| 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 | 88.7 | Confident | 96.3 | Very high | 135 Ų | 135 | 33.8 Ų | 33.8 | 67% | 0.665 | 18% | 0.18 | S | C | * | . | 0 | 129.7 | 0 | 179.2 | 177.6 | 65.3 | 0 | 0 | 107.7 | Q32 V77 | M1-Q32 HydrophobicContact CG-CB 4.17Å; M1-V77 HydrophobicContact CE-CG1 3.32Å; M1-V77 HydrophobicContact SD-CG1 3.75Å | |||
| 2 | L | 94.3 | Very high | 96.1 | Very high | 106 Ų | 106 | 38 Ų | 38 | 56% | 0.555 | 21% | 0.21 | S | C | * | . | trans | -116.8 | 127.8 | 179.9 | -64.9 | -179.8 | 0 | 0 | 0 | 109.3 | Q32 H33 | L2-Q32 PolarHBondContact O-N 3.11Å; L2-H33 PolarHBondContact O-N 3.3Å | ||
| 3 | V | 96.7 | Very high | 96 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.2 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | V5 H33 L35 V77 | V3-V5 HydrophobicContact CG1-CG2 4.48Å; V3-H33 WeakPolarHBondContact CA-O 3.44Å; V3-H33 HydrophobicContact CG1-CB 4.12Å; V3-H33 HydrophobicContact CG2-CB 4.23Å; V3-L35 HydrophobicContact CG1-CD1 3.74Å; V3-L35 HydrophobicContact CG1-CG 3.77Å; V3-V77 HydrophobicContact CG2-CG1 3.67Å |
| 4 | L | 97.2 | Very high | 95.9 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.4 | 171 | 172.9 | 65.3 | 0 | 0 | 0 | 108.8 | I6 L26 I31 H33 I34 L35 | L4-I6 HydrophobicContact CD1-CB 4.45Å; L4-I6 HydrophobicContact CD2-CB 4.47Å; L4-I6 HydrophobicContact CD2-CD1 4.25Å; L4-I6 HydrophobicContact CD2-CG2 4.36Å; L4-I6 HydrophobicContact CG-CB 4.2Å; L4-I6 HydrophobicContact CG-CG2 4.34Å; L4-L26 HydrophobicContact CD1-CD2 4.32Å; L4-L26 HydrophobicContact CD2-CD2 3.68Å; L4-I31 HydrophobicContact CB-CD1 4.23Å; L4-I31 HydrophobicContact CB-CG1 4.46Å; L4-I31 HydrophobicContact CB-CG2 3.79Å; L4-I31 HydrophobicContact CD2-CD1 4.06Å; L4-H33 PolarHBondContact N-O 3.14Å; L4-I34 HydrophobicContact CB-CG1 4.23Å; L4-I34 HydrophobicContact CD2-CD1 4.24Å; L4-I34 HydrophobicContact CD2-CG1 4.19Å; L4-I34 HydrophobicContact CD2-CG2 4.4Å; L4-I34 CarbonylContact O-C 3.46Å; L4-I34 WeakPolarHBondContact O-CA 3.38Å; L4-L35 PolarHBondContact O-N 3.01Å |
| 5 | V | 98.2 | Very high | 95.8 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 21% | 0.206 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.1 | 168.9 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | V3 L35 I112 I130 P132 | V3-V5 HydrophobicContact CG1-CG2 4.48Å; V5-L35 WeakPolarHBondContact CA-O 3.4Å; V5-I112 HydrophobicContact CG1-CD1 4.13Å; V5-I112 HydrophobicContact CG1-CG2 3.42Å; V5-I112 VanDerWaalsContact CG1-CG2 3.42Å; V5-I112 HydrophobicContact CG2-CD1 3.83Å; V5-I130 HydrophobicContact CG1-CG2 4.32Å; V5-P132 HydrophobicContact CB-CB 4.49Å; V5-P132 HydrophobicContact CG1-CB 4.02Å; V5-P132 HydrophobicContact CG1-CG 3.97Å |
| 6 | I | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 164 | -171 | -162.5 | 162.5 | 0 | 0 | 0 | 110.9 | L4 F9 F22 I34 L35 C36 T37 L49 A135 | L4-I6 HydrophobicContact CD1-CB 4.45Å; L4-I6 HydrophobicContact CD2-CB 4.47Å; L4-I6 HydrophobicContact CD2-CD1 4.25Å; L4-I6 HydrophobicContact CD2-CG2 4.36Å; L4-I6 HydrophobicContact CG-CB 4.2Å; L4-I6 HydrophobicContact CG-CG2 4.34Å; I6-F9 HydrophobicContact CB-CE2 4.5Å; I6-F9 HydrophobicContact CB-CZ 4.41Å; I6-F9 HydrophobicContact CD1-CE1 4.01Å; I6-F9 HydrophobicContact CD1-CE2 4.25Å; I6-F9 HydrophobicContact CD1-CZ 3.41Å; I6-F9 VanDerWaalsContact CD1-CZ 3.41Å; I6-F9 HydrophobicContact CG1-CE1 4.35Å; I6-F9 HydrophobicContact CG1-CE2 3.8Å; I6-F9 HydrophobicContact CG1-CZ 3.48Å; I6-F9 VanDerWaalsContact CG1-CZ 3.48Å; I6-F9 HydrophobicContact CG2-CE2 4.13Å; I6-F9 HydrophobicContact CG2-CZ 4.12Å; I6-F22 HydrophobicContact CD1-CE1 3.81Å; I6-F22 HydrophobicContact CD1-CZ 4.27Å; I6-I34 HydrophobicContact CG2-CG2 3.84Å; I6-L35 PolarHBondContact N-O 3.27Å; I6-C36 HydrophobicContact CG2-CB 4.39Å; I6-C36 CarbonylContact O-C 3.53Å; I6-C36 WeakPolarHBondContact O-CA 3.47Å; I6-T37 PolarHBondContact O-N 2.95Å; I6-T37 PolarHBondContact O-OG1 2.75Å; I6-L49 HydrophobicContact CG2-CD2 4.41Å; I6-A135 HydrophobicContact CD1-CB 3.97Å; I6-A135 HydrophobicContact CG1-CB 3.63Å |
| 7 | G | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | 167.7 | -168.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F9 T37 A135 | G7-F9 VanDerWaalsContact C-N 3.27Å; G7-F9 PolarHBondContact O-N 2.84Å; G7-T37 WeakPolarHBondContact CA-OG1 3.3Å; G7-A135 VanDerWaalsContact O-CB 3.26Å; G7-A135 WeakPolarHBondContact O-CB 3.36Å; G7-A135 PolarHBondContact O-N 3.16Å | ||
| 8 | D | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | 51.6 | 48.2 | 175.4 | -72.2 | -49.8 | 0 | 0 | 0 | 112.1 | H10 G38 N39 H86 H115 H117 S134 | D8-H10 IonicContact OD1-NE2 3.88Å; D8-G38 PolarHBondContact N-O 3.39Å; D8-N39 WeakPolarHBondContact OD1-CB 3.45Å; D8-N39 PolarHBondContact OD1-ND2 2.71Å; D8-N39 VanDerWaalsContact OD1-ND2 3.1Å; D8-H86 IonicContact OD1-CE1 3.06Å; D8-H86 PolarHBondContact OD1-CE1 2.94Å; D8-H115 PolarHBondContact OD2-N 3.09Å; D8-H117 IonicContact OD1-CD2 2.65Å; D8-H117 IonicContact OD1-NE2 3.53Å; D8-H117 IonicContact OD2-CD2 3.8Å; D8-S134 PolarHBondContact O-OG 3.38Å | ||
| 9 | F | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -73.9 | -47.3 | -179.2 | -72.1 | -99.2 | 0 | 0 | 0 | 111.2 | I6 G7 I11 L18 N39 L40 M45 L49 A135 T136 | I6-F9 HydrophobicContact CB-CE2 4.5Å; I6-F9 HydrophobicContact CB-CZ 4.41Å; I6-F9 HydrophobicContact CD1-CE1 4.01Å; I6-F9 HydrophobicContact CD1-CE2 4.25Å; I6-F9 HydrophobicContact CD1-CZ 3.41Å; I6-F9 VanDerWaalsContact CD1-CZ 3.41Å; I6-F9 HydrophobicContact CG1-CE1 4.35Å; I6-F9 HydrophobicContact CG1-CE2 3.8Å; I6-F9 HydrophobicContact CG1-CZ 3.48Å; I6-F9 VanDerWaalsContact CG1-CZ 3.48Å; I6-F9 HydrophobicContact CG2-CE2 4.13Å; I6-F9 HydrophobicContact CG2-CZ 4.12Å; G7-F9 VanDerWaalsContact C-N 3.27Å; G7-F9 PolarHBondContact O-N 2.84Å; F9-I11 VanDerWaalsContact C-N 3.26Å; F9-I11 HydrophobicContact CB-CD1 4.4Å; F9-I11 HydrophobicContact CB-CG1 4.38Å; F9-I11 HydrophobicContact CD1-CD1 4.24Å; F9-I11 PolarHBondContact O-N 2.89Å; F9-L18 HydrophobicContact CD1-CD2 3.74Å; F9-L18 HydrophobicContact CD1-CG 4.16Å; F9-L18 HydrophobicContact CE1-CD1 3.94Å; F9-L18 HydrophobicContact CE1-CD2 3.6Å; F9-L18 HydrophobicContact CE1-CG 4.02Å; F9-N39 PolarHBondContact N-O 3.37Å; F9-L40 HydrophobicContact CD2-CD2 3.38Å; F9-L40 HydrophobicContact CD2-CG 4.47Å; F9-L40 HydrophobicContact CE2-CD2 3.52Å; F9-L40 HydrophobicContact CG-CD2 4.06Å; F9-L40 HydrophobicContact CZ-CD2 4.3Å; F9-M45 HydrophobicContact CD1-CE 3.52Å; F9-M45 HydrophobicContact CE1-CE 3.66Å; F9-M45 HydrophobicContact CG-CE 4.31Å; F9-L49 HydrophobicContact CE2-CD1 4.47Å; F9-L49 HydrophobicContact CZ-CD1 4.46Å; F9-L49 HydrophobicContact CZ-CD2 4.08Å; F9-A135 HydrophobicContact CD1-CB 3.87Å; F9-A135 HydrophobicContact CD2-CB 4.3Å; F9-A135 HydrophobicContact CE1-CB 3.76Å; F9-A135 HydrophobicContact CE2-CB 4.21Å; F9-A135 HydrophobicContact CG-CB 4.17Å; F9-A135 HydrophobicContact CZ-CB 3.96Å; F9-T136 HydrophobicContact CB-CG2 4.38Å; F9-T136 HydrophobicContact CD1-CG2 4.22Å; F9-T136 WeakPolarHBondContact O-CG2 3.33Å; F9-T136 PolarHBondContact O-OG1 2.98Å | ||
| 10 | H | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | trans | 47.5 | 47.7 | -172.4 | -64.6 | -78.3 | 0 | 0 | 0 | 112.9 | D8 P12 D13 R14 K15 N39 T41 F63 H117 A138 | D8-H10 IonicContact OD1-NE2 3.88Å; H10-P12 CarbonylContact O-C 3.57Å; H10-D13 PolarHBondContact O-N 3.22Å; H10-D13 VanDerWaalsContact O-N 3.17Å; H10-R14 HydrophobicContact CB-CB 3.62Å; H10-R14 HydrophobicContact CB-CG 3.73Å; H10-R14 PolarHBondContact CE1-NH2 2.75Å; H10-R14 PolarHBondContact NE2-NH1 2.84Å; H10-R14 PolarHBondContact O-N 3.25Å; H10-K15 PolarHBondContact O-N 3.06Å; H10-N39 PolarHBondContact CE1-ND2 3.16Å; H10-N39 VanDerWaalsContact CE1-ND2 3.34Å; H10-N39 PolarHBondContact N-O 2.94Å; H10-N39 PolarHBondContact NE2-ND2 2.82Å; H10-T41 WeakPolarHBondContact CA-OG1 3.35Å; H10-F63 AromaticContact CE1-CD2 3.54Å; H10-H117 AromaticContact CD2-CE1 3.7Å; H10-H117 AromaticContact CD2-NE2 3.85Å; H10-H117 AromaticContact NE2-CE1 3.65Å; H10-H117 AromaticContact NE2-NE2 3.39Å; H10-H117 PolarHBondContact NE2-NE2 3.42Å; H10-A138 HydrophobicContact CB-CB 4.11Å | ||
| 11 | I | 96.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 120.5 | 174.6 | -64 | 167.2 | 0 | 0 | 0 | 108.8 | F9 K15 L18 L40 T41 S42 M45 T136 | F9-I11 VanDerWaalsContact C-N 3.26Å; F9-I11 HydrophobicContact CB-CD1 4.4Å; F9-I11 HydrophobicContact CB-CG1 4.38Å; F9-I11 HydrophobicContact CD1-CD1 4.24Å; F9-I11 PolarHBondContact O-N 2.89Å; I11-K15 WeakPolarHBondContact CA-O 3.24Å; I11-K15 HydrophobicContact CG1-CB 4.29Å; I11-K15 WeakPolarHBondContact CG1-O 3.34Å; I11-L18 HydrophobicContact CD1-CG 4.37Å; I11-L40 VanDerWaalsContact O-O 3.12Å; I11-T41 PolarHBondContact N-OG1 3.14Å; I11-T41 PolarHBondContact O-OG1 3.32Å; I11-S42 WeakPolarHBondContact O-CB 3.44Å; I11-S42 PolarHBondContact O-OG 3.04Å; I11-M45 HydrophobicContact CB-CG 3.81Å; I11-M45 HydrophobicContact CB-SD 3.93Å; I11-M45 HydrophobicContact CD1-CE 3.98Å; I11-M45 HydrophobicContact CD1-CG 4.4Å; I11-M45 HydrophobicContact CD1-SD 3.62Å; I11-M45 HydrophobicContact CG1-SD 4.38Å; I11-M45 HydrophobicContact CG2-CG 4.12Å; I11-M45 HydrophobicContact CG2-SD 3.88Å; I11-T136 HydrophobicContact CD1-CG2 3.76Å; I11-T136 HydrophobicContact CG1-CG2 4.11Å |
| 12 | P | 94.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 58.8 Ų | 58.8 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.3 | -2.7 | 12.3 | 36.4 | -35.8 | 0 | 0 | 0 | 115.9 | H10 R14 K15 | H10-P12 CarbonylContact O-C 3.57Å; P12-R14 PolarHBondContact O-N 2.94Å; P12-K15 CarbonylContact C-O 3.45Å; P12-K15 WeakPolarHBondContact CA-O 3.38Å |
| 13 | D | 93.6 | Very high | 95.1 | Very high | 107 Ų | 107 | 57.5 Ų | 57.5 | 57% | 0.572 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -42 | -161 | -57.9 | -27.9 | 0 | 0 | 0 | 114.9 | H10 T41 | H10-D13 PolarHBondContact O-N 3.22Å; H10-D13 VanDerWaalsContact O-N 3.17Å; D13-T41 VanDerWaalsContact OD2-CB 3.24Å; D13-T41 WeakPolarHBondContact OD2-CB 3.36Å; D13-T41 WeakPolarHBondContact OD2-CG2 3.44Å |
| 14 | R | 94.9 | Very high | 94.7 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -22.9 | -179.8 | -56.4 | -177.3 | -171.8 | 166.3 | 12.9 | 112.8 | H10 P12 A138 Y139 | H10-R14 HydrophobicContact CB-CB 3.62Å; H10-R14 HydrophobicContact CB-CG 3.73Å; H10-R14 PolarHBondContact CE1-NH2 2.75Å; H10-R14 PolarHBondContact NE2-NH1 2.84Å; H10-R14 PolarHBondContact O-N 3.25Å; P12-R14 PolarHBondContact O-N 2.94Å; R14-A138 HydrophobicContact CB-CB 4.02Å; R14-Y139 PolarHBondContact NH1-O 3.15Å |
| 15 | K | 95.5 | Very high | 94.3 | Very high | 78 Ų | 78 | 65 Ų | 65 | 34% | 0.339 | 34% | 0.336 | S | S | . | . | trans | -140.2 | 146.6 | 179.4 | -66.7 | -73.4 | -178.2 | 160.9 | 0 | 110.2 | H10 I11 P12 T136 G137 A138 | H10-K15 PolarHBondContact O-N 3.06Å; I11-K15 WeakPolarHBondContact CA-O 3.24Å; I11-K15 HydrophobicContact CG1-CB 4.29Å; I11-K15 WeakPolarHBondContact CG1-O 3.34Å; P12-K15 CarbonylContact C-O 3.45Å; P12-K15 WeakPolarHBondContact CA-O 3.38Å; K15-T136 HydrophobicContact CB-CG2 4.36Å; K15-T136 WeakPolarHBondContact CE-O 3.48Å; K15-T136 WeakPolarHBondContact CG-OG1 3.43Å; K15-G137 WeakPolarHBondContact CE-O 3.37Å; K15-G137 PolarHBondContact NZ-O 3.26Å; K15-A138 HydrophobicContact CG-CB 4.04Å | ||
| 16 | R | 94.4 | Very high | 93.9 | Very high | 237 Ų | 237 | 63.9 Ų | 63.9 | 89% | 0.894 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -81.3 | -29.7 | -179.2 | -63.6 | -178.1 | -178 | 173.7 | 0.8 | 113.1 | ||
| 17 | S | 94.2 | Very high | 93.3 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -165.3 | 160.6 | -175 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 18 | L | 94.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | trans | -62 | 144.8 | 161 | -70 | 165.3 | 0 | 0 | 0 | 110.2 | F9 I11 F22 K23 L26 M45 Y48 A135 T136 | F9-L18 HydrophobicContact CD1-CD2 3.74Å; F9-L18 HydrophobicContact CD1-CG 4.16Å; F9-L18 HydrophobicContact CE1-CD1 3.94Å; F9-L18 HydrophobicContact CE1-CD2 3.6Å; F9-L18 HydrophobicContact CE1-CG 4.02Å; I11-L18 HydrophobicContact CD1-CG 4.37Å; L18-F22 HydrophobicContact CD2-CD1 3.99Å; L18-F22 HydrophobicContact CD2-CE1 4.35Å; L18-K23 HydrophobicContact CB-CD 4.37Å; L18-K23 HydrophobicContact CB-CG 3.75Å; L18-K23 HydrophobicContact CD1-CG 4.26Å; L18-K23 WeakPolarHBondContact O-CE 3.33Å; L18-L26 HydrophobicContact CD1-CD1 4.14Å; L18-M45 HydrophobicContact CD1-CE 4.32Å; L18-Y48 HydrophobicContact CD1-CD1 4.26Å; L18-Y48 HydrophobicContact CD1-CE1 3.45Å; L18-Y48 VanDerWaalsContact CD1-CE1 3.45Å; L18-A135 HydrophobicContact CD2-CB 3.9Å; L18-A135 VanDerWaalsContact CD2-O 3.3Å; L18-A135 WeakPolarHBondContact CD2-O 3.42Å; L18-T136 HydrophobicContact CD2-CG2 3.71Å; L18-T136 HydrophobicContact CG-CG2 4.42Å | ||
| 19 | H | 93.7 | Very high | 92.4 | Very high | 127 Ų | 127 | 73.4 Ų | 73.4 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | trans | -56.1 | 133.2 | 174.3 | -170.8 | -89.6 | 0 | 0 | 0 | 110.4 | A21 F22 K23 | H19-A21 VanDerWaalsContact C-N 3.28Å; H19-A21 VanDerWaalsContact ND1-CB 3.35Å; H19-A21 WeakPolarHBondContact ND1-CB 3.34Å; H19-A21 PolarHBondContact ND1-N 3.03Å; H19-A21 VanDerWaalsContact ND1-N 3.2Å; H19-A21 PolarHBondContact O-N 2.87Å; H19-F22 HydrophobicContact CB-CB 4.4Å; H19-F22 WeakPolarHBondContact O-CB 3.19Å; H19-F22 PolarHBondContact O-N 3.24Å; H19-K23 PolarHBondContact O-N 3.23Å; H19-K23 VanDerWaalsContact O-N 3.11Å | ||
| 20 | P | 92.6 | Very high | 92 | Very high | 90 Ų | 90 | 80.1 Ų | 80.1 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -54.4 | -41.5 | -176 | -28.6 | 35.4 | 0 | 0 | 0 | 113.7 | F22 K23 T24 | P20-F22 PolarHBondContact O-N 2.73Å; P20-K23 WeakPolarHBondContact O-CB 3.43Å; P20-K23 PolarHBondContact O-N 3.36Å; P20-T24 PolarHBondContact O-N 3Å; P20-T24 PolarHBondContact O-OG1 2.91Å |
| 21 | A | 91.3 | Very high | 91.9 | Very high | 59 Ų | 59 | 81.1 Ų | 81.1 | 49% | 0.488 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.4 | -33.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H19 | H19-A21 VanDerWaalsContact C-N 3.28Å; H19-A21 VanDerWaalsContact ND1-CB 3.35Å; H19-A21 WeakPolarHBondContact ND1-CB 3.34Å; H19-A21 PolarHBondContact ND1-N 3.03Å; H19-A21 VanDerWaalsContact ND1-N 3.2Å; H19-A21 PolarHBondContact O-N 2.87Å |
| 22 | F | 90.7 | Very high | 91.9 | Very high | 70 Ų | 70 | 84.5 Ų | 84.5 | 31% | 0.307 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.3 | -38.9 | 177.3 | -167.3 | -116.3 | 0 | 0 | 0 | 111.3 | I6 L18 H19 P20 T24 L25 L26 | I6-F22 HydrophobicContact CD1-CE1 3.81Å; I6-F22 HydrophobicContact CD1-CZ 4.27Å; L18-F22 HydrophobicContact CD2-CD1 3.99Å; L18-F22 HydrophobicContact CD2-CE1 4.35Å; H19-F22 HydrophobicContact CB-CB 4.4Å; H19-F22 WeakPolarHBondContact O-CB 3.19Å; H19-F22 PolarHBondContact O-N 3.24Å; P20-F22 PolarHBondContact O-N 2.73Å; F22-T24 PolarHBondContact O-N 2.77Å; F22-L25 HydrophobicContact CD2-CD1 4.17Å; F22-L25 WeakPolarHBondContact O-CB 3.35Å; F22-L25 PolarHBondContact O-N 3.25Å; F22-L26 HydrophobicContact CD1-CD1 4.2Å; F22-L26 HydrophobicContact CE1-CD1 4.06Å; F22-L26 HydrophobicContact CE1-CD2 4.47Å; F22-L26 HydrophobicContact CE1-CG 4.49Å; F22-L26 HydrophobicContact CZ-CD2 4.47Å; F22-L26 PolarHBondContact O-N 3.26Å |
| 23 | K | 90.6 | Very high | 92 | Very high | 78 Ų | 78 | 82.2 Ų | 82.2 | 34% | 0.339 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57 | -37.9 | 174.4 | -66.9 | -173.4 | 176.2 | -174 | 0 | 112.6 | L18 H19 P20 L25 L26 | L18-K23 HydrophobicContact CB-CD 4.37Å; L18-K23 HydrophobicContact CB-CG 3.75Å; L18-K23 HydrophobicContact CD1-CG 4.26Å; L18-K23 WeakPolarHBondContact O-CE 3.33Å; H19-K23 PolarHBondContact O-N 3.23Å; H19-K23 VanDerWaalsContact O-N 3.11Å; P20-K23 WeakPolarHBondContact O-CB 3.43Å; P20-K23 PolarHBondContact O-N 3.36Å; K23-L25 PolarHBondContact O-N 2.86Å; K23-L26 PolarHBondContact O-N 2.92Å; K23-L26 VanDerWaalsContact O-N 3.14Å |
| 24 | T | 88.8 | Confident | 92.2 | Very high | 114 Ų | 114 | 77.1 Ų | 77.1 | 70% | 0.699 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.4 | -28 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | P20 F22 L26 | P20-T24 PolarHBondContact O-N 3Å; P20-T24 PolarHBondContact O-OG1 2.91Å; F22-T24 PolarHBondContact O-N 2.77Å; T24-L26 VanDerWaalsContact C-N 3.35Å |
| 25 | L | 88.7 | Confident | 92.4 | Very high | 129 Ų | 129 | 73.2 Ų | 73.2 | 68% | 0.675 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -76.4 | -24.2 | 176.5 | -59.3 | 175.1 | 0 | 0 | 0 | 112.4 | F22 K23 A27 | F22-L25 HydrophobicContact CD2-CD1 4.17Å; F22-L25 WeakPolarHBondContact O-CB 3.35Å; F22-L25 PolarHBondContact O-N 3.25Å; K23-L25 PolarHBondContact O-N 2.86Å; L25-A27 PolarHBondContact O-N 3.49Å |
| 26 | L | 90.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | trans | -85.5 | 48.3 | -178.9 | -57.2 | -178.5 | 0 | 0 | 0 | 112.2 | L4 L18 F22 K23 T24 I31 Y48 I52 | L4-L26 HydrophobicContact CD1-CD2 4.32Å; L4-L26 HydrophobicContact CD2-CD2 3.68Å; L18-L26 HydrophobicContact CD1-CD1 4.14Å; F22-L26 HydrophobicContact CD1-CD1 4.2Å; F22-L26 HydrophobicContact CE1-CD1 4.06Å; F22-L26 HydrophobicContact CE1-CD2 4.47Å; F22-L26 HydrophobicContact CE1-CG 4.49Å; F22-L26 HydrophobicContact CZ-CD2 4.47Å; F22-L26 PolarHBondContact O-N 3.26Å; K23-L26 PolarHBondContact O-N 2.92Å; K23-L26 VanDerWaalsContact O-N 3.14Å; T24-L26 VanDerWaalsContact C-N 3.35Å; L26-I31 HydrophobicContact CD2-CD1 4.44Å; L26-Y48 HydrophobicContact CD1-CE1 4.25Å; L26-I52 HydrophobicContact CB-CD1 3.79Å; L26-I52 HydrophobicContact CB-CG1 4.33Å; L26-I52 HydrophobicContact CD1-CD1 3.96Å; L26-I52 HydrophobicContact CG-CD1 4.44Å | ||
| 27 | A | 85 | Confident | 92.7 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | trans | -71.6 | 133 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L25 | L25-A27 PolarHBondContact O-N 3.49Š| ||
| 28 | P | 86.9 | Confident | 92.9 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 62% | 0.617 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 154 | 174.9 | -23.9 | 33.2 | 0 | 0 | 0 | 113.3 | K30 | P28-K30 VanDerWaalsContact C-N 3.31Å; P28-K30 PolarHBondContact O-N 3.24Å |
| 29 | G | 89.1 | Confident | 93.1 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -13.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 30 | K | 90.3 | Very high | 93.3 | Very high | 142 Ų | 142 | 49.1 Ų | 49.1 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -92.4 | -30.9 | 174.7 | -67 | -174.3 | 180 | 179.4 | 0 | 113.6 | P28 Q32 | P28-K30 VanDerWaalsContact C-N 3.31Å; P28-K30 PolarHBondContact O-N 3.24Å; K30-Q32 VanDerWaalsContact C-NE2 3.35Å; K30-Q32 PolarHBondContact O-NE2 2.92Å |
| 31 | I | 94.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 46 Ų | 46 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | trans | -97.7 | 126.2 | -175.4 | -62.7 | 158.2 | 0 | 0 | 0 | 109 | L4 L26 H33 I34 I52 C53 | L4-I31 HydrophobicContact CB-CD1 4.23Å; L4-I31 HydrophobicContact CB-CG1 4.46Å; L4-I31 HydrophobicContact CB-CG2 3.79Å; L4-I31 HydrophobicContact CD2-CD1 4.06Å; L26-I31 HydrophobicContact CD2-CD1 4.44Å; I31-H33 WeakPolarHBondContact CG2-O 3.39Å; I31-I34 HydrophobicContact CG2-CG1 3.83Å; I31-I52 HydrophobicContact CD1-CG2 3.77Å; I31-C53 HydrophobicContact CG2-CB 4.38Å; I31-C53 PolarHBondContact O-SG 3.2Å | ||
| 32 | Q | 95.1 | Very high | 93.6 | Very high | 77 Ų | 77 | 44.3 Ų | 44.3 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -95.5 | -26.3 | -179.6 | -73.9 | 75.7 | 63.2 | 0 | 0 | 113 | M1 L2 K30 C53 | M1-Q32 HydrophobicContact CG-CB 4.17Å; L2-Q32 PolarHBondContact O-N 3.11Å; K30-Q32 VanDerWaalsContact C-NE2 3.35Å; K30-Q32 PolarHBondContact O-NE2 2.92Å; Q32-C53 PolarHBondContact O-SG 3.19Å |
| 33 | H | 97.2 | Very high | 93.8 | Very high | 36 Ų | 36 | 46.9 Ų | 46.9 | 17% | 0.167 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 140.1 | 177.5 | -56.5 | -82.3 | 0 | 0 | 0 | 110.1 | L2 V3 L4 I31 D55 | L2-H33 PolarHBondContact O-N 3.3Å; V3-H33 WeakPolarHBondContact CA-O 3.44Å; V3-H33 HydrophobicContact CG1-CB 4.12Å; V3-H33 HydrophobicContact CG2-CB 4.23Å; L4-H33 PolarHBondContact N-O 3.14Å; I31-H33 WeakPolarHBondContact CG2-O 3.39Å; H33-D55 IonicContact CE1-OD2 3.25Å; H33-D55 PolarHBondContact CE1-OD2 3.05Å; H33-D55 VanDerWaalsContact CE1-OD2 3.25Å; H33-D55 IonicContact CG-OD2 3.83Å; H33-D55 IonicContact ND1-OD2 3.12Å; H33-D55 PolarHBondContact ND1-OD2 3.44Å |
| 34 | I | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.7 | 167.7 | -60.1 | -179.1 | 0 | 0 | 0 | 108.9 | L4 I6 I31 L49 I52 C53 D55 V56 H57 | L4-I34 HydrophobicContact CB-CG1 4.23Å; L4-I34 HydrophobicContact CD2-CD1 4.24Å; L4-I34 HydrophobicContact CD2-CG1 4.19Å; L4-I34 HydrophobicContact CD2-CG2 4.4Å; L4-I34 CarbonylContact O-C 3.46Å; L4-I34 WeakPolarHBondContact O-CA 3.38Å; I6-I34 HydrophobicContact CG2-CG2 3.84Å; I31-I34 HydrophobicContact CG2-CG1 3.83Å; I34-L49 HydrophobicContact CD1-CB 4.31Å; I34-L49 HydrophobicContact CD1-CD2 4.28Å; I34-L49 HydrophobicContact CG2-CD1 4.35Å; I34-L49 HydrophobicContact CG2-CD2 4.35Å; I34-I52 HydrophobicContact CD1-CB 4.05Å; I34-I52 HydrophobicContact CD1-CG2 4.03Å; I34-C53 HydrophobicContact CD1-CB 3.58Å; I34-C53 HydrophobicContact CG1-CB 3.71Å; I34-D55 PolarHBondContact N-O 3.48Å; I34-V56 HydrophobicContact CB-CB 4.47Å; I34-V56 HydrophobicContact CB-CG1 4.22Å; I34-V56 HydrophobicContact CB-CG2 4.2Å; I34-V56 HydrophobicContact CD1-CG2 4.25Å; I34-V56 HydrophobicContact CG2-CG1 4.24Å; I34-H57 PolarHBondContact O-N 3.33Å |
| 35 | L | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 108 | 174.6 | -50.1 | -175.2 | 0 | 0 | 0 | 108.2 | V3 L4 V5 I6 H57 L75 I82 L84 I112 | V3-L35 HydrophobicContact CG1-CD1 3.74Å; V3-L35 HydrophobicContact CG1-CG 3.77Å; L4-L35 PolarHBondContact O-N 3.01Å; V5-L35 WeakPolarHBondContact CA-O 3.4Å; I6-L35 PolarHBondContact N-O 3.27Å; L35-H57 HydrophobicContact CD2-CB 3.87Å; L35-L75 HydrophobicContact CD2-CD1 3.53Å; L35-L75 HydrophobicContact CD2-CD2 4.27Å; L35-I82 HydrophobicContact CD1-CD1 4.02Å; L35-I82 HydrophobicContact CD1-CG2 4.05Å; L35-L84 HydrophobicContact CB-CD1 4.41Å; L35-L84 HydrophobicContact CB-CD2 4.29Å; L35-I112 HydrophobicContact CB-CD1 4.34Å; L35-I112 HydrophobicContact CD1-CD1 3.51Å |
| 36 | C | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.8 | -175 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | I6 G38 L49 H57 V58 V59 | I6-C36 HydrophobicContact CG2-CB 4.39Å; I6-C36 CarbonylContact O-C 3.53Å; I6-C36 WeakPolarHBondContact O-CA 3.47Å; C36-G38 PolarHBondContact O-N 3.21Å; C36-L49 HydrophobicContact CB-CD1 4.25Å; C36-H57 PolarHBondContact N-O 2.89Å; C36-V58 HydrophobicContact CB-CB 4.2Å; C36-V58 HydrophobicContact CB-CG1 4.01Å; C36-V58 HydrophobicContact CB-CG2 3.86Å; C36-V59 PolarHBondContact O-N 3.29Å |
| 37 | T | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -77.7 | 19 | 179.7 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | I6 G7 L84 H86 I112 P132 | I6-T37 PolarHBondContact O-N 2.95Å; I6-T37 PolarHBondContact O-OG1 2.75Å; G7-T37 WeakPolarHBondContact CA-OG1 3.3Å; T37-L84 HydrophobicContact CG2-CD1 3.79Å; T37-H86 WeakPolarHBondContact O-CA 3.28Å; T37-H86 WeakPolarHBondContact O-CB 3.36Å; T37-H86 PolarHBondContact O-ND1 2.96Å; T37-I112 HydrophobicContact CG2-CG2 3.63Å; T37-P132 HydrophobicContact CG2-CG 4.16Å | ||
| 38 | G | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 80.7 | -164.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | D8 C36 L40 V59 D64 | D8-G38 PolarHBondContact N-O 3.39Å; C36-G38 PolarHBondContact O-N 3.21Å; G38-L40 VanDerWaalsContact C-N 3.29Å; G38-L40 PolarHBondContact O-N 2.77Å; G38-V59 WeakPolarHBondContact CA-O 3.32Å; G38-V59 PolarHBondContact N-O 3.37Å; G38-D64 WeakPolarHBondContact CA-OD2 3.38Å |
| 39 | N | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | 52.6 | 46.1 | -170.6 | -77.6 | -14.9 | 0 | 0 | 0 | 112.4 | D8 F9 H10 G61 D62 F63 D64 H86 | D8-N39 WeakPolarHBondContact OD1-CB 3.45Å; D8-N39 PolarHBondContact OD1-ND2 2.71Å; D8-N39 VanDerWaalsContact OD1-ND2 3.1Å; F9-N39 PolarHBondContact N-O 3.37Å; H10-N39 PolarHBondContact CE1-ND2 3.16Å; H10-N39 VanDerWaalsContact CE1-ND2 3.34Å; H10-N39 PolarHBondContact N-O 2.94Å; H10-N39 PolarHBondContact NE2-ND2 2.82Å; N39-G61 WeakPolarHBondContact OD1-CA 3.39Å; N39-D62 PolarHBondContact ND2-OD1 2.82Å; N39-D62 PolarHBondContact OD1-N 3.33Å; N39-D62 PolarHBondContact OD1-OD1 2.84Å; N39-F63 PolarHBondContact OD1-N 3.23Å; N39-D64 WeakPolarHBondContact CA-OD1 3.45Å; N39-D64 WeakPolarHBondContact CA-OD2 3.3Å; N39-D64 PolarHBondContact N-OD2 2.92Å; N39-H86 PolarHBondContact ND2-CE1 2.78Å; N39-H86 PolarHBondContact ND2-NE2 3.14Å | ||
| 40 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -74.7 | -31.4 | 169 | -71.5 | 173.8 | 0 | 0 | 0 | 111.6 | F9 I11 G38 S42 M45 Y46 L49 V58 D64 L67 F69 | F9-L40 HydrophobicContact CD2-CD2 3.38Å; F9-L40 HydrophobicContact CD2-CG 4.47Å; F9-L40 HydrophobicContact CE2-CD2 3.52Å; F9-L40 HydrophobicContact CG-CD2 4.06Å; F9-L40 HydrophobicContact CZ-CD2 4.3Å; I11-L40 VanDerWaalsContact O-O 3.12Å; G38-L40 VanDerWaalsContact C-N 3.29Å; G38-L40 PolarHBondContact O-N 2.77Å; L40-S42 PolarHBondContact O-N 2.96Å; L40-M45 HydrophobicContact CB-CB 4.16Å; L40-M45 HydrophobicContact CD2-CB 3.81Å; L40-Y46 HydrophobicContact CD1-CD2 4.46Å; L40-L49 HydrophobicContact CD1-CD1 4.41Å; L40-L49 HydrophobicContact CD2-CD1 3.85Å; L40-V58 HydrophobicContact CD1-CG1 3.81Å; L40-V58 HydrophobicContact CD1-CG2 4.26Å; L40-D64 PolarHBondContact N-OD1 2.89Å; L40-L67 HydrophobicContact CB-CD1 4.37Å; L40-F69 HydrophobicContact CD1-CE2 4.04Å; L40-F69 HydrophobicContact CD1-CZ 4.29Å | ||
| 41 | T | 95.7 | Very high | 96.4 | Very high | 24 Ų | 24 | 40 Ų | 40 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | trans | 60.3 | -11.2 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 116.1 | H10 I11 D13 F63 D64 | H10-T41 WeakPolarHBondContact CA-OG1 3.35Å; I11-T41 PolarHBondContact N-OG1 3.14Å; I11-T41 PolarHBondContact O-OG1 3.32Å; D13-T41 VanDerWaalsContact OD2-CB 3.24Å; D13-T41 WeakPolarHBondContact OD2-CB 3.36Å; D13-T41 WeakPolarHBondContact OD2-CG2 3.44Å; T41-F63 HydrophobicContact CG2-CB 3.79Å; T41-D64 PolarHBondContact N-OD1 3.37Å | ||
| 42 | S | 94.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -147.8 | 146 | 177.4 | 64.9 | 0 | 0 | 0 | 0 | 112.6 | I11 L40 Y44 M45 | I11-S42 WeakPolarHBondContact O-CB 3.44Å; I11-S42 PolarHBondContact O-OG 3.04Å; L40-S42 PolarHBondContact O-N 2.96Å; S42-Y44 PolarHBondContact O-N 2.78Å; S42-M45 PolarHBondContact O-N 2.98Å; S42-M45 VanDerWaalsContact O-N 3.15Å; S42-M45 PolarHBondContact OG-N 3.18Å |
| 43 | K | 94.9 | Very high | 96.4 | Very high | 123 Ų | 123 | 36.1 Ų | 36.1 | 54% | 0.535 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.6 | -32.5 | 171.2 | -171.5 | -172.3 | 179.3 | -56.4 | 0 | 111.7 | M45 Y46 D47 L67 | K43-M45 VanDerWaalsContact C-N 3.27Å; K43-M45 PolarHBondContact O-N 3.13Å; K43-Y46 WeakPolarHBondContact O-CB 3.45Å; K43-Y46 PolarHBondContact O-N 2.95Å; K43-Y46 VanDerWaalsContact O-N 3.1Å; K43-D47 IonicContact NZ-OD1 2.73Å; K43-D47 PolarHBondContact NZ-OD1 2.65Å; K43-D47 IonicContact NZ-OD2 2.7Å; K43-D47 PolarHBondContact NZ-OD2 3.33Å; K43-D47 PolarHBondContact O-N 3.26Å; K43-L67 HydrophobicContact CB-CD2 4.26Å |
| 44 | Y | 94.8 | Very high | 96.3 | Very high | 145 Ų | 145 | 37.4 Ų | 37.4 | 57% | 0.569 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -53.6 | -43.9 | 175.4 | 169.5 | -98.5 | 0 | 0 | 0 | 112.3 | S42 D47 Y48 | S42-Y44 PolarHBondContact O-N 2.78Å; Y44-D47 PolarHBondContact O-N 3.12Å; Y44-Y48 WeakPolarHBondContact O-CB 3.05Å; Y44-Y48 PolarHBondContact O-N 3.06Å |
| 45 | M | 95.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.7 | -35.2 | 178.8 | -70.4 | -49.8 | -50.4 | 0 | 0 | 112.6 | F9 I11 L18 L40 S42 K43 Y48 L49 | F9-M45 HydrophobicContact CD1-CE 3.52Å; F9-M45 HydrophobicContact CE1-CE 3.66Å; F9-M45 HydrophobicContact CG-CE 4.31Å; I11-M45 HydrophobicContact CB-CG 3.81Å; I11-M45 HydrophobicContact CB-SD 3.93Å; I11-M45 HydrophobicContact CD1-CE 3.98Å; I11-M45 HydrophobicContact CD1-CG 4.4Å; I11-M45 HydrophobicContact CD1-SD 3.62Å; I11-M45 HydrophobicContact CG1-SD 4.38Å; I11-M45 HydrophobicContact CG2-CG 4.12Å; I11-M45 HydrophobicContact CG2-SD 3.88Å; L18-M45 HydrophobicContact CD1-CE 4.32Å; L40-M45 HydrophobicContact CB-CB 4.16Å; L40-M45 HydrophobicContact CD2-CB 3.81Å; S42-M45 PolarHBondContact O-N 2.98Å; S42-M45 VanDerWaalsContact O-N 3.15Å; S42-M45 PolarHBondContact OG-N 3.18Å; K43-M45 VanDerWaalsContact C-N 3.27Å; K43-M45 PolarHBondContact O-N 3.13Å; M45-Y48 HydrophobicContact CE-CD1 3.79Å; M45-Y48 HydrophobicContact CE-CE1 4.49Å; M45-Y48 HydrophobicContact CE-CG 4.4Å; M45-Y48 PolarHBondContact O-N 3.46Å; M45-L49 WeakPolarHBondContact O-CG 3.33Å; M45-L49 PolarHBondContact O-N 2.83Å; M45-L49 VanDerWaalsContact O-N 3.08Å |
| 46 | Y | 96.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 25% | 0.251 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.2 | -47 | 171.9 | 177.1 | -108.2 | 0 | 0 | 0 | 111.9 | L40 K43 Y48 L49 K50 V56 V58 F69 | L40-Y46 HydrophobicContact CD1-CD2 4.46Å; K43-Y46 WeakPolarHBondContact O-CB 3.45Å; K43-Y46 PolarHBondContact O-N 2.95Å; K43-Y46 VanDerWaalsContact O-N 3.1Å; Y46-Y48 VanDerWaalsContact C-N 3.29Å; Y46-Y48 PolarHBondContact O-N 3.28Å; Y46-L49 PolarHBondContact O-N 2.96Å; Y46-K50 HydrophobicContact CE1-CG 4.22Å; Y46-K50 HydrophobicContact CE2-CG 4.45Å; Y46-K50 PolarHBondContact O-N 2.98Å; Y46-K50 WeakPolarHBondContact OH-CE 3.44Å; Y46-V56 HydrophobicContact CE2-CG1 4.32Å; Y46-V58 HydrophobicContact CD2-CG2 3.86Å; Y46-V58 HydrophobicContact CE2-CG2 3.9Å; Y46-F69 HydrophobicContact CD2-CE1 4.07Å; Y46-F69 AromaticContact CD2-CZ 3.8Å; Y46-F69 HydrophobicContact CD2-CZ 3.8Å; Y46-F69 HydrophobicContact CE2-CE1 4.11Å; Y46-F69 HydrophobicContact CE2-CZ 4.32Å; Y46-F69 HydrophobicContact CG-CZ 4.08Å |
| 47 | D | 95.7 | Very high | 96.2 | Very high | 66 Ų | 66 | 42 Ų | 42 | 35% | 0.353 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 177.5 | -64.9 | -20.1 | 0 | 0 | 0 | 111.1 | K43 Y44 K50 L51 | K43-D47 IonicContact NZ-OD1 2.73Å; K43-D47 PolarHBondContact NZ-OD1 2.65Å; K43-D47 IonicContact NZ-OD2 2.7Å; K43-D47 PolarHBondContact NZ-OD2 3.33Å; K43-D47 PolarHBondContact O-N 3.26Å; Y44-D47 PolarHBondContact O-N 3.12Å; D47-K50 WeakPolarHBondContact O-CB 3.48Å; D47-K50 PolarHBondContact O-N 3.06Å; D47-L51 PolarHBondContact O-N 3.47Å; D47-L51 VanDerWaalsContact O-N 3.12Å |
| 48 | Y | 95 | Very high | 96.1 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 173.8 | 174.5 | -103 | 0 | 0 | 0 | 112.6 | L18 L26 Y44 M45 Y46 K50 L51 I52 | L18-Y48 HydrophobicContact CD1-CD1 4.26Å; L18-Y48 HydrophobicContact CD1-CE1 3.45Å; L18-Y48 VanDerWaalsContact CD1-CE1 3.45Å; L26-Y48 HydrophobicContact CD1-CE1 4.25Å; Y44-Y48 WeakPolarHBondContact O-CB 3.05Å; Y44-Y48 PolarHBondContact O-N 3.06Å; M45-Y48 HydrophobicContact CE-CD1 3.79Å; M45-Y48 HydrophobicContact CE-CE1 4.49Å; M45-Y48 HydrophobicContact CE-CG 4.4Å; M45-Y48 PolarHBondContact O-N 3.46Å; Y46-Y48 VanDerWaalsContact C-N 3.29Å; Y46-Y48 PolarHBondContact O-N 3.28Å; Y48-K50 VanDerWaalsContact C-N 3.3Å; Y48-K50 PolarHBondContact O-N 3.21Å; Y48-L51 WeakPolarHBondContact O-CB 3.16Å; Y48-L51 PolarHBondContact O-N 2.81Å; Y48-I52 HydrophobicContact CD1-CD1 4.06Å; Y48-I52 HydrophobicContact CE1-CD1 3.54Å; Y48-I52 PolarHBondContact O-N 3.2Å |
| 49 | L | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 175.5 | -67 | 178.3 | 0 | 0 | 0 | 111.9 | I6 F9 I34 C36 L40 M45 Y46 L51 I52 C53 V56 | I6-L49 HydrophobicContact CG2-CD2 4.41Å; F9-L49 HydrophobicContact CE2-CD1 4.47Å; F9-L49 HydrophobicContact CZ-CD1 4.46Å; F9-L49 HydrophobicContact CZ-CD2 4.08Å; I34-L49 HydrophobicContact CD1-CB 4.31Å; I34-L49 HydrophobicContact CD1-CD2 4.28Å; I34-L49 HydrophobicContact CG2-CD1 4.35Å; I34-L49 HydrophobicContact CG2-CD2 4.35Å; C36-L49 HydrophobicContact CB-CD1 4.25Å; L40-L49 HydrophobicContact CD1-CD1 4.41Å; L40-L49 HydrophobicContact CD2-CD1 3.85Å; M45-L49 WeakPolarHBondContact O-CG 3.33Å; M45-L49 PolarHBondContact O-N 2.83Å; M45-L49 VanDerWaalsContact O-N 3.08Å; Y46-L49 PolarHBondContact O-N 2.96Å; L49-L51 VanDerWaalsContact C-N 3.26Å; L49-L51 PolarHBondContact O-N 3.11Å; L49-I52 HydrophobicContact CD2-CD1 4.27Å; L49-I52 WeakPolarHBondContact O-CB 3.47Å; L49-I52 PolarHBondContact O-N 3.35Å; L49-C53 PolarHBondContact O-N 3.4Å; L49-C53 VanDerWaalsContact O-N 3.11Å; L49-V56 HydrophobicContact CB-CG1 4.1Å; L49-V56 HydrophobicContact CB-CG2 4.41Å; L49-V56 HydrophobicContact CD1-CG1 4.39Å |
| 50 | K | 96.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.2 | -25.4 | 175.9 | -76 | -73.3 | -179 | -173.8 | 0 | 113.9 | Y46 D47 Y48 I52 C53 G54 V56 | Y46-K50 HydrophobicContact CE1-CG 4.22Å; Y46-K50 HydrophobicContact CE2-CG 4.45Å; Y46-K50 PolarHBondContact O-N 2.98Å; Y46-K50 WeakPolarHBondContact OH-CE 3.44Å; D47-K50 WeakPolarHBondContact O-CB 3.48Å; D47-K50 PolarHBondContact O-N 3.06Å; Y48-K50 VanDerWaalsContact C-N 3.3Å; Y48-K50 PolarHBondContact O-N 3.21Å; K50-I52 VanDerWaalsContact C-N 3.34Å; K50-C53 CarbonylContact C-O 3.55Å; K50-C53 WeakPolarHBondContact CA-O 3.24Å; K50-G54 PolarHBondContact NZ-O 3.33Å; K50-V56 HydrophobicContact CD-CB 4.13Å; K50-V56 HydrophobicContact CD-CG2 3.79Å; K50-V56 HydrophobicContact CG-CG2 4.24Å |
| 51 | L | 95 | Very high | 96.2 | Very high | 136 Ų | 136 | 45 Ų | 45 | 71% | 0.712 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -72.9 | -27.2 | 171.8 | -67.6 | 173.6 | 0 | 0 | 0 | 112.7 | D47 Y48 L49 | D47-L51 PolarHBondContact O-N 3.47Å; D47-L51 VanDerWaalsContact O-N 3.12Å; Y48-L51 WeakPolarHBondContact O-CB 3.16Å; Y48-L51 PolarHBondContact O-N 2.81Å; L49-L51 VanDerWaalsContact C-N 3.26Å; L49-L51 PolarHBondContact O-N 3.11Å |
| 52 | I | 94.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -79.8 | -44 | 179 | -62.5 | 161.2 | 0 | 0 | 0 | 110.4 | L26 I31 I34 Y48 L49 K50 | L26-I52 HydrophobicContact CB-CD1 3.79Å; L26-I52 HydrophobicContact CB-CG1 4.33Å; L26-I52 HydrophobicContact CD1-CD1 3.96Å; L26-I52 HydrophobicContact CG-CD1 4.44Å; I31-I52 HydrophobicContact CD1-CG2 3.77Å; I34-I52 HydrophobicContact CD1-CB 4.05Å; I34-I52 HydrophobicContact CD1-CG2 4.03Å; Y48-I52 HydrophobicContact CD1-CD1 4.06Å; Y48-I52 HydrophobicContact CE1-CD1 3.54Å; Y48-I52 PolarHBondContact O-N 3.2Å; L49-I52 HydrophobicContact CD2-CD1 4.27Å; L49-I52 WeakPolarHBondContact O-CB 3.47Å; L49-I52 PolarHBondContact O-N 3.35Å; K50-I52 VanDerWaalsContact C-N 3.34Å |
| 53 | C | 95.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | trans | -145.6 | 138.9 | -176.5 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | I31 Q32 I34 L49 K50 D55 V56 | I31-C53 HydrophobicContact CG2-CB 4.38Å; I31-C53 PolarHBondContact O-SG 3.2Å; Q32-C53 PolarHBondContact O-SG 3.19Å; I34-C53 HydrophobicContact CD1-CB 3.58Å; I34-C53 HydrophobicContact CG1-CB 3.71Å; L49-C53 PolarHBondContact O-N 3.4Å; L49-C53 VanDerWaalsContact O-N 3.11Å; K50-C53 CarbonylContact C-O 3.55Å; K50-C53 WeakPolarHBondContact CA-O 3.24Å; C53-D55 VanDerWaalsContact C-N 3.32Å; C53-V56 WeakPolarHBondContact O-CG2 3.37Å | ||
| 54 | G | 94.4 | Very high | 96.4 | Very high | 62 Ų | 62 | 44 Ų | 44 | 64% | 0.639 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -67.7 | -33.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K50 | K50-G54 PolarHBondContact NZ-O 3.33Š|
| 55 | D | 96.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | trans | -97.5 | 102.4 | -177.6 | -163.8 | 31.1 | 0 | 0 | 0 | 111.6 | H33 I34 C53 H57 | H33-D55 IonicContact CE1-OD2 3.25Å; H33-D55 PolarHBondContact CE1-OD2 3.05Å; H33-D55 VanDerWaalsContact CE1-OD2 3.25Å; H33-D55 IonicContact CG-OD2 3.83Å; H33-D55 IonicContact ND1-OD2 3.12Å; H33-D55 PolarHBondContact ND1-OD2 3.44Å; I34-D55 PolarHBondContact N-O 3.48Å; C53-D55 VanDerWaalsContact C-N 3.32Å; D55-H57 IonicContact OD1-CD2 3.96Å; D55-H57 IonicContact OD1-NE2 3.26Å; D55-H57 PolarHBondContact OD1-NE2 2.93Å; D55-H57 VanDerWaalsContact OD1-NE2 3.12Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 IonicContact OD2-NE2 2.94Å; D55-H57 PolarHBondContact OD2-NE2 3.33Å | ||
| 56 | V | 97.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 122.1 | -173.1 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | I34 Y46 L49 K50 C53 V58 | I34-V56 HydrophobicContact CB-CB 4.47Å; I34-V56 HydrophobicContact CB-CG1 4.22Å; I34-V56 HydrophobicContact CB-CG2 4.2Å; I34-V56 HydrophobicContact CD1-CG2 4.25Å; I34-V56 HydrophobicContact CG2-CG1 4.24Å; Y46-V56 HydrophobicContact CE2-CG1 4.32Å; L49-V56 HydrophobicContact CB-CG1 4.1Å; L49-V56 HydrophobicContact CB-CG2 4.41Å; L49-V56 HydrophobicContact CD1-CG1 4.39Å; K50-V56 HydrophobicContact CD-CB 4.13Å; K50-V56 HydrophobicContact CD-CG2 3.79Å; K50-V56 HydrophobicContact CG-CG2 4.24Å; C53-V56 WeakPolarHBondContact O-CG2 3.37Å; V56-V58 HydrophobicContact CG1-CG2 3.85Å |
| 57 | H | 98.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 11% | 0.111 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.9 | 178.1 | -62.4 | -110.4 | 0 | 0 | 0 | 107.9 | I34 L35 C36 D55 K73 L84 | I34-H57 PolarHBondContact O-N 3.33Å; L35-H57 HydrophobicContact CD2-CB 3.87Å; C36-H57 PolarHBondContact N-O 2.89Å; D55-H57 IonicContact OD1-CD2 3.96Å; D55-H57 IonicContact OD1-NE2 3.26Å; D55-H57 PolarHBondContact OD1-NE2 2.93Å; D55-H57 VanDerWaalsContact OD1-NE2 3.12Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 IonicContact OD2-NE2 2.94Å; D55-H57 PolarHBondContact OD2-NE2 3.33Å; H57-K73 HydrophobicContact CB-CD 4.15Å; H57-K73 WeakPolarHBondContact ND1-CE 3.4Å; H57-K73 PolarHBondContact ND1-NZ 3.31Å; H57-L84 HydrophobicContact CB-CD2 4.34Å |
| 58 | V | 98.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142 | -179.8 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | C36 L40 Y46 V56 F69 | C36-V58 HydrophobicContact CB-CB 4.2Å; C36-V58 HydrophobicContact CB-CG1 4.01Å; C36-V58 HydrophobicContact CB-CG2 3.86Å; L40-V58 HydrophobicContact CD1-CG1 3.81Å; L40-V58 HydrophobicContact CD1-CG2 4.26Å; Y46-V58 HydrophobicContact CD2-CG2 3.86Å; Y46-V58 HydrophobicContact CE2-CG2 3.9Å; V56-V58 HydrophobicContact CG1-CG2 3.85Å; V58-F69 HydrophobicContact CB-CD1 4.03Å; V58-F69 HydrophobicContact CB-CD2 4.25Å; V58-F69 HydrophobicContact CB-CE1 4.06Å; V58-F69 HydrophobicContact CB-CE2 4.26Å; V58-F69 HydrophobicContact CB-CG 4.13Å; V58-F69 HydrophobicContact CB-CZ 4.18Å; V58-F69 HydrophobicContact CG1-CD1 4.28Å; V58-F69 HydrophobicContact CG1-CD2 3.59Å; V58-F69 HydrophobicContact CG1-CE1 4.32Å; V58-F69 HydrophobicContact CG1-CE2 3.63Å; V58-F69 HydrophobicContact CG1-CG 3.94Å; V58-F69 HydrophobicContact CG1-CZ 4.01Å; V58-F69 HydrophobicContact CG2-CE1 4.42Å; V58-F69 HydrophobicContact CG2-CZ 4.41Å |
| 59 | V | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -112.5 | 157.4 | 166.1 | -68.3 | 0 | 0 | 0 | 0 | 110.5 | C36 G38 G61 P70 K73 L84 I85 | C36-V59 PolarHBondContact O-N 3.29Å; G38-V59 WeakPolarHBondContact CA-O 3.32Å; G38-V59 PolarHBondContact N-O 3.37Å; V59-G61 PolarHBondContact O-N 3.25Å; V59-P70 CarbonylContact C-O 3.56Å; V59-P70 WeakPolarHBondContact CA-O 3.4Å; V59-P70 WeakPolarHBondContact CB-O 3.47Å; V59-K73 HydrophobicContact CG1-CB 3.82Å; V59-L84 HydrophobicContact CB-CG 4.44Å; V59-L84 HydrophobicContact CG1-CB 4.22Å; V59-L84 HydrophobicContact CG1-CD2 3.95Å; V59-L84 HydrophobicContact CG1-CG 3.77Å; V59-L84 WeakPolarHBondContact CG1-O 3.47Å; V59-L84 HydrophobicContact CG2-CD1 4.42Å; V59-L84 HydrophobicContact CG2-CD2 4.32Å; V59-L84 HydrophobicContact CG2-CG 3.84Å; V59-I85 VanDerWaalsContact CG2-C 3.48Å | ||
| 60 | K | 98.3 | Very high | 95.7 | Very high | 53 Ų | 53 | 55 Ų | 55 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | trans | -76.4 | 119.6 | -175.7 | -166.3 | 168.2 | -174.2 | 151.3 | 0 | 111.2 | D64 E65 L67 F69 P70 L71 H86 | K60-D64 WeakPolarHBondContact CE-O 3.32Å; K60-D64 HydrophobicContact CG-CB 3.95Å; K60-E65 PolarHBondContact NZ-O 2.93Å; K60-L67 PolarHBondContact NZ-O 3.12Å; K60-L67 VanDerWaalsContact NZ-O 3.11Å; K60-F69 HydrophobicContact CB-CB 3.99Å; K60-F69 WeakPolarHBondContact CB-O 3.19Å; K60-P70 PolarHBondContact N-O 2.85Å; K60-L71 HydrophobicContact CB-CD2 4.27Å; K60-H86 WeakPolarHBondContact O-CB 3.48Å | ||
| 61 | G | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | trans | -78.9 | 166.8 | 165 | 0 | 0 | 0 | 0 | 0 | 112.7 | N39 V59 F63 D64 H86 | N39-G61 WeakPolarHBondContact OD1-CA 3.39Å; V59-G61 PolarHBondContact O-N 3.25Å; G61-F63 PolarHBondContact O-N 3.04Å; G61-D64 WeakPolarHBondContact CA-OD2 3.38Å; G61-D64 PolarHBondContact N-OD2 3.31Å; G61-D64 PolarHBondContact O-N 2.91Å; G61-H86 VanDerWaalsContact CA-CD2 3.42Å; G61-H86 WeakPolarHBondContact CA-CD2 3.48Å; G61-H86 VanDerWaalsContact CA-CG 3.47Å | ||
| 62 | D | 96.1 | Very high | 96 | Very high | 54 Ų | 54 | 52 Ų | 52 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.4 | 179.2 | 57.2 | -30.9 | 0 | 0 | 0 | 113.2 | N39 H86 H88 H115 | N39-D62 PolarHBondContact ND2-OD1 2.82Å; N39-D62 PolarHBondContact OD1-N 3.33Å; N39-D62 PolarHBondContact OD1-OD1 2.84Å; D62-H86 IonicContact OD1-CD2 3.19Å; D62-H86 IonicContact OD1-NE2 3.73Å; D62-H86 PolarHBondContact OD1-NE2 3.23Å; D62-H88 HydrophobicContact CB-CB 4.18Å; D62-H115 IonicContact OD1-ND1 3.85Å; D62-H115 IonicContact OD2-CE1 3.74Å; D62-H115 PolarHBondContact OD2-CE1 2.67Å; D62-H115 IonicContact OD2-ND1 3.41Å |
| 63 | F | 96.4 | Very high | 96.1 | Very high | 96 Ų | 96 | 55 Ų | 55 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 8 | 174.7 | -64 | -89 | 0 | 0 | 0 | 114.1 | H10 N39 T41 G61 E65 | H10-F63 AromaticContact CE1-CD2 3.54Å; N39-F63 PolarHBondContact OD1-N 3.23Å; T41-F63 HydrophobicContact CG2-CB 3.79Å; G61-F63 PolarHBondContact O-N 3.04Å; F63-E65 VanDerWaalsContact C-N 3.3Å; F63-E65 PolarHBondContact O-N 3.34Å |
| 64 | D | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | trans | -92.2 | 31.8 | 179.7 | -69.9 | -36.1 | 0 | 0 | 0 | 112.6 | G38 N39 L40 T41 K60 G61 A66 L67 | G38-D64 WeakPolarHBondContact CA-OD2 3.38Å; N39-D64 WeakPolarHBondContact CA-OD1 3.45Å; N39-D64 WeakPolarHBondContact CA-OD2 3.3Å; N39-D64 PolarHBondContact N-OD2 2.92Å; L40-D64 PolarHBondContact N-OD1 2.89Å; T41-D64 PolarHBondContact N-OD1 3.37Å; K60-D64 WeakPolarHBondContact CE-O 3.32Å; K60-D64 HydrophobicContact CG-CB 3.95Å; G61-D64 WeakPolarHBondContact CA-OD2 3.38Å; G61-D64 PolarHBondContact N-OD2 3.31Å; G61-D64 PolarHBondContact O-N 2.91Å; D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.4Å; D64-A66 VanDerWaalsContact O-N 3.15Å; D64-L67 HydrophobicContact CB-CB 4.34Å; D64-L67 HydrophobicContact CB-CD1 4.42Å; D64-L67 PolarHBondContact O-N 3.33Å | ||
| 65 | E | 88.9 | Confident | 96.5 | Very high | 164 Ų | 164 | 55.3 Ų | 55.3 | 77% | 0.766 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -45.8 | -169.4 | -69 | -174.1 | 179.5 | 0 | 0 | 113.8 | K60 F63 L67 | K60-E65 PolarHBondContact NZ-O 2.93Å; F63-E65 VanDerWaalsContact C-N 3.3Å; F63-E65 PolarHBondContact O-N 3.34Å; E65-L67 PolarHBondContact O-N 3.15Å |
| 66 | A | 89.2 | Confident | 96.5 | Very high | 104 Ų | 104 | 56.9 Ų | 56.9 | 86% | 0.86 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D64 | D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.4Å; D64-A66 VanDerWaalsContact O-N 3.15Å |
| 67 | L | 91.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -109.3 | 133.6 | -179.7 | -56.3 | 175.2 | 0 | 0 | 0 | 110.1 | L40 K43 K60 D64 E65 F69 | L40-L67 HydrophobicContact CB-CD1 4.37Å; K43-L67 HydrophobicContact CB-CD2 4.26Å; K60-L67 PolarHBondContact NZ-O 3.12Å; K60-L67 VanDerWaalsContact NZ-O 3.11Å; D64-L67 HydrophobicContact CB-CB 4.34Å; D64-L67 HydrophobicContact CB-CD1 4.42Å; D64-L67 PolarHBondContact O-N 3.33Å; E65-L67 PolarHBondContact O-N 3.15Å; L67-F69 HydrophobicContact CB-CD2 3.78Å; L67-F69 HydrophobicContact CB-CE2 3.6Å; L67-F69 HydrophobicContact CB-CZ 4.23Å; L67-F69 HydrophobicContact CD1-CD2 4.41Å; L67-F69 HydrophobicContact CD1-CE2 3.61Å; L67-F69 HydrophobicContact CD1-CZ 4.3Å; L67-F69 HydrophobicContact CG-CE2 4.16Å; L67-F69 PolarHBondContact O-N 3.35Å |
| 68 | D | 94.4 | Very high | 96.3 | Very high | 161 Ų | 161 | 58.1 Ų | 58.1 | 86% | 0.861 | 34% | 0.337 | S | S | * | . | trans | -90.8 | 78.1 | -179.9 | -169.2 | 24.5 | 0 | 0 | 0 | 110.2 | ||||
| 69 | F | 97.5 | Very high | 96.1 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | trans | -113.1 | 150 | 173.7 | -60.5 | -45.1 | 0 | 0 | 0 | 110.6 | L40 Y46 V58 K60 L67 | L40-F69 HydrophobicContact CD1-CE2 4.04Å; L40-F69 HydrophobicContact CD1-CZ 4.29Å; Y46-F69 HydrophobicContact CD2-CE1 4.07Å; Y46-F69 AromaticContact CD2-CZ 3.8Å; Y46-F69 HydrophobicContact CD2-CZ 3.8Å; Y46-F69 HydrophobicContact CE2-CE1 4.11Å; Y46-F69 HydrophobicContact CE2-CZ 4.32Å; Y46-F69 HydrophobicContact CG-CZ 4.08Å; V58-F69 HydrophobicContact CB-CD1 4.03Å; V58-F69 HydrophobicContact CB-CD2 4.25Å; V58-F69 HydrophobicContact CB-CE1 4.06Å; V58-F69 HydrophobicContact CB-CE2 4.26Å; V58-F69 HydrophobicContact CB-CG 4.13Å; V58-F69 HydrophobicContact CB-CZ 4.18Å; V58-F69 HydrophobicContact CG1-CD1 4.28Å; V58-F69 HydrophobicContact CG1-CD2 3.59Å; V58-F69 HydrophobicContact CG1-CE1 4.32Å; V58-F69 HydrophobicContact CG1-CE2 3.63Å; V58-F69 HydrophobicContact CG1-CG 3.94Å; V58-F69 HydrophobicContact CG1-CZ 4.01Å; V58-F69 HydrophobicContact CG2-CE1 4.42Å; V58-F69 HydrophobicContact CG2-CZ 4.41Å; K60-F69 HydrophobicContact CB-CB 3.99Å; K60-F69 WeakPolarHBondContact CB-O 3.19Å; L67-F69 HydrophobicContact CB-CD2 3.78Å; L67-F69 HydrophobicContact CB-CE2 3.6Å; L67-F69 HydrophobicContact CB-CZ 4.23Å; L67-F69 HydrophobicContact CD1-CD2 4.41Å; L67-F69 HydrophobicContact CD1-CE2 3.61Å; L67-F69 HydrophobicContact CD1-CZ 4.3Å; L67-F69 HydrophobicContact CG-CE2 4.16Å; L67-F69 PolarHBondContact O-N 3.35Å | ||
| 70 | P | 98 | Very high | 96.1 | Very high | 63 Ų | 63 | 71 Ų | 71 | 41% | 0.409 | 40% | 0.401 | S | S | . | . | trans | -69.6 | 150.4 | 174.2 | 30.6 | -35.9 | 0 | 0 | 0 | 111.1 | V59 K60 T72 K73 | V59-P70 CarbonylContact C-O 3.56Å; V59-P70 WeakPolarHBondContact CA-O 3.4Å; V59-P70 WeakPolarHBondContact CB-O 3.47Å; K60-P70 PolarHBondContact N-O 2.85Å; P70-T72 VanDerWaalsContact C-N 3.34Å; P70-K73 HydrophobicContact CG-CB 4.49Å | ||
| 71 | L | 97.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 71.4 Ų | 71.4 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -69.4 | -34 | 175.2 | -72.4 | 168.6 | 0 | 0 | 0 | 112.8 | K60 Q89 | K60-L71 HydrophobicContact CB-CD2 4.27Å; L71-Q89 PolarHBondContact O-NE2 3.35Å |
| 72 | T | 98.5 | Very high | 96.1 | Very high | 59 Ų | 59 | 71.8 Ų | 71.8 | 36% | 0.362 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.6 | -178.6 | -56.8 | 0 | 0 | 0 | 0 | 108.9 | P70 L84 I85 L106 | P70-T72 VanDerWaalsContact C-N 3.34Å; T72-L84 WeakPolarHBondContact CA-O 3.42Å; T72-I85 HydrophobicContact CG2-CG2 3.81Å; T72-L106 HydrophobicContact CG2-CD1 3.79Å; T72-L106 HydrophobicContact CG2-CD2 3.96Å |
| 73 | K | 98.6 | Very high | 96.3 | Very high | 69 Ų | 69 | 69.2 Ų | 69.2 | 30% | 0.3 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.3 | 173.8 | -167.7 | 170.4 | -170.1 | 177.1 | 0 | 110.1 | H57 V59 P70 L84 | H57-K73 HydrophobicContact CB-CD 4.15Å; H57-K73 WeakPolarHBondContact ND1-CE 3.4Å; H57-K73 PolarHBondContact ND1-NZ 3.31Å; V59-K73 HydrophobicContact CG1-CB 3.82Å; P70-K73 HydrophobicContact CG-CB 4.49Å; K73-L84 HydrophobicContact CB-CB 4.47Å; K73-L84 PolarHBondContact N-O 2.8Å; K73-L84 PolarHBondContact O-N 3Å |
| 74 | V | 98.7 | Very high | 96.4 | Very high | 63 Ų | 63 | 64.6 Ų | 64.6 | 38% | 0.382 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.8 | 169.7 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | K81 I82 L106 V108 | V74-K81 HydrophobicContact CG1-CD 4.31Å; V74-K81 HydrophobicContact CG1-CG 3.77Å; V74-I82 VanDerWaalsContact CA-O 3.32Å; V74-I82 WeakPolarHBondContact CA-O 3.37Å; V74-L106 HydrophobicContact CG2-CB 4.27Å; V74-L106 HydrophobicContact CG2-CD1 4.4Å; V74-L106 HydrophobicContact CG2-CD2 4.27Å; V74-V108 HydrophobicContact CG1-CG1 3.97Å; V74-V108 HydrophobicContact CG2-CG1 4.01Å |
| 75 | L | 98.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 160.6 | 179 | 68 | 154.1 | 0 | 0 | 0 | 110.7 | L35 V77 I82 | L35-L75 HydrophobicContact CD2-CD1 3.53Å; L35-L75 HydrophobicContact CD2-CD2 4.27Å; L75-V77 HydrophobicContact CD1-CG2 3.66Å; L75-V77 HydrophobicContact CG-CG2 4.29Å; L75-I82 HydrophobicContact CD2-CB 4.17Å; L75-I82 HydrophobicContact CD2-CG2 4.39Å; L75-I82 HydrophobicContact CG-CB 4.37Å; L75-I82 PolarHBondContact N-O 2.95Å; L75-I82 PolarHBondContact O-N 3.31Å |
| 76 | S | 97.9 | Very high | 96.9 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 66% | 0.657 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.5 | 173.7 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | F80 | S76-F80 CarbonylContact C-O 3.53Å; S76-F80 WeakPolarHBondContact CA-O 3.48Å |
| 77 | V | 96.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 107.3 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | M1 V3 L75 N79 F80 I82 | M1-V77 HydrophobicContact CE-CG1 3.32Å; M1-V77 HydrophobicContact SD-CG1 3.75Å; V3-V77 HydrophobicContact CG2-CG1 3.67Å; L75-V77 HydrophobicContact CD1-CG2 3.66Å; L75-V77 HydrophobicContact CG-CG2 4.29Å; V77-N79 PolarHBondContact O-N 3.09Å; V77-F80 PolarHBondContact N-O 2.78Å; V77-F80 PolarHBondContact O-N 3.34Å; V77-I82 HydrophobicContact CB-CD1 3.85Å; V77-I82 HydrophobicContact CG2-CD1 3.9Å |
| 78 | G | 94 | Very high | 97.5 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 58% | 0.577 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | -127.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 79 | N | 95.4 | Very high | 97.6 | Very high | 163 Ų | 163 | 48.7 Ų | 48.7 | 87% | 0.872 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 1.5 | 178.4 | -64.1 | -18.3 | 0 | 0 | 0 | 113.5 | V77 | V77-N79 PolarHBondContact O-N 3.09Š|
| 80 | F | 97.6 | Very high | 97.6 | Very high | 114 Ų | 114 | 47.8 Ų | 47.8 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.2 | -175.9 | -59.3 | -73 | 0 | 0 | 0 | 111 | S76 V77 I82 D109 I110 | S76-F80 CarbonylContact C-O 3.53Å; S76-F80 WeakPolarHBondContact CA-O 3.48Å; V77-F80 PolarHBondContact N-O 2.78Å; V77-F80 PolarHBondContact O-N 3.34Å; F80-I82 HydrophobicContact CB-CG1 4.31Å; F80-D109 WeakPolarHBondContact CA-OD2 3.46Å; F80-D109 HydrophobicContact CD1-CB 4.19Å; F80-I110 HydrophobicContact CB-CD1 4.12Å; F80-I110 HydrophobicContact CD1-CD1 4.21Å; F80-I110 HydrophobicContact CG-CD1 4.07Å |
| 81 | K | 98.5 | Very high | 97.4 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 27% | 0.27 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.8 | 165.6 | -171 | 173.8 | 161.8 | -158.6 | 0 | 108.2 | V74 L106 D107 V108 D109 I110 | V74-K81 HydrophobicContact CG1-CD 4.31Å; V74-K81 HydrophobicContact CG1-CG 3.77Å; K81-L106 WeakPolarHBondContact CE-O 3.1Å; K81-L106 PolarHBondContact NZ-O 3.15Å; K81-L106 VanDerWaalsContact NZ-O 3.16Å; K81-D107 WeakPolarHBondContact CD-O 3.47Å; K81-D107 WeakPolarHBondContact CE-O 3.45Å; K81-D107 PolarHBondContact NZ-O 3.25Å; K81-D107 IonicContact NZ-OD2 3.56Å; K81-D107 PolarHBondContact NZ-OD2 3.5Å; K81-V108 HydrophobicContact CG-CG1 4.1Å; K81-V108 CarbonylContact O-C 3.01Å; K81-V108 WeakPolarHBondContact O-CB 3.41Å; K81-D109 PolarHBondContact N-OD2 3.37Å; K81-D109 PolarHBondContact O-N 3.31Å; K81-I110 PolarHBondContact O-N 3.28Å |
| 82 | I | 98.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.6 | -173.3 | -54.9 | -177.2 | 0 | 0 | 0 | 108.9 | L35 V74 L75 V77 F80 I110 I112 | L35-I82 HydrophobicContact CD1-CD1 4.02Å; L35-I82 HydrophobicContact CD1-CG2 4.05Å; V74-I82 VanDerWaalsContact CA-O 3.32Å; V74-I82 WeakPolarHBondContact CA-O 3.37Å; L75-I82 HydrophobicContact CD2-CB 4.17Å; L75-I82 HydrophobicContact CD2-CG2 4.39Å; L75-I82 HydrophobicContact CG-CB 4.37Å; L75-I82 PolarHBondContact N-O 2.95Å; L75-I82 PolarHBondContact O-N 3.31Å; V77-I82 HydrophobicContact CB-CD1 3.85Å; V77-I82 HydrophobicContact CG2-CD1 3.9Å; F80-I82 HydrophobicContact CB-CG1 4.31Å; I82-I110 CarbonylContact C-O 3.6Å; I82-I110 WeakPolarHBondContact CA-O 3.4Å; I82-I110 HydrophobicContact CG1-CB 4.28Å; I82-I110 HydrophobicContact CG1-CD1 4.5Å; I82-I110 HydrophobicContact CG2-CB 4.49Å; I82-I112 HydrophobicContact CG2-CD1 3.58Å; I82-I112 HydrophobicContact CG2-CG1 3.88Å |
| 83 | G | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 133.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I110 I112 | G83-I110 PolarHBondContact N-O 2.98Å; G83-I112 PolarHBondContact O-N 3.41Å |
| 84 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.4 | 177.5 | -178.6 | 64.3 | 0 | 0 | 0 | 108.7 | L35 T37 H57 V59 T72 K73 I112 | L35-L84 HydrophobicContact CB-CD1 4.41Å; L35-L84 HydrophobicContact CB-CD2 4.29Å; T37-L84 HydrophobicContact CG2-CD1 3.79Å; H57-L84 HydrophobicContact CB-CD2 4.34Å; V59-L84 HydrophobicContact CB-CG 4.44Å; V59-L84 HydrophobicContact CG1-CB 4.22Å; V59-L84 HydrophobicContact CG1-CD2 3.95Å; V59-L84 HydrophobicContact CG1-CG 3.77Å; V59-L84 WeakPolarHBondContact CG1-O 3.47Å; V59-L84 HydrophobicContact CG2-CD1 4.42Å; V59-L84 HydrophobicContact CG2-CD2 4.32Å; V59-L84 HydrophobicContact CG2-CG 3.84Å; T72-L84 WeakPolarHBondContact CA-O 3.42Å; K73-L84 HydrophobicContact CB-CB 4.47Å; K73-L84 PolarHBondContact N-O 2.8Å; K73-L84 PolarHBondContact O-N 3Å; L84-I112 HydrophobicContact CD1-CB 3.85Å; L84-I112 HydrophobicContact CD1-CG2 3.69Å |
| 85 | I | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 164.2 | 174.1 | 55.5 | 154.4 | 0 | 0 | 0 | 110.5 | V59 T72 I90 L99 L102 L111 I112 | V59-I85 VanDerWaalsContact CG2-C 3.48Å; T72-I85 HydrophobicContact CG2-CG2 3.81Å; I85-I90 HydrophobicContact CD1-CD1 3.76Å; I85-I90 HydrophobicContact CD1-CG1 3.76Å; I85-L99 HydrophobicContact CD1-CD2 4.36Å; I85-L102 HydrophobicContact CD1-CD2 3.59Å; I85-L102 HydrophobicContact CG1-CD2 4.33Å; I85-L102 HydrophobicContact CG2-CD2 3.99Å; I85-L111 HydrophobicContact CG1-CD1 4.43Å; I85-I112 WeakPolarHBondContact CG1-O 3.43Å; I85-I112 PolarHBondContact N-O 3.08Å |
| 86 | H | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -75.6 | -43.5 | 172.3 | 178.8 | 45.9 | 0 | 0 | 0 | 112 | D8 T37 N39 K60 G61 D62 H88 G114 H115 | D8-H86 IonicContact OD1-CE1 3.06Å; D8-H86 PolarHBondContact OD1-CE1 2.94Å; T37-H86 WeakPolarHBondContact O-CA 3.28Å; T37-H86 WeakPolarHBondContact O-CB 3.36Å; T37-H86 PolarHBondContact O-ND1 2.96Å; N39-H86 PolarHBondContact ND2-CE1 2.78Å; N39-H86 PolarHBondContact ND2-NE2 3.14Å; K60-H86 WeakPolarHBondContact O-CB 3.48Å; G61-H86 VanDerWaalsContact CA-CD2 3.42Å; G61-H86 WeakPolarHBondContact CA-CD2 3.48Å; G61-H86 VanDerWaalsContact CA-CG 3.47Å; D62-H86 IonicContact OD1-CD2 3.19Å; D62-H86 IonicContact OD1-NE2 3.73Å; D62-H86 PolarHBondContact OD1-NE2 3.23Å; H86-H88 AromaticContact CD2-CG 3.72Å; H86-H88 AromaticContact CD2-ND1 3.16Å; H86-H88 PolarHBondContact CD2-ND1 3.31Å; H86-H88 AromaticContact CG-ND1 3.68Å; H86-G114 CarbonylContact O-C 3.55Å; H86-G114 WeakPolarHBondContact O-CA 3.35Å; H86-G114 PolarHBondContact O-N 2.99Å; H86-H115 AromaticContact CD2-ND1 3.78Å; H86-H115 AromaticContact CE1-ND1 3.97Å; H86-H115 WeakPolarHBondContact NE2-CB 3.37Å; H86-H115 AromaticContact NE2-CG 3.63Å; H86-H115 AromaticContact NE2-ND1 3.08Å; H86-H115 PolarHBondContact NE2-ND1 3.19Å; H86-H115 WeakPolarHBondContact O-CB 3.11Å; H86-H115 PolarHBondContact O-N 2.74Å | ||
| 87 | G | 97.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 111.4 | -24 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q89 I90 | G87-Q89 PolarHBondContact O-N 2.82Å; G87-Q89 VanDerWaalsContact O-N 3.11Å; G87-I90 WeakPolarHBondContact O-CB 3.41Å; G87-I90 PolarHBondContact O-N 2.85Å |
| 88 | H | 96.2 | Very high | 96.7 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.7 | 173.3 | 75.3 | -78.2 | 0 | 0 | 0 | 113.3 | D62 H86 I90 W93 | D62-H88 HydrophobicContact CB-CB 4.18Å; H86-H88 AromaticContact CD2-CG 3.72Å; H86-H88 AromaticContact CD2-ND1 3.16Å; H86-H88 PolarHBondContact CD2-ND1 3.31Å; H86-H88 AromaticContact CG-ND1 3.68Å; H88-I90 VanDerWaalsContact C-N 3.28Å; H88-I90 PolarHBondContact O-N 3.17Å; H88-W93 PolarHBondContact O-NE1 2.76Å |
| 89 | Q | 95.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.2 | 177.9 | -50.9 | 94.3 | -18.1 | 0 | 0 | 113.1 | L71 G87 | L71-Q89 PolarHBondContact O-NE2 3.35Å; G87-Q89 PolarHBondContact O-N 2.82Å; G87-Q89 VanDerWaalsContact O-N 3.11Å |
| 90 | I | 96.6 | Very high | 97 | Very high | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -85.9 | 131.4 | -175 | -55.4 | -61.6 | 0 | 0 | 0 | 109.9 | I85 G87 H88 P92 W93 L99 L102 | I85-I90 HydrophobicContact CD1-CD1 3.76Å; I85-I90 HydrophobicContact CD1-CG1 3.76Å; G87-I90 WeakPolarHBondContact O-CB 3.41Å; G87-I90 PolarHBondContact O-N 2.85Å; H88-I90 VanDerWaalsContact C-N 3.28Å; H88-I90 PolarHBondContact O-N 3.17Å; I90-P92 WeakPolarHBondContact CG2-O 3.48Å; I90-P92 CarbonylContact O-C 3.41Å; I90-W93 WeakPolarHBondContact O-CA 3.02Å; I90-W93 PolarHBondContact O-N 2.99Å; I90-L99 HydrophobicContact CD1-CD2 4.15Å; I90-L99 HydrophobicContact CG1-CD2 3.88Å; I90-L99 HydrophobicContact CG2-CD2 4.42Å; I90-L99 HydrophobicContact CG2-CG 4.37Å; I90-L102 HydrophobicContact CD1-CB 4.36Å; I90-L102 HydrophobicContact CD1-CD2 3.68Å |
| 91 | V | 94.8 | Very high | 97.1 | Very high | 113 Ų | 113 | 43.5 Ų | 43.5 | 69% | 0.685 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -125.1 | 126.7 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | S98 | V91-S98 PolarHBondContact O-OG 3.06Š|
| 92 | P | 95.1 | Very high | 97.1 | Very high | 81 Ų | 81 | 41.9 Ų | 41.9 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | S | Bend | cis | -63.3 | 150.8 | -13.8 | -17.2 | 31.6 | 0 | 0 | 0 | 112.3 | I90 G94 D95 | I90-P92 WeakPolarHBondContact CG2-O 3.48Å; I90-P92 CarbonylContact O-C 3.41Å; P92-G94 PolarHBondContact O-N 3.37Å; P92-D95 HydrophobicContact CB-CB 4.24Å; P92-D95 HydrophobicContact CG-CB 4.34Å; P92-D95 VanDerWaalsContact O-CB 3.28Å; P92-D95 WeakPolarHBondContact O-CB 3.19Å; P92-D95 PolarHBondContact O-N 3.41Å; P92-D95 VanDerWaalsContact O-N 3.09Å |
| 93 | W | 93.5 | Very high | 97 | Very high | 114 Ų | 114 | 41.6 Ų | 41.6 | 43% | 0.432 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 130.5 | 179.9 | -62.2 | -45.4 | 0 | 0 | 0 | 111.6 | H88 I90 D95 H115 F142 | H88-W93 PolarHBondContact O-NE1 2.76Å; I90-W93 WeakPolarHBondContact O-CA 3.02Å; I90-W93 PolarHBondContact O-N 2.99Å; W93-D95 PolarHBondContact O-N 2.99Å; W93-H115 AromaticContact CD1-CD2 3.91Å; W93-H115 AromaticContact CD1-NE2 3.99Å; W93-H115 AromaticContact CD2-CD2 3.98Å; W93-H115 AromaticContact CD2-NE2 3.56Å; W93-H115 AromaticContact CE2-NE2 3.57Å; W93-H115 AromaticContact CE3-NE2 3.87Å; W93-H115 AromaticContact CG-CD2 3.85Å; W93-H115 AromaticContact CG-NE2 3.93Å; W93-H115 AromaticContact CZ2-NE2 3.95Å; W93-H115 AromaticContact NE1-NE2 3.87Å; W93-F142 HydrophobicContact CB-CZ 4.49Å; W93-F142 HydrophobicContact CD2-CE2 4.4Å; W93-F142 HydrophobicContact CD2-CZ 4.34Å; W93-F142 HydrophobicContact CE3-CD2 4.24Å; W93-F142 HydrophobicContact CE3-CE1 4.29Å; W93-F142 AromaticContact CE3-CE2 3.18Å; W93-F142 HydrophobicContact CE3-CE2 3.18Å; W93-F142 AromaticContact CE3-CZ 3.24Å; W93-F142 HydrophobicContact CE3-CZ 3.24Å; W93-F142 AromaticContact CZ3-CE2 3.43Å; W93-F142 HydrophobicContact CZ3-CE2 3.43Å; W93-F142 VanDerWaalsContact CZ3-CE2 3.43Å; W93-F142 AromaticContact CZ3-CZ 3.8Å; W93-F142 HydrophobicContact CZ3-CZ 3.8Å |
| 94 | G | 93.5 | Very high | 97 | Very high | 26 Ų | 26 | 50 Ų | 50 | 27% | 0.268 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 4.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | P92 Q96 | P92-G94 PolarHBondContact O-N 3.37Å; G94-Q96 PolarHBondContact O-N 2.7Å |
| 95 | D | 95.8 | Very high | 97 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | trans | -66.7 | 125 | 178.1 | -178.7 | 82.2 | 0 | 0 | 0 | 111.6 | P92 W93 K97 S98 L99 | P92-D95 HydrophobicContact CB-CB 4.24Å; P92-D95 HydrophobicContact CG-CB 4.34Å; P92-D95 VanDerWaalsContact O-CB 3.28Å; P92-D95 WeakPolarHBondContact O-CB 3.19Å; P92-D95 PolarHBondContact O-N 3.41Å; P92-D95 VanDerWaalsContact O-N 3.09Å; W93-D95 PolarHBondContact O-N 2.99Å; D95-K97 VanDerWaalsContact C-N 3.31Å; D95-K97 PolarHBondContact O-N 3.24Å; D95-K97 WeakPolarHBondContact OD2-CA 3.45Å; D95-K97 WeakPolarHBondContact OD2-CB 3.43Å; D95-K97 PolarHBondContact OD2-N 3.13Å; D95-S98 PolarHBondContact O-N 2.98Å; D95-S98 PolarHBondContact OD2-N 3.36Å; D95-S98 PolarHBondContact OD2-OG 3.3Å; D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 WeakPolarHBondContact O-CG 3.48Å; D95-L99 PolarHBondContact O-N 3.45Å | ||
| 96 | Q | 97.1 | Very high | 97 | Very high | 78 Ų | 78 | 58.9 Ų | 58.9 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | -176.9 | -177.1 | 178.9 | 66.5 | 0 | 0 | 112.7 | G94 A100 Y122 Y124 | G94-Q96 PolarHBondContact O-N 2.7Å; Q96-A100 VanDerWaalsContact O-CB 3.3Å; Q96-A100 WeakPolarHBondContact O-CB 3.26Å; Q96-A100 PolarHBondContact O-N 2.99Å; Q96-Y122 HydrophobicContact CG-CE2 4.02Å; Q96-Y122 VanDerWaalsContact NE2-CE2 3.33Å; Q96-Y124 HydrophobicContact CG-CD1 4.13Å; Q96-Y124 HydrophobicContact CG-CD2 3.98Å; Q96-Y124 HydrophobicContact CG-CE1 4.37Å; Q96-Y124 HydrophobicContact CG-CE2 4.22Å; Q96-Y124 HydrophobicContact CG-CG 3.92Å |
| 97 | K | 97.7 | Very high | 96.9 | Very high | 151 Ų | 151 | 64 Ų | 64 | 66% | 0.657 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.8 | -39.1 | -179.1 | -66 | -179.9 | 179.8 | 176.1 | 0 | 111.3 | D95 A100 A101 | D95-K97 VanDerWaalsContact C-N 3.31Å; D95-K97 PolarHBondContact O-N 3.24Å; D95-K97 WeakPolarHBondContact OD2-CA 3.45Å; D95-K97 WeakPolarHBondContact OD2-CB 3.43Å; D95-K97 PolarHBondContact OD2-N 3.13Å; K97-A100 PolarHBondContact O-N 3.41Å; K97-A101 PolarHBondContact O-N 3.01Å |
| 98 | S | 98.1 | Very high | 97 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 174.2 | -65 | 0 | 0 | 0 | 0 | 111.5 | V91 D95 A101 L102 | V91-S98 PolarHBondContact O-OG 3.06Å; D95-S98 PolarHBondContact O-N 2.98Å; D95-S98 PolarHBondContact OD2-N 3.36Å; D95-S98 PolarHBondContact OD2-OG 3.3Å; S98-A101 WeakPolarHBondContact O-CB 3.12Å; S98-A101 PolarHBondContact O-N 2.77Å; S98-L102 PolarHBondContact O-N 2.95Å; S98-L102 VanDerWaalsContact O-N 3.12Å |
| 99 | L | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 172.1 | -73.5 | 169.4 | 0 | 0 | 0 | 111.7 | I85 I90 D95 A101 L102 Q103 L111 Y129 | I85-L99 HydrophobicContact CD1-CD2 4.36Å; I90-L99 HydrophobicContact CD1-CD2 4.15Å; I90-L99 HydrophobicContact CG1-CD2 3.88Å; I90-L99 HydrophobicContact CG2-CD2 4.42Å; I90-L99 HydrophobicContact CG2-CG 4.37Å; D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 WeakPolarHBondContact O-CG 3.48Å; D95-L99 PolarHBondContact O-N 3.45Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.19Å; L99-L102 PolarHBondContact O-N 3.07Å; L99-Q103 WeakPolarHBondContact O-CB 3.35Å; L99-Q103 PolarHBondContact O-N 3.39Å; L99-L111 HydrophobicContact CB-CD2 4.2Å; L99-L111 HydrophobicContact CD2-CD2 3.91Å; L99-L111 WeakPolarHBondContact O-CD2 3.21Å; L99-Y129 HydrophobicContact CB-CD1 4.16Å; L99-Y129 HydrophobicContact CB-CE1 4.07Å |
| 100 | A | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 63 Ų | 63 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.1 | -25.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q96 K97 R104 Y124 Y129 | Q96-A100 VanDerWaalsContact O-CB 3.3Å; Q96-A100 WeakPolarHBondContact O-CB 3.26Å; Q96-A100 PolarHBondContact O-N 2.99Å; K97-A100 PolarHBondContact O-N 3.41Å; A100-R104 WeakPolarHBondContact O-CG 3.44Å; A100-R104 PolarHBondContact O-N 2.75Å; A100-R104 PolarHBondContact O-NE 3.21Å; A100-Y124 HydrophobicContact CB-CD1 3.77Å; A100-Y124 HydrophobicContact CB-CE1 3.51Å; A100-Y129 WeakPolarHBondContact CA-OH 3.45Å |
| 101 | A | 98.2 | Very high | 97.4 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.7 | -47.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K97 S98 L99 R104 E105 | K97-A101 PolarHBondContact O-N 3.01Å; S98-A101 WeakPolarHBondContact O-CB 3.12Å; S98-A101 PolarHBondContact O-N 2.77Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.19Å; A101-R104 PolarHBondContact O-N 3.08Å; A101-E105 PolarHBondContact O-N 3.4Å |
| 102 | L | 98.3 | Very high | 97.6 | Very high | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 177.5 | -178.5 | 65.8 | 0 | 0 | 0 | 112.4 | I85 I90 S98 L99 R104 E105 L106 L111 | I85-L102 HydrophobicContact CD1-CD2 3.59Å; I85-L102 HydrophobicContact CG1-CD2 4.33Å; I85-L102 HydrophobicContact CG2-CD2 3.99Å; I90-L102 HydrophobicContact CD1-CB 4.36Å; I90-L102 HydrophobicContact CD1-CD2 3.68Å; S98-L102 PolarHBondContact O-N 2.95Å; S98-L102 VanDerWaalsContact O-N 3.12Å; L99-L102 PolarHBondContact O-N 3.07Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 3.44Å; L102-E105 WeakPolarHBondContact O-CB 3.03Å; L102-E105 PolarHBondContact O-N 2.91Å; L102-E105 VanDerWaalsContact O-N 3.15Å; L102-L106 HydrophobicContact CD1-CD1 4.09Å; L102-L106 HydrophobicContact CD1-CD2 4.47Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CD2-CD1 4.38Å; L102-L106 HydrophobicContact CG-CD1 3.96Å; L102-L106 HydrophobicContact CG-CG 4.22Å; L102-L106 WeakPolarHBondContact O-CG 3.49Å; L102-L106 PolarHBondContact O-N 3.12Å; L102-L111 HydrophobicContact CD2-CD1 4.49Å |
| 103 | Q | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.9 | -47.6 | 175.2 | 176.7 | -77.6 | -46.6 | 0 | 0 | 110.6 | L99 L106 D107 V108 L111 H127 Y129 | L99-Q103 WeakPolarHBondContact O-CB 3.35Å; L99-Q103 PolarHBondContact O-N 3.39Å; Q103-L106 PolarHBondContact O-N 2.84Å; Q103-D107 WeakPolarHBondContact O-CA 3.49Å; Q103-D107 PolarHBondContact O-N 3.23Å; Q103-V108 HydrophobicContact CB-CG2 4.49Å; Q103-V108 HydrophobicContact CG-CG2 3.99Å; Q103-V108 WeakPolarHBondContact CG-O 3.34Å; Q103-V108 PolarHBondContact NE2-O 3.11Å; Q103-V108 PolarHBondContact O-N 3.01Å; Q103-L111 HydrophobicContact CB-CB 4.33Å; Q103-L111 HydrophobicContact CB-CD2 4.12Å; Q103-L111 HydrophobicContact CG-CB 4.5Å; Q103-H127 VanDerWaalsContact CD-CD2 3.42Å; Q103-H127 VanDerWaalsContact CD-CG 3.49Å; Q103-H127 HydrophobicContact CG-CB 4.11Å; Q103-H127 PolarHBondContact NE2-CD2 2.85Å; Q103-H127 PolarHBondContact NE2-NE2 2.89Å; Q103-Y129 HydrophobicContact CB-CE1 3.95Å; Q103-Y129 WeakPolarHBondContact CB-OH 3.4Å; Q103-Y129 HydrophobicContact CG-CE1 4.34Å |
| 104 | R | 98.2 | Very high | 97.9 | Very high | 176 Ų | 176 | 48.2 Ų | 48.2 | 66% | 0.664 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.7 | -36 | 177.5 | -71.5 | -178.2 | -65.6 | 140.6 | -0.9 | 113.3 | A100 A101 L102 D107 | A100-R104 WeakPolarHBondContact O-CG 3.44Å; A100-R104 PolarHBondContact O-N 2.75Å; A100-R104 PolarHBondContact O-NE 3.21Å; A101-R104 PolarHBondContact O-N 3.08Å; L102-R104 VanDerWaalsContact C-N 3.27Å; L102-R104 PolarHBondContact O-N 3.44Å; R104-D107 PolarHBondContact O-N 2.83Å |
| 105 | E | 98.2 | Very high | 98.1 | Very high | 155 Ų | 155 | 47.8 Ų | 47.8 | 72% | 0.724 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.4 | -42.8 | 175.2 | -175.8 | -173.8 | 152.4 | 0 | 0 | 111.6 | A101 L102 D107 | A101-E105 PolarHBondContact O-N 3.4Å; L102-E105 WeakPolarHBondContact O-CB 3.03Å; L102-E105 PolarHBondContact O-N 2.91Å; L102-E105 VanDerWaalsContact O-N 3.15Å; E105-D107 VanDerWaalsContact C-N 3.34Å |
| 106 | L | 98.2 | Very high | 98.1 | Very high | 32 Ų | 32 | 45.5 Ų | 45.5 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -80.5 | -17.3 | 178.4 | -61.2 | -179.5 | 0 | 0 | 0 | 113.2 | T72 V74 K81 L102 Q103 V108 L111 | T72-L106 HydrophobicContact CG2-CD1 3.79Å; T72-L106 HydrophobicContact CG2-CD2 3.96Å; V74-L106 HydrophobicContact CG2-CB 4.27Å; V74-L106 HydrophobicContact CG2-CD1 4.4Å; V74-L106 HydrophobicContact CG2-CD2 4.27Å; K81-L106 WeakPolarHBondContact CE-O 3.1Å; K81-L106 PolarHBondContact NZ-O 3.15Å; K81-L106 VanDerWaalsContact NZ-O 3.16Å; L102-L106 HydrophobicContact CD1-CD1 4.09Å; L102-L106 HydrophobicContact CD1-CD2 4.47Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CD2-CD1 4.38Å; L102-L106 HydrophobicContact CG-CD1 3.96Å; L102-L106 HydrophobicContact CG-CG 4.22Å; L102-L106 WeakPolarHBondContact O-CG 3.49Å; L102-L106 PolarHBondContact O-N 3.12Å; Q103-L106 PolarHBondContact O-N 2.84Å; L106-V108 HydrophobicContact CB-CG1 3.72Å; L106-V108 HydrophobicContact CB-CG2 4.22Å; L106-L111 HydrophobicContact CD1-CD1 4.21Å |
| 107 | D | 98.3 | Very high | 98.1 | Very high | 109 Ų | 109 | 42.2 Ų | 42.2 | 58% | 0.583 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 54.8 | -177.2 | 174.8 | 59.5 | 0 | 0 | 0 | 111 | K81 Q103 R104 E105 | K81-D107 WeakPolarHBondContact CD-O 3.47Å; K81-D107 WeakPolarHBondContact CE-O 3.45Å; K81-D107 PolarHBondContact NZ-O 3.25Å; K81-D107 IonicContact NZ-OD2 3.56Å; K81-D107 PolarHBondContact NZ-OD2 3.5Å; Q103-D107 WeakPolarHBondContact O-CA 3.49Å; Q103-D107 PolarHBondContact O-N 3.23Å; R104-D107 PolarHBondContact O-N 2.83Å; E105-D107 VanDerWaalsContact C-N 3.34Å |
| 108 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -113.9 | 141.3 | -174.1 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | V74 K81 Q103 L106 L111 H127 | V74-V108 HydrophobicContact CG1-CG1 3.97Å; V74-V108 HydrophobicContact CG2-CG1 4.01Å; K81-V108 HydrophobicContact CG-CG1 4.1Å; K81-V108 CarbonylContact O-C 3.01Å; K81-V108 WeakPolarHBondContact O-CB 3.41Å; Q103-V108 HydrophobicContact CB-CG2 4.49Å; Q103-V108 HydrophobicContact CG-CG2 3.99Å; Q103-V108 WeakPolarHBondContact CG-O 3.34Å; Q103-V108 PolarHBondContact NE2-O 3.11Å; Q103-V108 PolarHBondContact O-N 3.01Å; L106-V108 HydrophobicContact CB-CG1 3.72Å; L106-V108 HydrophobicContact CB-CG2 4.22Å; V108-L111 HydrophobicContact CG2-CB 4.29Å; V108-L111 HydrophobicContact CG2-CD1 4.34Å; V108-H127 PolarHBondContact O-CD2 2.76Å; V108-H127 VanDerWaalsContact O-CD2 3.25Å | ||
| 109 | D | 98.6 | Very high | 97.9 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -68.7 | -37.1 | 176 | -53.5 | -59.7 | 0 | 0 | 0 | 111.9 | F80 K81 F128 | F80-D109 WeakPolarHBondContact CA-OD2 3.46Å; F80-D109 HydrophobicContact CD1-CB 4.19Å; K81-D109 PolarHBondContact N-OD2 3.37Å; K81-D109 PolarHBondContact O-N 3.31Å; D109-F128 PolarHBondContact O-N 3.32Å |
| 110 | I | 98.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.138 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.2 | -178 | -51 | 179.1 | 0 | 0 | 0 | 109.1 | F80 K81 I82 G83 I112 F128 I130 | F80-I110 HydrophobicContact CB-CD1 4.12Å; F80-I110 HydrophobicContact CD1-CD1 4.21Å; F80-I110 HydrophobicContact CG-CD1 4.07Å; K81-I110 PolarHBondContact O-N 3.28Å; I82-I110 CarbonylContact C-O 3.6Å; I82-I110 WeakPolarHBondContact CA-O 3.4Å; I82-I110 HydrophobicContact CG1-CB 4.28Å; I82-I110 HydrophobicContact CG1-CD1 4.5Å; I82-I110 HydrophobicContact CG2-CB 4.49Å; G83-I110 PolarHBondContact N-O 2.98Å; I110-I112 HydrophobicContact CG2-CG1 4.13Å; I110-F128 CarbonylContact C-O 3.6Å; I110-F128 VanDerWaalsContact CA-O 3.24Å; I110-F128 WeakPolarHBondContact CA-O 3.49Å; I110-F128 HydrophobicContact CG1-CB 4.17Å; I110-F128 HydrophobicContact CG2-CB 4.39Å; I110-I130 HydrophobicContact CG2-CD1 3.97Å; I110-I130 HydrophobicContact CG2-CG1 4.31Å |
| 111 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.9 | 171 | -174.9 | 67.3 | 0 | 0 | 0 | 110.4 | I85 L99 L102 Q103 L106 V108 F128 Y129 I130 | I85-L111 HydrophobicContact CG1-CD1 4.43Å; L99-L111 HydrophobicContact CB-CD2 4.2Å; L99-L111 HydrophobicContact CD2-CD2 3.91Å; L99-L111 WeakPolarHBondContact O-CD2 3.21Å; L102-L111 HydrophobicContact CD2-CD1 4.49Å; Q103-L111 HydrophobicContact CB-CB 4.33Å; Q103-L111 HydrophobicContact CB-CD2 4.12Å; Q103-L111 HydrophobicContact CG-CB 4.5Å; L106-L111 HydrophobicContact CD1-CD1 4.21Å; V108-L111 HydrophobicContact CG2-CB 4.29Å; V108-L111 HydrophobicContact CG2-CD1 4.34Å; L111-F128 PolarHBondContact N-O 2.99Å; L111-Y129 HydrophobicContact CB-CD1 3.93Å; L111-Y129 HydrophobicContact CB-CE1 4.07Å; L111-Y129 HydrophobicContact CD2-CD1 4.14Å; L111-Y129 HydrophobicContact CD2-CE1 4Å; L111-Y129 WeakPolarHBondContact O-CA 3.38Å; L111-I130 PolarHBondContact O-N 3.17Å |
| 112 | I | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.2 | 177.1 | -55.1 | -178.8 | 0 | 0 | 0 | 109 | V5 L35 T37 I82 G83 L84 I85 I110 I130 | V5-I112 HydrophobicContact CG1-CD1 4.13Å; V5-I112 HydrophobicContact CG1-CG2 3.42Å; V5-I112 VanDerWaalsContact CG1-CG2 3.42Å; V5-I112 HydrophobicContact CG2-CD1 3.83Å; L35-I112 HydrophobicContact CB-CD1 4.34Å; L35-I112 HydrophobicContact CD1-CD1 3.51Å; T37-I112 HydrophobicContact CG2-CG2 3.63Å; I82-I112 HydrophobicContact CG2-CD1 3.58Å; I82-I112 HydrophobicContact CG2-CG1 3.88Å; G83-I112 PolarHBondContact O-N 3.41Å; L84-I112 HydrophobicContact CD1-CB 3.85Å; L84-I112 HydrophobicContact CD1-CG2 3.69Å; I85-I112 WeakPolarHBondContact CG1-O 3.43Å; I85-I112 PolarHBondContact N-O 3.08Å; I110-I112 HydrophobicContact CG2-CG1 4.13Å; I112-I130 WeakPolarHBondContact CA-O 3.46Å; I112-I130 HydrophobicContact CG1-CB 4.27Å |
| 113 | S | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | trans | -131.3 | 167.1 | 176.6 | 63 | 0 | 0 | 0 | 0 | 110.8 | I130 N131 P132 | S113-I130 PolarHBondContact N-O 3.15Å; S113-N131 VanDerWaalsContact O-CA 3.24Å; S113-N131 WeakPolarHBondContact O-CA 3.4Å; S113-P132 WeakPolarHBondContact O-CD 3.47Å | ||
| 114 | G | 97.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | trans | -136.3 | -134.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | H86 T116 N131 | H86-G114 CarbonylContact O-C 3.55Å; H86-G114 WeakPolarHBondContact O-CA 3.35Å; H86-G114 PolarHBondContact O-N 2.99Å; G114-T116 PolarHBondContact O-N 3.06Å; G114-N131 PolarHBondContact O-ND2 3.27Å | ||
| 115 | H | 97.2 | Very high | 97.7 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 71 | -41 | 170.4 | -172.1 | 69 | 0 | 0 | 0 | 115.6 | D8 D62 H86 W93 H117 | D8-H115 PolarHBondContact OD2-N 3.09Å; D62-H115 IonicContact OD1-ND1 3.85Å; D62-H115 IonicContact OD2-CE1 3.74Å; D62-H115 PolarHBondContact OD2-CE1 2.67Å; D62-H115 IonicContact OD2-ND1 3.41Å; H86-H115 AromaticContact CD2-ND1 3.78Å; H86-H115 AromaticContact CE1-ND1 3.97Å; H86-H115 WeakPolarHBondContact NE2-CB 3.37Å; H86-H115 AromaticContact NE2-CG 3.63Å; H86-H115 AromaticContact NE2-ND1 3.08Å; H86-H115 PolarHBondContact NE2-ND1 3.19Å; H86-H115 WeakPolarHBondContact O-CB 3.11Å; H86-H115 PolarHBondContact O-N 2.74Å; W93-H115 AromaticContact CD1-CD2 3.91Å; W93-H115 AromaticContact CD1-NE2 3.99Å; W93-H115 AromaticContact CD2-CD2 3.98Å; W93-H115 AromaticContact CD2-NE2 3.56Å; W93-H115 AromaticContact CE2-NE2 3.57Å; W93-H115 AromaticContact CE3-NE2 3.87Å; W93-H115 AromaticContact CG-CD2 3.85Å; W93-H115 AromaticContact CG-NE2 3.93Å; W93-H115 AromaticContact CZ2-NE2 3.95Å; W93-H115 AromaticContact NE1-NE2 3.87Å; H115-H117 PolarHBondContact O-CD2 2.84Å; H115-H117 VanDerWaalsContact O-CD2 3.23Å; H115-H117 PolarHBondContact O-N 3.43Å |
| 116 | T | 96.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -73 | -15.6 | -179.9 | 67.6 | 0 | 0 | 0 | 0 | 113 | G114 K118 N131 | G114-T116 PolarHBondContact O-N 3.06Å; T116-K118 PolarHBondContact O-N 3.37Å; T116-K118 VanDerWaalsContact O-N 3.13Å; T116-K118 PolarHBondContact OG1-N 3.1Å; T116-N131 PolarHBondContact OG1-ND2 2.92Å |
| 117 | H | 96.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | trans | 60.6 | 7.1 | -172.2 | -66 | -154.8 | 0 | 0 | 0 | 114.8 | D8 H10 H115 G133 S134 A138 S140 | D8-H117 IonicContact OD1-CD2 2.65Å; D8-H117 IonicContact OD1-NE2 3.53Å; D8-H117 IonicContact OD2-CD2 3.8Å; H10-H117 AromaticContact CD2-CE1 3.7Å; H10-H117 AromaticContact CD2-NE2 3.85Å; H10-H117 AromaticContact NE2-CE1 3.65Å; H10-H117 AromaticContact NE2-NE2 3.39Å; H10-H117 PolarHBondContact NE2-NE2 3.42Å; H115-H117 PolarHBondContact O-CD2 2.84Å; H115-H117 VanDerWaalsContact O-CD2 3.23Å; H115-H117 PolarHBondContact O-N 3.43Å; H117-G133 VanDerWaalsContact C-CA 3.48Å; H117-G133 WeakPolarHBondContact O-CA 3.37Å; H117-S134 PolarHBondContact O-N 3.34Å; H117-A138 PolarHBondContact CE1-O 3.22Å; H117-A138 PolarHBondContact ND1-O 3.19Å; H117-S140 VanDerWaalsContact CG-CB 3.4Å; H117-S140 WeakPolarHBondContact ND1-CB 3.24Å | ||
| 118 | K | 95 | Very high | 97.6 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | trans | -101.6 | 129.9 | -179.8 | -66.1 | -178.6 | -174.8 | 179.2 | 0 | 110.4 | T116 E120 N131 F142 | T116-K118 PolarHBondContact O-N 3.37Å; T116-K118 VanDerWaalsContact O-N 3.13Å; T116-K118 PolarHBondContact OG1-N 3.1Å; K118-E120 PolarHBondContact O-N 2.81Å; K118-N131 WeakPolarHBondContact O-CB 3.36Å; K118-N131 PolarHBondContact O-OD1 2.82Å; K118-F142 WeakPolarHBondContact CE-O 3.2Å; K118-F142 PolarHBondContact NZ-O 3.04Å | ||
| 119 | F | 96.5 | Very high | 97.6 | Very high | 152 Ų | 152 | 54.3 Ų | 54.3 | 67% | 0.667 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 125.3 | 173.1 | 173.4 | -98.2 | 0 | 0 | 0 | 110.3 | A121 N131 | F119-A121 HydrophobicContact CE1-CB 4.32Å; F119-A121 HydrophobicContact CE2-CB 4.41Å; F119-A121 HydrophobicContact CZ-CB 3.79Å; F119-N131 VanDerWaalsContact CA-O 3.32Å; F119-N131 WeakPolarHBondContact CA-O 3.42Å; F119-N131 WeakPolarHBondContact CD2-O 3.43Å |
| 120 | E | 97.2 | Very high | 97.6 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 136.9 | 174.6 | -62.5 | -176.5 | 121.9 | 0 | 0 | 109.1 | K118 Y122 I130 N131 | K118-E120 PolarHBondContact O-N 2.81Å; E120-Y122 HydrophobicContact CB-CD1 4.19Å; E120-Y122 HydrophobicContact CB-CE1 4.19Å; E120-I130 CarbonylContact O-C 3.52Å; E120-I130 WeakPolarHBondContact O-CA 3.46Å; E120-N131 HydrophobicContact CB-CB 4.05Å; E120-N131 PolarHBondContact N-O 3.39Å; E120-N131 PolarHBondContact O-N 3.27Å |
| 121 | A | 98.2 | Very high | 97.6 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 110 | 172 | 0 | 0 | 0 | 0 | 0 | 108 | F119 F128 Y129 | F119-A121 HydrophobicContact CE1-CB 4.32Å; F119-A121 HydrophobicContact CE2-CB 4.41Å; F119-A121 HydrophobicContact CZ-CB 3.79Å; A121-F128 HydrophobicContact CB-CE1 4.35Å; A121-F128 HydrophobicContact CB-CZ 4.34Å; A121-Y129 WeakPolarHBondContact CA-O 3.41Å |
| 122 | Y | 98.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 158.7 | -174 | 63.4 | -92.8 | 0 | 0 | 0 | 112.1 | Q96 E120 Y129 | Q96-Y122 HydrophobicContact CG-CE2 4.02Å; Q96-Y122 VanDerWaalsContact NE2-CE2 3.33Å; E120-Y122 HydrophobicContact CB-CD1 4.19Å; E120-Y122 HydrophobicContact CB-CE1 4.19Å; Y122-Y129 HydrophobicContact CD2-CD2 4.15Å; Y122-Y129 HydrophobicContact CD2-CG 4.45Å; Y122-Y129 AromaticContact CE2-CD2 3.73Å; Y122-Y129 HydrophobicContact CE2-CD2 3.73Å; Y122-Y129 AromaticContact CE2-CG 3.78Å; Y122-Y129 HydrophobicContact CE2-CG 3.78Å; Y122-Y129 AromaticContact CZ-CG 3.99Å; Y122-Y129 PolarHBondContact N-O 2.95Å; Y122-Y129 PolarHBondContact O-N 3.4Å |
| 123 | E | 98.3 | Very high | 97.5 | Very high | 134 Ų | 134 | 52.8 Ų | 52.8 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137.9 | 170.6 | -167.6 | -177.9 | 158.9 | 0 | 0 | 109.8 | H127 F128 | E123-H127 CarbonylContact C-O 3.41Å; E123-H127 WeakPolarHBondContact CA-O 3.37Å; E123-F128 HydrophobicContact CB-CD2 4.21Å |
| 124 | Y | 98.2 | Very high | 97.4 | Very high | 78 Ų | 78 | 53.5 Ų | 53.5 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 128.2 | 173.9 | 176.8 | -97.9 | 0 | 0 | 0 | 110 | Q96 A100 E126 H127 Y129 | Q96-Y124 HydrophobicContact CG-CD1 4.13Å; Q96-Y124 HydrophobicContact CG-CD2 3.98Å; Q96-Y124 HydrophobicContact CG-CE1 4.37Å; Q96-Y124 HydrophobicContact CG-CE2 4.22Å; Q96-Y124 HydrophobicContact CG-CG 3.92Å; A100-Y124 HydrophobicContact CB-CD1 3.77Å; A100-Y124 HydrophobicContact CB-CE1 3.51Å; Y124-E126 VanDerWaalsContact C-N 3.29Å; Y124-E126 PolarHBondContact O-N 3.02Å; Y124-H127 PolarHBondContact N-O 2.71Å; Y124-H127 PolarHBondContact O-N 3.39Å; Y124-H127 VanDerWaalsContact O-N 3.14Å; Y124-Y129 HydrophobicContact CD1-CE2 4.36Å; Y124-Y129 WeakPolarHBondContact O-CE2 3.36Å |
| 125 | A | 95.2 | Very high | 97.4 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 55% | 0.554 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 47.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H127 | A125-H127 PolarHBondContact O-N 3.44Å; A125-H127 PolarHBondContact O-ND1 2.86Å |
| 126 | E | 97 | Very high | 97.3 | Very high | 174 Ų | 174 | 54.4 Ų | 54.4 | 81% | 0.813 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 10.2 | 178.4 | -54.8 | 174.4 | -166.3 | 0 | 0 | 115.4 | Y124 | Y124-E126 VanDerWaalsContact C-N 3.29Å; Y124-E126 PolarHBondContact O-N 3.02Å |
| 127 | H | 98.5 | Very high | 97.2 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 154.4 | 177.2 | -59.9 | 82.7 | 0 | 0 | 0 | 110.9 | Q103 V108 E123 Y124 A125 Y129 | Q103-H127 VanDerWaalsContact CD-CD2 3.42Å; Q103-H127 VanDerWaalsContact CD-CG 3.49Å; Q103-H127 HydrophobicContact CG-CB 4.11Å; Q103-H127 PolarHBondContact NE2-CD2 2.85Å; Q103-H127 PolarHBondContact NE2-NE2 2.89Å; V108-H127 PolarHBondContact O-CD2 2.76Å; V108-H127 VanDerWaalsContact O-CD2 3.25Å; E123-H127 CarbonylContact C-O 3.41Å; E123-H127 WeakPolarHBondContact CA-O 3.37Å; Y124-H127 PolarHBondContact N-O 2.71Å; Y124-H127 PolarHBondContact O-N 3.39Å; Y124-H127 VanDerWaalsContact O-N 3.14Å; A125-H127 PolarHBondContact O-N 3.44Å; A125-H127 PolarHBondContact O-ND1 2.86Å; H127-Y129 HydrophobicContact CB-CE2 3.95Å; H127-Y129 WeakPolarHBondContact O-CD2 3.16Å; H127-Y129 WeakPolarHBondContact O-CE2 3.02Å |
| 128 | F | 98.5 | Very high | 97.1 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.6 | -176.4 | -152.2 | -102.7 | 0 | 0 | 0 | 111.8 | D109 I110 L111 A121 E123 I130 | D109-F128 PolarHBondContact O-N 3.32Å; I110-F128 CarbonylContact C-O 3.6Å; I110-F128 VanDerWaalsContact CA-O 3.24Å; I110-F128 WeakPolarHBondContact CA-O 3.49Å; I110-F128 HydrophobicContact CG1-CB 4.17Å; I110-F128 HydrophobicContact CG2-CB 4.39Å; L111-F128 PolarHBondContact N-O 2.99Å; A121-F128 HydrophobicContact CB-CE1 4.35Å; A121-F128 HydrophobicContact CB-CZ 4.34Å; E123-F128 HydrophobicContact CB-CD2 4.21Å; F128-I130 HydrophobicContact CD1-CD1 3.89Å; F128-I130 HydrophobicContact CD1-CG1 3.64Å; F128-I130 HydrophobicContact CE1-CD1 3.96Å; F128-I130 HydrophobicContact CE1-CG1 3.69Å |
| 129 | Y | 98.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.9 | -177.5 | -61.9 | -98.9 | 0 | 0 | 0 | 109.3 | L99 A100 Q103 L111 A121 Y122 Y124 H127 | L99-Y129 HydrophobicContact CB-CD1 4.16Å; L99-Y129 HydrophobicContact CB-CE1 4.07Å; A100-Y129 WeakPolarHBondContact CA-OH 3.45Å; Q103-Y129 HydrophobicContact CB-CE1 3.95Å; Q103-Y129 WeakPolarHBondContact CB-OH 3.4Å; Q103-Y129 HydrophobicContact CG-CE1 4.34Å; L111-Y129 HydrophobicContact CB-CD1 3.93Å; L111-Y129 HydrophobicContact CB-CE1 4.07Å; L111-Y129 HydrophobicContact CD2-CD1 4.14Å; L111-Y129 HydrophobicContact CD2-CE1 4Å; L111-Y129 WeakPolarHBondContact O-CA 3.38Å; A121-Y129 WeakPolarHBondContact CA-O 3.41Å; Y122-Y129 HydrophobicContact CD2-CD2 4.15Å; Y122-Y129 HydrophobicContact CD2-CG 4.45Å; Y122-Y129 AromaticContact CE2-CD2 3.73Å; Y122-Y129 HydrophobicContact CE2-CD2 3.73Å; Y122-Y129 AromaticContact CE2-CG 3.78Å; Y122-Y129 HydrophobicContact CE2-CG 3.78Å; Y122-Y129 AromaticContact CZ-CG 3.99Å; Y122-Y129 PolarHBondContact N-O 2.95Å; Y122-Y129 PolarHBondContact O-N 3.4Å; Y124-Y129 HydrophobicContact CD1-CE2 4.36Å; Y124-Y129 WeakPolarHBondContact O-CE2 3.36Å; H127-Y129 HydrophobicContact CB-CE2 3.95Å; H127-Y129 WeakPolarHBondContact O-CD2 3.16Å; H127-Y129 WeakPolarHBondContact O-CE2 3.02Å |
| 130 | I | 98.7 | Very high | 96.5 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.4 | -178 | -56.2 | 176.1 | 0 | 0 | 0 | 109.8 | V5 I110 L111 I112 S113 E120 F128 | V5-I130 HydrophobicContact CG1-CG2 4.32Å; I110-I130 HydrophobicContact CG2-CD1 3.97Å; I110-I130 HydrophobicContact CG2-CG1 4.31Å; L111-I130 PolarHBondContact O-N 3.17Å; I112-I130 WeakPolarHBondContact CA-O 3.46Å; I112-I130 HydrophobicContact CG1-CB 4.27Å; S113-I130 PolarHBondContact N-O 3.15Å; E120-I130 CarbonylContact O-C 3.52Å; E120-I130 WeakPolarHBondContact O-CA 3.46Å; F128-I130 HydrophobicContact CD1-CD1 3.89Å; F128-I130 HydrophobicContact CD1-CG1 3.64Å; F128-I130 HydrophobicContact CE1-CD1 3.96Å; F128-I130 HydrophobicContact CE1-CG1 3.69Å |
| 131 | N | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 117.8 | 162.1 | -166.2 | -40.7 | 0 | 0 | 0 | 109.2 | S113 G114 T116 K118 F119 E120 G133 | S113-N131 VanDerWaalsContact O-CA 3.24Å; S113-N131 WeakPolarHBondContact O-CA 3.4Å; G114-N131 PolarHBondContact O-ND2 3.27Å; T116-N131 PolarHBondContact OG1-ND2 2.92Å; K118-N131 WeakPolarHBondContact O-CB 3.36Å; K118-N131 PolarHBondContact O-OD1 2.82Å; F119-N131 VanDerWaalsContact CA-O 3.32Å; F119-N131 WeakPolarHBondContact CA-O 3.42Å; F119-N131 WeakPolarHBondContact CD2-O 3.43Å; E120-N131 HydrophobicContact CB-CB 4.05Å; E120-N131 PolarHBondContact N-O 3.39Å; E120-N131 PolarHBondContact O-N 3.27Å; N131-G133 PolarHBondContact O-N 2.84Å; N131-G133 PolarHBondContact OD1-N 3.1Å |
| 132 | P | 97.9 | Very high | 94.4 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 20% | 0.195 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -10.2 | -178.6 | 31.9 | -35.2 | 0 | 0 | 0 | 113 | V5 T37 S113 | V5-P132 HydrophobicContact CB-CB 4.49Å; V5-P132 HydrophobicContact CG1-CB 4.02Å; V5-P132 HydrophobicContact CG1-CG 3.97Å; T37-P132 HydrophobicContact CG2-CG 4.16Å; S113-P132 WeakPolarHBondContact O-CD 3.47Å |
| 133 | G | 96.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | 65.6 | -161.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H117 N131 | H117-G133 VanDerWaalsContact C-CA 3.48Å; H117-G133 WeakPolarHBondContact O-CA 3.37Å; N131-G133 PolarHBondContact O-N 2.84Å; N131-G133 PolarHBondContact OD1-N 3.1Å | ||
| 134 | S | 97 | Very high | 90.4 | Very high | 22 Ų | 22 | 62 Ų | 62 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | trans | -86.2 | 124.1 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 112.6 | D8 H117 T136 G137 A138 | D8-S134 PolarHBondContact O-OG 3.38Å; H117-S134 PolarHBondContact O-N 3.34Å; S134-T136 PolarHBondContact O-N 3.49Å; S134-T136 PolarHBondContact OG-N 2.9Å; S134-T136 PolarHBondContact OG-OG1 2.7Å; S134-G137 PolarHBondContact O-N 3.31Å; S134-G137 PolarHBondContact OG-N 2.73Å; S134-G137 VanDerWaalsContact OG-N 3.13Å; S134-A138 PolarHBondContact OG-N 2.91Å | ||
| 135 | A | 97.1 | Very high | 90 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I6 G7 F9 L18 | I6-A135 HydrophobicContact CD1-CB 3.97Å; I6-A135 HydrophobicContact CG1-CB 3.63Å; G7-A135 VanDerWaalsContact O-CB 3.26Å; G7-A135 WeakPolarHBondContact O-CB 3.36Å; G7-A135 PolarHBondContact O-N 3.16Å; F9-A135 HydrophobicContact CD1-CB 3.87Å; F9-A135 HydrophobicContact CD2-CB 4.3Å; F9-A135 HydrophobicContact CE1-CB 3.76Å; F9-A135 HydrophobicContact CE2-CB 4.21Å; F9-A135 HydrophobicContact CG-CB 4.17Å; F9-A135 HydrophobicContact CZ-CB 3.96Å; L18-A135 HydrophobicContact CD2-CB 3.9Å; L18-A135 VanDerWaalsContact CD2-O 3.3Å; L18-A135 WeakPolarHBondContact CD2-O 3.42Å |
| 136 | T | 96.3 | Very high | 89.7 | Confident | 20 Ų | 20 | 60.9 Ų | 60.9 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -0.9 | -174.3 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | F9 I11 K15 L18 S134 A138 | F9-T136 HydrophobicContact CB-CG2 4.38Å; F9-T136 HydrophobicContact CD1-CG2 4.22Å; F9-T136 WeakPolarHBondContact O-CG2 3.33Å; F9-T136 PolarHBondContact O-OG1 2.98Å; I11-T136 HydrophobicContact CD1-CG2 3.76Å; I11-T136 HydrophobicContact CG1-CG2 4.11Å; K15-T136 HydrophobicContact CB-CG2 4.36Å; K15-T136 WeakPolarHBondContact CE-O 3.48Å; K15-T136 WeakPolarHBondContact CG-OG1 3.43Å; L18-T136 HydrophobicContact CD2-CG2 3.71Å; L18-T136 HydrophobicContact CG-CG2 4.42Å; S134-T136 PolarHBondContact O-N 3.49Å; S134-T136 PolarHBondContact OG-N 2.9Å; S134-T136 PolarHBondContact OG-OG1 2.7Å; T136-A138 PolarHBondContact O-N 3.22Å; T136-A138 PolarHBondContact OG1-N 3.27Å |
| 137 | G | 94 | Very high | 89.3 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | trans | 56.7 | 37.8 | -168 | 0 | 0 | 0 | 0 | 0 | 111.6 | K15 S134 | K15-G137 WeakPolarHBondContact CE-O 3.37Å; K15-G137 PolarHBondContact NZ-O 3.26Å; S134-G137 PolarHBondContact O-N 3.31Å; S134-G137 PolarHBondContact OG-N 2.73Å; S134-G137 VanDerWaalsContact OG-N 3.13Å | ||
| 138 | A | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -61.7 | 143.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | H10 R14 K15 H117 S134 T136 S140 | H10-A138 HydrophobicContact CB-CB 4.11Å; R14-A138 HydrophobicContact CB-CB 4.02Å; K15-A138 HydrophobicContact CG-CB 4.04Å; H117-A138 PolarHBondContact CE1-O 3.22Å; H117-A138 PolarHBondContact ND1-O 3.19Å; S134-A138 PolarHBondContact OG-N 2.91Å; T136-A138 PolarHBondContact O-N 3.22Å; T136-A138 PolarHBondContact OG1-N 3.27Å; A138-S140 PolarHBondContact O-N 2.84Å | ||
| 139 | Y | 90.2 | Very high | 88.1 | Confident | 162 Ų | 162 | 53.5 Ų | 53.5 | 64% | 0.635 | 28% | 0.275 | S | S | * | . | trans | -57.6 | 136.3 | 176.3 | 170.4 | -100 | 0 | 0 | 0 | 110.6 | R14 | R14-Y139 PolarHBondContact NH1-O 3.15Š| ||
| 140 | S | 87.9 | Confident | 87.4 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | trans | -132.1 | 141.6 | 165.8 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | H117 A138 F142 E143 | H117-S140 VanDerWaalsContact CG-CB 3.4Å; H117-S140 WeakPolarHBondContact ND1-CB 3.24Å; A138-S140 PolarHBondContact O-N 2.84Å; S140-F142 PolarHBondContact O-N 2.91Å; S140-F142 PolarHBondContact OG-N 3.36Å; S140-E143 PolarHBondContact O-N 3.33Å; S140-E143 VanDerWaalsContact O-N 3.14Å | ||
| 141 | P | 81.2 | Confident | 86.6 | Confident | 85 Ų | 85 | 58.4 Ų | 58.4 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -7 | 174.5 | 26.8 | -34.6 | 0 | 0 | 0 | 113.9 | ||
| 142 | F | 70.6 | Confident | 85.7 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -19.3 | 176.2 | -84.2 | -94 | 0 | 0 | 0 | 114.6 | W93 K118 S140 K144 | W93-F142 HydrophobicContact CB-CZ 4.49Å; W93-F142 HydrophobicContact CD2-CE2 4.4Å; W93-F142 HydrophobicContact CD2-CZ 4.34Å; W93-F142 HydrophobicContact CE3-CD2 4.24Å; W93-F142 HydrophobicContact CE3-CE1 4.29Å; W93-F142 AromaticContact CE3-CE2 3.18Å; W93-F142 HydrophobicContact CE3-CE2 3.18Å; W93-F142 AromaticContact CE3-CZ 3.24Å; W93-F142 HydrophobicContact CE3-CZ 3.24Å; W93-F142 AromaticContact CZ3-CE2 3.43Å; W93-F142 HydrophobicContact CZ3-CE2 3.43Å; W93-F142 VanDerWaalsContact CZ3-CE2 3.43Å; W93-F142 AromaticContact CZ3-CZ 3.8Å; W93-F142 HydrophobicContact CZ3-CZ 3.8Å; K118-F142 WeakPolarHBondContact CE-O 3.2Å; K118-F142 PolarHBondContact NZ-O 3.04Å; S140-F142 PolarHBondContact O-N 2.91Å; S140-F142 PolarHBondContact OG-N 3.36Å; F142-K144 PolarHBondContact O-N 3.11Å; F142-K144 VanDerWaalsContact O-N 3.15Å |
| 143 | E | 64 | Low | 84.7 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | trans | -75.8 | 101.7 | 171.3 | -68.4 | -170.2 | 157 | 0 | 0 | 108.4 | S140 | S140-E143 PolarHBondContact O-N 3.33Å; S140-E143 VanDerWaalsContact O-N 3.14Å | ||
| 144 | K | 47.6 | Very low | 83.6 | Confident | 262 Ų | 262 | 71.3 Ų | 71.3 | 100% | 1.139 | 36% | 0.362 | S | S | * | . | trans | -107.1 | 0 | 162.3 | -74.1 | -172.5 | -180 | 179.4 | 0 | 108.1 | F142 | F142-K144 PolarHBondContact O-N 3.11Å; F142-K144 VanDerWaalsContact O-N 3.15Å |
Retrieved 144 of 144 residues in 35 ms
(Link to these results)