBondContact OD2-CB 2.92Å; D117-L123 PolarHBondContact OD2-N 2.88Å | ||
| 118 | S | 82.1 | Confident | 78.2 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -95.4 | 20.8 | 174.6 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | K68 | K68-S118 PolarHBondContact O-N 2.91Å; K68-S118 PolarHBondContact O-OG 2.81Å |
| 119 | G | 76.2 | Confident | 78.3 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 38% | 0.381 | 29% | 0.288 | S | S | . | . | trans | -69.6 | 171.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | D117 P121 P122 | D117-G119 VanDerWaalsContact C-N 3.32Å; D117-G119 WeakPolarHBondContact OD1-CA 3.41Å; D117-G119 PolarHBondContact OD1-N 3.25Å; G119-P121 VanDerWaalsContact C-C 3.46Å; G119-P121 CarbonylContact C-O 3.5Å; G119-P121 CarbonylContact O-C 3.37Å; G119-P122 WeakPolarHBondContact O-CA 2.88Å | ||
| 120 | N | 80.6 | Confident | 78.1 | Confident | 165 Ų | 165 | 48 Ų | 48 | 88% | 0.882 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -132.3 | 100.2 | 172.6 | -173.7 | 21.5 | 0 | 0 | 0 | 110.8 | ||
| 121 | P | 84 | Confident | 77.6 | Confident | 98 Ų | 98 | 43.8 Ų | 43.8 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | S | Bend | cis | -71.6 | 154.7 | 3 | 32.1 | -36.1 | 0 | 0 | 0 | 112.4 | G119 | G119-P121 VanDerWaalsContact C-C 3.46Å; G119-P121 CarbonylContact C-O 3.5Å; G119-P121 CarbonylContact O-C 3.37Å |
| 122 | P | 84.5 | Confident | 76.6 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 137.3 | 175.7 | 28.8 | -34 | 0 | 0 | 0 | 110.6 | T116 D117 G119 | T116-P122 HydrophobicContact CG2-CB 3.87Å; D117-P122 WeakPolarHBondContact OD1-CA 3.16Å; G119-P122 WeakPolarHBondContact O-CA 2.88Å |
| 123 | L | 81.9 | Confident | 75.8 | Confident | 102 Ų | 102 | 45.5 Ų | 45.5 | 53% | 0.534 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 153.9 | 171.8 | -47 | 176.2 | 0 | 0 | 0 | 110.2 | T116 D117 | T116-L123 CarbonylContact C-O 3.55Å; T116-L123 VanDerWaalsContact CA-O 3.3Å; T116-L123 WeakPolarHBondContact CA-O 3.34Å; T116-L123 WeakPolarHBondContact CG2-O 3.04Å; D117-L123 VanDerWaalsContact CG-N 3.31Å; D117-L123 PolarHBondContact N-O 2.82Å; D117-L123 PolarHBondContact OD1-N 3.2Å; D117-L123 WeakPolarHBondContact OD2-CB 2.92Å; D117-L123 PolarHBondContact OD2-N 2.88Å |
| 124 | S | 83.6 | Confident | 74.3 | Confident | 81 Ų | 81 | 45.5 Ų | 45.5 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 155.5 | -178.2 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | A115 | A115-S124 WeakPolarHBondContact O-CA 3.1Å; A115-S124 WeakPolarHBondContact O-CB 3.34Å |
| 125 | D | 76.9 | Confident | 72.6 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 159.5 | 167.6 | -173.5 | 29.8 | 0 | 0 | 0 | 110.7 | C35 V36 V114 A115 | C35-D125 WeakPolarHBondContact CA-OD2 3.21Å; V36-D125 HydrophobicContact CB-CB 3.92Å; V36-D125 HydrophobicContact CG2-CB 3.49Å; V36-D125 VanDerWaalsContact CG2-CB 3.49Å; V36-D125 PolarHBondContact N-OD2 3.27Å; V114-D125 VanDerWaalsContact CA-O 3.29Å; V114-D125 WeakPolarHBondContact CA-O 3.36Å; A115-D125 PolarHBondContact N-O 2.92Å; A115-D125 PolarHBondContact O-N 3.5Å; A115-D125 VanDerWaalsContact O-N 3.08Å |
| 126 | E | 77.7 | Confident | 71 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.2 | -167.9 | -178.5 | -176.7 | 169 | 0 | 0 | 111.6 | K74 S112 V113 V114 | K74-E126 HydrophobicContact CD-CG 4.43Å; K74-E126 VanDerWaalsContact CD-OE2 3.31Å; K74-E126 WeakPolarHBondContact CD-OE2 3.42Å; K74-E126 WeakPolarHBondContact CE-OE2 3.31Å; K74-E126 IonicContact NZ-OE2 2.73Å; K74-E126 PolarHBondContact NZ-OE2 3.24Å; S112-E126 WeakPolarHBondContact CB-OE1 3.25Å; S112-E126 PolarHBondContact OG-OE1 3.26Å; V113-E126 CarbonylContact O-C 3.58Å; V113-E126 VanDerWaalsContact O-CA 3.31Å; V113-E126 WeakPolarHBondContact O-CA 2.95Å; V114-E126 HydrophobicContact CG2-CB 4.06Å; V114-E126 HydrophobicContact CG2-CG 4.02Å |
| 127 | A | 68.6 | Low | 69 | Low | 21 Ų | 21 | 49.4 Ų | 49.4 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 158.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F38 S112 V113 | F38-A127 HydrophobicContact CB-CB 3.27Å; F38-A127 HydrophobicContact CD1-CB 4.33Å; F38-A127 HydrophobicContact CD2-CB 3.02Å; F38-A127 HydrophobicContact CE2-CB 3.73Å; F38-A127 HydrophobicContact CG-CB 3.31Å; S112-A127 CarbonylContact C-O 3.56Å; S112-A127 VanDerWaalsContact CA-O 3.24Å; S112-A127 WeakPolarHBondContact CA-O 3.5Å; V113-A127 PolarHBondContact N-O 2.72Å; V113-A127 PolarHBondContact O-N 3.18Å |
| 128 | T | 68.6 | Low | 66.8 | Low | 57 Ų | 57 | 51 Ų | 51 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.2 | 173.4 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | F79 K110 F111 | F79-T128 HydrophobicContact CE2-CG2 4.13Å; F79-T128 HydrophobicContact CZ-CG2 4.25Å; K110-T128 HydrophobicContact CB-CG2 4.05Å; K110-T128 HydrophobicContact CD-CG2 4.18Å; F111-T128 CarbonylContact O-C 3.59Å; F111-T128 WeakPolarHBondContact O-CA 3.31Å |
| 129 | V | 68.6 | Low | 64.7 | Low | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 133.7 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | L56 L58 K110 F111 V113 I131 | L56-V129 HydrophobicContact CD2-CG1 3.7Å; L56-V129 HydrophobicContact CD2-CG2 4.44Å; L58-V129 HydrophobicContact CD1-CG2 4.07Å; L58-V129 HydrophobicContact CD2-CG2 4.48Å; K110-V129 CarbonylContact C-O 3.57Å; K110-V129 WeakPolarHBondContact CA-O 3.26Å; F111-V129 HydrophobicContact CD1-CB 4.09Å; F111-V129 HydrophobicContact CD1-CG1 4.39Å; F111-V129 HydrophobicContact CD2-CB 4.31Å; F111-V129 HydrophobicContact CE1-CB 3.63Å; F111-V129 HydrophobicContact CE1-CG1 3.53Å; F111-V129 HydrophobicContact CE2-CB 3.91Å; F111-V129 HydrophobicContact CE2-CG1 4.36Å; F111-V129 HydrophobicContact CE2-CG2 3.96Å; F111-V129 HydrophobicContact CG-CB 4.41Å; F111-V129 HydrophobicContact CZ-CB 3.54Å; F111-V129 HydrophobicContact CZ-CG1 3.53Å; F111-V129 HydrophobicContact CZ-CG2 3.94Å; F111-V129 PolarHBondContact N-O 3.14Å; F111-V129 PolarHBondContact O-N 2.9Å; V113-V129 HydrophobicContact CG2-CG2 3.93Å; V129-I131 HydrophobicContact CG1-CG1 4.26Å |
| 130 | S | 62.1 | Low | 62.8 | Low | 7 Ų | 7 | 65.2 Ų | 65.2 | 5% | 0.049 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.6 | 176.7 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | F42 L109 K110 | F42-S130 WeakPolarHBondContact CD1-O 3.42Å; L109-S130 CarbonylContact O-C 3.6Å; L109-S130 WeakPolarHBondContact O-CA 3.29Å; K110-S130 WeakPolarHBondContact CD-OG 3.15Å; K110-S130 VanDerWaalsContact CE-OG 3.25Å; K110-S130 WeakPolarHBondContact CE-OG 3.42Å; K110-S130 WeakPolarHBondContact CG-OG 3.5Å; K110-S130 PolarHBondContact NZ-OG 3.11Å |
| 131 | I | 62.4 | Low | 60.4 | Low | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.8 | 179.5 | -65.8 | -179.5 | 0 | 0 | 0 | 109.5 | S43 F55 F86 A108 L109 F111 V129 | S43-I131 WeakPolarHBondContact O-CG2 3.36Å; F55-I131 HydrophobicContact CD2-CD1 4.48Å; F55-I131 HydrophobicContact CE2-CD1 3.68Å; F55-I131 HydrophobicContact CZ-CD1 4.05Å; F86-I131 HydrophobicContact CD1-CD1 4.04Å; F86-I131 HydrophobicContact CE1-CD1 3.39Å; F86-I131 HydrophobicContact CE2-CD1 4.04Å; F86-I131 HydrophobicContact CZ-CB 4.42Å; F86-I131 HydrophobicContact CZ-CD1 3.41Å; F86-I131 VanDerWaalsContact CZ-CD1 3.41Å; F86-I131 HydrophobicContact CZ-CG1 4.46Å; F86-I131 HydrophobicContact CZ-CG2 4.35Å; A108-I131 CarbonylContact C-O 3.53Å; A108-I131 VanDerWaalsContact CA-O 3.29Å; A108-I131 WeakPolarHBondContact CA-O 2.9Å; L109-I131 HydrophobicContact CB-CB 4.48Å; L109-I131 PolarHBondContact N-O 3.17Å; L109-I131 PolarHBondContact O-N 3.4Å; F111-I131 HydrophobicContact CD1-CD1 4.5Å; F111-I131 HydrophobicContact CE1-CD1 3.56Å; F111-I131 HydrophobicContact CE1-CG1 4.1Å; F111-I131 HydrophobicContact CZ-CD1 4.31Å; V129-I131 HydrophobicContact CG1-CG1 4.26Å |
| 132 | Y | 57.6 | Low | 57.9 | Low | 39 Ų | 39 | 58.5 Ų | 58.5 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.5 | 169.8 | -173 | -95.1 | 0 | 0 | 0 | 110.3 | G106 A108 W228 | G106-Y132 WeakPolarHBondContact CA-OH 3.04Å; G106-Y132 WeakPolarHBondContact O-CE2 3.26Å; G106-Y132 PolarHBondContact O-OH 2.99Å; A108-Y132 HydrophobicContact CB-CD2 4.33Å; Y132-W228 HydrophobicContact CD1-CD2 4.09Å; Y132-W228 AromaticContact CD1-CE2 3.63Å; Y132-W228 AromaticContact CD1-CZ2 3.89Å; Y132-W228 HydrophobicContact CD1-CZ2 3.89Å; Y132-W228 AromaticContact CD1-NE1 3.8Å; Y132-W228 HydrophobicContact CE1-CD2 4.22Å; Y132-W228 AromaticContact CE1-CE2 3.34Å; Y132-W228 AromaticContact CE1-CH2 3.92Å; Y132-W228 HydrophobicContact CE1-CH2 3.92Å; Y132-W228 AromaticContact CE1-CZ2 3.17Å; Y132-W228 HydrophobicContact CE1-CZ2 3.17Å; Y132-W228 AromaticContact CE1-NE1 3.6Å; Y132-W228 AromaticContact CZ-CZ2 3.99Å |
| 133 | V | 60.9 | Low | 55.8 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | trans | -101.9 | 104.5 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | L101 F104 A105 G106 T107 L109 | L101-V133 HydrophobicContact CB-CG1 3.8Å; L101-V133 HydrophobicContact CB-CG2 4.07Å; L101-V133 HydrophobicContact CD1-CG2 3.7Å; L101-V133 HydrophobicContact CG-CG2 4.43Å; F104-V133 HydrophobicContact CB-CB 4.16Å; F104-V133 HydrophobicContact CB-CG1 4.23Å; F104-V133 HydrophobicContact CB-CG2 3.87Å; F104-V133 VanDerWaalsContact O-CB 3.31Å; F104-V133 WeakPolarHBondContact O-CB 2.96Å; A105-V133 CarbonylContact C-O 3.53Å; G106-V133 WeakPolarHBondContact CA-O 3.14Å; G106-V133 PolarHBondContact N-O 2.74Å; T107-V133 PolarHBondContact O-N 2.91Å; L109-V133 HydrophobicContact CD1-CG2 4Å; L109-V133 HydrophobicContact CG-CG2 4.23Å | ||
| 134 | S | 51.8 | Low | 53.5 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -58.4 | 128.9 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 114 | D44 L46 D136 V137 W228 | D44-S134 WeakPolarHBondContact OD1-CB 3.39Å; L46-S134 WeakPolarHBondContact CD1-O 3.35Å; S134-D136 PolarHBondContact OG-N 2.79Å; S134-V137 WeakPolarHBondContact OG-CG2 2.87Å; S134-V137 PolarHBondContact OG-N 3.18Å; S134-W228 VanDerWaalsContact CB-CH2 3.44Å; S134-W228 WeakPolarHBondContact OG-CH2 3.32Å; S134-W228 WeakPolarHBondContact OG-CZ3 3.24Å | ||
| 135 | P | 49.9 | Very low | 51.1 | Low | 31 Ų | 31 | 65.3 Ų | 65.3 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -79.6 | -19.3 | 172.2 | 30.1 | -28.7 | 0 | 0 | 0 | 113.7 | A105 | A105-P135 HydrophobicContact CB-CB 4Š|
| 136 | D | 46.6 | Very low | 49.3 | Very low | 77 Ų | 77 | 68.6 Ų | 68.6 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -98.1 | -21.7 | -165.8 | -68 | -42.9 | 0 | 0 | 0 | 113.6 | S134 A138 R139 R140 | S134-D136 PolarHBondContact OG-N 2.79Å; D136-A138 PolarHBondContact O-N 3.13Å; D136-R139 PolarHBondContact O-N 2.7Å; D136-R140 PolarHBondContact O-N 2.97Å |
| 137 | V | 43.3 | Very low | 47.9 | Very low | 29 Ų | 29 | 68.3 Ų | 68.3 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.8 | 177.8 | 175.3 | 0 | 0 | 0 | 0 | 112 | L46 L47 S134 | L46-V137 HydrophobicContact CB-CB 4.15Å; L46-V137 HydrophobicContact CB-CG1 3.95Å; L47-V137 HydrophobicContact CD1-CG1 4.28Å; S134-V137 WeakPolarHBondContact OG-CG2 2.87Å; S134-V137 PolarHBondContact OG-N 3.18Å |
| 138 | A | 35.8 | Very low | 47.3 | Very low | 62 Ų | 62 | 71.2 Ų | 71.2 | 51% | 0.512 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -20.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L46 D136 | L46-A138 HydrophobicContact CD1-CB 4.14Å; L46-A138 HydrophobicContact CD2-CB 3.9Å; L46-A138 HydrophobicContact CG-CB 4.46Å; D136-A138 PolarHBondContact O-N 3.13Å |
| 139 | R | 36.8 | Very low | 47.3 | Very low | 216 Ų | 216 | 70.8 Ų | 70.8 | 82% | 0.815 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -12.6 | -168.6 | -62.7 | -171.3 | -148.2 | -141.1 | 3.7 | 114.5 | D136 | D136-R139 PolarHBondContact O-N 2.7Š|
| 140 | R | 35.8 | Very low | 47.8 | Very low | 175 Ų | 175 | 73.1 Ų | 73.1 | 66% | 0.66 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -123.3 | 129.9 | 173.2 | -65.1 | -178.8 | 173.8 | -166.8 | -1.2 | 106.3 | D136 S142 | D136-R140 PolarHBondContact O-N 2.97Å; R140-S142 VanDerWaalsContact C-OG 3.24Å; R140-S142 WeakPolarHBondContact CB-OG 3.43Å; R140-S142 WeakPolarHBondContact O-CB 3.39Å; R140-S142 PolarHBondContact O-N 3.35Å; R140-S142 PolarHBondContact O-OG 3.32Å |
| 141 | G | 31.9 | Very low | 49.1 | Very low | 81 Ų | 81 | 81 Ų | 81 | 84% | 0.835 | 43% | 0.43 | S | S | * | . | trans | -65.6 | 63.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 142 | S | 31.6 | Very low | 50.6 | Low | 41 Ų | 41 | 81.6 Ų | 81.6 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | trans | -128.7 | 60 | -152.4 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | R140 | R140-S142 VanDerWaalsContact C-OG 3.24Å; R140-S142 WeakPolarHBondContact CB-OG 3.43Å; R140-S142 WeakPolarHBondContact O-CB 3.39Å; R140-S142 PolarHBondContact O-N 3.35Å; R140-S142 PolarHBondContact O-OG 3.32Å | ||
| 143 | I | 38.9 | Very low | 52.5 | Low | 120 Ų | 120 | 88 Ų | 88 | 62% | 0.615 | 46% | 0.457 | S | S | * | . | S | Bend | -132.6 | 131.9 | 108.5 | -67 | -179.8 | 0 | 0 | 0 | 101.6 | R145 | I143-R145 PolarHBondContact O-N 3.07Š| |
| 144 | G | 34.1 | Very low | 54.2 | Low | 57 Ų | 57 | 88.3 Ų | 88.3 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | trans | -44.5 | 124.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | D146 | G144-D146 PolarHBondContact O-N 2.92Å; G144-D146 VanDerWaalsContact O-N 3.08Å | ||
| 145 | R | 33.1 | Very low | 56.4 | Low | 229 Ų | 229 | 90.2 Ų | 90.2 | 86% | 0.864 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -32.3 | 118.6 | 171.2 | -150.7 | -178.5 | -160.4 | 177.9 | 2.4 | 108.1 | I143 | I143-R145 PolarHBondContact O-N 3.07Š|
| 146 | D | 38.2 | Very low | 58.7 | Low | 121 Ų | 121 | 89.2 Ų | 89.2 | 65% | 0.647 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 69.1 | 96.3 | 178.4 | -40.6 | -43.4 | 0 | 0 | 0 | 112.2 | G144 | G144-D146 PolarHBondContact O-N 2.92Å; G144-D146 VanDerWaalsContact O-N 3.08Å |
| 147 | T | 49.1 | Very low | 61.2 | Low | 68 Ų | 68 | 88.7 Ų | 88.7 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | 170.6 | 134 | 83.1 | 35 | 0 | 0 | 0 | 0 | 109.1 | S149 | T147-S149 WeakPolarHBondContact CB-O 3.14Å; T147-S149 PolarHBondContact O-N 3.02Å; T147-S149 VanDerWaalsContact O-N 3.12Å; T147-S149 PolarHBondContact OG1-O 3.39Å | |||
| 148 | L | 56.7 | Low | 63.7 | Low | 82 Ų | 82 | 88.2 Ų | 88.2 | 43% | 0.429 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -67.1 | -1.4 | 164.7 | -74.7 | 161.2 | 0 | 0 | 0 | 112.3 | L48 T52 L233 | L48-L148 HydrophobicContact CD1-CD1 4Å; L48-L148 HydrophobicContact CD1-CD2 4.47Å; L48-L148 HydrophobicContact CD2-CD1 3.96Å; T52-L148 HydrophobicContact CG2-CD1 4.05Å; T52-L148 WeakPolarHBondContact OG1-CD1 3.15Å; L148-L233 PolarHBondContact O-N 2.94Å |
| 149 | S | 67.6 | Low | 66.7 | Low | 49 Ų | 49 | 89.6 Ų | 89.6 | 34% | 0.343 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 112.2 | -170.1 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | T147 L233 | T147-S149 WeakPolarHBondContact CB-O 3.14Å; T147-S149 PolarHBondContact O-N 3.02Å; T147-S149 VanDerWaalsContact O-N 3.12Å; T147-S149 PolarHBondContact OG1-O 3.39Å; S149-L233 CarbonylContact C-O 3.56Å; S149-L233 WeakPolarHBondContact CA-O 3.48Å |
| 150 | L | 80 | Confident | 69.6 | Low | 49 Ų | 49 | 83.4 Ų | 83.4 | 26% | 0.257 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.1 | 173.1 | -66.7 | 173.3 | 0 | 0 | 0 | 110.2 | M152 V167 V232 L233 V234 S235 | L150-M152 HydrophobicContact CB-CE 4.4Å; L150-M152 HydrophobicContact CD1-CE 4.24Å; L150-V167 HydrophobicContact CD1-CB 4.24Å; L150-V167 HydrophobicContact CD1-CG1 3.89Å; L150-V167 HydrophobicContact CD1-CG2 4.01Å; L150-V232 HydrophobicContact CB-CG1 4.43Å; L150-V232 HydrophobicContact CD1-CG1 3.73Å; L150-V232 HydrophobicContact CG-CG1 3.73Å; L150-L233 PolarHBondContact N-O 2.91Å; L150-V234 HydrophobicContact CB-CG2 4.46Å; L150-V234 CarbonylContact O-C 3.54Å; L150-V234 WeakPolarHBondContact O-CA 3.15Å; L150-S235 PolarHBondContact O-N 3.38Å |
| 151 | E | 89.5 | Confident | 72.5 | Confident | 174 Ų | 174 | 77.2 Ų | 77.2 | 81% | 0.813 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.3 | 168.5 | -65.7 | -172.3 | 171.1 | 0 | 0 | 110.3 | S235 | E151-S235 CarbonylContact C-O 3.45Å; E151-S235 WeakPolarHBondContact CA-O 3.1Å |
| 152 | M | 93.4 | Very high | 75.6 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 6% | 0.064 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150.4 | 176.6 | -57.4 | -173.3 | 178.4 | 0 | 0 | 110 | L150 F164 V167 V199 V234 S235 V236 T237 | L150-M152 HydrophobicContact CB-CE 4.4Å; L150-M152 HydrophobicContact CD1-CE 4.24Å; M152-F164 HydrophobicContact CB-CD2 4.04Å; M152-F164 HydrophobicContact CB-CE2 4.25Å; M152-F164 HydrophobicContact SD-CD2 4.18Å; M152-F164 HydrophobicContact SD-CE2 4.08Å; M152-V167 HydrophobicContact CE-CG2 4.2Å; M152-V199 HydrophobicContact CE-CG2 3.89Å; M152-V199 HydrophobicContact SD-CB 4.14Å; M152-V199 HydrophobicContact SD-CG1 4.33Å; M152-V199 HydrophobicContact SD-CG2 4.03Å; M152-V234 HydrophobicContact CE-CG1 3.79Å; M152-V234 HydrophobicContact CE-CG2 4.41Å; M152-V234 HydrophobicContact CG-CG1 3.92Å; M152-V234 HydrophobicContact SD-CG1 3.57Å; M152-V234 VanDerWaalsContact SD-CG1 3.57Å; M152-S235 PolarHBondContact N-O 2.86Å; M152-V236 HydrophobicContact CB-CG2 4.35Å; M152-V236 WeakPolarHBondContact O-CA 3.05Å; M152-T237 PolarHBondContact O-N 2.82Å |
| 153 | R | 97.1 | Very high | 78.7 | Confident | 174 Ų | 174 | 77.9 Ų | 77.9 | 66% | 0.657 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.2 | 178.6 | -57.5 | -178.7 | 74 | 169.4 | -3.1 | 109 | T237 L239 | R153-T237 VanDerWaalsContact CA-O 3.32Å; R153-T237 WeakPolarHBondContact CA-O 3.25Å; R153-L239 HydrophobicContact CB-CD1 4.36Å; R153-L239 HydrophobicContact CB-CD2 4.42Å; R153-L239 HydrophobicContact CB-CG 4.42Å |
| 154 | V | 97.7 | Very high | 81.4 | Confident | 6 Ų | 6 | 73.5 Ų | 73.5 | 4% | 0.036 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 136.6 | -176.7 | 61.8 | 0 | 0 | 0 | 0 | 109.3 | A158 F164 I201 L205 V236 T237 V238 L239 | V154-A158 HydrophobicContact CG2-CB 4.2Å; V154-F164 HydrophobicContact CB-CB 3.71Å; V154-F164 HydrophobicContact CB-CD1 4.3Å; V154-F164 HydrophobicContact CB-CD2 4.03Å; V154-F164 HydrophobicContact CB-CG 3.78Å; V154-F164 HydrophobicContact CG1-CD2 4.38Å; V154-F164 HydrophobicContact CG1-CG 4.43Å; V154-F164 HydrophobicContact CG2-CB 3.65Å; V154-F164 HydrophobicContact CG2-CD1 3.97Å; V154-F164 HydrophobicContact CG2-CG 3.83Å; V154-I201 HydrophobicContact CG2-CD1 3.65Å; V154-I201 HydrophobicContact CG2-CG1 4.12Å; V154-L205 HydrophobicContact CB-CD1 4.35Å; V154-L205 HydrophobicContact CG1-CD1 3.49Å; V154-L205 VanDerWaalsContact CG1-CD1 3.49Å; V154-L205 HydrophobicContact CG2-CD1 3.91Å; V154-V236 HydrophobicContact CG1-CG1 3.77Å; V154-T237 PolarHBondContact N-O 3.43Å; V154-T237 VanDerWaalsContact N-O 3.07Å; V154-V238 HydrophobicContact CG1-CG2 4.46Å; V154-V238 CarbonylContact O-C 3.29Å; V154-V238 VanDerWaalsContact O-CA 3.27Å; V154-V238 WeakPolarHBondContact O-CA 3.15Å; V154-L239 PolarHBondContact O-N 3.11Å |
| 155 | S | 98.1 | Very high | 84.1 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 29% | 0.287 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 143.2 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | A157 A158 V241 | S155-A157 VanDerWaalsContact C-N 3.25Å; S155-A157 PolarHBondContact O-N 2.84Å; S155-A157 PolarHBondContact OG-N 2.87Å; S155-A158 WeakPolarHBondContact O-CB 3.49Å; S155-A158 PolarHBondContact O-N 2.87Å; S155-A158 VanDerWaalsContact O-N 3.14Å; S155-V241 WeakPolarHBondContact OG-CG2 3.42Å |
| 156 | E | 98 | Very high | 86.7 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -29.8 | 174.8 | 71.3 | -165 | 121.7 | 0 | 0 | 113.5 | A158 L205 R207 V238 L239 D240 V241 | E156-A158 PolarHBondContact O-N 2.69Å; E156-A158 VanDerWaalsContact O-N 3.16Å; E156-L205 HydrophobicContact CB-CB 4.31Å; E156-R207 HydrophobicContact CB-CB 4.39Å; E156-R207 WeakPolarHBondContact OE1-CB 3.49Å; E156-R207 WeakPolarHBondContact OE2-CB 3.31Å; E156-R207 PolarHBondContact OE2-N 2.7Å; E156-V238 HydrophobicContact CB-CG1 3.79Å; E156-L239 PolarHBondContact N-O 2.88Å; E156-L239 VanDerWaalsContact N-O 3.11Å; E156-D240 WeakPolarHBondContact OE1-CA 3.42Å; E156-V241 HydrophobicContact CG-CB 3.98Å; E156-V241 HydrophobicContact CG-CG2 4.11Å; E156-V241 PolarHBondContact OE1-N 2.7Å |
| 157 | A | 97.7 | Very high | 88.6 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -1.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | S155 P159 V241 | S155-A157 VanDerWaalsContact C-N 3.25Å; S155-A157 PolarHBondContact O-N 2.84Å; S155-A157 PolarHBondContact OG-N 2.87Å; A157-P159 WeakPolarHBondContact O-CD 3.46Å; A157-V241 HydrophobicContact CB-CB 4.34Å; A157-V241 HydrophobicContact CB-CG1 4.25Å; A157-V241 HydrophobicContact CB-CG2 3.78Å |
| 158 | A | 97.7 | Very high | 89.7 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 127.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V154 S155 E156 T162 I201 | V154-A158 HydrophobicContact CG2-CB 4.2Å; S155-A158 WeakPolarHBondContact O-CB 3.49Å; S155-A158 PolarHBondContact O-N 2.87Å; S155-A158 VanDerWaalsContact O-N 3.14Å; E156-A158 PolarHBondContact O-N 2.69Å; E156-A158 VanDerWaalsContact O-N 3.16Å; A158-T162 HydrophobicContact CB-CG2 4.21Å; A158-I201 HydrophobicContact CB-CD1 3.4Å; A158-I201 VanDerWaalsContact CB-CD1 3.4Å; A158-I201 WeakPolarHBondContact O-CD1 3.43Å |
| 159 | P | 98 | Very high | 90.2 | Very high | 92 Ų | 92 | 68 Ų | 68 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 154.4 | -179.6 | -24.8 | 33.9 | 0 | 0 | 0 | 113.5 | A157 G161 T162 | A157-P159 WeakPolarHBondContact O-CD 3.46Å; P159-G161 PolarHBondContact O-N 3.09Å; P159-T162 WeakPolarHBondContact CD-OG1 3.33Å; P159-T162 WeakPolarHBondContact O-CB 3.49Å; P159-T162 PolarHBondContact O-N 2.59Å; P159-T162 PolarHBondContact O-OG1 3.46Å |
| 160 | V | 97.5 | Very high | 89.6 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 136.1 | 170.6 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | T162 I201 A202 P204 | V160-T162 VanDerWaalsContact C-N 3.34Å; V160-I201 HydrophobicContact CG2-CG2 4.49Å; V160-A202 WeakPolarHBondContact CG1-O 3.1Å; V160-P204 HydrophobicContact CG2-CG 4.03Å |
| 161 | G | 96.7 | Very high | 88.2 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -8.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P159 P163 I201 | P159-G161 PolarHBondContact O-N 3.09Å; G161-P163 WeakPolarHBondContact O-CD 3.15Å; G161-I201 WeakPolarHBondContact CA-O 2.98Å; G161-I201 PolarHBondContact N-O 2.71Å |
| 162 | T | 97.6 | Very high | 86.4 | Confident | 48 Ų | 48 | 67 Ų | 67 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | trans | -61.8 | 123.6 | 177 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | A158 P159 V160 S200 I201 | A158-T162 HydrophobicContact CB-CG2 4.21Å; P159-T162 WeakPolarHBondContact CD-OG1 3.33Å; P159-T162 WeakPolarHBondContact O-CB 3.49Å; P159-T162 PolarHBondContact O-N 2.59Å; P159-T162 PolarHBondContact O-OG1 3.46Å; V160-T162 VanDerWaalsContact C-N 3.34Å; T162-S200 VanDerWaalsContact O-CA 3.24Å; T162-S200 WeakPolarHBondContact O-CA 3.42Å; T162-S200 WeakPolarHBondContact O-CB 3.19Å; T162-I201 PolarHBondContact O-N 3.33Å; T162-I201 VanDerWaalsContact O-N 3.08Å | ||
| 163 | P | 96.5 | Very high | 84.3 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 129.4 | 172.5 | 30.9 | -32.7 | 0 | 0 | 0 | 110 | G161 T198 V199 | G161-P163 WeakPolarHBondContact O-CD 3.15Å; P163-T198 HydrophobicContact CB-CG2 3.65Å; P163-V199 WeakPolarHBondContact CA-O 2.82Å |
| 164 | F | 95.3 | Very high | 82.2 | Confident | 28 Ų | 28 | 66 Ų | 66 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 3 | -179.6 | 64.9 | -94.9 | 0 | 0 | 0 | 113.7 | M152 V154 V199 I201 V236 | M152-F164 HydrophobicContact CB-CD2 4.04Å; M152-F164 HydrophobicContact CB-CE2 4.25Å; M152-F164 HydrophobicContact SD-CD2 4.18Å; M152-F164 HydrophobicContact SD-CE2 4.08Å; V154-F164 HydrophobicContact CB-CB 3.71Å; V154-F164 HydrophobicContact CB-CD1 4.3Å; V154-F164 HydrophobicContact CB-CD2 4.03Å; V154-F164 HydrophobicContact CB-CG 3.78Å; V154-F164 HydrophobicContact CG1-CD2 4.38Å; V154-F164 HydrophobicContact CG1-CG 4.43Å; V154-F164 HydrophobicContact CG2-CB 3.65Å; V154-F164 HydrophobicContact CG2-CD1 3.97Å; V154-F164 HydrophobicContact CG2-CG 3.83Å; F164-V199 HydrophobicContact CD2-CG1 4.41Å; F164-V199 HydrophobicContact CE1-CG1 3.84Å; F164-V199 HydrophobicContact CE2-CB 4.46Å; F164-V199 HydrophobicContact CE2-CG1 3.63Å; F164-V199 HydrophobicContact CZ-CB 4.4Å; F164-V199 HydrophobicContact CZ-CG1 3.31Å; F164-V199 PolarHBondContact N-O 2.93Å; F164-I201 HydrophobicContact CD1-CG1 3.84Å; F164-I201 HydrophobicContact CE1-CG1 4.04Å; F164-V236 HydrophobicContact CD2-CG1 4.45Å; F164-V236 HydrophobicContact CE2-CG1 3.88Å; F164-V236 HydrophobicContact CE2-CG2 3.91Å |
| 165 | G | 91.5 | Very high | 80.2 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 24% | 0.237 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V199 | G165-V199 PolarHBondContact N-O 2.85Å; G165-V199 PolarHBondContact O-N 2.95Å |
| 166 | R | 86.6 | Confident | 78 | Confident | 144 Ų | 144 | 69.7 Ų | 69.7 | 54% | 0.543 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 125.5 | 177.6 | -171.7 | 172.4 | -175.2 | -174.8 | -0.2 | 110.5 | R168 N196 G197 | R166-R168 PolarHBondContact O-N 3.29Å; R166-N196 PolarHBondContact NE-O 3.28Å; R166-N196 PolarHBondContact NH2-O 2.67Å; R166-G197 CarbonylContact C-O 3.55Å; R166-G197 WeakPolarHBondContact CA-O 3.29Å |
| 167 | V | 78.2 | Confident | 75.9 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.012 | 40% | 0.396 | C | S | . | . | trans | -83.2 | 116.4 | 168.8 | -165.4 | 0 | 0 | 0 | 0 | 108 | L150 M152 F169 G197 V199 V217 F219 V232 V234 | L150-V167 HydrophobicContact CD1-CB 4.24Å; L150-V167 HydrophobicContact CD1-CG1 3.89Å; L150-V167 HydrophobicContact CD1-CG2 4.01Å; M152-V167 HydrophobicContact CE-CG2 4.2Å; V167-F169 WeakPolarHBondContact O-CD1 3.39Å; V167-G197 PolarHBondContact N-O 3.03Å; V167-G197 WeakPolarHBondContact O-CA 3.3Å; V167-V199 HydrophobicContact CG2-CG2 4.13Å; V167-V217 HydrophobicContact CG2-CB 4.27Å; V167-V217 HydrophobicContact CG2-CG1 4.42Å; V167-V217 HydrophobicContact CG2-CG2 3.93Å; V167-F219 HydrophobicContact CB-CZ 3.93Å; V167-F219 HydrophobicContact CG1-CE1 4.5Å; V167-F219 HydrophobicContact CG1-CE2 3.73Å; V167-F219 HydrophobicContact CG1-CZ 3.34Å; V167-V232 HydrophobicContact CG1-CB 4.24Å; V167-V232 HydrophobicContact CG1-CG1 4.35Å; V167-V232 HydrophobicContact CG1-CG2 4.22Å; V167-V234 HydrophobicContact CG2-CG2 4.06Å | ||
| 168 | R | 73.1 | Confident | 73.9 | Confident | 224 Ų | 224 | 72.8 Ų | 72.8 | 85% | 0.845 | 39% | 0.392 | S | S | * | . | trans | -88.2 | 124.8 | 176.8 | -64.7 | -174.7 | -178 | 123.9 | -0.6 | 108.6 | R166 | R166-R168 PolarHBondContact O-N 3.29Š| ||
| 169 | F | 67 | Low | 71.9 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 22% | 0.219 | 40% | 0.396 | C | S | . | . | trans | -122.1 | 149.2 | 169.9 | 48.3 | -88.7 | 0 | 0 | 0 | 107.9 | V167 P171 L175 V177 P195 F219 | V167-F169 WeakPolarHBondContact O-CD1 3.39Å; F169-P171 VanDerWaalsContact O-CD 3.3Å; F169-P171 WeakPolarHBondContact O-CD 3.5Å; F169-L175 HydrophobicContact CB-CD2 4.4Å; F169-L175 HydrophobicContact CD2-CB 4.47Å; F169-L175 HydrophobicContact CD2-CD1 4.34Å; F169-L175 HydrophobicContact CD2-CD2 3.6Å; F169-L175 HydrophobicContact CD2-CG 4.36Å; F169-L175 HydrophobicContact CE2-CB 4.38Å; F169-L175 HydrophobicContact CE2-CD2 3.97Å; F169-L175 HydrophobicContact CG-CD2 3.99Å; F169-V177 HydrophobicContact CD1-CG2 4.4Å; F169-V177 HydrophobicContact CE1-CG2 3.72Å; F169-V177 HydrophobicContact CE2-CG2 4.29Å; F169-V177 HydrophobicContact CZ-CG2 3.66Å; F169-P195 VanDerWaalsContact CZ-O 3.23Å; F169-P195 WeakPolarHBondContact CZ-O 3.21Å; F169-F219 HydrophobicContact CB-CD1 3.92Å; F169-F219 HydrophobicContact CB-CE1 3.93Å; F169-F219 HydrophobicContact CB-CG 4.36Å; F169-F219 HydrophobicContact CB-CZ 4.36Å; F169-F219 AromaticContact CD1-CD1 3.76Å; F169-F219 HydrophobicContact CD1-CD1 3.76Å; F169-F219 AromaticContact CD1-CE1 3.14Å; F169-F219 HydrophobicContact CD1-CE1 3.14Å; F169-F219 AromaticContact CD1-CZ 3.85Å; F169-F219 HydrophobicContact CD1-CZ 3.85Å; F169-F219 HydrophobicContact CE1-CD1 4.42Å; F169-F219 AromaticContact CE1-CE1 3.77Å; F169-F219 HydrophobicContact CE1-CE1 3.77Å; F169-F219 AromaticContact CG-CD1 3.86Å; F169-F219 HydrophobicContact CG-CD1 3.86Å; F169-F219 AromaticContact CG-CE1 3.71Å; F169-F219 HydrophobicContact CG-CE1 3.71Å; F169-F219 HydrophobicContact CG-CZ 4.48Å | ||
| 170 | D | 55.2 | Low | 69.8 | Low | 75 Ų | 75 | 70.6 Ų | 70.6 | 40% | 0.401 | 37% | 0.372 | S | S | . | . | trans | -66 | 120.3 | 171.8 | -164.2 | -14.6 | 0 | 0 | 0 | 107.4 | F172 | D170-F172 HydrophobicContact CB-CD2 4.4Å; D170-F172 HydrophobicContact CB-CE2 4.1Å; D170-F172 PolarHBondContact O-N 3.02Å | ||
| 171 | P | 49.5 | Very low | 67.6 | Low | 98 Ų | 98 | 72.5 Ų | 72.5 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | trans | -72.3 | 77.6 | 178.9 | 30 | -34.3 | 0 | 0 | 0 | 110 | F169 S173 | F169-P171 VanDerWaalsContact O-CD 3.3Å; F169-P171 WeakPolarHBondContact O-CD 3.5Å; P171-S173 PolarHBondContact O-N 2.86Å | ||
| 172 | F | 51.8 | Low | 65.6 | Low | 78 Ų | 78 | 71.2 Ų | 71.2 | 34% | 0.342 | 36% | 0.357 | S | S | . | . | trans | -61.7 | 114.8 | 148.7 | -60.3 | -77.3 | 0 | 0 | 0 | 105.3 | D170 D174 L175 W228 | D170-F172 HydrophobicContact CB-CD2 4.4Å; D170-F172 HydrophobicContact CB-CE2 4.1Å; D170-F172 PolarHBondContact O-N 3.02Å; F172-D174 PolarHBondContact O-N 2.94Å; F172-L175 HydrophobicContact CB-CD1 4.3Å; F172-L175 HydrophobicContact CD2-CD1 4.4Å; F172-L175 PolarHBondContact O-N 2.98Å; F172-L175 VanDerWaalsContact O-N 3.13Å; F172-W228 HydrophobicContact CZ-CZ3 4.42Å | ||
| 173 | S | 49.9 | Very low | 63.4 | Low | 100 Ų | 100 | 71.3 Ų | 71.3 | 70% | 0.699 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -10 | -158.6 | 56.3 | 0 | 0 | 0 | 0 | 119.2 | P171 | P171-S173 PolarHBondContact O-N 2.86Š|
| 174 | D | 53.3 | Low | 62.2 | Low | 66 Ų | 66 | 69.1 Ų | 69.1 | 35% | 0.353 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 21.3 | -169.8 | -35.6 | -38.6 | 0 | 0 | 0 | 112 | F172 L176 R223 | F172-D174 PolarHBondContact O-N 2.94Å; D174-L176 PolarHBondContact O-N 3.03Å; D174-L176 VanDerWaalsContact O-N 3.14Å; D174-R223 IonicContact OD2-CZ 2.65Å; D174-R223 IonicContact OD2-NE 2.97Å; D174-R223 IonicContact OD2-NH2 3.77Å; D174-R223 PolarHBondContact OD2-NH2 3.04Å; D174-R223 VanDerWaalsContact OD2-NH2 3.13Å |
| 175 | L | 54.7 | Low | 61.6 | Low | 33 Ų | 33 | 73.1 Ų | 73.1 | 17% | 0.173 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 111.9 | -173.2 | -139.3 | 121.7 | 0 | 0 | 0 | 111.1 | F169 F172 V177 F219 | F169-L175 HydrophobicContact CB-CD2 4.4Å; F169-L175 HydrophobicContact CD2-CB 4.47Å; F169-L175 HydrophobicContact CD2-CD1 4.34Å; F169-L175 HydrophobicContact CD2-CD2 3.6Å; F169-L175 HydrophobicContact CD2-CG 4.36Å; F169-L175 HydrophobicContact CE2-CB 4.38Å; F169-L175 HydrophobicContact CE2-CD2 3.97Å; F169-L175 HydrophobicContact CG-CD2 3.99Å; F172-L175 HydrophobicContact CB-CD1 4.3Å; F172-L175 HydrophobicContact CD2-CD1 4.4Å; F172-L175 PolarHBondContact O-N 2.98Å; F172-L175 VanDerWaalsContact O-N 3.13Å; L175-V177 HydrophobicContact CD2-CG2 4.03Å; L175-V177 PolarHBondContact O-N 3.15Å; L175-F219 HydrophobicContact CD2-CB 3.8Å; L175-F219 HydrophobicContact CD2-CD1 3.47Å; L175-F219 VanDerWaalsContact CD2-CD1 3.47Å; L175-F219 HydrophobicContact CD2-CG 4.05Å |
| 176 | L | 52.5 | Low | 61.4 | Low | 91 Ų | 91 | 73.2 Ų | 73.2 | 48% | 0.476 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 105 | 167.7 | -71.1 | 178 | 0 | 0 | 0 | 107.1 | D174 R178 H220 N222 | D174-L176 PolarHBondContact O-N 3.03Å; D174-L176 VanDerWaalsContact O-N 3.14Å; L176-R178 PolarHBondContact O-N 2.8Å; L176-H220 PolarHBondContact N-O 3.13Å; L176-H220 PolarHBondContact O-CD2 2.63Å; L176-H220 VanDerWaalsContact O-CD2 3.29Å; L176-H220 PolarHBondContact O-N 3.12Å; L176-H220 VanDerWaalsContact O-N 3.17Å; L176-N222 HydrophobicContact CD1-CB 3.72Å; L176-N222 HydrophobicContact CG-CB 4.36Å |
| 177 | V | 53.7 | Low | 61.5 | Low | 18 Ų | 18 | 66.5 Ų | 66.5 | 11% | 0.109 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 110.6 | 168.9 | -175.4 | 0 | 0 | 0 | 0 | 106.9 | F169 L175 I179 P195 V217 F219 | F169-V177 HydrophobicContact CD1-CG2 4.4Å; F169-V177 HydrophobicContact CE1-CG2 3.72Å; F169-V177 HydrophobicContact CE2-CG2 4.29Å; F169-V177 HydrophobicContact CZ-CG2 3.66Å; L175-V177 HydrophobicContact CD2-CG2 4.03Å; L175-V177 PolarHBondContact O-N 3.15Å; V177-I179 HydrophobicContact CG1-CD1 3.82Å; V177-I179 HydrophobicContact CG1-CG1 3.98Å; V177-P195 WeakPolarHBondContact CG2-O 3.38Å; V177-V217 HydrophobicContact CG1-CG1 4.1Å; V177-F219 HydrophobicContact CG1-CD1 4.28Å; V177-F219 HydrophobicContact CG1-CE1 3.95Å; V177-F219 HydrophobicContact CG2-CD1 3.96Å; V177-F219 HydrophobicContact CG2-CE1 3.97Å |
| 178 | R | 55.4 | Low | 61.8 | Low | 123 Ų | 123 | 67 Ų | 67 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 106 | 171.1 | -162.4 | 179.6 | -170.9 | -152.8 | 2.8 | 107.8 | L176 V180 Y218 H220 | L176-R178 PolarHBondContact O-N 2.8Å; R178-V180 PolarHBondContact O-N 3.03Å; R178-Y218 PolarHBondContact N-O 3.08Å; R178-Y218 WeakPolarHBondContact O-CB 3.48Å; R178-H220 WeakPolarHBondContact CB-NE2 3.35Å |
| 179 | I | 55.2 | Low | 62.7 | Low | 47 Ų | 47 | 61.8 Ų | 61.8 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | trans | -80.2 | 106.4 | 175.1 | -56.9 | 108.2 | 0 | 0 | 0 | 106.9 | V177 K181 V193 V217 | V177-I179 HydrophobicContact CG1-CD1 3.82Å; V177-I179 HydrophobicContact CG1-CG1 3.98Å; I179-K181 PolarHBondContact O-N 3.22Å; I179-V193 HydrophobicContact CB-CB 4.31Å; I179-V193 HydrophobicContact CD1-CB 3.34Å; I179-V193 HydrophobicContact CD1-CG1 3.55Å; I179-V193 HydrophobicContact CD1-CG2 4.47Å; I179-V193 WeakPolarHBondContact CD1-O 3.41Å; I179-V193 HydrophobicContact CG1-CB 3.45Å; I179-V193 VanDerWaalsContact CG1-CB 3.45Å; I179-V193 HydrophobicContact CG1-CG1 3.63Å; I179-V193 HydrophobicContact CG1-CG2 4.12Å; I179-V193 HydrophobicContact CG2-CB 4.28Å; I179-V193 HydrophobicContact CG2-CG2 4.13Å; I179-V217 HydrophobicContact CG1-CG1 4.12Å | ||
| 180 | V | 54.8 | Low | 63.9 | Low | 16 Ų | 16 | 59.5 Ų | 59.5 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | trans | -81.2 | 106.1 | 172.9 | -171.5 | 0 | 0 | 0 | 0 | 105.4 | W10 V24 R178 Y218 | W10-V180 HydrophobicContact CZ2-CB 4.24Å; W10-V180 HydrophobicContact CZ2-CG1 3.86Å; V24-V180 HydrophobicContact CB-CG1 3.62Å; V24-V180 HydrophobicContact CG1-CG1 3.59Å; V24-V180 HydrophobicContact CG2-CG1 3.7Å; R178-V180 PolarHBondContact O-N 3.03Å; V180-Y218 HydrophobicContact CB-CD2 3.54Å; V180-Y218 HydrophobicContact CB-CE2 3.55Å; V180-Y218 HydrophobicContact CG2-CD2 3.48Å; V180-Y218 VanDerWaalsContact CG2-CD2 3.48Å; V180-Y218 HydrophobicContact CG2-CE2 3.96Å; V180-Y218 HydrophobicContact CG2-CG 4.08Å | ||
| 181 | K | 51.9 | Low | 65.7 | Low | 125 Ų | 125 | 56.8 Ų | 56.8 | 54% | 0.543 | 30% | 0.303 | S | S | . | . | trans | -51.2 | 133.5 | 174.6 | -64.6 | -178.3 | 176.7 | -161.7 | 0 | 107.6 | V24 I179 G188 | V24-K181 VanDerWaalsContact CG2-O 3.3Å; V24-K181 WeakPolarHBondContact CG2-O 3.11Å; I179-K181 PolarHBondContact O-N 3.22Å; K181-G188 WeakPolarHBondContact CE-O 3.22Å; K181-G188 PolarHBondContact NZ-O 2.84Å | ||
| 182 | P | 54.3 | Low | 67.6 | Low | 20 Ų | 20 | 56.9 Ų | 56.9 | 13% | 0.13 | 30% | 0.295 | C | S | . | . | trans | -54.4 | 153.4 | 164.9 | -14.3 | 27.3 | 0 | 0 | 0 | 108.1 | D184 V187 F215 | P182-D184 HydrophobicContact CB-CB 3.83Å; P182-D184 PolarHBondContact O-N 3.13Å; P182-V187 HydrophobicContact CG-CB 4.18Å; P182-V187 HydrophobicContact CG-CG1 3.96Å; P182-F215 HydrophobicContact CG-CB 3.32Å | ||
| 183 | A | 51.4 | Low | 69.2 | Low | 49 Ų | 49 | 53.9 Ų | 53.9 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -58.8 | -12.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N22 V185 | N22-A183 HydrophobicContact CB-CB 4.17Å; N22-A183 WeakPolarHBondContact OD1-CB 3.48Å; A183-V185 PolarHBondContact O-N 3.19Å |
| 184 | D | 71.4 | Confident | 70.8 | Confident | 42 Ų | 42 | 51.1 Ų | 51.1 | 23% | 0.225 | 26% | 0.262 | C | S | . | . | trans | -55.3 | 100.6 | 165.7 | -160.5 | -41.6 | 0 | 0 | 0 | 113.3 | P182 Y186 V187 G188 R210 | P182-D184 HydrophobicContact CB-CB 3.83Å; P182-D184 PolarHBondContact O-N 3.13Å; D184-Y186 PolarHBondContact O-N 3.42Å; D184-Y186 VanDerWaalsContact OD1-CB 3.26Å; D184-Y186 WeakPolarHBondContact OD1-CB 3.36Å; D184-Y186 PolarHBondContact OD1-N 2.03Å; D184-V187 HydrophobicContact CB-CB 4.18Å; D184-V187 HydrophobicContact CB-CG2 3.99Å; D184-V187 PolarHBondContact O-N 3Å; D184-V187 PolarHBondContact OD1-N 2.89Å; D184-G188 PolarHBondContact O-N 3.39Å; D184-R210 IonicContact OD1-NH1 3.09Å; D184-R210 PolarHBondContact OD1-NH1 2.66Å; D184-R210 IonicContact OD2-CZ 2.89Å; D184-R210 IonicContact OD2-NH1 2.69Å; D184-R210 PolarHBondContact OD2-NH1 2.82Å; D184-R210 IonicContact OD2-NH2 3.33Å; D184-R210 PolarHBondContact OD2-NH2 3.49Å | ||
| 185 | V | 83.1 | Confident | 72 | Confident | 111 Ų | 111 | 52.5 Ų | 52.5 | 67% | 0.673 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.3 | -33.1 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | A183 R189 | A183-V185 PolarHBondContact O-N 3.19Å; V185-R189 WeakPolarHBondContact O-CG 3.25Å; V185-R189 PolarHBondContact O-N 3.45Å |
| 186 | Y | 87.6 | Confident | 73.1 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.2 | -52.2 | 178.3 | 175.1 | -94.2 | 0 | 0 | 0 | 110.5 | D184 G188 R189 V190 L209 R210 F213 | D184-Y186 PolarHBondContact O-N 3.42Å; D184-Y186 VanDerWaalsContact OD1-CB 3.26Å; D184-Y186 WeakPolarHBondContact OD1-CB 3.36Å; D184-Y186 PolarHBondContact OD1-N 2.03Å; Y186-G188 VanDerWaalsContact C-N 3.27Å; Y186-G188 PolarHBondContact O-N 2.91Å; Y186-R189 WeakPolarHBondContact O-CB 3.45Å; Y186-R189 PolarHBondContact O-N 3.1Å; Y186-V190 HydrophobicContact CD1-CG2 4Å; Y186-V190 HydrophobicContact CD2-CG1 4.16Å; Y186-V190 HydrophobicContact CE1-CG1 4.27Å; Y186-V190 HydrophobicContact CE1-CG2 3.67Å; Y186-V190 HydrophobicContact CE2-CG1 3.79Å; Y186-V190 WeakPolarHBondContact O-CG2 3.36Å; Y186-V190 PolarHBondContact O-N 2.59Å; Y186-L209 HydrophobicContact CD2-CD2 4.26Å; Y186-L209 HydrophobicContact CE2-CD2 3.84Å; Y186-L209 HydrophobicContact CE2-CG 4.47Å; Y186-R210 HydrophobicContact CE1-CB 3.99Å; Y186-R210 HydrophobicContact CE1-CG 4.3Å; Y186-F213 AromaticContact CE1-CD1 3.95Å; Y186-F213 HydrophobicContact CE1-CD1 3.95Å; Y186-F213 HydrophobicContact CE1-CE1 4.25Å; Y186-F213 HydrophobicContact CE1-CG 4.48Å |
| 187 | V | 87.1 | Confident | 74.4 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | -179.7 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | P182 D184 R189 V190 V191 F213 F215 | P182-V187 HydrophobicContact CG-CB 4.18Å; P182-V187 HydrophobicContact CG-CG1 3.96Å; D184-V187 HydrophobicContact CB-CB 4.18Å; D184-V187 HydrophobicContact CB-CG2 3.99Å; D184-V187 PolarHBondContact O-N 3Å; D184-V187 PolarHBondContact OD1-N 2.89Å; V187-R189 PolarHBondContact O-N 2.97Å; V187-V190 PolarHBondContact O-N 2.87Å; V187-V191 HydrophobicContact CG1-CB 4.28Å; V187-V191 HydrophobicContact CG1-CG2 3.89Å; V187-V191 WeakPolarHBondContact O-CB 3.22Å; V187-V191 PolarHBondContact O-N 2.88Å; V187-V191 VanDerWaalsContact O-N 3.07Å; V187-F213 HydrophobicContact CG1-CD2 4.27Å; V187-F213 HydrophobicContact CG2-CB 3.84Å; V187-F213 HydrophobicContact CG2-CD2 3.9Å; V187-F213 HydrophobicContact CG2-CG 4.13Å; V187-F215 HydrophobicContact CG1-CB 3.94Å; V187-F215 HydrophobicContact CG1-CD1 3.88Å; V187-F215 HydrophobicContact CG1-CG 4.17Å |
| 188 | G | 85.2 | Confident | 76.1 | Confident | 12 Ų | 12 | 51 Ų | 51 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -19.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K181 D184 Y186 | K181-G188 WeakPolarHBondContact CE-O 3.22Å; K181-G188 PolarHBondContact NZ-O 2.84Å; D184-G188 PolarHBondContact O-N 3.39Å; Y186-G188 VanDerWaalsContact C-N 3.27Å; Y186-G188 PolarHBondContact O-N 2.91Å |
| 189 | R | 91 | Very high | 77.8 | Confident | 115 Ų | 115 | 45.1 Ų | 45.1 | 43% | 0.434 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -93.4 | -46.4 | 174.8 | -75.9 | -169.2 | -59.6 | 132.7 | -8.3 | 112.6 | V185 Y186 V187 A202 E203 | V185-R189 WeakPolarHBondContact O-CG 3.25Å; V185-R189 PolarHBondContact O-N 3.45Å; Y186-R189 WeakPolarHBondContact O-CB 3.45Å; Y186-R189 PolarHBondContact O-N 3.1Å; V187-R189 PolarHBondContact O-N 2.97Å; R189-A202 WeakPolarHBondContact O-CB 3.4Å; R189-E203 IonicContact CZ-OE2 3.95Å; R189-E203 IonicContact NH1-OE2 3.13Å; R189-E203 PolarHBondContact NH1-OE2 3.26Å |
| 190 | V | 93.8 | Very high | 79.7 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -87.5 | -17.7 | -169.5 | -53.2 | 0 | 0 | 0 | 0 | 114.3 | Y186 V187 A202 E203 L205 F213 | Y186-V190 HydrophobicContact CD1-CG2 4Å; Y186-V190 HydrophobicContact CD2-CG1 4.16Å; Y186-V190 HydrophobicContact CE1-CG1 4.27Å; Y186-V190 HydrophobicContact CE1-CG2 3.67Å; Y186-V190 HydrophobicContact CE2-CG1 3.79Å; Y186-V190 WeakPolarHBondContact O-CG2 3.36Å; Y186-V190 PolarHBondContact O-N 2.59Å; V187-V190 PolarHBondContact O-N 2.87Å; V190-A202 PolarHBondContact O-N 3.39Å; V190-E203 HydrophobicContact CG1-CB 4.25Å; V190-L205 HydrophobicContact CB-CD2 3.64Å; V190-L205 HydrophobicContact CG1-CD2 4.17Å; V190-L205 HydrophobicContact CG2-CD2 3.73Å; V190-F213 HydrophobicContact CG2-CZ 4.37Å |
| 191 | V | 91.2 | Very high | 81.6 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.6 | -179.5 | -176 | 0 | 0 | 0 | 0 | 111.5 | V187 V193 V199 F213 F215 | V187-V191 HydrophobicContact CG1-CB 4.28Å; V187-V191 HydrophobicContact CG1-CG2 3.89Å; V187-V191 WeakPolarHBondContact O-CB 3.22Å; V187-V191 PolarHBondContact O-N 2.88Å; V187-V191 VanDerWaalsContact O-N 3.07Å; V191-V193 HydrophobicContact CG1-CG2 4.01Å; V191-V199 HydrophobicContact CG1-CG1 3.76Å; V191-F213 HydrophobicContact CG2-CD2 4.4Å; V191-F213 HydrophobicContact CG2-CE2 3.5Å; V191-F213 VanDerWaalsContact CG2-CE2 3.5Å; V191-F213 HydrophobicContact CG2-CZ 4.04Å; V191-F215 HydrophobicContact CG1-CE1 3.94Å; V191-F215 HydrophobicContact CG1-CE2 4.3Å; V191-F215 HydrophobicContact CG1-CZ 3.8Å; V191-F215 HydrophobicContact CG2-CD1 4.44Å; V191-F215 HydrophobicContact CG2-CE1 4.11Å |
| 192 | Q | 89.4 | Confident | 83.7 | Confident | 100 Ų | 100 | 38.3 Ų | 38.3 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.9 | 162.8 | 178.1 | 177.1 | 16 | 0 | 0 | 109.4 | V194 V199 S200 A202 | Q192-V194 HydrophobicContact CG-CG1 4.45Å; Q192-V199 WeakPolarHBondContact O-CA 3.45Å; Q192-S200 PolarHBondContact N-O 3.11Å; Q192-S200 PolarHBondContact O-N 2.99Å; Q192-A202 HydrophobicContact CB-CB 3.96Å |
| 193 | V | 85.7 | Confident | 85.7 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.4 | 169.3 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | I179 V191 T198 V199 F215 | I179-V193 HydrophobicContact CB-CB 4.31Å; I179-V193 HydrophobicContact CD1-CB 3.34Å; I179-V193 HydrophobicContact CD1-CG1 3.55Å; I179-V193 HydrophobicContact CD1-CG2 4.47Å; I179-V193 WeakPolarHBondContact CD1-O 3.41Å; I179-V193 HydrophobicContact CG1-CB 3.45Å; I179-V193 VanDerWaalsContact CG1-CB 3.45Å; I179-V193 HydrophobicContact CG1-CG1 3.63Å; I179-V193 HydrophobicContact CG1-CG2 4.12Å; I179-V193 HydrophobicContact CG2-CB 4.28Å; I179-V193 HydrophobicContact CG2-CG2 4.13Å; V191-V193 HydrophobicContact CG1-CG2 4.01Å; V193-T198 VanDerWaalsContact CA-O 3.3Å; V193-T198 WeakPolarHBondContact CA-O 3.24Å; V193-V199 HydrophobicContact CG1-CG2 4.3Å; V193-V199 HydrophobicContact CG2-CB 4.28Å; V193-V199 HydrophobicContact CG2-CG1 4.03Å; V193-V199 HydrophobicContact CG2-CG2 3.91Å; V193-F215 HydrophobicContact CG2-CE2 4.03Å |
| 194 | V | 84 | Confident | 87.9 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 25% | 0.248 | 24% | 0.242 | C | C | . | . | trans | -95.7 | 160.4 | -179.3 | -72.7 | 0 | 0 | 0 | 0 | 110.7 | Q192 N196 G197 T198 | Q192-V194 HydrophobicContact CG-CG1 4.45Å; V194-N196 WeakPolarHBondContact CG2-OD1 3.14Å; V194-N196 PolarHBondContact O-N 3.27Å; V194-G197 PolarHBondContact O-N 2.9Å; V194-T198 HydrophobicContact CG2-CG2 4.45Å; V194-T198 WeakPolarHBondContact CG2-O 3.11Å; V194-T198 PolarHBondContact N-O 3.34Å | ||
| 195 | P | 77.8 | Confident | 89.1 | Confident | 95 Ų | 95 | 41.9 Ų | 41.9 | 62% | 0.617 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17.8 | -173.3 | -28.8 | 36.3 | 0 | 0 | 0 | 116.3 | F169 V177 G197 | F169-P195 VanDerWaalsContact CZ-O 3.23Å; F169-P195 WeakPolarHBondContact CZ-O 3.21Å; V177-P195 WeakPolarHBondContact CG2-O 3.38Å; P195-G197 VanDerWaalsContact C-N 3.25Å; P195-G197 PolarHBondContact O-N 3.37Å |
| 196 | N | 79 | Confident | 89.8 | Confident | 80 Ų | 80 | 39.8 Ų | 39.8 | 43% | 0.428 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.3 | 175.7 | 71.1 | 5.2 | 0 | 0 | 0 | 113.9 | R166 V194 T198 | R166-N196 PolarHBondContact NE-O 3.28Å; R166-N196 PolarHBondContact NH2-O 2.67Å; V194-N196 WeakPolarHBondContact CG2-OD1 3.14Å; V194-N196 PolarHBondContact O-N 3.27Å; N196-T198 VanDerWaalsContact OD1-CB 3.31Å; N196-T198 WeakPolarHBondContact OD1-CB 3.35Å; N196-T198 PolarHBondContact OD1-N 2.92Å; N196-T198 PolarHBondContact OD1-OG1 3.12Å; N196-T198 VanDerWaalsContact OD1-OG1 3.1Å |
| 197 | G | 79.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 88.4 | -2.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | R166 V167 V194 P195 V199 | R166-G197 CarbonylContact C-O 3.55Å; R166-G197 WeakPolarHBondContact CA-O 3.29Å; V167-G197 PolarHBondContact N-O 3.03Å; V167-G197 WeakPolarHBondContact O-CA 3.3Å; V194-G197 PolarHBondContact O-N 2.9Å; P195-G197 VanDerWaalsContact C-N 3.25Å; P195-G197 PolarHBondContact O-N 3.37Å; G197-V199 PolarHBondContact O-N 3.04Å |
| 198 | T | 88.9 | Confident | 90.7 | Very high | 30 Ų | 30 | 42.5 Ų | 42.5 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131 | 177.6 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | P163 V193 V194 N196 | P163-T198 HydrophobicContact CB-CG2 3.65Å; V193-T198 VanDerWaalsContact CA-O 3.3Å; V193-T198 WeakPolarHBondContact CA-O 3.24Å; V194-T198 HydrophobicContact CG2-CG2 4.45Å; V194-T198 WeakPolarHBondContact CG2-O 3.11Å; V194-T198 PolarHBondContact N-O 3.34Å; N196-T198 VanDerWaalsContact OD1-CB 3.31Å; N196-T198 WeakPolarHBondContact OD1-CB 3.35Å; N196-T198 PolarHBondContact OD1-N 2.92Å; N196-T198 PolarHBondContact OD1-OG1 3.12Å; N196-T198 VanDerWaalsContact OD1-OG1 3.1Å |
| 199 | V | 91 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.2 | 176.1 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | M152 P163 F164 G165 V167 V191 Q192 V193 G197 F215 | M152-V199 HydrophobicContact CE-CG2 3.89Å; M152-V199 HydrophobicContact SD-CB 4.14Å; M152-V199 HydrophobicContact SD-CG1 4.33Å; M152-V199 HydrophobicContact SD-CG2 4.03Å; P163-V199 WeakPolarHBondContact CA-O 2.82Å; F164-V199 HydrophobicContact CD2-CG1 4.41Å; F164-V199 HydrophobicContact CE1-CG1 3.84Å; F164-V199 HydrophobicContact CE2-CB 4.46Å; F164-V199 HydrophobicContact CE2-CG1 3.63Å; F164-V199 HydrophobicContact CZ-CB 4.4Å; F164-V199 HydrophobicContact CZ-CG1 3.31Å; F164-V199 PolarHBondContact N-O 2.93Å; G165-V199 PolarHBondContact N-O 2.85Å; G165-V199 PolarHBondContact O-N 2.95Å; V167-V199 HydrophobicContact CG2-CG2 4.13Å; V191-V199 HydrophobicContact CG1-CG1 3.76Å; Q192-V199 WeakPolarHBondContact O-CA 3.45Å; V193-V199 HydrophobicContact CG1-CG2 4.3Å; V193-V199 HydrophobicContact CG2-CB 4.28Å; V193-V199 HydrophobicContact CG2-CG1 4.03Å; V193-V199 HydrophobicContact CG2-CG2 3.91Å; G197-V199 PolarHBondContact O-N 3.04Å; V199-F215 HydrophobicContact CG1-CZ 3.74Å; V199-F215 HydrophobicContact CG2-CZ 4.44Å |
| 200 | S | 94.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 161.4 | -176.1 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | T162 Q192 | T162-S200 VanDerWaalsContact O-CA 3.24Å; T162-S200 WeakPolarHBondContact O-CA 3.42Å; T162-S200 WeakPolarHBondContact O-CB 3.19Å; Q192-S200 PolarHBondContact N-O 3.11Å; Q192-S200 PolarHBondContact O-N 2.99Å |
| 201 | I | 96.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 130.3 | 177 | -57.7 | 179.1 | 0 | 0 | 0 | 109.8 | V154 A158 V160 G161 T162 F164 E203 L205 | V154-I201 HydrophobicContact CG2-CD1 3.65Å; V154-I201 HydrophobicContact CG2-CG1 4.12Å; A158-I201 HydrophobicContact CB-CD1 3.4Å; A158-I201 VanDerWaalsContact CB-CD1 3.4Å; A158-I201 WeakPolarHBondContact O-CD1 3.43Å; V160-I201 HydrophobicContact CG2-CG2 4.49Å; G161-I201 WeakPolarHBondContact CA-O 2.98Å; G161-I201 PolarHBondContact N-O 2.71Å; T162-I201 PolarHBondContact O-N 3.33Å; T162-I201 VanDerWaalsContact O-N 3.08Å; F164-I201 HydrophobicContact CD1-CG1 3.84Å; F164-I201 HydrophobicContact CE1-CG1 4.04Å; I201-E203 WeakPolarHBondContact CG2-O 3.44Å; I201-L205 HydrophobicContact CD1-CD1 3.97Å; I201-L205 HydrophobicContact CD1-CG 4.47Å; I201-L205 HydrophobicContact CG1-CD1 4.2Å; I201-L205 HydrophobicContact CG2-CG 4.38Å |
| 202 | A | 95 | Very high | 91.6 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 28% | 0.281 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -106.2 | -31.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | V160 R189 V190 Q192 | V160-A202 WeakPolarHBondContact CG1-O 3.1Å; R189-A202 WeakPolarHBondContact O-CB 3.4Å; V190-A202 PolarHBondContact O-N 3.39Å; Q192-A202 HydrophobicContact CB-CB 3.96Å |
| 203 | E | 96.7 | Very high | 91.6 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -135.2 | 152.8 | 171.9 | -76 | -178.9 | -162.3 | 0 | 0 | 108.4 | R189 V190 I201 L205 | R189-E203 IonicContact CZ-OE2 3.95Å; R189-E203 IonicContact NH1-OE2 3.13Å; R189-E203 PolarHBondContact NH1-OE2 3.26Å; V190-E203 HydrophobicContact CG1-CB 4.25Å; I201-E203 WeakPolarHBondContact CG2-O 3.44Å; E203-L205 PolarHBondContact O-N 3.26Å |
| 204 | P | 97.3 | Very high | 91.4 | Very high | 101 Ų | 101 | 52 Ų | 52 | 66% | 0.656 | 27% | 0.271 | S | S | * | . | trans | -49.8 | 139.1 | 176.5 | -25.7 | 34.9 | 0 | 0 | 0 | 111.9 | V160 | V160-P204 HydrophobicContact CG2-CG 4.03Š| ||
| 205 | L | 97.6 | Very high | 91.1 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | trans | -90.7 | 152.9 | 175.7 | -63 | 175.7 | 0 | 0 | 0 | 109.2 | V154 E156 V190 I201 E203 F213 V238 | V154-L205 HydrophobicContact CB-CD1 4.35Å; V154-L205 HydrophobicContact CG1-CD1 3.49Å; V154-L205 VanDerWaalsContact CG1-CD1 3.49Å; V154-L205 HydrophobicContact CG2-CD1 3.91Å; E156-L205 HydrophobicContact CB-CB 4.31Å; V190-L205 HydrophobicContact CB-CD2 3.64Å; V190-L205 HydrophobicContact CG1-CD2 4.17Å; V190-L205 HydrophobicContact CG2-CD2 3.73Å; I201-L205 HydrophobicContact CD1-CD1 3.97Å; I201-L205 HydrophobicContact CD1-CG 4.47Å; I201-L205 HydrophobicContact CG1-CD1 4.2Å; I201-L205 HydrophobicContact CG2-CG 4.38Å; E203-L205 PolarHBondContact O-N 3.26Å; L205-F213 HydrophobicContact CD2-CE1 4.44Å; L205-V238 HydrophobicContact CB-CG1 4.36Å; L205-V238 HydrophobicContact CD1-CG2 4.48Å | ||
| 206 | D | 97.2 | Very high | 90.8 | Very high | 66 Ų | 66 | 48 Ų | 48 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | trans | -140.5 | 112.3 | 176.1 | 170.3 | -14.1 | 0 | 0 | 0 | 105.8 | E208 L209 R210 | D206-E208 WeakPolarHBondContact OD1-CB 3.46Å; D206-E208 PolarHBondContact OD1-N 3.2Å; D206-L209 HydrophobicContact CB-CB 3.93Å; D206-L209 VanDerWaalsContact CG-CB 3.49Å; D206-L209 PolarHBondContact O-N 2.86Å; D206-L209 PolarHBondContact OD1-N 2.74Å; D206-L209 WeakPolarHBondContact OD2-CB 3.34Å; D206-R210 PolarHBondContact O-N 3.28Å | ||
| 207 | R | 97.5 | Very high | 90.4 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -35 | -175.2 | -173 | -131.4 | 59.8 | 114.2 | -2.9 | 110.5 | E156 L209 R210 S211 V238 D240 P275 | E156-R207 HydrophobicContact CB-CB 4.39Å; E156-R207 WeakPolarHBondContact OE1-CB 3.49Å; E156-R207 WeakPolarHBondContact OE2-CB 3.31Å; E156-R207 PolarHBondContact OE2-N 2.7Å; R207-L209 PolarHBondContact O-N 2.78Å; R207-R210 CarbonylContact O-C 3.48Å; R207-R210 VanDerWaalsContact O-C 3.29Å; R207-R210 PolarHBondContact O-N 3.41Å; R207-S211 PolarHBondContact O-N 2.92Å; R207-V238 HydrophobicContact CB-CB 4.28Å; R207-V238 HydrophobicContact CB-CG1 3.8Å; R207-V238 HydrophobicContact CG-CB 4.14Å; R207-V238 HydrophobicContact CG-CG1 4.14Å; R207-D240 VanDerWaalsContact CD-OD1 3.23Å; R207-D240 WeakPolarHBondContact CD-OD1 3.36Å; R207-D240 IonicContact CZ-OD1 3.73Å; R207-D240 IonicContact NE-OD1 3.81Å; R207-D240 PolarHBondContact NE-OD1 3.05Å; R207-D240 IonicContact NH2-OD1 2.91Å; R207-P275 PolarHBondContact NH2-O 3.17Å |
| 208 | E | 96.6 | Very high | 89.8 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -35.9 | 174.8 | -70.4 | 62.4 | -111.9 | 0 | 0 | 111 | D206 N244 P275 | D206-E208 WeakPolarHBondContact OD1-CB 3.46Å; D206-E208 PolarHBondContact OD1-N 3.2Å; E208-N244 WeakPolarHBondContact CG-ND2 3.49Å; E208-N244 PolarHBondContact OE2-ND2 2.91Å; E208-N244 VanDerWaalsContact OE2-ND2 3.08Å; E208-P275 HydrophobicContact CB-CB 4.49Å; E208-P275 HydrophobicContact CG-CB 3.62Å; E208-P275 HydrophobicContact CG-CG 3.71Å |
| 209 | L | 95.4 | Very high | 88.6 | Confident | 110 Ų | 110 | 43.7 Ų | 43.7 | 58% | 0.576 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -48.9 | 171.6 | -179.6 | 62.9 | 0 | 0 | 0 | 111.5 | Y186 D206 R207 | Y186-L209 HydrophobicContact CD2-CD2 4.26Å; Y186-L209 HydrophobicContact CE2-CD2 3.84Å; Y186-L209 HydrophobicContact CE2-CG 4.47Å; D206-L209 HydrophobicContact CB-CB 3.93Å; D206-L209 VanDerWaalsContact CG-CB 3.49Å; D206-L209 PolarHBondContact O-N 2.86Å; D206-L209 PolarHBondContact OD1-N 2.74Å; D206-L209 WeakPolarHBondContact OD2-CB 3.34Å; R207-L209 PolarHBondContact O-N 2.78Å |
| 210 | R | 94.4 | Very high | 87.1 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 22% | 0.223 | 23% | 0.225 | C | C | . | . | trans | -156.9 | 101.8 | 179.6 | -164.5 | 171.8 | -174.1 | 177.5 | -0.8 | 114.4 | D184 Y186 D206 R207 R212 V238 | D184-R210 IonicContact OD1-NH1 3.09Å; D184-R210 PolarHBondContact OD1-NH1 2.66Å; D184-R210 IonicContact OD2-CZ 2.89Å; D184-R210 IonicContact OD2-NH1 2.69Å; D184-R210 PolarHBondContact OD2-NH1 2.82Å; D184-R210 IonicContact OD2-NH2 3.33Å; D184-R210 PolarHBondContact OD2-NH2 3.49Å; Y186-R210 HydrophobicContact CE1-CB 3.99Å; Y186-R210 HydrophobicContact CE1-CG 4.3Å; D206-R210 PolarHBondContact O-N 3.28Å; R207-R210 CarbonylContact O-C 3.48Å; R207-R210 VanDerWaalsContact O-C 3.29Å; R207-R210 PolarHBondContact O-N 3.41Å; R210-R212 WeakPolarHBondContact CG-O 3.14Å; R210-R212 PolarHBondContact NE-O 2.95Å; R210-R212 VanDerWaalsContact NE-O 3.11Å; R210-R212 PolarHBondContact O-N 3.32Å; R210-V238 WeakPolarHBondContact O-CG2 3.48Å | ||
| 211 | S | 95.6 | Very high | 85.3 | Confident | 51 Ų | 51 | 46 Ų | 46 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -73.1 | -22.8 | 178.6 | 64.5 | 0 | 0 | 0 | 0 | 115.3 | R207 V238 | R207-S211 PolarHBondContact O-N 2.92Å; S211-V238 PolarHBondContact O-N 2.74Å |
| 212 | R | 94.6 | Very high | 83.4 | Confident | 171 Ų | 171 | 50.6 Ų | 50.6 | 65% | 0.645 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.9 | -179.4 | -62.8 | -175.5 | -175.4 | -156.2 | 0.8 | 112.5 | R210 V236 | R210-R212 WeakPolarHBondContact CG-O 3.14Å; R210-R212 PolarHBondContact NE-O 2.95Å; R210-R212 VanDerWaalsContact NE-O 3.11Å; R210-R212 PolarHBondContact O-N 3.32Å; R212-V236 WeakPolarHBondContact CA-O 3.26Å |
| 213 | F | 87.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 166.8 | 173 | 57.8 | -92.6 | 0 | 0 | 0 | 110.7 | Y186 V187 V190 V191 L205 F215 V236 V238 | Y186-F213 AromaticContact CE1-CD1 3.95Å; Y186-F213 HydrophobicContact CE1-CD1 3.95Å; Y186-F213 HydrophobicContact CE1-CE1 4.25Å; Y186-F213 HydrophobicContact CE1-CG 4.48Å; V187-F213 HydrophobicContact CG1-CD2 4.27Å; V187-F213 HydrophobicContact CG2-CB 3.84Å; V187-F213 HydrophobicContact CG2-CD2 3.9Å; V187-F213 HydrophobicContact CG2-CG 4.13Å; V190-F213 HydrophobicContact CG2-CZ 4.37Å; V191-F213 HydrophobicContact CG2-CD2 4.4Å; V191-F213 HydrophobicContact CG2-CE2 3.5Å; V191-F213 VanDerWaalsContact CG2-CE2 3.5Å; V191-F213 HydrophobicContact CG2-CZ 4.04Å; L205-F213 HydrophobicContact CD2-CE1 4.44Å; F213-F215 HydrophobicContact CD2-CD1 4.38Å; F213-F215 HydrophobicContact CE2-CD1 4.41Å; F213-F215 HydrophobicContact CE2-CE1 4.25Å; F213-V236 HydrophobicContact CD1-CB 4.43Å; F213-V236 HydrophobicContact CD2-CB 3.87Å; F213-V236 HydrophobicContact CD2-CG2 4.03Å; F213-V236 HydrophobicContact CE1-CB 4.09Å; F213-V236 HydrophobicContact CE1-CG1 3.94Å; F213-V236 HydrophobicContact CE2-CB 3.47Å; F213-V236 VanDerWaalsContact CE2-CB 3.47Å; F213-V236 HydrophobicContact CE2-CG1 3.87Å; F213-V236 HydrophobicContact CE2-CG2 3.5Å; F213-V236 VanDerWaalsContact CE2-CG2 3.5Å; F213-V236 HydrophobicContact CG-CB 4.34Å; F213-V236 HydrophobicContact CZ-CB 3.61Å; F213-V236 HydrophobicContact CZ-CG1 3.48Å; F213-V236 VanDerWaalsContact CZ-CG1 3.48Å; F213-V236 HydrophobicContact CZ-CG2 4.03Å; F213-V236 PolarHBondContact N-O 2.78Å; F213-V236 VanDerWaalsContact N-O 3.11Å; F213-V236 PolarHBondContact O-N 2.84Å; F213-V238 HydrophobicContact CD1-CG2 4.24Å; F213-V238 HydrophobicContact CE1-CG2 3.65Å |
| 214 | W | 83.3 | Confident | 78.9 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 26% | 0.261 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 158.5 | 178.1 | 60.9 | 90.3 | 0 | 0 | 0 | 111.3 | R12 L233 V234 | R12-W214 VanDerWaalsContact NH1-CE2 3.35Å; W214-L233 HydrophobicContact CB-CD1 4.06Å; W214-L233 HydrophobicContact CG-CD1 4.32Å; W214-V234 CarbonylContact C-O 3.44Å; W214-V234 WeakPolarHBondContact CA-O 3.18Å; W214-V234 WeakPolarHBondContact CB-O 3.3Å |
| 215 | F | 77.5 | Confident | 76.2 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 162.8 | 174.1 | 55.8 | -84.3 | 0 | 0 | 0 | 111.2 | P182 V187 V191 V193 V199 F213 V217 V234 V236 | P182-F215 HydrophobicContact CG-CB 3.32Å; V187-F215 HydrophobicContact CG1-CB 3.94Å; V187-F215 HydrophobicContact CG1-CD1 3.88Å; V187-F215 HydrophobicContact CG1-CG 4.17Å; V191-F215 HydrophobicContact CG1-CE1 3.94Å; V191-F215 HydrophobicContact CG1-CE2 4.3Å; V191-F215 HydrophobicContact CG1-CZ 3.8Å; V191-F215 HydrophobicContact CG2-CD1 4.44Å; V191-F215 HydrophobicContact CG2-CE1 4.11Å; V193-F215 HydrophobicContact CG2-CE2 4.03Å; V199-F215 HydrophobicContact CG1-CZ 3.74Å; V199-F215 HydrophobicContact CG2-CZ 4.44Å; F213-F215 HydrophobicContact CD2-CD1 4.38Å; F213-F215 HydrophobicContact CE2-CD1 4.41Å; F213-F215 HydrophobicContact CE2-CE1 4.25Å; F215-V217 HydrophobicContact CD2-CG2 3.81Å; F215-V217 HydrophobicContact CE2-CG2 3.53Å; F215-V234 HydrophobicContact CD1-CB 4.33Å; F215-V234 HydrophobicContact CD2-CB 4.1Å; F215-V234 HydrophobicContact CD2-CG2 4.37Å; F215-V234 HydrophobicContact CE1-CB 3.99Å; F215-V234 HydrophobicContact CE1-CG1 3.77Å; F215-V234 HydrophobicContact CE2-CB 3.74Å; F215-V234 HydrophobicContact CE2-CG1 4.06Å; F215-V234 HydrophobicContact CE2-CG2 3.88Å; F215-V234 HydrophobicContact CG-CB 4.37Å; F215-V234 HydrophobicContact CZ-CB 3.67Å; F215-V234 HydrophobicContact CZ-CG1 3.49Å; F215-V234 VanDerWaalsContact CZ-CG1 3.49Å; F215-V234 HydrophobicContact CZ-CG2 4.17Å; F215-V234 PolarHBondContact N-O 3.42Å; F215-V234 PolarHBondContact O-N 2.72Å; F215-V236 HydrophobicContact CD1-CG2 4.43Å; F215-V236 HydrophobicContact CE1-CG2 3.67Å |
| 216 | Y | 71.2 | Confident | 73.4 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 142.3 | 171.8 | -68.9 | -79.7 | 0 | 0 | 0 | 110.4 | W10 Y218 M231 V232 L233 | W10-Y216 HydrophobicContact CB-CD2 4.49Å; W10-Y216 HydrophobicContact CB-CE2 4.05Å; W10-Y216 HydrophobicContact CG-CD2 4.3Å; W10-Y216 HydrophobicContact CG-CE2 4.34Å; Y216-Y218 VanDerWaalsContact CB-CE2 3.41Å; Y216-Y218 WeakPolarHBondContact CB-OH 3.36Å; Y216-Y218 WeakPolarHBondContact CD2-OH 3.46Å; Y216-M231 HydrophobicContact CD1-SD 4.39Å; Y216-M231 HydrophobicContact CE1-SD 4.49Å; Y216-V232 WeakPolarHBondContact CA-O 3.41Å; Y216-L233 HydrophobicContact CD1-CB 4Å; Y216-L233 HydrophobicContact CD1-CD1 4.15Å; Y216-L233 HydrophobicContact CE1-CB 3.69Å; Y216-L233 HydrophobicContact CE1-CD1 3.79Å; Y216-L233 HydrophobicContact CE1-CG 4.26Å; Y216-L233 HydrophobicContact CE2-CD1 4.24Å |
| 217 | V | 71.4 | Confident | 71 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.7 | 167.9 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | V167 V177 I179 F215 F219 M231 V232 V234 | V167-V217 HydrophobicContact CG2-CB 4.27Å; V167-V217 HydrophobicContact CG2-CG1 4.42Å; V167-V217 HydrophobicContact CG2-CG2 3.93Å; V177-V217 HydrophobicContact CG1-CG1 4.1Å; I179-V217 HydrophobicContact CG1-CG1 4.12Å; F215-V217 HydrophobicContact CD2-CG2 3.81Å; F215-V217 HydrophobicContact CE2-CG2 3.53Å; V217-F219 HydrophobicContact CB-CE2 4.34Å; V217-F219 HydrophobicContact CB-CZ 4.19Å; V217-F219 HydrophobicContact CG1-CE1 3.91Å; V217-F219 HydrophobicContact CG1-CE2 3.95Å; V217-F219 HydrophobicContact CG1-CZ 3.42Å; V217-F219 VanDerWaalsContact CG1-CZ 3.42Å; V217-M231 WeakPolarHBondContact O-CA 3.45Å; V217-V232 PolarHBondContact N-O 2.71Å; V217-V232 PolarHBondContact O-N 3.08Å; V217-V234 HydrophobicContact CG2-CG2 3.94Å |
| 218 | Y | 66.6 | Low | 68.7 | Low | 8 Ų | 8 | 60.6 Ų | 60.6 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.1 | 179.6 | -53.5 | -95.2 | 0 | 0 | 0 | 110.5 | W10 R178 V180 Y216 S230 M231 | W10-Y218 AromaticContact CE2-CZ 3.89Å; W10-Y218 HydrophobicContact CE3-CE1 4.09Å; W10-Y218 AromaticContact CE3-CZ 3.88Å; W10-Y218 HydrophobicContact CH2-CD1 4.08Å; W10-Y218 AromaticContact CH2-CE1 3.16Å; W10-Y218 HydrophobicContact CH2-CE1 3.16Å; W10-Y218 AromaticContact CH2-CE2 3.74Å; W10-Y218 HydrophobicContact CH2-CE2 3.74Å; W10-Y218 AromaticContact CH2-CZ 2.96Å; W10-Y218 WeakPolarHBondContact CH2-OH 3.13Å; W10-Y218 HydrophobicContact CZ2-CE1 4.03Å; W10-Y218 AromaticContact CZ2-CE2 3.78Å; W10-Y218 HydrophobicContact CZ2-CE2 3.78Å; W10-Y218 AromaticContact CZ2-CZ 3.34Å; W10-Y218 WeakPolarHBondContact CZ2-OH 3.3Å; W10-Y218 HydrophobicContact CZ3-CD1 4.36Å; W10-Y218 AromaticContact CZ3-CE1 3.23Å; W10-Y218 HydrophobicContact CZ3-CE1 3.23Å; W10-Y218 HydrophobicContact CZ3-CE2 4.45Å; W10-Y218 AromaticContact CZ3-CZ 3.31Å; W10-Y218 WeakPolarHBondContact CZ3-OH 3.48Å; R178-Y218 PolarHBondContact N-O 3.08Å; R178-Y218 WeakPolarHBondContact O-CB 3.48Å; V180-Y218 HydrophobicContact CB-CD2 3.54Å; V180-Y218 HydrophobicContact CB-CE2 3.55Å; V180-Y218 HydrophobicContact CG2-CD2 3.48Å; V180-Y218 VanDerWaalsContact CG2-CD2 3.48Å; V180-Y218 HydrophobicContact CG2-CE2 3.96Å; V180-Y218 HydrophobicContact CG2-CG 4.08Å; Y216-Y218 VanDerWaalsContact CB-CE2 3.41Å; Y216-Y218 WeakPolarHBondContact CB-OH 3.36Å; Y216-Y218 WeakPolarHBondContact CD2-OH 3.46Å; Y218-S230 WeakPolarHBondContact CA-O 3.38Å; Y218-M231 HydrophobicContact CD1-CB 3.83Å; Y218-M231 HydrophobicContact CE1-CB 3.82Å; Y218-M231 HydrophobicContact CE1-SD 4.26Å |
| 219 | F | 62.3 | Low | 66.7 | Low | 12 Ų | 12 | 60.7 Ų | 60.7 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.3 | 176.5 | -62.2 | -67.2 | 0 | 0 | 0 | 106.6 | V167 F169 L175 V177 V217 M229 S230 V232 | V167-F219 HydrophobicContact CB-CZ 3.93Å; V167-F219 HydrophobicContact CG1-CE1 4.5Å; V167-F219 HydrophobicContact CG1-CE2 3.73Å; V167-F219 HydrophobicContact CG1-CZ 3.34Å; F169-F219 HydrophobicContact CB-CD1 3.92Å; F169-F219 HydrophobicContact CB-CE1 3.93Å; F169-F219 HydrophobicContact CB-CG 4.36Å; F169-F219 HydrophobicContact CB-CZ 4.36Å; F169-F219 AromaticContact CD1-CD1 3.76Å; F169-F219 HydrophobicContact CD1-CD1 3.76Å; F169-F219 AromaticContact CD1-CE1 3.14Å; F169-F219 HydrophobicContact CD1-CE1 3.14Å; F169-F219 AromaticContact CD1-CZ 3.85Å; F169-F219 HydrophobicContact CD1-CZ 3.85Å; F169-F219 HydrophobicContact CE1-CD1 4.42Å; F169-F219 AromaticContact CE1-CE1 3.77Å; F169-F219 HydrophobicContact CE1-CE1 3.77Å; F169-F219 AromaticContact CG-CD1 3.86Å; F169-F219 HydrophobicContact CG-CD1 3.86Å; F169-F219 AromaticContact CG-CE1 3.71Å; F169-F219 HydrophobicContact CG-CE1 3.71Å; F169-F219 HydrophobicContact CG-CZ 4.48Å; L175-F219 HydrophobicContact CD2-CB 3.8Å; L175-F219 HydrophobicContact CD2-CD1 3.47Å; L175-F219 VanDerWaalsContact CD2-CD1 3.47Å; L175-F219 HydrophobicContact CD2-CG 4.05Å; V177-F219 HydrophobicContact CG1-CD1 4.28Å; V177-F219 HydrophobicContact CG1-CE1 3.95Å; V177-F219 HydrophobicContact CG2-CD1 3.96Å; V177-F219 HydrophobicContact CG2-CE1 3.97Å; V217-F219 HydrophobicContact CB-CE2 4.34Å; V217-F219 HydrophobicContact CB-CZ 4.19Å; V217-F219 HydrophobicContact CG1-CE1 3.91Å; V217-F219 HydrophobicContact CG1-CE2 3.95Å; V217-F219 HydrophobicContact CG1-CZ 3.42Å; V217-F219 VanDerWaalsContact CG1-CZ 3.42Å; F219-M229 CarbonylContact O-C 3.59Å; F219-M229 WeakPolarHBondContact O-CA 3.31Å; F219-M229 WeakPolarHBondContact O-CG 3.33Å; F219-S230 PolarHBondContact N-O 2.73Å; F219-S230 PolarHBondContact O-N 2.88Å; F219-V232 HydrophobicContact CE2-CB 4.47Å; F219-V232 HydrophobicContact CE2-CG2 4Å |
| 220 | H | 60.1 | Low | 65 | Low | 47 Ų | 47 | 57.9 Ų | 57.9 | 22% | 0.218 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 151.1 | 169.8 | 73.9 | 89.8 | 0 | 0 | 0 | 112.4 | L176 R178 W228 M229 | L176-H220 PolarHBondContact N-O 3.13Å; L176-H220 PolarHBondContact O-CD2 2.63Å; L176-H220 VanDerWaalsContact O-CD2 3.29Å; L176-H220 PolarHBondContact O-N 3.12Å; L176-H220 VanDerWaalsContact O-N 3.17Å; R178-H220 WeakPolarHBondContact CB-NE2 3.35Å; H220-W228 CarbonylContact C-O 3.56Å; H220-W228 WeakPolarHBondContact CA-O 3.29Å; H220-M229 HydrophobicContact CB-CE 4.39Å |
| 221 | T | 56.6 | Low | 63.5 | Low | 13 Ų | 13 | 59.1 Ų | 59.1 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 155.3 | 166.8 | 63.4 | 0 | 0 | 0 | 0 | 109.7 | R223 A227 W228 | T221-R223 VanDerWaalsContact C-N 3.26Å; T221-R223 PolarHBondContact O-N 2.84Å; T221-A227 VanDerWaalsContact OG1-CA 3.26Å; T221-A227 WeakPolarHBondContact OG1-CA 3.42Å; T221-W228 HydrophobicContact CG2-CB 4.02Å; T221-W228 HydrophobicContact CG2-CG 4.38Å; T221-W228 PolarHBondContact N-O 2.88Å; T221-W228 PolarHBondContact OG1-N 3.24Å |
| 222 | N | 56.2 | Low | 62.3 | Low | 98 Ų | 98 | 57.8 Ų | 57.8 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | trans | -90 | 20.4 | 178.1 | 64.5 | -8.5 | 0 | 0 | 0 | 113.1 | L176 | L176-N222 HydrophobicContact CD1-CB 3.72Å; L176-N222 HydrophobicContact CG-CB 4.36Å | ||
| 223 | R | 52.6 | Low | 61.3 | Low | 119 Ų | 119 | 51.2 Ų | 51.2 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | trans | -89.4 | 134.4 | -174.3 | -61 | -178.1 | -179.1 | -178.2 | -0.4 | 110.2 | D174 T221 V225 A227 | D174-R223 IonicContact OD2-CZ 2.65Å; D174-R223 IonicContact OD2-NE 2.97Å; D174-R223 IonicContact OD2-NH2 3.77Å; D174-R223 PolarHBondContact OD2-NH2 3.04Å; D174-R223 VanDerWaalsContact OD2-NH2 3.13Å; T221-R223 VanDerWaalsContact C-N 3.26Å; T221-R223 PolarHBondContact O-N 2.84Å; R223-V225 VanDerWaalsContact C-N 3.31Å; R223-A227 VanDerWaalsContact O-CB 3.29Å; R223-A227 WeakPolarHBondContact O-CB 3.45Å | ||
| 224 | E | 46.3 | Very low | 61 | Low | 202 Ų | 202 | 51.1 Ų | 51.1 | 94% | 0.944 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -69.3 | -30.5 | 173.5 | -67.1 | -173.3 | 164.8 | 0 | 0 | 112.4 | ||
| 225 | V | 39.5 | Very low | 61.1 | Low | 133 Ų | 133 | 49.4 Ų | 49.4 | 81% | 0.806 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -125.9 | 127.6 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | R223 | R223-V225 VanDerWaalsContact C-N 3.31Š|
| 226 | G | 38.8 | Very low | 61.9 | Low | 23 Ų | 23 | 49.4 Ų | 49.4 | 24% | 0.237 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 68.2 | 43.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111 | W228 | G226-W228 PolarHBondContact O-NE1 3.2Š|
| 227 | A | 46.9 | Very low | 63.1 | Low | 19 Ų | 19 | 49 Ų | 49 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | trans | -65.4 | 136.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | T221 R223 | T221-A227 VanDerWaalsContact OG1-CA 3.26Å; T221-A227 WeakPolarHBondContact OG1-CA 3.42Å; R223-A227 VanDerWaalsContact O-CB 3.29Å; R223-A227 WeakPolarHBondContact O-CB 3.45Å | ||
| 228 | W | 49.2 | Very low | 64.3 | Low | 34 Ų | 34 | 49.1 Ų | 49.1 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | trans | -115.2 | 140.8 | 176.5 | -63.2 | 52.1 | 0 | 0 | 0 | 106.8 | Y132 S134 F172 H220 T221 G226 | Y132-W228 HydrophobicContact CD1-CD2 4.09Å; Y132-W228 AromaticContact CD1-CE2 3.63Å; Y132-W228 AromaticContact CD1-CZ2 3.89Å; Y132-W228 HydrophobicContact CD1-CZ2 3.89Å; Y132-W228 AromaticContact CD1-NE1 3.8Å; Y132-W228 HydrophobicContact CE1-CD2 4.22Å; Y132-W228 AromaticContact CE1-CE2 3.34Å; Y132-W228 AromaticContact CE1-CH2 3.92Å; Y132-W228 HydrophobicContact CE1-CH2 3.92Å; Y132-W228 AromaticContact CE1-CZ2 3.17Å; Y132-W228 HydrophobicContact CE1-CZ2 3.17Å; Y132-W228 AromaticContact CE1-NE1 3.6Å; Y132-W228 AromaticContact CZ-CZ2 3.99Å; S134-W228 VanDerWaalsContact CB-CH2 3.44Å; S134-W228 WeakPolarHBondContact OG-CH2 3.32Å; S134-W228 WeakPolarHBondContact OG-CZ3 3.24Å; F172-W228 HydrophobicContact CZ-CZ3 4.42Å; H220-W228 CarbonylContact C-O 3.56Å; H220-W228 WeakPolarHBondContact CA-O 3.29Å; T221-W228 HydrophobicContact CG2-CB 4.02Å; T221-W228 HydrophobicContact CG2-CG 4.38Å; T221-W228 PolarHBondContact N-O 2.88Å; T221-W228 PolarHBondContact OG1-N 3.24Å; G226-W228 PolarHBondContact O-NE1 3.2Å | ||
| 229 | M | 54.7 | Low | 65.8 | Low | 54 Ų | 54 | 51.5 Ų | 51.5 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.8 | 168.1 | -170.4 | -178.6 | -69.9 | 0 | 0 | 110.1 | F42 F219 H220 | F42-M229 HydrophobicContact CB-CB 4.12Å; F42-M229 VanDerWaalsContact O-O 3.14Å; F219-M229 CarbonylContact O-C 3.59Å; F219-M229 WeakPolarHBondContact O-CA 3.31Å; F219-M229 WeakPolarHBondContact O-CG 3.33Å; H220-M229 HydrophobicContact CB-CE 4.39Å |
| 230 | S | 59.4 | Low | 67.5 | Low | 50 Ų | 50 | 52.8 Ų | 52.8 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 156.4 | 170.5 | -169.5 | 0 | 0 | 0 | 0 | 109.5 | Y218 F219 | Y218-S230 WeakPolarHBondContact CA-O 3.38Å; F219-S230 PolarHBondContact N-O 2.73Å; F219-S230 PolarHBondContact O-N 2.88Å |
| 231 | M | 63.6 | Low | 69.3 | Low | 85 Ų | 85 | 53 Ų | 53 | 42% | 0.419 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148 | 176.7 | 67.3 | 176.8 | 172.6 | 0 | 0 | 111 | Y216 V217 Y218 | Y216-M231 HydrophobicContact CD1-SD 4.39Å; Y216-M231 HydrophobicContact CE1-SD 4.49Å; V217-M231 WeakPolarHBondContact O-CA 3.45Å; Y218-M231 HydrophobicContact CD1-CB 3.83Å; Y218-M231 HydrophobicContact CE1-CB 3.82Å; Y218-M231 HydrophobicContact CE1-SD 4.26Å |
| 232 | V | 70.4 | Confident | 71.2 | Confident | 23 Ų | 23 | 57 Ų | 57 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.6 | 173.9 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | L150 V167 Y216 V217 F219 | L150-V232 HydrophobicContact CB-CG1 4.43Å; L150-V232 HydrophobicContact CD1-CG1 3.73Å; L150-V232 HydrophobicContact CG-CG1 3.73Å; V167-V232 HydrophobicContact CG1-CB 4.24Å; V167-V232 HydrophobicContact CG1-CG1 4.35Å; V167-V232 HydrophobicContact CG1-CG2 4.22Å; Y216-V232 WeakPolarHBondContact CA-O 3.41Å; V217-V232 PolarHBondContact N-O 2.71Å; V217-V232 PolarHBondContact O-N 3.08Å; F219-V232 HydrophobicContact CE2-CB 4.47Å; F219-V232 HydrophobicContact CE2-CG2 4Å |
| 233 | L | 73 | Confident | 73.1 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 17% | 0.173 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133 | 169.1 | 178.5 | 62.2 | 0 | 0 | 0 | 108.6 | L148 S149 L150 W214 Y216 | L148-L233 PolarHBondContact O-N 2.94Å; S149-L233 CarbonylContact C-O 3.56Å; S149-L233 WeakPolarHBondContact CA-O 3.48Å; L150-L233 PolarHBondContact N-O 2.91Å; W214-L233 HydrophobicContact CB-CD1 4.06Å; W214-L233 HydrophobicContact CG-CD1 4.32Å; Y216-L233 HydrophobicContact CD1-CB 4Å; Y216-L233 HydrophobicContact CD1-CD1 4.15Å; Y216-L233 HydrophobicContact CE1-CB 3.69Å; Y216-L233 HydrophobicContact CE1-CD1 3.79Å; Y216-L233 HydrophobicContact CE1-CG 4.26Å; Y216-L233 HydrophobicContact CE2-CD1 4.24Å |
| 234 | V | 81.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115 | 174 | -178 | 0 | 0 | 0 | 0 | 107.6 | L150 M152 V167 W214 F215 V217 V236 | L150-V234 HydrophobicContact CB-CG2 4.46Å; L150-V234 CarbonylContact O-C 3.54Å; L150-V234 WeakPolarHBondContact O-CA 3.15Å; M152-V234 HydrophobicContact CE-CG1 3.79Å; M152-V234 HydrophobicContact CE-CG2 4.41Å; M152-V234 HydrophobicContact CG-CG1 3.92Å; M152-V234 HydrophobicContact SD-CG1 3.57Å; M152-V234 VanDerWaalsContact SD-CG1 3.57Å; V167-V234 HydrophobicContact CG2-CG2 4.06Å; W214-V234 CarbonylContact C-O 3.44Å; W214-V234 WeakPolarHBondContact CA-O 3.18Å; W214-V234 WeakPolarHBondContact CB-O 3.3Å; F215-V234 HydrophobicContact CD1-CB 4.33Å; F215-V234 HydrophobicContact CD2-CB 4.1Å; F215-V234 HydrophobicContact CD2-CG2 4.37Å; F215-V234 HydrophobicContact CE1-CB 3.99Å; F215-V234 HydrophobicContact CE1-CG1 3.77Å; F215-V234 HydrophobicContact CE2-CB 3.74Å; F215-V234 HydrophobicContact CE2-CG1 4.06Å; F215-V234 HydrophobicContact CE2-CG2 3.88Å; F215-V234 HydrophobicContact CG-CB 4.37Å; F215-V234 HydrophobicContact CZ-CB 3.67Å; F215-V234 HydrophobicContact CZ-CG1 3.49Å; F215-V234 VanDerWaalsContact CZ-CG1 3.49Å; F215-V234 HydrophobicContact CZ-CG2 4.17Å; F215-V234 PolarHBondContact N-O 3.42Å; F215-V234 PolarHBondContact O-N 2.72Å; V217-V234 HydrophobicContact CG2-CG2 3.94Å; V234-V236 HydrophobicContact CG1-CG2 4.06Å |
| 235 | S | 86.2 | Confident | 77.5 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.1 | 173.6 | -63.9 | 0 | 0 | 0 | 0 | 108.9 | L150 E151 M152 | L150-S235 PolarHBondContact O-N 3.38Å; E151-S235 CarbonylContact C-O 3.45Å; E151-S235 WeakPolarHBondContact CA-O 3.1Å; M152-S235 PolarHBondContact N-O 2.86Å |
| 236 | V | 92.6 | Very high | 80.1 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.8 | -178.2 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | M152 V154 F164 R212 F213 F215 V234 | M152-V236 HydrophobicContact CB-CG2 4.35Å; M152-V236 WeakPolarHBondContact O-CA 3.05Å; V154-V236 HydrophobicContact CG1-CG1 3.77Å; F164-V236 HydrophobicContact CD2-CG1 4.45Å; F164-V236 HydrophobicContact CE2-CG1 3.88Å; F164-V236 HydrophobicContact CE2-CG2 3.91Å; R212-V236 WeakPolarHBondContact CA-O 3.26Å; F213-V236 HydrophobicContact CD1-CB 4.43Å; F213-V236 HydrophobicContact CD2-CB 3.87Å; F213-V236 HydrophobicContact CD2-CG2 4.03Å; F213-V236 HydrophobicContact CE1-CB 4.09Å; F213-V236 HydrophobicContact CE1-CG1 3.94Å; F213-V236 HydrophobicContact CE2-CB 3.47Å; F213-V236 VanDerWaalsContact CE2-CB 3.47Å; F213-V236 HydrophobicContact CE2-CG1 3.87Å; F213-V236 HydrophobicContact CE2-CG2 3.5Å; F213-V236 VanDerWaalsContact CE2-CG2 3.5Å; F213-V236 HydrophobicContact CG-CB 4.34Å; F213-V236 HydrophobicContact CZ-CB 3.61Å; F213-V236 HydrophobicContact CZ-CG1 3.48Å; F213-V236 VanDerWaalsContact CZ-CG1 3.48Å; F213-V236 HydrophobicContact CZ-CG2 4.03Å; F213-V236 PolarHBondContact N-O 2.78Å; F213-V236 VanDerWaalsContact N-O 3.11Å; F213-V236 PolarHBondContact O-N 2.84Å; F215-V236 HydrophobicContact CD1-CG2 4.43Å; F215-V236 HydrophobicContact CE1-CG2 3.67Å; V234-V236 HydrophobicContact CG1-CG2 4.06Å |
| 237 | T | 96.6 | Very high | 82.6 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123 | 168.2 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | M152 R153 V154 | M152-T237 PolarHBondContact O-N 2.82Å; R153-T237 VanDerWaalsContact CA-O 3.32Å; R153-T237 WeakPolarHBondContact CA-O 3.25Å; V154-T237 PolarHBondContact N-O 3.43Å; V154-T237 VanDerWaalsContact N-O 3.07Å |
| 238 | V | 97.6 | Very high | 84.7 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 130.1 | 171.3 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | V154 E156 L205 R207 R210 S211 F213 | V154-V238 HydrophobicContact CG1-CG2 4.46Å; V154-V238 CarbonylContact O-C 3.29Å; V154-V238 VanDerWaalsContact O-CA 3.27Å; V154-V238 WeakPolarHBondContact O-CA 3.15Å; E156-V238 HydrophobicContact CB-CG1 3.79Å; L205-V238 HydrophobicContact CB-CG1 4.36Å; L205-V238 HydrophobicContact CD1-CG2 4.48Å; R207-V238 HydrophobicContact CB-CB 4.28Å; R207-V238 HydrophobicContact CB-CG1 3.8Å; R207-V238 HydrophobicContact CG-CB 4.14Å; R207-V238 HydrophobicContact CG-CG1 4.14Å; R210-V238 WeakPolarHBondContact O-CG2 3.48Å; S211-V238 PolarHBondContact O-N 2.74Å; F213-V238 HydrophobicContact CD1-CG2 4.24Å; F213-V238 HydrophobicContact CE1-CG2 3.65Å |
| 239 | L | 97.9 | Very high | 86.3 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.2 | 178.4 | -54 | 175.4 | 0 | 0 | 0 | 109.5 | R153 V154 E156 | R153-L239 HydrophobicContact CB-CD1 4.36Å; R153-L239 HydrophobicContact CB-CD2 4.42Å; R153-L239 HydrophobicContact CB-CG 4.42Å; V154-L239 PolarHBondContact O-N 3.11Å; E156-L239 PolarHBondContact N-O 2.88Å; E156-L239 VanDerWaalsContact N-O 3.11Å |
| 240 | D | 97.5 | Very high | 87.4 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 143.1 | 178.2 | -166.5 | 86.5 | 0 | 0 | 0 | 113.8 | E156 R207 E277 | E156-D240 WeakPolarHBondContact OE1-CA 3.42Å; R207-D240 VanDerWaalsContact CD-OD1 3.23Å; R207-D240 WeakPolarHBondContact CD-OD1 3.36Å; R207-D240 IonicContact CZ-OD1 3.73Å; R207-D240 IonicContact NE-OD1 3.81Å; R207-D240 PolarHBondContact NE-OD1 3.05Å; R207-D240 IonicContact NH2-OD1 2.91Å; D240-E277 HydrophobicContact CB-CB 3.7Å; D240-E277 VanDerWaalsContact CG-CB 3.41Å; D240-E277 VanDerWaalsContact CG-N 3.25Å; D240-E277 WeakPolarHBondContact OD1-CB 3.16Å; D240-E277 PolarHBondContact OD1-N 3.04Å; D240-E277 PolarHBondContact OD2-N 2.81Å |
| 241 | V | 97.3 | Very high | 87.9 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 30% | 0.303 | 36% | 0.364 | S | S | . | . | trans | -135.2 | 135.6 | 166.8 | 175 | 0 | 0 | 0 | 0 | 107 | S155 E156 A157 D243 | S155-V241 WeakPolarHBondContact OG-CG2 3.42Å; E156-V241 HydrophobicContact CG-CB 3.98Å; E156-V241 HydrophobicContact CG-CG2 4.11Å; E156-V241 PolarHBondContact OE1-N 2.7Å; A157-V241 HydrophobicContact CB-CB 4.34Å; A157-V241 HydrophobicContact CB-CG1 4.25Å; A157-V241 HydrophobicContact CB-CG2 3.78Å; V241-D243 VanDerWaalsContact C-N 3.34Å; V241-D243 PolarHBondContact O-N 2.86Å | ||
| 242 | N | 96.7 | Very high | 88.7 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | trans | -67.8 | 91.8 | 174.4 | -178.2 | -96.3 | 0 | 0 | 0 | 110.9 | D276 A280 | N242-D276 WeakPolarHBondContact CA-OD2 3.31Å; N242-D276 PolarHBondContact ND2-OD2 2.85Å; N242-A280 HydrophobicContact CB-CB 3.88Å; N242-A280 PolarHBondContact ND2-O 2.71Å; N242-A280 VanDerWaalsContact ND2-O 3.15Å | ||
| 243 | D | 96.7 | Very high | 89.3 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | trans | -122.8 | -6.5 | 179.1 | 78.3 | -22.7 | 0 | 0 | 0 | 112.9 | V241 | V241-D243 VanDerWaalsContact C-N 3.34Å; V241-D243 PolarHBondContact O-N 2.86Å | ||
| 244 | N | 95.9 | Very high | 90 | Very high | 56 Ų | 56 | 78.6 Ų | 78.6 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | trans | -93.3 | 159.1 | 169.4 | -61.6 | -83.6 | 0 | 0 | 0 | 111.3 | E208 P275 D276 | E208-N244 WeakPolarHBondContact CG-ND2 3.49Å; E208-N244 PolarHBondContact OE2-ND2 2.91Å; E208-N244 VanDerWaalsContact OE2-ND2 3.08Å; N244-P275 HydrophobicContact CB-CG 3.59Å; N244-P275 VanDerWaalsContact CG-CG 3.43Å; N244-D276 VanDerWaalsContact CB-OD1 3.3Å; N244-D276 WeakPolarHBondContact CB-OD1 3.37Å; N244-D276 PolarHBondContact N-OD1 3.15Å; N244-D276 PolarHBondContact ND2-OD1 2.8Å | ||
| 245 | A | 94.4 | Very high | 90.3 | Very high | 75 Ų | 75 | 83 Ų | 83 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | trans | -118.3 | 148.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N247 | A245-N247 PolarHBondContact O-N 2.82Š| ||
| 246 | P | 94.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 86.3 Ų | 86.3 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | trans | -58.7 | 127.2 | 178.9 | -25.5 | 34.6 | 0 | 0 | 0 | 111.6 | A272 D274 V283 | P246-A272 HydrophobicContact CB-CB 4.13Å; P246-D274 HydrophobicContact CB-CB 4.4Å; P246-D274 WeakPolarHBondContact CD-OD2 3.21Å; P246-D274 HydrophobicContact CG-CB 4.15Å; P246-D274 WeakPolarHBondContact CG-OD2 3.41Å; P246-D274 VanDerWaalsContact N-OD2 3.16Å; P246-V283 HydrophobicContact CB-CB 4.5Å; P246-V283 HydrophobicContact CB-CG1 3.91Å; P246-V283 HydrophobicContact CB-CG2 3.8Å; P246-V283 HydrophobicContact CG-CG1 4.32Å; P246-V283 HydrophobicContact CG-CG2 4.02Å | ||
| 247 | N | 92.8 | Very high | 90.6 | Very high | 99 Ų | 99 | 89.5 Ų | 89.5 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | B | Isolated β-bridge | trans | -118.5 | 130.8 | -178.2 | -176 | 5.2 | 0 | 0 | 0 | 111.5 | A245 G249 A272 S273 | A245-N247 PolarHBondContact O-N 2.82Å; N247-G249 VanDerWaalsContact C-N 3.28Å; N247-G249 PolarHBondContact O-N 2.9Å; N247-G249 PolarHBondContact OD1-N 3.14Å; N247-A272 CarbonylContact O-C 3.52Å; N247-A272 WeakPolarHBondContact O-CA 3.14Å; N247-A272 WeakPolarHBondContact O-CB 3.44Å; N247-S273 PolarHBondContact N-O 3.37Å; N247-S273 PolarHBondContact O-N 3.45Å |
| 248 | F | 90 | Very high | 90.5 | Very high | 108 Ų | 108 | 90.5 Ų | 90.5 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | trans | -77.5 | -6 | 175.8 | -70.4 | -78.2 | 0 | 0 | 0 | 114.5 | G250 L270 A272 Y285 | F248-G250 VanDerWaalsContact C-N 3.34Å; F248-G250 PolarHBondContact O-N 3.23Å; F248-L270 HydrophobicContact CD1-CB 4.28Å; F248-L270 HydrophobicContact CE1-CB 3.88Å; F248-L270 HydrophobicContact CE1-CD1 4.32Å; F248-A272 HydrophobicContact CD1-CB 3.72Å; F248-A272 HydrophobicContact CD2-CB 4.31Å; F248-A272 HydrophobicContact CE1-CB 3.81Å; F248-A272 HydrophobicContact CE2-CB 4.37Å; F248-A272 HydrophobicContact CG-CB 3.99Å; F248-A272 HydrophobicContact CZ-CB 4.14Å; F248-Y285 AromaticContact CE1-CD1 3.92Å; F248-Y285 HydrophobicContact CE1-CD1 3.92Å; F248-Y285 AromaticContact CE1-CE1 3.5Å; F248-Y285 HydrophobicContact CE1-CE1 3.5Å; F248-Y285 AromaticContact CZ-CD1 3.92Å; F248-Y285 HydrophobicContact CZ-CD1 3.92Å; F248-Y285 AromaticContact CZ-CE1 3.85Å; F248-Y285 HydrophobicContact CZ-CE1 3.85Å | ||
| 249 | G | 83.2 | Confident | 90.3 | Very high | 69 Ų | 69 | 100.1 Ų | 100.1 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 76.4 | 11 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N247 | N247-G249 VanDerWaalsContact C-N 3.28Å; N247-G249 PolarHBondContact O-N 2.9Å; N247-G249 PolarHBondContact OD1-N 3.14Å |
| 250 | G | 76.5 | Confident | 90.2 | Very high | 56 Ų | 56 | 103.8 Ų | 103.8 | 58% | 0.577 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -169.1 | 163.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F248 | F248-G250 VanDerWaalsContact C-N 3.34Å; F248-G250 PolarHBondContact O-N 3.23Å |
| 251 | E | 70.3 | Confident | 90.1 | Very high | 188 Ų | 188 | 103.5 Ų | 103.5 | 88% | 0.879 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -68.9 | 160.4 | 173.8 | -65.1 | -171.4 | 163.3 | 0 | 0 | 111.8 | L253 | E251-L253 PolarHBondContact O-N 2.92Š|
| 252 | K | 81.5 | Confident | 90 | Very high | 201 Ų | 201 | 105.6 Ų | 105.6 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | trans | -24.2 | 114.1 | -177.8 | -63.8 | 178.1 | -178.1 | 177.5 | 0 | 114.1 | K254 | K252-K254 PolarHBondContact O-N 2.74Š| ||
| 253 | L | 83.3 | Confident | 89.8 | Confident | 106 Ų | 106 | 108.6 Ų | 108.6 | 56% | 0.555 | 63% | 0.627 | S | S | * | * | trans | -65.7 | 122.9 | 172 | -108.9 | 89.7 | 0 | 0 | 0 | 110.7 | E251 L255 V268 L270 | E251-L253 PolarHBondContact O-N 2.92Å; L253-L255 HydrophobicContact CB-CG 4.48Å; L253-L255 HydrophobicContact CD2-CD1 3.94Å; L253-L255 HydrophobicContact CD2-CD2 3.89Å; L253-L255 HydrophobicContact CD2-CG 4.02Å; L253-V268 HydrophobicContact CD2-CG2 3.73Å; L253-L270 HydrophobicContact CD2-CD2 4.1Å | ||
| 254 | K | 87.6 | Confident | 89.6 | Confident | 200 Ų | 200 | 107.6 Ų | 107.6 | 87% | 0.87 | 64% | 0.64 | S | S | * | * | trans | -101.2 | 122.6 | 164.6 | -68.8 | -177 | -178.7 | 177.3 | 0 | 108.4 | K252 | K252-K254 PolarHBondContact O-N 2.74Š| ||
| 255 | L | 88.1 | Confident | 89.5 | Confident | 93 Ų | 93 | 111.4 Ų | 111.4 | 49% | 0.487 | 65% | 0.652 | S | S | . | * | trans | -124.1 | 147.2 | -177.2 | -65.5 | 167.6 | 0 | 0 | 0 | 109.1 | L253 I267 V268 | L253-L255 HydrophobicContact CB-CG 4.48Å; L253-L255 HydrophobicContact CD2-CD1 3.94Å; L253-L255 HydrophobicContact CD2-CD2 3.89Å; L253-L255 HydrophobicContact CD2-CG 4.02Å; L255-I267 HydrophobicContact CB-CG2 4.49Å; L255-I267 HydrophobicContact CD1-CG2 4.03Å; L255-V268 HydrophobicContact CD1-CB 3.64Å; L255-V268 HydrophobicContact CD1-CG1 3.6Å; L255-V268 HydrophobicContact CD1-CG2 4.05Å; L255-V268 HydrophobicContact CD2-CB 4.39Å; L255-V268 HydrophobicContact CD2-CG2 4.35Å | ||
| 256 | A | 90.8 | Very high | 89.4 | Confident | 104 Ų | 104 | 117.5 Ų | 117.5 | 86% | 0.86 | 66% | 0.659 | S | S | * | * | trans | -115.1 | 137.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 257 | V | 92.4 | Very high | 89.3 | Confident | 69 Ų | 69 | 117.3 Ų | 117.3 | 42% | 0.418 | 65% | 0.653 | S | S | . | * | trans | -132.1 | 134.9 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 106.7 | A261 Y265 I267 | V257-A261 HydrophobicContact CG1-CB 3.81Å; V257-Y265 HydrophobicContact CG1-CD1 4.36Å; V257-I267 HydrophobicContact CG2-CB 4.31Å; V257-I267 HydrophobicContact CG2-CD1 4.14Å; V257-I267 HydrophobicContact CG2-CG1 3.88Å; V257-I267 HydrophobicContact CG2-CG2 3.64Å | ||
| 258 | A | 94.5 | Very high | 89.2 | Confident | 61 Ų | 61 | 115.3 Ų | 115.3 | 50% | 0.504 | 65% | 0.645 | S | S | . | * | trans | -68.3 | 143.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D260 A261 | A258-D260 WeakPolarHBondContact CB-OD1 3.22Å; A258-D260 PolarHBondContact O-N 2.99Å; A258-A261 VanDerWaalsContact O-CB 3.26Å; A258-A261 WeakPolarHBondContact O-CB 3.44Å; A258-A261 PolarHBondContact O-N 2.9Å; A258-A261 VanDerWaalsContact O-N 3.14Å | ||
| 259 | E | 94.3 | Very high | 89.2 | Confident | 204 Ų | 204 | 118.5 Ų | 118.5 | 95% | 0.953 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -23 | -177.5 | 65.7 | -177.6 | 164.1 | 0 | 0 | 113.4 | ||
| 260 | D | 95.6 | Very high | 89.4 | Confident | 135 Ų | 135 | 119 Ų | 119 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 8.1 | 178.5 | 67.2 | -24.5 | 0 | 0 | 0 | 113.4 | A258 | A258-D260 WeakPolarHBondContact CB-OD1 3.22Å; A258-D260 PolarHBondContact O-N 2.99Å |
| 261 | A | 95 | Very high | 90 | Very high | 34 Ų | 34 | 123.1 Ų | 123.1 | 28% | 0.281 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 131.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V257 A258 Y265 | V257-A261 HydrophobicContact CG1-CB 3.81Å; A258-A261 VanDerWaalsContact O-CB 3.26Å; A258-A261 WeakPolarHBondContact O-CB 3.44Å; A258-A261 PolarHBondContact O-N 2.9Å; A258-A261 VanDerWaalsContact O-N 3.14Å; A261-Y265 HydrophobicContact CB-CD1 4.29Å; A261-Y265 HydrophobicContact CB-CG 4.11Å |
| 262 | P | 95.7 | Very high | 91 | Very high | 94 Ų | 94 | 114.5 Ų | 114.5 | 61% | 0.61 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 157.4 | -176.8 | 28.9 | -35.5 | 0 | 0 | 0 | 112.7 | G264 Y265 | P262-G264 PolarHBondContact O-N 3.34Å; P262-Y265 WeakPolarHBondContact O-CB 3.49Å; P262-Y265 PolarHBondContact O-N 3.32Å |
| 263 | V | 93 | Very high | 91.6 | Very high | 161 Ų | 161 | 108.6 Ų | 108.6 | 98% | 0.976 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 130.6 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 264 | G | 91.6 | Very high | 92.2 | Very high | 79 Ų | 79 | 104.4 Ų | 104.4 | 81% | 0.814 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.9 | 1.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P262 R266 | P262-G264 PolarHBondContact O-N 3.34Å; G264-R266 PolarHBondContact O-N 2.74Å |
| 265 | Y | 93.6 | Very high | 92.5 | Very high | 136 Ų | 136 | 98.1 Ų | 98.1 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | trans | -57.2 | 128.4 | 172.1 | -176.8 | -95.6 | 0 | 0 | 0 | 111.5 | V257 A261 P262 I267 | V257-Y265 HydrophobicContact CG1-CD1 4.36Å; A261-Y265 HydrophobicContact CB-CD1 4.29Å; A261-Y265 HydrophobicContact CB-CG 4.11Å; P262-Y265 WeakPolarHBondContact O-CB 3.49Å; P262-Y265 PolarHBondContact O-N 3.32Å; Y265-I267 HydrophobicContact CD1-CG1 4.27Å; Y265-I267 PolarHBondContact O-N 2.94Å | ||
| 266 | R | 93.1 | Very high | 93 | Very high | 203 Ų | 203 | 94 Ų | 94 | 77% | 0.766 | 53% | 0.525 | S | S | * | . | trans | -78.1 | 104.3 | 178.8 | -174.7 | -178.7 | 73 | 175.1 | 2.1 | 110.1 | G264 | G264-R266 PolarHBondContact O-N 2.74Š| ||
| 267 | I | 92.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 94.7 Ų | 94.7 | 33% | 0.328 | 51% | 0.51 | S | S | . | . | trans | -72.3 | -52.1 | 179.9 | -59.2 | 173 | 0 | 0 | 0 | 111.6 | L255 V257 Y265 F294 | L255-I267 HydrophobicContact CB-CG2 4.49Å; L255-I267 HydrophobicContact CD1-CG2 4.03Å; V257-I267 HydrophobicContact CG2-CB 4.31Å; V257-I267 HydrophobicContact CG2-CD1 4.14Å; V257-I267 HydrophobicContact CG2-CG1 3.88Å; V257-I267 HydrophobicContact CG2-CG2 3.64Å; Y265-I267 HydrophobicContact CD1-CG1 4.27Å; Y265-I267 PolarHBondContact O-N 2.94Å; I267-F294 HydrophobicContact CD1-CD1 3.48Å; I267-F294 VanDerWaalsContact CD1-CD1 3.48Å; I267-F294 HydrophobicContact CD1-CE1 3.57Å | ||
| 268 | V | 90.7 | Very high | 93.2 | Very high | 57 Ų | 57 | 94 Ų | 94 | 35% | 0.345 | 52% | 0.517 | S | S | . | . | trans | -156.2 | 153.6 | -175.5 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | L253 L255 L270 | L253-V268 HydrophobicContact CD2-CG2 3.73Å; L255-V268 HydrophobicContact CD1-CB 3.64Å; L255-V268 HydrophobicContact CD1-CG1 3.6Å; L255-V268 HydrophobicContact CD1-CG2 4.05Å; L255-V268 HydrophobicContact CD2-CB 4.39Å; L255-V268 HydrophobicContact CD2-CG2 4.35Å; V268-L270 HydrophobicContact CG1-CD2 4.14Å; V268-L270 HydrophobicContact CG1-CG 4.08Å; V268-L270 HydrophobicContact CG2-CD2 4.03Å | ||
| 269 | R | 89.5 | Confident | 93.1 | Very high | 175 Ų | 175 | 97.8 Ų | 97.8 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | trans | -104.3 | 114.6 | 162.7 | -177.3 | -179 | -176.9 | -176.1 | 0.7 | 107.7 | ||||
| 270 | L | 88.2 | Confident | 93 | Very high | 79 Ų | 79 | 89.4 Ų | 89.4 | 41% | 0.414 | 49% | 0.494 | S | S | . | . | trans | -91.1 | 143.6 | 172.3 | -59.6 | 174.8 | 0 | 0 | 0 | 108.9 | F248 L253 V268 | F248-L270 HydrophobicContact CD1-CB 4.28Å; F248-L270 HydrophobicContact CE1-CB 3.88Å; F248-L270 HydrophobicContact CE1-CD1 4.32Å; L253-L270 HydrophobicContact CD2-CD2 4.1Å; V268-L270 HydrophobicContact CG1-CD2 4.14Å; V268-L270 HydrophobicContact CG1-CG 4.08Å; V268-L270 HydrophobicContact CG2-CD2 4.03Å | ||
| 271 | Q | 89 | Confident | 92.9 | Very high | 142 Ų | 142 | 83.7 Ų | 83.7 | 66% | 0.664 | 47% | 0.468 | S | S | * | . | trans | -141.6 | 111.9 | 173.1 | -176.1 | 172.2 | -4.7 | 0 | 0 | 107 | ||||
| 272 | A | 91.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 86.2 Ų | 86.2 | 7% | 0.066 | 48% | 0.476 | C | S | . | . | trans | -97.6 | 149.3 | 163 | 0 | 0 | 0 | 0 | 0 | 109.1 | P246 N247 F248 V283 Y285 | P246-A272 HydrophobicContact CB-CB 4.13Å; N247-A272 CarbonylContact O-C 3.52Å; N247-A272 WeakPolarHBondContact O-CA 3.14Å; N247-A272 WeakPolarHBondContact O-CB 3.44Å; F248-A272 HydrophobicContact CD1-CB 3.72Å; F248-A272 HydrophobicContact CD2-CB 4.31Å; F248-A272 HydrophobicContact CE1-CB 3.81Å; F248-A272 HydrophobicContact CE2-CB 4.37Å; F248-A272 HydrophobicContact CG-CB 3.99Å; F248-A272 HydrophobicContact CZ-CB 4.14Å; A272-V283 HydrophobicContact CB-CG1 4.03Å; A272-Y285 HydrophobicContact CB-CE1 4.07Å; A272-Y285 PolarHBondContact N-OH 2.82Å; A272-Y285 PolarHBondContact O-OH 2.8Å | ||
| 273 | S | 93 | Very high | 92.7 | Very high | 77 Ų | 77 | 83 Ų | 83 | 54% | 0.538 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -119.9 | 140.2 | 175.5 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | N247 | N247-S273 PolarHBondContact N-O 3.37Å; N247-S273 PolarHBondContact O-N 3.45Å |
| 274 | D | 95.7 | Very high | 92.6 | Very high | 18 Ų | 18 | 79 Ų | 79 | 10% | 0.096 | 43% | 0.433 | C | S | . | . | trans | -123 | 121.7 | 170 | -166.6 | -40.8 | 0 | 0 | 0 | 106.7 | P246 D276 V283 | P246-D274 HydrophobicContact CB-CB 4.4Å; P246-D274 WeakPolarHBondContact CD-OD2 3.21Å; P246-D274 HydrophobicContact CG-CB 4.15Å; P246-D274 WeakPolarHBondContact CG-OD2 3.41Å; P246-D274 VanDerWaalsContact N-OD2 3.16Å; D274-D276 VanDerWaalsContact C-N 3.27Å; D274-D276 PolarHBondContact O-N 3.06Å; D274-D276 PolarHBondContact OD1-N 2.89Å; D274-V283 HydrophobicContact CB-CG2 4.05Å | ||
| 275 | P | 95.6 | Very high | 92.5 | Very high | 67 Ų | 67 | 77.4 Ų | 77.4 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | trans | -77.9 | -7.7 | -172 | 35.5 | -40.3 | 0 | 0 | 0 | 114.3 | R207 E208 N244 | R207-P275 PolarHBondContact NH2-O 3.17Å; E208-P275 HydrophobicContact CB-CB 4.49Å; E208-P275 HydrophobicContact CG-CB 3.62Å; E208-P275 HydrophobicContact CG-CG 3.71Å; N244-P275 HydrophobicContact CB-CG 3.59Å; N244-P275 VanDerWaalsContact CG-CG 3.43Å | ||
| 276 | D | 97.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 80.7 Ų | 80.7 | 4% | 0.043 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -59.6 | 155.7 | 178.1 | -60.3 | -21.6 | 0 | 0 | 0 | 112.6 | N242 N244 D274 A280 G281 | N242-D276 WeakPolarHBondContact CA-OD2 3.31Å; N242-D276 PolarHBondContact ND2-OD2 2.85Å; N244-D276 VanDerWaalsContact CB-OD1 3.3Å; N244-D276 WeakPolarHBondContact CB-OD1 3.37Å; N244-D276 PolarHBondContact N-OD1 3.15Å; N244-D276 PolarHBondContact ND2-OD1 2.8Å; D274-D276 VanDerWaalsContact C-N 3.27Å; D274-D276 PolarHBondContact O-N 3.06Å; D274-D276 PolarHBondContact OD1-N 2.89Å; D276-A280 HydrophobicContact CB-CB 3.59Å; D276-G281 WeakPolarHBondContact O-CA 3.36Å |
| 277 | E | 94.8 | Very high | 92.2 | Very high | 118 Ų | 118 | 73.5 Ų | 73.5 | 55% | 0.551 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -77.8 | 135.6 | -176.6 | -165.6 | 175.7 | -173.2 | 0 | 0 | 113.6 | D240 D279 A280 | D240-E277 HydrophobicContact CB-CB 3.7Å; D240-E277 VanDerWaalsContact CG-CB 3.41Å; D240-E277 VanDerWaalsContact CG-N 3.25Å; D240-E277 WeakPolarHBondContact OD1-CB 3.16Å; D240-E277 PolarHBondContact OD1-N 3.04Å; D240-E277 PolarHBondContact OD2-N 2.81Å; E277-D279 PolarHBondContact O-N 2.87Å; E277-A280 WeakPolarHBondContact O-CB 3.06Å; E277-A280 PolarHBondContact O-N 2.62Å |
| 278 | G | 93.2 | Very high | 92 | Very high | 54 Ų | 54 | 77.4 Ų | 77.4 | 56% | 0.557 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | 66.6 | -133.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A280 G281 | G278-A280 PolarHBondContact O-N 2.64Å; G278-G281 PolarHBondContact O-N 3.37Å; G278-G281 VanDerWaalsContact O-N 3.14Å |
| 279 | D | 92.6 | Very high | 92 | Very high | 140 Ų | 140 | 78 Ų | 78 | 75% | 0.749 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.2 | -176.7 | -70 | -14.5 | 0 | 0 | 0 | 112.8 | E277 G281 L282 | E277-D279 PolarHBondContact O-N 2.87Å; D279-G281 VanDerWaalsContact C-N 3.26Å; D279-G281 PolarHBondContact O-N 3.05Å; D279-L282 HydrophobicContact CB-CD1 4.33Å; D279-L282 WeakPolarHBondContact O-CB 3.38Å; D279-L282 PolarHBondContact O-N 3.17Å; D279-L282 WeakPolarHBondContact OD1-CD1 3.35Å |
| 280 | A | 92.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 76.9 Ų | 76.9 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -62.5 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N242 D276 E277 G278 L282 | N242-A280 HydrophobicContact CB-CB 3.88Å; N242-A280 PolarHBondContact ND2-O 2.71Å; N242-A280 VanDerWaalsContact ND2-O 3.15Å; D276-A280 HydrophobicContact CB-CB 3.59Å; E277-A280 WeakPolarHBondContact O-CB 3.06Å; E277-A280 PolarHBondContact O-N 2.62Å; G278-A280 PolarHBondContact O-N 2.64Å; A280-L282 VanDerWaalsContact C-N 3.31Å; A280-L282 PolarHBondContact O-N 3.11Å |
| 281 | G | 93.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 80.2 Ų | 80.2 | 17% | 0.165 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -81.3 | -2.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D276 G278 D279 V283 | D276-G281 WeakPolarHBondContact O-CA 3.36Å; G278-G281 PolarHBondContact O-N 3.37Å; G278-G281 VanDerWaalsContact O-N 3.14Å; D279-G281 VanDerWaalsContact C-N 3.26Å; D279-G281 PolarHBondContact O-N 3.05Å; G281-V283 PolarHBondContact O-N 2.99Å |
| 282 | L | 92.8 | Very high | 91.8 | Very high | 87 Ų | 87 | 77.1 Ų | 77.1 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | trans | -78.1 | 118.3 | -176.4 | -70.9 | 179 | 0 | 0 | 0 | 112.1 | D279 A280 | D279-L282 HydrophobicContact CB-CD1 4.33Å; D279-L282 WeakPolarHBondContact O-CB 3.38Å; D279-L282 PolarHBondContact O-N 3.17Å; D279-L282 WeakPolarHBondContact OD1-CD1 3.35Å; A280-L282 VanDerWaalsContact C-N 3.31Å; A280-L282 PolarHBondContact O-N 3.11Å | ||
| 283 | V | 91.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 82.5 Ų | 82.5 | 16% | 0.158 | 46% | 0.461 | C | S | . | . | trans | -96.1 | 130 | -177.3 | -174 | 0 | 0 | 0 | 0 | 111.8 | P246 A272 D274 G281 Y285 | P246-V283 HydrophobicContact CB-CB 4.5Å; P246-V283 HydrophobicContact CB-CG1 3.91Å; P246-V283 HydrophobicContact CB-CG2 3.8Å; P246-V283 HydrophobicContact CG-CG1 4.32Å; P246-V283 HydrophobicContact CG-CG2 4.02Å; A272-V283 HydrophobicContact CB-CG1 4.03Å; D274-V283 HydrophobicContact CB-CG2 4.05Å; G281-V283 PolarHBondContact O-N 2.99Å; V283-Y285 HydrophobicContact CG1-CE1 3.89Å; V283-Y285 HydrophobicContact CG1-CE2 4.05Å | ||
| 284 | S | 91.2 | Very high | 91.6 | Very high | 76 Ų | 76 | 84.1 Ų | 84.1 | 53% | 0.531 | 46% | 0.458 | S | S | . | . | trans | -117 | 147.1 | 169.3 | 69 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 285 | Y | 90.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 91.7 Ų | 91.7 | 18% | 0.18 | 49% | 0.49 | C | S | . | . | trans | -115.7 | 142.7 | -175.6 | -52.2 | -91.7 | 0 | 0 | 0 | 111.4 | F248 A272 V283 N299 | F248-Y285 AromaticContact CE1-CD1 3.92Å; F248-Y285 HydrophobicContact CE1-CD1 3.92Å; F248-Y285 AromaticContact CE1-CE1 3.5Å; F248-Y285 HydrophobicContact CE1-CE1 3.5Å; F248-Y285 AromaticContact CZ-CD1 3.92Å; F248-Y285 HydrophobicContact CZ-CD1 3.92Å; F248-Y285 AromaticContact CZ-CE1 3.85Å; F248-Y285 HydrophobicContact CZ-CE1 3.85Å; A272-Y285 HydrophobicContact CB-CE1 4.07Å; A272-Y285 PolarHBondContact N-OH 2.82Å; A272-Y285 PolarHBondContact O-OH 2.8Å; V283-Y285 HydrophobicContact CG1-CE1 3.89Å; V283-Y285 HydrophobicContact CG1-CE2 4.05Å; Y285-N299 WeakPolarHBondContact CB-OD1 3.15Å; Y285-N299 PolarHBondContact N-OD1 3.12Å; Y285-N299 PolarHBondContact O-ND2 3.16Å; Y285-N299 PolarHBondContact O-OD1 2.73Å | ||
| 286 | R | 90.2 | Very high | 91 | Very high | 205 Ų | 205 | 91.4 Ų | 91.4 | 77% | 0.774 | 48% | 0.484 | S | S | * | . | trans | -144.4 | 150 | 172.6 | 64.4 | -177.1 | -177.8 | 125.2 | -1 | 110.7 | ||||
| 287 | L | 89.9 | Confident | 90.4 | Very high | 52 Ų | 52 | 96.5 Ų | 96.5 | 27% | 0.272 | 52% | 0.516 | S | S | . | . | trans | -81.4 | 133.4 | 166.9 | -64.5 | 174.9 | 0 | 0 | 0 | 108.4 | F294 I296 | L287-F294 HydrophobicContact CD1-CB 4.13Å; L287-F294 WeakPolarHBondContact CD1-O 3.45Å; L287-I296 HydrophobicContact CD1-CG1 4.48Å; L287-I296 HydrophobicContact CD2-CD1 3.87Å; L287-I296 HydrophobicContact CD2-CG1 4.04Å; L287-I296 HydrophobicContact CG-CD1 3.81Å; L287-I296 HydrophobicContact CG-CG1 3.93Å | ||
| 288 | N | 88.5 | Confident | 89.4 | Confident | 146 Ų | 146 | 93.9 Ų | 93.9 | 78% | 0.781 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -71.6 | -33.8 | 176.4 | -75.8 | -13.7 | 0 | 0 | 0 | 111.9 | ||
| 289 | D | 90.1 | Very high | 88.2 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | trans | -111.5 | 116.3 | 174.8 | -172.7 | -2.1 | 0 | 0 | 0 | 109.7 | N291 L292 | D289-N291 VanDerWaalsContact C-N 3.32Å; D289-N291 WeakPolarHBondContact OD1-CB 3.46Å; D289-N291 PolarHBondContact OD1-N 2.86Å; D289-N291 PolarHBondContact OD1-ND2 3.18Å; D289-L292 HydrophobicContact CB-CD1 4.02Å; D289-L292 HydrophobicContact CB-CG 4Å | ||
| 290 | L | 83.7 | Confident | 86.2 | Confident | 150 Ų | 150 | 96.1 Ų | 96.1 | 79% | 0.785 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.2 | 180 | -60.6 | 177.1 | 0 | 0 | 0 | 112.7 | L292 | L290-L292 VanDerWaalsContact C-N 3.27Š|
| 291 | N | 90.4 | Very high | 83.9 | Confident | 150 Ų | 150 | 104.3 Ų | 104.3 | 80% | 0.802 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.5 | 175.7 | -59.1 | -53.8 | 0 | 0 | 0 | 112.9 | D289 | D289-N291 VanDerWaalsContact C-N 3.32Å; D289-N291 WeakPolarHBondContact OD1-CB 3.46Å; D289-N291 PolarHBondContact OD1-N 2.86Å; D289-N291 PolarHBondContact OD1-ND2 3.18Å |
| 292 | L | 88.1 | Confident | 83.4 | Confident | 76 Ų | 76 | 108.8 Ų | 108.8 | 40% | 0.398 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -75.6 | 146.7 | 176 | -63.9 | 175.3 | 0 | 0 | 0 | 110.8 | D289 L290 F294 | D289-L292 HydrophobicContact CB-CD1 4.02Å; D289-L292 HydrophobicContact CB-CG 4Å; L290-L292 VanDerWaalsContact C-N 3.27Å; L292-F294 HydrophobicContact CB-CD2 3.85Å; L292-F294 HydrophobicContact CD1-CD2 4.36Å; L292-F294 PolarHBondContact O-N 3.03Å |
| 293 | P | 89.6 | Confident | 82.9 | Confident | 122 Ų | 122 | 109.9 Ų | 109.9 | 79% | 0.792 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -74 | 21.6 | 177.9 | 33.4 | -37.4 | 0 | 0 | 0 | 113.4 | ||
| 294 | F | 90.6 | Very high | 82.4 | Confident | 110 Ų | 110 | 114.6 Ų | 114.6 | 48% | 0.482 | 59% | 0.593 | S | S | . | * | trans | -111.8 | 150.9 | -175 | -54.3 | -57.6 | 0 | 0 | 0 | 111 | I267 L287 L292 | I267-F294 HydrophobicContact CD1-CD1 3.48Å; I267-F294 VanDerWaalsContact CD1-CD1 3.48Å; I267-F294 HydrophobicContact CD1-CE1 3.57Å; L287-F294 HydrophobicContact CD1-CB 4.13Å; L287-F294 WeakPolarHBondContact CD1-O 3.45Å; L292-F294 HydrophobicContact CB-CD2 3.85Å; L292-F294 HydrophobicContact CD1-CD2 4.36Å; L292-F294 PolarHBondContact O-N 3.03Å | ||
| 295 | K | 89.3 | Confident | 81.9 | Confident | 178 Ų | 178 | 116.8 Ų | 116.8 | 77% | 0.774 | 60% | 0.597 | S | S | * | * | trans | -133.8 | 138.8 | 175.4 | -179.4 | 177.2 | 178.1 | -178.3 | 0 | 110.1 | T297 | K295-T297 HydrophobicContact CD-CG2 4.31Å; K295-T297 HydrophobicContact CG-CG2 4.29Å | ||
| 296 | I | 89.3 | Confident | 81.4 | Confident | 60 Ų | 60 | 121.3 Ų | 121.3 | 31% | 0.308 | 62% | 0.623 | S | S | . | * | trans | -89.2 | 131.9 | 167.5 | -60.2 | 173.2 | 0 | 0 | 0 | 108.4 | L287 | L287-I296 HydrophobicContact CD1-CG1 4.48Å; L287-I296 HydrophobicContact CD2-CD1 3.87Å; L287-I296 HydrophobicContact CD2-CG1 4.04Å; L287-I296 HydrophobicContact CG-CD1 3.81Å; L287-I296 HydrophobicContact CG-CG1 3.93Å | ||
| 297 | T | 84.9 | Confident | 80.8 | Confident | 115 Ų | 115 | 115.7 Ų | 115.7 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | trans | -123.7 | 136.2 | 175.7 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | K295 | K295-T297 HydrophobicContact CD-CG2 4.31Å; K295-T297 HydrophobicContact CG-CG2 4.29Å | ||
| 298 | G | 74.9 | Confident | 80.2 | Confident | 64 Ų | 64 | 120.2 Ų | 120.2 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | trans | 89.8 | 40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 299 | N | 67 | Low | 79.5 | Confident | 61 Ų | 61 | 118.2 Ų | 118.2 | 33% | 0.326 | 63% | 0.626 | S | S | . | * | trans | -66.8 | 137.4 | 161.9 | -73.4 | -12.2 | 0 | 0 | 0 | 108.4 | Y285 | Y285-N299 WeakPolarHBondContact CB-OD1 3.15Å; Y285-N299 PolarHBondContact N-OD1 3.12Å; Y285-N299 PolarHBondContact O-ND2 3.16Å; Y285-N299 PolarHBondContact O-OD1 2.73Å | ||
| 300 | W | 50.7 | Low | 78.6 | Confident | 179 Ų | 179 | 122.2 Ų | 122.2 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | trans | 76.6 | 95.9 | -169.8 | -39.4 | 106.5 | 0 | 0 | 0 | 113.3 | ||||
| 301 | L | 45.1 | Very low | 78.2 | Confident | 201 Ų | 201 | 119.6 Ų | 119.6 | 100% | 1.052 | 63% | 0.634 | S | S | * | * | trans | -104.3 | 0 | 150.2 | -80.7 | 172.7 | 0 | 0 | 0 | 107.7 |
Retrieved 301 of 301 residues in 313.8 ms
(Link to these results)