| 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 | 62.2 | Low | 89.3 | Confident | 139 Ų | 139 | 63.2 Ų | 63.2 | 69% | 0.685 | 34% | 0.339 | S | S | * | . | 0 | 147 | 0 | -72.4 | 164.4 | 75.3 | 0 | 0 | 107.8 | L3 Y295 N299 | M1-L3 PolarHBondContact O-N 3.4Å; M1-Y295 HydrophobicContact CE-CD2 4.49Å; M1-Y295 HydrophobicContact CE-CE2 3.35Å; M1-Y295 VanDerWaalsContact CE-CZ 3.48Å; M1-Y295 WeakPolarHBondContact CE-OH 3.34Å; M1-N299 WeakPolarHBondContact CE-OD1 3.4Å | |||
| 2 | P | 68.4 | Low | 90 | Very high | 52 Ų | 52 | 66.4 Ų | 66.4 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | trans | -63.3 | 135.2 | 177.2 | 26.1 | -30.4 | 0 | 0 | 0 | 109.4 | F4 N257 | P2-F4 HydrophobicContact CG-CE1 4.1Å; P2-F4 HydrophobicContact CG-CZ 4.23Å; P2-N257 HydrophobicContact CG-CB 3.97Å | ||
| 3 | L | 85.5 | Confident | 90.5 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 65% | 0.654 | 33% | 0.328 | S | S | * | . | trans | -86.3 | 112.8 | 171.6 | -76.1 | 174 | 0 | 0 | 0 | 107.7 | M1 N299 I301 | M1-L3 PolarHBondContact O-N 3.4Å; L3-N299 WeakPolarHBondContact CA-O 3.08Å; L3-I301 HydrophobicContact CB-CG2 3.75Å; L3-I301 HydrophobicContact CD1-CG2 3.9Å; L3-I301 HydrophobicContact CD2-CG2 3.87Å; L3-I301 HydrophobicContact CG-CG2 4.04Å | ||
| 4 | F | 95.4 | Very high | 91 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 127.6 | -179.3 | -55.1 | -62.7 | 0 | 0 | 0 | 111 | P2 A10 V11 V256 Y295 I296 N299 C300 I301 | P2-F4 HydrophobicContact CG-CE1 4.1Å; P2-F4 HydrophobicContact CG-CZ 4.23Å; F4-A10 HydrophobicContact CD1-CB 3.64Å; F4-A10 HydrophobicContact CE1-CB 3.85Å; F4-A10 HydrophobicContact CG-CB 4Å; F4-A10 HydrophobicContact CZ-CB 4.37Å; F4-V11 HydrophobicContact CB-CG2 4.09Å; F4-V256 HydrophobicContact CE1-CB 4.49Å; F4-V256 WeakPolarHBondContact CE1-O 3.36Å; F4-V256 HydrophobicContact CZ-CB 4.33Å; F4-V256 HydrophobicContact CZ-CG2 4Å; F4-Y295 HydrophobicContact CE2-CD1 4.4Å; F4-Y295 AromaticContact CE2-CE1 3.95Å; F4-Y295 HydrophobicContact CE2-CE1 3.95Å; F4-Y295 HydrophobicContact CZ-CE1 4.08Å; F4-I296 HydrophobicContact CD2-CB 4.35Å; F4-I296 HydrophobicContact CD2-CG2 3.87Å; F4-I296 HydrophobicContact CE2-CB 4.4Å; F4-I296 HydrophobicContact CE2-CG1 4.27Å; F4-I296 HydrophobicContact CE2-CG2 4.36Å; F4-I296 HydrophobicContact CG-CG2 4.32Å; F4-N299 HydrophobicContact CD2-CB 3.89Å; F4-N299 WeakPolarHBondContact CD2-O 3.25Å; F4-N299 HydrophobicContact CE2-CB 3.78Å; F4-N299 PolarHBondContact N-O 3.21Å; F4-C300 HydrophobicContact CB-CB 3.85Å; F4-C300 CarbonylContact O-C 3.54Å; F4-C300 WeakPolarHBondContact O-CA 3.27Å; F4-C300 WeakPolarHBondContact O-CB 3.43Å; F4-I301 WeakPolarHBondContact O-CG1 3.38Å; F4-I301 PolarHBondContact O-N 2.92Å |
| 5 | D | 94.9 | Very high | 91.3 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | trans | -101.7 | 178.5 | 172 | 62.4 | 23.8 | 0 | 0 | 0 | 111.6 | L7 S8 V11 I301 | D5-L7 PolarHBondContact O-N 3.2Å; D5-L7 PolarHBondContact OD1-N 3.37Å; D5-L7 VanDerWaalsContact OD1-N 3.07Å; D5-S8 WeakPolarHBondContact O-CB 3.16Å; D5-S8 PolarHBondContact O-N 3.22Å; D5-S8 PolarHBondContact O-OG 3.27Å; D5-S8 PolarHBondContact OD1-N 3.46Å; D5-V11 WeakPolarHBondContact O-CB 3.41Å; D5-V11 WeakPolarHBondContact O-CG2 3Å; D5-I301 HydrophobicContact CB-CD1 4.01Å; D5-I301 HydrophobicContact CB-CG1 4.18Å | ||
| 6 | D | 93.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 59.5 Ų | 59.5 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.6 | 178.7 | 61.6 | -34.4 | 0 | 0 | 0 | 114 | L302 | D6-L302 HydrophobicContact CB-CD2 4.01Š|
| 7 | L | 93.8 | Very high | 91.6 | Very high | 118 Ų | 118 | 56.4 Ų | 56.4 | 62% | 0.618 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -19.1 | 178.5 | -59.8 | 179.7 | 0 | 0 | 0 | 112.8 | D5 K12 | D5-L7 PolarHBondContact O-N 3.2Å; D5-L7 PolarHBondContact OD1-N 3.37Å; D5-L7 VanDerWaalsContact OD1-N 3.07Å; L7-K12 VanDerWaalsContact O-CE 3.28Å; L7-K12 WeakPolarHBondContact O-CE 3.23Å; L7-K12 PolarHBondContact O-NZ 3.31Å |
| 8 | S | 96.6 | Very high | 91.7 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -61 | 143.6 | -178.6 | 73.6 | 0 | 0 | 0 | 0 | 113.2 | D5 A10 V11 K12 | D5-S8 WeakPolarHBondContact O-CB 3.16Å; D5-S8 PolarHBondContact O-N 3.22Å; D5-S8 PolarHBondContact O-OG 3.27Å; D5-S8 PolarHBondContact OD1-N 3.46Å; S8-A10 PolarHBondContact O-N 3.32Å; S8-V11 PolarHBondContact O-N 3.48Å; S8-V11 WeakPolarHBondContact OG-CB 3.35Å; S8-V11 WeakPolarHBondContact OG-CG2 3.23Å; S8-V11 PolarHBondContact OG-N 3.13Å; S8-V11 VanDerWaalsContact OG-N 3.17Å; S8-K12 WeakPolarHBondContact O-CG 3.17Å; S8-K12 PolarHBondContact O-N 2.64Å; S8-K12 VanDerWaalsContact O-N 3.07Å |
| 9 | N | 97.1 | Very high | 91.7 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.8 | -32.4 | 173.6 | -74.3 | -33.6 | 0 | 0 | 0 | 112 | K12 W13 G259 M261 | N9-K12 PolarHBondContact O-N 3.26Å; N9-W13 WeakPolarHBondContact O-CB 3.34Å; N9-W13 PolarHBondContact O-N 2.9Å; N9-G259 PolarHBondContact ND2-O 3.27Å; N9-M261 HydrophobicContact CB-CB 4.33Å; N9-M261 HydrophobicContact CB-CE 4.08Å |
| 10 | A | 97.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -50.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F4 S8 W13 V14 V256 I296 | F4-A10 HydrophobicContact CD1-CB 3.64Å; F4-A10 HydrophobicContact CE1-CB 3.85Å; F4-A10 HydrophobicContact CG-CB 4Å; F4-A10 HydrophobicContact CZ-CB 4.37Å; S8-A10 PolarHBondContact O-N 3.32Å; A10-W13 WeakPolarHBondContact O-CB 3.04Å; A10-W13 PolarHBondContact O-N 3.37Å; A10-V14 WeakPolarHBondContact O-CG2 3.45Å; A10-V14 PolarHBondContact O-N 3.33Å; A10-V256 HydrophobicContact CB-CB 4.21Å; A10-I296 HydrophobicContact CB-CD1 4.02Å; A10-I296 HydrophobicContact CB-CG1 4.13Å; A10-I296 HydrophobicContact CB-CG2 3.89Å |
| 11 | V | 97.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 178.4 | 167.8 | 0 | 0 | 0 | 0 | 111.7 | F4 D5 S8 W13 V14 N15 I296 C300 L302 W306 | F4-V11 HydrophobicContact CB-CG2 4.09Å; D5-V11 WeakPolarHBondContact O-CB 3.41Å; D5-V11 WeakPolarHBondContact O-CG2 3Å; S8-V11 PolarHBondContact O-N 3.48Å; S8-V11 WeakPolarHBondContact OG-CB 3.35Å; S8-V11 WeakPolarHBondContact OG-CG2 3.23Å; S8-V11 PolarHBondContact OG-N 3.13Å; S8-V11 VanDerWaalsContact OG-N 3.17Å; V11-W13 VanDerWaalsContact C-N 3.29Å; V11-W13 PolarHBondContact O-N 3.41Å; V11-V14 PolarHBondContact O-N 3.39Å; V11-N15 PolarHBondContact O-N 3.38Å; V11-N15 PolarHBondContact O-ND2 3.05Å; V11-I296 HydrophobicContact CG2-CG2 4.45Å; V11-C300 HydrophobicContact CG2-CB 4.35Å; V11-L302 HydrophobicContact CG1-CD1 3.76Å; V11-L302 HydrophobicContact CG2-CD1 3.93Å; V11-W306 HydrophobicContact CG1-CH2 4.32Å; V11-W306 HydrophobicContact CG1-CZ2 3.93Å; V11-W306 HydrophobicContact CG2-CH2 4.45Å |
| 12 | K | 97.3 | Very high | 91.8 | Very high | 102 Ų | 102 | 61.3 Ų | 61.3 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 173.9 | -71.8 | 169 | 177.8 | 157.4 | 0 | 111.8 | L7 S8 N9 N16 M261 | L7-K12 VanDerWaalsContact O-CE 3.28Å; L7-K12 WeakPolarHBondContact O-CE 3.23Å; L7-K12 PolarHBondContact O-NZ 3.31Å; S8-K12 WeakPolarHBondContact O-CG 3.17Å; S8-K12 PolarHBondContact O-N 2.64Å; S8-K12 VanDerWaalsContact O-N 3.07Å; N9-K12 PolarHBondContact O-N 3.26Å; K12-N16 PolarHBondContact O-N 2.81Å; K12-N16 VanDerWaalsContact O-N 3.14Å; K12-M261 HydrophobicContact CB-CE 4.28Å |
| 13 | W | 97.2 | Very high | 92.7 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 10% | 0.095 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 174.7 | -175.7 | 84.8 | 0 | 0 | 0 | 112 | N9 A10 V11 N15 N16 V17 M261 P262 I264 H289 L292 V293 I296 | N9-W13 WeakPolarHBondContact O-CB 3.34Å; N9-W13 PolarHBondContact O-N 2.9Å; A10-W13 WeakPolarHBondContact O-CB 3.04Å; A10-W13 PolarHBondContact O-N 3.37Å; V11-W13 VanDerWaalsContact C-N 3.29Å; V11-W13 PolarHBondContact O-N 3.41Å; W13-N15 VanDerWaalsContact C-N 3.33Å; W13-N15 PolarHBondContact O-N 3.42Å; W13-N16 WeakPolarHBondContact O-CB 3.47Å; W13-N16 PolarHBondContact O-N 3.38Å; W13-V17 HydrophobicContact CD2-CG2 3.94Å; W13-V17 HydrophobicContact CE3-CG2 4.13Å; W13-V17 HydrophobicContact CH2-CG2 3.81Å; W13-V17 HydrophobicContact CZ2-CG2 3.61Å; W13-V17 HydrophobicContact CZ3-CG2 4.08Å; W13-V17 WeakPolarHBondContact O-CG2 3.27Å; W13-V17 PolarHBondContact O-N 2.93Å; W13-M261 HydrophobicContact CB-SD 3.61Å; W13-M261 HydrophobicContact CG-SD 4.14Å; W13-P262 HydrophobicContact CB-CG 4.12Å; W13-P262 HydrophobicContact CD2-CG 3.7Å; W13-P262 HydrophobicContact CE3-CG 4.29Å; W13-P262 HydrophobicContact CG-CG 3.57Å; W13-I264 HydrophobicContact CH2-CD1 4.08Å; W13-I264 HydrophobicContact CZ2-CD1 3.74Å; W13-I264 HydrophobicContact CZ2-CG1 4.24Å; W13-H289 AromaticContact CZ2-CD2 3.91Å; W13-L292 HydrophobicContact CE3-CD2 4.4Å; W13-L292 HydrophobicContact CH2-CB 4.14Å; W13-L292 HydrophobicContact CH2-CD2 3.75Å; W13-L292 HydrophobicContact CH2-CG 4.14Å; W13-L292 HydrophobicContact CZ2-CD2 4.12Å; W13-L292 HydrophobicContact CZ3-CB 4.21Å; W13-L292 HydrophobicContact CZ3-CD2 3.89Å; W13-L292 HydrophobicContact CZ3-CG 3.95Å; W13-V293 HydrophobicContact CE3-CG2 4.46Å; W13-V293 HydrophobicContact CH2-CG2 4.04Å; W13-V293 HydrophobicContact CZ3-CG2 3.52Å; W13-I296 HydrophobicContact CE3-CD1 3.94Å; W13-I296 HydrophobicContact CZ3-CD1 4.24Å |
| 14 | V | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 177.9 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | A10 V11 N16 V17 A18 V293 I296 V297 W306 V310 | A10-V14 WeakPolarHBondContact O-CG2 3.45Å; A10-V14 PolarHBondContact O-N 3.33Å; V11-V14 PolarHBondContact O-N 3.39Å; V14-N16 PolarHBondContact O-N 3Å; V14-V17 PolarHBondContact O-N 3.19Å; V14-A18 WeakPolarHBondContact O-CB 3.41Å; V14-A18 PolarHBondContact O-N 3.45Å; V14-V293 HydrophobicContact CG1-CG1 4.09Å; V14-V293 HydrophobicContact CG2-CG1 4.44Å; V14-V293 HydrophobicContact CG2-CG2 4.38Å; V14-I296 HydrophobicContact CG2-CB 3.83Å; V14-I296 HydrophobicContact CG2-CD1 3.65Å; V14-I296 HydrophobicContact CG2-CG1 4.36Å; V14-I296 HydrophobicContact CG2-CG2 3.64Å; V14-V297 HydrophobicContact CG1-CG2 4.47Å; V14-W306 HydrophobicContact CB-CH2 4.34Å; V14-W306 HydrophobicContact CG1-CH2 3.68Å; V14-W306 HydrophobicContact CG1-CZ2 3.99Å; V14-V310 HydrophobicContact CG1-CB 4.43Å; V14-V310 HydrophobicContact CG1-CG1 3.39Å; V14-V310 HydrophobicContact CG1-CG2 4.16Å |
| 15 | N | 95.6 | Very high | 92.6 | Very high | 67 Ų | 67 | 62.7 Ų | 62.7 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 177.1 | -76.2 | -32.5 | 0 | 0 | 0 | 111.4 | V11 W13 A18 K19 W306 | V11-N15 PolarHBondContact O-N 3.38Å; V11-N15 PolarHBondContact O-ND2 3.05Å; W13-N15 VanDerWaalsContact C-N 3.33Å; W13-N15 PolarHBondContact O-N 3.42Å; N15-A18 CarbonylContact O-C 3.57Å; N15-A18 PolarHBondContact O-N 3.31Å; N15-K19 WeakPolarHBondContact O-CG 3.35Å; N15-K19 PolarHBondContact O-N 3.47Å; N15-W306 WeakPolarHBondContact OD1-CZ2 3.37Å; N15-W306 PolarHBondContact OD1-NE1 2.81Å |
| 16 | N | 94.2 | Very high | 92.4 | Very high | 63 Ų | 63 | 66 Ų | 66 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 177.5 | -168.5 | 59.1 | 0 | 0 | 0 | 112.9 | K12 W13 V14 A18 K19 | K12-N16 PolarHBondContact O-N 2.81Å; K12-N16 VanDerWaalsContact O-N 3.14Å; W13-N16 WeakPolarHBondContact O-CB 3.47Å; W13-N16 PolarHBondContact O-N 3.38Å; V14-N16 PolarHBondContact O-N 3Å; N16-A18 VanDerWaalsContact C-N 3.26Å; N16-A18 PolarHBondContact O-N 3.4Å; N16-K19 PolarHBondContact O-N 2.97Å; N16-K19 WeakPolarHBondContact OD1-CE 3.21Å; N16-K19 PolarHBondContact OD1-NZ 3.16Å |
| 17 | V | 94.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 176 | 176 | 0 | 0 | 0 | 0 | 111.4 | W13 V14 V293 V314 L317 | W13-V17 HydrophobicContact CD2-CG2 3.94Å; W13-V17 HydrophobicContact CE3-CG2 4.13Å; W13-V17 HydrophobicContact CH2-CG2 3.81Å; W13-V17 HydrophobicContact CZ2-CG2 3.61Å; W13-V17 HydrophobicContact CZ3-CG2 4.08Å; W13-V17 WeakPolarHBondContact O-CG2 3.27Å; W13-V17 PolarHBondContact O-N 2.93Å; V14-V17 PolarHBondContact O-N 3.19Å; V17-V293 HydrophobicContact CB-CG2 4.46Å; V17-V293 HydrophobicContact CG1-CG2 4.1Å; V17-V314 HydrophobicContact CG1-CG1 4.06Å; V17-L317 HydrophobicContact CG1-CD1 4.24Å |
| 18 | A | 93.7 | Very high | 92.4 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 10.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V14 N15 N16 V310 K313 V314 | V14-A18 WeakPolarHBondContact O-CB 3.41Å; V14-A18 PolarHBondContact O-N 3.45Å; N15-A18 CarbonylContact O-C 3.57Å; N15-A18 PolarHBondContact O-N 3.31Å; N16-A18 VanDerWaalsContact C-N 3.26Å; N16-A18 PolarHBondContact O-N 3.4Å; A18-V310 HydrophobicContact CB-CG1 4.4Å; A18-V310 HydrophobicContact CB-CG2 4.48Å; A18-K313 HydrophobicContact CB-CB 4.3Å; A18-K313 HydrophobicContact CB-CD 4.4Å; A18-K313 VanDerWaalsContact O-CD 3.23Å; A18-K313 WeakPolarHBondContact O-CD 3.21Å; A18-V314 HydrophobicContact CB-CG1 4.13Å |
| 19 | K | 90.4 | Very high | 92.2 | Very high | 153 Ų | 153 | 62.8 Ų | 62.8 | 67% | 0.665 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -66.2 | -67 | -177.9 | -79.5 | 177.3 | -178.9 | 166.8 | 0 | 113.4 | N15 N16 | N15-K19 WeakPolarHBondContact O-CG 3.35Å; N15-K19 PolarHBondContact O-N 3.47Å; N16-K19 PolarHBondContact O-N 2.97Å; N16-K19 WeakPolarHBondContact OD1-CE 3.21Å; N16-K19 PolarHBondContact OD1-NZ 3.16Å |
| 20 | D | 83.5 | Confident | 92.1 | Very high | 73 Ų | 73 | 63 Ų | 63 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | trans | -134 | 116.5 | 179.4 | -176.5 | -49.7 | 0 | 0 | 0 | 108.8 | K22 E23 N24 | D20-K22 VanDerWaalsContact C-N 3.33Å; D20-K22 PolarHBondContact O-N 3.37Å; D20-K22 PolarHBondContact OD1-N 3.1Å; D20-E23 HydrophobicContact CB-CB 4.01Å; D20-E23 PolarHBondContact OD1-N 3.03Å; D20-N24 WeakPolarHBondContact O-CB 3.45Å; D20-N24 PolarHBondContact O-N 2.75Å | ||
| 21 | S | 84.3 | Confident | 91.9 | Very high | 65 Ų | 65 | 64 Ų | 64 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | -176.4 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | L25 Y316 | S21-L25 WeakPolarHBondContact O-CB 3.37Å; S21-L25 PolarHBondContact O-N 3.42Å; S21-Y316 PolarHBondContact O-OH 3.07Å |
| 22 | K | 80.6 | Confident | 91.8 | Very high | 169 Ų | 169 | 66.3 Ų | 66.3 | 74% | 0.735 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -80.5 | -46.1 | -175.2 | -175.3 | -179.1 | 178.4 | -176.5 | 0 | 110.7 | D20 N24 L25 H26 | D20-K22 VanDerWaalsContact C-N 3.33Å; D20-K22 PolarHBondContact O-N 3.37Å; D20-K22 PolarHBondContact OD1-N 3.1Å; K22-N24 VanDerWaalsContact C-N 3.33Å; K22-L25 PolarHBondContact O-N 3.07Å; K22-H26 PolarHBondContact O-N 2.96Å |
| 23 | E | 86.7 | Confident | 91.6 | Very high | 143 Ų | 143 | 63.8 Ų | 63.8 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 175.8 | -169.4 | -178.8 | 177.2 | 0 | 0 | 110.5 | D20 L25 H26 K27 | D20-E23 HydrophobicContact CB-CB 4.01Å; D20-E23 PolarHBondContact OD1-N 3.03Å; E23-L25 PolarHBondContact O-N 2.76Å; E23-H26 PolarHBondContact O-N 3.09Å; E23-K27 WeakPolarHBondContact O-CB 3.35Å; E23-K27 PolarHBondContact O-N 3.17Å |
| 24 | N | 89 | Confident | 91.4 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 178.3 | -168.5 | 73.1 | 0 | 0 | 0 | 111.8 | D20 K22 H26 K27 L28 Y316 | D20-N24 WeakPolarHBondContact O-CB 3.45Å; D20-N24 PolarHBondContact O-N 2.75Å; K22-N24 VanDerWaalsContact C-N 3.33Å; N24-H26 PolarHBondContact O-N 3.29Å; N24-K27 WeakPolarHBondContact O-CB 3.1Å; N24-K27 PolarHBondContact O-N 3.38Å; N24-L28 WeakPolarHBondContact ND2-CD1 3.45Å; N24-L28 VanDerWaalsContact O-CG 3.28Å; N24-L28 WeakPolarHBondContact O-CG 3.26Å; N24-L28 PolarHBondContact O-N 2.79Å; N24-Y316 PolarHBondContact ND2-OH 3.3Å |
| 25 | L | 89.9 | Confident | 91.3 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 31% | 0.314 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58 | -48.2 | 174.7 | 178.8 | 59.8 | 0 | 0 | 0 | 111.9 | S21 K22 E23 K27 L28 L29 M286 Y316 | S21-L25 WeakPolarHBondContact O-CB 3.37Å; S21-L25 PolarHBondContact O-N 3.42Å; K22-L25 PolarHBondContact O-N 3.07Å; E23-L25 PolarHBondContact O-N 2.76Å; L25-K27 VanDerWaalsContact C-N 3.33Å; L25-K27 PolarHBondContact O-N 3.3Å; L25-L28 PolarHBondContact O-N 3.4Å; L25-L29 HydrophobicContact CD1-CD1 4.2Å; L25-L29 HydrophobicContact CD1-CG 4.34Å; L25-L29 HydrophobicContact CG-CD1 4.07Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.34Å; L25-L29 PolarHBondContact O-N 2.97Å; L25-M286 HydrophobicContact CD1-SD 3.63Å; L25-Y316 HydrophobicContact CB-CD2 4.41Å; L25-Y316 HydrophobicContact CB-CE2 3.8Å; L25-Y316 HydrophobicContact CD1-CD2 4.3Å; L25-Y316 HydrophobicContact CD1-CE2 4.08Å; L25-Y316 HydrophobicContact CG-CE2 4.42Å |
| 26 | H | 91.5 | Very high | 91.3 | Very high | 130 Ų | 130 | 69.2 Ų | 69.2 | 60% | 0.602 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 177.6 | -178.9 | 67.1 | 0 | 0 | 0 | 111.5 | K22 E23 N24 L28 L29 V30 | K22-H26 PolarHBondContact O-N 2.96Å; E23-H26 PolarHBondContact O-N 3.09Å; N24-H26 PolarHBondContact O-N 3.29Å; H26-L28 PolarHBondContact O-N 2.92Å; H26-L29 PolarHBondContact O-N 3.09Å; H26-V30 WeakPolarHBondContact O-CG2 3.33Å; H26-V30 PolarHBondContact O-N 3.15Å |
| 27 | K | 92.9 | Very high | 91.3 | Very high | 100 Ų | 100 | 68.3 Ų | 68.3 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.2 | -50 | 176.2 | -178.9 | -172.4 | 170.5 | -172.6 | 0 | 111.9 | E23 N24 L25 L29 V30 E31 | E23-K27 WeakPolarHBondContact O-CB 3.35Å; E23-K27 PolarHBondContact O-N 3.17Å; N24-K27 WeakPolarHBondContact O-CB 3.1Å; N24-K27 PolarHBondContact O-N 3.38Å; L25-K27 VanDerWaalsContact C-N 3.33Å; L25-K27 PolarHBondContact O-N 3.3Å; K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.36Å; K27-V30 PolarHBondContact O-N 2.84Å; K27-E31 VanDerWaalsContact O-CB 3.31Å; K27-E31 WeakPolarHBondContact O-CB 3.46Å; K27-E31 PolarHBondContact O-N 3.28Å |
| 28 | L | 93.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -35.3 | -179.2 | -66.9 | -175.7 | 0 | 0 | 0 | 112.4 | N24 L25 H26 E31 Y32 Y285 H289 L317 | N24-L28 WeakPolarHBondContact ND2-CD1 3.45Å; N24-L28 VanDerWaalsContact O-CG 3.28Å; N24-L28 WeakPolarHBondContact O-CG 3.26Å; N24-L28 PolarHBondContact O-N 2.79Å; L25-L28 PolarHBondContact O-N 3.4Å; H26-L28 PolarHBondContact O-N 2.92Å; L28-E31 WeakPolarHBondContact CD2-OE1 3.37Å; L28-Y32 WeakPolarHBondContact O-CB 3.28Å; L28-Y32 PolarHBondContact O-N 3.46Å; L28-Y285 HydrophobicContact CB-CE1 4.36Å; L28-Y285 HydrophobicContact CD2-CE1 4.27Å; L28-H289 VanDerWaalsContact CD2-NE2 3.27Å; L28-H289 WeakPolarHBondContact CD2-NE2 3.32Å; L28-L317 HydrophobicContact CD1-CD2 3.5Å |
| 29 | L | 93 | Very high | 91.2 | Very high | 73 Ų | 73 | 82.1 Ų | 82.1 | 38% | 0.382 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.5 | -72.2 | 166.6 | 0 | 0 | 0 | 111.8 | L25 H26 K27 A33 V282 | L25-L29 HydrophobicContact CD1-CD1 4.2Å; L25-L29 HydrophobicContact CD1-CG 4.34Å; L25-L29 HydrophobicContact CG-CD1 4.07Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.34Å; L25-L29 PolarHBondContact O-N 2.97Å; H26-L29 PolarHBondContact O-N 3.09Å; K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.36Å; L29-A33 WeakPolarHBondContact O-CB 3.34Å; L29-A33 PolarHBondContact O-N 2.95Å; L29-V282 HydrophobicContact CD2-CG2 3.62Å |
| 30 | V | 94.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 75.9 Ų | 75.9 | 40% | 0.4 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.2 | -50.4 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | H26 K27 Y32 A33 T34 | H26-V30 WeakPolarHBondContact O-CG2 3.33Å; H26-V30 PolarHBondContact O-N 3.15Å; K27-V30 PolarHBondContact O-N 2.84Å; V30-Y32 VanDerWaalsContact C-N 3.32Å; V30-Y32 PolarHBondContact O-N 3.37Å; V30-A33 WeakPolarHBondContact O-CA 3.48Å; V30-A33 PolarHBondContact O-N 2.94Å; V30-T34 HydrophobicContact CG1-CG2 4.24Å; V30-T34 PolarHBondContact O-N 3.45Å; V30-T34 PolarHBondContact O-OG1 3.13Å |
| 31 | E | 94.3 | Very high | 92.1 | Very high | 24 Ų | 24 | 76 Ų | 76 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -53.9 | -46.3 | 179.2 | -169.1 | 177.1 | 50.4 | 0 | 0 | 111.7 | K27 L28 A33 E35 P265 Y285 | K27-E31 VanDerWaalsContact O-CB 3.31Å; K27-E31 WeakPolarHBondContact O-CB 3.46Å; K27-E31 PolarHBondContact O-N 3.28Å; L28-E31 WeakPolarHBondContact CD2-OE1 3.37Å; E31-A33 VanDerWaalsContact C-N 3.33Å; E31-A33 PolarHBondContact O-N 3.48Å; E31-E35 HydrophobicContact CG-CB 4.38Å; E31-E35 HydrophobicContact CG-CG 4.23Å; E31-E35 WeakPolarHBondContact O-CB 3.45Å; E31-E35 PolarHBondContact O-N 2.97Å; E31-P265 HydrophobicContact CG-CB 4.41Å; E31-P265 HydrophobicContact CG-CG 3.47Å; E31-P265 VanDerWaalsContact CG-CG 3.47Å; E31-P265 WeakPolarHBondContact OE2-CG 3.42Å; E31-Y285 VanDerWaalsContact CG-OH 3.24Å; E31-Y285 WeakPolarHBondContact CG-OH 3.19Å; E31-Y285 PolarHBondContact OE1-OH 3.36Å |
| 32 | Y | 94.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 76.8 Ų | 76.8 | 19% | 0.192 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 174.4 | 179.9 | -102.5 | 0 | 0 | 0 | 113.1 | L28 V30 L36 L280 L281 V282 Y285 | L28-Y32 WeakPolarHBondContact O-CB 3.28Å; L28-Y32 PolarHBondContact O-N 3.46Å; V30-Y32 VanDerWaalsContact C-N 3.32Å; V30-Y32 PolarHBondContact O-N 3.37Å; Y32-L36 HydrophobicContact CD2-CD1 3.52Å; Y32-L36 HydrophobicContact CE2-CD1 3.8Å; Y32-L36 HydrophobicContact CG-CD1 4.44Å; Y32-L280 PolarHBondContact OH-O 2.72Å; Y32-L281 PolarHBondContact OH-N 2.81Å; Y32-V282 HydrophobicContact CD1-CB 4.01Å; Y32-V282 HydrophobicContact CD1-CG2 4.06Å; Y32-V282 HydrophobicContact CE1-CB 4.06Å; Y32-V282 HydrophobicContact CG-CB 4.48Å; Y32-V282 HydrophobicContact CG-CG2 4.23Å; Y32-Y285 HydrophobicContact CD2-CD1 4.19Å; Y32-Y285 AromaticContact CD2-CD2 3.67Å; Y32-Y285 HydrophobicContact CD2-CD2 3.67Å; Y32-Y285 HydrophobicContact CD2-CE2 4.38Å; Y32-Y285 AromaticContact CD2-CG 3.55Å; Y32-Y285 HydrophobicContact CD2-CG 3.55Å; Y32-Y285 HydrophobicContact CE2-CD2 4.43Å; Y32-Y285 HydrophobicContact CE2-CG 4.38Å; Y32-Y285 HydrophobicContact CG-CD1 4.48Å; Y32-Y285 HydrophobicContact CG-CG 4.26Å |
| 33 | A | 93.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 72.9 Ų | 72.9 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -80.8 | -27 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L29 V30 E31 R38 | L29-A33 WeakPolarHBondContact O-CB 3.34Å; L29-A33 PolarHBondContact O-N 2.95Å; V30-A33 WeakPolarHBondContact O-CA 3.48Å; V30-A33 PolarHBondContact O-N 2.94Å; E31-A33 VanDerWaalsContact C-N 3.33Å; E31-A33 PolarHBondContact O-N 3.48Å; A33-R38 PolarHBondContact O-NH2 3.39Å |
| 34 | T | 94.1 | Very high | 93.9 | Very high | 90 Ų | 90 | 70.2 Ų | 70.2 | 55% | 0.552 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -115 | -31.7 | -170.4 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | V30 | V30-T34 HydrophobicContact CG1-CG2 4.24Å; V30-T34 PolarHBondContact O-N 3.45Å; V30-T34 PolarHBondContact O-OG1 3.13Å |
| 35 | E | 93.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 69.7 Ų | 69.7 | 51% | 0.514 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -20.1 | -171.2 | -60.3 | -168.9 | -162.3 | 0 | 0 | 114.1 | E31 P265 | E31-E35 HydrophobicContact CG-CB 4.38Å; E31-E35 HydrophobicContact CG-CG 4.23Å; E31-E35 WeakPolarHBondContact O-CB 3.45Å; E31-E35 PolarHBondContact O-N 2.97Å; E35-P265 HydrophobicContact CB-CB 4.17Å |
| 36 | L | 94.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 74.5 Ų | 74.5 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -83.5 | 133.3 | 179 | -58.3 | -173.4 | 0 | 0 | 0 | 111.2 | Y32 R38 P265 I268 R272 Y285 | Y32-L36 HydrophobicContact CD2-CD1 3.52Å; Y32-L36 HydrophobicContact CE2-CD1 3.8Å; Y32-L36 HydrophobicContact CG-CD1 4.44Å; L36-R38 PolarHBondContact O-N 3.12Å; L36-P265 HydrophobicContact CD2-CB 4.28Å; L36-I268 HydrophobicContact CD1-CG2 4.08Å; L36-I268 HydrophobicContact CD2-CB 3.81Å; L36-I268 HydrophobicContact CD2-CD1 4.34Å; L36-I268 HydrophobicContact CD2-CG2 3.74Å; L36-I268 HydrophobicContact CG-CG2 4.48Å; L36-R272 VanDerWaalsContact CB-NH1 3.34Å; L36-Y285 HydrophobicContact CD1-CD2 3.99Å; L36-Y285 HydrophobicContact CD1-CE2 3.96Å; L36-Y285 HydrophobicContact CD2-CE2 4.29Å; L36-Y285 HydrophobicContact CG-CE2 4.44Å |
| 37 | P | 94.2 | Very high | 94.9 | Very high | 45 Ų | 45 | 69.6 Ų | 69.6 | 29% | 0.292 | 35% | 0.354 | S | S | . | . | trans | -50.9 | 129.5 | 171.9 | -27.3 | 34.4 | 0 | 0 | 0 | 110.9 | A269 R272 | P37-A269 HydrophobicContact CG-CB 3.84Å; P37-R272 HydrophobicContact CB-CB 4.17Å; P37-R272 HydrophobicContact CG-CB 4.29Å; P37-R272 WeakPolarHBondContact O-CD 3.5Å; P37-R272 PolarHBondContact O-NH1 3.31Å | ||
| 38 | R | 92.7 | Very high | 95.1 | Very high | 187 Ų | 187 | 64.9 Ų | 64.9 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | trans | -81.2 | -169.8 | -179.8 | -64.6 | -174.5 | 176.9 | -179 | -0.8 | 110.6 | A33 L36 | A33-R38 PolarHBondContact O-NH2 3.39Å; L36-R38 PolarHBondContact O-N 3.12Å | ||
| 39 | R | 94.7 | Very high | 95.2 | Very high | 116 Ų | 116 | 68.1 Ų | 68.1 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -53.3 | 127.1 | 174.3 | -170.9 | -178 | -179.5 | 108.7 | -1.1 | 109.8 | A60 D61 P63 M277 | R39-A60 PolarHBondContact NH1-O 2.75Å; R39-A60 PolarHBondContact NH2-O 3.25Å; R39-D61 VanDerWaalsContact NH1-CA 3.3Å; R39-D61 PolarHBondContact NH1-O 2.66Å; R39-P63 HydrophobicContact CG-CG 3.92Å; R39-M277 HydrophobicContact CB-SD 4.18Å |
| 40 | P | 95.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 71.9 Ų | 71.9 | 14% | 0.143 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 152.8 | 177.5 | 28.2 | -36.5 | 0 | 0 | 0 | 111.2 | T45 P63 L65 A276 | P40-T45 HydrophobicContact CB-CG2 4.44Å; P40-T45 HydrophobicContact CG-CG2 3.87Å; P40-P63 HydrophobicContact CG-CB 4.16Å; P40-P63 HydrophobicContact CG-CG 4.24Å; P40-L65 HydrophobicContact CB-CD2 3.68Å; P40-L65 HydrophobicContact CG-CD2 3.71Å; P40-A276 HydrophobicContact CG-CB 3.88Å |
| 41 | P | 96 | Very high | 95.3 | Very high | 75 Ų | 75 | 69.1 Ų | 69.1 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 154.6 | 173.8 | 27.4 | -35.2 | 0 | 0 | 0 | 111.9 | T43 L44 | P41-T43 PolarHBondContact O-N 3.5Å; P41-T43 VanDerWaalsContact O-N 3.1Å; P41-L44 HydrophobicContact CG-CD1 4.04Å; P41-L44 HydrophobicContact CG-CG 4.09Å; P41-L44 PolarHBondContact O-N 3.07Å; P41-L44 VanDerWaalsContact O-N 3.08Å |
| 42 | C | 94.3 | Very high | 95.2 | Very high | 82 Ų | 82 | 70 Ų | 70 | 55% | 0.554 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -58.3 | -27.1 | -179.1 | -63.7 | 0 | 0 | 0 | 0 | 113.4 | L44 T45 R46 | C42-L44 PolarHBondContact O-N 3.06Å; C42-T45 WeakPolarHBondContact CA-OG1 3.28Å; C42-T45 CarbonylContact O-C 3.58Å; C42-T45 PolarHBondContact O-N 3.49Å; C42-T45 PolarHBondContact O-OG1 3.39Å; C42-R46 PolarHBondContact O-N 3.37Å |
| 43 | T | 96.7 | Very high | 95 | Very high | 87 Ų | 87 | 75.3 Ų | 75.3 | 53% | 0.534 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -62.7 | -21.2 | 178.1 | 51 | 0 | 0 | 0 | 0 | 114.1 | P41 R46 | P41-T43 PolarHBondContact O-N 3.5Å; P41-T43 VanDerWaalsContact O-N 3.1Å; T43-R46 PolarHBondContact O-NE 3.06Å; T43-R46 PolarHBondContact O-NH2 3Å |
| 44 | L | 97.5 | Very high | 94.8 | Very high | 87 Ų | 87 | 76.3 Ų | 76.3 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -98.4 | -0.6 | 176.8 | -59.7 | -178 | 0 | 0 | 0 | 113.5 | P41 C42 L65 D66 | P41-L44 HydrophobicContact CG-CD1 4.04Å; P41-L44 HydrophobicContact CG-CG 4.09Å; P41-L44 PolarHBondContact O-N 3.07Å; P41-L44 VanDerWaalsContact O-N 3.08Å; C42-L44 PolarHBondContact O-N 3.06Å; L44-L65 HydrophobicContact CB-CD2 4.01Å; L44-L65 WeakPolarHBondContact O-CA 3.34Å; L44-D66 PolarHBondContact O-N 3.44Å |
| 45 | T | 97.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | trans | -134.1 | 29.4 | -172.4 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | P40 C42 V47 F48 Q49 P63 L65 D66 | P40-T45 HydrophobicContact CB-CG2 4.44Å; P40-T45 HydrophobicContact CG-CG2 3.87Å; C42-T45 WeakPolarHBondContact CA-OG1 3.28Å; C42-T45 CarbonylContact O-C 3.58Å; C42-T45 PolarHBondContact O-N 3.49Å; C42-T45 PolarHBondContact O-OG1 3.39Å; T45-V47 PolarHBondContact O-N 3.27Å; T45-F48 WeakPolarHBondContact O-CB 3.43Å; T45-F48 PolarHBondContact O-N 3.49Å; T45-Q49 VanDerWaalsContact O-CG 3.26Å; T45-Q49 WeakPolarHBondContact O-CG 3.28Å; T45-Q49 PolarHBondContact O-N 3.09Å; T45-P63 HydrophobicContact CG2-CB 3.58Å; T45-L65 HydrophobicContact CG2-CD2 4.01Å; T45-D66 PolarHBondContact N-OD2 3.4Å | ||
| 46 | R | 97.6 | Very high | 94.7 | Very high | 161 Ų | 161 | 68.8 Ų | 68.8 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | -172.2 | -64.5 | 178.6 | -121.2 | 174.1 | -0.7 | 111.8 | C42 T43 F48 Q49 Q50 D66 | C42-R46 PolarHBondContact O-N 3.37Å; T43-R46 PolarHBondContact O-NE 3.06Å; T43-R46 PolarHBondContact O-NH2 3Å; R46-F48 VanDerWaalsContact C-N 3.34Å; R46-Q49 PolarHBondContact O-N 3.13Å; R46-Q50 WeakPolarHBondContact O-CG 3.48Å; R46-Q50 PolarHBondContact O-N 3.42Å; R46-D66 WeakPolarHBondContact CB-OD2 3.27Å; R46-D66 PolarHBondContact N-OD1 3.11Å; R46-D66 PolarHBondContact N-OD2 2.96Å |
| 47 | V | 97.2 | Very high | 94.6 | Very high | 28 Ų | 28 | 69.2 Ų | 69.2 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 179 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | T45 Q49 Q50 N51 D66 Y81 | T45-V47 PolarHBondContact O-N 3.27Å; V47-Q49 PolarHBondContact O-N 2.87Å; V47-Q50 PolarHBondContact O-N 3.27Å; V47-N51 WeakPolarHBondContact O-CB 3.31Å; V47-N51 PolarHBondContact O-N 3.37Å; V47-N51 PolarHBondContact O-ND2 3.35Å; V47-D66 VanDerWaalsContact CB-OD1 3.31Å; V47-D66 WeakPolarHBondContact CB-OD1 3.24Å; V47-D66 WeakPolarHBondContact CG2-OD1 3.42Å; V47-D66 PolarHBondContact N-OD1 3.02Å; V47-Y81 HydrophobicContact CG1-CD2 3.71Å; V47-Y81 HydrophobicContact CG1-CE2 4.47Å; V47-Y81 HydrophobicContact CG1-CG 4.44Å |
| 48 | F | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.9 | -49.9 | 172.1 | 166.1 | -105.2 | 0 | 0 | 0 | 111.6 | T45 R46 Q50 N51 I52 P63 C64 Y81 H83 | T45-F48 WeakPolarHBondContact O-CB 3.43Å; T45-F48 PolarHBondContact O-N 3.49Å; R46-F48 VanDerWaalsContact C-N 3.34Å; F48-Q50 VanDerWaalsContact C-N 3.3Å; F48-Q50 PolarHBondContact O-N 3.42Å; F48-N51 CarbonylContact O-C 3.54Å; F48-N51 WeakPolarHBondContact O-CA 3.42Å; F48-N51 PolarHBondContact O-N 2.95Å; F48-I52 HydrophobicContact CD1-CD1 4.27Å; F48-I52 HydrophobicContact CD1-CG1 4.34Å; F48-I52 HydrophobicContact CE1-CD1 3.76Å; F48-I52 HydrophobicContact CE1-CG1 3.98Å; F48-I52 HydrophobicContact CE2-CG1 4.25Å; F48-I52 HydrophobicContact CZ-CD1 4.12Å; F48-I52 HydrophobicContact CZ-CG1 3.96Å; F48-I52 WeakPolarHBondContact O-CG1 3.47Å; F48-I52 PolarHBondContact O-N 3.47Å; F48-I52 VanDerWaalsContact O-N 3.12Å; F48-P63 HydrophobicContact CD1-CB 4.06Å; F48-P63 HydrophobicContact CE1-CB 4.03Å; F48-C64 HydrophobicContact CB-CB 4.04Å; F48-C64 WeakPolarHBondContact CB-O 3.43Å; F48-C64 HydrophobicContact CD2-CB 4.16Å; F48-C64 HydrophobicContact CG-CB 4.34Å; F48-Y81 WeakPolarHBondContact CD2-OH 3.37Å; F48-H83 AromaticContact CD2-CD2 3.86Å; F48-H83 AromaticContact CD2-NE2 3.78Å; F48-H83 AromaticContact CE2-CD2 3.67Å; F48-H83 AromaticContact CE2-NE2 3.43Å; F48-H83 WeakPolarHBondContact CE2-NE2 3.44Å |
| 49 | Q | 95.7 | Very high | 94.4 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 179.6 | -65.9 | -70.3 | -20.9 | 0 | 0 | 112.2 | T45 R46 V47 N51 I52 | T45-Q49 VanDerWaalsContact O-CG 3.26Å; T45-Q49 WeakPolarHBondContact O-CG 3.28Å; T45-Q49 PolarHBondContact O-N 3.09Å; R46-Q49 PolarHBondContact O-N 3.13Å; V47-Q49 PolarHBondContact O-N 2.87Å; Q49-N51 PolarHBondContact O-N 3.06Å; Q49-I52 PolarHBondContact O-N 3.27Å; Q49-I52 VanDerWaalsContact OE1-CD1 3.25Å |
| 50 | Q | 95.4 | Very high | 94.3 | Very high | 152 Ų | 152 | 62.3 Ų | 62.3 | 71% | 0.71 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.3 | -17.7 | 175.5 | -70 | 168.7 | -9.9 | 0 | 0 | 113.8 | R46 V47 F48 | R46-Q50 WeakPolarHBondContact O-CG 3.48Å; R46-Q50 PolarHBondContact O-N 3.42Å; V47-Q50 PolarHBondContact O-N 3.27Å; F48-Q50 VanDerWaalsContact C-N 3.3Å; F48-Q50 PolarHBondContact O-N 3.42Å |
| 51 | N | 95.2 | Very high | 94 | Very high | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.043 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 14.9 | -175.2 | -73 | -92.2 | 0 | 0 | 0 | 113 | V47 F48 Q49 N54 S57 N79 Y81 | V47-N51 WeakPolarHBondContact O-CB 3.31Å; V47-N51 PolarHBondContact O-N 3.37Å; V47-N51 PolarHBondContact O-ND2 3.35Å; F48-N51 CarbonylContact O-C 3.54Å; F48-N51 WeakPolarHBondContact O-CA 3.42Å; F48-N51 PolarHBondContact O-N 2.95Å; Q49-N51 PolarHBondContact O-N 3.06Å; N51-N54 PolarHBondContact O-OD1 3.39Å; N51-N54 PolarHBondContact OD1-ND2 2.86Å; N51-S57 PolarHBondContact O-OG 3.26Å; N51-N79 PolarHBondContact OD1-ND2 2.9Å; N51-N79 PolarHBondContact OD1-OD1 3.45Å; N51-Y81 HydrophobicContact CB-CD1 3.38Å; N51-Y81 HydrophobicContact CB-CD2 4.28Å; N51-Y81 HydrophobicContact CB-CE1 3.61Å; N51-Y81 HydrophobicContact CB-CE2 4.47Å; N51-Y81 HydrophobicContact CB-CG 3.75Å; N51-Y81 VanDerWaalsContact CG-CG 3.44Å; N51-Y81 WeakPolarHBondContact OD1-CB 3.39Å |
| 52 | I | 90.5 | Very high | 94 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -66.2 | -45.1 | 178.1 | -73.8 | 177.7 | 0 | 0 | 0 | 110.5 | F48 Q49 | F48-I52 HydrophobicContact CD1-CD1 4.27Å; F48-I52 HydrophobicContact CD1-CG1 4.34Å; F48-I52 HydrophobicContact CE1-CD1 3.76Å; F48-I52 HydrophobicContact CE1-CG1 3.98Å; F48-I52 HydrophobicContact CE2-CG1 4.25Å; F48-I52 HydrophobicContact CZ-CD1 4.12Å; F48-I52 HydrophobicContact CZ-CG1 3.96Å; F48-I52 WeakPolarHBondContact O-CG1 3.47Å; F48-I52 PolarHBondContact O-N 3.47Å; F48-I52 VanDerWaalsContact O-N 3.12Å; Q49-I52 PolarHBondContact O-N 3.27Å; Q49-I52 VanDerWaalsContact OE1-CD1 3.25Å |
| 53 | D | 90.1 | Very high | 94.1 | Very high | 159 Ų | 159 | 57.9 Ų | 57.9 | 85% | 0.85 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1 | -169.3 | -59.5 | -40.5 | 0 | 0 | 0 | 114.4 | ||
| 54 | N | 89.7 | Confident | 94.1 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 8.2 | -175.7 | 74.3 | 9.4 | 0 | 0 | 0 | 114.6 | N51 R56 N79 | N51-N54 PolarHBondContact O-OD1 3.39Å; N51-N54 PolarHBondContact OD1-ND2 2.86Å; N54-R56 VanDerWaalsContact C-N 3.28Å; N54-R56 PolarHBondContact O-N 3.05Å; N54-R56 WeakPolarHBondContact OD1-CB 3.42Å; N54-R56 VanDerWaalsContact OD1-CG 3.31Å; N54-R56 WeakPolarHBondContact OD1-CG 3.36Å; N54-R56 PolarHBondContact OD1-N 3.23Å; N54-N79 PolarHBondContact ND2-ND2 3.23Å |
| 55 | G | 91.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 38% | 0.381 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 77.2 | 4.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 56 | R | 94.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 2% | 0.023 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -84.8 | -11.1 | 174.9 | -62.7 | -175.2 | 178.3 | -156.9 | 2.6 | 114 | N54 D77 N79 Y81 Q100 T106 D109 | N54-R56 VanDerWaalsContact C-N 3.28Å; N54-R56 PolarHBondContact O-N 3.05Å; N54-R56 WeakPolarHBondContact OD1-CB 3.42Å; N54-R56 VanDerWaalsContact OD1-CG 3.31Å; N54-R56 WeakPolarHBondContact OD1-CG 3.36Å; N54-R56 PolarHBondContact OD1-N 3.23Å; R56-D77 IonicContact CZ-OD1 2.79Å; R56-D77 IonicContact CZ-OD2 3.6Å; R56-D77 IonicContact NH2-OD1 3.98Å; R56-D77 PolarHBondContact NH2-OD1 3.23Å; R56-D77 IonicContact NH2-OD2 2.92Å; R56-D77 PolarHBondContact NH2-OD2 3.35Å; R56-N79 PolarHBondContact NH1-O 2.87Å; R56-Y81 HydrophobicContact CB-CD1 3.71Å; R56-Y81 HydrophobicContact CB-CE1 3.85Å; R56-Y81 WeakPolarHBondContact CD-O 3.01Å; R56-Y81 PolarHBondContact NH1-O 3.05Å; R56-Q100 PolarHBondContact O-NE2 2.74Å; R56-T106 HydrophobicContact CB-CG2 4.32Å; R56-T106 HydrophobicContact CG-CG2 4.39Å; R56-D109 IonicContact CZ-OD2 3.03Å; R56-D109 IonicContact NE-OD2 2.86Å; R56-D109 IonicContact NH1-OD2 2.8Å |
| 57 | S | 93.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | trans | -121.4 | 116.7 | 177.5 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | N51 Y81 H83 | N51-S57 PolarHBondContact O-OG 3.26Å; S57-Y81 WeakPolarHBondContact OG-CE1 3.45Å; S57-Y81 PolarHBondContact OG-OH 3.32Å; S57-H83 PolarHBondContact OG-CD2 3.18Å | ||
| 58 | T | 91.3 | Very high | 94.2 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -80.8 | -26.7 | -179.2 | -51.1 | 0 | 0 | 0 | 0 | 112.2 | Q100 | T58-Q100 PolarHBondContact OG1-NE2 3.29Š|
| 59 | Y | 91 | Very high | 94.2 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | trans | -132.7 | 105.4 | -167.8 | -67.3 | -74.8 | 0 | 0 | 0 | 111.4 | D61 V62 T237 T238 | Y59-D61 WeakPolarHBondContact CB-OD1 3.45Å; Y59-D61 PolarHBondContact O-N 3.25Å; Y59-V62 PolarHBondContact O-N 3.16Å; Y59-T237 HydrophobicContact CE2-CG2 3.64Å; Y59-T237 WeakPolarHBondContact CE2-O 3.39Å; Y59-T237 WeakPolarHBondContact OH-CG2 3.24Å; Y59-T238 HydrophobicContact CD1-CG2 4.19Å; Y59-T238 HydrophobicContact CD2-CG2 3.65Å; Y59-T238 HydrophobicContact CE1-CG2 4.48Å; Y59-T238 HydrophobicContact CE2-CG2 3.95Å; Y59-T238 HydrophobicContact CG-CG2 3.79Å | ||
| 60 | A | 91.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 50 Ų | 50 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R39 V62 | R39-A60 PolarHBondContact NH1-O 2.75Å; R39-A60 PolarHBondContact NH2-O 3.25Å; A60-V62 VanDerWaalsContact C-N 3.26Å; A60-V62 PolarHBondContact O-N 2.65Å |
| 61 | D | 90.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.8 | 177.3 | 64.3 | -45.5 | 0 | 0 | 0 | 113.3 | R39 Y59 P63 | R39-D61 VanDerWaalsContact NH1-CA 3.3Å; R39-D61 PolarHBondContact NH1-O 2.66Å; Y59-D61 WeakPolarHBondContact CB-OD1 3.45Å; Y59-D61 PolarHBondContact O-N 3.25Å; D61-P63 WeakPolarHBondContact O-CD 3.5Å |
| 62 | V | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -114.7 | 93.7 | 178.1 | -176 | 0 | 0 | 0 | 0 | 110.2 | Y59 A60 H83 T238 A240 L280 | Y59-V62 PolarHBondContact O-N 3.16Å; A60-V62 VanDerWaalsContact C-N 3.26Å; A60-V62 PolarHBondContact O-N 2.65Å; V62-H83 PolarHBondContact O-CE1 2.89Å; V62-H83 PolarHBondContact O-NE2 2.89Å; V62-T238 HydrophobicContact CG2-CG2 4.27Å; V62-A240 HydrophobicContact CG1-CB 3.69Å; V62-A240 HydrophobicContact CG2-CB 4.46Å; V62-L280 HydrophobicContact CG2-CD1 4.27Å; V62-L280 HydrophobicContact CG2-CD2 4.22Å |
| 63 | P | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 151.2 | 179.8 | -18.9 | 32.1 | 0 | 0 | 0 | 113.2 | R39 P40 T45 F48 D61 A276 | R39-P63 HydrophobicContact CG-CG 3.92Å; P40-P63 HydrophobicContact CG-CB 4.16Å; P40-P63 HydrophobicContact CG-CG 4.24Å; T45-P63 HydrophobicContact CG2-CB 3.58Å; F48-P63 HydrophobicContact CD1-CB 4.06Å; F48-P63 HydrophobicContact CE1-CB 4.03Å; D61-P63 WeakPolarHBondContact O-CD 3.5Å; P63-A276 HydrophobicContact CB-CB 4.42Å; P63-A276 WeakPolarHBondContact O-CB 3.33Å |
| 64 | C | 97.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -102.1 | 122.7 | 166.7 | -168 | 0 | 0 | 0 | 0 | 109.5 | F48 Y81 S85 | F48-C64 HydrophobicContact CB-CB 4.04Å; F48-C64 WeakPolarHBondContact CB-O 3.43Å; F48-C64 HydrophobicContact CD2-CB 4.16Å; F48-C64 HydrophobicContact CG-CB 4.34Å; C64-Y81 HydrophobicContact CB-CE2 4.38Å; C64-S85 PolarHBondContact SG-OG 3.32Å |
| 65 | L | 98.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 134.9 | 179.9 | -68.7 | 168.5 | 0 | 0 | 0 | 110.7 | P40 L44 T45 E67 R69 Q273 | P40-L65 HydrophobicContact CB-CD2 3.68Å; P40-L65 HydrophobicContact CG-CD2 3.71Å; L44-L65 HydrophobicContact CB-CD2 4.01Å; L44-L65 WeakPolarHBondContact O-CA 3.34Å; T45-L65 HydrophobicContact CG2-CD2 4.01Å; L65-E67 VanDerWaalsContact C-N 3.31Å; L65-E67 PolarHBondContact O-N 2.79Å; L65-R69 WeakPolarHBondContact O-CB 3.3Å; L65-R69 PolarHBondContact O-N 3.36Å; L65-Q273 WeakPolarHBondContact CD1-O 3.5Å |
| 66 | D | 98.1 | Very high | 94.4 | Very high | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -34.2 | -177 | -66.1 | -27.1 | 0 | 0 | 0 | 112.4 | L44 T45 R46 V47 | L44-D66 PolarHBondContact O-N 3.44Å; T45-D66 PolarHBondContact N-OD2 3.4Å; R46-D66 WeakPolarHBondContact CB-OD2 3.27Å; R46-D66 PolarHBondContact N-OD1 3.11Å; R46-D66 PolarHBondContact N-OD2 2.96Å; V47-D66 VanDerWaalsContact CB-OD1 3.31Å; V47-D66 WeakPolarHBondContact CB-OD1 3.24Å; V47-D66 WeakPolarHBondContact CG2-OD1 3.42Å; V47-D66 PolarHBondContact N-OD1 3.02Å |
| 67 | E | 97.7 | Very high | 94.3 | Very high | 179 Ų | 179 | 51.6 Ų | 51.6 | 84% | 0.836 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -41.3 | -176.5 | -177.1 | 174.9 | -177.3 | 0 | 0 | 112.4 | L65 | L65-E67 VanDerWaalsContact C-N 3.31Å; L65-E67 PolarHBondContact O-N 2.79Å |
| 68 | T | 97.4 | Very high | 94.4 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 12% | 0.117 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -0.6 | -173.5 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | S85 W86 Q274 | T68-S85 CarbonylContact O-C 3.6Å; T68-S85 VanDerWaalsContact O-CA 3.32Å; T68-S85 WeakPolarHBondContact O-CA 3.34Å; T68-W86 PolarHBondContact O-N 3.49Å; T68-Q274 WeakPolarHBondContact CB-O 3.31Å; T68-Q274 HydrophobicContact CG2-CB 3.98Å; T68-Q274 HydrophobicContact CG2-CG 4.05Å; T68-Q274 PolarHBondContact OG1-O 2.86Å |
| 69 | R | 97.2 | Very high | 94.5 | Very high | 26 Ų | 26 | 53 Ų | 53 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 147.8 | 178.4 | 73.8 | -177.3 | -175 | 89.7 | -4 | 111.6 | L65 K71 D80 A84 | L65-R69 WeakPolarHBondContact O-CB 3.3Å; L65-R69 PolarHBondContact O-N 3.36Å; R69-K71 HydrophobicContact CG-CG 4.39Å; R69-D80 IonicContact CZ-OD1 2.76Å; R69-D80 IonicContact CZ-OD2 3.5Å; R69-D80 VanDerWaalsContact NH1-CG 3.32Å; R69-D80 IonicContact NH1-OD1 3.27Å; R69-D80 PolarHBondContact NH1-OD1 3.21Å; R69-D80 IonicContact NH1-OD2 2.72Å; R69-D80 PolarHBondContact NH1-OD2 3.41Å; R69-D80 IonicContact NH2-OD1 2.8Å; R69-D80 PolarHBondContact NH2-OD1 3.06Å; R69-D80 IonicContact NH2-OD2 3.77Å; R69-D80 PolarHBondContact NH2-OD2 3.4Å; R69-A84 CarbonylContact C-O 3.57Å; R69-A84 VanDerWaalsContact CA-O 3.32Å; R69-A84 WeakPolarHBondContact CA-O 3.33Å |
| 70 | I | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137.8 | 164.7 | -50.6 | -59 | 0 | 0 | 0 | 109.1 | I82 A84 W86 I97 M113 F119 | I70-I82 HydrophobicContact CB-CG2 4.01Å; I70-I82 HydrophobicContact CG2-CG2 4.28Å; I70-A84 HydrophobicContact CB-CB 4.09Å; I70-A84 HydrophobicContact CG1-CB 3.65Å; I70-A84 PolarHBondContact N-O 2.93Å; I70-W86 HydrophobicContact CD1-CB 4.44Å; I70-W86 HydrophobicContact CD1-CD2 3.57Å; I70-W86 HydrophobicContact CD1-CE3 4.45Å; I70-W86 HydrophobicContact CD1-CG 3.54Å; I70-W86 HydrophobicContact CD1-CZ2 3.95Å; I70-I97 HydrophobicContact CD1-CD1 4.19Å; I70-I97 HydrophobicContact CD1-CG1 4.08Å; I70-I97 HydrophobicContact CD1-CG2 4.36Å; I70-I97 HydrophobicContact CG1-CG2 4.03Å; I70-M113 HydrophobicContact CB-SD 4.09Å; I70-M113 HydrophobicContact CG1-SD 3.9Å; I70-M113 HydrophobicContact CG2-CG 3.83Å; I70-M113 HydrophobicContact CG2-SD 4Å; I70-F119 HydrophobicContact CG2-CZ 4.11Å |
| 71 | K | 95.6 | Very high | 95.1 | Very high | 117 Ų | 117 | 48.7 Ų | 48.7 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.4 | 173.6 | -48.2 | -168.3 | -179.9 | 171.7 | 0 | 108.5 | R69 T73 Q116 | R69-K71 HydrophobicContact CG-CG 4.39Å; K71-T73 PolarHBondContact O-N 3.19Å; K71-Q116 PolarHBondContact O-NE2 2.93Å; K71-Q116 PolarHBondContact O-OE1 3.47Å; K71-Q116 VanDerWaalsContact O-OE1 3.13Å |
| 72 | L | 95 | Very high | 95.4 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -67.2 | 124.9 | 176.7 | -60 | 174.5 | 0 | 0 | 0 | 109.4 | P75 D80 I82 D109 M113 | L72-P75 HydrophobicContact CB-CB 4.37Å; L72-D80 PolarHBondContact N-O 3.07Å; L72-I82 HydrophobicContact CD1-CB 4.33Å; L72-I82 HydrophobicContact CD2-CB 4.29Å; L72-I82 HydrophobicContact CD2-CG2 3.85Å; L72-I82 HydrophobicContact CG-CB 4.29Å; L72-I82 HydrophobicContact CG-CG2 4Å; L72-D109 HydrophobicContact CD1-CB 3.77Å; L72-D109 WeakPolarHBondContact CD2-O 3.32Å; L72-M113 HydrophobicContact CD2-CB 3.82Å | ||
| 73 | T | 92.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 45 Ų | 45 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -79.2 | -23.7 | 179.2 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | K71 P75 H118 | K71-T73 PolarHBondContact O-N 3.19Å; T73-P75 VanDerWaalsContact C-CD 3.48Å; T73-H118 HydrophobicContact CG2-CB 4.33Å |
| 74 | T | 90 | Very high | 95.6 | Very high | 75 Ų | 75 | 45 Ų | 45 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -129.1 | 64.9 | 178.7 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 75 | P | 92.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 45 Ų | 45 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | trans | -64.7 | 144.4 | -178.8 | 29.1 | -34.7 | 0 | 0 | 0 | 111.1 | L72 T73 D77 N79 | L72-P75 HydrophobicContact CB-CB 4.37Å; T73-P75 VanDerWaalsContact C-CD 3.48Å; P75-D77 VanDerWaalsContact C-N 3.32Å; P75-D77 PolarHBondContact O-N 3.4Å; P75-N79 WeakPolarHBondContact CB-O 3.43Å | ||
| 76 | R | 91.3 | Very high | 95.6 | Very high | 112 Ų | 112 | 46 Ų | 46 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -69.9 | -23.6 | -176.8 | 59.7 | -179.2 | 165.2 | 162.9 | -1.3 | 114.9 | E105 V108 D109 | R76-E105 PolarHBondContact NH1-O 3.4Å; R76-E105 PolarHBondContact NH2-O 2.93Å; R76-V108 HydrophobicContact CB-CG1 4.33Å; R76-D109 WeakPolarHBondContact CD-OD1 3.29Å; R76-D109 IonicContact CZ-OD1 3.9Å; R76-D109 IonicContact CZ-OD2 3.98Å; R76-D109 IonicContact NE-OD1 2.75Å; R76-D109 PolarHBondContact NE-OD1 2.86Å; R76-D109 IonicContact NE-OD2 2.83Å; R76-D109 PolarHBondContact NE-OD2 3.2Å; R76-D109 IonicContact NH2-OD1 2.92Å; R76-D109 IonicContact NH2-OD2 3.8Å; R76-D109 PolarHBondContact NH2-OD2 3.32Å |
| 77 | D | 92.9 | Very high | 95.6 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 54% | 0.54 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -138.4 | 17.6 | -171.9 | 59.4 | 2.5 | 0 | 0 | 0 | 112.4 | R56 P75 N79 | R56-D77 IonicContact CZ-OD1 2.79Å; R56-D77 IonicContact CZ-OD2 3.6Å; R56-D77 IonicContact NH2-OD1 3.98Å; R56-D77 PolarHBondContact NH2-OD1 3.23Å; R56-D77 IonicContact NH2-OD2 2.92Å; R56-D77 PolarHBondContact NH2-OD2 3.35Å; P75-D77 VanDerWaalsContact C-N 3.32Å; P75-D77 PolarHBondContact O-N 3.4Å; D77-N79 PolarHBondContact O-N 2.95Å; D77-N79 WeakPolarHBondContact OD1-CB 3.27Å; D77-N79 PolarHBondContact OD1-N 3.29Å |
| 78 | G | 94.1 | Very high | 95.5 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 69% | 0.691 | 22% | 0.216 | S | C | * | . | S | Bend | trans | 81.9 | -10.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 79 | N | 95 | Very high | 95.3 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | trans | -88.3 | 114.7 | 175.1 | -178.8 | -2.2 | 0 | 0 | 0 | 110.7 | N51 N54 R56 P75 D77 Y81 | N51-N79 PolarHBondContact OD1-ND2 2.9Å; N51-N79 PolarHBondContact OD1-OD1 3.45Å; N54-N79 PolarHBondContact ND2-ND2 3.23Å; R56-N79 PolarHBondContact NH1-O 2.87Å; P75-N79 WeakPolarHBondContact CB-O 3.43Å; D77-N79 PolarHBondContact O-N 2.95Å; D77-N79 WeakPolarHBondContact OD1-CB 3.27Å; D77-N79 PolarHBondContact OD1-N 3.29Å; N79-Y81 PolarHBondContact O-N 3.38Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.47Å; N79-Y81 PolarHBondContact OD1-N 2.88Å | ||
| 80 | D | 96.3 | Very high | 94.8 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | trans | -77.4 | -0.3 | -176.2 | 81.7 | -9 | 0 | 0 | 0 | 114.5 | R69 L72 | R69-D80 IonicContact CZ-OD1 2.76Å; R69-D80 IonicContact CZ-OD2 3.5Å; R69-D80 VanDerWaalsContact NH1-CG 3.32Å; R69-D80 IonicContact NH1-OD1 3.27Å; R69-D80 PolarHBondContact NH1-OD1 3.21Å; R69-D80 IonicContact NH1-OD2 2.72Å; R69-D80 PolarHBondContact NH1-OD2 3.41Å; R69-D80 IonicContact NH2-OD1 2.8Å; R69-D80 PolarHBondContact NH2-OD1 3.06Å; R69-D80 IonicContact NH2-OD2 3.77Å; R69-D80 PolarHBondContact NH2-OD2 3.4Å; L72-D80 PolarHBondContact N-O 3.07Å | ||
| 81 | Y | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.5 | -171.3 | -178.5 | -100.6 | 0 | 0 | 0 | 112.9 | V47 F48 N51 R56 S57 C64 N79 H83 | V47-Y81 HydrophobicContact CG1-CD2 3.71Å; V47-Y81 HydrophobicContact CG1-CE2 4.47Å; V47-Y81 HydrophobicContact CG1-CG 4.44Å; F48-Y81 WeakPolarHBondContact CD2-OH 3.37Å; N51-Y81 HydrophobicContact CB-CD1 3.38Å; N51-Y81 HydrophobicContact CB-CD2 4.28Å; N51-Y81 HydrophobicContact CB-CE1 3.61Å; N51-Y81 HydrophobicContact CB-CE2 4.47Å; N51-Y81 HydrophobicContact CB-CG 3.75Å; N51-Y81 VanDerWaalsContact CG-CG 3.44Å; N51-Y81 WeakPolarHBondContact OD1-CB 3.39Å; R56-Y81 HydrophobicContact CB-CD1 3.71Å; R56-Y81 HydrophobicContact CB-CE1 3.85Å; R56-Y81 WeakPolarHBondContact CD-O 3.01Å; R56-Y81 PolarHBondContact NH1-O 3.05Å; S57-Y81 WeakPolarHBondContact OG-CE1 3.45Å; S57-Y81 PolarHBondContact OG-OH 3.32Å; C64-Y81 HydrophobicContact CB-CE2 4.38Å; N79-Y81 PolarHBondContact O-N 3.38Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.47Å; N79-Y81 PolarHBondContact OD1-N 2.88Å; Y81-H83 HydrophobicContact CE1-CB 4.31Å; Y81-H83 WeakPolarHBondContact OH-CB 3.41Å; Y81-H83 PolarHBondContact OH-CD2 2.85Å |
| 82 | I | 97.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 143.4 | 160.8 | -179.5 | 165.9 | 0 | 0 | 0 | 107.7 | I70 L72 A84 D109 F110 M113 | I70-I82 HydrophobicContact CB-CG2 4.01Å; I70-I82 HydrophobicContact CG2-CG2 4.28Å; L72-I82 HydrophobicContact CD1-CB 4.33Å; L72-I82 HydrophobicContact CD2-CB 4.29Å; L72-I82 HydrophobicContact CD2-CG2 3.85Å; L72-I82 HydrophobicContact CG-CB 4.29Å; L72-I82 HydrophobicContact CG-CG2 4Å; I82-A84 HydrophobicContact CG1-CB 4.35Å; I82-A84 HydrophobicContact CG2-CB 4.2Å; I82-A84 PolarHBondContact O-N 3.43Å; I82-D109 HydrophobicContact CD1-CB 4.08Å; I82-F110 HydrophobicContact CD1-CB 4.49Å; I82-M113 HydrophobicContact CD1-CB 4.04Å; I82-M113 HydrophobicContact CD1-CE 3.89Å; I82-M113 HydrophobicContact CD1-SD 3.95Å; I82-M113 HydrophobicContact CG2-SD 4.18Å |
| 83 | H | 97.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 66.8 | 179.4 | -161.1 | -44.4 | 0 | 0 | 0 | 112.2 | F48 S57 V62 Y81 T99 Q100 R275 | F48-H83 AromaticContact CD2-CD2 3.86Å; F48-H83 AromaticContact CD2-NE2 3.78Å; F48-H83 AromaticContact CE2-CD2 3.67Å; F48-H83 AromaticContact CE2-NE2 3.43Å; F48-H83 WeakPolarHBondContact CE2-NE2 3.44Å; S57-H83 PolarHBondContact OG-CD2 3.18Å; V62-H83 PolarHBondContact O-CE1 2.89Å; V62-H83 PolarHBondContact O-NE2 2.89Å; Y81-H83 HydrophobicContact CE1-CB 4.31Å; Y81-H83 WeakPolarHBondContact OH-CB 3.41Å; Y81-H83 PolarHBondContact OH-CD2 2.85Å; H83-T99 PolarHBondContact O-OG1 3.48Å; H83-T99 VanDerWaalsContact O-OG1 3.08Å; H83-Q100 HydrophobicContact CB-CG 4.25Å; H83-Q100 PolarHBondContact O-N 2.97Å; H83-R275 PolarHBondContact CE1-NH1 3.39Å; H83-R275 VanDerWaalsContact CE1-NH1 3.34Å; H83-R275 PolarHBondContact CE1-NH2 2.87Å; H83-R275 PolarHBondContact ND1-NH1 3.43Å; H83-R275 PolarHBondContact ND1-NH2 2.7Å |
| 84 | A | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 147.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | R69 I70 I82 I97 L98 M113 | R69-A84 CarbonylContact C-O 3.57Å; R69-A84 VanDerWaalsContact CA-O 3.32Å; R69-A84 WeakPolarHBondContact CA-O 3.33Å; I70-A84 HydrophobicContact CB-CB 4.09Å; I70-A84 HydrophobicContact CG1-CB 3.65Å; I70-A84 PolarHBondContact N-O 2.93Å; I82-A84 HydrophobicContact CG1-CB 4.35Å; I82-A84 HydrophobicContact CG2-CB 4.2Å; I82-A84 PolarHBondContact O-N 3.43Å; A84-I97 HydrophobicContact CB-CG2 4.04Å; A84-L98 CarbonylContact C-O 3.46Å; A84-L98 WeakPolarHBondContact CA-O 3.45Å; A84-M113 HydrophobicContact CB-CE 4.2Å; A84-M113 HydrophobicContact CB-SD 3.42Å; A84-M113 WeakPolarHBondContact CB-SD 3.4Å |
| 85 | S | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.4 | 178.7 | -42.7 | 0 | 0 | 0 | 0 | 110.8 | C64 T68 I97 L98 Q274 R275 | C64-S85 PolarHBondContact SG-OG 3.32Å; T68-S85 CarbonylContact O-C 3.6Å; T68-S85 VanDerWaalsContact O-CA 3.32Å; T68-S85 WeakPolarHBondContact O-CA 3.34Å; S85-I97 WeakPolarHBondContact O-CA 3.48Å; S85-L98 PolarHBondContact N-O 2.8Å; S85-L98 PolarHBondContact O-N 2.99Å; S85-Q274 VanDerWaalsContact CB-O 3.24Å; S85-Q274 WeakPolarHBondContact CB-O 3.5Å; S85-R275 WeakPolarHBondContact OG-CD 3.21Å; S85-R275 PolarHBondContact OG-NH1 2.77Å; S85-R275 VanDerWaalsContact OG-NH1 3.14Å |
| 86 | W | 97 | Very high | 94 | Very high | 35 Ų | 35 | 37.8 Ų | 37.8 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 138.1 | 161.9 | -76.4 | 115.6 | 0 | 0 | 0 | 109.6 | T68 I70 N95 F96 I97 F119 T231 Q274 | T68-W86 PolarHBondContact O-N 3.49Å; I70-W86 HydrophobicContact CD1-CB 4.44Å; I70-W86 HydrophobicContact CD1-CD2 3.57Å; I70-W86 HydrophobicContact CD1-CE3 4.45Å; I70-W86 HydrophobicContact CD1-CG 3.54Å; I70-W86 HydrophobicContact CD1-CZ2 3.95Å; W86-N95 HydrophobicContact CE3-CB 4.36Å; W86-N95 HydrophobicContact CZ3-CB 3.99Å; W86-F96 WeakPolarHBondContact CA-O 3.22Å; W86-I97 HydrophobicContact CD2-CG1 4.29Å; W86-I97 HydrophobicContact CE3-CG1 3.76Å; W86-I97 HydrophobicContact CH2-CD1 3.77Å; W86-I97 HydrophobicContact CH2-CG1 3.84Å; W86-I97 HydrophobicContact CZ2-CD1 4.16Å; W86-I97 HydrophobicContact CZ2-CG1 4.34Å; W86-I97 HydrophobicContact CZ3-CD1 4Å; W86-I97 HydrophobicContact CZ3-CG1 3.52Å; W86-F119 HydrophobicContact CH2-CD1 4.44Å; W86-F119 HydrophobicContact CH2-CE1 4.45Å; W86-F119 AromaticContact CZ2-CD1 3.76Å; W86-F119 HydrophobicContact CZ2-CD1 3.76Å; W86-F119 HydrophobicContact CZ2-CD2 4.35Å; W86-F119 AromaticContact CZ2-CE1 3.42Å; W86-F119 HydrophobicContact CZ2-CE1 3.42Å; W86-F119 VanDerWaalsContact CZ2-CE1 3.42Å; W86-F119 HydrophobicContact CZ2-CE2 4.02Å; W86-F119 HydrophobicContact CZ2-CG 4.26Å; W86-F119 AromaticContact CZ2-CZ 3.55Å; W86-F119 HydrophobicContact CZ2-CZ 3.55Å; W86-T231 HydrophobicContact CH2-CG2 3.93Å; W86-T231 HydrophobicContact CZ3-CG2 3.7Å; W86-Q274 WeakPolarHBondContact O-CB 3.38Å |
| 87 | V | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 107 | 164.8 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | L89 F96 L98 V247 I271 Q274 R275 | V87-L89 HydrophobicContact CG1-CD2 4.4Å; V87-L89 HydrophobicContact CG1-CG 4.34Å; V87-F96 HydrophobicContact CB-CB 4.16Å; V87-F96 PolarHBondContact N-O 3.4Å; V87-F96 WeakPolarHBondContact O-CB 3.24Å; V87-F96 PolarHBondContact O-N 3.14Å; V87-F96 VanDerWaalsContact O-N 3.07Å; V87-L98 HydrophobicContact CB-CG 4.43Å; V87-L98 HydrophobicContact CG2-CB 4.37Å; V87-L98 HydrophobicContact CG2-CD1 3.85Å; V87-L98 HydrophobicContact CG2-CG 3.78Å; V87-V247 HydrophobicContact CG1-CG1 4.23Å; V87-I271 HydrophobicContact CG1-CG1 4.33Å; V87-I271 HydrophobicContact CG1-CG2 4.24Å; V87-Q274 HydrophobicContact CG2-CB 4.13Å; V87-R275 HydrophobicContact CG2-CB 3.82Å |
| 88 | K | 95.5 | Very high | 94.6 | Very high | 93 Ų | 93 | 27.6 Ų | 27.6 | 40% | 0.404 | 17% | 0.165 | S | C | . | . | trans | -109.1 | 119.3 | 178.5 | -60.9 | -170 | 177.1 | -166.3 | 0 | 108.3 | E121 Q274 | K88-E121 IonicContact NZ-OE1 3.85Å; K88-E121 IonicContact NZ-OE2 3.45Å; K88-Q274 PolarHBondContact O-NE2 3.16Å; K88-Q274 PolarHBondContact O-OE1 3.21Å | ||
| 89 | L | 94.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | trans | -110.4 | 128.5 | 175.1 | -60.1 | 178.7 | 0 | 0 | 0 | 108 | V87 E91 A92 V247 K270 I271 | V87-L89 HydrophobicContact CG1-CD2 4.4Å; V87-L89 HydrophobicContact CG1-CG 4.34Å; L89-E91 PolarHBondContact O-N 3.12Å; L89-E91 VanDerWaalsContact O-N 3.16Å; L89-A92 HydrophobicContact CB-CB 3.99Å; L89-A92 WeakPolarHBondContact O-CB 3.34Å; L89-A92 PolarHBondContact O-N 3.21Å; L89-A92 VanDerWaalsContact O-N 3.08Å; L89-V247 HydrophobicContact CD1-CG1 3.76Å; L89-K270 HydrophobicContact CD2-CB 4.13Å; L89-I271 HydrophobicContact CD1-CG1 4.38Å; L89-I271 HydrophobicContact CD2-CG1 4.18Å | ||
| 90 | P | 85.4 | Confident | 94.9 | Very high | 109 Ų | 109 | 22.8 Ų | 22.8 | 71% | 0.708 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37 | -175.5 | -27.8 | 34.3 | 0 | 0 | 0 | 113.7 | ||
| 91 | E | 84.7 | Confident | 94.8 | Very high | 98 Ų | 98 | 21.6 Ų | 21.6 | 46% | 0.458 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.2 | -174.2 | -47.5 | 82.5 | 177.1 | 0 | 0 | 112.7 | L89 K270 | L89-E91 PolarHBondContact O-N 3.12Å; L89-E91 VanDerWaalsContact O-N 3.16Å; E91-K270 IonicContact OE1-NZ 3.94Å; E91-K270 PolarHBondContact OE1-NZ 3.34Å; E91-K270 IonicContact OE2-NZ 3.9Å |
| 92 | A | 89.1 | Confident | 94.8 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | trans | -79.8 | 141.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L89 C94 F96 K229 | L89-A92 HydrophobicContact CB-CB 3.99Å; L89-A92 WeakPolarHBondContact O-CB 3.34Å; L89-A92 PolarHBondContact O-N 3.21Å; L89-A92 VanDerWaalsContact O-N 3.08Å; A92-C94 VanDerWaalsContact C-N 3.34Å; A92-C94 WeakPolarHBondContact CB-O 3.27Å; A92-F96 HydrophobicContact CB-CE2 4.08Å; A92-K229 WeakPolarHBondContact O-CE 3.49Å; A92-K229 PolarHBondContact O-NZ 3.37Å | ||
| 93 | S | 89.8 | Confident | 94.6 | Very high | 58 Ų | 58 | 22.9 Ų | 22.9 | 41% | 0.406 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -78.4 | -10.5 | 172.2 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | K229 R250 | S93-K229 WeakPolarHBondContact O-CE 3.24Å; S93-K229 WeakPolarHBondContact O-CG 3.39Å; S93-R250 PolarHBondContact OG-NH2 3.07Å |
| 94 | C | 92.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -126.6 | 165.8 | 173.4 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | A92 F96 I221 K229 P230 V232 | A92-C94 VanDerWaalsContact C-N 3.34Å; A92-C94 WeakPolarHBondContact CB-O 3.27Å; C94-F96 WeakPolarHBondContact SG-CE1 3.34Å; C94-F96 WeakPolarHBondContact SG-CZ 3.16Å; C94-I221 HydrophobicContact CB-CD1 3.79Å; C94-I221 HydrophobicContact CB-CG1 4.06Å; C94-I221 HydrophobicContact CB-CG2 4.19Å; C94-I221 WeakPolarHBondContact SG-CD1 3.34Å; C94-K229 VanDerWaalsContact N-CE 3.3Å; C94-K229 WeakPolarHBondContact O-CE 3.5Å; C94-K229 PolarHBondContact O-NZ 3.01Å; C94-P230 CarbonylContact C-O 3.34Å; C94-P230 WeakPolarHBondContact CA-O 3.29Å; C94-P230 HydrophobicContact CB-CG 4.15Å; C94-P230 VanDerWaalsContact CB-O 3.27Å; C94-P230 WeakPolarHBondContact CB-O 3.38Å; C94-V232 HydrophobicContact CB-CG2 4.16Å |
| 95 | N | 93.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 153.2 | 162.3 | -70 | -27.8 | 0 | 0 | 0 | 109.9 | W86 E121 K229 P230 T231 V232 | W86-N95 HydrophobicContact CE3-CB 4.36Å; W86-N95 HydrophobicContact CZ3-CB 3.99Å; N95-E121 PolarHBondContact ND2-OE1 3.31Å; N95-E121 PolarHBondContact ND2-OE2 3.05Å; N95-K229 WeakPolarHBondContact OD1-CD 3.47Å; N95-K229 PolarHBondContact OD1-NZ 2.88Å; N95-P230 PolarHBondContact N-O 3.43Å; N95-T231 WeakPolarHBondContact O-CA 3.44Å; N95-V232 PolarHBondContact O-N 2.99Å |
| 96 | F | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 143.5 | 177.7 | -57.5 | -77.9 | 0 | 0 | 0 | 111.6 | W86 V87 A92 C94 L98 M217 V232 I234 V247 | W86-F96 WeakPolarHBondContact CA-O 3.22Å; V87-F96 HydrophobicContact CB-CB 4.16Å; V87-F96 PolarHBondContact N-O 3.4Å; V87-F96 WeakPolarHBondContact O-CB 3.24Å; V87-F96 PolarHBondContact O-N 3.14Å; V87-F96 VanDerWaalsContact O-N 3.07Å; A92-F96 HydrophobicContact CB-CE2 4.08Å; C94-F96 WeakPolarHBondContact SG-CE1 3.34Å; C94-F96 WeakPolarHBondContact SG-CZ 3.16Å; F96-L98 HydrophobicContact CB-CD2 4.46Å; F96-M217 HydrophobicContact CE1-CE 4.08Å; F96-V232 VanDerWaalsContact CA-O 3.29Å; F96-V232 WeakPolarHBondContact CA-O 3.38Å; F96-V232 HydrophobicContact CD1-CB 4.12Å; F96-V232 HydrophobicContact CE1-CB 4.33Å; F96-I234 HydrophobicContact CD1-CD1 3.56Å; F96-I234 HydrophobicContact CD1-CG1 4.38Å; F96-I234 HydrophobicContact CE1-CD1 3.94Å; F96-I234 HydrophobicContact CG-CD1 4.5Å; F96-V247 HydrophobicContact CB-CG2 4.44Å; F96-V247 HydrophobicContact CD1-CG2 4.01Å; F96-V247 HydrophobicContact CD2-CG1 3.95Å; F96-V247 HydrophobicContact CD2-CG2 4.28Å; F96-V247 HydrophobicContact CE1-CG2 4.32Å; F96-V247 HydrophobicContact CE2-CG1 4.04Å; F96-V247 HydrophobicContact CG-CG1 4.46Å; F96-V247 HydrophobicContact CG-CG2 3.98Å |
| 97 | I | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.9 | 159.8 | -63 | 176.6 | 0 | 0 | 0 | 107 | I70 A84 S85 W86 M113 V123 T231 V232 L233 I234 | I70-I97 HydrophobicContact CD1-CD1 4.19Å; I70-I97 HydrophobicContact CD1-CG1 4.08Å; I70-I97 HydrophobicContact CD1-CG2 4.36Å; I70-I97 HydrophobicContact CG1-CG2 4.03Å; A84-I97 HydrophobicContact CB-CG2 4.04Å; S85-I97 WeakPolarHBondContact O-CA 3.48Å; W86-I97 HydrophobicContact CD2-CG1 4.29Å; W86-I97 HydrophobicContact CE3-CG1 3.76Å; W86-I97 HydrophobicContact CH2-CD1 3.77Å; W86-I97 HydrophobicContact CH2-CG1 3.84Å; W86-I97 HydrophobicContact CZ2-CD1 4.16Å; W86-I97 HydrophobicContact CZ2-CG1 4.34Å; W86-I97 HydrophobicContact CZ3-CD1 4Å; W86-I97 HydrophobicContact CZ3-CG1 3.52Å; I97-M113 HydrophobicContact CG2-CE 4.17Å; I97-M113 HydrophobicContact CG2-SD 3.8Å; I97-V123 HydrophobicContact CD1-CG2 4.1Å; I97-T231 HydrophobicContact CD1-CG2 3.78Å; I97-T231 HydrophobicContact CG1-CG2 3.78Å; I97-V232 PolarHBondContact N-O 2.98Å; I97-L233 HydrophobicContact CB-CB 4.39Å; I97-L233 HydrophobicContact CB-CG 4.27Å; I97-L233 HydrophobicContact CG2-CD1 4.42Å; I97-L233 HydrophobicContact CG2-CG 4.29Å; I97-L233 WeakPolarHBondContact O-CA 3.49Å; I97-I234 PolarHBondContact O-N 3.44Å |
| 98 | L | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.2 | 172.1 | -61.6 | -162.6 | 0 | 0 | 0 | 109.7 | A84 S85 V87 F96 I234 V247 I271 R275 | A84-L98 CarbonylContact C-O 3.46Å; A84-L98 WeakPolarHBondContact CA-O 3.45Å; S85-L98 PolarHBondContact N-O 2.8Å; S85-L98 PolarHBondContact O-N 2.99Å; V87-L98 HydrophobicContact CB-CG 4.43Å; V87-L98 HydrophobicContact CG2-CB 4.37Å; V87-L98 HydrophobicContact CG2-CD1 3.85Å; V87-L98 HydrophobicContact CG2-CG 3.78Å; F96-L98 HydrophobicContact CB-CD2 4.46Å; L98-I234 WeakPolarHBondContact CA-O 3.46Å; L98-I234 HydrophobicContact CD2-CB 3.7Å; L98-I234 HydrophobicContact CD2-CD1 4.2Å; L98-I234 HydrophobicContact CD2-CG1 4.36Å; L98-I234 HydrophobicContact CD2-CG2 4.37Å; L98-V247 HydrophobicContact CD1-CG2 4.34Å; L98-V247 HydrophobicContact CD2-CG2 3.83Å; L98-I271 HydrophobicContact CD1-CG2 4.48Å; L98-R275 HydrophobicContact CB-CB 4.44Å; L98-R275 HydrophobicContact CB-CG 3.94Å; L98-R275 HydrophobicContact CD1-CB 4.15Å; L98-R275 HydrophobicContact CD1-CG 4.04Å |
| 99 | T | 98.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 156.8 | -175.7 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | H83 F110 M113 L233 I234 H235 G239 | H83-T99 PolarHBondContact O-OG1 3.48Å; H83-T99 VanDerWaalsContact O-OG1 3.08Å; T99-F110 HydrophobicContact CG2-CD2 4.34Å; T99-F110 HydrophobicContact CG2-CE2 3.96Å; T99-M113 HydrophobicContact CG2-CE 4.16Å; T99-L233 HydrophobicContact CG2-CD1 4.47Å; T99-L233 HydrophobicContact CG2-CD2 3.87Å; T99-L233 HydrophobicContact CG2-CG 4.24Å; T99-I234 PolarHBondContact N-O 3.19Å; T99-H235 HydrophobicContact CG2-CB 3.65Å; T99-H235 VanDerWaalsContact O-CA 3.27Å; T99-H235 WeakPolarHBondContact O-CA 3.2Å; T99-H235 WeakPolarHBondContact O-CB 3.18Å; T99-G239 VanDerWaalsContact C-CA 3.47Å; T99-G239 WeakPolarHBondContact O-CA 3.03Å |
| 100 | Q | 96.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 165.4 | 171.5 | 72.4 | -178 | 18 | 0 | 0 | 111.5 | R56 T58 H83 C236 | R56-Q100 PolarHBondContact O-NE2 2.74Å; T58-Q100 PolarHBondContact OG1-NE2 3.29Å; H83-Q100 HydrophobicContact CB-CG 4.25Å; H83-Q100 PolarHBondContact O-N 2.97Å; Q100-C236 CarbonylContact C-O 3.53Å |
| 101 | A | 95.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 25.6 Ų | 25.6 | 17% | 0.174 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 130.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T103 C236 T237 | A101-T103 PolarHBondContact O-N 3.39Å; A101-C236 PolarHBondContact N-O 3.25Å; A101-T237 PolarHBondContact N-O 3.21Å |
| 102 | P | 96.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.032 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 135 | 176.8 | -26.6 | 37.8 | 0 | 0 | 0 | 110.9 | F110 Y143 | P102-F110 HydrophobicContact CB-CB 4.22Å; P102-F110 HydrophobicContact CB-CD2 4.33Å; P102-F110 HydrophobicContact CB-CG 4.19Å; P102-F110 HydrophobicContact CG-CB 4.06Å; P102-F110 HydrophobicContact CG-CD1 4.03Å; P102-F110 HydrophobicContact CG-CD2 3.3Å; P102-F110 HydrophobicContact CG-CE1 4.31Å; P102-F110 HydrophobicContact CG-CE2 3.57Å; P102-F110 HydrophobicContact CG-CG 3.52Å; P102-F110 HydrophobicContact CG-CZ 4.09Å; P102-Y143 HydrophobicContact CB-CD1 3.72Å; P102-Y143 HydrophobicContact CB-CE1 4.47Å; P102-Y143 HydrophobicContact CB-CG 3.93Å; P102-Y143 HydrophobicContact CG-CD1 3.51Å; P102-Y143 HydrophobicContact CG-CD2 4.39Å; P102-Y143 HydrophobicContact CG-CE1 3.8Å; P102-Y143 HydrophobicContact CG-CG 3.84Å |
| 103 | T | 94.4 | Very high | 95.7 | Very high | 29 Ų | 29 | 21.2 Ų | 21.2 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -97.7 | 173.5 | 169.9 | 71.3 | 0 | 0 | 0 | 0 | 109.6 | A101 E105 T106 S107 | A101-T103 PolarHBondContact O-N 3.39Å; T103-E105 WeakPolarHBondContact CB-OE2 3.39Å; T103-E105 PolarHBondContact O-N 3.32Å; T103-E105 PolarHBondContact OG1-N 2.91Å; T103-E105 PolarHBondContact OG1-OE2 3.48Å; T103-T106 PolarHBondContact N-OG1 2.95Å; T103-T106 PolarHBondContact O-N 2.94Å; T103-T106 PolarHBondContact OG1-N 2.98Å; T103-T106 PolarHBondContact OG1-OG1 2.89Å; T103-S107 WeakPolarHBondContact O-CB 3.47Å; T103-S107 PolarHBondContact O-N 2.91Å |
| 104 | K | 94.2 | Very high | 95.9 | Very high | 149 Ų | 149 | 18.7 Ų | 18.7 | 65% | 0.648 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -43.4 | 172.6 | -178.1 | -178.5 | 178.7 | -176 | 0 | 110.7 | S107 F141 | K104-S107 PolarHBondContact O-OG 3.38Å; K104-F141 HydrophobicContact CB-CD2 3.7Å; K104-F141 HydrophobicContact CB-CE2 3.74Å; K104-F141 HydrophobicContact CB-CG 4.29Å; K104-F141 HydrophobicContact CB-CZ 4.38Å; K104-F141 HydrophobicContact CG-CD2 4.32Å; K104-F141 HydrophobicContact CG-CE2 3.87Å; K104-F141 HydrophobicContact CG-CZ 4.43Å |
| 105 | E | 94.1 | Very high | 96 | Very high | 103 Ų | 103 | 19.1 Ų | 19.1 | 48% | 0.481 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -34.6 | -177.5 | -60.7 | 65.6 | -138.4 | 0 | 0 | 111.5 | R76 T103 | R76-E105 PolarHBondContact NH1-O 3.4Å; R76-E105 PolarHBondContact NH2-O 2.93Å; T103-E105 WeakPolarHBondContact CB-OE2 3.39Å; T103-E105 PolarHBondContact O-N 3.32Å; T103-E105 PolarHBondContact OG1-N 2.91Å; T103-E105 PolarHBondContact OG1-OE2 3.48Å |
| 106 | T | 96.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -2.7 | -174.1 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | R56 T103 V108 D109 F110 | R56-T106 HydrophobicContact CB-CG2 4.32Å; R56-T106 HydrophobicContact CG-CG2 4.39Å; T103-T106 PolarHBondContact N-OG1 2.95Å; T103-T106 PolarHBondContact O-N 2.94Å; T103-T106 PolarHBondContact OG1-N 2.98Å; T103-T106 PolarHBondContact OG1-OG1 2.89Å; T106-V108 VanDerWaalsContact C-N 3.29Å; T106-V108 PolarHBondContact O-N 3.45Å; T106-D109 WeakPolarHBondContact O-CB 3.34Å; T106-D109 PolarHBondContact O-N 3.36Å; T106-D109 VanDerWaalsContact O-N 3.1Å; T106-F110 PolarHBondContact O-N 3.47Å |
| 107 | S | 96.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.7 | -36.2 | -178.5 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | T103 K104 W111 F141 H156 | T103-S107 WeakPolarHBondContact O-CB 3.47Å; T103-S107 PolarHBondContact O-N 2.91Å; K104-S107 PolarHBondContact O-OG 3.38Å; S107-W111 PolarHBondContact O-N 3.27Å; S107-W111 VanDerWaalsContact O-N 3.17Å; S107-F141 VanDerWaalsContact CB-CE1 3.41Å; S107-H156 VanDerWaalsContact CB-ND1 3.27Å; S107-H156 WeakPolarHBondContact CB-ND1 3.35Å; S107-H156 PolarHBondContact OG-ND1 3.43Å |
| 108 | V | 96.8 | Very high | 92.4 | Very high | 31 Ų | 31 | 30.4 Ų | 30.4 | 19% | 0.188 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 174.1 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | R76 T106 F110 W111 S112 | R76-V108 HydrophobicContact CB-CG1 4.33Å; T106-V108 VanDerWaalsContact C-N 3.29Å; T106-V108 PolarHBondContact O-N 3.45Å; V108-F110 VanDerWaalsContact C-N 3.31Å; V108-F110 PolarHBondContact O-N 2.88Å; V108-W111 PolarHBondContact O-N 2.97Å; V108-S112 WeakPolarHBondContact O-CB 3.36Å; V108-S112 PolarHBondContact O-N 2.97Å; V108-S112 PolarHBondContact O-OG 3.5Å |
| 109 | D | 96.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 179.2 | -61.5 | -26.2 | 0 | 0 | 0 | 111 | R56 L72 R76 I82 T106 S112 M113 | R56-D109 IonicContact CZ-OD2 3.03Å; R56-D109 IonicContact NE-OD2 2.86Å; R56-D109 IonicContact NH1-OD2 2.8Å; L72-D109 HydrophobicContact CD1-CB 3.77Å; L72-D109 WeakPolarHBondContact CD2-O 3.32Å; R76-D109 WeakPolarHBondContact CD-OD1 3.29Å; R76-D109 IonicContact CZ-OD1 3.9Å; R76-D109 IonicContact CZ-OD2 3.98Å; R76-D109 IonicContact NE-OD1 2.75Å; R76-D109 PolarHBondContact NE-OD1 2.86Å; R76-D109 IonicContact NE-OD2 2.83Å; R76-D109 PolarHBondContact NE-OD2 3.2Å; R76-D109 IonicContact NH2-OD1 2.92Å; R76-D109 IonicContact NH2-OD2 3.8Å; R76-D109 PolarHBondContact NH2-OD2 3.32Å; I82-D109 HydrophobicContact CD1-CB 4.08Å; T106-D109 WeakPolarHBondContact O-CB 3.34Å; T106-D109 PolarHBondContact O-N 3.36Å; T106-D109 VanDerWaalsContact O-N 3.1Å; D109-S112 PolarHBondContact O-N 3.42Å; D109-M113 WeakPolarHBondContact O-CB 3.4Å; D109-M113 PolarHBondContact O-N 3.43Å |
| 110 | F | 97.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 176.5 | 179.1 | -91.7 | 0 | 0 | 0 | 112.2 | I82 T99 P102 T106 V108 M113 V114 I126 Y143 L233 | I82-F110 HydrophobicContact CD1-CB 4.49Å; T99-F110 HydrophobicContact CG2-CD2 4.34Å; T99-F110 HydrophobicContact CG2-CE2 3.96Å; P102-F110 HydrophobicContact CB-CB 4.22Å; P102-F110 HydrophobicContact CB-CD2 4.33Å; P102-F110 HydrophobicContact CB-CG 4.19Å; P102-F110 HydrophobicContact CG-CB 4.06Å; P102-F110 HydrophobicContact CG-CD1 4.03Å; P102-F110 HydrophobicContact CG-CD2 3.3Å; P102-F110 HydrophobicContact CG-CE1 4.31Å; P102-F110 HydrophobicContact CG-CE2 3.57Å; P102-F110 HydrophobicContact CG-CG 3.52Å; P102-F110 HydrophobicContact CG-CZ 4.09Å; T106-F110 PolarHBondContact O-N 3.47Å; V108-F110 VanDerWaalsContact C-N 3.31Å; V108-F110 PolarHBondContact O-N 2.88Å; F110-M113 HydrophobicContact CD2-CE 3.93Å; F110-M113 HydrophobicContact CE2-CE 4.26Å; F110-M113 WeakPolarHBondContact O-CB 3.39Å; F110-M113 PolarHBondContact O-N 3.41Å; F110-V114 HydrophobicContact CD1-CG2 4.25Å; F110-V114 HydrophobicContact CE1-CG2 3.89Å; F110-V114 HydrophobicContact CZ-CG2 4.26Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 3.5Å; F110-I126 HydrophobicContact CE1-CD1 4.14Å; F110-I126 HydrophobicContact CZ-CD1 4.18Å; F110-I126 HydrophobicContact CZ-CG2 4.5Å; F110-Y143 AromaticContact CD1-CD2 3.86Å; F110-Y143 HydrophobicContact CD1-CD2 3.86Å; F110-Y143 HydrophobicContact CD1-CE2 4.15Å; F110-Y143 HydrophobicContact CD1-CG 4.49Å; F110-Y143 AromaticContact CE1-CD2 3.53Å; F110-Y143 HydrophobicContact CE1-CD2 3.53Å; F110-Y143 AromaticContact CE1-CE2 3.35Å; F110-Y143 HydrophobicContact CE1-CE2 3.35Å; F110-Y143 HydrophobicContact CE1-CG 4.44Å; F110-Y143 HydrophobicContact CZ-CD2 4.25Å; F110-Y143 AromaticContact CZ-CE2 3.72Å; F110-Y143 HydrophobicContact CZ-CE2 3.72Å; F110-L233 HydrophobicContact CE2-CD1 3.82Å; F110-L233 HydrophobicContact CE2-CD2 3.72Å; F110-L233 HydrophobicContact CE2-CG 4.45Å; F110-L233 HydrophobicContact CZ-CD1 3.95Å; F110-L233 HydrophobicContact CZ-CD2 3.8Å |
| 111 | W | 96.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.6 | -32.2 | 178.7 | -78.3 | 107.7 | 0 | 0 | 0 | 113 | S107 V108 M113 V114 W115 I126 Y143 W144 H156 I159 M161 I177 T179 | S107-W111 PolarHBondContact O-N 3.27Å; S107-W111 VanDerWaalsContact O-N 3.17Å; V108-W111 PolarHBondContact O-N 2.97Å; W111-M113 VanDerWaalsContact C-N 3.3Å; W111-M113 PolarHBondContact O-N 3.27Å; W111-V114 HydrophobicContact CE3-CB 3.99Å; W111-V114 HydrophobicContact CE3-CG1 3.91Å; W111-V114 HydrophobicContact CE3-CG2 4.3Å; W111-V114 HydrophobicContact CZ3-CB 4.4Å; W111-V114 HydrophobicContact CZ3-CG1 3.87Å; W111-V114 PolarHBondContact O-N 3.2Å; W111-W115 WeakPolarHBondContact O-CB 3.22Å; W111-W115 PolarHBondContact O-N 3.19Å; W111-I126 HydrophobicContact CH2-CD1 4.28Å; W111-I126 HydrophobicContact CZ3-CD1 4.47Å; W111-Y143 HydrophobicContact CZ2-CD2 4.04Å; W111-Y143 HydrophobicContact CZ2-CE2 4.36Å; W111-Y143 AromaticContact NE1-CD2 3.81Å; W111-Y143 PolarHBondContact NE1-O 3.27Å; W111-W144 HydrophobicContact CZ2-CB 4.16Å; W111-H156 HydrophobicContact CB-CB 4.08Å; W111-H156 VanDerWaalsContact CD1-CB 3.43Å; W111-H156 AromaticContact CD1-CD2 3.53Å; W111-H156 AromaticContact CD1-CG 3.49Å; W111-H156 VanDerWaalsContact CD1-CG 3.49Å; W111-H156 HydrophobicContact CG-CB 3.99Å; W111-H156 AromaticContact NE1-CD2 3.53Å; W111-H156 AromaticContact NE1-CG 3.98Å; W111-I159 HydrophobicContact CB-CB 4.38Å; W111-I159 HydrophobicContact CB-CG1 4.19Å; W111-I159 HydrophobicContact CE3-CG2 4.48Å; W111-M161 HydrophobicContact CD2-CE 3.49Å; W111-M161 VanDerWaalsContact CD2-CE 3.49Å; W111-M161 HydrophobicContact CD2-SD 4.32Å; W111-M161 VanDerWaalsContact CE2-SD 3.53Å; W111-M161 HydrophobicContact CE3-CE 4.13Å; W111-M161 HydrophobicContact CG-CE 3.72Å; W111-M161 HydrophobicContact CH2-CE 4.39Å; W111-M161 HydrophobicContact CH2-SD 4.26Å; W111-M161 HydrophobicContact CZ2-CE 3.8Å; W111-M161 HydrophobicContact CZ2-SD 3.48Å; W111-M161 WeakPolarHBondContact CZ2-SD 3.24Å; W111-I177 HydrophobicContact CH2-CG2 4.22Å; W111-T179 HydrophobicContact CE3-CG2 4.37Å; W111-T179 HydrophobicContact CH2-CG2 4.06Å; W111-T179 HydrophobicContact CZ3-CG2 3.7Å |
| 112 | S | 94.6 | Very high | 86.7 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 168.2 | -70.6 | 0 | 0 | 0 | 0 | 111.2 | V108 D109 W115 Q116 | V108-S112 WeakPolarHBondContact O-CB 3.36Å; V108-S112 PolarHBondContact O-N 2.97Å; V108-S112 PolarHBondContact O-OG 3.5Å; D109-S112 PolarHBondContact O-N 3.42Å; S112-W115 PolarHBondContact O-N 3.02Å; S112-Q116 WeakPolarHBondContact O-CG 3.15Å; S112-Q116 PolarHBondContact O-N 3.32Å; S112-Q116 VanDerWaalsContact O-N 3.13Å |
| 113 | M | 95.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 174.9 | 176.1 | 179.6 | 65.1 | 0 | 0 | 112.5 | I70 L72 I82 A84 I97 T99 D109 F110 W111 W115 L233 | I70-M113 HydrophobicContact CB-SD 4.09Å; I70-M113 HydrophobicContact CG1-SD 3.9Å; I70-M113 HydrophobicContact CG2-CG 3.83Å; I70-M113 HydrophobicContact CG2-SD 4Å; L72-M113 HydrophobicContact CD2-CB 3.82Å; I82-M113 HydrophobicContact CD1-CB 4.04Å; I82-M113 HydrophobicContact CD1-CE 3.89Å; I82-M113 HydrophobicContact CD1-SD 3.95Å; I82-M113 HydrophobicContact CG2-SD 4.18Å; A84-M113 HydrophobicContact CB-CE 4.2Å; A84-M113 HydrophobicContact CB-SD 3.42Å; A84-M113 WeakPolarHBondContact CB-SD 3.4Å; I97-M113 HydrophobicContact CG2-CE 4.17Å; I97-M113 HydrophobicContact CG2-SD 3.8Å; T99-M113 HydrophobicContact CG2-CE 4.16Å; D109-M113 WeakPolarHBondContact O-CB 3.4Å; D109-M113 PolarHBondContact O-N 3.43Å; F110-M113 HydrophobicContact CD2-CE 3.93Å; F110-M113 HydrophobicContact CE2-CE 4.26Å; F110-M113 WeakPolarHBondContact O-CB 3.39Å; F110-M113 PolarHBondContact O-N 3.41Å; W111-M113 VanDerWaalsContact C-N 3.3Å; W111-M113 PolarHBondContact O-N 3.27Å; M113-W115 PolarHBondContact O-N 3.4Å; M113-L233 HydrophobicContact CE-CD1 3.44Å; M113-L233 VanDerWaalsContact CE-CD1 3.44Å |
| 114 | V | 95.5 | Very high | 86.2 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -35.7 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | F110 W111 V123 I126 V190 L233 | F110-V114 HydrophobicContact CD1-CG2 4.25Å; F110-V114 HydrophobicContact CE1-CG2 3.89Å; F110-V114 HydrophobicContact CZ-CG2 4.26Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 3.5Å; W111-V114 HydrophobicContact CE3-CB 3.99Å; W111-V114 HydrophobicContact CE3-CG1 3.91Å; W111-V114 HydrophobicContact CE3-CG2 4.3Å; W111-V114 HydrophobicContact CZ3-CB 4.4Å; W111-V114 HydrophobicContact CZ3-CG1 3.87Å; W111-V114 PolarHBondContact O-N 3.2Å; V114-V123 HydrophobicContact CG1-CB 4.17Å; V114-V123 HydrophobicContact CG1-CG1 4.31Å; V114-I126 HydrophobicContact CG2-CD1 4.17Å; V114-V190 HydrophobicContact CG1-CG2 4.24Å; V114-L233 HydrophobicContact CG2-CD1 3.86Å |
| 115 | W | 93.6 | Very high | 86.2 | Confident | 9 Ų | 9 | 37 Ų | 37 | 3% | 0.034 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -92.8 | -2.8 | -174.2 | -94.4 | 80.8 | 0 | 0 | 0 | 116 | W111 S112 M113 D117 I159 T179 H181 E186 R188 | W111-W115 WeakPolarHBondContact O-CB 3.22Å; W111-W115 PolarHBondContact O-N 3.19Å; S112-W115 PolarHBondContact O-N 3.02Å; M113-W115 PolarHBondContact O-N 3.4Å; W115-D117 PolarHBondContact O-N 3.46Å; W115-I159 HydrophobicContact CB-CD1 3.84Å; W115-I159 HydrophobicContact CB-CG1 4.35Å; W115-I159 HydrophobicContact CD2-CD1 3.57Å; W115-I159 HydrophobicContact CE3-CD1 4.21Å; W115-I159 HydrophobicContact CG-CD1 3.37Å; W115-I159 HydrophobicContact CG-CG1 3.95Å; W115-T179 VanDerWaalsContact CE2-OG1 3.31Å; W115-T179 WeakPolarHBondContact CZ2-O 3.27Å; W115-T179 WeakPolarHBondContact CZ2-OG1 3.45Å; W115-T179 VanDerWaalsContact NE1-CB 3.33Å; W115-T179 PolarHBondContact NE1-OG1 3.04Å; W115-H181 HydrophobicContact CD2-CB 4.49Å; W115-H181 HydrophobicContact CE3-CB 3.82Å; W115-H181 HydrophobicContact CH2-CB 3.88Å; W115-H181 HydrophobicContact CZ3-CB 3.49Å; W115-H181 VanDerWaalsContact CZ3-CB 3.49Å; W115-E186 HydrophobicContact CH2-CB 4.24Å; W115-E186 HydrophobicContact CH2-CG 4.3Å; W115-E186 VanDerWaalsContact CH2-O 3.29Å; W115-E186 WeakPolarHBondContact CH2-O 3.47Å; W115-E186 HydrophobicContact CZ3-CB 4.07Å; W115-E186 HydrophobicContact CZ3-CG 4.22Å; W115-R188 VanDerWaalsContact CE3-CZ 3.47Å; W115-R188 HydrophobicContact CH2-CB 3.96Å; W115-R188 HydrophobicContact CH2-CG 3.54Å; W115-R188 HydrophobicContact CZ2-CB 3.73Å; W115-R188 HydrophobicContact CZ2-CG 3.82Å; W115-R188 HydrophobicContact CZ3-CG 4Å; W115-R188 PolarHBondContact O-NH1 2.84Å |
| 116 | Q | 87.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | trans | -49 | 114.9 | -173.1 | -71.7 | -169.9 | -150.7 | 0 | 0 | 113 | K71 S112 H118 F119 | K71-Q116 PolarHBondContact O-NE2 2.93Å; K71-Q116 PolarHBondContact O-OE1 3.47Å; K71-Q116 VanDerWaalsContact O-OE1 3.13Å; S112-Q116 WeakPolarHBondContact O-CG 3.15Å; S112-Q116 PolarHBondContact O-N 3.32Å; S112-Q116 VanDerWaalsContact O-N 3.13Å; Q116-H118 VanDerWaalsContact C-N 3.25Å; Q116-H118 PolarHBondContact O-N 3.4Å; Q116-F119 HydrophobicContact CB-CD2 3.44Å; Q116-F119 VanDerWaalsContact CB-CD2 3.44Å; Q116-F119 HydrophobicContact CB-CE2 3.49Å; Q116-F119 VanDerWaalsContact CB-CE2 3.49Å; Q116-F119 HydrophobicContact CB-CG 4.24Å; Q116-F119 HydrophobicContact CB-CZ 4.31Å; Q116-F119 HydrophobicContact CG-CD2 4.28Å; Q116-F119 HydrophobicContact CG-CE2 3.81Å; Q116-F119 HydrophobicContact CG-CZ 4.48Å; Q116-F119 VanDerWaalsContact NE2-CE2 3.27Å; Q116-F119 PolarHBondContact O-N 2.88Å | ||
| 117 | D | 66.3 | Low | 86.4 | Confident | 83 Ų | 83 | 31.8 Ų | 31.8 | 44% | 0.444 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -23.1 | -174.4 | -67.5 | -37.2 | 0 | 0 | 0 | 113.3 | W115 F119 R188 | W115-D117 PolarHBondContact O-N 3.46Å; D117-F119 VanDerWaalsContact C-N 3.31Å; D117-R188 IonicContact OD1-CZ 2.66Å; D117-R188 IonicContact OD1-NH1 3.37Å; D117-R188 IonicContact OD1-NH2 3.9Å; D117-R188 PolarHBondContact OD1-NH2 3.28Å |
| 118 | H | 59.7 | Low | 86.4 | Confident | 154 Ų | 154 | 31.5 Ų | 31.5 | 71% | 0.713 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -9.1 | 179.2 | -63.4 | -65.4 | 0 | 0 | 0 | 113.8 | T73 Q116 Q120 | T73-H118 HydrophobicContact CG2-CB 4.33Å; Q116-H118 VanDerWaalsContact C-N 3.25Å; Q116-H118 PolarHBondContact O-N 3.4Å; H118-Q120 PolarHBondContact O-N 3.38Å |
| 119 | F | 59.5 | Low | 86.4 | Confident | 38 Ų | 38 | 30.1 Ų | 30.1 | 17% | 0.167 | 15% | 0.146 | C | C | . | . | trans | -75.8 | 112.3 | 168 | -64 | -40.8 | 0 | 0 | 0 | 108.2 | I70 W86 Q116 D117 E121 | I70-F119 HydrophobicContact CG2-CZ 4.11Å; W86-F119 HydrophobicContact CH2-CD1 4.44Å; W86-F119 HydrophobicContact CH2-CE1 4.45Å; W86-F119 AromaticContact CZ2-CD1 3.76Å; W86-F119 HydrophobicContact CZ2-CD1 3.76Å; W86-F119 HydrophobicContact CZ2-CD2 4.35Å; W86-F119 AromaticContact CZ2-CE1 3.42Å; W86-F119 HydrophobicContact CZ2-CE1 3.42Å; W86-F119 VanDerWaalsContact CZ2-CE1 3.42Å; W86-F119 HydrophobicContact CZ2-CE2 4.02Å; W86-F119 HydrophobicContact CZ2-CG 4.26Å; W86-F119 AromaticContact CZ2-CZ 3.55Å; W86-F119 HydrophobicContact CZ2-CZ 3.55Å; Q116-F119 HydrophobicContact CB-CD2 3.44Å; Q116-F119 VanDerWaalsContact CB-CD2 3.44Å; Q116-F119 HydrophobicContact CB-CE2 3.49Å; Q116-F119 VanDerWaalsContact CB-CE2 3.49Å; Q116-F119 HydrophobicContact CB-CG 4.24Å; Q116-F119 HydrophobicContact CB-CZ 4.31Å; Q116-F119 HydrophobicContact CG-CD2 4.28Å; Q116-F119 HydrophobicContact CG-CE2 3.81Å; Q116-F119 HydrophobicContact CG-CZ 4.48Å; Q116-F119 VanDerWaalsContact NE2-CE2 3.27Å; Q116-F119 PolarHBondContact O-N 2.88Å; D117-F119 VanDerWaalsContact C-N 3.31Å; F119-E121 PolarHBondContact O-N 3.33Å; F119-E121 VanDerWaalsContact O-N 3.11Å | ||
| 120 | Q | 59.3 | Low | 85.9 | Confident | 155 Ų | 155 | 30.4 Ų | 30.4 | 72% | 0.724 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -54.8 | -23.1 | 158.5 | -62.9 | -175.6 | -19.9 | 0 | 0 | 110.5 | H118 T228 | H118-Q120 PolarHBondContact O-N 3.38Å; Q120-T228 HydrophobicContact CB-CG2 3.68Å; Q120-T228 PolarHBondContact O-OG1 3.01Å |
| 121 | E | 65.6 | Low | 85 | Confident | 38 Ų | 38 | 32 Ų | 32 | 18% | 0.178 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -101.4 | 77.8 | -174.9 | -48.9 | 174.6 | 165.1 | 0 | 0 | 110.6 | K88 N95 F119 T231 | K88-E121 IonicContact NZ-OE1 3.85Å; K88-E121 IonicContact NZ-OE2 3.45Å; N95-E121 PolarHBondContact ND2-OE1 3.31Å; N95-E121 PolarHBondContact ND2-OE2 3.05Å; F119-E121 PolarHBondContact O-N 3.33Å; F119-E121 VanDerWaalsContact O-N 3.11Å; E121-T231 WeakPolarHBondContact CB-OG1 3.4Å; E121-T231 PolarHBondContact O-OG1 3.12Å |
| 122 | K | 82.9 | Confident | 84.1 | Confident | 81 Ų | 81 | 32.7 Ų | 32.7 | 35% | 0.352 | 16% | 0.158 | S | C | . | . | trans | -59.6 | 139.5 | 179.7 | -63.3 | -173.7 | 179 | -171.4 | 0 | 111.4 | T124 E186 | K122-T124 PolarHBondContact O-N 3.09Å; K122-E186 IonicContact NZ-OE1 3.03Å; K122-E186 PolarHBondContact NZ-OE1 2.9Å | ||
| 123 | V | 92.4 | Very high | 83.2 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 112.9 | 170.4 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | I97 V114 I126 T231 L233 | I97-V123 HydrophobicContact CD1-CG2 4.1Å; V114-V123 HydrophobicContact CG1-CB 4.17Å; V114-V123 HydrophobicContact CG1-CG1 4.31Å; V123-I126 HydrophobicContact CG1-CG1 4.13Å; V123-T231 HydrophobicContact CG2-CG2 3.89Å; V123-L233 HydrophobicContact CG1-CB 3.8Å |
| 124 | T | 88 | Confident | 81.9 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -29.8 | -179.7 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | K122 M191 I224 L226 T231 | K122-T124 PolarHBondContact O-N 3.09Å; T124-M191 PolarHBondContact O-N 3.3Å; T124-I224 HydrophobicContact CG2-CD1 4.26Å; T124-I224 HydrophobicContact CG2-CG2 4.27Å; T124-I224 WeakPolarHBondContact OG1-CD1 3.41Å; T124-L226 HydrophobicContact CG2-CD1 4.02Å; T124-T231 PolarHBondContact N-O 3.21Å |
| 125 | L | 95.3 | Very high | 80.4 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.5 | -178.5 | 178.1 | 62 | 0 | 0 | 0 | 110.4 | V127 M191 Y216 M217 E220 V232 L233 | L125-V127 HydrophobicContact CD2-CG2 4.08Å; L125-V127 HydrophobicContact CG-CG2 4.03Å; L125-M191 CarbonylContact C-O 3.5Å; L125-M191 WeakPolarHBondContact CA-O 3.29Å; L125-M191 HydrophobicContact CD1-CB 3.95Å; L125-Y216 HydrophobicContact CD1-CE1 4.25Å; L125-M217 HydrophobicContact CD2-CG 4.03Å; L125-E220 HydrophobicContact CD2-CB 4.43Å; L125-V232 HydrophobicContact CB-CG1 4.22Å; L125-V232 HydrophobicContact CB-CG2 4.38Å; L125-V232 HydrophobicContact CD2-CG1 4.03Å; L125-V232 HydrophobicContact CD2-CG2 4.39Å; L125-V232 HydrophobicContact CG-CG1 4.06Å; L125-L233 PolarHBondContact O-N 3.02Å |
| 126 | I | 97.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.9 | 167.3 | -64.4 | 171.1 | 0 | 0 | 0 | 107.9 | F110 W111 V114 V123 V190 M191 H192 Y193 L233 | F110-I126 HydrophobicContact CE1-CD1 4.14Å; F110-I126 HydrophobicContact CZ-CD1 4.18Å; F110-I126 HydrophobicContact CZ-CG2 4.5Å; W111-I126 HydrophobicContact CH2-CD1 4.28Å; W111-I126 HydrophobicContact CZ3-CD1 4.47Å; V114-I126 HydrophobicContact CG2-CD1 4.17Å; V123-I126 HydrophobicContact CG1-CG1 4.13Å; I126-V190 HydrophobicContact CD1-CG1 3.63Å; I126-V190 HydrophobicContact CG1-CG1 3.8Å; I126-M191 PolarHBondContact N-O 3.21Å; I126-H192 WeakPolarHBondContact O-CA 3.45Å; I126-Y193 PolarHBondContact O-N 3.1Å; I126-L233 CarbonylContact C-O 3.59Å; I126-L233 WeakPolarHBondContact CA-O 3.44Å; I126-L233 HydrophobicContact CG1-CB 4.3Å; I126-L233 HydrophobicContact CG1-CD2 4.42Å; I126-L233 HydrophobicContact CG2-CD2 4.01Å |
| 127 | V | 97.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.2 | 170.5 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | L125 L129 L213 M217 V232 L233 I234 H235 L246 | L125-V127 HydrophobicContact CD2-CG2 4.08Å; L125-V127 HydrophobicContact CG-CG2 4.03Å; V127-L129 HydrophobicContact CG1-CD2 3.89Å; V127-L129 HydrophobicContact CG1-CG 4.27Å; V127-L213 HydrophobicContact CG1-CD1 3.91Å; V127-L213 HydrophobicContact CG1-CD2 4.04Å; V127-L213 HydrophobicContact CG2-CD1 4.49Å; V127-M217 HydrophobicContact CG2-CE 4.47Å; V127-M217 HydrophobicContact CG2-CG 4.17Å; V127-M217 HydrophobicContact CG2-SD 4.05Å; V127-V232 HydrophobicContact CG2-CG1 4Å; V127-L233 PolarHBondContact N-O 3.1Å; V127-I234 HydrophobicContact CB-CG1 4.15Å; V127-I234 HydrophobicContact CB-CG2 4.34Å; V127-I234 HydrophobicContact CG2-CG1 4.45Å; V127-I234 WeakPolarHBondContact O-CA 3.26Å; V127-H235 PolarHBondContact O-N 3.36Å; V127-L246 HydrophobicContact CG1-CD2 3.85Å |
| 128 | C | 96.8 | Very high | 79 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.8 | 178.7 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | F132 Y193 L194 Y195 H235 | C128-F132 WeakPolarHBondContact SG-CE2 3.41Å; C128-Y193 PolarHBondContact N-O 3.28Å; C128-L194 HydrophobicContact CB-CD1 3.93Å; C128-Y195 PolarHBondContact O-N 3.49Å; C128-H235 WeakPolarHBondContact CB-NE2 3.37Å; C128-H235 PolarHBondContact SG-CE1 2.88Å; C128-H235 PolarHBondContact SG-NE2 2.92Å |
| 129 | L | 95.2 | Very high | 80.1 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -108.5 | 12.9 | 176.5 | -52 | 177 | 0 | 0 | 0 | 111.8 | V127 Y195 L213 I234 H235 C236 R242 L246 | V127-L129 HydrophobicContact CG1-CD2 3.89Å; V127-L129 HydrophobicContact CG1-CG 4.27Å; L129-Y195 HydrophobicContact CD2-CD1 4.36Å; L129-Y195 HydrophobicContact CD2-CG 4.1Å; L129-L213 HydrophobicContact CD2-CD2 3.88Å; L129-I234 HydrophobicContact CD1-CG2 3.97Å; L129-I234 HydrophobicContact CG-CG2 4.41Å; L129-H235 WeakPolarHBondContact CB-O 3.33Å; L129-H235 PolarHBondContact N-O 2.99Å; L129-C236 HydrophobicContact CB-CB 3.92Å; L129-R242 HydrophobicContact CB-CB 4.14Å; L129-R242 HydrophobicContact CD1-CB 3.9Å; L129-R242 WeakPolarHBondContact O-CD 3.38Å; L129-R242 PolarHBondContact O-NH1 3Å; L129-L246 HydrophobicContact CD1-CB 4.17Å; L129-L246 HydrophobicContact CD1-CD2 4Å; L129-L246 HydrophobicContact CD2-CD2 4.37Å | ||
| 130 | S | 87 | Confident | 81.4 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | trans | -92.6 | 147.2 | -179.1 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | F132 H235 C236 T237 | S130-F132 WeakPolarHBondContact O-CE2 3.31Å; S130-H235 PolarHBondContact OG-ND1 2.83Å; S130-H235 VanDerWaalsContact OG-ND1 3.16Å; S130-C236 WeakPolarHBondContact OG-CA 3.4Å; S130-C236 PolarHBondContact OG-O 3.42Å; S130-T237 PolarHBondContact OG-N 2.79Å | ||
| 131 | K | 77.9 | Confident | 83 | Confident | 36 Ų | 36 | 49 Ų | 49 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | trans | -83.7 | 141.1 | 168 | -68.6 | -175.1 | 173.3 | -167.5 | 0 | 109.7 | E134 I139 W198 E200 | K131-E134 IonicContact NZ-OE1 2.73Å; K131-E134 PolarHBondContact NZ-OE1 3.11Å; K131-I139 HydrophobicContact CB-CD1 3.84Å; K131-I139 HydrophobicContact CD-CD1 4.5Å; K131-W198 VanDerWaalsContact CE-O 3.32Å; K131-W198 WeakPolarHBondContact CE-O 3.13Å; K131-E200 VanDerWaalsContact NZ-CA 3.28Å | ||
| 132 | F | 78.6 | Confident | 84.3 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -110.3 | -20.4 | 169.6 | -63.2 | -89.2 | 0 | 0 | 0 | 112.4 | C128 S130 K138 I139 G140 F141 E142 Y143 W144 L194 | C128-F132 WeakPolarHBondContact SG-CE2 3.41Å; S130-F132 WeakPolarHBondContact O-CE2 3.31Å; F132-K138 CarbonylContact O-C 3.57Å; F132-K138 VanDerWaalsContact O-CA 3.24Å; F132-K138 WeakPolarHBondContact O-CA 3.05Å; F132-I139 PolarHBondContact O-N 2.99Å; F132-G140 PolarHBondContact O-N 3.32Å; F132-F141 WeakPolarHBondContact CE1-O 3.42Å; F132-E142 HydrophobicContact CD1-CG 4.39Å; F132-Y143 HydrophobicContact CE1-CD1 4.49Å; F132-Y143 HydrophobicContact CE1-CE1 4.4Å; F132-Y143 HydrophobicContact CZ-CE1 4.06Å; F132-W144 HydrophobicContact CD1-CH2 4.39Å; F132-W144 HydrophobicContact CD1-CZ3 4.35Å; F132-W144 AromaticContact CD2-CH2 3.83Å; F132-W144 HydrophobicContact CD2-CH2 3.83Å; F132-W144 HydrophobicContact CD2-CZ3 4.44Å; F132-W144 HydrophobicContact CE1-CH2 4.06Å; F132-W144 AromaticContact CE1-CZ3 3.71Å; F132-W144 HydrophobicContact CE1-CZ3 3.71Å; F132-W144 AromaticContact CE2-CH2 3.44Å; F132-W144 HydrophobicContact CE2-CH2 3.44Å; F132-W144 VanDerWaalsContact CE2-CH2 3.44Å; F132-W144 AromaticContact CE2-CZ3 3.82Å; F132-W144 HydrophobicContact CE2-CZ3 3.82Å; F132-W144 HydrophobicContact CG-CH2 4.3Å; F132-W144 AromaticContact CZ-CH2 3.57Å; F132-W144 HydrophobicContact CZ-CH2 3.57Å; F132-W144 AromaticContact CZ-CZ3 3.4Å; F132-W144 HydrophobicContact CZ-CZ3 3.4Å; F132-W144 VanDerWaalsContact CZ-CZ3 3.4Å; F132-L194 HydrophobicContact CD2-CD1 4.25Å; F132-L194 HydrophobicContact CE2-CD1 3.99Å |
| 133 | V | 75 | Confident | 84.9 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.7 | 178.3 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | R137 | V133-R137 CarbonylContact C-O 3.6Å; V133-R137 VanDerWaalsContact CA-O 3.24Å; V133-R137 WeakPolarHBondContact CA-O 3.33Å |
| 134 | E | 67.6 | Low | 85.1 | Confident | 78 Ų | 78 | 45.5 Ų | 45.5 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 126.6 | 175 | -176.3 | 158.6 | -122.4 | 0 | 0 | 109 | K131 G136 R137 I139 | K131-E134 IonicContact NZ-OE1 2.73Å; K131-E134 PolarHBondContact NZ-OE1 3.11Å; E134-G136 PolarHBondContact O-N 3.26Å; E134-G136 VanDerWaalsContact O-N 3.16Å; E134-R137 PolarHBondContact N-O 3.22Å; E134-R137 WeakPolarHBondContact O-CB 3.46Å; E134-R137 PolarHBondContact O-N 2.67Å; E134-I139 HydrophobicContact CB-CD1 3.65Å; E134-I139 HydrophobicContact CB-CG1 4.1Å; E134-I139 HydrophobicContact CB-CG2 4.08Å; E134-I139 WeakPolarHBondContact OE2-CD1 3.34Å |
| 135 | G | 65.4 | Low | 85.4 | Confident | 76 Ų | 76 | 44.2 Ų | 44.2 | 78% | 0.784 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 32.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R137 | G135-R137 PolarHBondContact O-N 3.17Š|
| 136 | G | 71.1 | Confident | 85.3 | Confident | 73 Ų | 73 | 46.7 Ų | 46.7 | 75% | 0.753 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E134 | E134-G136 PolarHBondContact O-N 3.26Å; E134-G136 VanDerWaalsContact O-N 3.16Å |
| 137 | R | 68.9 | Low | 85 | Confident | 197 Ų | 197 | 49 Ų | 49 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.6 | 177.6 | -62.2 | -178.6 | -179.9 | -178.1 | 0.3 | 110.7 | V133 E134 G135 I139 | V133-R137 CarbonylContact C-O 3.6Å; V133-R137 VanDerWaalsContact CA-O 3.24Å; V133-R137 WeakPolarHBondContact CA-O 3.33Å; E134-R137 PolarHBondContact N-O 3.22Å; E134-R137 WeakPolarHBondContact O-CB 3.46Å; E134-R137 PolarHBondContact O-N 2.67Å; G135-R137 PolarHBondContact O-N 3.17Å; R137-I139 PolarHBondContact O-N 3.3Å |
| 138 | K | 78.5 | Confident | 84.7 | Confident | 129 Ų | 129 | 52.2 Ų | 52.2 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 106.3 | 174.8 | -154 | 173.9 | -172.6 | 168.3 | 0 | 109.1 | F132 E142 | F132-K138 CarbonylContact O-C 3.57Å; F132-K138 VanDerWaalsContact O-CA 3.24Å; F132-K138 WeakPolarHBondContact O-CA 3.05Å; K138-E142 WeakPolarHBondContact CE-OE1 3.4Å; K138-E142 WeakPolarHBondContact CE-OE2 3.44Å; K138-E142 IonicContact NZ-OE1 3.37Å; K138-E142 PolarHBondContact NZ-OE1 3.07Å; K138-E142 VanDerWaalsContact NZ-OE1 3.16Å; K138-E142 IonicContact NZ-OE2 3.72Å; K138-E142 PolarHBondContact NZ-OE2 3.07Å |
| 139 | I | 82.9 | Confident | 84.3 | Confident | 91 Ų | 91 | 53.6 Ų | 53.6 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | trans | -100.9 | -18.9 | -178.2 | 58.3 | 160.6 | 0 | 0 | 0 | 113 | K131 F132 E134 R137 | K131-I139 HydrophobicContact CB-CD1 3.84Å; K131-I139 HydrophobicContact CD-CD1 4.5Å; F132-I139 PolarHBondContact O-N 2.99Å; E134-I139 HydrophobicContact CB-CD1 3.65Å; E134-I139 HydrophobicContact CB-CG1 4.1Å; E134-I139 HydrophobicContact CB-CG2 4.08Å; E134-I139 WeakPolarHBondContact OE2-CD1 3.34Å; R137-I139 PolarHBondContact O-N 3.3Å | ||
| 140 | G | 85 | Confident | 83.7 | Confident | 23 Ų | 23 | 59 Ų | 59 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -109.8 | 165.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F132 | F132-G140 PolarHBondContact O-N 3.32Š|
| 141 | F | 93.1 | Very high | 83.8 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 28% | 0.276 | 37% | 0.373 | S | S | . | . | trans | -97.3 | 116.5 | 173.8 | 179.6 | -96.6 | 0 | 0 | 0 | 110.6 | K104 S107 F132 Y143 H156 | K104-F141 HydrophobicContact CB-CD2 3.7Å; K104-F141 HydrophobicContact CB-CE2 3.74Å; K104-F141 HydrophobicContact CB-CG 4.29Å; K104-F141 HydrophobicContact CB-CZ 4.38Å; K104-F141 HydrophobicContact CG-CD2 4.32Å; K104-F141 HydrophobicContact CG-CE2 3.87Å; K104-F141 HydrophobicContact CG-CZ 4.43Å; S107-F141 VanDerWaalsContact CB-CE1 3.41Å; F132-F141 WeakPolarHBondContact CE1-O 3.42Å; F141-Y143 PolarHBondContact O-N 2.92Å; F141-H156 AromaticContact CE1-CE1 3.74Å; F141-H156 AromaticContact CZ-CE1 3.91Å | ||
| 142 | E | 93.9 | Very high | 84.4 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | trans | -71.5 | 92.2 | 174.7 | -72.6 | 172.6 | -174.8 | 0 | 0 | 109.8 | F132 K138 W144 T146 Q154 | F132-E142 HydrophobicContact CD1-CG 4.39Å; K138-E142 WeakPolarHBondContact CE-OE1 3.4Å; K138-E142 WeakPolarHBondContact CE-OE2 3.44Å; K138-E142 IonicContact NZ-OE1 3.37Å; K138-E142 PolarHBondContact NZ-OE1 3.07Å; K138-E142 VanDerWaalsContact NZ-OE1 3.16Å; K138-E142 IonicContact NZ-OE2 3.72Å; K138-E142 PolarHBondContact NZ-OE2 3.07Å; E142-W144 PolarHBondContact O-N 3.47Å; E142-T146 HydrophobicContact CB-CG2 4.37Å; E142-T146 HydrophobicContact CG-CG2 3.87Å; E142-Q154 PolarHBondContact O-OE1 2.8Å | ||
| 143 | Y | 95.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | trans | -79.2 | 5.8 | 177 | 64.3 | -91.6 | 0 | 0 | 0 | 113.1 | P102 F110 W111 F132 F141 H156 H192 H235 | P102-Y143 HydrophobicContact CB-CD1 3.72Å; P102-Y143 HydrophobicContact CB-CE1 4.47Å; P102-Y143 HydrophobicContact CB-CG 3.93Å; P102-Y143 HydrophobicContact CG-CD1 3.51Å; P102-Y143 HydrophobicContact CG-CD2 4.39Å; P102-Y143 HydrophobicContact CG-CE1 3.8Å; P102-Y143 HydrophobicContact CG-CG 3.84Å; F110-Y143 AromaticContact CD1-CD2 3.86Å; F110-Y143 HydrophobicContact CD1-CD2 3.86Å; F110-Y143 HydrophobicContact CD1-CE2 4.15Å; F110-Y143 HydrophobicContact CD1-CG 4.49Å; F110-Y143 AromaticContact CE1-CD2 3.53Å; F110-Y143 HydrophobicContact CE1-CD2 3.53Å; F110-Y143 AromaticContact CE1-CE2 3.35Å; F110-Y143 HydrophobicContact CE1-CE2 3.35Å; F110-Y143 HydrophobicContact CE1-CG 4.44Å; F110-Y143 HydrophobicContact CZ-CD2 4.25Å; F110-Y143 AromaticContact CZ-CE2 3.72Å; F110-Y143 HydrophobicContact CZ-CE2 3.72Å; W111-Y143 HydrophobicContact CZ2-CD2 4.04Å; W111-Y143 HydrophobicContact CZ2-CE2 4.36Å; W111-Y143 AromaticContact NE1-CD2 3.81Å; W111-Y143 PolarHBondContact NE1-O 3.27Å; F132-Y143 HydrophobicContact CE1-CD1 4.49Å; F132-Y143 HydrophobicContact CE1-CE1 4.4Å; F132-Y143 HydrophobicContact CZ-CE1 4.06Å; F141-Y143 PolarHBondContact O-N 2.92Å; Y143-H156 PolarHBondContact O-NE2 2.82Å; Y143-H192 AromaticContact CZ-NE2 3.59Å; Y143-H192 PolarHBondContact OH-CD2 2.83Å; Y143-H192 PolarHBondContact OH-NE2 3.39Å; Y143-H235 AromaticContact CE1-CE1 3.73Å; Y143-H235 AromaticContact CE1-NE2 3.46Å; Y143-H235 WeakPolarHBondContact CE1-NE2 3.2Å; Y143-H235 AromaticContact CZ-NE2 3.43Å; Y143-H235 PolarHBondContact OH-NE2 2.75Å | ||
| 144 | W | 96.2 | Very high | 86.1 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -141.9 | 157.1 | 177.6 | 78.3 | 98.5 | 0 | 0 | 0 | 109.8 | W111 F132 E142 T146 Q154 H192 L194 | W111-W144 HydrophobicContact CZ2-CB 4.16Å; F132-W144 HydrophobicContact CD1-CH2 4.39Å; F132-W144 HydrophobicContact CD1-CZ3 4.35Å; F132-W144 AromaticContact CD2-CH2 3.83Å; F132-W144 HydrophobicContact CD2-CH2 3.83Å; F132-W144 HydrophobicContact CD2-CZ3 4.44Å; F132-W144 HydrophobicContact CE1-CH2 4.06Å; F132-W144 AromaticContact CE1-CZ3 3.71Å; F132-W144 HydrophobicContact CE1-CZ3 3.71Å; F132-W144 AromaticContact CE2-CH2 3.44Å; F132-W144 HydrophobicContact CE2-CH2 3.44Å; F132-W144 VanDerWaalsContact CE2-CH2 3.44Å; F132-W144 AromaticContact CE2-CZ3 3.82Å; F132-W144 HydrophobicContact CE2-CZ3 3.82Å; F132-W144 HydrophobicContact CG-CH2 4.3Å; F132-W144 AromaticContact CZ-CH2 3.57Å; F132-W144 HydrophobicContact CZ-CH2 3.57Å; F132-W144 AromaticContact CZ-CZ3 3.4Å; F132-W144 HydrophobicContact CZ-CZ3 3.4Å; F132-W144 VanDerWaalsContact CZ-CZ3 3.4Å; E142-W144 PolarHBondContact O-N 3.47Å; W144-T146 HydrophobicContact CZ2-CG2 3.96Å; W144-T146 PolarHBondContact O-N 3.35Å; W144-Q154 VanDerWaalsContact C-CD 3.42Å; W144-Q154 VanDerWaalsContact C-NE2 3.3Å; W144-Q154 VanDerWaalsContact CA-OE1 3.29Å; W144-Q154 PolarHBondContact O-NE2 3.32Å; W144-Q154 PolarHBondContact O-OE1 3.18Å; W144-H192 AromaticContact CD2-CE1 3.91Å; W144-H192 AromaticContact CD2-NE2 3.53Å; W144-H192 AromaticContact CE2-CE1 3.49Å; W144-H192 VanDerWaalsContact CE2-CE1 3.49Å; W144-H192 AromaticContact CE2-NE2 3.63Å; W144-H192 AromaticContact CE3-NE2 3.61Å; W144-H192 AromaticContact CH2-CE1 3.77Å; W144-H192 AromaticContact CH2-NE2 3.92Å; W144-H192 AromaticContact CZ2-CE1 3.42Å; W144-H192 VanDerWaalsContact CZ2-CE1 3.42Å; W144-H192 WeakPolarHBondContact CZ2-CE1 3.38Å; W144-H192 AromaticContact CZ2-NE2 3.84Å; W144-H192 AromaticContact CZ3-NE2 3.81Å; W144-H192 AromaticContact NE1-CE1 4Å; W144-L194 HydrophobicContact CZ2-CD2 4.4Å |
| 145 | P | 94.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.013 | 40% | 0.4 | C | S | . | . | trans | -68.5 | 114.7 | 173.7 | 25.3 | -31.7 | 0 | 0 | 0 | 110.2 | S147 Y152 Q154 M161 N163 | P145-S147 VanDerWaalsContact C-N 3.34Å; P145-Y152 VanDerWaalsContact CB-O 3.26Å; P145-Y152 WeakPolarHBondContact CB-O 3.37Å; P145-Q154 HydrophobicContact CB-CG 4.46Å; P145-M161 HydrophobicContact CG-CG 4.22Å; P145-N163 HydrophobicContact CB-CB 4.23Å; P145-N163 HydrophobicContact CG-CB 4.09Å; P145-N163 WeakPolarHBondContact O-CB 3.46Å; P145-N163 PolarHBondContact O-ND2 3.36Å | ||
| 146 | T | 92.1 | Very high | 89 | Confident | 54 Ų | 54 | 71.4 Ų | 71.4 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -78.6 | -17.4 | -177.2 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | E142 W144 | E142-T146 HydrophobicContact CB-CG2 4.37Å; E142-T146 HydrophobicContact CG-CG2 3.87Å; W144-T146 HydrophobicContact CZ2-CG2 3.96Å; W144-T146 PolarHBondContact O-N 3.35Å |
| 147 | S | 92.6 | Very high | 90.1 | Very high | 49 Ų | 49 | 69.5 Ų | 69.5 | 34% | 0.343 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -120.5 | 151 | 177.2 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | P145 Y152 N163 | P145-S147 VanDerWaalsContact C-N 3.34Å; S147-Y152 WeakPolarHBondContact O-CB 3.44Å; S147-N163 WeakPolarHBondContact O-CB 3.28Å |
| 148 | C | 90.9 | Very high | 91.3 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 46% | 0.459 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -85.5 | 152.5 | 170.1 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | Y152 N163 | C148-Y152 WeakPolarHBondContact O-CD2 3.41Å; C148-N163 WeakPolarHBondContact CA-O 3.32Å; C148-N163 WeakPolarHBondContact CB-O 3.33Å |
| 149 | G | 87.5 | Confident | 92.2 | Very high | 29 Ų | 29 | 60.8 Ų | 60.8 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 137.1 | 161.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E151 Y152 | G149-E151 VanDerWaalsContact C-N 3.3Å; G149-E151 WeakPolarHBondContact CA-OE2 3.4Å; G149-Y152 PolarHBondContact O-N 3.23Å |
| 150 | N | 83 | Confident | 92.9 | Very high | 114 Ų | 114 | 59.8 Ų | 59.8 | 61% | 0.61 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -74.8 | -24.8 | -179 | -82.5 | -41.6 | 0 | 0 | 0 | 112.6 | R153 | N150-R153 WeakPolarHBondContact O-CG 3.19Å; N150-R153 PolarHBondContact O-NE 2.83Å; N150-R153 PolarHBondContact OD1-NH2 2.83Å |
| 151 | E | 89.4 | Confident | 93.5 | Very high | 135 Ų | 135 | 59 Ų | 59 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -75 | -24.3 | 175.8 | 68.8 | -82.9 | -153.2 | 0 | 0 | 112.7 | G149 R153 | G149-E151 VanDerWaalsContact C-N 3.3Å; G149-E151 WeakPolarHBondContact CA-OE2 3.4Å; E151-R153 PolarHBondContact O-N 3.41Å |
| 152 | Y | 89.8 | Confident | 93.7 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | trans | -95.5 | 64.9 | -179.1 | -56.7 | -72.8 | 0 | 0 | 0 | 111.5 | P145 S147 C148 G149 | P145-Y152 VanDerWaalsContact CB-O 3.26Å; P145-Y152 WeakPolarHBondContact CB-O 3.37Å; S147-Y152 WeakPolarHBondContact O-CB 3.44Å; C148-Y152 WeakPolarHBondContact O-CD2 3.41Å; G149-Y152 PolarHBondContact O-N 3.23Å | ||
| 153 | R | 93.8 | Very high | 93.8 | Very high | 148 Ų | 148 | 57.5 Ų | 57.5 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.2 | 174 | -65.7 | -178.8 | -176.6 | -159.4 | 1.9 | 110.7 | N150 E151 M161 R162 | N150-R153 WeakPolarHBondContact O-CG 3.19Å; N150-R153 PolarHBondContact O-NE 2.83Å; N150-R153 PolarHBondContact OD1-NH2 2.83Å; E151-R153 PolarHBondContact O-N 3.41Å; R153-M161 WeakPolarHBondContact CA-O 3.5Å; R153-R162 HydrophobicContact CG-CB 4.25Å |
| 154 | Q | 96.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 23% | 0.234 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 158.5 | 173.5 | -66.1 | -177.5 | 7.2 | 0 | 0 | 110.5 | E142 W144 P145 H156 M161 | E142-Q154 PolarHBondContact O-OE1 2.8Å; W144-Q154 VanDerWaalsContact C-CD 3.42Å; W144-Q154 VanDerWaalsContact C-NE2 3.3Å; W144-Q154 VanDerWaalsContact CA-OE1 3.29Å; W144-Q154 PolarHBondContact O-NE2 3.32Å; W144-Q154 PolarHBondContact O-OE1 3.18Å; P145-Q154 HydrophobicContact CB-CG 4.46Å; Q154-H156 PolarHBondContact OE1-NE2 3.48Å; Q154-M161 HydrophobicContact CB-CG 3.85Å; Q154-M161 HydrophobicContact CB-SD 4.26Å; Q154-M161 PolarHBondContact N-O 3.2Å; Q154-M161 WeakPolarHBondContact O-CG 3.47Å; Q154-M161 PolarHBondContact O-N 3.42Å |
| 155 | K | 96.6 | Very high | 93.7 | Very high | 100 Ų | 100 | 62.1 Ų | 62.1 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 126.3 | 173.6 | -175.9 | -177.5 | -178.3 | 169.1 | 0 | 108.8 | G157 I159 E182 | K155-G157 WeakPolarHBondContact CE-O 3.15Å; K155-I159 WeakPolarHBondContact CA-O 3.19Å; K155-E182 VanDerWaalsContact CE-OE2 3.24Å; K155-E182 WeakPolarHBondContact CE-OE2 3.47Å; K155-E182 IonicContact NZ-OE1 2.77Å; K155-E182 PolarHBondContact NZ-OE1 2.92Å; K155-E182 IonicContact NZ-OE2 3.31Å; K155-E182 PolarHBondContact NZ-OE2 2.81Å |
| 156 | H | 96.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 7% | 0.069 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 108.1 | 173.3 | -67.3 | -78.8 | 0 | 0 | 0 | 108.5 | S107 W111 F141 Y143 Q154 R158 I159 M161 | S107-H156 VanDerWaalsContact CB-ND1 3.27Å; S107-H156 WeakPolarHBondContact CB-ND1 3.35Å; S107-H156 PolarHBondContact OG-ND1 3.43Å; W111-H156 HydrophobicContact CB-CB 4.08Å; W111-H156 VanDerWaalsContact CD1-CB 3.43Å; W111-H156 AromaticContact CD1-CD2 3.53Å; W111-H156 AromaticContact CD1-CG 3.49Å; W111-H156 VanDerWaalsContact CD1-CG 3.49Å; W111-H156 HydrophobicContact CG-CB 3.99Å; W111-H156 AromaticContact NE1-CD2 3.53Å; W111-H156 AromaticContact NE1-CG 3.98Å; F141-H156 AromaticContact CE1-CE1 3.74Å; F141-H156 AromaticContact CZ-CE1 3.91Å; Y143-H156 PolarHBondContact O-NE2 2.82Å; Q154-H156 PolarHBondContact OE1-NE2 3.48Å; H156-R158 PolarHBondContact O-N 3.13Å; H156-I159 PolarHBondContact N-O 2.81Å; H156-I159 PolarHBondContact O-N 3.28Å; H156-M161 HydrophobicContact CB-CE 4.26Å |
| 157 | G | 95.2 | Very high | 93.7 | Very high | 33 Ų | 33 | 69.1 Ų | 69.1 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -123.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K155 I159 | K155-G157 WeakPolarHBondContact CE-O 3.15Å; G157-I159 VanDerWaalsContact C-N 3.32Å |
| 158 | R | 94.7 | Very high | 93.6 | Very high | 140 Ų | 140 | 72 Ų | 72 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.7 | 179.2 | -63 | 179.6 | -178.5 | 179.2 | 0.7 | 113.5 | H156 E182 | H156-R158 PolarHBondContact O-N 3.13Å; R158-E182 HydrophobicContact CB-CB 4.22Å; R158-E182 VanDerWaalsContact O-CB 3.26Å; R158-E182 WeakPolarHBondContact O-CB 3.45Å; R158-E182 PolarHBondContact O-N 3.06Å |
| 159 | I | 96.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.8 | -175.8 | -50.7 | -53.6 | 0 | 0 | 0 | 109.6 | W111 W115 K155 H156 G157 M161 T179 H181 | W111-I159 HydrophobicContact CB-CB 4.38Å; W111-I159 HydrophobicContact CB-CG1 4.19Å; W111-I159 HydrophobicContact CE3-CG2 4.48Å; W115-I159 HydrophobicContact CB-CD1 3.84Å; W115-I159 HydrophobicContact CB-CG1 4.35Å; W115-I159 HydrophobicContact CD2-CD1 3.57Å; W115-I159 HydrophobicContact CE3-CD1 4.21Å; W115-I159 HydrophobicContact CG-CD1 3.37Å; W115-I159 HydrophobicContact CG-CG1 3.95Å; K155-I159 WeakPolarHBondContact CA-O 3.19Å; H156-I159 PolarHBondContact N-O 2.81Å; H156-I159 PolarHBondContact O-N 3.28Å; G157-I159 VanDerWaalsContact C-N 3.32Å; I159-M161 HydrophobicContact CB-CE 4.26Å; I159-M161 HydrophobicContact CG2-CE 3.8Å; I159-T179 HydrophobicContact CG2-CG2 4.2Å; I159-H181 HydrophobicContact CD1-CB 4.13Å |
| 160 | H | 97.2 | Very high | 93.3 | Very high | 69 Ų | 69 | 81.1 Ų | 81.1 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 141.8 | 167.2 | -65 | -93.4 | 0 | 0 | 0 | 109.3 | T179 V180 E182 | H160-T179 CarbonylContact O-C 3.56Å; H160-T179 VanDerWaalsContact O-CA 3.28Å; H160-T179 WeakPolarHBondContact O-CA 3.49Å; H160-V180 HydrophobicContact CB-CB 4.44Å; H160-V180 PolarHBondContact N-O 3.25Å; H160-V180 PolarHBondContact O-N 3.34Å; H160-E182 IonicContact NE2-OE1 3.47Å |
| 161 | M | 97.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 76.3 Ų | 76.3 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149.6 | -179.1 | 63.7 | -165.6 | 66.6 | 0 | 0 | 113.7 | W111 P145 R153 Q154 H156 I159 I177 E178 T179 | W111-M161 HydrophobicContact CD2-CE 3.49Å; W111-M161 VanDerWaalsContact CD2-CE 3.49Å; W111-M161 HydrophobicContact CD2-SD 4.32Å; W111-M161 VanDerWaalsContact CE2-SD 3.53Å; W111-M161 HydrophobicContact CE3-CE 4.13Å; W111-M161 HydrophobicContact CG-CE 3.72Å; W111-M161 HydrophobicContact CH2-CE 4.39Å; W111-M161 HydrophobicContact CH2-SD 4.26Å; W111-M161 HydrophobicContact CZ2-CE 3.8Å; W111-M161 HydrophobicContact CZ2-SD 3.48Å; W111-M161 WeakPolarHBondContact CZ2-SD 3.24Å; P145-M161 HydrophobicContact CG-CG 4.22Å; R153-M161 WeakPolarHBondContact CA-O 3.5Å; Q154-M161 HydrophobicContact CB-CG 3.85Å; Q154-M161 HydrophobicContact CB-SD 4.26Å; Q154-M161 PolarHBondContact N-O 3.2Å; Q154-M161 WeakPolarHBondContact O-CG 3.47Å; Q154-M161 PolarHBondContact O-N 3.42Å; H156-M161 HydrophobicContact CB-CE 4.26Å; I159-M161 HydrophobicContact CB-CE 4.26Å; I159-M161 HydrophobicContact CG2-CE 3.8Å; M161-I177 HydrophobicContact CB-CG2 3.95Å; M161-E178 CarbonylContact C-O 3.48Å; M161-E178 WeakPolarHBondContact CA-O 3.14Å; M161-T179 HydrophobicContact CB-CG2 3.96Å |
| 162 | R | 97.2 | Very high | 93.6 | Very high | 73 Ų | 73 | 70.6 Ų | 70.6 | 28% | 0.275 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.9 | 172.7 | 63.7 | 178 | 177.4 | 153 | 7.1 | 110.2 | R153 L164 E178 | R153-R162 HydrophobicContact CG-CB 4.25Å; R162-L164 HydrophobicContact CG-CD2 4.29Å; R162-E178 HydrophobicContact CG-CB 4.02Å; R162-E178 IonicContact CZ-OE1 3.61Å; R162-E178 IonicContact CZ-OE2 3.82Å; R162-E178 VanDerWaalsContact CZ-OE2 3.27Å; R162-E178 PolarHBondContact N-O 3.38Å; R162-E178 IonicContact NE-OE1 3.05Å; R162-E178 IonicContact NE-OE2 3.96Å; R162-E178 PolarHBondContact NE-OE2 2.94Å; R162-E178 VanDerWaalsContact NH2-CD 3.29Å; R162-E178 IonicContact NH2-OE1 3.91Å; R162-E178 PolarHBondContact NH2-OE1 2.86Å; R162-E178 IonicContact NH2-OE2 3.33Å; R162-E178 PolarHBondContact NH2-OE2 3.01Å; R162-E178 PolarHBondContact O-N 3.48Å |
| 163 | N | 96.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.3 | 173.8 | -161.5 | -34.4 | 0 | 0 | 0 | 109.5 | P145 S147 C148 G165 V166 S175 I177 | P145-N163 HydrophobicContact CB-CB 4.23Å; P145-N163 HydrophobicContact CG-CB 4.09Å; P145-N163 WeakPolarHBondContact O-CB 3.46Å; P145-N163 PolarHBondContact O-ND2 3.36Å; S147-N163 WeakPolarHBondContact O-CB 3.28Å; C148-N163 WeakPolarHBondContact CA-O 3.32Å; C148-N163 WeakPolarHBondContact CB-O 3.33Å; N163-G165 VanDerWaalsContact OD1-C 3.31Å; N163-G165 PolarHBondContact OD1-N 3.16Å; N163-G165 PolarHBondContact OD1-O 3.21Å; N163-V166 WeakPolarHBondContact ND2-CG2 3.43Å; N163-S175 WeakPolarHBondContact ND2-CB 3.44Å; N163-S175 PolarHBondContact ND2-OG 2.84Å; N163-S175 VanDerWaalsContact ND2-OG 3.09Å; N163-I177 HydrophobicContact CB-CD1 4.06Å |
| 164 | L | 96.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 60 Ų | 60 | 40% | 0.403 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -17.7 | 178.5 | -61.6 | -175.1 | 0 | 0 | 0 | 112.7 | R162 I176 E178 | R162-L164 HydrophobicContact CG-CD2 4.29Å; L164-I176 HydrophobicContact CB-CB 4.36Å; L164-I176 WeakPolarHBondContact CB-O 3.49Å; L164-I176 HydrophobicContact CD1-CG2 4.03Å; L164-I176 PolarHBondContact N-O 2.95Å; L164-E178 HydrophobicContact CD1-CB 3.96Å; L164-E178 HydrophobicContact CD2-CB 3.85Å; L164-E178 HydrophobicContact CG-CB 3.83Å |
| 165 | G | 94.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | 150.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | N163 S175 I176 | N163-G165 VanDerWaalsContact OD1-C 3.31Å; N163-G165 PolarHBondContact OD1-N 3.16Å; N163-G165 PolarHBondContact OD1-O 3.21Å; G165-S175 WeakPolarHBondContact O-CA 3.48Å; G165-I176 PolarHBondContact O-N 3.33Å |
| 166 | V | 92.7 | Very high | 93.8 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.3 | -179.9 | -172 | 0 | 0 | 0 | 0 | 109.7 | N163 N168 A173 L174 | N163-V166 WeakPolarHBondContact ND2-CG2 3.43Å; V166-N168 VanDerWaalsContact CG1-OD1 3.32Å; V166-N168 WeakPolarHBondContact CG1-OD1 3.49Å; V166-A173 HydrophobicContact CG1-CB 4.37Å; V166-L174 CarbonylContact C-O 3.42Å; V166-L174 WeakPolarHBondContact CA-O 3.49Å |
| 167 | R | 93.8 | Very high | 93.9 | Very high | 153 Ų | 153 | 55.7 Ų | 55.7 | 58% | 0.577 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116.9 | 168.8 | -174.1 | -179.6 | 73.2 | -179.2 | 1.4 | 109.4 | M172 L174 | R167-M172 WeakPolarHBondContact O-CE 3.07Å; R167-L174 PolarHBondContact N-O 3.25Å; R167-L174 PolarHBondContact O-N 3.39Å |
| 168 | N | 90.3 | Very high | 93.9 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 144 | 179.6 | -63.3 | -44 | 0 | 0 | 0 | 111.4 | V166 A173 | V166-N168 VanDerWaalsContact CG1-OD1 3.32Å; V166-N168 WeakPolarHBondContact CG1-OD1 3.49Å; N168-A173 WeakPolarHBondContact OD1-CB 3.47Å |
| 169 | S | 87.2 | Confident | 94 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 40% | 0.399 | 24% | 0.236 | S | C | . | . | trans | -128.6 | -175.9 | 162.3 | 88.9 | 0 | 0 | 0 | 0 | 109 | S171 M172 M196 | S169-S171 VanDerWaalsContact C-N 3.26Å; S169-S171 PolarHBondContact O-N 3.42Å; S169-S171 PolarHBondContact OG-N 3.46Å; S169-S171 PolarHBondContact OG-OG 2.88Å; S169-M172 PolarHBondContact N-O 3.25Å; S169-M172 WeakPolarHBondContact OG-CG 3.37Å; S169-M172 PolarHBondContact OG-N 2.84Å; S169-M196 WeakPolarHBondContact O-CE 3.32Å | ||
| 170 | R | 84.3 | Confident | 94 | Very high | 232 Ų | 232 | 49.7 Ų | 49.7 | 88% | 0.875 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -63.4 | -32.8 | 175.1 | -67.6 | -175.5 | -177.1 | 175.1 | 1.5 | 112.9 | ||
| 171 | S | 87.5 | Confident | 93.9 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -108.1 | -10.1 | -170.9 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | S169 M196 D197 | S169-S171 VanDerWaalsContact C-N 3.26Å; S169-S171 PolarHBondContact O-N 3.42Å; S169-S171 PolarHBondContact OG-N 3.46Å; S169-S171 PolarHBondContact OG-OG 2.88Å; S171-M196 PolarHBondContact O-N 3.19Å; S171-D197 PolarHBondContact O-N 3.5Å |
| 172 | M | 92.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.069 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 157.6 | -174.8 | 58 | 132.6 | -65.3 | 0 | 0 | 114.3 | R167 S169 L174 Y193 L194 M196 | R167-M172 WeakPolarHBondContact O-CE 3.07Å; S169-M172 PolarHBondContact N-O 3.25Å; S169-M172 WeakPolarHBondContact OG-CG 3.37Å; S169-M172 PolarHBondContact OG-N 2.84Å; M172-L174 HydrophobicContact CE-CB 3.32Å; M172-Y193 HydrophobicContact CB-CD1 4.32Å; M172-Y193 HydrophobicContact CB-CE1 3.43Å; M172-Y193 VanDerWaalsContact CB-CE1 3.43Å; M172-Y193 HydrophobicContact CB-CE2 4.16Å; M172-Y193 VanDerWaalsContact CB-OH 3.31Å; M172-Y193 WeakPolarHBondContact CB-OH 3.33Å; M172-Y193 HydrophobicContact CE-CE2 4.34Å; M172-Y193 HydrophobicContact CG-CE1 4.33Å; M172-Y193 HydrophobicContact CG-CE2 4.23Å; M172-Y193 WeakPolarHBondContact CG-OH 3.46Å; M172-Y193 HydrophobicContact SD-CD2 4.25Å; M172-Y193 HydrophobicContact SD-CE2 3.45Å; M172-Y193 WeakPolarHBondContact SD-CE2 3.39Å; M172-L194 CarbonylContact C-O 3.57Å; M172-L194 WeakPolarHBondContact CA-O 3.35Å; M172-L194 WeakPolarHBondContact CB-O 3.15Å; M172-M196 WeakPolarHBondContact O-CE 3.47Å |
| 173 | A | 93.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V166 N168 L194 M196 | V166-A173 HydrophobicContact CG1-CB 4.37Å; N168-A173 WeakPolarHBondContact OD1-CB 3.47Å; A173-L194 HydrophobicContact CB-CB 4.24Å; A173-L194 HydrophobicContact CB-CD2 4.47Å; A173-L194 PolarHBondContact N-O 3.03Å; A173-L194 PolarHBondContact O-N 3.42Å; A173-M196 HydrophobicContact CB-SD 4.31Å |
| 174 | L | 95.4 | Very high | 93.4 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.7 | 179.1 | 173.9 | 65.8 | 0 | 0 | 0 | 108.8 | V166 R167 M172 M191 H192 Y216 | V166-L174 CarbonylContact C-O 3.42Å; V166-L174 WeakPolarHBondContact CA-O 3.49Å; R167-L174 PolarHBondContact N-O 3.25Å; R167-L174 PolarHBondContact O-N 3.39Å; M172-L174 HydrophobicContact CE-CB 3.32Å; L174-M191 HydrophobicContact CD1-CE 4.34Å; L174-H192 WeakPolarHBondContact CA-O 3.16Å; L174-Y216 WeakPolarHBondContact CD1-OH 3.27Å; L174-Y216 HydrophobicContact CD2-CE2 4.06Å; L174-Y216 WeakPolarHBondContact CD2-OH 3.49Å |
| 175 | S | 95.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147.5 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | N163 G165 H192 | N163-S175 WeakPolarHBondContact ND2-CB 3.44Å; N163-S175 PolarHBondContact ND2-OG 2.84Å; N163-S175 VanDerWaalsContact ND2-OG 3.09Å; G165-S175 WeakPolarHBondContact O-CA 3.48Å; S175-H192 PolarHBondContact N-O 3.36Å; S175-H192 PolarHBondContact O-N 3.16Å |
| 176 | I | 96.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 36% | 0.359 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 110.9 | 164 | -57.6 | 175.9 | 0 | 0 | 0 | 107.1 | L164 G165 N189 | L164-I176 HydrophobicContact CB-CB 4.36Å; L164-I176 WeakPolarHBondContact CB-O 3.49Å; L164-I176 HydrophobicContact CD1-CG2 4.03Å; L164-I176 PolarHBondContact N-O 2.95Å; G165-I176 PolarHBondContact O-N 3.33Å; I176-N189 HydrophobicContact CG2-CB 4.07Å |
| 177 | I | 97 | Very high | 93.4 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 111.4 | -179.5 | -49.9 | -55.3 | 0 | 0 | 0 | 108.3 | W111 M161 N163 T179 N189 V190 H192 | W111-I177 HydrophobicContact CH2-CG2 4.22Å; M161-I177 HydrophobicContact CB-CG2 3.95Å; N163-I177 HydrophobicContact CB-CD1 4.06Å; I177-T179 HydrophobicContact CG2-CG2 3.87Å; I177-N189 WeakPolarHBondContact O-CA 3.5Å; I177-V190 PolarHBondContact N-O 3.27Å; I177-V190 PolarHBondContact O-N 3.26Å; I177-H192 HydrophobicContact CG1-CB 4.07Å |
| 178 | E | 96.6 | Very high | 93.3 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 125.5 | 167.7 | -171.7 | -169.8 | -91.7 | 0 | 0 | 107.8 | M161 R162 L164 R187 | M161-E178 CarbonylContact C-O 3.48Å; M161-E178 WeakPolarHBondContact CA-O 3.14Å; R162-E178 HydrophobicContact CG-CB 4.02Å; R162-E178 IonicContact CZ-OE1 3.61Å; R162-E178 IonicContact CZ-OE2 3.82Å; R162-E178 VanDerWaalsContact CZ-OE2 3.27Å; R162-E178 PolarHBondContact N-O 3.38Å; R162-E178 IonicContact NE-OE1 3.05Å; R162-E178 IonicContact NE-OE2 3.96Å; R162-E178 PolarHBondContact NE-OE2 2.94Å; R162-E178 VanDerWaalsContact NH2-CD 3.29Å; R162-E178 IonicContact NH2-OE1 3.91Å; R162-E178 PolarHBondContact NH2-OE1 2.86Å; R162-E178 IonicContact NH2-OE2 3.33Å; R162-E178 PolarHBondContact NH2-OE2 3.01Å; R162-E178 PolarHBondContact O-N 3.48Å; L164-E178 HydrophobicContact CD1-CB 3.96Å; L164-E178 HydrophobicContact CD2-CB 3.85Å; L164-E178 HydrophobicContact CG-CB 3.83Å; E178-R187 IonicContact OE1-NH1 2.7Å |
| 179 | T | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.7 | 177.8 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | W111 W115 I159 H160 M161 I177 R187 R188 | W111-T179 HydrophobicContact CE3-CG2 4.37Å; W111-T179 HydrophobicContact CH2-CG2 4.06Å; W111-T179 HydrophobicContact CZ3-CG2 3.7Å; W115-T179 VanDerWaalsContact CE2-OG1 3.31Å; W115-T179 WeakPolarHBondContact CZ2-O 3.27Å; W115-T179 WeakPolarHBondContact CZ2-OG1 3.45Å; W115-T179 VanDerWaalsContact NE1-CB 3.33Å; W115-T179 PolarHBondContact NE1-OG1 3.04Å; I159-T179 HydrophobicContact CG2-CG2 4.2Å; H160-T179 CarbonylContact O-C 3.56Å; H160-T179 VanDerWaalsContact O-CA 3.28Å; H160-T179 WeakPolarHBondContact O-CA 3.49Å; M161-T179 HydrophobicContact CB-CG2 3.96Å; I177-T179 HydrophobicContact CG2-CG2 3.87Å; T179-R187 CarbonylContact O-C 3.57Å; T179-R187 VanDerWaalsContact O-CA 3.3Å; T179-R187 WeakPolarHBondContact O-CA 3.38Å; T179-R188 PolarHBondContact N-O 3.34Å; T179-R188 PolarHBondContact O-N 3.26Å; T179-R188 PolarHBondContact OG1-O 3.46Å |
| 180 | V | 96.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 16% | 0.158 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123.2 | -179.4 | -173.1 | 0 | 0 | 0 | 0 | 109 | H160 E186 R187 | H160-V180 HydrophobicContact CB-CB 4.44Å; H160-V180 PolarHBondContact N-O 3.25Å; H160-V180 PolarHBondContact O-N 3.34Å; V180-E186 WeakPolarHBondContact CA-O 3.48Å; V180-R187 HydrophobicContact CG1-CG 4.29Å; V180-R187 HydrophobicContact CG2-CG 3.93Å |
| 181 | H | 95.1 | Very high | 94.4 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 128.7 | 175.2 | -178.3 | -106.7 | 0 | 0 | 0 | 110.4 | W115 I159 V183 T184 R185 E186 | W115-H181 HydrophobicContact CD2-CB 4.49Å; W115-H181 HydrophobicContact CE3-CB 3.82Å; W115-H181 HydrophobicContact CH2-CB 3.88Å; W115-H181 HydrophobicContact CZ3-CB 3.49Å; W115-H181 VanDerWaalsContact CZ3-CB 3.49Å; I159-H181 HydrophobicContact CD1-CB 4.13Å; H181-V183 VanDerWaalsContact C-N 3.33Å; H181-V183 PolarHBondContact O-N 3.27Å; H181-T184 WeakPolarHBondContact CB-OG1 3.46Å; H181-T184 WeakPolarHBondContact ND1-CG2 3.22Å; H181-T184 PolarHBondContact ND1-N 3.49Å; H181-T184 VanDerWaalsContact ND1-N 3.15Å; H181-T184 PolarHBondContact ND1-OG1 3.34Å; H181-R185 WeakPolarHBondContact O-CA 3.28Å; H181-R185 PolarHBondContact O-N 3.03Å; H181-E186 PolarHBondContact N-O 3.5Å |
| 182 | E | 94.9 | Very high | 94.8 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -37.6 | -169.5 | -177.6 | 167.9 | -157.6 | 0 | 0 | 113.1 | K155 R158 H160 R185 | K155-E182 VanDerWaalsContact CE-OE2 3.24Å; K155-E182 WeakPolarHBondContact CE-OE2 3.47Å; K155-E182 IonicContact NZ-OE1 2.77Å; K155-E182 PolarHBondContact NZ-OE1 2.92Å; K155-E182 IonicContact NZ-OE2 3.31Å; K155-E182 PolarHBondContact NZ-OE2 2.81Å; R158-E182 HydrophobicContact CB-CB 4.22Å; R158-E182 VanDerWaalsContact O-CB 3.26Å; R158-E182 WeakPolarHBondContact O-CB 3.45Å; R158-E182 PolarHBondContact O-N 3.06Å; H160-E182 IonicContact NE2-OE1 3.47Å; E182-R185 WeakPolarHBondContact O-CD 3.25Å; E182-R185 VanDerWaalsContact O-CZ 3.28Å; E182-R185 PolarHBondContact O-NE 3.48Å; E182-R185 PolarHBondContact O-NH1 2.86Å |
| 183 | V | 92.5 | Very high | 95 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 58% | 0.582 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -53.2 | -175.9 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | H181 R185 | H181-V183 VanDerWaalsContact C-N 3.33Å; H181-V183 PolarHBondContact O-N 3.27Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 2.92Å |
| 184 | T | 92.6 | Very high | 95.1 | Very high | 74 Ų | 74 | 48.3 Ų | 48.3 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -16.5 | -175.3 | 60.4 | 0 | 0 | 0 | 0 | 112.6 | H181 E186 | H181-T184 WeakPolarHBondContact CB-OG1 3.46Å; H181-T184 WeakPolarHBondContact ND1-CG2 3.22Å; H181-T184 PolarHBondContact ND1-N 3.49Å; H181-T184 VanDerWaalsContact ND1-N 3.15Å; H181-T184 PolarHBondContact ND1-OG1 3.34Å; T184-E186 PolarHBondContact O-N 3.43Å; T184-E186 PolarHBondContact OG1-N 3.42Å |
| 185 | R | 94.9 | Very high | 95.1 | Very high | 175 Ų | 175 | 47.6 Ų | 47.6 | 66% | 0.66 | 23% | 0.226 | S | C | * | . | trans | 58.3 | 9 | -172.3 | -52.3 | -60 | -170.4 | -179.3 | -0.7 | 114.2 | H181 E182 V183 | H181-R185 WeakPolarHBondContact O-CA 3.28Å; H181-R185 PolarHBondContact O-N 3.03Å; E182-R185 WeakPolarHBondContact O-CD 3.25Å; E182-R185 VanDerWaalsContact O-CZ 3.28Å; E182-R185 PolarHBondContact O-NE 3.48Å; E182-R185 PolarHBondContact O-NH1 2.86Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 2.92Å | ||
| 186 | E | 94 | Very high | 94.7 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | trans | -59.8 | 141.2 | 173.1 | -174.6 | -174.7 | 172.1 | 0 | 0 | 109 | W115 K122 V180 H181 T184 R188 | W115-E186 HydrophobicContact CH2-CB 4.24Å; W115-E186 HydrophobicContact CH2-CG 4.3Å; W115-E186 VanDerWaalsContact CH2-O 3.29Å; W115-E186 WeakPolarHBondContact CH2-O 3.47Å; W115-E186 HydrophobicContact CZ3-CB 4.07Å; W115-E186 HydrophobicContact CZ3-CG 4.22Å; K122-E186 IonicContact NZ-OE1 3.03Å; K122-E186 PolarHBondContact NZ-OE1 2.9Å; V180-E186 WeakPolarHBondContact CA-O 3.48Å; H181-E186 PolarHBondContact N-O 3.5Å; T184-E186 PolarHBondContact O-N 3.43Å; T184-E186 PolarHBondContact OG1-N 3.42Å; E186-R188 VanDerWaalsContact CD-NE 3.28Å; E186-R188 HydrophobicContact CG-CG 4.39Å; E186-R188 IonicContact OE1-CZ 2.93Å; E186-R188 IonicContact OE1-NE 3.07Å; E186-R188 PolarHBondContact OE1-NE 2.98Å; E186-R188 IonicContact OE1-NH2 3.66Å; E186-R188 PolarHBondContact OE1-NH2 2.98Å; E186-R188 IonicContact OE2-CZ 3.79Å; E186-R188 IonicContact OE2-NE 2.82Å; E186-R188 PolarHBondContact OE2-NE 3.24Å; E186-R188 IonicContact OE2-NH2 3.62Å; E186-R188 PolarHBondContact OE2-NH2 3.33Å | ||
| 187 | R | 94.2 | Very high | 94.2 | Very high | 165 Ų | 165 | 48.2 Ų | 48.2 | 62% | 0.623 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.4 | 173.5 | -54.4 | -166.1 | 179.8 | -168.1 | 3.1 | 109.7 | E178 T179 V180 | E178-R187 IonicContact OE1-NH1 2.7Å; T179-R187 CarbonylContact O-C 3.57Å; T179-R187 VanDerWaalsContact O-CA 3.3Å; T179-R187 WeakPolarHBondContact O-CA 3.38Å; V180-R187 HydrophobicContact CG1-CG 4.29Å; V180-R187 HydrophobicContact CG2-CG 3.93Å |
| 188 | R | 92.9 | Very high | 93.5 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.7 | 174.5 | -64 | 178.9 | -173 | 163.8 | 14 | 109.4 | W115 D117 T179 E186 | W115-R188 VanDerWaalsContact CE3-CZ 3.47Å; W115-R188 HydrophobicContact CH2-CB 3.96Å; W115-R188 HydrophobicContact CH2-CG 3.54Å; W115-R188 HydrophobicContact CZ2-CB 3.73Å; W115-R188 HydrophobicContact CZ2-CG 3.82Å; W115-R188 HydrophobicContact CZ3-CG 4Å; W115-R188 PolarHBondContact O-NH1 2.84Å; D117-R188 IonicContact OD1-CZ 2.66Å; D117-R188 IonicContact OD1-NH1 3.37Å; D117-R188 IonicContact OD1-NH2 3.9Å; D117-R188 PolarHBondContact OD1-NH2 3.28Å; T179-R188 PolarHBondContact N-O 3.34Å; T179-R188 PolarHBondContact O-N 3.26Å; T179-R188 PolarHBondContact OG1-O 3.46Å; E186-R188 VanDerWaalsContact CD-NE 3.28Å; E186-R188 HydrophobicContact CG-CG 4.39Å; E186-R188 IonicContact OE1-CZ 2.93Å; E186-R188 IonicContact OE1-NE 3.07Å; E186-R188 PolarHBondContact OE1-NE 2.98Å; E186-R188 IonicContact OE1-NH2 3.66Å; E186-R188 PolarHBondContact OE1-NH2 2.98Å; E186-R188 IonicContact OE2-CZ 3.79Å; E186-R188 IonicContact OE2-NE 2.82Å; E186-R188 PolarHBondContact OE2-NE 3.24Å; E186-R188 IonicContact OE2-NH2 3.62Å; E186-R188 PolarHBondContact OE2-NH2 3.33Å |
| 189 | N | 93.6 | Very high | 92.1 | Very high | 97 Ų | 97 | 53 Ų | 53 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.4 | 167.6 | -70.7 | -16.4 | 0 | 0 | 0 | 108.6 | I176 I177 | I176-N189 HydrophobicContact CG2-CB 4.07Å; I177-N189 WeakPolarHBondContact O-CA 3.5Å |
| 190 | V | 94.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.3 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | V114 I126 I177 | V114-V190 HydrophobicContact CG1-CG2 4.24Å; I126-V190 HydrophobicContact CD1-CG1 3.63Å; I126-V190 HydrophobicContact CG1-CG1 3.8Å; I177-V190 PolarHBondContact N-O 3.27Å; I177-V190 PolarHBondContact O-N 3.26Å |
| 191 | M | 95.6 | Very high | 88.6 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 22% | 0.217 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131.1 | 175.1 | -66.5 | 176.7 | 60.5 | 0 | 0 | 108.9 | T124 L125 I126 L174 Y216 E220 | T124-M191 PolarHBondContact O-N 3.3Å; L125-M191 CarbonylContact C-O 3.5Å; L125-M191 WeakPolarHBondContact CA-O 3.29Å; L125-M191 HydrophobicContact CD1-CB 3.95Å; I126-M191 PolarHBondContact N-O 3.21Å; L174-M191 HydrophobicContact CD1-CE 4.34Å; M191-Y216 WeakPolarHBondContact CE-OH 3.37Å; M191-E220 HydrophobicContact CE-CG 3.93Å; M191-E220 WeakPolarHBondContact CE-OE2 3.44Å; M191-E220 VanDerWaalsContact SD-OE2 3.38Å |
| 192 | H | 96.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 112 | -179.5 | -177.3 | -70.6 | 0 | 0 | 0 | 109.2 | I126 Y143 W144 L174 S175 I177 | I126-H192 WeakPolarHBondContact O-CA 3.45Å; Y143-H192 AromaticContact CZ-NE2 3.59Å; Y143-H192 PolarHBondContact OH-CD2 2.83Å; Y143-H192 PolarHBondContact OH-NE2 3.39Å; W144-H192 AromaticContact CD2-CE1 3.91Å; W144-H192 AromaticContact CD2-NE2 3.53Å; W144-H192 AromaticContact CE2-CE1 3.49Å; W144-H192 VanDerWaalsContact CE2-CE1 3.49Å; W144-H192 AromaticContact CE2-NE2 3.63Å; W144-H192 AromaticContact CE3-NE2 3.61Å; W144-H192 AromaticContact CH2-CE1 3.77Å; W144-H192 AromaticContact CH2-NE2 3.92Å; W144-H192 AromaticContact CZ2-CE1 3.42Å; W144-H192 VanDerWaalsContact CZ2-CE1 3.42Å; W144-H192 WeakPolarHBondContact CZ2-CE1 3.38Å; W144-H192 AromaticContact CZ2-NE2 3.84Å; W144-H192 AromaticContact CZ3-NE2 3.81Å; W144-H192 AromaticContact NE1-CE1 4Å; L174-H192 WeakPolarHBondContact CA-O 3.16Å; S175-H192 PolarHBondContact N-O 3.36Å; S175-H192 PolarHBondContact O-N 3.16Å; I177-H192 HydrophobicContact CG1-CB 4.07Å |
| 193 | Y | 96.9 | Very high | 87.4 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 110.1 | 176.2 | -169.6 | -66.7 | 0 | 0 | 0 | 108.8 | I126 C128 M172 Y195 L213 Y216 | I126-Y193 PolarHBondContact O-N 3.1Å; C128-Y193 PolarHBondContact N-O 3.28Å; M172-Y193 HydrophobicContact CB-CD1 4.32Å; M172-Y193 HydrophobicContact CB-CE1 3.43Å; M172-Y193 VanDerWaalsContact CB-CE1 3.43Å; M172-Y193 HydrophobicContact CB-CE2 4.16Å; M172-Y193 VanDerWaalsContact CB-OH 3.31Å; M172-Y193 WeakPolarHBondContact CB-OH 3.33Å; M172-Y193 HydrophobicContact CE-CE2 4.34Å; M172-Y193 HydrophobicContact CG-CE1 4.33Å; M172-Y193 HydrophobicContact CG-CE2 4.23Å; M172-Y193 WeakPolarHBondContact CG-OH 3.46Å; M172-Y193 HydrophobicContact SD-CD2 4.25Å; M172-Y193 HydrophobicContact SD-CE2 3.45Å; M172-Y193 WeakPolarHBondContact SD-CE2 3.39Å; Y193-Y195 HydrophobicContact CE1-CD2 4.09Å; Y193-L213 HydrophobicContact CD1-CD1 3.66Å; Y193-L213 HydrophobicContact CD2-CD1 4.21Å; Y193-L213 HydrophobicContact CE1-CB 4.44Å; Y193-L213 HydrophobicContact CE1-CD1 3.57Å; Y193-L213 HydrophobicContact CE1-CG 4.4Å; Y193-L213 HydrophobicContact CE2-CD1 4.07Å; Y193-L213 HydrophobicContact CG-CD1 4Å; Y193-Y216 AromaticContact CD2-CD1 3.47Å; Y193-Y216 HydrophobicContact CD2-CD1 3.47Å; Y193-Y216 VanDerWaalsContact CD2-CD1 3.47Å; Y193-Y216 HydrophobicContact CD2-CD2 4.48Å; Y193-Y216 AromaticContact CD2-CE1 3.5Å; Y193-Y216 HydrophobicContact CD2-CE1 3.5Å; Y193-Y216 VanDerWaalsContact CD2-CE1 3.5Å; Y193-Y216 HydrophobicContact CD2-CE2 4.48Å; Y193-Y216 AromaticContact CD2-CG 4Å; Y193-Y216 HydrophobicContact CD2-CG 4Å; Y193-Y216 AromaticContact CE2-CD1 3.73Å; Y193-Y216 HydrophobicContact CE2-CD1 3.73Å; Y193-Y216 HydrophobicContact CE2-CD2 4.24Å; Y193-Y216 HydrophobicContact CE2-CE1 4.15Å; Y193-Y216 AromaticContact CE2-CG 3.79Å; Y193-Y216 HydrophobicContact CE2-CG 3.79Å; Y193-Y216 HydrophobicContact CG-CD1 4.5Å; Y193-Y216 HydrophobicContact CG-CE1 4.44Å |
| 194 | L | 95.2 | Very high | 87.2 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 113 | 169.9 | 176.8 | 62.7 | 0 | 0 | 0 | 109.5 | C128 F132 W144 M172 A173 M196 | C128-L194 HydrophobicContact CB-CD1 3.93Å; F132-L194 HydrophobicContact CD2-CD1 4.25Å; F132-L194 HydrophobicContact CE2-CD1 3.99Å; W144-L194 HydrophobicContact CZ2-CD2 4.4Å; M172-L194 CarbonylContact C-O 3.57Å; M172-L194 WeakPolarHBondContact CA-O 3.35Å; M172-L194 WeakPolarHBondContact CB-O 3.15Å; A173-L194 HydrophobicContact CB-CB 4.24Å; A173-L194 HydrophobicContact CB-CD2 4.47Å; A173-L194 PolarHBondContact N-O 3.03Å; A173-L194 PolarHBondContact O-N 3.42Å; L194-M196 HydrophobicContact CD2-CG 4.36Å; L194-M196 HydrophobicContact CG-CG 4.14Å |
| 195 | Y | 94.3 | Very high | 86.8 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.8 | 172.2 | -171.3 | -96.6 | 0 | 0 | 0 | 109.7 | C128 L129 Y193 D197 W198 P204 F210 L213 | C128-Y195 PolarHBondContact O-N 3.49Å; L129-Y195 HydrophobicContact CD2-CD1 4.36Å; L129-Y195 HydrophobicContact CD2-CG 4.1Å; Y193-Y195 HydrophobicContact CE1-CD2 4.09Å; Y195-D197 VanDerWaalsContact CE1-C 3.41Å; Y195-D197 HydrophobicContact CE1-CB 3.9Å; Y195-D197 VanDerWaalsContact CE1-O 3.29Å; Y195-D197 WeakPolarHBondContact CE1-O 3.37Å; Y195-D197 HydrophobicContact CE2-CB 4.39Å; Y195-D197 PolarHBondContact OH-OD2 3.06Å; Y195-W198 HydrophobicContact CD1-CB 4.07Å; Y195-W198 HydrophobicContact CD1-CE3 4.3Å; Y195-W198 HydrophobicContact CE1-CB 4.02Å; Y195-W198 HydrophobicContact CE1-CE3 4.08Å; Y195-P204 HydrophobicContact CE1-CB 4.39Å; Y195-F210 HydrophobicContact CE1-CD2 4.37Å; Y195-F210 HydrophobicContact CE2-CD2 4.28Å; Y195-F210 PolarHBondContact OH-N 3.29Å; Y195-L213 HydrophobicContact CD2-CB 4.21Å; Y195-L213 HydrophobicContact CD2-CD2 3.82Å; Y195-L213 HydrophobicContact CE2-CB 4.37Å; Y195-L213 HydrophobicContact CE2-CD2 4.43Å; Y195-L213 HydrophobicContact CG-CD2 4.25Å |
| 196 | M | 88.9 | Confident | 86.5 | Confident | 65 Ų | 65 | 45.1 Ų | 45.1 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | trans | -101.3 | -18.3 | -174.4 | -57.5 | -167.9 | -58.6 | 0 | 0 | 112.9 | S169 S171 M172 A173 L194 W198 F199 | S169-M196 WeakPolarHBondContact O-CE 3.32Å; S171-M196 PolarHBondContact O-N 3.19Å; M172-M196 WeakPolarHBondContact O-CE 3.47Å; A173-M196 HydrophobicContact CB-SD 4.31Å; L194-M196 HydrophobicContact CD2-CG 4.36Å; L194-M196 HydrophobicContact CG-CG 4.14Å; M196-W198 PolarHBondContact O-N 3.33Å; M196-F199 WeakPolarHBondContact O-CD2 3.48Å; M196-F199 VanDerWaalsContact O-CE2 3.22Å; M196-F199 WeakPolarHBondContact O-CE2 3.41Å | ||
| 197 | D | 85.8 | Confident | 86.4 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -84.7 | 45.3 | -172.5 | -166.6 | 58.3 | 0 | 0 | 0 | 113.3 | S171 Y195 P204 V205 C206 | S171-D197 PolarHBondContact O-N 3.5Å; Y195-D197 VanDerWaalsContact CE1-C 3.41Å; Y195-D197 HydrophobicContact CE1-CB 3.9Å; Y195-D197 VanDerWaalsContact CE1-O 3.29Å; Y195-D197 WeakPolarHBondContact CE1-O 3.37Å; Y195-D197 HydrophobicContact CE2-CB 4.39Å; Y195-D197 PolarHBondContact OH-OD2 3.06Å; D197-P204 WeakPolarHBondContact O-CA 3.38Å; D197-V205 PolarHBondContact O-N 3.19Å; D197-V205 WeakPolarHBondContact OD1-CB 3.5Å; D197-C206 WeakPolarHBondContact OD2-CA 3.05Å; D197-C206 WeakPolarHBondContact OD2-CB 3.42Å; D197-C206 PolarHBondContact OD2-N 2.78Å | ||
| 198 | W | 82.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | trans | -136.3 | 68.5 | 178.5 | -155.5 | -49.2 | 0 | 0 | 0 | 109.5 | K131 Y195 M196 H201 C202 L203 P204 F210 R242 M245 | K131-W198 VanDerWaalsContact CE-O 3.32Å; K131-W198 WeakPolarHBondContact CE-O 3.13Å; Y195-W198 HydrophobicContact CD1-CB 4.07Å; Y195-W198 HydrophobicContact CD1-CE3 4.3Å; Y195-W198 HydrophobicContact CE1-CB 4.02Å; Y195-W198 HydrophobicContact CE1-CE3 4.08Å; M196-W198 PolarHBondContact O-N 3.33Å; W198-H201 PolarHBondContact NE1-O 3.45Å; W198-H201 VanDerWaalsContact NE1-O 3.11Å; W198-C202 VanDerWaalsContact CZ2-O 3.3Å; W198-C202 WeakPolarHBondContact CZ2-O 3.31Å; W198-L203 VanDerWaalsContact NE1-C 3.32Å; W198-L203 PolarHBondContact NE1-O 2.81Å; W198-P204 HydrophobicContact CD2-CG 4.12Å; W198-P204 HydrophobicContact CE3-CB 4.22Å; W198-P204 HydrophobicContact CE3-CG 3.57Å; W198-P204 HydrophobicContact CH2-CG 3.87Å; W198-P204 HydrophobicContact CZ2-CG 4.34Å; W198-P204 HydrophobicContact CZ3-CG 3.45Å; W198-P204 VanDerWaalsContact CZ3-CG 3.45Å; W198-F210 HydrophobicContact CE3-CE2 4.42Å; W198-F210 HydrophobicContact CZ3-CD2 4.28Å; W198-F210 AromaticContact CZ3-CE2 3.76Å; W198-F210 HydrophobicContact CZ3-CE2 3.76Å; W198-F210 HydrophobicContact CZ3-CZ 4.18Å; W198-R242 HydrophobicContact CD2-CG 4.27Å; W198-R242 HydrophobicContact CE3-CB 4.45Å; W198-R242 HydrophobicContact CE3-CG 4.5Å; W198-R242 HydrophobicContact CH2-CB 3.64Å; W198-R242 HydrophobicContact CH2-CG 3.73Å; W198-R242 HydrophobicContact CZ2-CB 3.96Å; W198-R242 HydrophobicContact CZ2-CG 3.49Å; W198-R242 VanDerWaalsContact CZ2-CG 3.49Å; W198-R242 HydrophobicContact CZ3-CB 3.91Å; W198-R242 HydrophobicContact CZ3-CG 4.24Å; W198-M245 HydrophobicContact CH2-CE 3.22Å; W198-M245 HydrophobicContact CH2-SD 3.85Å; W198-M245 HydrophobicContact CZ2-CE 4.25Å; W198-M245 HydrophobicContact CZ3-CE 3.6Å | ||
| 199 | F | 66.5 | Low | 86.3 | Confident | 120 Ų | 120 | 34.6 Ų | 34.6 | 53% | 0.526 | 18% | 0.175 | S | C | . | . | trans | -90 | 120.9 | -175 | -82.7 | -88.3 | 0 | 0 | 0 | 112.4 | M196 H201 V205 | M196-F199 WeakPolarHBondContact O-CD2 3.48Å; M196-F199 VanDerWaalsContact O-CE2 3.22Å; M196-F199 WeakPolarHBondContact O-CE2 3.41Å; F199-H201 WeakPolarHBondContact O-CB 3.31Å; F199-H201 PolarHBondContact O-CD2 2.78Å; F199-H201 VanDerWaalsContact O-CG 3.24Å; F199-H201 PolarHBondContact O-N 3.38Å; F199-V205 HydrophobicContact CB-CG2 4.06Å; F199-V205 HydrophobicContact CD2-CG2 4.34Å | ||
| 200 | E | 60.3 | Low | 86.3 | Confident | 136 Ų | 136 | 30 Ų | 30 | 64% | 0.636 | 15% | 0.151 | S | C | * | . | S | Bend | trans | 58.4 | -18.4 | 163.7 | -67.8 | -175.1 | -179.2 | 0 | 0 | 116.3 | K131 | K131-E200 VanDerWaalsContact NZ-CA 3.28Š|
| 201 | H | 59.2 | Low | 86.4 | Confident | 68 Ų | 68 | 30.7 Ų | 30.7 | 32% | 0.315 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -101.5 | 159.1 | -173.3 | -55.2 | -54.4 | 0 | 0 | 0 | 109.7 | W198 F199 L203 P322 | W198-H201 PolarHBondContact NE1-O 3.45Å; W198-H201 VanDerWaalsContact NE1-O 3.11Å; F199-H201 WeakPolarHBondContact O-CB 3.31Å; F199-H201 PolarHBondContact O-CD2 2.78Å; F199-H201 VanDerWaalsContact O-CG 3.24Å; F199-H201 PolarHBondContact O-N 3.38Å; H201-L203 PolarHBondContact O-N 3.29Å; H201-P322 WeakPolarHBondContact CD2-CD 3.45Å; H201-P322 VanDerWaalsContact CD2-CG 3.45Å; H201-P322 WeakPolarHBondContact CD2-CG 3.2Å; H201-P322 WeakPolarHBondContact NE2-CG 3.09Å |
| 202 | C | 77.7 | Confident | 86.3 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 38% | 0.378 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -65.5 | -7 | 179.7 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | W198 L281 E283 Q284 | W198-C202 VanDerWaalsContact CZ2-O 3.3Å; W198-C202 WeakPolarHBondContact CZ2-O 3.31Å; C202-L281 HydrophobicContact CB-CD1 3.6Å; C202-L281 VanDerWaalsContact SG-CD1 3.52Å; C202-E283 HydrophobicContact CB-CB 4.34Å; C202-Q284 WeakPolarHBondContact O-CG 3.48Å; C202-Q284 PolarHBondContact O-NE2 3.47Å |
| 203 | L | 86.4 | Confident | 86.3 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -137.5 | 159.8 | -166.4 | -52.9 | -179.8 | 0 | 0 | 0 | 113.3 | W198 H201 E283 Q284 F287 V321 | W198-L203 VanDerWaalsContact NE1-C 3.32Å; W198-L203 PolarHBondContact NE1-O 2.81Å; H201-L203 PolarHBondContact O-N 3.29Å; L203-E283 HydrophobicContact CD1-CB 4.13Å; L203-E283 VanDerWaalsContact CD2-C 3.41Å; L203-E283 HydrophobicContact CD2-CB 3.95Å; L203-E283 VanDerWaalsContact CD2-O 3.27Å; L203-E283 WeakPolarHBondContact CD2-O 3.22Å; L203-E283 HydrophobicContact CG-CB 4.2Å; L203-Q284 HydrophobicContact CD2-CB 4.36Å; L203-Q284 HydrophobicContact CD2-CG 3.94Å; L203-F287 HydrophobicContact CB-CD2 4.24Å; L203-F287 HydrophobicContact CB-CG 4.5Å; L203-F287 HydrophobicContact CD1-CB 4.01Å; L203-F287 HydrophobicContact CD1-CD2 4.08Å; L203-F287 HydrophobicContact CD1-CG 4.36Å; L203-F287 HydrophobicContact CD2-CB 3.66Å; L203-F287 HydrophobicContact CD2-CG 4.13Å; L203-F287 HydrophobicContact CG-CB 4.34Å; L203-V321 HydrophobicContact CB-CG2 3.9Å; L203-V321 HydrophobicContact CD1-CG2 3.8Å; L203-V321 HydrophobicContact CG-CG2 4.48Å |
| 204 | P | 88 | Confident | 86.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -57.9 | 145.3 | 167.5 | -19.3 | 30.6 | 0 | 0 | 0 | 111.7 | Y195 D197 W198 F210 M245 F287 | Y195-P204 HydrophobicContact CE1-CB 4.39Å; D197-P204 WeakPolarHBondContact O-CA 3.38Å; W198-P204 HydrophobicContact CD2-CG 4.12Å; W198-P204 HydrophobicContact CE3-CB 4.22Å; W198-P204 HydrophobicContact CE3-CG 3.57Å; W198-P204 HydrophobicContact CH2-CG 3.87Å; W198-P204 HydrophobicContact CZ2-CG 4.34Å; W198-P204 HydrophobicContact CZ3-CG 3.45Å; W198-P204 VanDerWaalsContact CZ3-CG 3.45Å; P204-F210 HydrophobicContact CB-CB 4.17Å; P204-F210 HydrophobicContact CB-CG 4.42Å; P204-F210 HydrophobicContact CG-CB 4.12Å; P204-F210 HydrophobicContact CG-CD1 4.29Å; P204-F210 HydrophobicContact CG-CD2 3.96Å; P204-F210 HydrophobicContact CG-CE2 4.46Å; P204-F210 HydrophobicContact CG-CG 3.87Å; P204-M245 HydrophobicContact CG-CE 3.76Å; P204-F287 HydrophobicContact CB-CE1 4.35Å; P204-F287 HydrophobicContact CB-CZ 3.86Å; P204-F287 HydrophobicContact CG-CD1 4.35Å; P204-F287 HydrophobicContact CG-CE1 3.54Å; P204-F287 HydrophobicContact CG-CE2 4.4Å; P204-F287 HydrophobicContact CG-CZ 3.56Å | ||
| 205 | V | 85.3 | Confident | 86.3 | Confident | 22 Ų | 22 | 36 Ų | 36 | 13% | 0.133 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -73.2 | -39.5 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | D197 F199 V321 | D197-V205 PolarHBondContact O-N 3.19Å; D197-V205 WeakPolarHBondContact OD1-CB 3.5Å; F199-V205 HydrophobicContact CB-CG2 4.06Å; F199-V205 HydrophobicContact CD2-CG2 4.34Å; V205-V321 WeakPolarHBondContact O-CG1 3.27Å |
| 206 | C | 88.5 | Confident | 86.3 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | trans | -120.4 | 119.6 | 177.3 | -176 | 0 | 0 | 0 | 0 | 111 | D197 H208 S209 F210 C326 | D197-C206 WeakPolarHBondContact OD2-CA 3.05Å; D197-C206 WeakPolarHBondContact OD2-CB 3.42Å; D197-C206 PolarHBondContact OD2-N 2.78Å; C206-H208 VanDerWaalsContact C-N 3.27Å; C206-H208 PolarHBondContact O-N 3.1Å; C206-H208 PolarHBondContact SG-N 3.47Å; C206-S209 PolarHBondContact O-N 2.89Å; C206-S209 PolarHBondContact SG-N 2.82Å; C206-S209 VanDerWaalsContact SG-N 3.45Å; C206-F210 PolarHBondContact O-N 3.18Å; C206-C326 HydrophobicContact CB-CB 4.45Å; C206-C326 WeakPolarHBondContact SG-CB 3.21Å; C206-C326 VanDerWaalsContact SG-SG 3.66Å | ||
| 207 | V | 91.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -36.7 | 173.2 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | F210 L211 F287 Y290 A291 T294 | V207-F210 PolarHBondContact O-N 3.33Å; V207-L211 WeakPolarHBondContact O-CG 3.48Å; V207-L211 PolarHBondContact O-N 2.81Å; V207-F287 HydrophobicContact CB-CE2 4.35Å; V207-F287 HydrophobicContact CB-CZ 4.04Å; V207-F287 HydrophobicContact CG2-CZ 4.1Å; V207-Y290 HydrophobicContact CB-CD1 4.32Å; V207-Y290 HydrophobicContact CB-CE1 3.86Å; V207-Y290 HydrophobicContact CG1-CE1 3.77Å; V207-Y290 HydrophobicContact CG2-CD1 4.14Å; V207-Y290 HydrophobicContact CG2-CE1 4.07Å; V207-A291 HydrophobicContact CG2-CB 3.77Å; V207-T294 HydrophobicContact CG1-CG2 3.94Å; V207-T294 HydrophobicContact CG2-CG2 4.27Å |
| 208 | H | 91.9 | Very high | 86.9 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.06 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 179.6 | -57.7 | 93.5 | 0 | 0 | 0 | 111.2 | C206 F210 L211 D212 N298 L328 C329 | C206-H208 VanDerWaalsContact C-N 3.27Å; C206-H208 PolarHBondContact O-N 3.1Å; C206-H208 PolarHBondContact SG-N 3.47Å; H208-F210 PolarHBondContact O-N 3.05Å; H208-L211 CarbonylContact O-C 3.41Å; H208-L211 WeakPolarHBondContact O-CA 3.46Å; H208-L211 WeakPolarHBondContact O-CB 3.02Å; H208-L211 PolarHBondContact O-N 2.85Å; H208-D212 PolarHBondContact O-N 3.14Å; H208-N298 PolarHBondContact CD2-ND2 2.68Å; H208-N298 PolarHBondContact NE2-ND2 3.16Å; H208-L328 HydrophobicContact CB-CD1 4.36Å; H208-L328 WeakPolarHBondContact CE1-CB 3.29Å; H208-C329 PolarHBondContact ND1-SG 2.92Å |
| 209 | S | 92.2 | Very high | 87.4 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -32.9 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | C206 D212 L213 | C206-S209 PolarHBondContact O-N 2.89Å; C206-S209 PolarHBondContact SG-N 2.82Å; C206-S209 VanDerWaalsContact SG-N 3.45Å; S209-D212 PolarHBondContact O-N 2.86Å; S209-L213 PolarHBondContact O-N 2.85Å; S209-L213 VanDerWaalsContact O-N 3.13Å |
| 210 | F | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.2 | -35.5 | 173.9 | -164.8 | -116.8 | 0 | 0 | 0 | 112.7 | Y195 W198 P204 C206 V207 H208 L213 I214 M245 L246 L249 F287 | Y195-F210 HydrophobicContact CE1-CD2 4.37Å; Y195-F210 HydrophobicContact CE2-CD2 4.28Å; Y195-F210 PolarHBondContact OH-N 3.29Å; W198-F210 HydrophobicContact CE3-CE2 4.42Å; W198-F210 HydrophobicContact CZ3-CD2 4.28Å; W198-F210 AromaticContact CZ3-CE2 3.76Å; W198-F210 HydrophobicContact CZ3-CE2 3.76Å; W198-F210 HydrophobicContact CZ3-CZ 4.18Å; P204-F210 HydrophobicContact CB-CB 4.17Å; P204-F210 HydrophobicContact CB-CG 4.42Å; P204-F210 HydrophobicContact CG-CB 4.12Å; P204-F210 HydrophobicContact CG-CD1 4.29Å; P204-F210 HydrophobicContact CG-CD2 3.96Å; P204-F210 HydrophobicContact CG-CE2 4.46Å; P204-F210 HydrophobicContact CG-CG 3.87Å; C206-F210 PolarHBondContact O-N 3.18Å; V207-F210 PolarHBondContact O-N 3.33Å; H208-F210 PolarHBondContact O-N 3.05Å; F210-L213 HydrophobicContact CD2-CD2 4.31Å; F210-L213 HydrophobicContact CE2-CD2 4.24Å; F210-L213 PolarHBondContact O-N 3.41Å; F210-I214 PolarHBondContact O-N 3.43Å; F210-M245 HydrophobicContact CD1-CE 3.98Å; F210-M245 HydrophobicContact CE1-CE 3.32Å; F210-M245 HydrophobicContact CE2-CE 4.17Å; F210-M245 HydrophobicContact CZ-CE 3.42Å; F210-M245 VanDerWaalsContact CZ-CE 3.42Å; F210-L246 HydrophobicContact CE1-CD1 4.37Å; F210-L246 HydrophobicContact CE2-CB 4.3Å; F210-L246 HydrophobicContact CE2-CD1 3.91Å; F210-L246 HydrophobicContact CZ-CB 3.78Å; F210-L246 HydrophobicContact CZ-CD1 3.72Å; F210-L246 HydrophobicContact CZ-CG 4.34Å; F210-L249 HydrophobicContact CD1-CD2 3.62Å; F210-L249 HydrophobicContact CE1-CB 4.49Å; F210-L249 HydrophobicContact CE1-CD2 3.61Å; F210-F287 HydrophobicContact CD1-CE1 4.14Å |
| 211 | L | 95.5 | Very high | 90.1 | Very high | 19 Ų | 19 | 27.5 Ų | 27.5 | 10% | 0.099 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 171.2 | -67.6 | 173.7 | 0 | 0 | 0 | 111.7 | V207 H208 L213 I214 E215 L249 I253 T294 Y295 | V207-L211 WeakPolarHBondContact O-CG 3.48Å; V207-L211 PolarHBondContact O-N 2.81Å; H208-L211 CarbonylContact O-C 3.41Å; H208-L211 WeakPolarHBondContact O-CA 3.46Å; H208-L211 WeakPolarHBondContact O-CB 3.02Å; H208-L211 PolarHBondContact O-N 2.85Å; L211-L213 VanDerWaalsContact C-N 3.26Å; L211-L213 PolarHBondContact O-N 3.4Å; L211-I214 WeakPolarHBondContact O-CA 3.46Å; L211-I214 WeakPolarHBondContact O-CB 3.14Å; L211-I214 PolarHBondContact O-N 2.94Å; L211-E215 PolarHBondContact O-N 3.24Å; L211-L249 HydrophobicContact CD2-CD2 4.03Å; L211-I253 HydrophobicContact CD2-CD1 3.83Å; L211-T294 HydrophobicContact CD1-CG2 4.27Å; L211-Y295 HydrophobicContact CD2-CD2 4.19Å |
| 212 | D | 94.5 | Very high | 91.6 | Very high | 81 Ų | 81 | 32.5 Ų | 32.5 | 43% | 0.433 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.3 | -36.8 | 175.2 | -61.3 | -22.1 | 0 | 0 | 0 | 111.3 | H208 S209 I214 E215 Y216 | H208-D212 PolarHBondContact O-N 3.14Å; S209-D212 PolarHBondContact O-N 2.86Å; D212-I214 VanDerWaalsContact C-N 3.35Å; D212-E215 PolarHBondContact O-N 2.78Å; D212-Y216 VanDerWaalsContact O-CB 3.31Å; D212-Y216 WeakPolarHBondContact O-CB 3.38Å; D212-Y216 PolarHBondContact O-N 2.87Å |
| 213 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 172 | 165.2 | 61.6 | 0 | 0 | 0 | 111.5 | V127 L129 Y193 Y195 S209 F210 L211 Y216 M217 L246 | V127-L213 HydrophobicContact CG1-CD1 3.91Å; V127-L213 HydrophobicContact CG1-CD2 4.04Å; V127-L213 HydrophobicContact CG2-CD1 4.49Å; L129-L213 HydrophobicContact CD2-CD2 3.88Å; Y193-L213 HydrophobicContact CD1-CD1 3.66Å; Y193-L213 HydrophobicContact CD2-CD1 4.21Å; Y193-L213 HydrophobicContact CE1-CB 4.44Å; Y193-L213 HydrophobicContact CE1-CD1 3.57Å; Y193-L213 HydrophobicContact CE1-CG 4.4Å; Y193-L213 HydrophobicContact CE2-CD1 4.07Å; Y193-L213 HydrophobicContact CG-CD1 4Å; Y195-L213 HydrophobicContact CD2-CB 4.21Å; Y195-L213 HydrophobicContact CD2-CD2 3.82Å; Y195-L213 HydrophobicContact CE2-CB 4.37Å; Y195-L213 HydrophobicContact CE2-CD2 4.43Å; Y195-L213 HydrophobicContact CG-CD2 4.25Å; S209-L213 PolarHBondContact O-N 2.85Å; S209-L213 VanDerWaalsContact O-N 3.13Å; F210-L213 HydrophobicContact CD2-CD2 4.31Å; F210-L213 HydrophobicContact CE2-CD2 4.24Å; F210-L213 PolarHBondContact O-N 3.41Å; L211-L213 VanDerWaalsContact C-N 3.26Å; L211-L213 PolarHBondContact O-N 3.4Å; L213-Y216 WeakPolarHBondContact O-CB 3.39Å; L213-Y216 PolarHBondContact O-N 2.69Å; L213-M217 HydrophobicContact CD1-CG 4.06Å; L213-M217 HydrophobicContact CD1-SD 4.01Å; L213-M217 HydrophobicContact CG-SD 4.15Å; L213-M217 VanDerWaalsContact O-CG 3.27Å; L213-M217 WeakPolarHBondContact O-CG 3.27Å; L213-M217 PolarHBondContact O-N 2.93Å; L213-L246 HydrophobicContact CD2-CD1 3.93Å; L213-L246 HydrophobicContact CD2-CD2 3.9Å; L213-L246 HydrophobicContact CG-CD1 4.19Å |
| 214 | I | 96.7 | Very high | 92 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 177.3 | -67.4 | 174.3 | 0 | 0 | 0 | 110.3 | F210 L211 D212 Y216 M217 E218 L246 L249 R250 I253 | F210-I214 PolarHBondContact O-N 3.43Å; L211-I214 WeakPolarHBondContact O-CA 3.46Å; L211-I214 WeakPolarHBondContact O-CB 3.14Å; L211-I214 PolarHBondContact O-N 2.94Å; D212-I214 VanDerWaalsContact C-N 3.35Å; I214-Y216 VanDerWaalsContact C-N 3.32Å; I214-Y216 PolarHBondContact O-N 3.46Å; I214-M217 WeakPolarHBondContact O-CB 3.39Å; I214-M217 PolarHBondContact O-N 2.93Å; I214-E218 WeakPolarHBondContact O-CG 3.49Å; I214-E218 PolarHBondContact O-N 3.17Å; I214-L246 HydrophobicContact CD1-CD1 4.15Å; I214-L246 HydrophobicContact CG1-CD1 3.6Å; I214-L249 HydrophobicContact CD1-CB 3.87Å; I214-L249 HydrophobicContact CD1-CD2 3.58Å; I214-L249 HydrophobicContact CD1-CG 3.53Å; I214-R250 HydrophobicContact CD1-CB 4.37Å; I214-R250 HydrophobicContact CG1-CB 4.5Å; I214-R250 HydrophobicContact CG2-CB 4.21Å; I214-R250 HydrophobicContact CG2-CG 4.1Å; I214-I253 HydrophobicContact CD1-CD1 3.88Å; I214-I253 HydrophobicContact CG2-CD1 4.17Å |
| 215 | E | 94.7 | Very high | 91.5 | Very high | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 176.7 | -176.5 | 175.1 | -174.9 | 0 | 0 | 111.8 | L211 D212 M217 E218 N219 | L211-E215 PolarHBondContact O-N 3.24Å; D212-E215 PolarHBondContact O-N 2.78Å; E215-M217 PolarHBondContact O-N 2.98Å; E215-E218 PolarHBondContact O-N 3.41Å; E215-N219 PolarHBondContact O-N 3.15Å; E215-N219 PolarHBondContact O-ND2 3.48Å |
| 216 | Y | 94.6 | Very high | 91.2 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 11% | 0.106 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57 | -49.4 | 173 | 178.7 | -88.2 | 0 | 0 | 0 | 111.4 | L125 L174 M191 Y193 D212 L213 I214 E218 N219 E220 | L125-Y216 HydrophobicContact CD1-CE1 4.25Å; L174-Y216 WeakPolarHBondContact CD1-OH 3.27Å; L174-Y216 HydrophobicContact CD2-CE2 4.06Å; L174-Y216 WeakPolarHBondContact CD2-OH 3.49Å; M191-Y216 WeakPolarHBondContact CE-OH 3.37Å; Y193-Y216 AromaticContact CD2-CD1 3.47Å; Y193-Y216 HydrophobicContact CD2-CD1 3.47Å; Y193-Y216 VanDerWaalsContact CD2-CD1 3.47Å; Y193-Y216 HydrophobicContact CD2-CD2 4.48Å; Y193-Y216 AromaticContact CD2-CE1 3.5Å; Y193-Y216 HydrophobicContact CD2-CE1 3.5Å; Y193-Y216 VanDerWaalsContact CD2-CE1 3.5Å; Y193-Y216 HydrophobicContact CD2-CE2 4.48Å; Y193-Y216 AromaticContact CD2-CG 4Å; Y193-Y216 HydrophobicContact CD2-CG 4Å; Y193-Y216 AromaticContact CE2-CD1 3.73Å; Y193-Y216 HydrophobicContact CE2-CD1 3.73Å; Y193-Y216 HydrophobicContact CE2-CD2 4.24Å; Y193-Y216 HydrophobicContact CE2-CE1 4.15Å; Y193-Y216 AromaticContact CE2-CG 3.79Å; Y193-Y216 HydrophobicContact CE2-CG 3.79Å; Y193-Y216 HydrophobicContact CG-CD1 4.5Å; Y193-Y216 HydrophobicContact CG-CE1 4.44Å; D212-Y216 VanDerWaalsContact O-CB 3.31Å; D212-Y216 WeakPolarHBondContact O-CB 3.38Å; D212-Y216 PolarHBondContact O-N 2.87Å; L213-Y216 WeakPolarHBondContact O-CB 3.39Å; L213-Y216 PolarHBondContact O-N 2.69Å; I214-Y216 VanDerWaalsContact C-N 3.32Å; I214-Y216 PolarHBondContact O-N 3.46Å; Y216-E218 VanDerWaalsContact C-N 3.33Å; Y216-E218 PolarHBondContact O-N 3.06Å; Y216-N219 PolarHBondContact O-N 3.17Å; Y216-E220 HydrophobicContact CD1-CG 4.03Å; Y216-E220 HydrophobicContact CE1-CG 3.47Å; Y216-E220 VanDerWaalsContact CE1-CG 3.47Å; Y216-E220 HydrophobicContact CE2-CG 4.21Å; Y216-E220 WeakPolarHBondContact O-CG 3.38Å; Y216-E220 PolarHBondContact O-N 2.82Å |
| 217 | M | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 177.3 | -71.1 | 168.9 | 63.2 | 0 | 0 | 111.6 | F96 L125 V127 L213 I214 E215 N219 E220 I221 V232 I234 L246 | F96-M217 HydrophobicContact CE1-CE 4.08Å; L125-M217 HydrophobicContact CD2-CG 4.03Å; V127-M217 HydrophobicContact CG2-CE 4.47Å; V127-M217 HydrophobicContact CG2-CG 4.17Å; V127-M217 HydrophobicContact CG2-SD 4.05Å; L213-M217 HydrophobicContact CD1-CG 4.06Å; L213-M217 HydrophobicContact CD1-SD 4.01Å; L213-M217 HydrophobicContact CG-SD 4.15Å; L213-M217 VanDerWaalsContact O-CG 3.27Å; L213-M217 WeakPolarHBondContact O-CG 3.27Å; L213-M217 PolarHBondContact O-N 2.93Å; I214-M217 WeakPolarHBondContact O-CB 3.39Å; I214-M217 PolarHBondContact O-N 2.93Å; E215-M217 PolarHBondContact O-N 2.98Å; M217-N219 PolarHBondContact O-N 3.45Å; M217-E220 PolarHBondContact O-N 3.5Å; M217-I221 HydrophobicContact CB-CD1 4.47Å; M217-I221 WeakPolarHBondContact O-CB 2.93Å; M217-I221 VanDerWaalsContact O-CD1 3.27Å; M217-I221 WeakPolarHBondContact O-CD1 3.4Å; M217-I221 WeakPolarHBondContact O-CG1 3.46Å; M217-I221 PolarHBondContact O-N 3.03Å; M217-V232 HydrophobicContact CE-CG1 4.17Å; M217-I234 HydrophobicContact CE-CD1 4.05Å; M217-L246 HydrophobicContact CE-CD2 4.35Å; M217-L246 HydrophobicContact SD-CD1 4.07Å; M217-L246 HydrophobicContact SD-CD2 3.82Å; M217-L246 HydrophobicContact SD-CG 4.17Å |
| 218 | E | 92.9 | Very high | 90.2 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.6 | -67.1 | -48.9 | 144.6 | 0 | 0 | 112.6 | I214 E215 Y216 I221 R222 R250 | I214-E218 WeakPolarHBondContact O-CG 3.49Å; I214-E218 PolarHBondContact O-N 3.17Å; E215-E218 PolarHBondContact O-N 3.41Å; Y216-E218 VanDerWaalsContact C-N 3.33Å; Y216-E218 PolarHBondContact O-N 3.06Å; E218-I221 PolarHBondContact O-N 3.47Å; E218-R222 WeakPolarHBondContact O-CB 3.36Å; E218-R222 VanDerWaalsContact O-CG 3.31Å; E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 3.3Å; E218-R250 WeakPolarHBondContact OE1-CD 3.45Å; E218-R250 WeakPolarHBondContact OE1-CG 3.44Å; E218-R250 IonicContact OE1-CZ 2.66Å; E218-R250 IonicContact OE1-NE 3.16Å; E218-R250 PolarHBondContact OE1-NE 2.79Å; E218-R250 IonicContact OE1-NH1 2.63Å; E218-R250 IonicContact OE1-NH2 3.16Å; E218-R250 PolarHBondContact OE1-NH2 3.49Å; E218-R250 IonicContact OE2-CZ 2.75Å; E218-R250 IonicContact OE2-NH2 2.68Å; E218-R250 PolarHBondContact OE2-NH2 3.1Å |
| 219 | N | 93.6 | Very high | 89.8 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 177.7 | -74.2 | -31.1 | 0 | 0 | 0 | 111.2 | E215 Y216 M217 R222 N223 | E215-N219 PolarHBondContact O-N 3.15Å; E215-N219 PolarHBondContact O-ND2 3.48Å; Y216-N219 PolarHBondContact O-N 3.17Å; M217-N219 PolarHBondContact O-N 3.45Å; N219-R222 PolarHBondContact O-N 3.49Å; N219-R222 PolarHBondContact OD1-NH2 2.96Å; N219-N223 VanDerWaalsContact O-CG 3.25Å; N219-N223 PolarHBondContact O-N 3.48Å; N219-N223 VanDerWaalsContact O-N 3.11Å; N219-N223 PolarHBondContact O-ND2 3.17Å; N219-N223 VanDerWaalsContact O-ND2 3.15Å |
| 220 | E | 91.8 | Very high | 89.7 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -47 | 177.8 | -66.9 | -49.9 | 137.8 | 0 | 0 | 111.9 | L125 M191 Y216 M217 R222 N223 I224 | L125-E220 HydrophobicContact CD2-CB 4.43Å; M191-E220 HydrophobicContact CE-CG 3.93Å; M191-E220 WeakPolarHBondContact CE-OE2 3.44Å; M191-E220 VanDerWaalsContact SD-OE2 3.38Å; Y216-E220 HydrophobicContact CD1-CG 4.03Å; Y216-E220 HydrophobicContact CE1-CG 3.47Å; Y216-E220 VanDerWaalsContact CE1-CG 3.47Å; Y216-E220 HydrophobicContact CE2-CG 4.21Å; Y216-E220 WeakPolarHBondContact O-CG 3.38Å; Y216-E220 PolarHBondContact O-N 2.82Å; M217-E220 PolarHBondContact O-N 3.5Å; E220-R222 VanDerWaalsContact C-N 3.29Å; E220-R222 PolarHBondContact O-N 3.37Å; E220-N223 PolarHBondContact O-N 3.45Å; E220-N223 VanDerWaalsContact O-N 3.1Å; E220-I224 WeakPolarHBondContact O-CD1 3.48Å; E220-I224 VanDerWaalsContact O-CG1 3.25Å; E220-I224 WeakPolarHBondContact O-CG1 3.43Å; E220-I224 PolarHBondContact O-N 3.39Å; E220-I224 VanDerWaalsContact O-N 3.11Å |
| 221 | I | 91.1 | Very high | 89.6 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.1 | -42.6 | 177.9 | -70 | 161.2 | 0 | 0 | 0 | 111.3 | C94 M217 E218 N223 I224 P230 V232 | C94-I221 HydrophobicContact CB-CD1 3.79Å; C94-I221 HydrophobicContact CB-CG1 4.06Å; C94-I221 HydrophobicContact CB-CG2 4.19Å; C94-I221 WeakPolarHBondContact SG-CD1 3.34Å; M217-I221 HydrophobicContact CB-CD1 4.47Å; M217-I221 WeakPolarHBondContact O-CB 2.93Å; M217-I221 VanDerWaalsContact O-CD1 3.27Å; M217-I221 WeakPolarHBondContact O-CD1 3.4Å; M217-I221 WeakPolarHBondContact O-CG1 3.46Å; M217-I221 PolarHBondContact O-N 3.03Å; E218-I221 PolarHBondContact O-N 3.47Å; I221-N223 VanDerWaalsContact C-N 3.33Å; I221-N223 PolarHBondContact O-N 3.37Å; I221-I224 PolarHBondContact O-N 2.98Å; I221-P230 HydrophobicContact CG2-CG 3.88Å; I221-V232 HydrophobicContact CD1-CG2 4.01Å; I221-V232 HydrophobicContact CG1-CG2 4.01Å |
| 222 | R | 89.9 | Confident | 89.6 | Confident | 172 Ų | 172 | 56.5 Ų | 56.5 | 65% | 0.649 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.1 | -32.1 | 178.2 | -76.2 | -171.5 | -65.7 | -141 | 4 | 113.5 | E218 N219 E220 | E218-R222 WeakPolarHBondContact O-CB 3.36Å; E218-R222 VanDerWaalsContact O-CG 3.31Å; E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 3.3Å; N219-R222 PolarHBondContact O-N 3.49Å; N219-R222 PolarHBondContact OD1-NH2 2.96Å; E220-R222 VanDerWaalsContact C-N 3.29Å; E220-R222 PolarHBondContact O-N 3.37Å |
| 223 | N | 89.1 | Confident | 89.8 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -83.2 | -14.9 | -178.4 | -69.1 | -26.4 | 0 | 0 | 0 | 113 | N219 E220 I221 Q225 | N219-N223 VanDerWaalsContact O-CG 3.25Å; N219-N223 PolarHBondContact O-N 3.48Å; N219-N223 VanDerWaalsContact O-N 3.11Å; N219-N223 PolarHBondContact O-ND2 3.17Å; N219-N223 VanDerWaalsContact O-ND2 3.15Å; E220-N223 PolarHBondContact O-N 3.45Å; E220-N223 VanDerWaalsContact O-N 3.1Å; I221-N223 VanDerWaalsContact C-N 3.33Å; I221-N223 PolarHBondContact O-N 3.37Å; N223-Q225 PolarHBondContact O-N 3.03Å |
| 224 | I | 82.9 | Confident | 89.9 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 21% | 0.205 | 26% | 0.26 | C | S | . | . | trans | -73.9 | 110.1 | 177.8 | -69.8 | 156.4 | 0 | 0 | 0 | 110.1 | T124 E220 I221 L226 P230 | T124-I224 HydrophobicContact CG2-CD1 4.26Å; T124-I224 HydrophobicContact CG2-CG2 4.27Å; T124-I224 WeakPolarHBondContact OG1-CD1 3.41Å; E220-I224 WeakPolarHBondContact O-CD1 3.48Å; E220-I224 VanDerWaalsContact O-CG1 3.25Å; E220-I224 WeakPolarHBondContact O-CG1 3.43Å; E220-I224 PolarHBondContact O-N 3.39Å; E220-I224 VanDerWaalsContact O-N 3.11Å; I221-I224 PolarHBondContact O-N 2.98Å; I224-L226 HydrophobicContact CG2-CB 4.14Å; I224-L226 HydrophobicContact CG2-CD1 3.57Å; I224-L226 HydrophobicContact CG2-CG 3.52Å; I224-L226 PolarHBondContact O-N 3.34Å; I224-P230 HydrophobicContact CB-CB 4.38Å; I224-P230 HydrophobicContact CD1-CB 4.05Å; I224-P230 HydrophobicContact CG2-CB 3.95Å | ||
| 225 | Q | 78.4 | Confident | 89.9 | Confident | 192 Ų | 192 | 52.4 Ų | 52.4 | 90% | 0.897 | 26% | 0.259 | S | S | * | . | trans | -90.3 | 81.8 | 174.1 | -62.2 | 179.1 | 7.4 | 0 | 0 | 109.9 | N223 | N223-Q225 PolarHBondContact O-N 3.03Š| ||
| 226 | L | 78.3 | Confident | 89.9 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | trans | -114 | 149 | 171 | -71 | 175 | 0 | 0 | 0 | 110 | T124 I224 T228 | T124-L226 HydrophobicContact CG2-CD1 4.02Å; I224-L226 HydrophobicContact CG2-CB 4.14Å; I224-L226 HydrophobicContact CG2-CD1 3.57Å; I224-L226 HydrophobicContact CG2-CG 3.52Å; I224-L226 PolarHBondContact O-N 3.34Å; L226-T228 WeakPolarHBondContact CB-O 3.43Å; L226-T228 PolarHBondContact O-N 2.9Å | ||
| 227 | P | 78.8 | Confident | 89.8 | Confident | 134 Ų | 134 | 48.6 Ų | 48.6 | 87% | 0.87 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -65 | -16.8 | 174.2 | 28 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 228 | T | 81.3 | Confident | 89.7 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -122.1 | 166.1 | -178.7 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | Q120 L226 | Q120-T228 HydrophobicContact CB-CG2 3.68Å; Q120-T228 PolarHBondContact O-OG1 3.01Å; L226-T228 WeakPolarHBondContact CB-O 3.43Å; L226-T228 PolarHBondContact O-N 2.9Å |
| 229 | K | 84.6 | Confident | 89.8 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | trans | -59.9 | 127.2 | 176.4 | -160.1 | -178.3 | -171.7 | -164.4 | 0 | 110.1 | A92 S93 C94 N95 | A92-K229 WeakPolarHBondContact O-CE 3.49Å; A92-K229 PolarHBondContact O-NZ 3.37Å; S93-K229 WeakPolarHBondContact O-CE 3.24Å; S93-K229 WeakPolarHBondContact O-CG 3.39Å; C94-K229 VanDerWaalsContact N-CE 3.3Å; C94-K229 WeakPolarHBondContact O-CE 3.5Å; C94-K229 PolarHBondContact O-NZ 3.01Å; N95-K229 WeakPolarHBondContact OD1-CD 3.47Å; N95-K229 PolarHBondContact OD1-NZ 2.88Å | ||
| 230 | P | 89.3 | Confident | 89.9 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.078 | 23% | 0.226 | C | C | . | . | trans | -66.5 | 150.6 | -179.5 | 26.4 | -33.7 | 0 | 0 | 0 | 111.6 | C94 N95 I221 I224 | C94-P230 CarbonylContact C-O 3.34Å; C94-P230 WeakPolarHBondContact CA-O 3.29Å; C94-P230 HydrophobicContact CB-CG 4.15Å; C94-P230 VanDerWaalsContact CB-O 3.27Å; C94-P230 WeakPolarHBondContact CB-O 3.38Å; N95-P230 PolarHBondContact N-O 3.43Å; I221-P230 HydrophobicContact CG2-CG 3.88Å; I224-P230 HydrophobicContact CB-CB 4.38Å; I224-P230 HydrophobicContact CD1-CB 4.05Å; I224-P230 HydrophobicContact CG2-CB 3.95Å | ||
| 231 | T | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.3 | 174.2 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | W86 N95 I97 E121 V123 T124 | W86-T231 HydrophobicContact CH2-CG2 3.93Å; W86-T231 HydrophobicContact CZ3-CG2 3.7Å; N95-T231 WeakPolarHBondContact O-CA 3.44Å; I97-T231 HydrophobicContact CD1-CG2 3.78Å; I97-T231 HydrophobicContact CG1-CG2 3.78Å; E121-T231 WeakPolarHBondContact CB-OG1 3.4Å; E121-T231 PolarHBondContact O-OG1 3.12Å; V123-T231 HydrophobicContact CG2-CG2 3.89Å; T124-T231 PolarHBondContact N-O 3.21Å |
| 232 | V | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.1 | 170.1 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | C94 N95 F96 I97 L125 V127 M217 I221 I234 | C94-V232 HydrophobicContact CB-CG2 4.16Å; N95-V232 PolarHBondContact O-N 2.99Å; F96-V232 VanDerWaalsContact CA-O 3.29Å; F96-V232 WeakPolarHBondContact CA-O 3.38Å; F96-V232 HydrophobicContact CD1-CB 4.12Å; F96-V232 HydrophobicContact CE1-CB 4.33Å; I97-V232 PolarHBondContact N-O 2.98Å; L125-V232 HydrophobicContact CB-CG1 4.22Å; L125-V232 HydrophobicContact CB-CG2 4.38Å; L125-V232 HydrophobicContact CD2-CG1 4.03Å; L125-V232 HydrophobicContact CD2-CG2 4.39Å; L125-V232 HydrophobicContact CG-CG1 4.06Å; V127-V232 HydrophobicContact CG2-CG1 4Å; M217-V232 HydrophobicContact CE-CG1 4.17Å; I221-V232 HydrophobicContact CD1-CG2 4.01Å; I221-V232 HydrophobicContact CG1-CG2 4.01Å; V232-I234 HydrophobicContact CG1-CG1 3.99Å |
| 233 | L | 97.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.4 | 172.7 | -176.1 | 158.9 | 0 | 0 | 0 | 108.8 | I97 T99 F110 M113 V114 V123 L125 I126 V127 H235 | I97-L233 HydrophobicContact CB-CB 4.39Å; I97-L233 HydrophobicContact CB-CG 4.27Å; I97-L233 HydrophobicContact CG2-CD1 4.42Å; I97-L233 HydrophobicContact CG2-CG 4.29Å; I97-L233 WeakPolarHBondContact O-CA 3.49Å; T99-L233 HydrophobicContact CG2-CD1 4.47Å; T99-L233 HydrophobicContact CG2-CD2 3.87Å; T99-L233 HydrophobicContact CG2-CG 4.24Å; F110-L233 HydrophobicContact CE2-CD1 3.82Å; F110-L233 HydrophobicContact CE2-CD2 3.72Å; F110-L233 HydrophobicContact CE2-CG 4.45Å; F110-L233 HydrophobicContact CZ-CD1 3.95Å; F110-L233 HydrophobicContact CZ-CD2 3.8Å; M113-L233 HydrophobicContact CE-CD1 3.44Å; M113-L233 VanDerWaalsContact CE-CD1 3.44Å; V114-L233 HydrophobicContact CG2-CD1 3.86Å; V123-L233 HydrophobicContact CG1-CB 3.8Å; L125-L233 PolarHBondContact O-N 3.02Å; I126-L233 CarbonylContact C-O 3.59Å; I126-L233 WeakPolarHBondContact CA-O 3.44Å; I126-L233 HydrophobicContact CG1-CB 4.3Å; I126-L233 HydrophobicContact CG1-CD2 4.42Å; I126-L233 HydrophobicContact CG2-CD2 4.01Å; V127-L233 PolarHBondContact N-O 3.1Å; L233-H235 HydrophobicContact CD2-CB 4.43Å |
| 234 | I | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127 | 177.8 | -52.5 | 169.3 | 0 | 0 | 0 | 108.3 | F96 I97 L98 T99 V127 L129 M217 V232 L246 V247 | F96-I234 HydrophobicContact CD1-CD1 3.56Å; F96-I234 HydrophobicContact CD1-CG1 4.38Å; F96-I234 HydrophobicContact CE1-CD1 3.94Å; F96-I234 HydrophobicContact CG-CD1 4.5Å; I97-I234 PolarHBondContact O-N 3.44Å; L98-I234 WeakPolarHBondContact CA-O 3.46Å; L98-I234 HydrophobicContact CD2-CB 3.7Å; L98-I234 HydrophobicContact CD2-CD1 4.2Å; L98-I234 HydrophobicContact CD2-CG1 4.36Å; L98-I234 HydrophobicContact CD2-CG2 4.37Å; T99-I234 PolarHBondContact N-O 3.19Å; V127-I234 HydrophobicContact CB-CG1 4.15Å; V127-I234 HydrophobicContact CB-CG2 4.34Å; V127-I234 HydrophobicContact CG2-CG1 4.45Å; V127-I234 WeakPolarHBondContact O-CA 3.26Å; L129-I234 HydrophobicContact CD1-CG2 3.97Å; L129-I234 HydrophobicContact CG-CG2 4.41Å; M217-I234 HydrophobicContact CE-CD1 4.05Å; V232-I234 HydrophobicContact CG1-CG1 3.99Å; I234-L246 HydrophobicContact CD1-CD2 4.04Å; I234-L246 HydrophobicContact CD1-CG 4.45Å; I234-L246 HydrophobicContact CG2-CD2 3.99Å; I234-V247 HydrophobicContact CD1-CG2 3.56Å |
| 235 | H | 97.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.4 | 172.3 | 80.6 | 91.7 | 0 | 0 | 0 | 112.2 | T99 V127 C128 L129 S130 Y143 L233 | T99-H235 HydrophobicContact CG2-CB 3.65Å; T99-H235 VanDerWaalsContact O-CA 3.27Å; T99-H235 WeakPolarHBondContact O-CA 3.2Å; T99-H235 WeakPolarHBondContact O-CB 3.18Å; V127-H235 PolarHBondContact O-N 3.36Å; C128-H235 WeakPolarHBondContact CB-NE2 3.37Å; C128-H235 PolarHBondContact SG-CE1 2.88Å; C128-H235 PolarHBondContact SG-NE2 2.92Å; L129-H235 WeakPolarHBondContact CB-O 3.33Å; L129-H235 PolarHBondContact N-O 2.99Å; S130-H235 PolarHBondContact OG-ND1 2.83Å; S130-H235 VanDerWaalsContact OG-ND1 3.16Å; Y143-H235 AromaticContact CE1-CE1 3.73Å; Y143-H235 AromaticContact CE1-NE2 3.46Å; Y143-H235 WeakPolarHBondContact CE1-NE2 3.2Å; Y143-H235 AromaticContact CZ-NE2 3.43Å; Y143-H235 PolarHBondContact OH-NE2 2.75Å; L233-H235 HydrophobicContact CD2-CB 4.43Å |
| 236 | C | 94.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | -168.9 | 166.1 | 72.8 | 0 | 0 | 0 | 0 | 106.7 | Q100 A101 L129 S130 T238 G239 R242 S243 | Q100-C236 CarbonylContact C-O 3.53Å; A101-C236 PolarHBondContact N-O 3.25Å; L129-C236 HydrophobicContact CB-CB 3.92Å; S130-C236 WeakPolarHBondContact OG-CA 3.4Å; S130-C236 PolarHBondContact OG-O 3.42Å; C236-T238 VanDerWaalsContact C-N 3.35Å; C236-T238 PolarHBondContact O-N 3.34Å; C236-G239 PolarHBondContact O-N 3.44Å; C236-G239 PolarHBondContact SG-N 3.12Å; C236-R242 HydrophobicContact CB-CB 3.72Å; C236-R242 HydrophobicContact CB-CG 4.09Å; C236-S243 WeakPolarHBondContact CB-OG 3.33Å; C236-S243 PolarHBondContact N-OG 2.93Å; C236-S243 VanDerWaalsContact N-OG 3.17Å; C236-S243 PolarHBondContact SG-OG 2.96Å; C236-S243 VanDerWaalsContact SG-OG 3.34Å |
| 237 | T | 92 | Very high | 93.4 | Very high | 50 Ų | 50 | 16.7 Ų | 16.7 | 31% | 0.307 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -49.6 | -52.3 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 113 | Y59 A101 S130 | Y59-T237 HydrophobicContact CE2-CG2 3.64Å; Y59-T237 WeakPolarHBondContact CE2-O 3.39Å; Y59-T237 WeakPolarHBondContact OH-CG2 3.24Å; A101-T237 PolarHBondContact N-O 3.21Å; S130-T237 PolarHBondContact OG-N 2.79Å |
| 238 | T | 93.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 10.3 Ų | 10.3 | 10% | 0.104 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -101.3 | -12.1 | 179.9 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | Y59 V62 C236 A240 R275 L280 | Y59-T238 HydrophobicContact CD1-CG2 4.19Å; Y59-T238 HydrophobicContact CD2-CG2 3.65Å; Y59-T238 HydrophobicContact CE1-CG2 4.48Å; Y59-T238 HydrophobicContact CE2-CG2 3.95Å; Y59-T238 HydrophobicContact CG-CG2 3.79Å; V62-T238 HydrophobicContact CG2-CG2 4.27Å; C236-T238 VanDerWaalsContact C-N 3.35Å; C236-T238 PolarHBondContact O-N 3.34Å; T238-A240 PolarHBondContact O-N 2.94Å; T238-A240 PolarHBondContact OG1-N 3.12Å; T238-R275 PolarHBondContact O-NH2 3.14Å; T238-L280 HydrophobicContact CG2-CD1 4.21Å; T238-L280 WeakPolarHBondContact OG1-CD1 3.32Å |
| 239 | G | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | S | Bend | trans | 69.1 | 12.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T99 C236 R275 | T99-G239 VanDerWaalsContact C-CA 3.47Å; T99-G239 WeakPolarHBondContact O-CA 3.03Å; C236-G239 PolarHBondContact O-N 3.44Å; C236-G239 PolarHBondContact SG-N 3.12Å; G239-R275 PolarHBondContact O-NE 2.84Å; G239-R275 VanDerWaalsContact O-NE 3.12Å |
| 240 | A | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -118.7 | -56 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V62 T238 G244 A278 I279 L280 | V62-A240 HydrophobicContact CG1-CB 3.69Å; V62-A240 HydrophobicContact CG2-CB 4.46Å; T238-A240 PolarHBondContact O-N 2.94Å; T238-A240 PolarHBondContact OG1-N 3.12Å; A240-G244 VanDerWaalsContact O-CA 3.28Å; A240-G244 WeakPolarHBondContact O-CA 3.33Å; A240-G244 PolarHBondContact O-N 3.19Å; A240-A278 WeakPolarHBondContact O-CA 3.24Å; A240-I279 PolarHBondContact O-N 3.07Å; A240-I279 VanDerWaalsContact O-N 3.16Å; A240-L280 HydrophobicContact CB-CD1 4.25Å; A240-L280 HydrophobicContact CB-CG 4.3Å |
| 241 | G | 94.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 6.5 Ų | 6.5 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.5 | -79.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S243 G244 M245 | G241-S243 PolarHBondContact O-N 3.41Å; G241-G244 PolarHBondContact O-N 3.5Å; G241-M245 PolarHBondContact O-N 2.61Å |
| 242 | R | 94.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 6.5 Ų | 6.5 | 15% | 0.147 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | -178.2 | -45.3 | -176.6 | -177.6 | 158.7 | 0.5 | 112.4 | L129 W198 C236 M245 L246 | L129-R242 HydrophobicContact CB-CB 4.14Å; L129-R242 HydrophobicContact CD1-CB 3.9Å; L129-R242 WeakPolarHBondContact O-CD 3.38Å; L129-R242 PolarHBondContact O-NH1 3Å; W198-R242 HydrophobicContact CD2-CG 4.27Å; W198-R242 HydrophobicContact CE3-CB 4.45Å; W198-R242 HydrophobicContact CE3-CG 4.5Å; W198-R242 HydrophobicContact CH2-CB 3.64Å; W198-R242 HydrophobicContact CH2-CG 3.73Å; W198-R242 HydrophobicContact CZ2-CB 3.96Å; W198-R242 HydrophobicContact CZ2-CG 3.49Å; W198-R242 VanDerWaalsContact CZ2-CG 3.49Å; W198-R242 HydrophobicContact CZ3-CB 3.91Å; W198-R242 HydrophobicContact CZ3-CG 4.24Å; C236-R242 HydrophobicContact CB-CB 3.72Å; C236-R242 HydrophobicContact CB-CG 4.09Å; R242-M245 WeakPolarHBondContact O-CB 3.37Å; R242-M245 PolarHBondContact O-N 3.31Å; R242-L246 PolarHBondContact O-N 3.3Å |
| 243 | S | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 179 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | C236 G241 M245 L246 V247 | C236-S243 WeakPolarHBondContact CB-OG 3.33Å; C236-S243 PolarHBondContact N-OG 2.93Å; C236-S243 VanDerWaalsContact N-OG 3.17Å; C236-S243 PolarHBondContact SG-OG 2.96Å; C236-S243 VanDerWaalsContact SG-OG 3.34Å; G241-S243 PolarHBondContact O-N 3.41Å; S243-M245 VanDerWaalsContact C-N 3.33Å; S243-M245 PolarHBondContact O-N 2.91Å; S243-L246 PolarHBondContact O-N 2.96Å; S243-V247 PolarHBondContact O-N 3.2Å; S243-V247 VanDerWaalsContact O-N 3.12Å |
| 244 | G | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A240 G241 L246 V247 A248 | A240-G244 VanDerWaalsContact O-CA 3.28Å; A240-G244 WeakPolarHBondContact O-CA 3.33Å; A240-G244 PolarHBondContact O-N 3.19Å; G241-G244 PolarHBondContact O-N 3.5Å; G244-L246 PolarHBondContact O-N 3.29Å; G244-V247 PolarHBondContact O-N 2.77Å; G244-A248 WeakPolarHBondContact O-CB 3.44Å; G244-A248 PolarHBondContact O-N 3.33Å |
| 245 | M | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.1 | -162.7 | -174.2 | 86.2 | 0 | 0 | 112.2 | W198 P204 F210 G241 R242 S243 A248 L249 I279 Q284 F287 L288 | W198-M245 HydrophobicContact CH2-CE 3.22Å; W198-M245 HydrophobicContact CH2-SD 3.85Å; W198-M245 HydrophobicContact CZ2-CE 4.25Å; W198-M245 HydrophobicContact CZ3-CE 3.6Å; P204-M245 HydrophobicContact CG-CE 3.76Å; F210-M245 HydrophobicContact CD1-CE 3.98Å; F210-M245 HydrophobicContact CE1-CE 3.32Å; F210-M245 HydrophobicContact CE2-CE 4.17Å; F210-M245 HydrophobicContact CZ-CE 3.42Å; F210-M245 VanDerWaalsContact CZ-CE 3.42Å; G241-M245 PolarHBondContact O-N 2.61Å; R242-M245 WeakPolarHBondContact O-CB 3.37Å; R242-M245 PolarHBondContact O-N 3.31Å; S243-M245 VanDerWaalsContact C-N 3.33Å; S243-M245 PolarHBondContact O-N 2.91Å; M245-A248 PolarHBondContact O-N 3.35Å; M245-L249 WeakPolarHBondContact O-CB 3.03Å; M245-L249 PolarHBondContact O-N 3.3Å; M245-I279 HydrophobicContact CB-CG1 4.09Å; M245-Q284 HydrophobicContact SD-CB 4.05Å; M245-Q284 HydrophobicContact SD-CG 4.32Å; M245-F287 HydrophobicContact CE-CD1 3.55Å; M245-F287 HydrophobicContact CE-CE1 3.66Å; M245-F287 HydrophobicContact SD-CD1 3.72Å; M245-F287 HydrophobicContact SD-CE1 4.44Å; M245-L288 HydrophobicContact CG-CB 4.5Å; M245-L288 HydrophobicContact CG-CD1 4.29Å |
| 246 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.2 | -48.9 | 176.5 | 179.7 | 59.6 | 0 | 0 | 0 | 111.8 | V127 L129 F210 L213 I214 M217 I234 R242 S243 G244 A248 L249 R250 | V127-L246 HydrophobicContact CG1-CD2 3.85Å; L129-L246 HydrophobicContact CD1-CB 4.17Å; L129-L246 HydrophobicContact CD1-CD2 4Å; L129-L246 HydrophobicContact CD2-CD2 4.37Å; F210-L246 HydrophobicContact CE1-CD1 4.37Å; F210-L246 HydrophobicContact CE2-CB 4.3Å; F210-L246 HydrophobicContact CE2-CD1 3.91Å; F210-L246 HydrophobicContact CZ-CB 3.78Å; F210-L246 HydrophobicContact CZ-CD1 3.72Å; F210-L246 HydrophobicContact CZ-CG 4.34Å; L213-L246 HydrophobicContact CD2-CD1 3.93Å; L213-L246 HydrophobicContact CD2-CD2 3.9Å; L213-L246 HydrophobicContact CG-CD1 4.19Å; I214-L246 HydrophobicContact CD1-CD1 4.15Å; I214-L246 HydrophobicContact CG1-CD1 3.6Å; M217-L246 HydrophobicContact CE-CD2 4.35Å; M217-L246 HydrophobicContact SD-CD1 4.07Å; M217-L246 HydrophobicContact SD-CD2 3.82Å; M217-L246 HydrophobicContact SD-CG 4.17Å; I234-L246 HydrophobicContact CD1-CD2 4.04Å; I234-L246 HydrophobicContact CD1-CG 4.45Å; I234-L246 HydrophobicContact CG2-CD2 3.99Å; R242-L246 PolarHBondContact O-N 3.3Å; S243-L246 PolarHBondContact O-N 2.96Å; G244-L246 PolarHBondContact O-N 3.29Å; L246-A248 PolarHBondContact O-N 3.12Å; L246-L249 PolarHBondContact O-N 3.21Å; L246-R250 WeakPolarHBondContact O-CB 3.36Å; L246-R250 PolarHBondContact O-N 2.9Å |
| 247 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | V87 L89 F96 L98 I234 S243 G244 S251 I271 | V87-V247 HydrophobicContact CG1-CG1 4.23Å; L89-V247 HydrophobicContact CD1-CG1 3.76Å; F96-V247 HydrophobicContact CB-CG2 4.44Å; F96-V247 HydrophobicContact CD1-CG2 4.01Å; F96-V247 HydrophobicContact CD2-CG1 3.95Å; F96-V247 HydrophobicContact CD2-CG2 4.28Å; F96-V247 HydrophobicContact CE1-CG2 4.32Å; F96-V247 HydrophobicContact CE2-CG1 4.04Å; F96-V247 HydrophobicContact CG-CG1 4.46Å; F96-V247 HydrophobicContact CG-CG2 3.98Å; L98-V247 HydrophobicContact CD1-CG2 4.34Å; L98-V247 HydrophobicContact CD2-CG2 3.83Å; I234-V247 HydrophobicContact CD1-CG2 3.56Å; S243-V247 PolarHBondContact O-N 3.2Å; S243-V247 VanDerWaalsContact O-N 3.12Å; G244-V247 PolarHBondContact O-N 2.77Å; V247-S251 WeakPolarHBondContact O-CB 3.2Å; V247-S251 PolarHBondContact O-N 3.26Å; V247-I271 HydrophobicContact CB-CD1 4.27Å; V247-I271 HydrophobicContact CG1-CD1 3.86Å; V247-I271 HydrophobicContact CG1-CG1 4.24Å |
| 248 | A | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G244 M245 L246 R250 S251 L252 I268 I271 I279 L288 | G244-A248 WeakPolarHBondContact O-CB 3.44Å; G244-A248 PolarHBondContact O-N 3.33Å; M245-A248 PolarHBondContact O-N 3.35Å; L246-A248 PolarHBondContact O-N 3.12Å; A248-R250 PolarHBondContact O-N 3.21Å; A248-S251 PolarHBondContact O-N 3.04Å; A248-L252 WeakPolarHBondContact O-CB 3.34Å; A248-L252 WeakPolarHBondContact O-CD1 3.35Å; A248-L252 VanDerWaalsContact O-CG 3.25Å; A248-L252 WeakPolarHBondContact O-CG 3.13Å; A248-L252 PolarHBondContact O-N 3.5Å; A248-I268 HydrophobicContact CB-CG1 4.33Å; A248-I271 HydrophobicContact CB-CD1 3.67Å; A248-I279 HydrophobicContact CB-CD1 3.95Å; A248-L288 HydrophobicContact CB-CD1 4.19Å; A248-L288 HydrophobicContact CB-CD2 3.85Å |
| 249 | L | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | -179.4 | -175.9 | 55.4 | 0 | 0 | 0 | 111.2 | F210 L211 I214 M245 L246 S251 L252 I253 L288 A291 L292 | F210-L249 HydrophobicContact CD1-CD2 3.62Å; F210-L249 HydrophobicContact CE1-CB 4.49Å; F210-L249 HydrophobicContact CE1-CD2 3.61Å; L211-L249 HydrophobicContact CD2-CD2 4.03Å; I214-L249 HydrophobicContact CD1-CB 3.87Å; I214-L249 HydrophobicContact CD1-CD2 3.58Å; I214-L249 HydrophobicContact CD1-CG 3.53Å; M245-L249 WeakPolarHBondContact O-CB 3.03Å; M245-L249 PolarHBondContact O-N 3.3Å; L246-L249 PolarHBondContact O-N 3.21Å; L249-S251 VanDerWaalsContact C-N 3.33Å; L249-S251 PolarHBondContact O-N 2.91Å; L249-L252 PolarHBondContact O-N 3.39Å; L249-I253 HydrophobicContact CD1-CD1 4.2Å; L249-I253 HydrophobicContact CD1-CG1 4.33Å; L249-I253 HydrophobicContact CG-CD1 3.99Å; L249-I253 WeakPolarHBondContact O-CB 2.89Å; L249-I253 WeakPolarHBondContact O-CG1 3.31Å; L249-I253 PolarHBondContact O-N 3.4Å; L249-L288 HydrophobicContact CB-CD1 3.51Å; L249-L288 HydrophobicContact CD1-CD1 4.04Å; L249-L288 HydrophobicContact CG-CD1 4.29Å; L249-A291 HydrophobicContact CD1-CB 3.98Å; L249-A291 HydrophobicContact CD2-CB 3.58Å; L249-A291 HydrophobicContact CG-CB 4.46Å; L249-L292 HydrophobicContact CD1-CB 4.16Å |
| 250 | R | 97.2 | Very high | 96.4 | Very high | 10 Ų | 10 | 19.4 Ų | 19.4 | 4% | 0.038 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58 | -45.3 | 176.1 | -178.2 | -177.7 | 178.3 | -75.2 | -9.6 | 111.8 | S93 I214 E218 L246 A248 I253 G254 | S93-R250 PolarHBondContact OG-NH2 3.07Å; I214-R250 HydrophobicContact CD1-CB 4.37Å; I214-R250 HydrophobicContact CG1-CB 4.5Å; I214-R250 HydrophobicContact CG2-CB 4.21Å; I214-R250 HydrophobicContact CG2-CG 4.1Å; E218-R250 WeakPolarHBondContact OE1-CD 3.45Å; E218-R250 WeakPolarHBondContact OE1-CG 3.44Å; E218-R250 IonicContact OE1-CZ 2.66Å; E218-R250 IonicContact OE1-NE 3.16Å; E218-R250 PolarHBondContact OE1-NE 2.79Å; E218-R250 IonicContact OE1-NH1 2.63Å; E218-R250 IonicContact OE1-NH2 3.16Å; E218-R250 PolarHBondContact OE1-NH2 3.49Å; E218-R250 IonicContact OE2-CZ 2.75Å; E218-R250 IonicContact OE2-NH2 2.68Å; E218-R250 PolarHBondContact OE2-NH2 3.1Å; L246-R250 WeakPolarHBondContact O-CB 3.36Å; L246-R250 PolarHBondContact O-N 2.9Å; A248-R250 PolarHBondContact O-N 3.21Å; R250-I253 PolarHBondContact O-N 2.86Å; R250-G254 PolarHBondContact O-N 3.42Å |
| 251 | S | 97.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 23.9 Ų | 23.9 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 177.3 | 177 | 0 | 0 | 0 | 0 | 111.9 | V247 A248 L249 I253 G254 I255 | V247-S251 WeakPolarHBondContact O-CB 3.2Å; V247-S251 PolarHBondContact O-N 3.26Å; A248-S251 PolarHBondContact O-N 3.04Å; L249-S251 VanDerWaalsContact C-N 3.33Å; L249-S251 PolarHBondContact O-N 2.91Å; S251-I253 VanDerWaalsContact C-N 3.35Å; S251-I253 PolarHBondContact O-N 2.95Å; S251-G254 PolarHBondContact O-N 2.82Å; S251-G254 VanDerWaalsContact O-N 3.15Å; S251-I255 WeakPolarHBondContact O-CG1 3.27Å; S251-I255 PolarHBondContact O-N 3.46Å |
| 252 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 177.6 | -70.3 | 162.5 | 0 | 0 | 0 | 112.3 | A248 L249 G254 I255 V256 P262 I264 T267 L288 L292 | A248-L252 WeakPolarHBondContact O-CB 3.34Å; A248-L252 WeakPolarHBondContact O-CD1 3.35Å; A248-L252 VanDerWaalsContact O-CG 3.25Å; A248-L252 WeakPolarHBondContact O-CG 3.13Å; A248-L252 PolarHBondContact O-N 3.5Å; L249-L252 PolarHBondContact O-N 3.39Å; L252-G254 VanDerWaalsContact C-N 3.32Å; L252-G254 PolarHBondContact O-N 3.01Å; L252-I255 HydrophobicContact CD2-CD1 4.46Å; L252-I255 PolarHBondContact O-N 3.2Å; L252-V256 PolarHBondContact O-N 3.08Å; L252-P262 HydrophobicContact CD2-CB 3.91Å; L252-I264 HydrophobicContact CD1-CD1 4.03Å; L252-I264 HydrophobicContact CD1-CG1 3.75Å; L252-I264 HydrophobicContact CD2-CG1 3.96Å; L252-T267 HydrophobicContact CD2-CG2 4.41Å; L252-T267 HydrophobicContact CG-CG2 4.18Å; L252-L288 HydrophobicContact CD1-CD1 4.09Å; L252-L288 HydrophobicContact CD1-CD2 3.91Å; L252-L288 HydrophobicContact CD1-CG 3.97Å; L252-L292 HydrophobicContact CB-CD1 4.07Å; L252-L292 HydrophobicContact CB-CD2 3.97Å; L252-L292 HydrophobicContact CD1-CD2 4.36Å; L252-L292 HydrophobicContact CD2-CD2 4.41Å; L252-L292 HydrophobicContact CG-CD2 4.48Å |
| 253 | I | 96.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 172.7 | -75.1 | 169.9 | 0 | 0 | 0 | 110.6 | L211 I214 L249 R250 S251 I255 V256 N257 L292 Y295 | L211-I253 HydrophobicContact CD2-CD1 3.83Å; I214-I253 HydrophobicContact CD1-CD1 3.88Å; I214-I253 HydrophobicContact CG2-CD1 4.17Å; L249-I253 HydrophobicContact CD1-CD1 4.2Å; L249-I253 HydrophobicContact CD1-CG1 4.33Å; L249-I253 HydrophobicContact CG-CD1 3.99Å; L249-I253 WeakPolarHBondContact O-CB 2.89Å; L249-I253 WeakPolarHBondContact O-CG1 3.31Å; L249-I253 PolarHBondContact O-N 3.4Å; R250-I253 PolarHBondContact O-N 2.86Å; S251-I253 VanDerWaalsContact C-N 3.35Å; S251-I253 PolarHBondContact O-N 2.95Å; I253-I255 PolarHBondContact O-N 3.35Å; I253-V256 VanDerWaalsContact O-CG2 3.27Å; I253-V256 WeakPolarHBondContact O-CG2 3.49Å; I253-V256 PolarHBondContact O-N 3.09Å; I253-N257 VanDerWaalsContact O-CB 3.27Å; I253-N257 WeakPolarHBondContact O-CB 3.27Å; I253-N257 PolarHBondContact O-N 2.87Å; I253-N257 PolarHBondContact O-ND2 3.31Å; I253-L292 HydrophobicContact CG1-CD1 4.28Å; I253-Y295 HydrophobicContact CB-CE1 4.46Å; I253-Y295 HydrophobicContact CD1-CD2 3.82Å; I253-Y295 HydrophobicContact CD1-CE2 4.17Å; I253-Y295 HydrophobicContact CD1-CG 4.06Å; I253-Y295 HydrophobicContact CG1-CD1 3.95Å; I253-Y295 HydrophobicContact CG1-CD2 4.04Å; I253-Y295 HydrophobicContact CG1-CE1 4.18Å; I253-Y295 HydrophobicContact CG1-CE2 4.25Å; I253-Y295 HydrophobicContact CG1-CG 3.88Å; I253-Y295 HydrophobicContact CG2-CD2 4.45Å; I253-Y295 HydrophobicContact CG2-CE1 3.9Å; I253-Y295 HydrophobicContact CG2-CE2 3.8Å |
| 254 | G | 95 | Very high | 96.7 | Very high | 38 Ų | 38 | 25.3 Ų | 25.3 | 39% | 0.392 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | R250 S251 L252 N257 A258 | R250-G254 PolarHBondContact O-N 3.42Å; S251-G254 PolarHBondContact O-N 2.82Å; S251-G254 VanDerWaalsContact O-N 3.15Å; L252-G254 VanDerWaalsContact C-N 3.32Å; L252-G254 PolarHBondContact O-N 3.01Å; G254-N257 PolarHBondContact O-N 2.66Å; G254-A258 WeakPolarHBondContact O-CB 3.44Å; G254-A258 PolarHBondContact O-N 3.23Å |
| 255 | I | 95.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 25.7 Ų | 25.7 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -50.7 | 178.5 | -68.7 | 165.5 | 0 | 0 | 0 | 111.1 | S251 L252 I253 N257 A258 Q260 | S251-I255 WeakPolarHBondContact O-CG1 3.27Å; S251-I255 PolarHBondContact O-N 3.46Å; L252-I255 HydrophobicContact CD2-CD1 4.46Å; L252-I255 PolarHBondContact O-N 3.2Å; I253-I255 PolarHBondContact O-N 3.35Å; I255-N257 VanDerWaalsContact C-N 3.33Å; I255-N257 PolarHBondContact O-N 3.26Å; I255-A258 PolarHBondContact O-N 3.33Å; I255-Q260 HydrophobicContact CG2-CB 3.65Å; I255-Q260 WeakPolarHBondContact O-CB 3.38Å; I255-Q260 PolarHBondContact O-N 2.7Å; I255-Q260 VanDerWaalsContact O-N 3.1Å |
| 256 | V | 96.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.4 | -35.9 | -179.6 | -59.9 | 0 | 0 | 0 | 0 | 112 | F4 A10 L252 I253 A258 G259 P262 L292 Y295 I296 | F4-V256 HydrophobicContact CE1-CB 4.49Å; F4-V256 WeakPolarHBondContact CE1-O 3.36Å; F4-V256 HydrophobicContact CZ-CB 4.33Å; F4-V256 HydrophobicContact CZ-CG2 4Å; A10-V256 HydrophobicContact CB-CB 4.21Å; L252-V256 PolarHBondContact O-N 3.08Å; I253-V256 VanDerWaalsContact O-CG2 3.27Å; I253-V256 WeakPolarHBondContact O-CG2 3.49Å; I253-V256 PolarHBondContact O-N 3.09Å; V256-A258 PolarHBondContact O-N 2.85Å; V256-G259 PolarHBondContact O-N 2.84Å; V256-P262 HydrophobicContact CG1-CB 3.79Å; V256-P262 HydrophobicContact CG1-CG 3.6Å; V256-L292 HydrophobicContact CG1-CD1 4.26Å; V256-L292 HydrophobicContact CG2-CD1 4.21Å; V256-Y295 HydrophobicContact CG2-CD1 4.26Å; V256-Y295 HydrophobicContact CG2-CE1 3.98Å; V256-I296 HydrophobicContact CG1-CD1 4.25Å; V256-I296 HydrophobicContact CG2-CG1 4.43Å |
| 257 | N | 95.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 28 Ų | 28 | 29% | 0.289 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.5 | -28.8 | 175.6 | -74 | -15.7 | 0 | 0 | 0 | 112.6 | P2 I253 G254 I255 G259 Y295 | P2-N257 HydrophobicContact CG-CB 3.97Å; I253-N257 VanDerWaalsContact O-CB 3.27Å; I253-N257 WeakPolarHBondContact O-CB 3.27Å; I253-N257 PolarHBondContact O-N 2.87Å; I253-N257 PolarHBondContact O-ND2 3.31Å; G254-N257 PolarHBondContact O-N 2.66Å; I255-N257 VanDerWaalsContact C-N 3.33Å; I255-N257 PolarHBondContact O-N 3.26Å; N257-G259 PolarHBondContact O-N 3.45Å; N257-Y295 PolarHBondContact ND2-OH 3.1Å; N257-Y295 WeakPolarHBondContact OD1-CE1 3.13Å; N257-Y295 PolarHBondContact OD1-OH 3.31Å |
| 258 | A | 94.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 28 Ų | 28 | 59% | 0.587 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 5.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G254 I255 V256 Q260 | G254-A258 WeakPolarHBondContact O-CB 3.44Å; G254-A258 PolarHBondContact O-N 3.23Å; I255-A258 PolarHBondContact O-N 3.33Å; V256-A258 PolarHBondContact O-N 2.85Å; A258-Q260 VanDerWaalsContact C-N 3.29Å; A258-Q260 HydrophobicContact CB-CG 4.47Å; A258-Q260 PolarHBondContact O-N 3.3Å |
| 259 | G | 95.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 28.9 Ų | 28.9 | 45% | 0.454 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 7.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N9 V256 N257 | N9-G259 PolarHBondContact ND2-O 3.27Å; V256-G259 PolarHBondContact O-N 2.84Å; N257-G259 PolarHBondContact O-N 3.45Å |
| 260 | Q | 95.7 | Very high | 96.5 | Very high | 106 Ų | 106 | 32.4 Ų | 32.4 | 50% | 0.495 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -87.9 | 153.2 | -177.3 | -63.3 | 178.4 | -14.3 | 0 | 0 | 111.8 | I255 A258 | I255-Q260 HydrophobicContact CG2-CB 3.65Å; I255-Q260 WeakPolarHBondContact O-CB 3.38Å; I255-Q260 PolarHBondContact O-N 2.7Å; I255-Q260 VanDerWaalsContact O-N 3.1Å; A258-Q260 VanDerWaalsContact C-N 3.29Å; A258-Q260 HydrophobicContact CB-CG 4.47Å; A258-Q260 PolarHBondContact O-N 3.3Å |
| 261 | M | 96.6 | Very high | 96.5 | Very high | 93 Ų | 93 | 31.9 Ų | 31.9 | 46% | 0.458 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -71.8 | 123.6 | 172.7 | -176.5 | 68 | 68.9 | 0 | 0 | 109.5 | N9 K12 W13 | N9-M261 HydrophobicContact CB-CB 4.33Å; N9-M261 HydrophobicContact CB-CE 4.08Å; K12-M261 HydrophobicContact CB-CE 4.28Å; W13-M261 HydrophobicContact CB-SD 3.61Å; W13-M261 HydrophobicContact CG-SD 4.14Å |
| 262 | P | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 138.1 | 179 | 29.8 | -31.2 | 0 | 0 | 0 | 110.8 | W13 L252 V256 L292 | W13-P262 HydrophobicContact CB-CG 4.12Å; W13-P262 HydrophobicContact CD2-CG 3.7Å; W13-P262 HydrophobicContact CE3-CG 4.29Å; W13-P262 HydrophobicContact CG-CG 3.57Å; L252-P262 HydrophobicContact CD2-CB 3.91Å; V256-P262 HydrophobicContact CG1-CB 3.79Å; V256-P262 HydrophobicContact CG1-CG 3.6Å; P262-L292 HydrophobicContact CB-CD2 3.8Å; P262-L292 HydrophobicContact CG-CD2 3.94Å |
| 263 | C | 96.7 | Very high | 96.5 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | trans | -123.3 | 99.2 | 171.7 | -177 | 0 | 0 | 0 | 0 | 109.3 | A266 T267 | C263-A266 HydrophobicContact CB-CB 4.01Å; C263-A266 PolarHBondContact O-N 2.81Å; C263-A266 WeakPolarHBondContact SG-CB 3.47Å; C263-T267 PolarHBondContact O-N 2.82Å; C263-T267 PolarHBondContact O-OG1 3.4Å | ||
| 264 | I | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -48.1 | -174.3 | -63.1 | -164.8 | 0 | 0 | 0 | 112.2 | W13 L252 A266 T267 I268 Y285 L288 H289 L292 | W13-I264 HydrophobicContact CH2-CD1 4.08Å; W13-I264 HydrophobicContact CZ2-CD1 3.74Å; W13-I264 HydrophobicContact CZ2-CG1 4.24Å; L252-I264 HydrophobicContact CD1-CD1 4.03Å; L252-I264 HydrophobicContact CD1-CG1 3.75Å; L252-I264 HydrophobicContact CD2-CG1 3.96Å; I264-A266 VanDerWaalsContact C-N 3.35Å; I264-A266 PolarHBondContact O-N 3.4Å; I264-T267 PolarHBondContact O-N 2.8Å; I264-I268 HydrophobicContact CG2-CD1 3.64Å; I264-I268 HydrophobicContact CG2-CG1 4.35Å; I264-I268 VanDerWaalsContact O-CG1 3.29Å; I264-I268 WeakPolarHBondContact O-CG1 3.48Å; I264-I268 PolarHBondContact O-N 3.48Å; I264-Y285 HydrophobicContact CG2-CE2 3.98Å; I264-L288 HydrophobicContact CD1-CG 4.44Å; I264-L288 HydrophobicContact CG2-CD2 3.66Å; I264-L288 HydrophobicContact CG2-CG 4.43Å; I264-H289 HydrophobicContact CD1-CB 4.4Å; I264-L292 HydrophobicContact CD1-CD2 4.22Å |
| 265 | P | 97.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 177.3 | -23.4 | 31.7 | 0 | 0 | 0 | 113.1 | E31 E35 L36 T267 I268 A269 | E31-P265 HydrophobicContact CG-CB 4.41Å; E31-P265 HydrophobicContact CG-CG 3.47Å; E31-P265 VanDerWaalsContact CG-CG 3.47Å; E31-P265 WeakPolarHBondContact OE2-CG 3.42Å; E35-P265 HydrophobicContact CB-CB 4.17Å; L36-P265 HydrophobicContact CD2-CB 4.28Å; P265-T267 PolarHBondContact O-N 3.39Å; P265-I268 PolarHBondContact O-N 3.49Å; P265-A269 WeakPolarHBondContact O-CB 3.48Å; P265-A269 PolarHBondContact O-N 2.99Å |
| 266 | A | 96.5 | Very high | 96.8 | Very high | 46 Ų | 46 | 36.8 Ų | 36.8 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.7 | -42.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C263 I264 I268 A269 K270 | C263-A266 HydrophobicContact CB-CB 4.01Å; C263-A266 PolarHBondContact O-N 2.81Å; C263-A266 WeakPolarHBondContact SG-CB 3.47Å; I264-A266 VanDerWaalsContact C-N 3.35Å; I264-A266 PolarHBondContact O-N 3.4Å; A266-I268 VanDerWaalsContact C-N 3.35Å; A266-I268 PolarHBondContact O-N 2.96Å; A266-A269 PolarHBondContact O-N 3.5Å; A266-K270 WeakPolarHBondContact O-CG 3.2Å; A266-K270 PolarHBondContact O-N 2.74Å |
| 267 | T | 97.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.7 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | L252 C263 I264 P265 K270 I271 | L252-T267 HydrophobicContact CD2-CG2 4.41Å; L252-T267 HydrophobicContact CG-CG2 4.18Å; C263-T267 PolarHBondContact O-N 2.82Å; C263-T267 PolarHBondContact O-OG1 3.4Å; I264-T267 PolarHBondContact O-N 2.8Å; P265-T267 PolarHBondContact O-N 3.39Å; T267-K270 PolarHBondContact O-N 3.27Å; T267-I271 HydrophobicContact CG2-CD1 4.44Å; T267-I271 WeakPolarHBondContact O-CG1 3.35Å; T267-I271 PolarHBondContact O-N 2.9Å |
| 268 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 178.1 | -62.3 | 171 | 0 | 0 | 0 | 111 | L36 A248 I264 P265 A266 K270 I271 R272 I279 Y285 L288 | L36-I268 HydrophobicContact CD1-CG2 4.08Å; L36-I268 HydrophobicContact CD2-CB 3.81Å; L36-I268 HydrophobicContact CD2-CD1 4.34Å; L36-I268 HydrophobicContact CD2-CG2 3.74Å; L36-I268 HydrophobicContact CG-CG2 4.48Å; A248-I268 HydrophobicContact CB-CG1 4.33Å; I264-I268 HydrophobicContact CG2-CD1 3.64Å; I264-I268 HydrophobicContact CG2-CG1 4.35Å; I264-I268 VanDerWaalsContact O-CG1 3.29Å; I264-I268 WeakPolarHBondContact O-CG1 3.48Å; I264-I268 PolarHBondContact O-N 3.48Å; P265-I268 PolarHBondContact O-N 3.49Å; A266-I268 VanDerWaalsContact C-N 3.35Å; A266-I268 PolarHBondContact O-N 2.96Å; I268-K270 PolarHBondContact O-N 3.2Å; I268-I271 CarbonylContact O-C 3.58Å; I268-I271 PolarHBondContact O-N 2.97Å; I268-I271 VanDerWaalsContact O-N 3.1Å; I268-R272 HydrophobicContact CG2-CG 4.09Å; I268-R272 PolarHBondContact O-N 2.92Å; I268-I279 HydrophobicContact CD1-CD1 3.46Å; I268-I279 VanDerWaalsContact CD1-CD1 3.46Å; I268-I279 HydrophobicContact CG1-CD1 3.58Å; I268-I279 HydrophobicContact CG2-CD1 4.25Å; I268-Y285 HydrophobicContact CD1-CD2 3.57Å; I268-Y285 HydrophobicContact CD1-CE2 3.52Å; I268-L288 HydrophobicContact CD1-CD2 3.8Å; I268-L288 HydrophobicContact CG1-CD2 4.21Å |
| 269 | A | 96.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 32.9 Ų | 32.9 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P37 P265 A266 I271 R272 Q273 | P37-A269 HydrophobicContact CG-CB 3.84Å; P265-A269 WeakPolarHBondContact O-CB 3.48Å; P265-A269 PolarHBondContact O-N 2.99Å; A266-A269 PolarHBondContact O-N 3.5Å; A269-I271 PolarHBondContact O-N 3Å; A269-R272 PolarHBondContact O-N 3.24Å; A269-Q273 VanDerWaalsContact O-CG 3.29Å; A269-Q273 WeakPolarHBondContact O-CG 3.29Å; A269-Q273 PolarHBondContact O-N 2.82Å |
| 270 | K | 97.2 | Very high | 96.6 | Very high | 74 Ų | 74 | 32.8 Ų | 32.8 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.9 | -36.4 | 173.5 | -71.2 | 178.1 | 178.4 | -178.7 | 0 | 112.4 | L89 E91 A266 T267 I268 Q274 | L89-K270 HydrophobicContact CD2-CB 4.13Å; E91-K270 IonicContact OE1-NZ 3.94Å; E91-K270 PolarHBondContact OE1-NZ 3.34Å; E91-K270 IonicContact OE2-NZ 3.9Å; A266-K270 WeakPolarHBondContact O-CG 3.2Å; A266-K270 PolarHBondContact O-N 2.74Å; T267-K270 PolarHBondContact O-N 3.27Å; I268-K270 PolarHBondContact O-N 3.2Å; K270-Q274 PolarHBondContact O-NE2 3.01Å; K270-Q274 VanDerWaalsContact O-NE2 3.12Å |
| 271 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.1 | -45.1 | 176.5 | -60.8 | 166.2 | 0 | 0 | 0 | 110.4 | V87 L89 L98 V247 A248 T267 I268 A269 Q273 Q274 R275 A278 | V87-I271 HydrophobicContact CG1-CG1 4.33Å; V87-I271 HydrophobicContact CG1-CG2 4.24Å; L89-I271 HydrophobicContact CD1-CG1 4.38Å; L89-I271 HydrophobicContact CD2-CG1 4.18Å; L98-I271 HydrophobicContact CD1-CG2 4.48Å; V247-I271 HydrophobicContact CB-CD1 4.27Å; V247-I271 HydrophobicContact CG1-CD1 3.86Å; V247-I271 HydrophobicContact CG1-CG1 4.24Å; A248-I271 HydrophobicContact CB-CD1 3.67Å; T267-I271 HydrophobicContact CG2-CD1 4.44Å; T267-I271 WeakPolarHBondContact O-CG1 3.35Å; T267-I271 PolarHBondContact O-N 2.9Å; I268-I271 CarbonylContact O-C 3.58Å; I268-I271 PolarHBondContact O-N 2.97Å; I268-I271 VanDerWaalsContact O-N 3.1Å; A269-I271 PolarHBondContact O-N 3Å; I271-Q273 VanDerWaalsContact C-N 3.25Å; I271-Q273 PolarHBondContact O-N 2.79Å; I271-Q274 CarbonylContact O-C 3.59Å; I271-Q274 WeakPolarHBondContact O-CA 3.38Å; I271-Q274 PolarHBondContact O-N 2.92Å; I271-R275 PolarHBondContact O-N 2.79Å; I271-A278 HydrophobicContact CB-CB 4.35Å; I271-A278 HydrophobicContact CG2-CB 3.49Å; I271-A278 VanDerWaalsContact CG2-CB 3.49Å |
| 272 | R | 97.5 | Very high | 96.2 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -27.1 | -179.3 | -76.7 | -164.8 | 176.1 | -175.8 | 3.8 | 113.7 | L36 P37 I268 A269 Q274 R275 A278 I279 | L36-R272 VanDerWaalsContact CB-NH1 3.34Å; P37-R272 HydrophobicContact CB-CB 4.17Å; P37-R272 HydrophobicContact CG-CB 4.29Å; P37-R272 WeakPolarHBondContact O-CD 3.5Å; P37-R272 PolarHBondContact O-NH1 3.31Å; I268-R272 HydrophobicContact CG2-CG 4.09Å; I268-R272 PolarHBondContact O-N 2.92Å; A269-R272 PolarHBondContact O-N 3.24Å; R272-Q274 PolarHBondContact O-N 2.63Å; R272-R275 WeakPolarHBondContact CA-O 3.48Å; R272-A278 HydrophobicContact CG-CB 4.01Å; R272-A278 PolarHBondContact NE-O 2.9Å; R272-A278 PolarHBondContact NH2-O 3.01Å; R272-I279 PolarHBondContact NH2-O 3.08Å |
| 273 | Q | 96.9 | Very high | 96 | Very high | 128 Ų | 128 | 30.2 Ų | 30.2 | 60% | 0.598 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.3 | 169.8 | -74.6 | 168.8 | -2.9 | 0 | 0 | 113.4 | L65 A269 I271 | L65-Q273 WeakPolarHBondContact CD1-O 3.5Å; A269-Q273 VanDerWaalsContact O-CG 3.29Å; A269-Q273 WeakPolarHBondContact O-CG 3.29Å; A269-Q273 PolarHBondContact O-N 2.82Å; I271-Q273 VanDerWaalsContact C-N 3.25Å; I271-Q273 PolarHBondContact O-N 2.79Å |
| 274 | Q | 97.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 27.6 Ų | 27.6 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -32.2 | -176 | -59.6 | -178.8 | 69.5 | 0 | 0 | 113.1 | T68 S85 W86 V87 K88 K270 I271 R272 | T68-Q274 WeakPolarHBondContact CB-O 3.31Å; T68-Q274 HydrophobicContact CG2-CB 3.98Å; T68-Q274 HydrophobicContact CG2-CG 4.05Å; T68-Q274 PolarHBondContact OG1-O 2.86Å; S85-Q274 VanDerWaalsContact CB-O 3.24Å; S85-Q274 WeakPolarHBondContact CB-O 3.5Å; W86-Q274 WeakPolarHBondContact O-CB 3.38Å; V87-Q274 HydrophobicContact CG2-CB 4.13Å; K88-Q274 PolarHBondContact O-NE2 3.16Å; K88-Q274 PolarHBondContact O-OE1 3.21Å; K270-Q274 PolarHBondContact O-NE2 3.01Å; K270-Q274 VanDerWaalsContact O-NE2 3.12Å; I271-Q274 CarbonylContact O-C 3.59Å; I271-Q274 WeakPolarHBondContact O-CA 3.38Å; I271-Q274 PolarHBondContact O-N 2.92Å; R272-Q274 PolarHBondContact O-N 2.63Å |
| 275 | R | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -132.3 | 102.9 | 171.4 | -177.4 | 71.2 | 176.5 | 166.6 | 3 | 108.2 | H83 S85 V87 L98 T238 G239 I271 R272 A278 | H83-R275 PolarHBondContact CE1-NH1 3.39Å; H83-R275 VanDerWaalsContact CE1-NH1 3.34Å; H83-R275 PolarHBondContact CE1-NH2 2.87Å; H83-R275 PolarHBondContact ND1-NH1 3.43Å; H83-R275 PolarHBondContact ND1-NH2 2.7Å; S85-R275 WeakPolarHBondContact OG-CD 3.21Å; S85-R275 PolarHBondContact OG-NH1 2.77Å; S85-R275 VanDerWaalsContact OG-NH1 3.14Å; V87-R275 HydrophobicContact CG2-CB 3.82Å; L98-R275 HydrophobicContact CB-CB 4.44Å; L98-R275 HydrophobicContact CB-CG 3.94Å; L98-R275 HydrophobicContact CD1-CB 4.15Å; L98-R275 HydrophobicContact CD1-CG 4.04Å; T238-R275 PolarHBondContact O-NH2 3.14Å; G239-R275 PolarHBondContact O-NE 2.84Å; G239-R275 VanDerWaalsContact O-NE 3.12Å; I271-R275 PolarHBondContact O-N 2.79Å; R272-R275 WeakPolarHBondContact CA-O 3.48Å; R275-A278 PolarHBondContact O-N 3.28Å |
| 276 | A | 97 | Very high | 95.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 146.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P40 P63 A278 | P40-A276 HydrophobicContact CG-CB 3.88Å; P63-A276 HydrophobicContact CB-CB 4.42Å; P63-A276 WeakPolarHBondContact O-CB 3.33Å; A276-A278 PolarHBondContact O-N 3.08Å; A276-A278 VanDerWaalsContact O-N 3.1Å |
| 277 | M | 95.7 | Very high | 95.5 | Very high | 42 Ų | 42 | 26 Ų | 26 | 21% | 0.207 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 17.3 | 175.1 | -50.6 | -60.4 | -66.9 | 0 | 0 | 115.2 | R39 I279 L280 | R39-M277 HydrophobicContact CB-SD 4.18Å; M277-I279 CarbonylContact O-C 3.52Å; M277-I279 PolarHBondContact O-N 3.1Å; M277-L280 HydrophobicContact CB-CD2 3.54Å; M277-L280 HydrophobicContact CE-CD2 4.35Å; M277-L280 WeakPolarHBondContact O-CD2 3.49Å; M277-L280 WeakPolarHBondContact O-CG 3.32Å |
| 278 | A | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | trans | -50.2 | 131.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A240 I271 R272 R275 A276 | A240-A278 WeakPolarHBondContact O-CA 3.24Å; I271-A278 HydrophobicContact CB-CB 4.35Å; I271-A278 HydrophobicContact CG2-CB 3.49Å; I271-A278 VanDerWaalsContact CG2-CB 3.49Å; R272-A278 HydrophobicContact CG-CB 4.01Å; R272-A278 PolarHBondContact NE-O 2.9Å; R272-A278 PolarHBondContact NH2-O 3.01Å; R275-A278 PolarHBondContact O-N 3.28Å; A276-A278 PolarHBondContact O-N 3.08Å; A276-A278 VanDerWaalsContact O-N 3.1Å | ||
| 279 | I | 95 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 60.1 | 91.2 | -167.5 | -58.5 | 166.6 | 0 | 0 | 0 | 110.2 | A240 M245 A248 I268 R272 M277 Q284 L288 | A240-I279 PolarHBondContact O-N 3.07Å; A240-I279 VanDerWaalsContact O-N 3.16Å; M245-I279 HydrophobicContact CB-CG1 4.09Å; A248-I279 HydrophobicContact CB-CD1 3.95Å; I268-I279 HydrophobicContact CD1-CD1 3.46Å; I268-I279 VanDerWaalsContact CD1-CD1 3.46Å; I268-I279 HydrophobicContact CG1-CD1 3.58Å; I268-I279 HydrophobicContact CG2-CD1 4.25Å; R272-I279 PolarHBondContact NH2-O 3.08Å; M277-I279 CarbonylContact O-C 3.52Å; M277-I279 PolarHBondContact O-N 3.1Å; I279-Q284 HydrophobicContact CG2-CB 3.71Å; I279-L288 HydrophobicContact CD1-CD2 3.83Å |
| 280 | L | 90.8 | Very high | 95.2 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 22% | 0.22 | 12% | 0.123 | C | C | . | . | trans | -85.2 | -25.4 | -168.9 | -78.1 | 168.6 | 0 | 0 | 0 | 113.7 | Y32 V62 T238 A240 M277 | Y32-L280 PolarHBondContact OH-O 2.72Å; V62-L280 HydrophobicContact CG2-CD1 4.27Å; V62-L280 HydrophobicContact CG2-CD2 4.22Å; T238-L280 HydrophobicContact CG2-CD1 4.21Å; T238-L280 WeakPolarHBondContact OG1-CD1 3.32Å; A240-L280 HydrophobicContact CB-CD1 4.25Å; A240-L280 HydrophobicContact CB-CG 4.3Å; M277-L280 HydrophobicContact CB-CD2 3.54Å; M277-L280 HydrophobicContact CE-CD2 4.35Å; M277-L280 WeakPolarHBondContact O-CD2 3.49Å; M277-L280 WeakPolarHBondContact O-CG 3.32Å | ||
| 281 | L | 91.5 | Very high | 95.2 | Very high | 65 Ų | 65 | 22 Ų | 22 | 34% | 0.34 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -119.1 | 145.5 | -169.8 | -60.2 | 176.9 | 0 | 0 | 0 | 110.3 | Y32 C202 E283 Q284 Y285 | Y32-L281 PolarHBondContact OH-N 2.81Å; C202-L281 HydrophobicContact CB-CD1 3.6Å; C202-L281 VanDerWaalsContact SG-CD1 3.52Å; L281-E283 PolarHBondContact O-N 2.88Å; L281-Q284 HydrophobicContact CB-CB 4.5Å; L281-Q284 HydrophobicContact CB-CG 4.11Å; L281-Q284 WeakPolarHBondContact O-CB 3.4Å; L281-Q284 PolarHBondContact O-N 2.81Å; L281-Y285 PolarHBondContact O-N 2.84Å |
| 282 | V | 92.2 | Very high | 95.2 | Very high | 32 Ų | 32 | 22 Ų | 22 | 19% | 0.194 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.9 | -31.7 | 177.5 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | L29 Y32 Q284 Y285 M286 | L29-V282 HydrophobicContact CD2-CG2 3.62Å; Y32-V282 HydrophobicContact CD1-CB 4.01Å; Y32-V282 HydrophobicContact CD1-CG2 4.06Å; Y32-V282 HydrophobicContact CE1-CB 4.06Å; Y32-V282 HydrophobicContact CG-CB 4.48Å; Y32-V282 HydrophobicContact CG-CG2 4.23Å; V282-Q284 VanDerWaalsContact C-N 3.29Å; V282-Q284 PolarHBondContact O-N 2.9Å; V282-Y285 WeakPolarHBondContact O-CB 3.49Å; V282-Y285 PolarHBondContact O-N 3.39Å; V282-Y285 VanDerWaalsContact O-N 3.16Å; V282-M286 WeakPolarHBondContact O-CG 3.5Å; V282-M286 PolarHBondContact O-N 3.46Å |
| 283 | E | 91.7 | Very high | 95.2 | Very high | 54 Ų | 54 | 21.1 Ų | 21.1 | 25% | 0.252 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 174.1 | -63.9 | 82.2 | 176.8 | 0 | 0 | 111 | C202 L203 L281 Y285 M286 F287 | C202-E283 HydrophobicContact CB-CB 4.34Å; L203-E283 HydrophobicContact CD1-CB 4.13Å; L203-E283 VanDerWaalsContact CD2-C 3.41Å; L203-E283 HydrophobicContact CD2-CB 3.95Å; L203-E283 VanDerWaalsContact CD2-O 3.27Å; L203-E283 WeakPolarHBondContact CD2-O 3.22Å; L203-E283 HydrophobicContact CG-CB 4.2Å; L281-E283 PolarHBondContact O-N 2.88Å; E283-Y285 VanDerWaalsContact C-N 3.3Å; E283-Y285 PolarHBondContact O-N 2.89Å; E283-M286 HydrophobicContact CG-CE 4.27Å; E283-M286 PolarHBondContact O-N 2.76Å; E283-F287 VanDerWaalsContact O-CB 3.27Å; E283-F287 WeakPolarHBondContact O-CB 3.32Å; E283-F287 PolarHBondContact O-N 3.41Å |
| 284 | Q | 93.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 15 Ų | 15 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.4 | -36.3 | 177.7 | -68.3 | 168 | -7.4 | 0 | 0 | 110.7 | C202 L203 M245 I279 L281 V282 L288 | C202-Q284 WeakPolarHBondContact O-CG 3.48Å; C202-Q284 PolarHBondContact O-NE2 3.47Å; L203-Q284 HydrophobicContact CD2-CB 4.36Å; L203-Q284 HydrophobicContact CD2-CG 3.94Å; M245-Q284 HydrophobicContact SD-CB 4.05Å; M245-Q284 HydrophobicContact SD-CG 4.32Å; I279-Q284 HydrophobicContact CG2-CB 3.71Å; L281-Q284 HydrophobicContact CB-CB 4.5Å; L281-Q284 HydrophobicContact CB-CG 4.11Å; L281-Q284 WeakPolarHBondContact O-CB 3.4Å; L281-Q284 PolarHBondContact O-N 2.81Å; V282-Q284 VanDerWaalsContact C-N 3.29Å; V282-Q284 PolarHBondContact O-N 2.9Å; Q284-L288 WeakPolarHBondContact O-CB 3.43Å; Q284-L288 PolarHBondContact O-N 3.25Å |
| 285 | Y | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 175.3 | -173.4 | -95.9 | 0 | 0 | 0 | 112.5 | L28 E31 Y32 L36 I264 I268 L281 V282 E283 L288 H289 | L28-Y285 HydrophobicContact CB-CE1 4.36Å; L28-Y285 HydrophobicContact CD2-CE1 4.27Å; E31-Y285 VanDerWaalsContact CG-OH 3.24Å; E31-Y285 WeakPolarHBondContact CG-OH 3.19Å; E31-Y285 PolarHBondContact OE1-OH 3.36Å; Y32-Y285 HydrophobicContact CD2-CD1 4.19Å; Y32-Y285 AromaticContact CD2-CD2 3.67Å; Y32-Y285 HydrophobicContact CD2-CD2 3.67Å; Y32-Y285 HydrophobicContact CD2-CE2 4.38Å; Y32-Y285 AromaticContact CD2-CG 3.55Å; Y32-Y285 HydrophobicContact CD2-CG 3.55Å; Y32-Y285 HydrophobicContact CE2-CD2 4.43Å; Y32-Y285 HydrophobicContact CE2-CG 4.38Å; Y32-Y285 HydrophobicContact CG-CD1 4.48Å; Y32-Y285 HydrophobicContact CG-CG 4.26Å; L36-Y285 HydrophobicContact CD1-CD2 3.99Å; L36-Y285 HydrophobicContact CD1-CE2 3.96Å; L36-Y285 HydrophobicContact CD2-CE2 4.29Å; L36-Y285 HydrophobicContact CG-CE2 4.44Å; I264-Y285 HydrophobicContact CG2-CE2 3.98Å; I268-Y285 HydrophobicContact CD1-CD2 3.57Å; I268-Y285 HydrophobicContact CD1-CE2 3.52Å; L281-Y285 PolarHBondContact O-N 2.84Å; V282-Y285 WeakPolarHBondContact O-CB 3.49Å; V282-Y285 PolarHBondContact O-N 3.39Å; V282-Y285 VanDerWaalsContact O-N 3.16Å; E283-Y285 VanDerWaalsContact C-N 3.3Å; E283-Y285 PolarHBondContact O-N 2.89Å; Y285-L288 WeakPolarHBondContact O-CB 3.42Å; Y285-L288 PolarHBondContact O-N 3.16Å; Y285-H289 AromaticContact CD1-CE1 3.98Å; Y285-H289 AromaticContact CE1-CE1 3.39Å; Y285-H289 WeakPolarHBondContact CE1-CE1 3.44Å; Y285-H289 AromaticContact CZ-CE1 3.61Å; Y285-H289 PolarHBondContact O-N 3.05Å; Y285-H289 PolarHBondContact O-ND1 2.7Å |
| 286 | M | 93.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 14.3 Ų | 14.3 | 11% | 0.108 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 174.8 | -68.6 | -173.2 | -65.9 | 0 | 0 | 111.6 | L25 V282 E283 L288 H289 Y290 L317 | L25-M286 HydrophobicContact CD1-SD 3.63Å; V282-M286 WeakPolarHBondContact O-CG 3.5Å; V282-M286 PolarHBondContact O-N 3.46Å; E283-M286 HydrophobicContact CG-CE 4.27Å; E283-M286 PolarHBondContact O-N 2.76Å; M286-L288 VanDerWaalsContact C-N 3.27Å; M286-L288 PolarHBondContact O-N 3.49Å; M286-H289 WeakPolarHBondContact O-CB 3.31Å; M286-H289 PolarHBondContact O-N 3.02Å; M286-H289 VanDerWaalsContact O-N 3.12Å; M286-Y290 PolarHBondContact O-N 3.46Å; M286-L317 CarbonylContact C-O 3.42Å; M286-L317 HydrophobicContact CB-CB 4.42Å; M286-L317 HydrophobicContact CB-CD2 4.04Å; M286-L317 HydrophobicContact CG-CD2 4.19Å |
| 287 | F | 94 | Very high | 95 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.009 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63 | -34.2 | 177.5 | -177.1 | -88.8 | 0 | 0 | 0 | 112.3 | L203 P204 V207 F210 M245 E283 H289 Y290 A291 L317 R318 V321 | L203-F287 HydrophobicContact CB-CD2 4.24Å; L203-F287 HydrophobicContact CB-CG 4.5Å; L203-F287 HydrophobicContact CD1-CB 4.01Å; L203-F287 HydrophobicContact CD1-CD2 4.08Å; L203-F287 HydrophobicContact CD1-CG 4.36Å; L203-F287 HydrophobicContact CD2-CB 3.66Å; L203-F287 HydrophobicContact CD2-CG 4.13Å; L203-F287 HydrophobicContact CG-CB 4.34Å; P204-F287 HydrophobicContact CB-CE1 4.35Å; P204-F287 HydrophobicContact CB-CZ 3.86Å; P204-F287 HydrophobicContact CG-CD1 4.35Å; P204-F287 HydrophobicContact CG-CE1 3.54Å; P204-F287 HydrophobicContact CG-CE2 4.4Å; P204-F287 HydrophobicContact CG-CZ 3.56Å; V207-F287 HydrophobicContact CB-CE2 4.35Å; V207-F287 HydrophobicContact CB-CZ 4.04Å; V207-F287 HydrophobicContact CG2-CZ 4.1Å; F210-F287 HydrophobicContact CD1-CE1 4.14Å; M245-F287 HydrophobicContact CE-CD1 3.55Å; M245-F287 HydrophobicContact CE-CE1 3.66Å; M245-F287 HydrophobicContact SD-CD1 3.72Å; M245-F287 HydrophobicContact SD-CE1 4.44Å; E283-F287 VanDerWaalsContact O-CB 3.27Å; E283-F287 WeakPolarHBondContact O-CB 3.32Å; E283-F287 PolarHBondContact O-N 3.41Å; F287-H289 VanDerWaalsContact C-N 3.3Å; F287-H289 PolarHBondContact O-N 2.77Å; F287-Y290 HydrophobicContact CD2-CD1 4.36Å; F287-Y290 HydrophobicContact CE2-CD1 4.29Å; F287-Y290 WeakPolarHBondContact O-CB 3.26Å; F287-Y290 PolarHBondContact O-N 2.98Å; F287-A291 HydrophobicContact CD1-CB 4.33Å; F287-A291 HydrophobicContact CE1-CB 4.03Å; F287-A291 WeakPolarHBondContact O-CB 3.32Å; F287-A291 PolarHBondContact O-N 2.9Å; F287-L317 PolarHBondContact N-O 3.01Å; F287-R318 HydrophobicContact CD2-CB 4.4Å; F287-V321 HydrophobicContact CD2-CG2 4.49Å |
| 288 | L | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 174.6 | -175.3 | 66.3 | 0 | 0 | 0 | 111.9 | M245 A248 L249 L252 I264 I268 I279 Q284 Y285 M286 L292 | M245-L288 HydrophobicContact CG-CB 4.5Å; M245-L288 HydrophobicContact CG-CD1 4.29Å; A248-L288 HydrophobicContact CB-CD1 4.19Å; A248-L288 HydrophobicContact CB-CD2 3.85Å; L249-L288 HydrophobicContact CB-CD1 3.51Å; L249-L288 HydrophobicContact CD1-CD1 4.04Å; L249-L288 HydrophobicContact CG-CD1 4.29Å; L252-L288 HydrophobicContact CD1-CD1 4.09Å; L252-L288 HydrophobicContact CD1-CD2 3.91Å; L252-L288 HydrophobicContact CD1-CG 3.97Å; I264-L288 HydrophobicContact CD1-CG 4.44Å; I264-L288 HydrophobicContact CG2-CD2 3.66Å; I264-L288 HydrophobicContact CG2-CG 4.43Å; I268-L288 HydrophobicContact CD1-CD2 3.8Å; I268-L288 HydrophobicContact CG1-CD2 4.21Å; I279-L288 HydrophobicContact CD1-CD2 3.83Å; Q284-L288 WeakPolarHBondContact O-CB 3.43Å; Q284-L288 PolarHBondContact O-N 3.25Å; Y285-L288 WeakPolarHBondContact O-CB 3.42Å; Y285-L288 PolarHBondContact O-N 3.16Å; M286-L288 VanDerWaalsContact C-N 3.27Å; M286-L288 PolarHBondContact O-N 3.49Å; L288-L292 PolarHBondContact O-N 3.03Å; L288-L292 VanDerWaalsContact O-N 3.11Å |
| 289 | H | 96.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62 | -49.6 | 172.5 | -72.4 | 74.2 | 0 | 0 | 0 | 111.1 | W13 L28 I264 Y285 M286 F287 A291 L292 V293 L317 | W13-H289 AromaticContact CZ2-CD2 3.91Å; L28-H289 VanDerWaalsContact CD2-NE2 3.27Å; L28-H289 WeakPolarHBondContact CD2-NE2 3.32Å; I264-H289 HydrophobicContact CD1-CB 4.4Å; Y285-H289 AromaticContact CD1-CE1 3.98Å; Y285-H289 AromaticContact CE1-CE1 3.39Å; Y285-H289 WeakPolarHBondContact CE1-CE1 3.44Å; Y285-H289 AromaticContact CZ-CE1 3.61Å; Y285-H289 PolarHBondContact O-N 3.05Å; Y285-H289 PolarHBondContact O-ND1 2.7Å; M286-H289 WeakPolarHBondContact O-CB 3.31Å; M286-H289 PolarHBondContact O-N 3.02Å; M286-H289 VanDerWaalsContact O-N 3.12Å; F287-H289 VanDerWaalsContact C-N 3.3Å; F287-H289 PolarHBondContact O-N 2.77Å; H289-A291 VanDerWaalsContact C-N 3.33Å; H289-A291 PolarHBondContact O-N 2.85Å; H289-L292 PolarHBondContact O-N 3.29Å; H289-V293 WeakPolarHBondContact O-CG2 3.43Å; H289-V293 PolarHBondContact O-N 3.25Å; H289-L317 HydrophobicContact CB-CD1 3.89Å |
| 290 | Y | 95.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.7 | -44.1 | 178.7 | 179.1 | -108.6 | 0 | 0 | 0 | 112.8 | V207 M286 F287 V293 T294 V314 R318 | V207-Y290 HydrophobicContact CB-CD1 4.32Å; V207-Y290 HydrophobicContact CB-CE1 3.86Å; V207-Y290 HydrophobicContact CG1-CE1 3.77Å; V207-Y290 HydrophobicContact CG2-CD1 4.14Å; V207-Y290 HydrophobicContact CG2-CE1 4.07Å; M286-Y290 PolarHBondContact O-N 3.46Å; F287-Y290 HydrophobicContact CD2-CD1 4.36Å; F287-Y290 HydrophobicContact CE2-CD1 4.29Å; F287-Y290 WeakPolarHBondContact O-CB 3.26Å; F287-Y290 PolarHBondContact O-N 2.98Å; Y290-V293 PolarHBondContact O-N 2.85Å; Y290-T294 WeakPolarHBondContact O-CB 3.37Å; Y290-T294 PolarHBondContact O-N 2.86Å; Y290-T294 PolarHBondContact O-OG1 3.35Å; Y290-V314 HydrophobicContact CD2-CG2 3.89Å; Y290-V314 HydrophobicContact CE2-CG2 4.14Å; Y290-R318 HydrophobicContact CD1-CB 3.9Å; Y290-R318 HydrophobicContact CD1-CG 4.35Å; Y290-R318 HydrophobicContact CD2-CG 4.49Å; Y290-R318 HydrophobicContact CE1-CB 4.08Å; Y290-R318 HydrophobicContact CE1-CG 4.14Å; Y290-R318 HydrophobicContact CE2-CG 4.33Å; Y290-R318 HydrophobicContact CG-CB 4.2Å; Y290-R318 PolarHBondContact OH-NH1 3.32Å |
| 291 | A | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.8 | -40.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V207 L249 F287 H289 T294 Y295 | V207-A291 HydrophobicContact CG2-CB 3.77Å; L249-A291 HydrophobicContact CD1-CB 3.98Å; L249-A291 HydrophobicContact CD2-CB 3.58Å; L249-A291 HydrophobicContact CG-CB 4.46Å; F287-A291 HydrophobicContact CD1-CB 4.33Å; F287-A291 HydrophobicContact CE1-CB 4.03Å; F287-A291 WeakPolarHBondContact O-CB 3.32Å; F287-A291 PolarHBondContact O-N 2.9Å; H289-A291 VanDerWaalsContact C-N 3.33Å; H289-A291 PolarHBondContact O-N 2.85Å; A291-T294 PolarHBondContact O-N 2.92Å; A291-Y295 WeakPolarHBondContact O-CB 3.45Å; A291-Y295 PolarHBondContact O-N 2.91Å |
| 292 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.3 | -42.9 | 174.9 | -174 | 61.2 | 0 | 0 | 0 | 111.9 | W13 L249 L252 I253 V256 P262 I264 L288 H289 T294 Y295 I296 | W13-L292 HydrophobicContact CE3-CD2 4.4Å; W13-L292 HydrophobicContact CH2-CB 4.14Å; W13-L292 HydrophobicContact CH2-CD2 3.75Å; W13-L292 HydrophobicContact CH2-CG 4.14Å; W13-L292 HydrophobicContact CZ2-CD2 4.12Å; W13-L292 HydrophobicContact CZ3-CB 4.21Å; W13-L292 HydrophobicContact CZ3-CD2 3.89Å; W13-L292 HydrophobicContact CZ3-CG 3.95Å; L249-L292 HydrophobicContact CD1-CB 4.16Å; L252-L292 HydrophobicContact CB-CD1 4.07Å; L252-L292 HydrophobicContact CB-CD2 3.97Å; L252-L292 HydrophobicContact CD1-CD2 4.36Å; L252-L292 HydrophobicContact CD2-CD2 4.41Å; L252-L292 HydrophobicContact CG-CD2 4.48Å; I253-L292 HydrophobicContact CG1-CD1 4.28Å; V256-L292 HydrophobicContact CG1-CD1 4.26Å; V256-L292 HydrophobicContact CG2-CD1 4.21Å; P262-L292 HydrophobicContact CB-CD2 3.8Å; P262-L292 HydrophobicContact CG-CD2 3.94Å; I264-L292 HydrophobicContact CD1-CD2 4.22Å; L288-L292 PolarHBondContact O-N 3.03Å; L288-L292 VanDerWaalsContact O-N 3.11Å; H289-L292 PolarHBondContact O-N 3.29Å; L292-T294 VanDerWaalsContact C-N 3.32Å; L292-T294 PolarHBondContact O-N 3.15Å; L292-Y295 PolarHBondContact O-N 2.9Å; L292-I296 HydrophobicContact CD1-CD1 4.31Å; L292-I296 HydrophobicContact CG-CD1 4.02Å; L292-I296 VanDerWaalsContact O-CG1 3.31Å; L292-I296 WeakPolarHBondContact O-CG1 3.42Å; L292-I296 PolarHBondContact O-N 3.49Å |
| 293 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.1 | -48.6 | 172.7 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | W13 V14 V17 H289 Y290 Y295 I296 V297 V310 V314 | W13-V293 HydrophobicContact CE3-CG2 4.46Å; W13-V293 HydrophobicContact CH2-CG2 4.04Å; W13-V293 HydrophobicContact CZ3-CG2 3.52Å; V14-V293 HydrophobicContact CG1-CG1 4.09Å; V14-V293 HydrophobicContact CG2-CG1 4.44Å; V14-V293 HydrophobicContact CG2-CG2 4.38Å; V17-V293 HydrophobicContact CB-CG2 4.46Å; V17-V293 HydrophobicContact CG1-CG2 4.1Å; H289-V293 WeakPolarHBondContact O-CG2 3.43Å; H289-V293 PolarHBondContact O-N 3.25Å; Y290-V293 PolarHBondContact O-N 2.85Å; V293-Y295 VanDerWaalsContact C-N 3.33Å; V293-Y295 PolarHBondContact O-N 3.11Å; V293-I296 PolarHBondContact O-N 3.45Å; V293-V297 HydrophobicContact CG1-CG2 3.99Å; V293-V297 WeakPolarHBondContact O-CB 3.48Å; V293-V297 VanDerWaalsContact O-CG2 3.24Å; V293-V297 WeakPolarHBondContact O-CG2 3.42Å; V293-V297 PolarHBondContact O-N 3.36Å; V293-V310 HydrophobicContact CG1-CG1 3.68Å; V293-V314 HydrophobicContact CB-CG2 4.43Å; V293-V314 HydrophobicContact CG1-CG2 3.87Å |
| 294 | T | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | -180 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | V207 L211 Y290 A291 L292 I296 V297 N298 | V207-T294 HydrophobicContact CG1-CG2 3.94Å; V207-T294 HydrophobicContact CG2-CG2 4.27Å; L211-T294 HydrophobicContact CD1-CG2 4.27Å; Y290-T294 WeakPolarHBondContact O-CB 3.37Å; Y290-T294 PolarHBondContact O-N 2.86Å; Y290-T294 PolarHBondContact O-OG1 3.35Å; A291-T294 PolarHBondContact O-N 2.92Å; L292-T294 VanDerWaalsContact C-N 3.32Å; L292-T294 PolarHBondContact O-N 3.15Å; T294-I296 PolarHBondContact O-N 3.17Å; T294-V297 PolarHBondContact O-N 3.11Å; T294-N298 WeakPolarHBondContact O-CB 3.38Å; T294-N298 PolarHBondContact O-N 2.88Å; T294-N298 PolarHBondContact O-ND2 3.38Å |
| 295 | Y | 97 | Very high | 95.7 | Very high | 17 Ų | 17 | 28.8 Ų | 28.8 | 7% | 0.067 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 175.4 | 174.8 | -92.1 | 0 | 0 | 0 | 112.3 | M1 F4 L211 I253 V256 N257 A291 L292 V293 N298 N299 | M1-Y295 HydrophobicContact CE-CD2 4.49Å; M1-Y295 HydrophobicContact CE-CE2 3.35Å; M1-Y295 VanDerWaalsContact CE-CZ 3.48Å; M1-Y295 WeakPolarHBondContact CE-OH 3.34Å; F4-Y295 HydrophobicContact CE2-CD1 4.4Å; F4-Y295 AromaticContact CE2-CE1 3.95Å; F4-Y295 HydrophobicContact CE2-CE1 3.95Å; F4-Y295 HydrophobicContact CZ-CE1 4.08Å; L211-Y295 HydrophobicContact CD2-CD2 4.19Å; I253-Y295 HydrophobicContact CB-CE1 4.46Å; I253-Y295 HydrophobicContact CD1-CD2 3.82Å; I253-Y295 HydrophobicContact CD1-CE2 4.17Å; I253-Y295 HydrophobicContact CD1-CG 4.06Å; I253-Y295 HydrophobicContact CG1-CD1 3.95Å; I253-Y295 HydrophobicContact CG1-CD2 4.04Å; I253-Y295 HydrophobicContact CG1-CE1 4.18Å; I253-Y295 HydrophobicContact CG1-CE2 4.25Å; I253-Y295 HydrophobicContact CG1-CG 3.88Å; I253-Y295 HydrophobicContact CG2-CD2 4.45Å; I253-Y295 HydrophobicContact CG2-CE1 3.9Å; I253-Y295 HydrophobicContact CG2-CE2 3.8Å; V256-Y295 HydrophobicContact CG2-CD1 4.26Å; V256-Y295 HydrophobicContact CG2-CE1 3.98Å; N257-Y295 PolarHBondContact ND2-OH 3.1Å; N257-Y295 WeakPolarHBondContact OD1-CE1 3.13Å; N257-Y295 PolarHBondContact OD1-OH 3.31Å; A291-Y295 WeakPolarHBondContact O-CB 3.45Å; A291-Y295 PolarHBondContact O-N 2.91Å; L292-Y295 PolarHBondContact O-N 2.9Å; V293-Y295 VanDerWaalsContact C-N 3.33Å; V293-Y295 PolarHBondContact O-N 3.11Å; Y295-N298 PolarHBondContact O-N 3.34Å; Y295-N299 PolarHBondContact O-N 2.93Å; Y295-N299 PolarHBondContact O-ND2 3Å |
| 296 | I | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | -179 | -65.1 | 163.9 | 0 | 0 | 0 | 110.7 | F4 A10 V11 W13 V14 V256 L292 V293 T294 N298 N299 C300 | F4-I296 HydrophobicContact CD2-CB 4.35Å; F4-I296 HydrophobicContact CD2-CG2 3.87Å; F4-I296 HydrophobicContact CE2-CB 4.4Å; F4-I296 HydrophobicContact CE2-CG1 4.27Å; F4-I296 HydrophobicContact CE2-CG2 4.36Å; F4-I296 HydrophobicContact CG-CG2 4.32Å; A10-I296 HydrophobicContact CB-CD1 4.02Å; A10-I296 HydrophobicContact CB-CG1 4.13Å; A10-I296 HydrophobicContact CB-CG2 3.89Å; V11-I296 HydrophobicContact CG2-CG2 4.45Å; W13-I296 HydrophobicContact CE3-CD1 3.94Å; W13-I296 HydrophobicContact CZ3-CD1 4.24Å; V14-I296 HydrophobicContact CG2-CB 3.83Å; V14-I296 HydrophobicContact CG2-CD1 3.65Å; V14-I296 HydrophobicContact CG2-CG1 4.36Å; V14-I296 HydrophobicContact CG2-CG2 3.64Å; V256-I296 HydrophobicContact CG1-CD1 4.25Å; V256-I296 HydrophobicContact CG2-CG1 4.43Å; L292-I296 HydrophobicContact CD1-CD1 4.31Å; L292-I296 HydrophobicContact CG-CD1 4.02Å; L292-I296 VanDerWaalsContact O-CG1 3.31Å; L292-I296 WeakPolarHBondContact O-CG1 3.42Å; L292-I296 PolarHBondContact O-N 3.49Å; V293-I296 PolarHBondContact O-N 3.45Å; T294-I296 PolarHBondContact O-N 3.17Å; I296-N298 VanDerWaalsContact C-N 3.32Å; I296-N298 PolarHBondContact O-N 3.27Å; I296-N299 CarbonylContact O-C 3.54Å; I296-N299 PolarHBondContact O-N 3.44Å; I296-N299 VanDerWaalsContact O-N 3.09Å; I296-C300 WeakPolarHBondContact O-CB 3.49Å; I296-C300 PolarHBondContact O-N 3.25Å |
| 297 | V | 95.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 178.5 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | V14 V293 T294 N299 C300 W306 K307 V310 L311 | V14-V297 HydrophobicContact CG1-CG2 4.47Å; V293-V297 HydrophobicContact CG1-CG2 3.99Å; V293-V297 WeakPolarHBondContact O-CB 3.48Å; V293-V297 VanDerWaalsContact O-CG2 3.24Å; V293-V297 WeakPolarHBondContact O-CG2 3.42Å; V293-V297 PolarHBondContact O-N 3.36Å; T294-V297 PolarHBondContact O-N 3.11Å; V297-N299 PolarHBondContact O-N 2.88Å; V297-C300 PolarHBondContact O-SG 2.98Å; V297-C300 VanDerWaalsContact O-SG 3.38Å; V297-W306 HydrophobicContact CG2-CH2 4.34Å; V297-W306 HydrophobicContact CG2-CZ3 3.94Å; V297-K307 HydrophobicContact CG1-CB 3.54Å; V297-K307 HydrophobicContact CG1-CD 4.17Å; V297-K307 HydrophobicContact CG1-CG 3.79Å; V297-K307 WeakPolarHBondContact O-CE 3.44Å; V297-V310 HydrophobicContact CG2-CB 4.45Å; V297-V310 HydrophobicContact CG2-CG1 3.8Å; V297-L311 HydrophobicContact CB-CD2 4.46Å; V297-L311 HydrophobicContact CG1-CD1 3.85Å; V297-L311 HydrophobicContact CG1-CD2 4.4Å; V297-L311 HydrophobicContact CG1-CG 4.03Å; V297-L311 HydrophobicContact CG2-CD2 4.4Å |
| 298 | N | 94.2 | Very high | 95.8 | Very high | 75 Ų | 75 | 33.3 Ų | 33.3 | 40% | 0.401 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.6 | -23.5 | 177.7 | -72.3 | -10.2 | 0 | 0 | 0 | 112.8 | H208 T294 Y295 I296 | H208-N298 PolarHBondContact CD2-ND2 2.68Å; H208-N298 PolarHBondContact NE2-ND2 3.16Å; T294-N298 WeakPolarHBondContact O-CB 3.38Å; T294-N298 PolarHBondContact O-N 2.88Å; T294-N298 PolarHBondContact O-ND2 3.38Å; Y295-N298 PolarHBondContact O-N 3.34Å; I296-N298 VanDerWaalsContact C-N 3.32Å; I296-N298 PolarHBondContact O-N 3.27Å |
| 299 | N | 95.5 | Very high | 95.8 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 14.5 | -176.4 | -69.7 | -83 | 0 | 0 | 0 | 113.7 | M1 L3 F4 Y295 I296 V297 | M1-N299 WeakPolarHBondContact CE-OD1 3.4Å; L3-N299 WeakPolarHBondContact CA-O 3.08Å; F4-N299 HydrophobicContact CD2-CB 3.89Å; F4-N299 WeakPolarHBondContact CD2-O 3.25Å; F4-N299 HydrophobicContact CE2-CB 3.78Å; F4-N299 PolarHBondContact N-O 3.21Å; Y295-N299 PolarHBondContact O-N 2.93Å; Y295-N299 PolarHBondContact O-ND2 3Å; I296-N299 CarbonylContact O-C 3.54Å; I296-N299 PolarHBondContact O-N 3.44Å; I296-N299 VanDerWaalsContact O-N 3.09Å; V297-N299 PolarHBondContact O-N 2.88Å |
| 300 | C | 95 | Very high | 95.7 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 155.4 | 175.3 | 79 | 0 | 0 | 0 | 0 | 112.7 | F4 V11 I296 V297 L302 K307 | F4-C300 HydrophobicContact CB-CB 3.85Å; F4-C300 CarbonylContact O-C 3.54Å; F4-C300 WeakPolarHBondContact O-CA 3.27Å; F4-C300 WeakPolarHBondContact O-CB 3.43Å; V11-C300 HydrophobicContact CG2-CB 4.35Å; I296-C300 WeakPolarHBondContact O-CB 3.49Å; I296-C300 PolarHBondContact O-N 3.25Å; V297-C300 PolarHBondContact O-SG 2.98Å; V297-C300 VanDerWaalsContact O-SG 3.38Å; C300-L302 VanDerWaalsContact C-N 3.31Å; C300-L302 HydrophobicContact CB-CG 4.39Å; C300-K307 WeakPolarHBondContact O-CE 3.32Å; C300-K307 PolarHBondContact O-NZ 2.73Å; C300-K307 WeakPolarHBondContact SG-CE 3.46Å |
| 301 | I | 95.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 37 Ų | 37 | 56% | 0.559 | 19% | 0.189 | S | C | * | . | trans | -92.7 | 14.8 | 177.6 | 56 | 165.6 | 0 | 0 | 0 | 113.2 | L3 F4 D5 | L3-I301 HydrophobicContact CB-CG2 3.75Å; L3-I301 HydrophobicContact CD1-CG2 3.9Å; L3-I301 HydrophobicContact CD2-CG2 3.87Å; L3-I301 HydrophobicContact CG-CG2 4.04Å; F4-I301 WeakPolarHBondContact O-CG1 3.38Å; F4-I301 PolarHBondContact O-N 2.92Å; D5-I301 HydrophobicContact CB-CD1 4.01Å; D5-I301 HydrophobicContact CB-CG1 4.18Å | ||
| 302 | L | 95.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -77.1 | 158.1 | -179.2 | -60 | 179.8 | 0 | 0 | 0 | 112.2 | D6 V11 C300 W306 K307 | D6-L302 HydrophobicContact CB-CD2 4.01Å; V11-L302 HydrophobicContact CG1-CD1 3.76Å; V11-L302 HydrophobicContact CG2-CD1 3.93Å; C300-L302 VanDerWaalsContact C-N 3.31Å; C300-L302 HydrophobicContact CB-CG 4.39Å; L302-W306 HydrophobicContact CB-CB 4.49Å; L302-W306 HydrophobicContact CB-CD2 4.11Å; L302-W306 HydrophobicContact CB-CE3 3.84Å; L302-W306 HydrophobicContact CB-CG 4.4Å; L302-W306 HydrophobicContact CB-CZ3 4.47Å; L302-W306 HydrophobicContact CD1-CD2 3.53Å; L302-W306 HydrophobicContact CD1-CE3 3.58Å; L302-W306 HydrophobicContact CD1-CG 4.24Å; L302-W306 HydrophobicContact CD1-CH2 3.74Å; L302-W306 HydrophobicContact CD1-CZ2 3.69Å; L302-W306 HydrophobicContact CD1-CZ3 3.7Å; L302-W306 HydrophobicContact CG-CD2 4.48Å; L302-W306 HydrophobicContact CG-CE3 4.34Å; L302-K307 VanDerWaalsContact O-CE 3.24Å; L302-K307 WeakPolarHBondContact O-CE 3.2Å |
| 303 | P | 96.3 | Very high | 95.1 | Very high | 91 Ų | 91 | 45.6 Ų | 45.6 | 59% | 0.591 | 24% | 0.238 | S | C | * | . | trans | -56.8 | 145.8 | 179.8 | -25.5 | 35 | 0 | 0 | 0 | 112.8 | Q305 W306 K307 | P303-Q305 PolarHBondContact O-N 2.7Å; P303-Q305 VanDerWaalsContact O-N 3.15Å; P303-W306 WeakPolarHBondContact O-CB 3.41Å; P303-W306 PolarHBondContact O-N 2.75Å; P303-K307 PolarHBondContact O-N 3Å | ||
| 304 | Q | 94.6 | Very high | 94.9 | Very high | 110 Ų | 110 | 45.6 Ų | 45.6 | 51% | 0.514 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.1 | -36.1 | 179.4 | -172 | 60.1 | 41.5 | 0 | 0 | 112.7 | W306 K307 D308 | Q304-W306 VanDerWaalsContact C-N 3.31Å; Q304-W306 PolarHBondContact O-N 2.69Å; Q304-K307 WeakPolarHBondContact O-CB 3.44Å; Q304-K307 PolarHBondContact O-N 3.27Å; Q304-K307 VanDerWaalsContact O-N 3.09Å; Q304-D308 PolarHBondContact NE2-OD1 3.04Å; Q304-D308 VanDerWaalsContact O-CG 3.3Å; Q304-D308 PolarHBondContact O-N 3.07Å |
| 305 | Q | 95.6 | Very high | 94.6 | Very high | 102 Ų | 102 | 47 Ų | 47 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.5 | -44.2 | 175.2 | -174.8 | 61.1 | 48.6 | 0 | 0 | 112.3 | P303 K307 D308 D309 | P303-Q305 PolarHBondContact O-N 2.7Å; P303-Q305 VanDerWaalsContact O-N 3.15Å; Q305-K307 VanDerWaalsContact C-N 3.32Å; Q305-K307 PolarHBondContact O-N 3.31Å; Q305-D308 PolarHBondContact O-N 3.27Å; Q305-D309 PolarHBondContact NE2-OD1 2.66Å; Q305-D309 PolarHBondContact NE2-OD2 2.75Å; Q305-D309 WeakPolarHBondContact O-CB 3.5Å; Q305-D309 PolarHBondContact O-N 2.93Å |
| 306 | W | 95.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 19% | 0.193 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.9 | 178.6 | 93.4 | 0 | 0 | 0 | 111.2 | V11 V14 N15 V297 L302 P303 Q304 D309 V310 | V11-W306 HydrophobicContact CG1-CH2 4.32Å; V11-W306 HydrophobicContact CG1-CZ2 3.93Å; V11-W306 HydrophobicContact CG2-CH2 4.45Å; V14-W306 HydrophobicContact CB-CH2 4.34Å; V14-W306 HydrophobicContact CG1-CH2 3.68Å; V14-W306 HydrophobicContact CG1-CZ2 3.99Å; N15-W306 WeakPolarHBondContact OD1-CZ2 3.37Å; N15-W306 PolarHBondContact OD1-NE1 2.81Å; V297-W306 HydrophobicContact CG2-CH2 4.34Å; V297-W306 HydrophobicContact CG2-CZ3 3.94Å; L302-W306 HydrophobicContact CB-CB 4.49Å; L302-W306 HydrophobicContact CB-CD2 4.11Å; L302-W306 HydrophobicContact CB-CE3 3.84Å; L302-W306 HydrophobicContact CB-CG 4.4Å; L302-W306 HydrophobicContact CB-CZ3 4.47Å; L302-W306 HydrophobicContact CD1-CD2 3.53Å; L302-W306 HydrophobicContact CD1-CE3 3.58Å; L302-W306 HydrophobicContact CD1-CG 4.24Å; L302-W306 HydrophobicContact CD1-CH2 3.74Å; L302-W306 HydrophobicContact CD1-CZ2 3.69Å; L302-W306 HydrophobicContact CD1-CZ3 3.7Å; L302-W306 HydrophobicContact CG-CD2 4.48Å; L302-W306 HydrophobicContact CG-CE3 4.34Å; P303-W306 WeakPolarHBondContact O-CB 3.41Å; P303-W306 PolarHBondContact O-N 2.75Å; Q304-W306 VanDerWaalsContact C-N 3.31Å; Q304-W306 PolarHBondContact O-N 2.69Å; W306-D309 PolarHBondContact O-N 3.07Å; W306-V310 HydrophobicContact CD2-CG2 3.94Å; W306-V310 HydrophobicContact CE3-CG2 4.23Å; W306-V310 HydrophobicContact CH2-CG2 3.97Å; W306-V310 HydrophobicContact CZ2-CG2 3.65Å; W306-V310 HydrophobicContact CZ3-CG2 4.23Å; W306-V310 WeakPolarHBondContact O-CB 2.82Å; W306-V310 WeakPolarHBondContact O-CG2 3.42Å; W306-V310 PolarHBondContact O-N 3.32Å |
| 307 | K | 95.7 | Very high | 93.9 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 178.1 | -60.2 | -173.4 | 175 | -175.2 | 0 | 110.9 | V297 C300 L302 P303 Q304 Q305 L311 | V297-K307 HydrophobicContact CG1-CB 3.54Å; V297-K307 HydrophobicContact CG1-CD 4.17Å; V297-K307 HydrophobicContact CG1-CG 3.79Å; V297-K307 WeakPolarHBondContact O-CE 3.44Å; C300-K307 WeakPolarHBondContact O-CE 3.32Å; C300-K307 PolarHBondContact O-NZ 2.73Å; C300-K307 WeakPolarHBondContact SG-CE 3.46Å; L302-K307 VanDerWaalsContact O-CE 3.24Å; L302-K307 WeakPolarHBondContact O-CE 3.2Å; P303-K307 PolarHBondContact O-N 3Å; Q304-K307 WeakPolarHBondContact O-CB 3.44Å; Q304-K307 PolarHBondContact O-N 3.27Å; Q304-K307 VanDerWaalsContact O-N 3.09Å; Q305-K307 VanDerWaalsContact C-N 3.32Å; Q305-K307 PolarHBondContact O-N 3.31Å; K307-L311 WeakPolarHBondContact O-CB 3.45Å; K307-L311 VanDerWaalsContact O-CG 3.26Å; K307-L311 WeakPolarHBondContact O-CG 3.18Å; K307-L311 PolarHBondContact O-N 3.36Å |
| 308 | D | 94.2 | Very high | 93.3 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 17% | 0.171 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | -179.9 | -63.8 | -17.3 | 0 | 0 | 0 | 111.3 | Q304 Q305 V310 L311 A312 | Q304-D308 PolarHBondContact NE2-OD1 3.04Å; Q304-D308 VanDerWaalsContact O-CG 3.3Å; Q304-D308 PolarHBondContact O-N 3.07Å; Q305-D308 PolarHBondContact O-N 3.27Å; D308-V310 PolarHBondContact O-N 2.97Å; D308-L311 PolarHBondContact O-N 2.73Å; D308-A312 WeakPolarHBondContact O-CB 3.36Å; D308-A312 PolarHBondContact O-N 2.86Å |
| 309 | D | 94.1 | Very high | 92.2 | Very high | 73 Ų | 73 | 50.1 Ų | 50.1 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 179.4 | -70.2 | -20.9 | 0 | 0 | 0 | 112 | Q305 W306 K313 | Q305-D309 PolarHBondContact NE2-OD1 2.66Å; Q305-D309 PolarHBondContact NE2-OD2 2.75Å; Q305-D309 WeakPolarHBondContact O-CB 3.5Å; Q305-D309 PolarHBondContact O-N 2.93Å; W306-D309 PolarHBondContact O-N 3.07Å; D309-K313 VanDerWaalsContact O-CG 3.28Å; D309-K313 WeakPolarHBondContact O-CG 3.18Å; D309-K313 PolarHBondContact O-N 2.82Å; D309-K313 VanDerWaalsContact O-N 3.07Å |
| 310 | V | 94.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -50.8 | 176.6 | 164.7 | 0 | 0 | 0 | 0 | 110.7 | V14 A18 V293 V297 W306 D308 A312 K313 V314 | V14-V310 HydrophobicContact CG1-CB 4.43Å; V14-V310 HydrophobicContact CG1-CG1 3.39Å; V14-V310 HydrophobicContact CG1-CG2 4.16Å; A18-V310 HydrophobicContact CB-CG1 4.4Å; A18-V310 HydrophobicContact CB-CG2 4.48Å; V293-V310 HydrophobicContact CG1-CG1 3.68Å; V297-V310 HydrophobicContact CG2-CB 4.45Å; V297-V310 HydrophobicContact CG2-CG1 3.8Å; W306-V310 HydrophobicContact CD2-CG2 3.94Å; W306-V310 HydrophobicContact CE3-CG2 4.23Å; W306-V310 HydrophobicContact CH2-CG2 3.97Å; W306-V310 HydrophobicContact CZ2-CG2 3.65Å; W306-V310 HydrophobicContact CZ3-CG2 4.23Å; W306-V310 WeakPolarHBondContact O-CB 2.82Å; W306-V310 WeakPolarHBondContact O-CG2 3.42Å; W306-V310 PolarHBondContact O-N 3.32Å; D308-V310 PolarHBondContact O-N 2.97Å; V310-A312 VanDerWaalsContact C-N 3.29Å; V310-A312 PolarHBondContact O-N 3.21Å; V310-K313 PolarHBondContact O-N 2.91Å; V310-K313 VanDerWaalsContact O-N 3.13Å; V310-V314 WeakPolarHBondContact O-CG2 3.45Å; V310-V314 PolarHBondContact O-N 2.8Å; V310-V314 VanDerWaalsContact O-N 3.09Å |
| 311 | L | 93.2 | Very high | 89 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -37.2 | -177.4 | -71.1 | 172.1 | 0 | 0 | 0 | 111.9 | V297 K307 D308 V314 A315 | V297-L311 HydrophobicContact CB-CD2 4.46Å; V297-L311 HydrophobicContact CG1-CD1 3.85Å; V297-L311 HydrophobicContact CG1-CD2 4.4Å; V297-L311 HydrophobicContact CG1-CG 4.03Å; V297-L311 HydrophobicContact CG2-CD2 4.4Å; K307-L311 WeakPolarHBondContact O-CB 3.45Å; K307-L311 VanDerWaalsContact O-CG 3.26Å; K307-L311 WeakPolarHBondContact O-CG 3.18Å; K307-L311 PolarHBondContact O-N 3.36Å; D308-L311 PolarHBondContact O-N 2.73Å; L311-V314 PolarHBondContact O-N 2.98Å; L311-A315 PolarHBondContact O-N 2.8Å; L311-A315 VanDerWaalsContact O-N 3.12Å |
| 312 | A | 91.2 | Very high | 87.1 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D308 V310 V314 A315 | D308-A312 WeakPolarHBondContact O-CB 3.36Å; D308-A312 PolarHBondContact O-N 2.86Å; V310-A312 VanDerWaalsContact C-N 3.29Å; V310-A312 PolarHBondContact O-N 3.21Å; A312-V314 VanDerWaalsContact C-N 3.31Å; A312-V314 PolarHBondContact O-N 2.98Å; A312-A315 WeakPolarHBondContact O-CB 3.44Å; A312-A315 PolarHBondContact O-N 2.79Å |
| 313 | K | 92.8 | Very high | 85.1 | Confident | 117 Ų | 117 | 59 Ų | 59 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.3 | -30.5 | -180 | -72.9 | 179.2 | -173.3 | -177.3 | 0 | 113.6 | A18 D309 V310 Y316 | A18-K313 HydrophobicContact CB-CB 4.3Å; A18-K313 HydrophobicContact CB-CD 4.4Å; A18-K313 VanDerWaalsContact O-CD 3.23Å; A18-K313 WeakPolarHBondContact O-CD 3.21Å; D309-K313 VanDerWaalsContact O-CG 3.28Å; D309-K313 WeakPolarHBondContact O-CG 3.18Å; D309-K313 PolarHBondContact O-N 2.82Å; D309-K313 VanDerWaalsContact O-N 3.07Å; V310-K313 PolarHBondContact O-N 2.91Å; V310-K313 VanDerWaalsContact O-N 3.13Å; K313-Y316 VanDerWaalsContact O-CD1 3.23Å; K313-Y316 WeakPolarHBondContact O-CD1 3.24Å; K313-Y316 WeakPolarHBondContact O-CE1 3.49Å |
| 314 | V | 93 | Very high | 83.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -97.9 | 2 | 179.5 | -56.8 | 0 | 0 | 0 | 0 | 114 | V17 A18 Y290 V293 V310 L311 A312 Y316 L317 | V17-V314 HydrophobicContact CG1-CG1 4.06Å; A18-V314 HydrophobicContact CB-CG1 4.13Å; Y290-V314 HydrophobicContact CD2-CG2 3.89Å; Y290-V314 HydrophobicContact CE2-CG2 4.14Å; V293-V314 HydrophobicContact CB-CG2 4.43Å; V293-V314 HydrophobicContact CG1-CG2 3.87Å; V310-V314 WeakPolarHBondContact O-CG2 3.45Å; V310-V314 PolarHBondContact O-N 2.8Å; V310-V314 VanDerWaalsContact O-N 3.09Å; L311-V314 PolarHBondContact O-N 2.98Å; A312-V314 VanDerWaalsContact C-N 3.31Å; A312-V314 PolarHBondContact O-N 2.98Å; V314-Y316 PolarHBondContact O-N 3.01Å; V314-L317 HydrophobicContact CB-CD1 4.06Å; V314-L317 HydrophobicContact CG1-CD1 4.49Å; V314-L317 WeakPolarHBondContact O-CB 2.93Å; V314-L317 PolarHBondContact O-N 3.07Å |
| 315 | A | 90.1 | Very high | 81.1 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -60.4 | -22 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L311 A312 L317 R318 | L311-A315 PolarHBondContact O-N 2.8Å; L311-A315 VanDerWaalsContact O-N 3.12Å; A312-A315 WeakPolarHBondContact O-CB 3.44Å; A312-A315 PolarHBondContact O-N 2.79Å; A315-L317 PolarHBondContact O-N 3.26Å; A315-R318 WeakPolarHBondContact O-CG 3.28Å; A315-R318 PolarHBondContact O-N 3.37Å |
| 316 | Y | 89.1 | Confident | 79.5 | Confident | 45 Ų | 45 | 54 Ų | 54 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -68.8 | -17.9 | 174.9 | 73.9 | -86.8 | 0 | 0 | 0 | 113.2 | S21 N24 L25 K313 V314 R318 V319 | S21-Y316 PolarHBondContact O-OH 3.07Å; N24-Y316 PolarHBondContact ND2-OH 3.3Å; L25-Y316 HydrophobicContact CB-CD2 4.41Å; L25-Y316 HydrophobicContact CB-CE2 3.8Å; L25-Y316 HydrophobicContact CD1-CD2 4.3Å; L25-Y316 HydrophobicContact CD1-CE2 4.08Å; L25-Y316 HydrophobicContact CG-CE2 4.42Å; K313-Y316 VanDerWaalsContact O-CD1 3.23Å; K313-Y316 WeakPolarHBondContact O-CD1 3.24Å; K313-Y316 WeakPolarHBondContact O-CE1 3.49Å; V314-Y316 PolarHBondContact O-N 3.01Å; Y316-R318 PolarHBondContact O-N 3.32Å; Y316-V319 WeakPolarHBondContact O-CG2 3.11Å; Y316-V319 PolarHBondContact O-N 3.48Å |
| 317 | L | 90.9 | Very high | 77.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -75.1 | -7.3 | 179.9 | -65.5 | 178.7 | 0 | 0 | 0 | 113.6 | V17 L28 M286 F287 H289 V314 A315 | V17-L317 HydrophobicContact CG1-CD1 4.24Å; L28-L317 HydrophobicContact CD1-CD2 3.5Å; M286-L317 CarbonylContact C-O 3.42Å; M286-L317 HydrophobicContact CB-CB 4.42Å; M286-L317 HydrophobicContact CB-CD2 4.04Å; M286-L317 HydrophobicContact CG-CD2 4.19Å; F287-L317 PolarHBondContact N-O 3.01Å; H289-L317 HydrophobicContact CB-CD1 3.89Å; V314-L317 HydrophobicContact CB-CD1 4.06Å; V314-L317 HydrophobicContact CG1-CD1 4.49Å; V314-L317 WeakPolarHBondContact O-CB 2.93Å; V314-L317 PolarHBondContact O-N 3.07Å; A315-L317 PolarHBondContact O-N 3.26Å |
| 318 | R | 83.4 | Confident | 76.2 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -114.4 | 26 | 175.5 | 61.6 | 161.5 | -168.9 | -170.6 | 17.8 | 113 | F287 Y290 A315 Y316 N320 V321 S332 | F287-R318 HydrophobicContact CD2-CB 4.4Å; Y290-R318 HydrophobicContact CD1-CB 3.9Å; Y290-R318 HydrophobicContact CD1-CG 4.35Å; Y290-R318 HydrophobicContact CD2-CG 4.49Å; Y290-R318 HydrophobicContact CE1-CB 4.08Å; Y290-R318 HydrophobicContact CE1-CG 4.14Å; Y290-R318 HydrophobicContact CE2-CG 4.33Å; Y290-R318 HydrophobicContact CG-CB 4.2Å; Y290-R318 PolarHBondContact OH-NH1 3.32Å; A315-R318 WeakPolarHBondContact O-CG 3.28Å; A315-R318 PolarHBondContact O-N 3.37Å; Y316-R318 PolarHBondContact O-N 3.32Å; R318-N320 PolarHBondContact O-N 3.13Å; R318-V321 HydrophobicContact CB-CG2 4.12Å; R318-V321 WeakPolarHBondContact O-CB 3.39Å; R318-V321 WeakPolarHBondContact O-CG2 3.38Å; R318-V321 PolarHBondContact O-N 3.11Å; R318-V321 VanDerWaalsContact O-N 3.13Å; R318-S332 PolarHBondContact NH1-OG 2.86Å |
| 319 | V | 70.2 | Confident | 74.7 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 141 | 176.9 | 169.4 | 0 | 0 | 0 | 0 | 110 | Y316 V321 | Y316-V319 WeakPolarHBondContact O-CG2 3.11Å; Y316-V319 PolarHBondContact O-N 3.48Å; V319-V321 VanDerWaalsContact C-N 3.31Å; V319-V321 PolarHBondContact O-N 3.4Å |
| 320 | N | 61.8 | Low | 72.9 | Confident | 111 Ų | 111 | 59.6 Ų | 59.6 | 59% | 0.594 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 4.2 | -174.1 | -51.8 | -39.6 | 0 | 0 | 0 | 116.8 | R318 | R318-N320 PolarHBondContact O-N 3.13Š|
| 321 | V | 61 | Low | 71.1 | Confident | 22 Ų | 22 | 66 Ų | 66 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -79.6 | 123 | 164.7 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | L203 V205 F287 R318 V319 K323 | L203-V321 HydrophobicContact CB-CG2 3.9Å; L203-V321 HydrophobicContact CD1-CG2 3.8Å; L203-V321 HydrophobicContact CG-CG2 4.48Å; V205-V321 WeakPolarHBondContact O-CG1 3.27Å; F287-V321 HydrophobicContact CD2-CG2 4.49Å; R318-V321 HydrophobicContact CB-CG2 4.12Å; R318-V321 WeakPolarHBondContact O-CB 3.39Å; R318-V321 WeakPolarHBondContact O-CG2 3.38Å; R318-V321 PolarHBondContact O-N 3.11Å; R318-V321 VanDerWaalsContact O-N 3.13Å; V319-V321 VanDerWaalsContact C-N 3.31Å; V319-V321 PolarHBondContact O-N 3.4Å; V321-K323 PolarHBondContact O-N 3.13Å |
| 322 | P | 55.7 | Low | 69.1 | Low | 43 Ų | 43 | 66 Ų | 66 | 28% | 0.279 | 35% | 0.349 | S | S | . | . | trans | -51 | 133.1 | 175.3 | -26.6 | 34 | 0 | 0 | 0 | 110.4 | H201 N324 | H201-P322 WeakPolarHBondContact CD2-CD 3.45Å; H201-P322 VanDerWaalsContact CD2-CG 3.45Å; H201-P322 WeakPolarHBondContact CD2-CG 3.2Å; H201-P322 WeakPolarHBondContact NE2-CG 3.09Å; P322-N324 HydrophobicContact CB-CB 4.42Å; P322-N324 PolarHBondContact O-N 3.03Å | ||
| 323 | K | 54.1 | Low | 66.9 | Low | 183 Ų | 183 | 66.6 Ų | 66.6 | 80% | 0.796 | 35% | 0.346 | S | S | * | . | trans | -71.8 | 56.8 | 177.8 | -64.3 | -178.5 | 179.9 | 178.2 | 0 | 110.9 | V321 | V321-K323 PolarHBondContact O-N 3.13Š| ||
| 324 | N | 53.4 | Low | 64.3 | Low | 107 Ų | 107 | 64.8 Ų | 64.8 | 57% | 0.572 | 34% | 0.341 | S | S | * | . | trans | -135.1 | 149.1 | -166.3 | -79.2 | -23.8 | 0 | 0 | 0 | 117.1 | P322 C326 | P322-N324 HydrophobicContact CB-CB 4.42Å; P322-N324 PolarHBondContact O-N 3.03Å; N324-C326 PolarHBondContact O-N 3.38Å | ||
| 325 | A | 53 | Low | 61.7 | Low | 67 Ų | 67 | 67.2 Ų | 67.2 | 55% | 0.554 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 66.3 | -39.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | P327 | A325-P327 WeakPolarHBondContact O-CD 3.3Š|
| 326 | C | 62.8 | Low | 59.3 | Low | 25 Ų | 25 | 74 Ų | 74 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | trans | -80.6 | 124.1 | -175.7 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | C206 N324 L328 C329 R330 | C206-C326 HydrophobicContact CB-CB 4.45Å; C206-C326 WeakPolarHBondContact SG-CB 3.21Å; C206-C326 VanDerWaalsContact SG-SG 3.66Å; N324-C326 PolarHBondContact O-N 3.38Å; C326-L328 PolarHBondContact O-N 2.93Å; C326-C329 HydrophobicContact CB-CB 3.91Å; C326-C329 WeakPolarHBondContact O-CB 3.36Å; C326-C329 PolarHBondContact O-N 3.36Å; C326-R330 PolarHBondContact O-N 2.83Å | ||
| 327 | P | 58.2 | Low | 57 | Low | 91 Ų | 91 | 75.7 Ų | 75.7 | 59% | 0.591 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.5 | -36.8 | 177 | -25.8 | 34.6 | 0 | 0 | 0 | 113.1 | A325 R330 R331 | A325-P327 WeakPolarHBondContact O-CD 3.3Å; P327-R330 WeakPolarHBondContact O-CB 3.49Å; P327-R330 PolarHBondContact O-N 3.03Å; P327-R330 VanDerWaalsContact O-N 3.17Å; P327-R331 PolarHBondContact O-N 3.04Å |
| 328 | L | 62.9 | Low | 54.8 | Low | 84 Ų | 84 | 76.4 Ų | 76.4 | 44% | 0.44 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 177.4 | -58.6 | 176.1 | 0 | 0 | 0 | 112 | H208 C326 R330 R331 S332 | H208-L328 HydrophobicContact CB-CD1 4.36Å; H208-L328 WeakPolarHBondContact CE1-CB 3.29Å; C326-L328 PolarHBondContact O-N 2.93Å; L328-R330 PolarHBondContact O-N 2.8Å; L328-R331 PolarHBondContact O-N 2.88Å; L328-S332 PolarHBondContact O-N 2.8Å |
| 329 | C | 62.5 | Low | 52.9 | Low | 17 Ų | 17 | 79.4 Ų | 79.4 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.4 | -23.4 | 172.6 | -68.8 | 0 | 0 | 0 | 0 | 113 | H208 C326 S332 V333 | H208-C329 PolarHBondContact ND1-SG 2.92Å; C326-C329 HydrophobicContact CB-CB 3.91Å; C326-C329 WeakPolarHBondContact O-CB 3.36Å; C326-C329 PolarHBondContact O-N 3.36Å; C329-S332 PolarHBondContact O-OG 3.15Å; C329-S332 VanDerWaalsContact O-OG 3.09Å; C329-V333 VanDerWaalsContact O-CG2 3.27Å; C329-V333 WeakPolarHBondContact O-CG2 3.26Å |
| 330 | R | 57.9 | Low | 51.5 | Low | 117 Ų | 117 | 82.4 Ų | 82.4 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -78.5 | -41.4 | 174.7 | -70.3 | -175.7 | -175.9 | -174 | 2.4 | 111.8 | C326 P327 L328 S332 V333 M334 D342 | C326-R330 PolarHBondContact O-N 2.83Å; P327-R330 WeakPolarHBondContact O-CB 3.49Å; P327-R330 PolarHBondContact O-N 3.03Å; P327-R330 VanDerWaalsContact O-N 3.17Å; L328-R330 PolarHBondContact O-N 2.8Å; R330-S332 VanDerWaalsContact C-N 3.27Å; R330-S332 PolarHBondContact O-N 2.75Å; R330-V333 PolarHBondContact O-N 2.93Å; R330-V333 VanDerWaalsContact O-N 3.07Å; R330-M334 HydrophobicContact CB-CE 4.22Å; R330-M334 PolarHBondContact O-N 3.33Å; R330-M334 VanDerWaalsContact O-N 3.1Å; R330-D342 IonicContact NH1-OD2 3.95Å |
| 331 | R | 55.1 | Low | 50.7 | Low | 140 Ų | 140 | 84.3 Ų | 84.3 | 53% | 0.528 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.4 | -38.7 | 175.5 | -75.9 | -178.2 | 173.4 | 171.3 | 0.1 | 112.5 | P327 L328 V333 E339 | P327-R331 PolarHBondContact O-N 3.04Å; L328-R331 PolarHBondContact O-N 2.88Å; R331-V333 PolarHBondContact O-N 2.76Å; R331-E339 IonicContact CZ-OE1 3.32Å; R331-E339 IonicContact NE-OE1 3.7Å; R331-E339 PolarHBondContact NE-OE1 3.03Å; R331-E339 IonicContact NH2-OE1 3.27Å; R331-E339 PolarHBondContact NH2-OE1 3.18Å; R331-E339 VanDerWaalsContact NH2-OE1 3.16Å |
| 332 | S | 51.2 | Low | 49.9 | Very low | 9 Ų | 9 | 87.1 Ų | 87.1 | 6% | 0.063 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -2.2 | 176.8 | 85.6 | 0 | 0 | 0 | 0 | 114.9 | R318 L328 C329 R330 | R318-S332 PolarHBondContact NH1-OG 2.86Å; L328-S332 PolarHBondContact O-N 2.8Å; C329-S332 PolarHBondContact O-OG 3.15Å; C329-S332 VanDerWaalsContact O-OG 3.09Å; R330-S332 VanDerWaalsContact C-N 3.27Å; R330-S332 PolarHBondContact O-N 2.75Å |
| 333 | V | 46 | Very low | 49.5 | Very low | 76 Ų | 76 | 90.3 Ų | 90.3 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -27 | -173.3 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | C329 R330 R331 | C329-V333 VanDerWaalsContact O-CG2 3.27Å; C329-V333 WeakPolarHBondContact O-CG2 3.26Å; R330-V333 PolarHBondContact O-N 2.93Å; R330-V333 VanDerWaalsContact O-N 3.07Å; R331-V333 PolarHBondContact O-N 2.76Å |
| 334 | M | 37.5 | Very low | 49.1 | Very low | 79 Ų | 79 | 88.7 Ų | 88.7 | 39% | 0.389 | 47% | 0.469 | S | S | . | . | trans | -115 | 84.4 | -173.9 | -56.9 | -161.4 | -63.8 | 0 | 0 | 109 | R330 K336 A338 | R330-M334 HydrophobicContact CB-CE 4.22Å; R330-M334 PolarHBondContact O-N 3.33Å; R330-M334 VanDerWaalsContact O-N 3.1Å; M334-K336 PolarHBondContact O-N 2.8Å; M334-A338 HydrophobicContact CB-CB 3.62Å; M334-A338 HydrophobicContact CE-CB 3.19Å; M334-A338 HydrophobicContact CG-CB 3.95Å; M334-A338 HydrophobicContact SD-CB 3.16Å; M334-A338 WeakPolarHBondContact SD-CB 3.47Å | ||
| 335 | G | 38.5 | Very low | 48.7 | Very low | 52 Ų | 52 | 89.1 Ų | 89.1 | 54% | 0.536 | 47% | 0.471 | S | S | . | . | trans | -55.3 | 125.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | A337 | G335-A337 PolarHBondContact O-N 3.27Š| ||
| 336 | K | 40.2 | Very low | 48.4 | Very low | 173 Ų | 173 | 93.1 Ų | 93.1 | 75% | 0.752 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 32.9 | -26.3 | 173.9 | -71.5 | -173.1 | 177.2 | 178.7 | 0 | 122.2 | M334 A338 | M334-K336 PolarHBondContact O-N 2.8Å; K336-A338 PolarHBondContact O-N 3Å |
| 337 | A | 40.7 | Very low | 47.7 | Very low | 79 Ų | 79 | 98.7 Ų | 98.7 | 65% | 0.653 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G335 | G335-A337 PolarHBondContact O-N 3.27Š|
| 338 | A | 44.2 | Very low | 47.2 | Very low | 16 Ų | 16 | 99.8 Ų | 99.8 | 13% | 0.132 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -25.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | M334 K336 E340 K341 D342 | M334-A338 HydrophobicContact CB-CB 3.62Å; M334-A338 HydrophobicContact CE-CB 3.19Å; M334-A338 HydrophobicContact CG-CB 3.95Å; M334-A338 HydrophobicContact SD-CB 3.16Å; M334-A338 WeakPolarHBondContact SD-CB 3.47Å; K336-A338 PolarHBondContact O-N 3Å; A338-E340 PolarHBondContact O-N 2.77Å; A338-K341 PolarHBondContact O-N 3.03Å; A338-K341 VanDerWaalsContact O-N 3.13Å; A338-D342 PolarHBondContact O-N 3.3Å |
| 339 | E | 43.1 | Very low | 46.3 | Very low | 101 Ų | 101 | 104.8 Ų | 104.8 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.8 | -24.9 | 174.6 | -72.2 | -171 | 147.4 | 0 | 0 | 112 | R331 K341 N343 | R331-E339 IonicContact CZ-OE1 3.32Å; R331-E339 IonicContact NE-OE1 3.7Å; R331-E339 PolarHBondContact NE-OE1 3.03Å; R331-E339 IonicContact NH2-OE1 3.27Å; R331-E339 PolarHBondContact NH2-OE1 3.18Å; R331-E339 VanDerWaalsContact NH2-OE1 3.16Å; E339-K341 VanDerWaalsContact C-N 3.32Å; E339-K341 PolarHBondContact O-N 3.26Å; E339-N343 PolarHBondContact O-N 3.47Å |
| 340 | E | 42.2 | Very low | 45.1 | Very low | 139 Ų | 139 | 112.8 Ų | 112.8 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -74.7 | -17.6 | 171.9 | -73.5 | -173.4 | 168.9 | 0 | 0 | 114 | A338 K344 | A338-E340 PolarHBondContact O-N 2.77Å; E340-K344 WeakPolarHBondContact O-CG 3.44Å |
| 341 | K | 43.8 | Very low | 44.4 | Very low | 151 Ų | 151 | 120.2 Ų | 120.2 | 66% | 0.657 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -91.4 | -35.3 | 178.1 | -78.5 | -173.8 | 175.9 | -179.5 | 0 | 112.9 | A338 E339 K344 N345 | A338-K341 PolarHBondContact O-N 3.03Å; A338-K341 VanDerWaalsContact O-N 3.13Å; E339-K341 VanDerWaalsContact C-N 3.32Å; E339-K341 PolarHBondContact O-N 3.26Å; K341-K344 PolarHBondContact O-N 3.22Å; K341-N345 PolarHBondContact O-N 3.31Å |
| 342 | D | 45.7 | Very low | 43.9 | Very low | 80 Ų | 80 | 119.3 Ų | 119.3 | 43% | 0.428 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.2 | -38.6 | 176.6 | -82.6 | -14.8 | 0 | 0 | 0 | 111.6 | R330 A338 K344 N345 E346 | R330-D342 IonicContact NH1-OD2 3.95Å; A338-D342 PolarHBondContact O-N 3.3Å; D342-K344 VanDerWaalsContact C-N 3.28Å; D342-K344 PolarHBondContact O-N 3.34Å; D342-N345 PolarHBondContact O-N 3.45Å; D342-E346 PolarHBondContact O-N 3.02Å |
| 343 | N | 46.9 | Very low | 43.5 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.3 | -20 | 174.8 | -80.4 | -13.3 | 0 | 0 | 0 | 114.2 | E339 N347 | E339-N343 PolarHBondContact O-N 3.47Å; N343-N347 PolarHBondContact O-ND2 2.68Å |
| 344 | K | 46.2 | Very low | 43.3 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 65% | 0.648 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -84.4 | -22.3 | 173.3 | -80.3 | -179 | 179.5 | 174.1 | 0 | 113 | E340 K341 D342 V348 | E340-K344 WeakPolarHBondContact O-CG 3.44Å; K341-K344 PolarHBondContact O-N 3.22Å; D342-K344 VanDerWaalsContact C-N 3.28Å; D342-K344 PolarHBondContact O-N 3.34Å; K344-V348 WeakPolarHBondContact O-CG2 3.47Å |
| 345 | N | 45 | Very low | 43.7 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 62% | 0.615 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -91.7 | -23.7 | 179.4 | -83.4 | -17.3 | 0 | 0 | 0 | 113.8 | K341 D342 | K341-N345 PolarHBondContact O-N 3.31Å; D342-N345 PolarHBondContact O-N 3.45Å |
| 346 | E | 46.4 | Very low | 44 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.4 | -24.8 | 174 | -74 | -171.1 | 159 | 0 | 0 | 113.2 | D342 V348 | D342-E346 PolarHBondContact O-N 3.02Å; E346-V348 VanDerWaalsContact C-N 3.31Å; E346-V348 PolarHBondContact O-N 3.44Å |
| 347 | N | 47.3 | Very low | 44.2 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 4.4 | 176.9 | -77.7 | -33.1 | 0 | 0 | 0 | 115 | N343 | N343-N347 PolarHBondContact O-ND2 2.68Š|
| 348 | V | 48 | Very low | 44.5 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 70% | 0.697 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 9.4 | -179.7 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | K344 E346 | K344-V348 WeakPolarHBondContact O-CG2 3.47Å; E346-V348 VanDerWaalsContact C-N 3.31Å; E346-V348 PolarHBondContact O-N 3.44Å |
| 349 | K | 44.3 | Very low | 44.5 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -119.7 | 24.8 | 180 | -77.1 | -170.5 | 174.7 | -176.9 | 0 | 115.7 | ||
| 350 | Q | 37.5 | Very low | 44.6 | Very low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -128.2 | 87.8 | 167.3 | -70.1 | -176.6 | 0.8 | 0 | 0 | 109.7 | ||||
| 351 | Q | 42.6 | Very low | 44.9 | Very low | 273 Ų | 273 | 151 Ų | 151 | 100% | 1.276 | 73% | 0.733 | S | S | * | * | trans | -150.7 | 0 | 155.1 | -105.9 | -179.1 | 6.6 | 0 | 0 | 108.6 |
Retrieved 351 of 351 residues in 297.8 ms
(Link to these results)