| 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 | 81.7 | Confident | 72.9 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 21% | 0.207 | 27% | 0.268 | C | S | . | . | 0 | -55.7 | 0 | -64.4 | -52.3 | -83.5 | 0 | 0 | 113.4 | E3 Y6 L7 A26 L27 L30 M50 | M1-E3 VanDerWaalsContact C-N 3.3Å; M1-Y6 VanDerWaalsContact CE-CB 3.42Å; M1-Y6 HydrophobicContact CE-CD2 4.34Å; M1-Y6 HydrophobicContact CE-CG 3.87Å; M1-Y6 PolarHBondContact O-N 3.37Å; M1-Y6 HydrophobicContact SD-CD2 4.22Å; M1-Y6 HydrophobicContact SD-CG 4.35Å; M1-L7 HydrophobicContact CB-CD1 3.79Å; M1-L7 HydrophobicContact CB-CG 4.22Å; M1-L7 PolarHBondContact O-N 2.9Å; M1-A26 HydrophobicContact CE-CB 3.63Å; M1-A26 WeakPolarHBondContact CE-O 3.46Å; M1-L27 HydrophobicContact CE-CD2 4.29Å; M1-L30 HydrophobicContact CE-CB 4.02Å; M1-L30 HydrophobicContact CE-CD2 4.42Å; M1-L30 HydrophobicContact SD-CB 4.29Å; M1-L30 HydrophobicContact SD-CD1 4.42Å; M1-L30 HydrophobicContact SD-CD2 3.78Å; M1-L30 HydrophobicContact SD-CG 4.39Å; M1-M50 HydrophobicContact CG-CE 4.12Å; M1-M50 HydrophobicContact SD-CE 4.33Å | |||
| 2 | V | 79.9 | Confident | 70.4 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.8 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 113 | L7 R9 Y62 | V2-L7 HydrophobicContact CG2-CB 3.95Å; V2-L7 HydrophobicContact CG2-CD1 4.46Å; V2-R9 HydrophobicContact CG1-CG 4.01Å; V2-Y62 WeakPolarHBondContact CA-OH 3.08Å; V2-Y62 WeakPolarHBondContact O-CE2 3.12Å; V2-Y62 PolarHBondContact O-OH 3.12Å |
| 3 | E | 78.7 | Confident | 68.1 | Low | 77 Ų | 77 | 64.5 Ų | 64.5 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -40.9 | 176.4 | -173.4 | 155.5 | -137.1 | 0 | 0 | 110.8 | M1 I200 | M1-E3 VanDerWaalsContact C-N 3.3Å; E3-I200 HydrophobicContact CG-CD1 4.46Å; E3-I200 WeakPolarHBondContact OE1-CD1 3.31Å |
| 4 | F | 84.3 | Confident | 66.6 | Low | 20 Ų | 20 | 66.6 Ų | 66.6 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9.5 | -170.2 | -54.2 | -59.6 | 0 | 0 | 0 | 115.8 | Y6 R54 D59 I60 I200 | F4-Y6 HydrophobicContact CB-CD2 3.95Å; F4-Y6 HydrophobicContact CB-CE2 3.87Å; F4-R54 VanDerWaalsContact CD1-CZ 3.44Å; F4-R54 VanDerWaalsContact CD1-NH2 3.35Å; F4-R54 HydrophobicContact CE1-CG 4.44Å; F4-R54 VanDerWaalsContact CE1-NE 3.32Å; F4-R54 HydrophobicContact CZ-CG 4.23Å; F4-D59 PolarHBondContact O-N 2.69Å; F4-I60 PolarHBondContact O-N 2.7Å; F4-I200 HydrophobicContact CZ-CG1 4.36Å |
| 5 | G | 79 | Confident | 65.1 | Low | 12 Ų | 12 | 65.4 Ų | 65.4 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.4 | -9.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | I60 Y62 | G5-I60 WeakPolarHBondContact CA-O 3.37Å; G5-Y62 WeakPolarHBondContact CA-OH 3.2Å; G5-Y62 PolarHBondContact N-OH 3.07Å |
| 6 | Y | 84 | Confident | 64 | Low | 9 Ų | 9 | 71 Ų | 71 | 4% | 0.035 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -83.1 | -23.8 | -170 | -62.7 | -81.6 | 0 | 0 | 0 | 114.2 | M1 F4 A26 R29 L30 F33 D59 I60 | M1-Y6 VanDerWaalsContact CE-CB 3.42Å; M1-Y6 HydrophobicContact CE-CD2 4.34Å; M1-Y6 HydrophobicContact CE-CG 3.87Å; M1-Y6 PolarHBondContact O-N 3.37Å; M1-Y6 HydrophobicContact SD-CD2 4.22Å; M1-Y6 HydrophobicContact SD-CG 4.35Å; F4-Y6 HydrophobicContact CB-CD2 3.95Å; F4-Y6 HydrophobicContact CB-CE2 3.87Å; Y6-A26 WeakPolarHBondContact O-CB 3.49Å; Y6-R29 HydrophobicContact CD1-CB 3.86Å; Y6-R29 HydrophobicContact CE1-CB 4.15Å; Y6-L30 HydrophobicContact CD1-CB 4.1Å; Y6-L30 HydrophobicContact CD2-CD1 4Å; Y6-L30 HydrophobicContact CE1-CB 3.95Å; Y6-L30 HydrophobicContact CE1-CD1 4.31Å; Y6-L30 HydrophobicContact CE2-CB 4.39Å; Y6-L30 HydrophobicContact CE2-CD1 3.41Å; Y6-L30 VanDerWaalsContact CE2-CD1 3.41Å; Y6-L30 HydrophobicContact CG-CB 4.39Å; Y6-F33 HydrophobicContact CE1-CB 4.39Å; Y6-F33 WeakPolarHBondContact OH-CB 3.38Å; Y6-F33 WeakPolarHBondContact OH-CG 3.15Å; Y6-D59 HydrophobicContact CE2-CB 4.03Å; Y6-D59 VanDerWaalsContact CE2-OD2 3.26Å; Y6-D59 WeakPolarHBondContact CE2-OD2 3.4Å; Y6-D59 VanDerWaalsContact OH-CB 3.31Å; Y6-D59 WeakPolarHBondContact OH-CB 3.31Å; Y6-D59 PolarHBondContact OH-OD2 3.14Å; Y6-I60 HydrophobicContact CD1-CD1 3.68Å; Y6-I60 HydrophobicContact CE1-CD1 3.67Å; Y6-I60 HydrophobicContact CE1-CG1 4.32Å; Y6-I60 HydrophobicContact CG-CD1 4.45Å |
| 7 | L | 80.1 | Confident | 63.2 | Low | 12 Ų | 12 | 74.5 Ų | 74.5 | 6% | 0.063 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -126.9 | 143.7 | 174.5 | -72.8 | 172.7 | 0 | 0 | 0 | 109.6 | M1 V2 A26 Y62 | M1-L7 HydrophobicContact CB-CD1 3.79Å; M1-L7 HydrophobicContact CB-CG 4.22Å; M1-L7 PolarHBondContact O-N 2.9Å; V2-L7 HydrophobicContact CG2-CB 3.95Å; V2-L7 HydrophobicContact CG2-CD1 4.46Å; L7-A26 HydrophobicContact CD1-CB 4.48Å; L7-A26 HydrophobicContact CD2-CB 3.56Å; L7-A26 HydrophobicContact CG-CB 3.72Å; L7-Y62 VanDerWaalsContact O-CE1 3.24Å; L7-Y62 WeakPolarHBondContact O-CE1 3.23Å; L7-Y62 PolarHBondContact O-OH 3Å |
| 8 | P | 68.4 | Low | 63.2 | Low | 84 Ų | 84 | 75.1 Ų | 75.1 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | trans | -62.5 | 148.8 | 177.9 | 26.5 | -33.8 | 0 | 0 | 0 | 111.4 | S10 | P8-S10 VanDerWaalsContact C-N 3.27Å; P8-S10 PolarHBondContact O-N 2.64Å | ||
| 9 | R | 64.1 | Low | 63.5 | Low | 148 Ų | 148 | 75.6 Ų | 75.6 | 56% | 0.558 | 40% | 0.399 | S | S | * | . | trans | -69.8 | 86 | 167.1 | -66.5 | -175.8 | 177.8 | -164.6 | -2.6 | 108.2 | V2 Y62 | V2-R9 HydrophobicContact CG1-CG 4.01Å; R9-Y62 HydrophobicContact CG-CE1 4.33Å; R9-Y62 HydrophobicContact CG-CE2 4.49Å | ||
| 10 | S | 55.3 | Low | 64.1 | Low | 37 Ų | 37 | 79.1 Ų | 79.1 | 26% | 0.259 | 42% | 0.418 | S | S | . | . | trans | -74.2 | 145.6 | 175.6 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | P8 R18 | P8-S10 VanDerWaalsContact C-N 3.27Å; P8-S10 PolarHBondContact O-N 2.64Å; S10-R18 PolarHBondContact OG-NH2 2.7Å | ||
| 11 | N | 46.9 | Very low | 64.9 | Low | 88 Ų | 88 | 80.6 Ų | 80.6 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | trans | -48.6 | 132.8 | 165.7 | -176.2 | -4.5 | 0 | 0 | 0 | 108.6 | E13 I14 S15 | N11-E13 PolarHBondContact O-N 2.94Å; N11-I14 HydrophobicContact CB-CD1 4.4Å; N11-I14 HydrophobicContact CB-CG1 4.45Å; N11-I14 PolarHBondContact O-N 2.86Å; N11-S15 PolarHBondContact O-N 2.79Å | ||
| 12 | P | 42.5 | Very low | 64.8 | Low | 109 Ų | 109 | 80.5 Ų | 80.5 | 71% | 0.708 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | -29 | 179.5 | 7.8 | -25.1 | 0 | 0 | 0 | 114.6 | S15 | P12-S15 WeakPolarHBondContact O-CB 3.47Å; P12-S15 PolarHBondContact O-N 3.33Å |
| 13 | E | 40.8 | Very low | 65 | Low | 160 Ų | 160 | 81 Ų | 81 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.7 | 175.7 | -62.2 | -170.2 | 157.6 | 0 | 0 | 114.8 | N11 | N11-E13 PolarHBondContact O-N 2.94Š|
| 14 | I | 46.2 | Very low | 65.5 | Low | 94 Ų | 94 | 82.4 Ų | 82.4 | 48% | 0.482 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -8.3 | 178.6 | -52 | 174.7 | 0 | 0 | 0 | 111 | N11 N16 L17 | N11-I14 HydrophobicContact CB-CD1 4.4Å; N11-I14 HydrophobicContact CB-CG1 4.45Å; N11-I14 PolarHBondContact O-N 2.86Å; I14-N16 PolarHBondContact O-N 2.9Å; I14-L17 HydrophobicContact CG2-CB 4.2Å; I14-L17 PolarHBondContact O-N 2.89Å |
| 15 | S | 45.2 | Very low | 65.7 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 34% | 0.343 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -56.2 | -27.4 | 179.5 | -160.1 | 0 | 0 | 0 | 0 | 112.8 | N11 P12 L17 | N11-S15 PolarHBondContact O-N 2.79Å; P12-S15 WeakPolarHBondContact O-CB 3.47Å; P12-S15 PolarHBondContact O-N 3.33Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.03Å |
| 16 | N | 47.6 | Very low | 66.1 | Low | 155 Ų | 155 | 85.9 Ų | 85.9 | 83% | 0.829 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -79.9 | -5.4 | 177.4 | -65.6 | -19.5 | 0 | 0 | 0 | 114.5 | I14 | I14-N16 PolarHBondContact O-N 2.9Š|
| 17 | L | 50.6 | Low | 66.5 | Low | 131 Ų | 131 | 86.3 Ų | 86.3 | 69% | 0.686 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -108.4 | 26.4 | -177.1 | -81.7 | 157.6 | 0 | 0 | 0 | 113 | I14 S15 T19 | I14-L17 HydrophobicContact CG2-CB 4.2Å; I14-L17 PolarHBondContact O-N 2.89Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.03Å; L17-T19 PolarHBondContact O-N 3.46Å |
| 18 | R | 62.1 | Low | 67.1 | Low | 85 Ų | 85 | 87.3 Ų | 87.3 | 32% | 0.321 | 47% | 0.467 | S | S | . | . | trans | -70.4 | 118 | 172.6 | -69.2 | -173.8 | 178 | 162.7 | 11.5 | 109.5 | S10 V23 | S10-R18 PolarHBondContact OG-NH2 2.7Å; R18-V23 HydrophobicContact CB-CG2 4.05Å | ||
| 19 | T | 68.5 | Low | 68.1 | Low | 85 Ų | 85 | 88.1 Ų | 88.1 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | trans | -69 | 142.8 | 174 | 61.1 | 0 | 0 | 0 | 0 | 109.7 | L17 V21 A22 V23 | L17-T19 PolarHBondContact O-N 3.46Å; T19-V21 PolarHBondContact O-N 2.88Å; T19-V21 VanDerWaalsContact O-N 3.08Å; T19-A22 WeakPolarHBondContact O-CB 3.41Å; T19-A22 PolarHBondContact O-N 3.41Å; T19-A22 WeakPolarHBondContact OG1-CB 3.13Å; T19-A22 PolarHBondContact OG1-N 3.14Å; T19-V23 PolarHBondContact O-N 2.89Å; T19-V23 VanDerWaalsContact O-N 3.12Å | ||
| 20 | D | 76.4 | Confident | 69.4 | Low | 144 Ų | 144 | 81.2 Ų | 81.2 | 77% | 0.77 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -52.3 | -33.4 | 173.5 | -67.8 | -24.2 | 0 | 0 | 0 | 111.4 | V23 K24 | D20-V23 PolarHBondContact O-N 3.42Å; D20-K24 VanDerWaalsContact O-CB 3.22Å; D20-K24 WeakPolarHBondContact O-CB 3.47Å; D20-K24 PolarHBondContact O-N 3.34Å |
| 21 | V | 80.2 | Confident | 71.3 | Confident | 112 Ų | 112 | 79.5 Ų | 79.5 | 68% | 0.679 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | T19 K24 K25 | T19-V21 PolarHBondContact O-N 2.88Å; T19-V21 VanDerWaalsContact O-N 3.08Å; V21-K24 PolarHBondContact O-N 2.63Å; V21-K25 WeakPolarHBondContact O-CB 3.28Å; V21-K25 PolarHBondContact O-N 2.77Å |
| 22 | A | 79.3 | Confident | 73.4 | Confident | 39 Ų | 39 | 80.9 Ų | 80.9 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T19 A26 | T19-A22 WeakPolarHBondContact O-CB 3.41Å; T19-A22 PolarHBondContact O-N 3.41Å; T19-A22 WeakPolarHBondContact OG1-CB 3.13Å; T19-A22 PolarHBondContact OG1-N 3.14Å; A22-A26 VanDerWaalsContact O-CB 3.3Å; A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 2.8Å |
| 23 | V | 85.1 | Confident | 75.6 | Confident | 52 Ų | 52 | 76.3 Ų | 76.3 | 32% | 0.315 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 111 | R18 T19 D20 K25 A26 L27 | R18-V23 HydrophobicContact CB-CG2 4.05Å; T19-V23 PolarHBondContact O-N 2.89Å; T19-V23 VanDerWaalsContact O-N 3.12Å; D20-V23 PolarHBondContact O-N 3.42Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-K25 PolarHBondContact O-N 3.16Å; V23-A26 WeakPolarHBondContact O-CB 3.36Å; V23-A26 PolarHBondContact O-N 3.16Å; V23-A26 VanDerWaalsContact O-N 3.15Å; V23-L27 HydrophobicContact CG1-CD1 4.16Å; V23-L27 HydrophobicContact CG1-CG 4.48Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 3.06Å |
| 24 | K | 89.8 | Confident | 77.9 | Confident | 105 Ų | 105 | 68.7 Ų | 68.7 | 46% | 0.457 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 177.3 | -176.7 | 160.1 | -170.3 | 164.1 | 0 | 111.8 | D20 V21 L27 S28 T39 G40 E41 | D20-K24 VanDerWaalsContact O-CB 3.22Å; D20-K24 WeakPolarHBondContact O-CB 3.47Å; D20-K24 PolarHBondContact O-N 3.34Å; V21-K24 PolarHBondContact O-N 2.63Å; K24-L27 PolarHBondContact O-N 3.49Å; K24-S28 WeakPolarHBondContact O-CB 3.09Å; K24-S28 PolarHBondContact O-N 3.42Å; K24-T39 WeakPolarHBondContact CE-O 3.12Å; K24-G40 WeakPolarHBondContact CG-O 3.25Å; K24-G40 WeakPolarHBondContact O-CA 3.36Å; K24-E41 IonicContact NZ-OE1 3.8Å |
| 25 | K | 87.1 | Confident | 79.9 | Confident | 102 Ų | 102 | 66.5 Ų | 66.5 | 44% | 0.443 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 175.9 | -170.2 | 172.2 | -173.7 | 173.8 | 0 | 112.2 | V21 V23 R29 | V21-K25 WeakPolarHBondContact O-CB 3.28Å; V21-K25 PolarHBondContact O-N 2.77Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-K25 PolarHBondContact O-N 3.16Å; K25-R29 WeakPolarHBondContact O-CG 3.4Å; K25-R29 PolarHBondContact O-N 3.13Å; K25-R29 VanDerWaalsContact O-N 3.14Å |
| 26 | A | 88.3 | Confident | 82.1 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 Y6 L7 A22 V23 R29 L30 | M1-A26 HydrophobicContact CE-CB 3.63Å; M1-A26 WeakPolarHBondContact CE-O 3.46Å; Y6-A26 WeakPolarHBondContact O-CB 3.49Å; L7-A26 HydrophobicContact CD1-CB 4.48Å; L7-A26 HydrophobicContact CD2-CB 3.56Å; L7-A26 HydrophobicContact CG-CB 3.72Å; A22-A26 VanDerWaalsContact O-CB 3.3Å; A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 2.8Å; V23-A26 WeakPolarHBondContact O-CB 3.36Å; V23-A26 PolarHBondContact O-N 3.16Å; V23-A26 VanDerWaalsContact O-N 3.15Å; A26-R29 PolarHBondContact O-N 3.48Å; A26-L30 PolarHBondContact O-N 3.4Å |
| 27 | L | 92.1 | Very high | 84.2 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.1 | -75.9 | 171.7 | 0 | 0 | 0 | 111.9 | M1 V23 K24 R29 L30 Q31 G40 L42 T46 M50 | M1-L27 HydrophobicContact CE-CD2 4.29Å; V23-L27 HydrophobicContact CG1-CD1 4.16Å; V23-L27 HydrophobicContact CG1-CG 4.48Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 3.06Å; K24-L27 PolarHBondContact O-N 3.49Å; L27-R29 VanDerWaalsContact C-N 3.29Å; L27-R29 PolarHBondContact O-N 2.86Å; L27-L30 WeakPolarHBondContact O-CB 3.46Å; L27-L30 PolarHBondContact O-N 2.71Å; L27-L30 VanDerWaalsContact O-N 3.15Å; L27-Q31 WeakPolarHBondContact O-CB 3.36Å; L27-Q31 VanDerWaalsContact O-CG 3.29Å; L27-Q31 WeakPolarHBondContact O-CG 3.42Å; L27-Q31 PolarHBondContact O-N 3.41Å; L27-Q31 PolarHBondContact O-OE1 3.45Å; L27-G40 WeakPolarHBondContact CD1-O 3.49Å; L27-L42 HydrophobicContact CD2-CD1 4.33Å; L27-T46 HydrophobicContact CD2-CG2 4.16Å; L27-M50 HydrophobicContact CD2-SD 4.25Å |
| 28 | S | 92.4 | Very high | 86.2 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 176.9 | -177 | 0 | 0 | 0 | 0 | 111.6 | K24 Q31 E32 A38 | K24-S28 WeakPolarHBondContact O-CB 3.09Å; K24-S28 PolarHBondContact O-N 3.42Å; S28-Q31 PolarHBondContact O-N 3.19Å; S28-E32 WeakPolarHBondContact O-CB 3.38Å; S28-E32 PolarHBondContact O-N 3.06Å; S28-A38 PolarHBondContact OG-O 3.3Å; S28-A38 VanDerWaalsContact OG-O 3.06Å |
| 29 | R | 90.2 | Very high | 87.8 | Confident | 101 Ų | 101 | 60 Ų | 60 | 38% | 0.381 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 174.5 | -71.5 | 171.8 | 176.5 | -179.8 | -4.7 | 113.7 | Y6 K25 A26 L27 Q31 E32 F33 | Y6-R29 HydrophobicContact CD1-CB 3.86Å; Y6-R29 HydrophobicContact CE1-CB 4.15Å; K25-R29 WeakPolarHBondContact O-CG 3.4Å; K25-R29 PolarHBondContact O-N 3.13Å; K25-R29 VanDerWaalsContact O-N 3.14Å; A26-R29 PolarHBondContact O-N 3.48Å; L27-R29 VanDerWaalsContact C-N 3.29Å; L27-R29 PolarHBondContact O-N 2.86Å; R29-Q31 VanDerWaalsContact C-N 3.33Å; R29-E32 PolarHBondContact O-N 3.38Å; R29-F33 WeakPolarHBondContact O-CB 3.27Å; R29-F33 PolarHBondContact O-N 3.37Å |
| 30 | L | 92 | Very high | 88.8 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.1 | 175 | 77.6 | 0 | 0 | 0 | 110.5 | M1 Y6 A26 L27 F33 A34 T46 L49 M50 Y254 | M1-L30 HydrophobicContact CE-CB 4.02Å; M1-L30 HydrophobicContact CE-CD2 4.42Å; M1-L30 HydrophobicContact SD-CB 4.29Å; M1-L30 HydrophobicContact SD-CD1 4.42Å; M1-L30 HydrophobicContact SD-CD2 3.78Å; M1-L30 HydrophobicContact SD-CG 4.39Å; Y6-L30 HydrophobicContact CD1-CB 4.1Å; Y6-L30 HydrophobicContact CD2-CD1 4Å; Y6-L30 HydrophobicContact CE1-CB 3.95Å; Y6-L30 HydrophobicContact CE1-CD1 4.31Å; Y6-L30 HydrophobicContact CE2-CB 4.39Å; Y6-L30 HydrophobicContact CE2-CD1 3.41Å; Y6-L30 VanDerWaalsContact CE2-CD1 3.41Å; Y6-L30 HydrophobicContact CG-CB 4.39Å; A26-L30 PolarHBondContact O-N 3.4Å; L27-L30 WeakPolarHBondContact O-CB 3.46Å; L27-L30 PolarHBondContact O-N 2.71Å; L27-L30 VanDerWaalsContact O-N 3.15Å; L30-F33 PolarHBondContact O-N 2.83Å; L30-A34 WeakPolarHBondContact O-CB 3.34Å; L30-A34 PolarHBondContact O-N 3.19Å; L30-T46 HydrophobicContact CD2-CG2 4.32Å; L30-L49 HydrophobicContact CD1-CD2 4.5Å; L30-L49 HydrophobicContact CD2-CD2 4.31Å; L30-L49 HydrophobicContact CG-CD2 4.07Å; L30-M50 HydrophobicContact CD2-CG 3.72Å; L30-M50 HydrophobicContact CD2-SD 4.05Å; L30-Y254 VanDerWaalsContact CD1-OH 3.28Å; L30-Y254 WeakPolarHBondContact CD1-OH 3.37Å |
| 31 | Q | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 177.9 | -72.1 | 164.1 | -25.9 | 0 | 0 | 110.7 | L27 S28 R29 F33 A34 G35 L36 E37 T39 E41 T46 | L27-Q31 WeakPolarHBondContact O-CB 3.36Å; L27-Q31 VanDerWaalsContact O-CG 3.29Å; L27-Q31 WeakPolarHBondContact O-CG 3.42Å; L27-Q31 PolarHBondContact O-N 3.41Å; L27-Q31 PolarHBondContact O-OE1 3.45Å; S28-Q31 PolarHBondContact O-N 3.19Å; R29-Q31 VanDerWaalsContact C-N 3.33Å; Q31-F33 PolarHBondContact O-N 2.73Å; Q31-A34 CarbonylContact O-C 3.52Å; Q31-A34 PolarHBondContact O-N 2.88Å; Q31-G35 PolarHBondContact O-N 3.3Å; Q31-L36 CarbonylContact C-O 3.52Å; Q31-L36 HydrophobicContact CB-CB 3.96Å; Q31-L36 HydrophobicContact CG-CB 4.27Å; Q31-L36 HydrophobicContact CG-CD1 4.49Å; Q31-L36 PolarHBondContact O-N 2.76Å; Q31-E37 VanDerWaalsContact CD-O 3.31Å; Q31-E37 PolarHBondContact OE1-O 3.1Å; Q31-T39 PolarHBondContact NE2-OG1 2.73Å; Q31-E41 PolarHBondContact NE2-O 2.99Å; Q31-T46 HydrophobicContact CG-CG2 4.28Å; Q31-T46 PolarHBondContact NE2-OG1 2.84Å |
| 32 | E | 91.2 | Very high | 90.2 | Very high | 118 Ų | 118 | 54 Ų | 54 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -57.3 | -47.7 | 177.4 | -173.2 | -169.4 | 168.3 | 0 | 0 | 111.9 | S28 R29 A34 G35 A38 | S28-E32 WeakPolarHBondContact O-CB 3.38Å; S28-E32 PolarHBondContact O-N 3.06Å; R29-E32 PolarHBondContact O-N 3.38Å; E32-A34 VanDerWaalsContact C-N 3.31Å; E32-A34 PolarHBondContact O-N 3.47Å; E32-G35 PolarHBondContact O-N 2.77Å; E32-G35 VanDerWaalsContact O-N 3.07Å; E32-A38 HydrophobicContact CB-CB 4.35Å |
| 33 | F | 88.1 | Confident | 90.8 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.057 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 178.2 | -174.6 | -77.3 | 0 | 0 | 0 | 111.7 | Y6 R29 L30 Q31 G35 D59 H243 K245 P253 | Y6-F33 HydrophobicContact CE1-CB 4.39Å; Y6-F33 WeakPolarHBondContact OH-CB 3.38Å; Y6-F33 WeakPolarHBondContact OH-CG 3.15Å; R29-F33 WeakPolarHBondContact O-CB 3.27Å; R29-F33 PolarHBondContact O-N 3.37Å; L30-F33 PolarHBondContact O-N 2.83Å; Q31-F33 PolarHBondContact O-N 2.73Å; F33-G35 PolarHBondContact O-N 3.34Å; F33-D59 HydrophobicContact CD1-CB 4.41Å; F33-D59 HydrophobicContact CD2-CB 4.21Å; F33-D59 HydrophobicContact CE1-CB 4.19Å; F33-D59 HydrophobicContact CE2-CB 3.94Å; F33-D59 HydrophobicContact CG-CB 4.46Å; F33-D59 HydrophobicContact CZ-CB 3.94Å; F33-H243 HydrophobicContact CZ-CB 4.12Å; F33-K245 HydrophobicContact CD1-CG 4.37Å; F33-K245 HydrophobicContact CD2-CD 4.3Å; F33-K245 HydrophobicContact CD2-CG 3.71Å; F33-K245 HydrophobicContact CE1-CG 4.37Å; F33-K245 HydrophobicContact CE2-CG 3.75Å; F33-K245 HydrophobicContact CG-CG 4.02Å; F33-K245 HydrophobicContact CZ-CG 4.08Å; F33-P253 HydrophobicContact CD1-CG 4.49Å; F33-P253 HydrophobicContact CE1-CG 3.62Å; F33-P253 HydrophobicContact CZ-CG 4.36Å |
| 34 | A | 88.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L30 Q31 E32 L49 R247 Y254 | L30-A34 WeakPolarHBondContact O-CB 3.34Å; L30-A34 PolarHBondContact O-N 3.19Å; Q31-A34 CarbonylContact O-C 3.52Å; Q31-A34 PolarHBondContact O-N 2.88Å; E32-A34 VanDerWaalsContact C-N 3.31Å; E32-A34 PolarHBondContact O-N 3.47Å; A34-L49 HydrophobicContact CB-CD1 3.71Å; A34-L49 HydrophobicContact CB-CD2 3.31Å; A34-L49 HydrophobicContact CB-CG 4.13Å; A34-R247 PolarHBondContact O-NE 2.88Å; A34-R247 PolarHBondContact O-NH1 3.13Å; A34-R247 PolarHBondContact O-NH2 2.95Å; A34-Y254 HydrophobicContact CB-CE2 4.08Å |
| 35 | G | 88.3 | Confident | 91.4 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 30.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q31 E32 F33 R247 | Q31-G35 PolarHBondContact O-N 3.3Å; E32-G35 PolarHBondContact O-N 2.77Å; E32-G35 VanDerWaalsContact O-N 3.07Å; F33-G35 PolarHBondContact O-N 3.34Å; G35-R247 PolarHBondContact O-NH2 3.3Å |
| 36 | L | 91.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -93.1 | 164.4 | 167.2 | -62.6 | -178.9 | 0 | 0 | 0 | 110.3 | Q31 A38 A45 L49 | Q31-L36 CarbonylContact C-O 3.52Å; Q31-L36 HydrophobicContact CB-CB 3.96Å; Q31-L36 HydrophobicContact CG-CB 4.27Å; Q31-L36 HydrophobicContact CG-CD1 4.49Å; Q31-L36 PolarHBondContact O-N 2.76Å; L36-A38 PolarHBondContact O-N 3.18Å; L36-A45 HydrophobicContact CD1-CB 4.35Å; L36-A45 HydrophobicContact CD2-CB 4.32Å; L36-L49 HydrophobicContact CD1-CB 4.06Å; L36-L49 HydrophobicContact CD1-CD2 3.72Å; L36-L49 HydrophobicContact CD1-CG 4.41Å; L36-L49 HydrophobicContact CG-CD2 4.5Å |
| 37 | E | 92.7 | Very high | 92 | Very high | 157 Ų | 157 | 55.1 Ų | 55.1 | 73% | 0.734 | 30% | 0.303 | S | S | * | . | trans | -62.8 | 125.4 | 170.1 | -170.6 | -178.9 | 178.4 | 0 | 0 | 110.5 | Q31 T39 | Q31-E37 VanDerWaalsContact CD-O 3.31Å; Q31-E37 PolarHBondContact OE1-O 3.1Å; E37-T39 HydrophobicContact CB-CG2 4.28Å; E37-T39 HydrophobicContact CG-CG2 3.91Å; E37-T39 PolarHBondContact O-N 2.75Å | ||
| 38 | A | 93.1 | Very high | 92 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | trans | -80.9 | 52.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S28 E32 L36 G40 | S28-A38 PolarHBondContact OG-O 3.3Å; S28-A38 VanDerWaalsContact OG-O 3.06Å; E32-A38 HydrophobicContact CB-CB 4.35Å; L36-A38 PolarHBondContact O-N 3.18Å; A38-G40 PolarHBondContact O-N 2.97Å | ||
| 39 | T | 93.9 | Very high | 91.9 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | trans | -63.3 | -25.4 | -176.7 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | K24 Q31 E37 E41 | K24-T39 WeakPolarHBondContact CE-O 3.12Å; Q31-T39 PolarHBondContact NE2-OG1 2.73Å; E37-T39 HydrophobicContact CB-CG2 4.28Å; E37-T39 HydrophobicContact CG-CG2 3.91Å; E37-T39 PolarHBondContact O-N 2.75Å; T39-E41 PolarHBondContact O-N 2.97Å; T39-E41 PolarHBondContact OG1-N 2.99Å; T39-E41 VanDerWaalsContact OG1-N 3.07Å; T39-E41 PolarHBondContact OG1-O 2.81Å | ||
| 40 | G | 91.5 | Very high | 92 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | trans | 68.9 | 11.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K24 L27 A38 | K24-G40 WeakPolarHBondContact CG-O 3.25Å; K24-G40 WeakPolarHBondContact O-CA 3.36Å; L27-G40 WeakPolarHBondContact CD1-O 3.49Å; A38-G40 PolarHBondContact O-N 2.97Å | ||
| 41 | E | 92.8 | Very high | 91.9 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -111.6 | 144.9 | -178.2 | -64.3 | -179.7 | 178.5 | 0 | 0 | 111 | K24 Q31 T39 N43 | K24-E41 IonicContact NZ-OE1 3.8Å; Q31-E41 PolarHBondContact NE2-O 2.99Å; T39-E41 PolarHBondContact O-N 2.97Å; T39-E41 PolarHBondContact OG1-N 2.99Å; T39-E41 VanDerWaalsContact OG1-N 3.07Å; T39-E41 PolarHBondContact OG1-O 2.81Å; E41-N43 PolarHBondContact O-N 3.38Å |
| 42 | L | 91.2 | Very high | 91.6 | Very high | 94 Ų | 94 | 65.1 Ų | 65.1 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | trans | -80.1 | 66.4 | 179.6 | -167.1 | 64.6 | 0 | 0 | 0 | 110.9 | L27 T46 L47 M50 | L27-L42 HydrophobicContact CD2-CD1 4.33Å; L42-T46 HydrophobicContact CD1-CG2 3.99Å; L42-L47 HydrophobicContact CD1-CD2 3.73Å; L42-L47 HydrophobicContact CD1-CG 4.06Å; L42-L47 HydrophobicContact CD2-CD2 3.76Å; L42-L47 HydrophobicContact CD2-CG 4.49Å; L42-L47 HydrophobicContact CG-CD2 3.59Å; L42-L47 HydrophobicContact CG-CG 3.85Å; L42-M50 HydrophobicContact CD1-SD 3.72Å | ||
| 43 | N | 93.2 | Very high | 91.4 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | trans | -78.4 | 170.2 | 176 | 64.7 | 18 | 0 | 0 | 0 | 112.1 | E41 A45 T46 L47 | E41-N43 PolarHBondContact O-N 3.38Å; N43-A45 PolarHBondContact O-N 3.49Å; N43-A45 PolarHBondContact OD1-N 3.21Å; N43-T46 WeakPolarHBondContact O-CA 3.29Å; N43-T46 WeakPolarHBondContact O-CB 3.4Å; N43-T46 PolarHBondContact O-N 3.39Å; N43-T46 WeakPolarHBondContact OD1-CB 3.36Å; N43-T46 PolarHBondContact OD1-N 2.96Å; N43-T46 PolarHBondContact OD1-OG1 3.16Å; N43-L47 PolarHBondContact O-N 3.12Å | ||
| 44 | D | 94.7 | Very high | 91.5 | Very high | 138 Ų | 138 | 62.5 Ų | 62.5 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -55.3 | -37.8 | -177 | -66.9 | -16.8 | 0 | 0 | 0 | 113.3 | L47 K48 | D44-L47 PolarHBondContact O-N 3.44Å; D44-K48 WeakPolarHBondContact O-CB 3.42Å; D44-K48 PolarHBondContact O-N 2.94Å |
| 45 | A | 93.6 | Very high | 91.5 | Very high | 49 Ų | 49 | 63 Ų | 63 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L36 N43 L49 | L36-A45 HydrophobicContact CD1-CB 4.35Å; L36-A45 HydrophobicContact CD2-CB 4.32Å; N43-A45 PolarHBondContact O-N 3.49Å; N43-A45 PolarHBondContact OD1-N 3.21Å; A45-L49 WeakPolarHBondContact O-CB 3.46Å; A45-L49 PolarHBondContact O-N 2.86Å |
| 46 | T | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 177.5 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | L27 L30 Q31 L42 N43 L49 M50 | L27-T46 HydrophobicContact CD2-CG2 4.16Å; L30-T46 HydrophobicContact CD2-CG2 4.32Å; Q31-T46 HydrophobicContact CG-CG2 4.28Å; Q31-T46 PolarHBondContact NE2-OG1 2.84Å; L42-T46 HydrophobicContact CD1-CG2 3.99Å; N43-T46 WeakPolarHBondContact O-CA 3.29Å; N43-T46 WeakPolarHBondContact O-CB 3.4Å; N43-T46 PolarHBondContact O-N 3.39Å; N43-T46 WeakPolarHBondContact OD1-CB 3.36Å; N43-T46 PolarHBondContact OD1-N 2.96Å; N43-T46 PolarHBondContact OD1-OG1 3.16Å; T46-L49 WeakPolarHBondContact O-CB 3.37Å; T46-L49 PolarHBondContact O-N 2.94Å; T46-M50 HydrophobicContact CG2-CG 4.47Å; T46-M50 HydrophobicContact CG2-SD 4.15Å; T46-M50 WeakPolarHBondContact O-CB 3.41Å; T46-M50 VanDerWaalsContact O-CG 3.28Å; T46-M50 WeakPolarHBondContact O-CG 3.26Å; T46-M50 PolarHBondContact O-N 3.29Å |
| 47 | L | 93.3 | Very high | 90.8 | Very high | 82 Ų | 82 | 60 Ų | 60 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.2 | -75.1 | 169.9 | 0 | 0 | 0 | 112 | L42 N43 D44 L49 M50 S51 | L42-L47 HydrophobicContact CD1-CD2 3.73Å; L42-L47 HydrophobicContact CD1-CG 4.06Å; L42-L47 HydrophobicContact CD2-CD2 3.76Å; L42-L47 HydrophobicContact CD2-CG 4.49Å; L42-L47 HydrophobicContact CG-CD2 3.59Å; L42-L47 HydrophobicContact CG-CG 3.85Å; N43-L47 PolarHBondContact O-N 3.12Å; D44-L47 PolarHBondContact O-N 3.44Å; L47-L49 VanDerWaalsContact C-N 3.35Å; L47-M50 PolarHBondContact O-N 3.33Å; L47-S51 PolarHBondContact O-N 2.79Å; L47-S51 VanDerWaalsContact O-N 3.12Å; L47-S51 PolarHBondContact O-OG 3.48Å |
| 48 | K | 92.2 | Very high | 90 | Very high | 154 Ų | 154 | 53.5 Ų | 53.5 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 174.7 | -174 | 177.6 | 179.8 | -178.3 | 0 | 111.5 | D44 S51 T52 | D44-K48 WeakPolarHBondContact O-CB 3.42Å; D44-K48 PolarHBondContact O-N 2.94Å; K48-S51 WeakPolarHBondContact CA-OG 3.12Å; K48-S51 PolarHBondContact O-N 3.49Å; K48-S51 PolarHBondContact O-OG 3.06Å; K48-S51 VanDerWaalsContact O-OG 3.07Å; K48-T52 PolarHBondContact O-N 3.21Å; K48-T52 VanDerWaalsContact O-N 3.15Å; K48-T52 PolarHBondContact O-OG1 3.37Å |
| 49 | L | 91.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 176 | -178.9 | 74.2 | 0 | 0 | 0 | 111.5 | L30 A34 L36 A45 T46 L47 S51 T52 Y254 | L30-L49 HydrophobicContact CD1-CD2 4.5Å; L30-L49 HydrophobicContact CD2-CD2 4.31Å; L30-L49 HydrophobicContact CG-CD2 4.07Å; A34-L49 HydrophobicContact CB-CD1 3.71Å; A34-L49 HydrophobicContact CB-CD2 3.31Å; A34-L49 HydrophobicContact CB-CG 4.13Å; L36-L49 HydrophobicContact CD1-CB 4.06Å; L36-L49 HydrophobicContact CD1-CD2 3.72Å; L36-L49 HydrophobicContact CD1-CG 4.41Å; L36-L49 HydrophobicContact CG-CD2 4.5Å; A45-L49 WeakPolarHBondContact O-CB 3.46Å; A45-L49 PolarHBondContact O-N 2.86Å; T46-L49 WeakPolarHBondContact O-CB 3.37Å; T46-L49 PolarHBondContact O-N 2.94Å; L47-L49 VanDerWaalsContact C-N 3.35Å; L49-S51 PolarHBondContact O-N 2.74Å; L49-T52 WeakPolarHBondContact O-CB 3.3Å; L49-T52 PolarHBondContact O-N 3.33Å; L49-T52 VanDerWaalsContact O-N 3.07Å; L49-Y254 HydrophobicContact CD1-CD1 3.81Å; L49-Y254 HydrophobicContact CD1-CD2 4.06Å; L49-Y254 HydrophobicContact CD1-CE1 3.51Å; L49-Y254 HydrophobicContact CD1-CE2 3.8Å; L49-Y254 HydrophobicContact CD1-CG 4.07Å; L49-Y254 HydrophobicContact CG-CD1 4.42Å; L49-Y254 HydrophobicContact CG-CE1 3.69Å; L49-Y254 HydrophobicContact CG-CE2 4.42Å; L49-Y254 WeakPolarHBondContact O-CE1 3.16Å |
| 50 | M | 91.2 | Very high | 88.5 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.5 | -19.6 | -177.7 | -70.5 | -179.1 | 72.7 | 0 | 0 | 113.9 | M1 L27 L30 L42 T46 L47 | M1-M50 HydrophobicContact CG-CE 4.12Å; M1-M50 HydrophobicContact SD-CE 4.33Å; L27-M50 HydrophobicContact CD2-SD 4.25Å; L30-M50 HydrophobicContact CD2-CG 3.72Å; L30-M50 HydrophobicContact CD2-SD 4.05Å; L42-M50 HydrophobicContact CD1-SD 3.72Å; T46-M50 HydrophobicContact CG2-CG 4.47Å; T46-M50 HydrophobicContact CG2-SD 4.15Å; T46-M50 WeakPolarHBondContact O-CB 3.41Å; T46-M50 VanDerWaalsContact O-CG 3.28Å; T46-M50 WeakPolarHBondContact O-CG 3.26Å; T46-M50 PolarHBondContact O-N 3.29Å; L47-M50 PolarHBondContact O-N 3.33Å |
| 51 | S | 90 | Very high | 87 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 58% | 0.58 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -1.4 | 173.8 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | L47 K48 L49 | L47-S51 PolarHBondContact O-N 2.79Å; L47-S51 VanDerWaalsContact O-N 3.12Å; L47-S51 PolarHBondContact O-OG 3.48Å; K48-S51 WeakPolarHBondContact CA-OG 3.12Å; K48-S51 PolarHBondContact O-N 3.49Å; K48-S51 PolarHBondContact O-OG 3.06Å; K48-S51 VanDerWaalsContact O-OG 3.07Å; L49-S51 PolarHBondContact O-N 2.74Å |
| 52 | T | 88.5 | Confident | 85 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -78.9 | 129.1 | 176.8 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | K48 L49 Y254 | K48-T52 PolarHBondContact O-N 3.21Å; K48-T52 VanDerWaalsContact O-N 3.15Å; K48-T52 PolarHBondContact O-OG1 3.37Å; L49-T52 WeakPolarHBondContact O-CB 3.3Å; L49-T52 PolarHBondContact O-N 3.33Å; L49-T52 VanDerWaalsContact O-N 3.07Å; T52-Y254 HydrophobicContact CG2-CD1 4.24Å |
| 53 | K | 87.6 | Confident | 82.8 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | trans | -54 | 143.7 | 175.7 | -58.1 | -157.4 | 172.7 | -151.2 | 0 | 111.7 | N198 V199 L201 E221 Y255 | K53-N198 WeakPolarHBondContact CE-O 3.25Å; K53-V199 CarbonylContact C-O 3.59Å; K53-V199 VanDerWaalsContact CA-O 3.31Å; K53-V199 WeakPolarHBondContact CA-O 3.15Å; K53-L201 HydrophobicContact CB-CD1 3.62Å; K53-L201 HydrophobicContact CB-CD2 4.31Å; K53-L201 HydrophobicContact CB-CG 3.92Å; K53-L201 HydrophobicContact CD-CD1 4.38Å; K53-L201 HydrophobicContact CD-CD2 3.63Å; K53-L201 HydrophobicContact CD-CG 4.18Å; K53-E221 IonicContact NZ-OE1 3.65Å; K53-E221 PolarHBondContact NZ-OE1 3.49Å; K53-E221 IonicContact NZ-OE2 3.04Å; K53-E221 PolarHBondContact NZ-OE2 3.29Å; K53-Y255 VanDerWaalsContact O-CB 3.24Å; K53-Y255 WeakPolarHBondContact O-CB 3.25Å; K53-Y255 PolarHBondContact O-N 3.01Å | ||
| 54 | R | 89.2 | Confident | 80 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 173.3 | -171.1 | 55.9 | 176.6 | -68.6 | 159.7 | 4.3 | 112.9 | F4 D59 V199 L201 P253 Y254 | F4-R54 VanDerWaalsContact CD1-CZ 3.44Å; F4-R54 VanDerWaalsContact CD1-NH2 3.35Å; F4-R54 HydrophobicContact CE1-CG 4.44Å; F4-R54 VanDerWaalsContact CE1-NE 3.32Å; F4-R54 HydrophobicContact CZ-CG 4.23Å; R54-D59 IonicContact CZ-OD1 2.69Å; R54-D59 IonicContact CZ-OD2 2.7Å; R54-D59 IonicContact NH1-OD2 2.62Å; R54-D59 PolarHBondContact NH1-OD2 2.96Å; R54-D59 VanDerWaalsContact NH1-OD2 3.11Å; R54-D59 IonicContact NH2-OD1 3.45Å; R54-D59 PolarHBondContact NH2-OD1 2.9Å; R54-D59 IonicContact NH2-OD2 2.74Å; R54-D59 PolarHBondContact NH2-OD2 3.27Å; R54-V199 HydrophobicContact CG-CG1 3.49Å; R54-V199 VanDerWaalsContact CG-CG1 3.49Å; R54-V199 PolarHBondContact N-O 2.93Å; R54-L201 PolarHBondContact O-N 2.81Å; R54-P253 CarbonylContact C-O 3.57Å; R54-P253 WeakPolarHBondContact CA-O 3.13Å; R54-P253 WeakPolarHBondContact CB-O 3.26Å; R54-Y254 HydrophobicContact CB-CD1 4.12Å; R54-Y254 PolarHBondContact NH1-OH 2.87Å |
| 55 | C | 87.6 | Confident | 77.1 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 144.6 | 167.4 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | L57 A202 H243 P253 | C55-L57 VanDerWaalsContact C-N 3.34Å; C55-L57 PolarHBondContact SG-N 3.34Å; C55-A202 WeakPolarHBondContact CA-O 3.1Å; C55-H243 WeakPolarHBondContact CB-NE2 3.21Å; C55-H243 PolarHBondContact SG-NE2 3.12Å; C55-P253 PolarHBondContact N-O 2.99Å |
| 56 | G | 85.1 | Confident | 74.4 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -78.9 | -9.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I200 A202 | G56-I200 VanDerWaalsContact CA-CG2 3.45Å; G56-A202 PolarHBondContact N-O 2.82Å |
| 57 | L | 80 | Confident | 71.6 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -74.4 | 153.2 | 177.1 | -65.3 | 176.6 | 0 | 0 | 0 | 112.2 | C55 H203 A204 H243 | C55-L57 VanDerWaalsContact C-N 3.34Å; C55-L57 PolarHBondContact SG-N 3.34Å; L57-H203 HydrophobicContact CD2-CB 3.97Å; L57-H203 HydrophobicContact CG-CB 3.93Å; L57-A204 VanDerWaalsContact CD1-O 3.27Å; L57-A204 WeakPolarHBondContact CD1-O 3.37Å; L57-H243 PolarHBondContact O-CE1 3.25Å; L57-H243 VanDerWaalsContact O-CE1 3.25Å |
| 58 | P | 77.7 | Confident | 68.6 | Low | 20 Ų | 20 | 53.1 Ų | 53.1 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | trans | -63.8 | 135.4 | 171.7 | -19.9 | 32 | 0 | 0 | 0 | 113 | I60 Y62 Y192 | P58-I60 WeakPolarHBondContact CB-O 3.34Å; P58-Y62 HydrophobicContact CB-CD2 4.47Å; P58-Y62 HydrophobicContact CB-CE2 4.46Å; P58-Y62 HydrophobicContact CG-CD2 4.15Å; P58-Y62 HydrophobicContact CG-CE2 4.33Å; P58-Y192 HydrophobicContact CG-CE1 4.29Å | ||
| 59 | D | 81.6 | Confident | 65.8 | Low | 14 Ų | 14 | 50 Ų | 50 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -67 | -33.8 | 168.2 | -63.6 | -25.8 | 0 | 0 | 0 | 110.9 | F4 Y6 F33 R54 H243 P253 | F4-D59 PolarHBondContact O-N 2.69Å; Y6-D59 HydrophobicContact CE2-CB 4.03Å; Y6-D59 VanDerWaalsContact CE2-OD2 3.26Å; Y6-D59 WeakPolarHBondContact CE2-OD2 3.4Å; Y6-D59 VanDerWaalsContact OH-CB 3.31Å; Y6-D59 WeakPolarHBondContact OH-CB 3.31Å; Y6-D59 PolarHBondContact OH-OD2 3.14Å; F33-D59 HydrophobicContact CD1-CB 4.41Å; F33-D59 HydrophobicContact CD2-CB 4.21Å; F33-D59 HydrophobicContact CE1-CB 4.19Å; F33-D59 HydrophobicContact CE2-CB 3.94Å; F33-D59 HydrophobicContact CG-CB 4.46Å; F33-D59 HydrophobicContact CZ-CB 3.94Å; R54-D59 IonicContact CZ-OD1 2.69Å; R54-D59 IonicContact CZ-OD2 2.7Å; R54-D59 IonicContact NH1-OD2 2.62Å; R54-D59 PolarHBondContact NH1-OD2 2.96Å; R54-D59 VanDerWaalsContact NH1-OD2 3.11Å; R54-D59 IonicContact NH2-OD1 3.45Å; R54-D59 PolarHBondContact NH2-OD1 2.9Å; R54-D59 IonicContact NH2-OD2 2.74Å; R54-D59 PolarHBondContact NH2-OD2 3.27Å; D59-H243 IonicContact OD1-CE1 2.73Å; D59-H243 IonicContact OD1-CG 2.84Å; D59-H243 IonicContact OD1-ND1 3.93Å; D59-H243 PolarHBondContact OD1-ND1 3.47Å; D59-P253 WeakPolarHBondContact OD1-CG 3.46Å |
| 60 | I | 73.8 | Confident | 63.2 | Low | 67 Ų | 67 | 53 Ų | 53 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -118.6 | 103.6 | 176.9 | -53.5 | 173.6 | 0 | 0 | 0 | 106.6 | F4 G5 Y6 P58 Y62 | F4-I60 PolarHBondContact O-N 2.7Å; G5-I60 WeakPolarHBondContact CA-O 3.37Å; Y6-I60 HydrophobicContact CD1-CD1 3.68Å; Y6-I60 HydrophobicContact CE1-CD1 3.67Å; Y6-I60 HydrophobicContact CE1-CG1 4.32Å; Y6-I60 HydrophobicContact CG-CD1 4.45Å; P58-I60 WeakPolarHBondContact CB-O 3.34Å; I60-Y62 PolarHBondContact O-N 3.2Å |
| 61 | P | 58.9 | Low | 61 | Low | 72 Ų | 72 | 51.6 Ų | 51.6 | 47% | 0.468 | 27% | 0.271 | S | S | . | . | trans | -55.3 | 129.2 | 179.7 | -26.5 | 34.1 | 0 | 0 | 0 | 111.8 | A63 | P61-A63 PolarHBondContact O-N 3Š| ||
| 62 | Y | 50.1 | Low | 59.2 | Low | 60 Ų | 60 | 48 Ų | 48 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -64.9 | -25.1 | 172.6 | -73.8 | -71.1 | 0 | 0 | 0 | 112.2 | V2 G5 L7 R9 P58 I60 | V2-Y62 WeakPolarHBondContact CA-OH 3.08Å; V2-Y62 WeakPolarHBondContact O-CE2 3.12Å; V2-Y62 PolarHBondContact O-OH 3.12Å; G5-Y62 WeakPolarHBondContact CA-OH 3.2Å; G5-Y62 PolarHBondContact N-OH 3.07Å; L7-Y62 VanDerWaalsContact O-CE1 3.24Å; L7-Y62 WeakPolarHBondContact O-CE1 3.23Å; L7-Y62 PolarHBondContact O-OH 3Å; R9-Y62 HydrophobicContact CG-CE1 4.33Å; R9-Y62 HydrophobicContact CG-CE2 4.49Å; P58-Y62 HydrophobicContact CB-CD2 4.47Å; P58-Y62 HydrophobicContact CB-CE2 4.46Å; P58-Y62 HydrophobicContact CG-CD2 4.15Å; P58-Y62 HydrophobicContact CG-CE2 4.33Å; I60-Y62 PolarHBondContact O-N 3.2Å |
| 63 | A | 45.5 | Very low | 58.2 | Low | 67 Ų | 67 | 48 Ų | 48 | 55% | 0.554 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -91.2 | 121.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P61 | P61-A63 PolarHBondContact O-N 3Š|
| 64 | R | 34.2 | Very low | 57.8 | Low | 45 Ų | 45 | 47.1 Ų | 47.1 | 17% | 0.17 | 25% | 0.25 | C | C | . | . | trans | -86 | 120.2 | 161.8 | -79.6 | -174.1 | -179.3 | 116.5 | 44.9 | 110.2 | R331 E377 D382 | R64-R331 VanDerWaalsContact NH1-CG 3.26Å; R64-R331 VanDerWaalsContact NH2-CD 3.25Å; R64-E377 WeakPolarHBondContact CD-OE1 3.42Å; R64-E377 WeakPolarHBondContact CD-OE2 3.26Å; R64-E377 IonicContact CZ-OE1 3.08Å; R64-E377 IonicContact NE-OE1 2.55Å; R64-E377 PolarHBondContact NE-OE1 3.07Å; R64-E377 IonicContact NH1-OE1 3.88Å; R64-E377 PolarHBondContact NH1-OE1 3.05Å; R64-D382 IonicContact CZ-OD1 2.72Å; R64-D382 IonicContact CZ-OD2 2.68Å; R64-D382 IonicContact NH1-OD1 3.28Å; R64-D382 PolarHBondContact NH1-OD1 3.38Å; R64-D382 IonicContact NH2-OD1 3.57Å; R64-D382 PolarHBondContact NH2-OD1 3.04Å; R64-D382 IonicContact NH2-OD2 3.11Å; R64-D382 PolarHBondContact NH2-OD2 2.68Å | ||
| 65 | K | 35 | Very low | 57.6 | Low | 98 Ų | 98 | 47.9 Ų | 47.9 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | trans | -165.8 | 112.5 | 143.9 | -101.7 | 152 | -173 | 170.9 | 0 | 111.5 | R67 D380 | K65-R67 PolarHBondContact O-N 2.73Å; K65-R67 VanDerWaalsContact O-N 3.08Å; K65-D380 IonicContact NZ-OD1 3.34Å; K65-D380 PolarHBondContact NZ-OD1 2.59Å; K65-D380 IonicContact NZ-OD2 3.61Å; K65-D380 PolarHBondContact NZ-OD2 3.4Å | ||
| 66 | R | 36.5 | Very low | 57.6 | Low | 42 Ų | 42 | 53.2 Ų | 53.2 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 67.8 | 11.4 | 130.3 | -52.6 | -175.5 | 82.5 | 129.6 | -6.4 | 120.6 | D427 T473 D474 | R66-D427 WeakPolarHBondContact CD-OD1 3.5Å; R66-D427 IonicContact CZ-OD1 2.87Å; R66-D427 IonicContact CZ-OD2 3.91Å; R66-D427 IonicContact NE-OD1 3.38Å; R66-D427 PolarHBondContact NE-OD1 2.93Å; R66-D427 IonicContact NE-OD2 3.25Å; R66-D427 PolarHBondContact NE-OD2 3.23Å; R66-D427 IonicContact NH1-OD1 3.28Å; R66-D427 PolarHBondContact NH1-OD1 2.72Å; R66-D427 IonicContact NH1-OD2 3.28Å; R66-D427 PolarHBondContact NH1-OD2 3.15Å; R66-D427 IonicContact NH2-OD1 3.13Å; R66-D427 IonicContact NH2-OD2 2.76Å; R66-D427 PolarHBondContact NH2-OD2 3.07Å; R66-T473 VanDerWaalsContact NH2-C 3.27Å; R66-T473 PolarHBondContact NH2-O 2.91Å; R66-T473 VanDerWaalsContact NH2-O 3.11Å; R66-D474 PolarHBondContact NH2-O 2.79Å |
| 67 | R | 33.7 | Very low | 57.9 | Low | 119 Ų | 119 | 56 Ų | 56 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -127.2 | 153.5 | 163.9 | -65.8 | -175.8 | -172.8 | -148.5 | -1.4 | 108.8 | K65 Q71 G72 | K65-R67 PolarHBondContact O-N 2.73Å; K65-R67 VanDerWaalsContact O-N 3.08Å; R67-Q71 HydrophobicContact CB-CB 4.14Å; R67-Q71 WeakPolarHBondContact CB-O 3.08Å; R67-G72 WeakPolarHBondContact CD-O 3.03Å; R67-G72 PolarHBondContact NH1-O 2.88Å |
| 68 | S | 30 | Very low | 58.4 | Low | 31 Ų | 31 | 59 Ų | 59 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | trans | -45.3 | 146.8 | 176.8 | -161.9 | 0 | 0 | 0 | 0 | 109.5 | W70 Q71 | S68-W70 PolarHBondContact O-N 3.17Å; S68-Q71 PolarHBondContact O-N 2.84Å | ||
| 69 | P | 33.5 | Very low | 59.2 | Low | 89 Ų | 89 | 63.3 Ų | 63.3 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -20.2 | 177.1 | -22 | 26.6 | 0 | 0 | 0 | 114 | ||
| 70 | W | 37.4 | Very low | 59.7 | Low | 78 Ų | 78 | 62.7 Ų | 62.7 | 30% | 0.295 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 5.2 | -178.2 | -35.2 | 103.5 | 0 | 0 | 0 | 114.5 | S68 G242 H243 S244 K245 | S68-W70 PolarHBondContact O-N 3.17Å; W70-G242 PolarHBondContact O-N 2.77Å; W70-H243 WeakPolarHBondContact CZ3-O 3.31Å; W70-S244 VanDerWaalsContact CZ3-C 3.48Å; W70-K245 HydrophobicContact CH2-CB 3.79Å; W70-K245 HydrophobicContact CH2-CD 3.77Å; W70-K245 HydrophobicContact CH2-CG 3.61Å; W70-K245 HydrophobicContact CZ2-CD 4.28Å; W70-K245 HydrophobicContact CZ3-CB 4.45Å; W70-K245 HydrophobicContact CZ3-CG 4.37Å; W70-K245 VanDerWaalsContact CZ3-N 3.28Å |
| 71 | Q | 43.9 | Very low | 60.7 | Low | 42 Ų | 42 | 61.5 Ų | 61.5 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -134 | 113.6 | -174.8 | -68 | -175.5 | -40.4 | 0 | 0 | 111.9 | R67 S68 G240 L275 | R67-Q71 HydrophobicContact CB-CB 4.14Å; R67-Q71 WeakPolarHBondContact CB-O 3.08Å; S68-Q71 PolarHBondContact O-N 2.84Å; Q71-G240 CarbonylContact C-O 3.6Å; Q71-G240 VanDerWaalsContact CA-O 3.29Å; Q71-G240 WeakPolarHBondContact CA-O 3.49Å; Q71-L275 HydrophobicContact CG-CD2 4.01Å; Q71-L275 VanDerWaalsContact NE2-CD2 3.3Å |
| 72 | G | 53.1 | Low | 62.2 | Low | 9 Ų | 9 | 58.4 Ų | 58.4 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | trans | -87.6 | -162 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R67 G240 | R67-G72 WeakPolarHBondContact CD-O 3.03Å; R67-G72 PolarHBondContact NH1-O 2.88Å; G72-G240 PolarHBondContact N-O 2.52Å | ||
| 73 | S | 66.7 | Low | 64.1 | Low | 42 Ų | 42 | 56.6 Ų | 56.6 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | trans | -56.6 | 161.6 | 167.8 | 32.6 | 0 | 0 | 0 | 0 | 111.5 | F206 P207 G240 | S73-F206 VanDerWaalsContact OG-CB 3.25Å; S73-F206 WeakPolarHBondContact OG-CB 3.3Å; S73-P207 WeakPolarHBondContact CB-O 3.21Å; S73-P207 VanDerWaalsContact O-CD 3.24Å; S73-P207 WeakPolarHBondContact O-CD 3.26Å; S73-P207 WeakPolarHBondContact O-CG 3.49Å; S73-P207 PolarHBondContact OG-O 3.06Å; S73-G240 WeakPolarHBondContact O-CA 3.48Å | ||
| 74 | T | 79.6 | Confident | 66 | Low | 51 Ų | 51 | 54 Ų | 54 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | trans | -124.9 | 147.1 | -179.8 | 46.7 | 0 | 0 | 0 | 0 | 109.2 | L275 | T74-L275 HydrophobicContact CG2-CB 4.21Å; T74-L275 HydrophobicContact CG2-CD1 4.25Å; T74-L275 HydrophobicContact CG2-CD2 3.67Å; T74-L275 HydrophobicContact CG2-CG 4.26Å | ||
| 75 | W | 85.7 | Confident | 68.1 | Low | 22 Ų | 22 | 56.4 Ų | 56.4 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | trans | -67.4 | 135 | 168.7 | -66.2 | 108.7 | 0 | 0 | 0 | 110.6 | Q77 L80 D178 I179 P207 G212 N238 Y276 | W75-Q77 VanDerWaalsContact C-N 3.27Å; W75-Q77 WeakPolarHBondContact CB-O 3.28Å; W75-Q77 VanDerWaalsContact CE3-NE2 3.3Å; W75-L80 HydrophobicContact CB-CD2 3.69Å; W75-L80 VanDerWaalsContact CD1-CD1 3.45Å; W75-L80 HydrophobicContact CD2-CD2 3.69Å; W75-L80 HydrophobicContact CE3-CD2 4.31Å; W75-L80 HydrophobicContact CG-CD1 4.04Å; W75-L80 HydrophobicContact CG-CD2 3.38Å; W75-L80 HydrophobicContact CG-CG 4.37Å; W75-D178 HydrophobicContact CH2-CB 3.81Å; W75-D178 WeakPolarHBondContact CH2-O 3.47Å; W75-D178 HydrophobicContact CZ2-CB 4.03Å; W75-D178 WeakPolarHBondContact CZ2-O 3.35Å; W75-D178 HydrophobicContact CZ3-CB 4.09Å; W75-I179 HydrophobicContact CZ2-CG1 4.31Å; W75-P207 HydrophobicContact CD2-CB 3.71Å; W75-P207 HydrophobicContact CD2-CG 4.29Å; W75-P207 HydrophobicContact CE3-CB 4.25Å; W75-P207 HydrophobicContact CG-CB 3.9Å; W75-P207 HydrophobicContact CG-CG 4.11Å; W75-P207 HydrophobicContact CZ2-CB 4.18Å; W75-G212 VanDerWaalsContact CH2-O 3.23Å; W75-G212 WeakPolarHBondContact CH2-O 3.43Å; W75-N238 PolarHBondContact NE1-O 2.87Å; W75-Y276 HydrophobicContact CB-CE1 4.18Å; W75-Y276 PolarHBondContact N-OH 2.8Å | ||
| 76 | P | 87.5 | Confident | 69.4 | Low | 123 Ų | 123 | 55.9 Ų | 55.9 | 80% | 0.799 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -72 | -24.5 | 173.1 | 22.4 | -24.4 | 0 | 0 | 0 | 112.4 | ||
| 77 | Q | 90.9 | Very high | 70 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 29% | 0.29 | 29% | 0.287 | S | S | . | . | trans | -100.4 | 154.4 | 174.9 | 69 | -76.6 | 1.8 | 0 | 0 | 111.8 | W75 L80 D178 | W75-Q77 VanDerWaalsContact C-N 3.27Å; W75-Q77 WeakPolarHBondContact CB-O 3.28Å; W75-Q77 VanDerWaalsContact CE3-NE2 3.3Å; Q77-L80 HydrophobicContact CG-CD2 3.88Å; Q77-D178 PolarHBondContact NE2-OD1 2.64Å | ||
| 78 | K | 91.2 | Very high | 70.1 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -99 | -20.6 | 175.8 | -66.7 | 179.9 | 171.5 | -176.1 | 0 | 113.7 | D166 L167 T168 Y276 | K78-D166 WeakPolarHBondContact CB-O 3.34Å; K78-D166 HydrophobicContact CD-CB 3.99Å; K78-D166 VanDerWaalsContact CD-OD2 3.23Å; K78-D166 WeakPolarHBondContact CD-OD2 3.42Å; K78-D166 WeakPolarHBondContact CE-OD2 3.29Å; K78-D166 IonicContact NZ-OD2 3.22Å; K78-D166 PolarHBondContact NZ-OD2 3.04Å; K78-L167 HydrophobicContact CB-CD2 4.45Å; K78-L167 CarbonylContact O-C 3.56Å; K78-L167 WeakPolarHBondContact O-CA 3.01Å; K78-T168 PolarHBondContact O-N 2.99Å; K78-Y276 VanDerWaalsContact CE-O 3.31Å; K78-Y276 WeakPolarHBondContact CE-O 3.39Å; K78-Y276 PolarHBondContact NZ-O 2.91Å |
| 79 | N | 93.7 | Very high | 70.4 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 100.3 | 176.2 | -59.7 | -19 | 0 | 0 | 0 | 107.8 | T168 | N79-T168 WeakPolarHBondContact CA-OG1 3.47Å; N79-T168 PolarHBondContact OD1-OG1 2.81Å |
| 80 | L | 93 | Very high | 70.4 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142.6 | -177 | -58 | 176 | 0 | 0 | 0 | 110.2 | W75 Q77 L167 T168 F169 T170 D178 I179 L239 | W75-L80 HydrophobicContact CB-CD2 3.69Å; W75-L80 VanDerWaalsContact CD1-CD1 3.45Å; W75-L80 HydrophobicContact CD2-CD2 3.69Å; W75-L80 HydrophobicContact CE3-CD2 4.31Å; W75-L80 HydrophobicContact CG-CD1 4.04Å; W75-L80 HydrophobicContact CG-CD2 3.38Å; W75-L80 HydrophobicContact CG-CG 4.37Å; Q77-L80 HydrophobicContact CG-CD2 3.88Å; L80-L167 HydrophobicContact CD1-CD1 4.44Å; L80-L167 HydrophobicContact CD1-CD2 3.96Å; L80-L167 HydrophobicContact CG-CD2 4.4Å; L80-T168 PolarHBondContact N-O 2.94Å; L80-F169 HydrophobicContact CB-CD1 3.92Å; L80-F169 HydrophobicContact CB-CE1 4.09Å; L80-F169 HydrophobicContact CD1-CD1 4.37Å; L80-F169 HydrophobicContact CD1-CE1 3.68Å; L80-F169 HydrophobicContact CD1-CZ 4.35Å; L80-F169 HydrophobicContact CG-CE1 4.44Å; L80-F169 CarbonylContact O-C 3.39Å; L80-F169 VanDerWaalsContact O-CA 3.29Å; L80-F169 WeakPolarHBondContact O-CA 3.33Å; L80-T170 PolarHBondContact O-N 2.78Å; L80-D178 HydrophobicContact CD2-CB 4.31Å; L80-I179 HydrophobicContact CB-CD1 4.41Å; L80-I179 HydrophobicContact CD1-CD1 4.34Å; L80-L239 HydrophobicContact CD1-CD2 3.94Å |
| 81 | T | 94.1 | Very high | 70.4 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.2 | 174.3 | 57.9 | 0 | 0 | 0 | 0 | 110 | T170 A177 D178 I179 | T81-T170 VanDerWaalsContact CA-O 3.26Å; T81-T170 WeakPolarHBondContact CA-O 3.32Å; T81-A177 WeakPolarHBondContact OG1-CA 3.36Å; T81-D178 PolarHBondContact N-OD2 3.33Å; T81-D178 WeakPolarHBondContact O-CB 3.42Å; T81-D178 PolarHBondContact O-N 3.08Å; T81-D178 VanDerWaalsContact O-N 3.1Å; T81-D178 PolarHBondContact OG1-N 2.73Å; T81-D178 PolarHBondContact OG1-OD2 2.81Å; T81-I179 PolarHBondContact O-N 3.36Å |
| 82 | Y | 91 | Very high | 69.9 | Low | 6 Ų | 6 | 74.3 Ų | 74.3 | 2% | 0.024 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151.5 | 174.8 | 71.6 | -86.2 | 0 | 0 | 0 | 111.3 | V154 L158 F169 T170 E171 T172 I179 I181 | Y82-V154 HydrophobicContact CD2-CG1 3.88Å; Y82-V154 HydrophobicContact CE2-CG1 3.62Å; Y82-L158 HydrophobicContact CD1-CD1 3.53Å; Y82-L158 HydrophobicContact CD2-CD1 4.17Å; Y82-L158 HydrophobicContact CE1-CD1 3.68Å; Y82-L158 HydrophobicContact CE2-CD1 4.31Å; Y82-L158 HydrophobicContact CG-CD1 3.78Å; Y82-F169 HydrophobicContact CD1-CB 4.08Å; Y82-F169 HydrophobicContact CE1-CB 4.09Å; Y82-T170 PolarHBondContact N-O 2.84Å; Y82-E171 HydrophobicContact CD2-CG 4.28Å; Y82-E171 HydrophobicContact CE1-CB 3.98Å; Y82-E171 VanDerWaalsContact CE1-N 3.35Å; Y82-E171 HydrophobicContact CE2-CB 3.86Å; Y82-E171 HydrophobicContact CE2-CG 3.74Å; Y82-E171 CarbonylContact O-C 3.46Å; Y82-E171 WeakPolarHBondContact O-CA 3.43Å; Y82-T172 PolarHBondContact O-N 3.42Å; Y82-I179 CarbonylContact C-O 3.57Å; Y82-I179 WeakPolarHBondContact CA-O 3.18Å; Y82-I181 HydrophobicContact CD2-CD1 4.21Å |
| 83 | K | 89.7 | Confident | 68.9 | Low | 23 Ų | 23 | 82.8 Ų | 82.8 | 10% | 0.1 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 130 | 175.8 | 176.9 | 173.9 | 178.3 | 177.7 | 0 | 110.7 | R85 T172 Q173 D174 D175 A177 I179 L180 I181 | K83-R85 PolarHBondContact O-N 2.55Å; K83-T172 HydrophobicContact CB-CG2 4.37Å; K83-Q173 WeakPolarHBondContact CE-O 3.32Å; K83-Q173 PolarHBondContact NZ-O 3.48Å; K83-D174 WeakPolarHBondContact CD-O 3.37Å; K83-D175 IonicContact NZ-OD1 3.94Å; K83-D175 PolarHBondContact NZ-OD1 3.31Å; K83-D175 IonicContact NZ-OD2 3.61Å; K83-A177 HydrophobicContact CB-CB 3.89Å; K83-I179 PolarHBondContact N-O 2.7Å; K83-L180 HydrophobicContact CB-CD2 4.09Å; K83-I181 PolarHBondContact O-N 3.28Å |
| 84 | L | 85.5 | Confident | 67.3 | Low | 11 Ų | 11 | 87.5 Ų | 87.5 | 6% | 0.058 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 106.6 | 163.7 | -77.5 | 163.3 | 0 | 0 | 0 | 108.8 | Y87 L147 T150 R151 V154 I181 | L84-Y87 HydrophobicContact CB-CD2 4.4Å; L84-Y87 HydrophobicContact CD2-CD2 4.41Å; L84-Y87 HydrophobicContact CD2-CE2 4.42Å; L84-L147 HydrophobicContact CD1-CD1 4.33Å; L84-T150 HydrophobicContact CD1-CG2 4.3Å; L84-T150 HydrophobicContact CD2-CG2 3.92Å; L84-R151 HydrophobicContact CD1-CB 4.32Å; L84-R151 HydrophobicContact CD1-CG 3.46Å; L84-R151 VanDerWaalsContact CD1-CG 3.46Å; L84-V154 HydrophobicContact CD2-CG2 4.12Å; L84-I181 HydrophobicContact CD2-CB 3.9Å; L84-I181 HydrophobicContact CD2-CG2 3.68Å |
| 85 | R | 77.6 | Confident | 65.1 | Low | 97 Ų | 97 | 93 Ų | 93 | 37% | 0.366 | 47% | 0.469 | S | S | . | . | trans | -94.8 | 150.3 | 177.6 | -176.6 | 176 | -171.6 | -167.6 | 12.4 | 109.3 | K83 Y87 I181 E182 | K83-R85 PolarHBondContact O-N 2.55Å; R85-Y87 VanDerWaalsContact C-N 3.27Å; R85-Y87 PolarHBondContact O-N 2.74Å; R85-I181 PolarHBondContact N-O 3.44Å; R85-E182 HydrophobicContact CB-CG 3.85Å; R85-E182 HydrophobicContact CG-CG 4.28Å; R85-E182 IonicContact NH1-OE2 3.96Å; R85-E182 PolarHBondContact NH1-OE2 3.27Å | ||
| 86 | N | 62.2 | Low | 62.6 | Low | 86 Ų | 86 | 98 Ų | 98 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | S | Bend | trans | 68.5 | 13.6 | -172.9 | -52.3 | -34 | 0 | 0 | 0 | 116.1 | E182 | N86-E182 PolarHBondContact ND2-OE1 2.87Š|
| 87 | Y | 51.1 | Low | 60.1 | Low | 47 Ų | 47 | 95.1 Ų | 95.1 | 18% | 0.184 | 50% | 0.497 | C | S | . | . | trans | -107.4 | 94.4 | 161.2 | -80.9 | -94.6 | 0 | 0 | 0 | 110.1 | L84 R85 T142 L147 T150 F183 | L84-Y87 HydrophobicContact CB-CD2 4.4Å; L84-Y87 HydrophobicContact CD2-CD2 4.41Å; L84-Y87 HydrophobicContact CD2-CE2 4.42Å; R85-Y87 VanDerWaalsContact C-N 3.27Å; R85-Y87 PolarHBondContact O-N 2.74Å; Y87-T142 HydrophobicContact CE2-CG2 4.4Å; Y87-T142 VanDerWaalsContact OH-CG2 3.25Å; Y87-T142 WeakPolarHBondContact OH-CG2 3.36Å; Y87-L147 HydrophobicContact CD1-CB 3.85Å; Y87-L147 HydrophobicContact CD1-CD1 3.7Å; Y87-L147 HydrophobicContact CD1-CG 4.31Å; Y87-L147 HydrophobicContact CE1-CB 4.37Å; Y87-L147 HydrophobicContact CE1-CD1 4.48Å; Y87-L147 HydrophobicContact CG-CD1 3.79Å; Y87-T150 HydrophobicContact CE2-CG2 4Å; Y87-T150 WeakPolarHBondContact OH-CG2 3.48Å; Y87-T150 PolarHBondContact OH-OG1 3.42Å; Y87-F183 AromaticContact CE2-CD2 3.73Å; Y87-F183 HydrophobicContact CE2-CD2 3.73Å; Y87-F183 AromaticContact CE2-CE2 3.53Å; Y87-F183 HydrophobicContact CE2-CE2 3.53Å; Y87-F183 HydrophobicContact CE2-CZ 4.47Å | ||
| 88 | G | 34.7 | Very low | 57.2 | Low | 70 Ų | 70 | 98.1 Ų | 98.1 | 72% | 0.722 | 52% | 0.522 | S | S | * | . | trans | 160.3 | 32.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 89 | L | 35.8 | Very low | 54.5 | Low | 177 Ų | 177 | 104.8 Ų | 104.8 | 93% | 0.927 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -125.1 | 6.5 | 165.9 | -83 | 171.6 | 0 | 0 | 0 | 115.5 | ||
| 90 | E | 34.4 | Very low | 51.5 | Low | 144 Ų | 144 | 106 Ų | 106 | 67% | 0.673 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -128.6 | 21.1 | -175.4 | -144.5 | 153 | -155.2 | 0 | 0 | 115.4 | ||
| 91 | Y | 36.1 | Very low | 48.5 | Very low | 195 Ų | 195 | 115.6 Ų | 115.6 | 77% | 0.765 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -105.5 | 17.6 | 172.3 | -99.1 | -79.5 | 0 | 0 | 0 | 114.8 | ||
| 92 | L | 34.1 | Very low | 45.3 | Very low | 155 Ų | 155 | 120 Ų | 120 | 81% | 0.812 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -101.7 | -1.7 | 170.7 | -73.3 | 174.6 | 0 | 0 | 0 | 114.2 | ||
| 93 | F | 32.6 | Very low | 42.5 | Very low | 188 Ų | 188 | 127 Ų | 127 | 83% | 0.825 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -136 | 4.8 | -172.9 | -68.9 | -68.7 | 0 | 0 | 0 | 117.8 | Q95 | F93-Q95 PolarHBondContact O-N 2.75Š|
| 94 | D | 33.2 | Very low | 39.6 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | trans | -105.5 | 74.3 | -179.2 | -146.2 | 16.5 | 0 | 0 | 0 | 112.7 | ||||
| 95 | Q | 33.1 | Very low | 36.9 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -116.8 | 138 | 156.1 | -74.6 | -70.2 | -53 | 0 | 0 | 107.1 | F93 G97 | F93-Q95 PolarHBondContact O-N 2.75Å; Q95-G97 PolarHBondContact O-N 2.82Å; Q95-G97 VanDerWaalsContact O-N 3.15Å |
| 96 | P | 32.1 | Very low | 34.7 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -76.8 | 110.6 | -162.1 | 31.1 | -32.9 | 0 | 0 | 0 | 110.4 | ||
| 97 | G | 35.8 | Very low | 33.1 | Very low | 63 Ų | 63 | 151.6 Ų | 151.6 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | trans | -179.6 | 130.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q95 | Q95-G97 PolarHBondContact O-N 2.82Å; Q95-G97 VanDerWaalsContact O-N 3.15Å | ||
| 98 | P | 31.2 | Very low | 32 | Very low | 126 Ų | 126 | 158.9 Ų | 158.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -82.7 | 125.9 | 176.3 | 32.5 | -28.5 | 0 | 0 | 0 | 109.6 | ||||
| 99 | R | 33.6 | Very low | 31.7 | Very low | 227 Ų | 227 | 164.7 Ų | 164.7 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | 160 | 116.7 | 147.9 | -89.8 | 160.4 | -173 | -152.2 | 3.6 | 109.4 | ||||
| 100 | I | 29.8 | Very low | 31.4 | Very low | 136 Ų | 136 | 165 Ų | 165 | 70% | 0.697 | 79% | 0.792 | S | S | * | * | 64.6 | 122.8 | 95.2 | -70.3 | 179.1 | 0 | 0 | 0 | 109.8 | |||||
| 101 | R | 29.9 | Very low | 31 | Very low | 200 Ų | 200 | 166.8 Ų | 166.8 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | 172.9 | 158.6 | 18.1 | -121.5 | -170.6 | -155.2 | -159.9 | -0.4 | 108.4 | ||||
| 102 | I | 28.4 | Very low | 30.8 | Very low | 136 Ų | 136 | 160.8 Ų | 160.8 | 70% | 0.697 | 80% | 0.802 | S | S | * | * | trans | 77.3 | 134.6 | 148.9 | -52.6 | 156.3 | 0 | 0 | 0 | 113.2 | ||||
| 103 | I | 32.2 | Very low | 30.6 | Very low | 152 Ų | 152 | 159.7 Ų | 159.7 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | cis | -154.2 | 144.4 | 46.5 | -60.8 | 155.7 | 0 | 0 | 0 | 112.6 | ||||
| 104 | E | 28.9 | Very low | 30.5 | Very low | 170 Ų | 170 | 161.8 Ų | 161.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -38.2 | 161.6 | 169.3 | -54.4 | 160.2 | 147.3 | 0 | 0 | 114.6 | ||||
| 105 | R | 28.9 | Very low | 30.5 | Very low | 219 Ų | 219 | 161.9 Ų | 161.9 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | 179.1 | 164.4 | 61.5 | -141.3 | 166.2 | 85.4 | 157.7 | 4.9 | 109.2 | |||||
| 106 | D | 31.4 | Very low | 30.6 | Very low | 146 Ų | 146 | 158.7 Ų | 158.7 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | 108.4 | 39.8 | 168.8 | -53.3 | -14 | 0 | 0 | 0 | 118.1 | ||||
| 107 | F | 28.5 | Very low | 30.8 | Very low | 199 Ų | 199 | 161.1 Ų | 161.1 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | trans | -115.7 | 48.5 | 166.7 | -159.6 | -98.2 | 0 | 0 | 0 | 113.9 | ||||
| 108 | F | 27.4 | Very low | 30.7 | Very low | 200 Ų | 200 | 165.9 Ų | 165.9 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -155 | 96.2 | 165.9 | -91.2 | -76.4 | 0 | 0 | 0 | 111.3 | ||||
| 109 | H | 29.1 | Very low | 30.7 | Very low | 193 Ų | 193 | 168.9 Ų | 168.9 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -166.9 | 54.6 | 158.5 | -121.6 | -80.4 | 0 | 0 | 0 | 114.2 | ||||
| 110 | M | 28.3 | Very low | 30.8 | Very low | 183 Ų | 183 | 162.4 Ų | 162.4 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -161.7 | 47.4 | 162.2 | -139.4 | 179.6 | -72.3 | 0 | 0 | 116.3 | ||||
| 111 | L | 27.2 | Very low | 31.1 | Very low | 181 Ų | 181 | 163.2 Ų | 163.2 | 95% | 0.948 | 83% | 0.828 | S | S | * | * | trans | -132.2 | 96.4 | 161 | -74.5 | 176.5 | 0 | 0 | 0 | 109.9 | ||||
| 112 | G | 30.1 | Very low | 31 | Very low | 69 Ų | 69 | 164.9 Ų | 164.9 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | -94.2 | 107.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 113 | T | 30.9 | Very low | 31.2 | Very low | 133 Ų | 133 | 167.2 Ų | 167.2 | 82% | 0.816 | 84% | 0.84 | S | S | * | * | trans | 43.4 | 112.2 | 137.1 | 60.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 114 | Y | 30 | Very low | 31 | Very low | 231 Ų | 231 | 168.1 Ų | 168.1 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | -157.9 | 133.7 | 122.7 | -142.6 | -102.4 | 0 | 0 | 0 | 112.5 | |||||
| 115 | N | 33.6 | Very low | 31.1 | Very low | 142 Ų | 142 | 166.5 Ų | 166.5 | 76% | 0.759 | 84% | 0.842 | S | S | * | * | trans | -72.3 | 150.8 | -174.3 | -73.8 | -47.7 | 0 | 0 | 0 | 114 | ||||
| 116 | A | 34.6 | Very low | 31 | Very low | 99 Ų | 99 | 167.3 Ų | 167.3 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | 170.4 | 135.9 | 113 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 117 | H | 36.3 | Very low | 30.8 | Very low | 179 Ų | 179 | 165.7 Ų | 165.7 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | trans | -41.8 | 134.9 | -179.3 | -54 | -25.9 | 0 | 0 | 0 | 119.3 | ||||
| 118 | N | 34.8 | Very low | 30.7 | Very low | 162 Ų | 162 | 160.3 Ų | 160.3 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | -170.2 | 121.1 | 111.5 | -127.8 | -29.5 | 0 | 0 | 0 | 112.4 | |||||
| 119 | E | 31.3 | Very low | 30.6 | Very low | 190 Ų | 190 | 161.2 Ų | 161.2 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -91.1 | 104.7 | 170.1 | -79.7 | 178.4 | 122.3 | 0 | 0 | 110 | ||||
| 120 | A | 35.1 | Very low | 30.4 | Very low | 90 Ų | 90 | 155.6 Ų | 155.6 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | trans | -167 | 144.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 121 | V | 35.7 | Very low | 30.4 | Very low | 154 Ų | 154 | 156.3 Ų | 156.3 | 93% | 0.933 | 82% | 0.817 | S | S | * | * | trans | 89 | 62 | -173.7 | -163.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 122 | R | 28.3 | Very low | 30.3 | Very low | 234 Ų | 234 | 158.9 Ų | 158.9 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -119.5 | 108.2 | 160.1 | -146.4 | -178.3 | -172.6 | -179.5 | 1.8 | 105.3 | ||||
| 123 | K | 31.7 | Very low | 30.2 | Very low | 186 Ų | 186 | 161.4 Ų | 161.4 | 81% | 0.809 | 82% | 0.815 | S | S | * | * | trans | 148.7 | 131.8 | 148.6 | -83.7 | 174.5 | 177.7 | -179.5 | 0 | 114.3 | ||||
| 124 | H | 29.7 | Very low | 29.9 | Very low | 170 Ų | 170 | 162.6 Ų | 162.6 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | trans | 80.8 | 104.8 | 174.1 | -54.9 | 83.1 | 0 | 0 | 0 | 113.2 | ||||
| 125 | V | 31.1 | Very low | 30 | Very low | 136 Ų | 136 | 156.7 Ų | 156.7 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | -153.3 | 122.6 | 56.3 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 126 | W | 25.4 | Very low | 29.6 | Very low | 237 Ų | 237 | 155.3 Ų | 155.3 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | 24.8 | 120.2 | 149.2 | -72.4 | 60.7 | 0 | 0 | 0 | 121.8 | ||||
| 127 | S | 27.4 | Very low | 29.2 | Very low | 112 Ų | 112 | 161.5 Ų | 161.5 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | 77 | 125.9 | 154.1 | -163.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 128 | S | 26.5 | Very low | 28.6 | Very low | 85 Ų | 85 | 160.3 Ų | 160.3 | 59% | 0.594 | 81% | 0.808 | S | S | * | * | cis | -169.6 | 128.8 | -13.1 | -79.1 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 129 | Y | 26.3 | Very low | 28.3 | Very low | 219 Ų | 219 | 158.1 Ų | 158.1 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | 61.9 | 107.3 | 165.5 | -53.7 | -74.4 | 0 | 0 | 0 | 118 | ||||
| 130 | A | 25.1 | Very low | 28.2 | Very low | 76 Ų | 76 | 151.9 Ų | 151.9 | 63% | 0.628 | 78% | 0.777 | S | S | * | * | 57.8 | 112.4 | 83.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 131 | F | 27.5 | Very low | 28.4 | Very low | 198 Ų | 198 | 152.1 Ų | 152.1 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | -163.3 | 125.2 | 60.6 | -81.1 | -99.6 | 0 | 0 | 0 | 106.4 | |||||
| 132 | R | 25.3 | Very low | 29 | Very low | 234 Ų | 234 | 145.1 Ų | 145.1 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | 34.1 | 107.5 | 74.8 | -107.6 | -171.3 | -178 | -174.8 | 0.7 | 117.2 | |||||
| 133 | V | 27.5 | Very low | 30.1 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | trans | 85.4 | 108.8 | 144 | -160.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 134 | L | 25.7 | Very low | 31.6 | Very low | 158 Ų | 158 | 136 Ų | 136 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | trans | 6.2 | 168.8 | 145.1 | -58 | 171 | 0 | 0 | 0 | 120.8 | ||||
| 135 | P | 31.4 | Very low | 33.4 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 70% | 0.695 | 66% | 0.661 | S | S | * | * | cis | -128.1 | 171.6 | -45.5 | 35.4 | -18.9 | 0 | 0 | 0 | 111.3 | ||||
| 136 | S | 25 | Very low | 35.3 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 64% | 0.635 | S | S | * | * | trans | 75.5 | 138.1 | 171.1 | 78.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 137 | R | 25.5 | Very low | 37.7 | Very low | 229 Ų | 229 | 114 Ų | 114 | 86% | 0.864 | 60% | 0.601 | S | S | * | * | trans | 81.8 | 118.5 | 161.5 | -80.2 | 176.9 | 162 | 168.5 | -5.3 | 119.3 | ||||
| 138 | I | 24.7 | Very low | 40.1 | Very low | 154 Ų | 154 | 111.3 Ų | 111.3 | 79% | 0.79 | 59% | 0.591 | S | S | * | * | trans | 95.7 | 103.5 | 151.8 | -53.7 | 153.9 | 0 | 0 | 0 | 116.7 | ||||
| 139 | V | 27.3 | Very low | 42.4 | Very low | 116 Ų | 116 | 113.9 Ų | 113.9 | 70% | 0.703 | 59% | 0.587 | S | S | * | * | trans | -149.3 | 98.6 | 152.5 | -168 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 140 | S | 31.1 | Very low | 44.9 | Very low | 59 Ų | 59 | 103.4 Ų | 103.4 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | 66.5 | 142.7 | 89.9 | 159.4 | 0 | 0 | 0 | 0 | 113.3 | N219 | S140-N219 PolarHBondContact O-ND2 3.48Š| |||
| 141 | F | 39.2 | Very low | 47.7 | Very low | 94 Ų | 94 | 103.7 Ų | 103.7 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | cis | 166.1 | 131.8 | -23.1 | -87.6 | -59.6 | 0 | 0 | 0 | 104.6 | N219 | F141-N219 VanDerWaalsContact C-CG 3.43Å; F141-N219 VanDerWaalsContact C-ND2 3.34Å; F141-N219 PolarHBondContact N-ND2 2.84Å; F141-N219 PolarHBondContact N-OD1 3Å; F141-N219 VanDerWaalsContact O-CG 3.29Å; F141-N219 PolarHBondContact O-ND2 3.29Å; F141-N219 PolarHBondContact O-OD1 2.97Å | ||
| 142 | T | 47.6 | Very low | 50.2 | Low | 7 Ų | 7 | 102.5 Ų | 102.5 | 4% | 0.043 | 52% | 0.521 | C | S | . | . | trans | -103.5 | 101.3 | 170 | 156.5 | 0 | 0 | 0 | 0 | 108.1 | Y87 H144 F183 N219 | Y87-T142 HydrophobicContact CE2-CG2 4.4Å; Y87-T142 VanDerWaalsContact OH-CG2 3.25Å; Y87-T142 WeakPolarHBondContact OH-CG2 3.36Å; T142-H144 PolarHBondContact O-N 3.47Å; T142-F183 HydrophobicContact CG2-CB 3.69Å; T142-F183 HydrophobicContact CG2-CD1 3.14Å; T142-F183 HydrophobicContact CG2-CD2 3.59Å; T142-F183 HydrophobicContact CG2-CE1 3.44Å; T142-F183 VanDerWaalsContact CG2-CE1 3.44Å; T142-F183 HydrophobicContact CG2-CE2 3.89Å; T142-F183 HydrophobicContact CG2-CG 3.19Å; T142-F183 HydrophobicContact CG2-CZ 3.76Å; T142-N219 VanDerWaalsContact CA-OD1 3.28Å; T142-N219 WeakPolarHBondContact CA-OD1 3.38Å; T142-N219 VanDerWaalsContact CB-OD1 3.3Å; T142-N219 WeakPolarHBondContact CB-OD1 3.42Å; T142-N219 PolarHBondContact N-OD1 3.31Å | ||
| 143 | N | 51.8 | Low | 52.7 | Low | 137 Ų | 137 | 91.6 Ų | 91.6 | 73% | 0.733 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 10.5 | 178.1 | -73.5 | -21.2 | 0 | 0 | 0 | 112.6 | ||
| 144 | H | 62.6 | Low | 55.3 | Low | 92 Ų | 92 | 85.9 Ų | 85.9 | 43% | 0.426 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -30.1 | -163.5 | -58.8 | -60.7 | 0 | 0 | 0 | 114.3 | T142 W223 | T142-H144 PolarHBondContact O-N 3.47Å; H144-W223 HydrophobicContact CB-CB 4.4Å; H144-W223 VanDerWaalsContact CB-O 3.27Å; H144-W223 WeakPolarHBondContact CB-O 3.34Å |
| 145 | L | 67.5 | Low | 58.1 | Low | 21 Ų | 21 | 83.7 Ų | 83.7 | 11% | 0.11 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -31.7 | -178.4 | -71.2 | 175.2 | 0 | 0 | 0 | 113.6 | R149 W223 E225 F228 | L145-R149 HydrophobicContact CB-CB 4.14Å; L145-R149 VanDerWaalsContact O-CD 3.24Å; L145-R149 WeakPolarHBondContact O-CD 3.27Å; L145-W223 HydrophobicContact CD1-CB 4.03Å; L145-W223 HydrophobicContact CG-CB 4.38Å; L145-E225 HydrophobicContact CD2-CG 3.79Å; L145-F228 HydrophobicContact CD1-CB 3.73Å; L145-F228 HydrophobicContact CD1-CD2 3.95Å; L145-F228 HydrophobicContact CD1-CG 3.85Å |
| 146 | G | 71.8 | Confident | 60.4 | Low | 27 Ų | 27 | 81.9 Ų | 81.9 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | trans | 75.4 | 151.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G148 R149 T150 | G146-G148 VanDerWaalsContact C-N 3.33Å; G146-G148 PolarHBondContact O-N 3.45Å; G146-G148 VanDerWaalsContact O-N 3.15Å; G146-R149 PolarHBondContact O-N 3.33Å; G146-R149 VanDerWaalsContact O-N 3.1Å; G146-T150 PolarHBondContact O-N 2.89Å; G146-T150 PolarHBondContact O-OG1 3.05Å | ||
| 147 | L | 74.6 | Confident | 63.1 | Low | 33 Ų | 33 | 76.9 Ų | 76.9 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.2 | -43.3 | -166.5 | 178.1 | 53.2 | 0 | 0 | 0 | 114.4 | L84 Y87 R149 T150 R151 | L84-L147 HydrophobicContact CD1-CD1 4.33Å; Y87-L147 HydrophobicContact CD1-CB 3.85Å; Y87-L147 HydrophobicContact CD1-CD1 3.7Å; Y87-L147 HydrophobicContact CD1-CG 4.31Å; Y87-L147 HydrophobicContact CE1-CB 4.37Å; Y87-L147 HydrophobicContact CE1-CD1 4.48Å; Y87-L147 HydrophobicContact CG-CD1 3.79Å; L147-R149 VanDerWaalsContact C-N 3.33Å; L147-R149 PolarHBondContact O-N 2.69Å; L147-T150 PolarHBondContact O-N 2.74Å; L147-R151 HydrophobicContact CD1-CG 3.89Å; L147-R151 WeakPolarHBondContact O-CB 3.47Å; L147-R151 WeakPolarHBondContact O-CG 3.31Å; L147-R151 PolarHBondContact O-N 3.38Å |
| 148 | G | 77.2 | Confident | 66 | Low | 55 Ų | 55 | 66.4 Ų | 66.4 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.2 | -37.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G146 R152 | G146-G148 VanDerWaalsContact C-N 3.33Å; G146-G148 PolarHBondContact O-N 3.45Å; G146-G148 VanDerWaalsContact O-N 3.15Å; G148-R152 PolarHBondContact O-N 2.62Å |
| 149 | R | 76.2 | Confident | 68.9 | Low | 139 Ų | 139 | 60.3 Ų | 60.3 | 53% | 0.525 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -75.2 | -43.5 | 177.5 | -67.2 | 176.1 | -174.8 | -152.4 | 18.1 | 110.5 | L145 G146 L147 R151 R152 A153 E225 | L145-R149 HydrophobicContact CB-CB 4.14Å; L145-R149 VanDerWaalsContact O-CD 3.24Å; L145-R149 WeakPolarHBondContact O-CD 3.27Å; G146-R149 PolarHBondContact O-N 3.33Å; G146-R149 VanDerWaalsContact O-N 3.1Å; L147-R149 VanDerWaalsContact C-N 3.33Å; L147-R149 PolarHBondContact O-N 2.69Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.4Å; R149-R152 PolarHBondContact O-N 2.79Å; R149-A153 VanDerWaalsContact O-CB 3.27Å; R149-A153 WeakPolarHBondContact O-CB 3.29Å; R149-A153 PolarHBondContact O-N 2.85Å; R149-E225 WeakPolarHBondContact CD-OE1 3.45Å; R149-E225 WeakPolarHBondContact CG-OE1 3.45Å; R149-E225 IonicContact CZ-OE1 3.07Å; R149-E225 VanDerWaalsContact CZ-OE1 3.28Å; R149-E225 IonicContact NE-OE1 3.79Å; R149-E225 PolarHBondContact NE-OE1 3.25Å; R149-E225 IonicContact NH1-OE1 3.2Å; R149-E225 PolarHBondContact NH1-OE1 3.44Å; R149-E225 IonicContact NH1-OE2 2.7Å |
| 150 | T | 78.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 174.8 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | L84 Y87 G146 L147 A153 V154 F183 F228 | L84-T150 HydrophobicContact CD1-CG2 4.3Å; L84-T150 HydrophobicContact CD2-CG2 3.92Å; Y87-T150 HydrophobicContact CE2-CG2 4Å; Y87-T150 WeakPolarHBondContact OH-CG2 3.48Å; Y87-T150 PolarHBondContact OH-OG1 3.42Å; G146-T150 PolarHBondContact O-N 2.89Å; G146-T150 PolarHBondContact O-OG1 3.05Å; L147-T150 PolarHBondContact O-N 2.74Å; T150-A153 PolarHBondContact O-N 3.41Å; T150-V154 WeakPolarHBondContact O-CG2 3.48Å; T150-V154 PolarHBondContact O-N 2.85Å; T150-F183 HydrophobicContact CG2-CE2 4.04Å; T150-F183 HydrophobicContact CG2-CZ 4.03Å; T150-F228 HydrophobicContact CG2-CE1 4.45Å; T150-F228 HydrophobicContact CG2-CZ 4.02Å |
| 151 | R | 83.3 | Confident | 74.3 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 176.6 | -88.2 | 177.2 | 159.1 | 160.1 | -1.6 | 112.9 | L84 L147 R149 A153 F155 E171 | L84-R151 HydrophobicContact CD1-CB 4.32Å; L84-R151 HydrophobicContact CD1-CG 3.46Å; L84-R151 VanDerWaalsContact CD1-CG 3.46Å; L147-R151 HydrophobicContact CD1-CG 3.89Å; L147-R151 WeakPolarHBondContact O-CB 3.47Å; L147-R151 WeakPolarHBondContact O-CG 3.31Å; L147-R151 PolarHBondContact O-N 3.38Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.4Å; R151-A153 VanDerWaalsContact C-N 3.31Å; R151-A153 PolarHBondContact O-N 3.15Å; R151-F155 WeakPolarHBondContact O-CB 3.42Å; R151-F155 PolarHBondContact O-N 3.24Å; R151-E171 IonicContact CZ-OE1 2.64Å; R151-E171 IonicContact NE-OE1 2.79Å; R151-E171 PolarHBondContact NE-OE1 3.39Å; R151-E171 IonicContact NE-OE2 2.7Å; R151-E171 PolarHBondContact NE-OE2 3.02Å; R151-E171 IonicContact NH2-OE1 3.05Å; R151-E171 PolarHBondContact NH2-OE1 3.01Å |
| 152 | R | 80.2 | Confident | 76.7 | Confident | 173 Ų | 173 | 50.5 Ų | 50.5 | 65% | 0.653 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.6 | -46.6 | 177.6 | 176.8 | 174 | -66.6 | 162.5 | -0.4 | 110.8 | G148 R149 V154 F155 D156 | G148-R152 PolarHBondContact O-N 2.62Å; R149-R152 PolarHBondContact O-N 2.79Å; R152-V154 PolarHBondContact O-N 3.29Å; R152-F155 WeakPolarHBondContact O-CB 3.28Å; R152-F155 PolarHBondContact O-N 3.31Å; R152-F155 VanDerWaalsContact O-N 3.15Å; R152-D156 WeakPolarHBondContact CG-OD2 3.31Å; R152-D156 WeakPolarHBondContact O-CB 3.23Å; R152-D156 VanDerWaalsContact O-CG 3.27Å; R152-D156 PolarHBondContact O-N 2.79Å |
| 153 | A | 77.5 | Confident | 78.6 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R149 T150 R151 D156 A157 F228 D229 | R149-A153 VanDerWaalsContact O-CB 3.27Å; R149-A153 WeakPolarHBondContact O-CB 3.29Å; R149-A153 PolarHBondContact O-N 2.85Å; T150-A153 PolarHBondContact O-N 3.41Å; R151-A153 VanDerWaalsContact C-N 3.31Å; R151-A153 PolarHBondContact O-N 3.15Å; A153-D156 PolarHBondContact O-N 3.01Å; A153-A157 WeakPolarHBondContact O-CB 3.32Å; A153-A157 PolarHBondContact O-N 3.25Å; A153-F228 HydrophobicContact CB-CD1 3.2Å; A153-F228 HydrophobicContact CB-CE1 3.64Å; A153-F228 HydrophobicContact CB-CG 4.18Å; A153-D229 WeakPolarHBondContact CA-OD1 3.44Å; A153-D229 WeakPolarHBondContact CB-OD1 3.23Å |
| 154 | V | 82.7 | Confident | 80.2 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 170.1 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | Y82 L84 T150 R152 D156 A157 L158 I181 F228 | Y82-V154 HydrophobicContact CD2-CG1 3.88Å; Y82-V154 HydrophobicContact CE2-CG1 3.62Å; L84-V154 HydrophobicContact CD2-CG2 4.12Å; T150-V154 WeakPolarHBondContact O-CG2 3.48Å; T150-V154 PolarHBondContact O-N 2.85Å; R152-V154 PolarHBondContact O-N 3.29Å; V154-D156 PolarHBondContact O-N 3.38Å; V154-A157 PolarHBondContact O-N 2.87Å; V154-L158 HydrophobicContact CG1-CD1 3.88Å; V154-L158 HydrophobicContact CG1-CG 4.39Å; V154-L158 WeakPolarHBondContact O-CG 3.19Å; V154-L158 PolarHBondContact O-N 3.4Å; V154-I181 HydrophobicContact CB-CD1 4.35Å; V154-I181 HydrophobicContact CG1-CD1 3.4Å; V154-I181 HydrophobicContact CG2-CD1 3.94Å; V154-F228 HydrophobicContact CG2-CE1 3.86Å; V154-F228 HydrophobicContact CG2-CZ 4.08Å |
| 155 | F | 84 | Confident | 81.5 | Confident | 111 Ų | 111 | 44.9 Ų | 44.9 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 178.9 | 175.4 | -88.8 | 0 | 0 | 0 | 111.7 | R151 R152 L158 S159 | R151-F155 WeakPolarHBondContact O-CB 3.42Å; R151-F155 PolarHBondContact O-N 3.24Å; R152-F155 WeakPolarHBondContact O-CB 3.28Å; R152-F155 PolarHBondContact O-N 3.31Å; R152-F155 VanDerWaalsContact O-N 3.15Å; F155-L158 PolarHBondContact O-N 2.87Å; F155-S159 WeakPolarHBondContact CE1-OG 3.34Å; F155-S159 WeakPolarHBondContact O-CB 3.46Å; F155-S159 PolarHBondContact O-N 2.89Å; F155-S159 PolarHBondContact O-OG 3.5Å |
| 156 | D | 80.4 | Confident | 82.7 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 179.8 | -69.1 | -20.4 | 0 | 0 | 0 | 110.4 | R152 A153 V154 S159 V160 | R152-D156 WeakPolarHBondContact CG-OD2 3.31Å; R152-D156 WeakPolarHBondContact O-CB 3.23Å; R152-D156 VanDerWaalsContact O-CG 3.27Å; R152-D156 PolarHBondContact O-N 2.79Å; A153-D156 PolarHBondContact O-N 3.01Å; V154-D156 PolarHBondContact O-N 3.38Å; D156-S159 WeakPolarHBondContact O-CB 3.48Å; D156-S159 PolarHBondContact O-N 3.38Å; D156-V160 PolarHBondContact O-N 3.27Å |
| 157 | A | 82.3 | Confident | 83.7 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A153 V154 S159 S232 | A153-A157 WeakPolarHBondContact O-CB 3.32Å; A153-A157 PolarHBondContact O-N 3.25Å; V154-A157 PolarHBondContact O-N 2.87Å; A157-S159 VanDerWaalsContact C-N 3.29Å; A157-S159 PolarHBondContact O-N 2.93Å; A157-S232 WeakPolarHBondContact CB-OG 3.44Å |
| 158 | L | 86.3 | Confident | 84.6 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.8 | -30.9 | 175.7 | -68.8 | 176.3 | 0 | 0 | 0 | 111.9 | Y82 V154 F155 V160 W161 S162 F169 | Y82-L158 HydrophobicContact CD1-CD1 3.53Å; Y82-L158 HydrophobicContact CD2-CD1 4.17Å; Y82-L158 HydrophobicContact CE1-CD1 3.68Å; Y82-L158 HydrophobicContact CE2-CD1 4.31Å; Y82-L158 HydrophobicContact CG-CD1 3.78Å; V154-L158 HydrophobicContact CG1-CD1 3.88Å; V154-L158 HydrophobicContact CG1-CG 4.39Å; V154-L158 WeakPolarHBondContact O-CG 3.19Å; V154-L158 PolarHBondContact O-N 3.4Å; F155-L158 PolarHBondContact O-N 2.87Å; L158-V160 VanDerWaalsContact C-N 3.3Å; L158-V160 PolarHBondContact O-N 2.89Å; L158-W161 PolarHBondContact O-N 2.87Å; L158-S162 PolarHBondContact O-N 3.15Å; L158-S162 VanDerWaalsContact O-N 3.14Å; L158-F169 HydrophobicContact CB-CB 4.21Å; L158-F169 HydrophobicContact CB-CD1 4.39Å; L158-F169 HydrophobicContact CB-CD2 3.77Å; L158-F169 HydrophobicContact CB-CE2 4.21Å; L158-F169 HydrophobicContact CB-CG 3.87Å; L158-F169 HydrophobicContact CD1-CB 4.06Å; L158-F169 HydrophobicContact CD1-CD1 4.08Å; L158-F169 HydrophobicContact CD1-CG 4.07Å; L158-F169 HydrophobicContact CD2-CD1 3.9Å; L158-F169 HydrophobicContact CD2-CE1 3.81Å; L158-F169 HydrophobicContact CD2-CE2 4.43Å; L158-F169 HydrophobicContact CD2-CG 4.25Å; L158-F169 HydrophobicContact CD2-CZ 4.09Å; L158-F169 HydrophobicContact CG-CD1 4.36Å; L158-F169 HydrophobicContact CG-CG 4.29Å; L158-F169 WeakPolarHBondContact O-CD2 3.34Å; L158-F169 VanDerWaalsContact O-CE2 3.3Å; L158-F169 WeakPolarHBondContact O-CE2 3.28Å |
| 159 | S | 84.7 | Confident | 85.3 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 178.7 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | F155 D156 A157 W161 S162 E163 | F155-S159 WeakPolarHBondContact CE1-OG 3.34Å; F155-S159 WeakPolarHBondContact O-CB 3.46Å; F155-S159 PolarHBondContact O-N 2.89Å; F155-S159 PolarHBondContact O-OG 3.5Å; D156-S159 WeakPolarHBondContact O-CB 3.48Å; D156-S159 PolarHBondContact O-N 3.38Å; A157-S159 VanDerWaalsContact C-N 3.29Å; A157-S159 PolarHBondContact O-N 2.93Å; S159-W161 PolarHBondContact O-N 2.83Å; S159-S162 WeakPolarHBondContact CA-OG 3.46Å; S159-S162 PolarHBondContact O-N 3.42Å; S159-S162 VanDerWaalsContact O-N 3.09Å; S159-S162 PolarHBondContact O-OG 3.43Å; S159-E163 WeakPolarHBondContact O-CG 3.06Å; S159-E163 PolarHBondContact O-N 2.77Å |
| 160 | V | 84.2 | Confident | 86.1 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -51.9 | -42.5 | 176.3 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | D156 L158 A164 V262 L264 | D156-V160 PolarHBondContact O-N 3.27Å; L158-V160 VanDerWaalsContact C-N 3.3Å; L158-V160 PolarHBondContact O-N 2.89Å; V160-A164 PolarHBondContact O-N 2.8Å; V160-V262 HydrophobicContact CG2-CG1 4.46Å; V160-L264 HydrophobicContact CG1-CD1 3.89Å; V160-L264 HydrophobicContact CG1-CD2 3.54Å; V160-L264 HydrophobicContact CG1-CG 3.42Å; V160-L264 VanDerWaalsContact CG1-CG 3.42Å |
| 161 | W | 87.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.9 | -34.6 | 179.5 | -61.2 | 100.5 | 0 | 0 | 0 | 113.5 | L158 S159 E163 A164 S165 F169 N236 L239 L241 L250 M251 L264 D268 I272 | L158-W161 PolarHBondContact O-N 2.87Å; S159-W161 PolarHBondContact O-N 2.83Å; W161-E163 VanDerWaalsContact C-N 3.28Å; W161-E163 PolarHBondContact O-N 2.96Å; W161-A164 PolarHBondContact O-N 3.48Å; W161-S165 WeakPolarHBondContact O-CB 3.34Å; W161-S165 PolarHBondContact O-N 3.22Å; W161-S165 VanDerWaalsContact O-N 3.09Å; W161-S165 PolarHBondContact O-OG 3.39Å; W161-F169 HydrophobicContact CB-CE2 4.22Å; W161-F169 HydrophobicContact CB-CZ 4.44Å; W161-N236 VanDerWaalsContact CD1-OD1 3.27Å; W161-N236 HydrophobicContact CH2-CB 4.48Å; W161-N236 HydrophobicContact CZ2-CB 3.98Å; W161-N236 VanDerWaalsContact CZ2-CG 3.42Å; W161-N236 WeakPolarHBondContact CZ2-ND2 3.48Å; W161-N236 PolarHBondContact NE1-ND2 2.99Å; W161-N236 PolarHBondContact NE1-OD1 3.09Å; W161-L239 HydrophobicContact CB-CD1 3.68Å; W161-L239 HydrophobicContact CD2-CD1 3.96Å; W161-L239 HydrophobicContact CE3-CD1 4.42Å; W161-L239 HydrophobicContact CG-CD1 3.59Å; W161-L241 HydrophobicContact CE3-CD1 4.16Å; W161-L241 HydrophobicContact CH2-CD1 3.59Å; W161-L241 HydrophobicContact CZ3-CD1 3.4Å; W161-L241 VanDerWaalsContact CZ3-CD1 3.4Å; W161-L250 HydrophobicContact CZ2-CD2 3.82Å; W161-L250 HydrophobicContact CZ2-CG 4.45Å; W161-M251 HydrophobicContact CH2-CG 4.29Å; W161-M251 HydrophobicContact CH2-SD 4.42Å; W161-M251 HydrophobicContact CZ2-SD 4.46Å; W161-L264 HydrophobicContact CD2-CD1 4.47Å; W161-L264 HydrophobicContact CD2-CD2 4.44Å; W161-L264 HydrophobicContact CE3-CD1 3.96Å; W161-L264 HydrophobicContact CE3-CD2 4.33Å; W161-L264 HydrophobicContact CH2-CD1 4.45Å; W161-L264 HydrophobicContact CH2-CD2 3.55Å; W161-L264 HydrophobicContact CZ2-CD2 3.58Å; W161-L264 HydrophobicContact CZ3-CD1 3.95Å; W161-L264 HydrophobicContact CZ3-CD2 3.91Å; W161-D268 HydrophobicContact CH2-CB 3.88Å; W161-D268 HydrophobicContact CZ3-CB 4.14Å; W161-I272 HydrophobicContact CE3-CB 3.87Å; W161-I272 HydrophobicContact CE3-CD1 3.96Å; W161-I272 HydrophobicContact CE3-CG1 3.8Å; W161-I272 HydrophobicContact CE3-CG2 4.06Å; W161-I272 HydrophobicContact CZ3-CB 3.88Å; W161-I272 HydrophobicContact CZ3-CD1 4.42Å; W161-I272 HydrophobicContact CZ3-CG1 4.3Å; W161-I272 HydrophobicContact CZ3-CG2 4.12Å |
| 162 | S | 89.6 | Confident | 87.3 | Confident | 38 Ų | 38 | 44 Ų | 44 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.4 | -26.6 | 174 | 72.9 | 0 | 0 | 0 | 0 | 113 | L158 S159 L167 | L158-S162 PolarHBondContact O-N 3.15Å; L158-S162 VanDerWaalsContact O-N 3.14Å; S159-S162 WeakPolarHBondContact CA-OG 3.46Å; S159-S162 PolarHBondContact O-N 3.42Å; S159-S162 VanDerWaalsContact O-N 3.09Å; S159-S162 PolarHBondContact O-OG 3.43Å; S162-L167 WeakPolarHBondContact CA-O 3.37Å; S162-L167 VanDerWaalsContact CB-O 3.23Å; S162-L167 WeakPolarHBondContact CB-O 3.46Å |
| 163 | E | 87.7 | Confident | 87.6 | Confident | 109 Ų | 109 | 41.9 Ų | 41.9 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -75.7 | -31 | 175.6 | -72.3 | -168.9 | 155.2 | 0 | 0 | 112.2 | S159 W161 R281 | S159-E163 WeakPolarHBondContact O-CG 3.06Å; S159-E163 PolarHBondContact O-N 2.77Å; W161-E163 VanDerWaalsContact C-N 3.28Å; W161-E163 PolarHBondContact O-N 2.96Å; E163-R281 IonicContact OE1-NH1 2.74Å; E163-R281 PolarHBondContact OE1-NH1 2.63Å; E163-R281 VanDerWaalsContact OE1-NH1 3.13Å |
| 164 | A | 85.2 | Confident | 88 | Confident | 8 Ų | 8 | 46 Ų | 46 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -91.4 | -13.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V160 W161 L264 I272 Q273 | V160-A164 PolarHBondContact O-N 2.8Å; W161-A164 PolarHBondContact O-N 3.48Å; A164-L264 HydrophobicContact CB-CD1 3.49Å; A164-L264 VanDerWaalsContact CB-CD1 3.49Å; A164-I272 HydrophobicContact CB-CG2 4.12Å; A164-Q273 WeakPolarHBondContact O-CG 2.89Å; A164-Q273 PolarHBondContact O-NE2 3.42Å |
| 165 | S | 90 | Very high | 88 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -139.5 | 177.3 | -173.7 | 73.3 | 0 | 0 | 0 | 0 | 113.2 | W161 L167 G277 G279 | W161-S165 WeakPolarHBondContact O-CB 3.34Å; W161-S165 PolarHBondContact O-N 3.22Å; W161-S165 VanDerWaalsContact O-N 3.09Å; W161-S165 PolarHBondContact O-OG 3.39Å; S165-L167 PolarHBondContact O-N 3.46Å; S165-L167 WeakPolarHBondContact OG-CB 3.39Å; S165-L167 PolarHBondContact OG-N 3.49Å; S165-G277 VanDerWaalsContact CA-O 3.25Å; S165-G277 WeakPolarHBondContact CA-O 3.36Å; S165-G279 VanDerWaalsContact C-CA 3.43Å; S165-G279 WeakPolarHBondContact O-CA 3.3Å |
| 166 | D | 92.4 | Very high | 88.1 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -83.7 | 14.2 | 175 | -158.2 | 25.7 | 0 | 0 | 0 | 113.2 | K78 Y276 G277 | K78-D166 WeakPolarHBondContact CB-O 3.34Å; K78-D166 HydrophobicContact CD-CB 3.99Å; K78-D166 VanDerWaalsContact CD-OD2 3.23Å; K78-D166 WeakPolarHBondContact CD-OD2 3.42Å; K78-D166 WeakPolarHBondContact CE-OD2 3.29Å; K78-D166 IonicContact NZ-OD2 3.22Å; K78-D166 PolarHBondContact NZ-OD2 3.04Å; D166-Y276 WeakPolarHBondContact CB-O 3.35Å; D166-G277 PolarHBondContact N-O 3.25Å |
| 167 | L | 92.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | trans | -78.3 | 144.6 | 176.3 | -69.3 | 177.5 | 0 | 0 | 0 | 111.7 | K78 L80 S162 S165 F169 L239 I272 Y276 | K78-L167 HydrophobicContact CB-CD2 4.45Å; K78-L167 CarbonylContact O-C 3.56Å; K78-L167 WeakPolarHBondContact O-CA 3.01Å; L80-L167 HydrophobicContact CD1-CD1 4.44Å; L80-L167 HydrophobicContact CD1-CD2 3.96Å; L80-L167 HydrophobicContact CG-CD2 4.4Å; S162-L167 WeakPolarHBondContact CA-O 3.37Å; S162-L167 VanDerWaalsContact CB-O 3.23Å; S162-L167 WeakPolarHBondContact CB-O 3.46Å; S165-L167 PolarHBondContact O-N 3.46Å; S165-L167 WeakPolarHBondContact OG-CB 3.39Å; S165-L167 PolarHBondContact OG-N 3.49Å; L167-F169 HydrophobicContact CB-CE2 4.09Å; L167-F169 HydrophobicContact CB-CZ 4.14Å; L167-F169 HydrophobicContact CD1-CZ 4.01Å; L167-L239 HydrophobicContact CD1-CD1 4.02Å; L167-L239 HydrophobicContact CD1-CD2 3.96Å; L167-L239 HydrophobicContact CD1-CG 4.44Å; L167-I272 HydrophobicContact CD1-CD1 4.19Å; L167-Y276 HydrophobicContact CD1-CD1 4.47Å; L167-Y276 HydrophobicContact CD1-CD2 3.55Å; L167-Y276 HydrophobicContact CD1-CE2 3.81Å; L167-Y276 HydrophobicContact CD1-CG 3.91Å; L167-Y276 HydrophobicContact CD2-CD1 3.52Å; L167-Y276 HydrophobicContact CD2-CD2 4.12Å; L167-Y276 HydrophobicContact CD2-CE1 3.93Å; L167-Y276 HydrophobicContact CD2-CE2 4.47Å; L167-Y276 HydrophobicContact CD2-CG 3.63Å; L167-Y276 HydrophobicContact CG-CD1 4.12Å; L167-Y276 HydrophobicContact CG-CD2 3.86Å; L167-Y276 HydrophobicContact CG-CE2 4.45Å; L167-Y276 HydrophobicContact CG-CG 3.66Å | ||
| 168 | T | 93.4 | Very high | 88.9 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148 | 167.5 | 70.5 | 0 | 0 | 0 | 0 | 110.3 | K78 N79 L80 | K78-T168 PolarHBondContact O-N 2.99Å; N79-T168 WeakPolarHBondContact CA-OG1 3.47Å; N79-T168 PolarHBondContact OD1-OG1 2.81Å; L80-T168 PolarHBondContact N-O 2.94Å |
| 169 | F | 92.4 | Very high | 89.1 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.4 | -177 | -60.2 | -82.4 | 0 | 0 | 0 | 110.7 | L80 Y82 L158 W161 L167 I179 L239 | L80-F169 HydrophobicContact CB-CD1 3.92Å; L80-F169 HydrophobicContact CB-CE1 4.09Å; L80-F169 HydrophobicContact CD1-CD1 4.37Å; L80-F169 HydrophobicContact CD1-CE1 3.68Å; L80-F169 HydrophobicContact CD1-CZ 4.35Å; L80-F169 HydrophobicContact CG-CE1 4.44Å; L80-F169 CarbonylContact O-C 3.39Å; L80-F169 VanDerWaalsContact O-CA 3.29Å; L80-F169 WeakPolarHBondContact O-CA 3.33Å; Y82-F169 HydrophobicContact CD1-CB 4.08Å; Y82-F169 HydrophobicContact CE1-CB 4.09Å; L158-F169 HydrophobicContact CB-CB 4.21Å; L158-F169 HydrophobicContact CB-CD1 4.39Å; L158-F169 HydrophobicContact CB-CD2 3.77Å; L158-F169 HydrophobicContact CB-CE2 4.21Å; L158-F169 HydrophobicContact CB-CG 3.87Å; L158-F169 HydrophobicContact CD1-CB 4.06Å; L158-F169 HydrophobicContact CD1-CD1 4.08Å; L158-F169 HydrophobicContact CD1-CG 4.07Å; L158-F169 HydrophobicContact CD2-CD1 3.9Å; L158-F169 HydrophobicContact CD2-CE1 3.81Å; L158-F169 HydrophobicContact CD2-CE2 4.43Å; L158-F169 HydrophobicContact CD2-CG 4.25Å; L158-F169 HydrophobicContact CD2-CZ 4.09Å; L158-F169 HydrophobicContact CG-CD1 4.36Å; L158-F169 HydrophobicContact CG-CG 4.29Å; L158-F169 WeakPolarHBondContact O-CD2 3.34Å; L158-F169 VanDerWaalsContact O-CE2 3.3Å; L158-F169 WeakPolarHBondContact O-CE2 3.28Å; W161-F169 HydrophobicContact CB-CE2 4.22Å; W161-F169 HydrophobicContact CB-CZ 4.44Å; L167-F169 HydrophobicContact CB-CE2 4.09Å; L167-F169 HydrophobicContact CB-CZ 4.14Å; L167-F169 HydrophobicContact CD1-CZ 4.01Å; F169-I179 HydrophobicContact CD1-CD1 4.34Å; F169-I179 HydrophobicContact CE1-CD1 4.08Å; F169-L239 HydrophobicContact CE1-CD2 3.84Å; F169-L239 HydrophobicContact CZ-CD1 4.11Å; F169-L239 HydrophobicContact CZ-CD2 3.79Å |
| 170 | T | 94.6 | Very high | 89.3 | Confident | 83 Ų | 83 | 49.8 Ų | 49.8 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 123.9 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | L80 T81 Y82 T172 | L80-T170 PolarHBondContact O-N 2.78Å; T81-T170 VanDerWaalsContact CA-O 3.26Å; T81-T170 WeakPolarHBondContact CA-O 3.32Å; Y82-T170 PolarHBondContact N-O 2.84Å; T170-T172 PolarHBondContact O-N 2.87Å |
| 171 | E | 92.5 | Very high | 89.4 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 29% | 0.29 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133 | 173.4 | -164.9 | -177.5 | 167.7 | 0 | 0 | 109.8 | Y82 R151 | Y82-E171 HydrophobicContact CD2-CG 4.28Å; Y82-E171 HydrophobicContact CE1-CB 3.98Å; Y82-E171 VanDerWaalsContact CE1-N 3.35Å; Y82-E171 HydrophobicContact CE2-CB 3.86Å; Y82-E171 HydrophobicContact CE2-CG 3.74Å; Y82-E171 CarbonylContact O-C 3.46Å; Y82-E171 WeakPolarHBondContact O-CA 3.43Å; R151-E171 IonicContact CZ-OE1 2.64Å; R151-E171 IonicContact NE-OE1 2.79Å; R151-E171 PolarHBondContact NE-OE1 3.39Å; R151-E171 IonicContact NE-OE2 2.7Å; R151-E171 PolarHBondContact NE-OE2 3.02Å; R151-E171 IonicContact NH2-OE1 3.05Å; R151-E171 PolarHBondContact NH2-OE1 3.01Å |
| 172 | T | 92.2 | Very high | 89.4 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | trans | -126.9 | 161.2 | 176.4 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | Y82 K83 T170 D174 A177 | Y82-T172 PolarHBondContact O-N 3.42Å; K83-T172 HydrophobicContact CB-CG2 4.37Å; T170-T172 PolarHBondContact O-N 2.87Å; T172-D174 HydrophobicContact CG2-CB 4.12Å; T172-D174 WeakPolarHBondContact OG1-CB 3.42Å; T172-D174 PolarHBondContact OG1-N 3.09Å; T172-D174 VanDerWaalsContact OG1-N 3.13Å; T172-A177 HydrophobicContact CG2-CB 3.49Å; T172-A177 VanDerWaalsContact CG2-CB 3.49Å | ||
| 173 | Q | 87.8 | Confident | 89.2 | Confident | 129 Ų | 129 | 48.2 Ų | 48.2 | 60% | 0.603 | 25% | 0.25 | S | S | * | . | trans | -98.5 | -0.2 | 169.3 | -62.1 | -57.6 | -58.8 | 0 | 0 | 112.3 | K83 | K83-Q173 WeakPolarHBondContact CE-O 3.32Å; K83-Q173 PolarHBondContact NZ-O 3.48Å | ||
| 174 | D | 86.6 | Confident | 89.1 | Confident | 91 Ų | 91 | 44.2 Ų | 44.2 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | trans | -71.5 | 132.3 | 177.4 | -161.4 | -26.5 | 0 | 0 | 0 | 111.5 | K83 T172 Q176 A177 | K83-D174 WeakPolarHBondContact CD-O 3.37Å; T172-D174 HydrophobicContact CG2-CB 4.12Å; T172-D174 WeakPolarHBondContact OG1-CB 3.42Å; T172-D174 PolarHBondContact OG1-N 3.09Å; T172-D174 VanDerWaalsContact OG1-N 3.13Å; D174-Q176 PolarHBondContact O-N 3.05Å; D174-Q176 PolarHBondContact OD1-N 3.01Å; D174-A177 PolarHBondContact O-N 3.36Å | ||
| 175 | D | 82.7 | Confident | 89.1 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.9 | 173.9 | -76.7 | -37.8 | 0 | 0 | 0 | 113 | K83 | K83-D175 IonicContact NZ-OD1 3.94Å; K83-D175 PolarHBondContact NZ-OD1 3.31Å; K83-D175 IonicContact NZ-OD2 3.61Å |
| 176 | Q | 84.9 | Confident | 88.9 | Confident | 163 Ų | 163 | 46.6 Ų | 46.6 | 76% | 0.762 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 29.5 | 173.8 | -58.6 | -62.8 | -80.4 | 0 | 0 | 112.4 | D174 | D174-Q176 PolarHBondContact O-N 3.05Å; D174-Q176 PolarHBondContact OD1-N 3.01Å |
| 177 | A | 90.1 | Very high | 88.5 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | trans | -59.8 | 152.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T81 K83 T172 D174 I179 L180 | T81-A177 WeakPolarHBondContact OG1-CA 3.36Å; K83-A177 HydrophobicContact CB-CB 3.89Å; T172-A177 HydrophobicContact CG2-CB 3.49Å; T172-A177 VanDerWaalsContact CG2-CB 3.49Å; D174-A177 PolarHBondContact O-N 3.36Å; A177-I179 PolarHBondContact O-N 3.19Å; A177-L180 HydrophobicContact CB-CD2 4.08Å | ||
| 178 | D | 90.2 | Very high | 87.8 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -64.1 | -32.1 | 177.4 | -56 | -75.8 | 0 | 0 | 0 | 112 | W75 Q77 L80 T81 | W75-D178 HydrophobicContact CH2-CB 3.81Å; W75-D178 WeakPolarHBondContact CH2-O 3.47Å; W75-D178 HydrophobicContact CZ2-CB 4.03Å; W75-D178 WeakPolarHBondContact CZ2-O 3.35Å; W75-D178 HydrophobicContact CZ3-CB 4.09Å; Q77-D178 PolarHBondContact NE2-OD1 2.64Å; L80-D178 HydrophobicContact CD2-CB 4.31Å; T81-D178 PolarHBondContact N-OD2 3.33Å; T81-D178 WeakPolarHBondContact O-CB 3.42Å; T81-D178 PolarHBondContact O-N 3.08Å; T81-D178 VanDerWaalsContact O-N 3.1Å; T81-D178 PolarHBondContact OG1-N 2.73Å; T81-D178 PolarHBondContact OG1-OD2 2.81Å |
| 179 | I | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 108.1 | -178.7 | -63.3 | 157.4 | 0 | 0 | 0 | 108.6 | W75 L80 T81 Y82 K83 F169 A177 I181 G213 I215 N238 | W75-I179 HydrophobicContact CZ2-CG1 4.31Å; L80-I179 HydrophobicContact CB-CD1 4.41Å; L80-I179 HydrophobicContact CD1-CD1 4.34Å; T81-I179 PolarHBondContact O-N 3.36Å; Y82-I179 CarbonylContact C-O 3.57Å; Y82-I179 WeakPolarHBondContact CA-O 3.18Å; K83-I179 PolarHBondContact N-O 2.7Å; F169-I179 HydrophobicContact CD1-CD1 4.34Å; F169-I179 HydrophobicContact CE1-CD1 4.08Å; A177-I179 PolarHBondContact O-N 3.19Å; I179-I181 HydrophobicContact CG2-CD1 4.48Å; I179-I181 HydrophobicContact CG2-CG1 3.96Å; I179-G213 WeakPolarHBondContact CG2-O 3.4Å; I179-I215 HydrophobicContact CG2-CD1 3.96Å; I179-I215 HydrophobicContact CG2-CG1 4.04Å; I179-N238 VanDerWaalsContact CD1-ND2 3.27Å; I179-N238 WeakPolarHBondContact CD1-ND2 3.14Å |
| 180 | L | 89 | Confident | 86.1 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130.8 | 166.8 | -56.9 | 176.4 | 0 | 0 | 0 | 109.7 | K83 A177 D214 I215 | K83-L180 HydrophobicContact CB-CD2 4.09Å; A177-L180 HydrophobicContact CB-CD2 4.08Å; L180-D214 HydrophobicContact CB-CB 4.48Å; L180-D214 VanDerWaalsContact CB-OD1 3.25Å; L180-D214 WeakPolarHBondContact CB-OD1 3.18Å; L180-D214 PolarHBondContact N-OD1 3.27Å; L180-D214 CarbonylContact O-C 3.49Å; L180-D214 VanDerWaalsContact O-CA 3.32Å; L180-D214 WeakPolarHBondContact O-CA 3.48Å; L180-I215 PolarHBondContact O-N 3.1Å |
| 181 | I | 87.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.9 | 177 | -57.8 | 175.7 | 0 | 0 | 0 | 108.2 | Y82 K83 L84 R85 V154 I179 I215 F217 | Y82-I181 HydrophobicContact CD2-CD1 4.21Å; K83-I181 PolarHBondContact O-N 3.28Å; L84-I181 HydrophobicContact CD2-CB 3.9Å; L84-I181 HydrophobicContact CD2-CG2 3.68Å; R85-I181 PolarHBondContact N-O 3.44Å; V154-I181 HydrophobicContact CB-CD1 4.35Å; V154-I181 HydrophobicContact CG1-CD1 3.4Å; V154-I181 HydrophobicContact CG2-CD1 3.94Å; I179-I181 HydrophobicContact CG2-CD1 4.48Å; I179-I181 HydrophobicContact CG2-CG1 3.96Å; I181-I215 WeakPolarHBondContact CA-O 3.33Å; I181-I215 HydrophobicContact CD1-CD1 4.47Å; I181-I215 HydrophobicContact CG1-CB 4.32Å; I181-I215 HydrophobicContact CG1-CD1 4.25Å; I181-F217 HydrophobicContact CG2-CD2 3.87Å; I181-F217 HydrophobicContact CG2-CE2 3.59Å |
| 182 | E | 86.2 | Confident | 84.2 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.4 | -175.7 | -64 | -165.8 | 75.7 | 0 | 0 | 111.1 | R85 N86 L184 I215 H216 F217 | R85-E182 HydrophobicContact CB-CG 3.85Å; R85-E182 HydrophobicContact CG-CG 4.28Å; R85-E182 IonicContact NH1-OE2 3.96Å; R85-E182 PolarHBondContact NH1-OE2 3.27Å; N86-E182 PolarHBondContact ND2-OE1 2.87Å; E182-L184 HydrophobicContact CB-CD1 4.1Å; E182-L184 HydrophobicContact CB-CD2 4.24Å; E182-L184 HydrophobicContact CB-CG 4.01Å; E182-I215 PolarHBondContact N-O 2.67Å; E182-H216 CarbonylContact O-C 3.37Å; E182-H216 WeakPolarHBondContact O-CA 3.46Å; E182-F217 PolarHBondContact O-N 3.28Å |
| 183 | F | 85.7 | Confident | 83.6 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.6 | 168.9 | -66.9 | -105 | 0 | 0 | 0 | 107.6 | Y87 T142 T150 F217 N219 W223 F228 | Y87-F183 AromaticContact CE2-CD2 3.73Å; Y87-F183 HydrophobicContact CE2-CD2 3.73Å; Y87-F183 AromaticContact CE2-CE2 3.53Å; Y87-F183 HydrophobicContact CE2-CE2 3.53Å; Y87-F183 HydrophobicContact CE2-CZ 4.47Å; T142-F183 HydrophobicContact CG2-CB 3.69Å; T142-F183 HydrophobicContact CG2-CD1 3.14Å; T142-F183 HydrophobicContact CG2-CD2 3.59Å; T142-F183 HydrophobicContact CG2-CE1 3.44Å; T142-F183 VanDerWaalsContact CG2-CE1 3.44Å; T142-F183 HydrophobicContact CG2-CE2 3.89Å; T142-F183 HydrophobicContact CG2-CG 3.19Å; T142-F183 HydrophobicContact CG2-CZ 3.76Å; T150-F183 HydrophobicContact CG2-CE2 4.04Å; T150-F183 HydrophobicContact CG2-CZ 4.03Å; F183-F217 WeakPolarHBondContact CA-O 3.3Å; F183-F217 HydrophobicContact CD1-CB 3.36Å; F183-F217 HydrophobicContact CD1-CG 4.21Å; F183-F217 HydrophobicContact CE1-CB 3.57Å; F183-F217 HydrophobicContact CE1-CD2 4.27Å; F183-F217 AromaticContact CE1-CG 3.94Å; F183-F217 HydrophobicContact CE1-CG 3.94Å; F183-F217 HydrophobicContact CE2-CD2 4.36Å; F183-F217 HydrophobicContact CG-CB 3.98Å; F183-F217 HydrophobicContact CZ-CB 4.32Å; F183-F217 HydrophobicContact CZ-CD2 4.19Å; F183-F217 HydrophobicContact CZ-CG 4.31Å; F183-N219 HydrophobicContact CB-CB 4.09Å; F183-N219 WeakPolarHBondContact CB-OD1 3.45Å; F183-W223 AromaticContact CD1-NE1 3.88Å; F183-W223 AromaticContact CE1-CD1 3.98Å; F183-W223 HydrophobicContact CE1-CD2 4.27Å; F183-W223 HydrophobicContact CE1-CG 4.23Å; F183-W223 AromaticContact CE1-NE1 3.86Å; F183-F228 HydrophobicContact CE1-CD2 4.46Å; F183-F228 AromaticContact CE1-CE2 3.66Å; F183-F228 HydrophobicContact CE1-CE2 3.66Å; F183-F228 HydrophobicContact CE1-CZ 4.49Å; F183-F228 HydrophobicContact CE2-CE2 4.49Å; F183-F228 HydrophobicContact CZ-CD2 4.36Å; F183-F228 AromaticContact CZ-CE2 3.31Å; F183-F228 HydrophobicContact CZ-CE2 3.31Å; F183-F228 AromaticContact CZ-CZ 3.75Å; F183-F228 HydrophobicContact CZ-CZ 3.75Å |
| 184 | L | 85.3 | Confident | 83.5 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156 | -170.3 | -55 | 169.8 | 0 | 0 | 0 | 108.5 | E182 H188 F194 H216 F217 N219 | E182-L184 HydrophobicContact CB-CD1 4.1Å; E182-L184 HydrophobicContact CB-CD2 4.24Å; E182-L184 HydrophobicContact CB-CG 4.01Å; L184-H188 HydrophobicContact CB-CB 3.81Å; L184-H188 HydrophobicContact CD1-CB 3.89Å; L184-H188 WeakPolarHBondContact CD1-CD2 2.94Å; L184-H188 HydrophobicContact CG-CB 4.32Å; L184-F194 HydrophobicContact CB-CE2 4.19Å; L184-F194 WeakPolarHBondContact O-CD2 3.09Å; L184-F194 WeakPolarHBondContact O-CE2 3.36Å; L184-H216 HydrophobicContact CD1-CB 4.24Å; L184-F217 PolarHBondContact N-O 2.71Å; L184-N219 VanDerWaalsContact O-CB 3.29Å; L184-N219 WeakPolarHBondContact O-CB 2.94Å; L184-N219 PolarHBondContact O-N 2.87Å |
| 185 | S | 86.9 | Confident | 83.5 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | trans | -118.1 | 148.5 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | N219 D220 | S185-N219 WeakPolarHBondContact OG-CB 2.92Å; S185-D220 WeakPolarHBondContact CB-OD1 3.49Å; S185-D220 PolarHBondContact OG-OD1 3.11Å | ||
| 186 | G | 85 | Confident | 83.8 | Confident | 23 Ų | 23 | 39 Ų | 39 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 52.4 | -141.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H188 P193 F194 | G186-H188 PolarHBondContact O-N 2.67Å; G186-H188 PolarHBondContact O-ND1 3.28Å; G186-P193 WeakPolarHBondContact O-CA 3.27Å; G186-F194 PolarHBondContact O-N 3.46Å |
| 187 | D | 83.6 | Confident | 83.7 | Confident | 127 Ų | 127 | 36.2 Ų | 36.2 | 68% | 0.679 | 23% | 0.23 | S | C | * | . | trans | -73.3 | 112.7 | 172.1 | -176.9 | 8 | 0 | 0 | 0 | 111 | G189 P193 | D187-G189 PolarHBondContact OD1-N 3.13Å; D187-P193 HydrophobicContact CB-CB 4.08Å | ||
| 188 | H | 79 | Confident | 83.5 | Confident | 41 Ų | 41 | 40 Ų | 40 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | trans | -114.8 | 21.5 | -179.5 | 50.1 | -84.3 | 0 | 0 | 0 | 112.9 | L184 G186 D190 Y192 F194 H203 H216 | L184-H188 HydrophobicContact CB-CB 3.81Å; L184-H188 HydrophobicContact CD1-CB 3.89Å; L184-H188 WeakPolarHBondContact CD1-CD2 2.94Å; L184-H188 HydrophobicContact CG-CB 4.32Å; G186-H188 PolarHBondContact O-N 2.67Å; G186-H188 PolarHBondContact O-ND1 3.28Å; H188-D190 IonicContact CD2-OD1 2.95Å; H188-D190 IonicContact CD2-OD2 2.8Å; H188-D190 PolarHBondContact CD2-OD2 2.95Å; H188-D190 VanDerWaalsContact CD2-OD2 3.29Å; H188-D190 IonicContact NE2-OD1 3.89Å; H188-D190 PolarHBondContact NE2-OD1 3.26Å; H188-D190 IonicContact NE2-OD2 3.69Å; H188-D190 PolarHBondContact NE2-OD2 3.25Å; H188-Y192 PolarHBondContact CE1-O 2.86Å; H188-F194 AromaticContact CE1-CD2 3.36Å; H188-F194 WeakPolarHBondContact CE1-CD2 3.42Å; H188-F194 AromaticContact CE1-CE2 3.32Å; H188-F194 WeakPolarHBondContact CE1-CE2 3.37Å; H188-F194 AromaticContact CE1-CG 3.94Å; H188-F194 AromaticContact CE1-CZ 3.85Å; H188-F194 AromaticContact ND1-CD2 3.65Å; H188-F194 AromaticContact ND1-CE2 3.89Å; H188-F194 AromaticContact NE2-CE2 3.88Å; H188-H203 AromaticContact CE1-CE1 3.47Å; H188-H203 PolarHBondContact CE1-CE1 3.14Å; H188-H203 VanDerWaalsContact CE1-CE1 3.47Å; H188-H203 AromaticContact CE1-NE2 3.97Å; H188-H203 AromaticContact NE2-CE1 3.2Å; H188-H203 PolarHBondContact NE2-CE1 3Å; H188-H203 AromaticContact NE2-NE2 3.24Å; H188-H203 PolarHBondContact NE2-NE2 2.84Å; H188-H216 AromaticContact CD2-CE1 3.96Å; H188-H216 AromaticContact CD2-ND1 3.38Å; H188-H216 PolarHBondContact CD2-ND1 3.47Å; H188-H216 AromaticContact NE2-CG 3.98Å; H188-H216 AromaticContact NE2-ND1 3.27Å; H188-H216 PolarHBondContact NE2-ND1 3.04Å | ||
| 189 | G | 73.7 | Confident | 83.4 | Confident | 49 Ų | 49 | 39 Ų | 39 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 82.2 | 14.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D187 R211 | D187-G189 PolarHBondContact OD1-N 3.13Å; G189-R211 PolarHBondContact O-NH2 2.93Å |
| 190 | D | 74.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -107.9 | -5.4 | 178.6 | 72 | -0.1 | 0 | 0 | 0 | 115 | H188 Y192 H203 F205 H216 | H188-D190 IonicContact CD2-OD1 2.95Å; H188-D190 IonicContact CD2-OD2 2.8Å; H188-D190 PolarHBondContact CD2-OD2 2.95Å; H188-D190 VanDerWaalsContact CD2-OD2 3.29Å; H188-D190 IonicContact NE2-OD1 3.89Å; H188-D190 PolarHBondContact NE2-OD1 3.26Å; H188-D190 IonicContact NE2-OD2 3.69Å; H188-D190 PolarHBondContact NE2-OD2 3.25Å; D190-Y192 PolarHBondContact OD1-N 2.84Å; D190-H203 IonicContact OD2-CD2 2.92Å; D190-H203 IonicContact OD2-CE1 2.94Å; D190-H203 IonicContact OD2-NE2 3.75Å; D190-H203 PolarHBondContact OD2-NE2 2.71Å; D190-F205 HydrophobicContact CB-CE2 4.16Å; D190-F205 HydrophobicContact CB-CZ 3.7Å; D190-F205 WeakPolarHBondContact OD2-CE2 3.18Å; D190-F205 VanDerWaalsContact OD2-CZ 3.3Å; D190-F205 WeakPolarHBondContact OD2-CZ 3.3Å; D190-H216 IonicContact OD2-CE1 3.9Å; D190-H216 PolarHBondContact OD2-CE1 3Å; D190-H216 VanDerWaalsContact OD2-CE1 3.25Å; D190-H216 IonicContact OD2-ND1 3.74Å; D190-H216 PolarHBondContact OD2-ND1 3.43Å |
| 191 | G | 74.1 | Confident | 83.1 | Confident | 47 Ų | 47 | 39 Ų | 39 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 88.7 | 4.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 192 | Y | 73.5 | Confident | 83.1 | Confident | 69 Ų | 69 | 39 Ų | 39 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | trans | -126.5 | 76 | 175.3 | -63.6 | -83 | 0 | 0 | 0 | 109.6 | P58 H188 D190 H203 F205 | P58-Y192 HydrophobicContact CG-CE1 4.29Å; H188-Y192 PolarHBondContact CE1-O 2.86Å; D190-Y192 PolarHBondContact OD1-N 2.84Å; Y192-H203 PolarHBondContact O-CE1 2.55Å; Y192-F205 AromaticContact CD2-CE1 3.88Å; Y192-F205 HydrophobicContact CD2-CE1 3.88Å; Y192-F205 HydrophobicContact CD2-CZ 4.02Å; Y192-F205 AromaticContact CE2-CE1 3.86Å; Y192-F205 HydrophobicContact CE2-CE1 3.86Å; Y192-F205 HydrophobicContact CE2-CZ 4.45Å | ||
| 193 | P | 80.2 | Confident | 83 | Confident | 58 Ų | 58 | 38.1 Ų | 38.1 | 38% | 0.377 | 24% | 0.24 | S | C | . | . | trans | -66.4 | 144.3 | -177.7 | 30 | -35.6 | 0 | 0 | 0 | 111.5 | G186 D187 | G186-P193 WeakPolarHBondContact O-CA 3.27Å; D187-P193 HydrophobicContact CB-CB 4.08Å | ||
| 194 | F | 85.6 | Confident | 82.8 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 6% | 0.057 | 24% | 0.239 | C | C | . | . | trans | -75.4 | 155.7 | 168.7 | -68.8 | -49.3 | 0 | 0 | 0 | 112.1 | L184 G186 H188 I200 H203 H216 F217 D218 | L184-F194 HydrophobicContact CB-CE2 4.19Å; L184-F194 WeakPolarHBondContact O-CD2 3.09Å; L184-F194 WeakPolarHBondContact O-CE2 3.36Å; G186-F194 PolarHBondContact O-N 3.46Å; H188-F194 AromaticContact CE1-CD2 3.36Å; H188-F194 WeakPolarHBondContact CE1-CD2 3.42Å; H188-F194 AromaticContact CE1-CE2 3.32Å; H188-F194 WeakPolarHBondContact CE1-CE2 3.37Å; H188-F194 AromaticContact CE1-CG 3.94Å; H188-F194 AromaticContact CE1-CZ 3.85Å; H188-F194 AromaticContact ND1-CD2 3.65Å; H188-F194 AromaticContact ND1-CE2 3.89Å; H188-F194 AromaticContact NE2-CE2 3.88Å; F194-I200 HydrophobicContact CD1-CB 4.42Å; F194-I200 HydrophobicContact CD1-CG2 3.65Å; F194-I200 HydrophobicContact CE1-CG2 3.95Å; F194-H203 AromaticContact CE1-CE1 3.62Å; F194-H203 AromaticContact CE1-ND1 3.4Å; F194-H203 WeakPolarHBondContact CE1-ND1 3.24Å; F194-H203 AromaticContact CZ-CE1 3.61Å; F194-H203 AromaticContact CZ-ND1 3.76Å; F194-H216 HydrophobicContact CE2-CB 4.18Å; F194-H216 HydrophobicContact CZ-CB 3.83Å; F194-H216 WeakPolarHBondContact CZ-O 3.41Å; F194-F217 WeakPolarHBondContact CE2-O 3.49Å; F194-D218 HydrophobicContact CB-CB 4.19Å; F194-D218 WeakPolarHBondContact CB-OD2 3.44Å; F194-D218 HydrophobicContact CD1-CB 3.72Å; F194-D218 HydrophobicContact CD2-CB 3.95Å; F194-D218 HydrophobicContact CE1-CB 4.07Å; F194-D218 HydrophobicContact CE2-CB 4.25Å; F194-D218 HydrophobicContact CG-CB 3.68Å; F194-D218 HydrophobicContact CZ-CB 4.32Å | ||
| 195 | D | 86.5 | Confident | 82.3 | Confident | 53 Ų | 53 | 38.3 Ų | 38.3 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | trans | -104.8 | 12.6 | -173.7 | 69.4 | -24.3 | 0 | 0 | 0 | 114 | N198 V199 I200 | D195-N198 HydrophobicContact CB-CB 4.43Å; D195-N198 VanDerWaalsContact OD2-CB 3.3Å; D195-N198 WeakPolarHBondContact OD2-CB 3.41Å; D195-N198 VanDerWaalsContact OD2-CG 3.31Å; D195-N198 PolarHBondContact OD2-ND2 2.65Å; D195-N198 VanDerWaalsContact OD2-ND2 3.09Å; D195-V199 PolarHBondContact OD1-N 2.94Å; D195-V199 PolarHBondContact OD2-N 2.92Å; D195-I200 HydrophobicContact CB-CD1 4.33Å; D195-I200 WeakPolarHBondContact OD1-CA 3.29Å; D195-I200 VanDerWaalsContact OD1-CB 3.28Å; D195-I200 WeakPolarHBondContact OD1-CB 3.22Å; D195-I200 PolarHBondContact OD1-N 2.85Å; D195-I200 PolarHBondContact OD2-N 3.15Å | ||
| 196 | G | 87.8 | Confident | 81.9 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 78.5 | -156.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N198 | G196-N198 PolarHBondContact O-N 2.67Š|
| 197 | P | 84.8 | Confident | 81.7 | Confident | 105 Ų | 105 | 39.2 Ų | 39.2 | 68% | 0.682 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -73.5 | 71.8 | -179.4 | 32 | -36 | 0 | 0 | 0 | 111.3 | ||
| 198 | N | 84.8 | Confident | 81.3 | Confident | 90 Ų | 90 | 34.9 Ų | 34.9 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -142.9 | -122 | -166.5 | -166.4 | 16.3 | 0 | 0 | 0 | 111.4 | K53 D195 G196 E221 | K53-N198 WeakPolarHBondContact CE-O 3.25Å; D195-N198 HydrophobicContact CB-CB 4.43Å; D195-N198 VanDerWaalsContact OD2-CB 3.3Å; D195-N198 WeakPolarHBondContact OD2-CB 3.41Å; D195-N198 VanDerWaalsContact OD2-CG 3.31Å; D195-N198 PolarHBondContact OD2-ND2 2.65Å; D195-N198 VanDerWaalsContact OD2-ND2 3.09Å; G196-N198 PolarHBondContact O-N 2.67Å; N198-E221 PolarHBondContact N-OE1 2.84Å |
| 199 | V | 87.4 | Confident | 81.1 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 10% | 0.097 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -96.8 | -33 | -167.7 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | K53 R54 D195 | K53-V199 CarbonylContact C-O 3.59Å; K53-V199 VanDerWaalsContact CA-O 3.31Å; K53-V199 WeakPolarHBondContact CA-O 3.15Å; R54-V199 HydrophobicContact CG-CG1 3.49Å; R54-V199 VanDerWaalsContact CG-CG1 3.49Å; R54-V199 PolarHBondContact N-O 2.93Å; D195-V199 PolarHBondContact OD1-N 2.94Å; D195-V199 PolarHBondContact OD2-N 2.92Å |
| 200 | I | 87 | Confident | 81.3 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.4 | -174.5 | -57.5 | 173.9 | 0 | 0 | 0 | 110 | E3 F4 G56 F194 D195 | E3-I200 HydrophobicContact CG-CD1 4.46Å; E3-I200 WeakPolarHBondContact OE1-CD1 3.31Å; F4-I200 HydrophobicContact CZ-CG1 4.36Å; G56-I200 VanDerWaalsContact CA-CG2 3.45Å; F194-I200 HydrophobicContact CD1-CB 4.42Å; F194-I200 HydrophobicContact CD1-CG2 3.65Å; F194-I200 HydrophobicContact CE1-CG2 3.95Å; D195-I200 HydrophobicContact CB-CD1 4.33Å; D195-I200 WeakPolarHBondContact OD1-CA 3.29Å; D195-I200 VanDerWaalsContact OD1-CB 3.28Å; D195-I200 WeakPolarHBondContact OD1-CB 3.22Å; D195-I200 PolarHBondContact OD1-N 2.85Å; D195-I200 PolarHBondContact OD2-N 3.15Å |
| 201 | L | 86.3 | Confident | 81.1 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -38 | -179.1 | -72 | 167.1 | 0 | 0 | 0 | 113.2 | K53 R54 D218 E221 W223 Q231 Y255 | K53-L201 HydrophobicContact CB-CD1 3.62Å; K53-L201 HydrophobicContact CB-CD2 4.31Å; K53-L201 HydrophobicContact CB-CG 3.92Å; K53-L201 HydrophobicContact CD-CD1 4.38Å; K53-L201 HydrophobicContact CD-CD2 3.63Å; K53-L201 HydrophobicContact CD-CG 4.18Å; R54-L201 PolarHBondContact O-N 2.81Å; L201-D218 WeakPolarHBondContact O-CB 3.17Å; L201-D218 PolarHBondContact O-N 3.3Å; L201-E221 HydrophobicContact CD2-CG 4.07Å; L201-W223 HydrophobicContact CB-CH2 4.43Å; L201-W223 WeakPolarHBondContact O-CZ2 3.5Å; L201-Q231 HydrophobicContact CD1-CG 4.13Å; L201-Y255 HydrophobicContact CD1-CD2 4.32Å; L201-Y255 HydrophobicContact CD1-CG 4.21Å |
| 202 | A | 87.2 | Confident | 81.2 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 166.2 | -170 | 0 | 0 | 0 | 0 | 0 | 111 | C55 G56 H216 F217 L235 | C55-A202 WeakPolarHBondContact CA-O 3.1Å; G56-A202 PolarHBondContact N-O 2.82Å; A202-H216 CarbonylContact C-O 3.56Å; A202-H216 WeakPolarHBondContact CA-O 3.25Å; A202-H216 WeakPolarHBondContact CB-O 3.1Å; A202-F217 HydrophobicContact CB-CD1 3.74Å; A202-F217 HydrophobicContact CB-CE1 4.23Å; A202-F217 HydrophobicContact CB-CG 4.34Å; A202-L235 HydrophobicContact CB-CD1 3.29Å; A202-L235 HydrophobicContact CB-CD2 3.56Å; A202-L235 HydrophobicContact CB-CG 4.01Å |
| 203 | H | 82.7 | Confident | 81.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160.9 | 165.8 | 53 | -101.5 | 0 | 0 | 0 | 111.4 | L57 H188 D190 Y192 F194 H216 | L57-H203 HydrophobicContact CD2-CB 3.97Å; L57-H203 HydrophobicContact CG-CB 3.93Å; H188-H203 AromaticContact CE1-CE1 3.47Å; H188-H203 PolarHBondContact CE1-CE1 3.14Å; H188-H203 VanDerWaalsContact CE1-CE1 3.47Å; H188-H203 AromaticContact CE1-NE2 3.97Å; H188-H203 AromaticContact NE2-CE1 3.2Å; H188-H203 PolarHBondContact NE2-CE1 3Å; H188-H203 AromaticContact NE2-NE2 3.24Å; H188-H203 PolarHBondContact NE2-NE2 2.84Å; D190-H203 IonicContact OD2-CD2 2.92Å; D190-H203 IonicContact OD2-CE1 2.94Å; D190-H203 IonicContact OD2-NE2 3.75Å; D190-H203 PolarHBondContact OD2-NE2 2.71Å; Y192-H203 PolarHBondContact O-CE1 2.55Å; F194-H203 AromaticContact CE1-CE1 3.62Å; F194-H203 AromaticContact CE1-ND1 3.4Å; F194-H203 WeakPolarHBondContact CE1-ND1 3.24Å; F194-H203 AromaticContact CZ-CE1 3.61Å; F194-H203 AromaticContact CZ-ND1 3.76Å; H203-H216 PolarHBondContact N-O 2.94Å; H203-H216 AromaticContact NE2-CG 3.9Å; H203-H216 AromaticContact NE2-ND1 3.38Å; H203-H216 PolarHBondContact NE2-ND1 3.49Å; H203-H216 PolarHBondContact O-N 3.25Å |
| 204 | A | 82.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L57 D214 I215 L235 N238 | L57-A204 VanDerWaalsContact CD1-O 3.27Å; L57-A204 WeakPolarHBondContact CD1-O 3.37Å; A204-D214 CarbonylContact C-O 3.54Å; A204-D214 VanDerWaalsContact CA-O 3.28Å; A204-D214 WeakPolarHBondContact CA-O 3.43Å; A204-I215 HydrophobicContact CB-CB 4.49Å; A204-I215 HydrophobicContact CB-CG1 4.02Å; A204-I215 HydrophobicContact CB-CG2 4.46Å; A204-L235 HydrophobicContact CB-CB 4.27Å; A204-L235 WeakPolarHBondContact CB-O 3.22Å; A204-N238 HydrophobicContact CB-CB 4.29Å |
| 205 | F | 75.7 | Confident | 81.4 | Confident | 34 Ų | 34 | 37 Ų | 37 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 142.6 | 177.3 | -68.3 | -75.3 | 0 | 0 | 0 | 111.3 | D190 Y192 R211 G213 D214 H216 N238 | D190-F205 HydrophobicContact CB-CE2 4.16Å; D190-F205 HydrophobicContact CB-CZ 3.7Å; D190-F205 WeakPolarHBondContact OD2-CE2 3.18Å; D190-F205 VanDerWaalsContact OD2-CZ 3.3Å; D190-F205 WeakPolarHBondContact OD2-CZ 3.3Å; Y192-F205 AromaticContact CD2-CE1 3.88Å; Y192-F205 HydrophobicContact CD2-CE1 3.88Å; Y192-F205 HydrophobicContact CD2-CZ 4.02Å; Y192-F205 AromaticContact CE2-CE1 3.86Å; Y192-F205 HydrophobicContact CE2-CE1 3.86Å; Y192-F205 HydrophobicContact CE2-CZ 4.45Å; F205-R211 VanDerWaalsContact CB-O 3.26Å; F205-R211 WeakPolarHBondContact CB-O 2.96Å; F205-R211 HydrophobicContact CD2-CB 4.3Å; F205-G213 WeakPolarHBondContact O-CA 3.23Å; F205-G213 PolarHBondContact O-N 3.17Å; F205-G213 VanDerWaalsContact O-N 3.07Å; F205-D214 HydrophobicContact CD2-CB 4.3Å; F205-D214 PolarHBondContact N-O 2.95Å; F205-H216 AromaticContact CE2-CE1 3.78Å; F205-H216 AromaticContact CE2-ND1 3.98Å; F205-N238 WeakPolarHBondContact O-CA 3.43Å; F205-N238 PolarHBondContact O-N 3.28Å |
| 206 | F | 77.6 | Confident | 81.3 | Confident | 76 Ų | 76 | 34.9 Ų | 34.9 | 33% | 0.333 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 153.1 | 172.1 | -63.6 | -63.8 | 0 | 0 | 0 | 112.7 | S73 G208 G212 G213 G237 L241 | S73-F206 VanDerWaalsContact OG-CB 3.25Å; S73-F206 WeakPolarHBondContact OG-CB 3.3Å; F206-G208 PolarHBondContact O-N 2.89Å; F206-G212 CarbonylContact O-C 3.46Å; F206-G212 WeakPolarHBondContact O-CA 3.08Å; F206-G213 PolarHBondContact O-N 3.07Å; F206-G213 VanDerWaalsContact O-N 3.12Å; F206-G237 VanDerWaalsContact CA-O 3.3Å; F206-G237 WeakPolarHBondContact CA-O 3.32Å; F206-G237 WeakPolarHBondContact CD1-O 3.35Å; F206-L241 WeakPolarHBondContact CE1-O 3.47Å |
| 207 | P | 81.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -46 | 134.4 | 178.9 | -31.9 | 34.2 | 0 | 0 | 0 | 114 | S73 W75 N238 | S73-P207 WeakPolarHBondContact CB-O 3.21Å; S73-P207 VanDerWaalsContact O-CD 3.24Å; S73-P207 WeakPolarHBondContact O-CD 3.26Å; S73-P207 WeakPolarHBondContact O-CG 3.49Å; S73-P207 PolarHBondContact OG-O 3.06Å; W75-P207 HydrophobicContact CD2-CB 3.71Å; W75-P207 HydrophobicContact CD2-CG 4.29Å; W75-P207 HydrophobicContact CE3-CB 4.25Å; W75-P207 HydrophobicContact CG-CB 3.9Å; W75-P207 HydrophobicContact CG-CG 4.11Å; W75-P207 HydrophobicContact CZ2-CB 4.18Å; P207-N238 VanDerWaalsContact CG-O 3.32Å; P207-N238 WeakPolarHBondContact CG-O 3.46Å |
| 208 | G | 75.5 | Confident | 81.3 | Confident | 36 Ų | 36 | 29.5 Ų | 29.5 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | trans | 172 | -177.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F206 G212 | F206-G208 PolarHBondContact O-N 2.89Å; G208-G212 VanDerWaalsContact O-O 3.07Å | ||
| 209 | A | 74 | Confident | 81.4 | Confident | 103 Ų | 103 | 25.7 Ų | 25.7 | 85% | 0.851 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -75.9 | 155 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R211 G212 | A209-R211 PolarHBondContact O-N 3.2Å; A209-G212 PolarHBondContact O-N 3.19Å |
| 210 | G | 77.8 | Confident | 81.3 | Confident | 77 Ų | 77 | 28.2 Ų | 28.2 | 79% | 0.794 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -115.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G212 | G210-G212 VanDerWaalsContact C-N 3.26Å; G210-G212 PolarHBondContact O-N 3.24Å |
| 211 | R | 69.6 | Low | 81.2 | Confident | 129 Ų | 129 | 28.6 Ų | 28.6 | 49% | 0.487 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.1 | 178.8 | -54.7 | -174.6 | -159.8 | 136 | -9.3 | 114.1 | G189 F205 A209 G213 D214 | G189-R211 PolarHBondContact O-NH2 2.93Å; F205-R211 VanDerWaalsContact CB-O 3.26Å; F205-R211 WeakPolarHBondContact CB-O 2.96Å; F205-R211 HydrophobicContact CD2-CB 4.3Å; A209-R211 PolarHBondContact O-N 3.2Å; R211-G213 PolarHBondContact O-N 3.47Å; R211-D214 VanDerWaalsContact CA-OD2 3.3Å; R211-D214 WeakPolarHBondContact CA-OD2 3.18Å; R211-D214 WeakPolarHBondContact O-CB 3.3Å; R211-D214 PolarHBondContact O-N 2.86Å |
| 212 | G | 76.1 | Confident | 80.8 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 119.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110 | W75 F206 G208 A209 G210 | W75-G212 VanDerWaalsContact CH2-O 3.23Å; W75-G212 WeakPolarHBondContact CH2-O 3.43Å; F206-G212 CarbonylContact O-C 3.46Å; F206-G212 WeakPolarHBondContact O-CA 3.08Å; G208-G212 VanDerWaalsContact O-O 3.07Å; A209-G212 PolarHBondContact O-N 3.19Å; G210-G212 VanDerWaalsContact C-N 3.26Å; G210-G212 PolarHBondContact O-N 3.24Å |
| 213 | G | 74.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.5 | -19.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | I179 F205 F206 R211 N238 | I179-G213 WeakPolarHBondContact CG2-O 3.4Å; F205-G213 WeakPolarHBondContact O-CA 3.23Å; F205-G213 PolarHBondContact O-N 3.17Å; F205-G213 VanDerWaalsContact O-N 3.07Å; F206-G213 PolarHBondContact O-N 3.07Å; F206-G213 VanDerWaalsContact O-N 3.12Å; R211-G213 PolarHBondContact O-N 3.47Å; G213-N238 WeakPolarHBondContact O-CB 3.39Å |
| 214 | D | 83.1 | Confident | 79.5 | Confident | 9 Ų | 9 | 37.3 Ų | 37.3 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | trans | -69.5 | 144.9 | -174 | -66.6 | -13.1 | 0 | 0 | 0 | 111.6 | L180 A204 F205 R211 | L180-D214 HydrophobicContact CB-CB 4.48Å; L180-D214 VanDerWaalsContact CB-OD1 3.25Å; L180-D214 WeakPolarHBondContact CB-OD1 3.18Å; L180-D214 PolarHBondContact N-OD1 3.27Å; L180-D214 CarbonylContact O-C 3.49Å; L180-D214 VanDerWaalsContact O-CA 3.32Å; L180-D214 WeakPolarHBondContact O-CA 3.48Å; A204-D214 CarbonylContact C-O 3.54Å; A204-D214 VanDerWaalsContact CA-O 3.28Å; A204-D214 WeakPolarHBondContact CA-O 3.43Å; F205-D214 HydrophobicContact CD2-CB 4.3Å; F205-D214 PolarHBondContact N-O 2.95Å; R211-D214 VanDerWaalsContact CA-OD2 3.3Å; R211-D214 WeakPolarHBondContact CA-OD2 3.18Å; R211-D214 WeakPolarHBondContact O-CB 3.3Å; R211-D214 PolarHBondContact O-N 2.86Å | ||
| 215 | I | 86.6 | Confident | 78.3 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.4 | 177.4 | -52.6 | 176 | 0 | 0 | 0 | 108.2 | I179 L180 I181 E182 A204 F217 L235 N238 | I179-I215 HydrophobicContact CG2-CD1 3.96Å; I179-I215 HydrophobicContact CG2-CG1 4.04Å; L180-I215 PolarHBondContact O-N 3.1Å; I181-I215 WeakPolarHBondContact CA-O 3.33Å; I181-I215 HydrophobicContact CD1-CD1 4.47Å; I181-I215 HydrophobicContact CG1-CB 4.32Å; I181-I215 HydrophobicContact CG1-CD1 4.25Å; E182-I215 PolarHBondContact N-O 2.67Å; A204-I215 HydrophobicContact CB-CB 4.49Å; A204-I215 HydrophobicContact CB-CG1 4.02Å; A204-I215 HydrophobicContact CB-CG2 4.46Å; I215-F217 HydrophobicContact CB-CE2 4.4Å; I215-F217 HydrophobicContact CG2-CD2 4.02Å; I215-F217 HydrophobicContact CG2-CE2 3.46Å; I215-F217 VanDerWaalsContact CG2-CE2 3.46Å; I215-F217 HydrophobicContact CG2-CZ 3.8Å; I215-L235 HydrophobicContact CG2-CB 4.24Å; I215-L235 HydrophobicContact CG2-CD1 4Å; I215-N238 HydrophobicContact CG1-CB 4.18Å |
| 216 | H | 84.5 | Confident | 77.2 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.3 | 175.2 | -59.8 | 166.6 | 0 | 0 | 0 | 109.5 | E182 L184 H188 D190 F194 A202 H203 F205 | E182-H216 CarbonylContact O-C 3.37Å; E182-H216 WeakPolarHBondContact O-CA 3.46Å; L184-H216 HydrophobicContact CD1-CB 4.24Å; H188-H216 AromaticContact CD2-CE1 3.96Å; H188-H216 AromaticContact CD2-ND1 3.38Å; H188-H216 PolarHBondContact CD2-ND1 3.47Å; H188-H216 AromaticContact NE2-CG 3.98Å; H188-H216 AromaticContact NE2-ND1 3.27Å; H188-H216 PolarHBondContact NE2-ND1 3.04Å; D190-H216 IonicContact OD2-CE1 3.9Å; D190-H216 PolarHBondContact OD2-CE1 3Å; D190-H216 VanDerWaalsContact OD2-CE1 3.25Å; D190-H216 IonicContact OD2-ND1 3.74Å; D190-H216 PolarHBondContact OD2-ND1 3.43Å; F194-H216 HydrophobicContact CE2-CB 4.18Å; F194-H216 HydrophobicContact CZ-CB 3.83Å; F194-H216 WeakPolarHBondContact CZ-O 3.41Å; A202-H216 CarbonylContact C-O 3.56Å; A202-H216 WeakPolarHBondContact CA-O 3.25Å; A202-H216 WeakPolarHBondContact CB-O 3.1Å; H203-H216 PolarHBondContact N-O 2.94Å; H203-H216 AromaticContact NE2-CG 3.9Å; H203-H216 AromaticContact NE2-ND1 3.38Å; H203-H216 PolarHBondContact NE2-ND1 3.49Å; H203-H216 PolarHBondContact O-N 3.25Å; F205-H216 AromaticContact CE2-CE1 3.78Å; F205-H216 AromaticContact CE2-ND1 3.98Å |
| 217 | F | 87.2 | Confident | 75.9 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.1 | 173.5 | -69.9 | -83.6 | 0 | 0 | 0 | 109.9 | I181 E182 F183 L184 F194 A202 I215 N219 W223 F228 L235 | I181-F217 HydrophobicContact CG2-CD2 3.87Å; I181-F217 HydrophobicContact CG2-CE2 3.59Å; E182-F217 PolarHBondContact O-N 3.28Å; F183-F217 WeakPolarHBondContact CA-O 3.3Å; F183-F217 HydrophobicContact CD1-CB 3.36Å; F183-F217 HydrophobicContact CD1-CG 4.21Å; F183-F217 HydrophobicContact CE1-CB 3.57Å; F183-F217 HydrophobicContact CE1-CD2 4.27Å; F183-F217 AromaticContact CE1-CG 3.94Å; F183-F217 HydrophobicContact CE1-CG 3.94Å; F183-F217 HydrophobicContact CE2-CD2 4.36Å; F183-F217 HydrophobicContact CG-CB 3.98Å; F183-F217 HydrophobicContact CZ-CB 4.32Å; F183-F217 HydrophobicContact CZ-CD2 4.19Å; F183-F217 HydrophobicContact CZ-CG 4.31Å; L184-F217 PolarHBondContact N-O 2.71Å; F194-F217 WeakPolarHBondContact CE2-O 3.49Å; A202-F217 HydrophobicContact CB-CD1 3.74Å; A202-F217 HydrophobicContact CB-CE1 4.23Å; A202-F217 HydrophobicContact CB-CG 4.34Å; I215-F217 HydrophobicContact CB-CE2 4.4Å; I215-F217 HydrophobicContact CG2-CD2 4.02Å; I215-F217 HydrophobicContact CG2-CE2 3.46Å; I215-F217 VanDerWaalsContact CG2-CE2 3.46Å; I215-F217 HydrophobicContact CG2-CZ 3.8Å; F217-N219 PolarHBondContact O-N 3.29Å; F217-N219 VanDerWaalsContact O-N 3.14Å; F217-W223 HydrophobicContact CB-CH2 4.34Å; F217-W223 HydrophobicContact CB-CZ2 3.81Å; F217-W223 AromaticContact CD1-CH2 3.43Å; F217-W223 HydrophobicContact CD1-CH2 3.43Å; F217-W223 VanDerWaalsContact CD1-CH2 3.43Å; F217-W223 AromaticContact CD1-CZ2 3.8Å; F217-W223 HydrophobicContact CD1-CZ2 3.8Å; F217-W223 AromaticContact CD1-CZ3 3.92Å; F217-W223 HydrophobicContact CD1-CZ3 3.92Å; F217-W223 HydrophobicContact CE1-CH2 4.18Å; F217-W223 HydrophobicContact CE1-CZ3 4.31Å; F217-W223 HydrophobicContact CG-CH2 4.34Å; F217-W223 HydrophobicContact CG-CZ2 4.27Å; F217-F228 HydrophobicContact CD1-CE2 4.34Å; F217-F228 HydrophobicContact CE1-CE2 4.23Å; F217-F228 HydrophobicContact CE1-CZ 4.42Å; F217-F228 HydrophobicContact CE2-CZ 4.25Å; F217-F228 HydrophobicContact CZ-CE2 4.35Å; F217-F228 HydrophobicContact CZ-CZ 4.11Å; F217-L235 HydrophobicContact CD1-CD1 3.95Å; F217-L235 HydrophobicContact CE1-CD1 3.25Å; F217-L235 HydrophobicContact CZ-CD1 3.63Å |
| 218 | D | 86.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 114.4 | 175.3 | -170.4 | -7.6 | 0 | 0 | 0 | 109.5 | F194 L201 D220 E221 W223 | F194-D218 HydrophobicContact CB-CB 4.19Å; F194-D218 WeakPolarHBondContact CB-OD2 3.44Å; F194-D218 HydrophobicContact CD1-CB 3.72Å; F194-D218 HydrophobicContact CD2-CB 3.95Å; F194-D218 HydrophobicContact CE1-CB 4.07Å; F194-D218 HydrophobicContact CE2-CB 4.25Å; F194-D218 HydrophobicContact CG-CB 3.68Å; F194-D218 HydrophobicContact CZ-CB 4.32Å; L201-D218 WeakPolarHBondContact O-CB 3.17Å; L201-D218 PolarHBondContact O-N 3.3Å; D218-D220 PolarHBondContact O-N 3.15Å; D218-D220 WeakPolarHBondContact OD1-CB 3Å; D218-D220 PolarHBondContact OD1-N 3.15Å; D218-E221 HydrophobicContact CB-CG 3.9Å; D218-E221 PolarHBondContact O-N 3.13Å; D218-W223 PolarHBondContact O-NE1 2.83Å |
| 219 | N | 86.9 | Confident | 72.8 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -15.5 | -178.2 | -168.6 | 71.2 | 0 | 0 | 0 | 113.2 | S140 F141 T142 F183 L184 S185 F217 E221 | S140-N219 PolarHBondContact O-ND2 3.48Å; F141-N219 VanDerWaalsContact C-CG 3.43Å; F141-N219 VanDerWaalsContact C-ND2 3.34Å; F141-N219 PolarHBondContact N-ND2 2.84Å; F141-N219 PolarHBondContact N-OD1 3Å; F141-N219 VanDerWaalsContact O-CG 3.29Å; F141-N219 PolarHBondContact O-ND2 3.29Å; F141-N219 PolarHBondContact O-OD1 2.97Å; T142-N219 VanDerWaalsContact CA-OD1 3.28Å; T142-N219 WeakPolarHBondContact CA-OD1 3.38Å; T142-N219 VanDerWaalsContact CB-OD1 3.3Å; T142-N219 WeakPolarHBondContact CB-OD1 3.42Å; T142-N219 PolarHBondContact N-OD1 3.31Å; F183-N219 HydrophobicContact CB-CB 4.09Å; F183-N219 WeakPolarHBondContact CB-OD1 3.45Å; L184-N219 VanDerWaalsContact O-CB 3.29Å; L184-N219 WeakPolarHBondContact O-CB 2.94Å; L184-N219 PolarHBondContact O-N 2.87Å; S185-N219 WeakPolarHBondContact OG-CB 2.92Å; F217-N219 PolarHBondContact O-N 3.29Å; F217-N219 VanDerWaalsContact O-N 3.14Å; N219-E221 PolarHBondContact O-N 3.35Å |
| 220 | D | 85.4 | Confident | 71.5 | Confident | 68 Ų | 68 | 35 Ų | 35 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8.1 | 176.9 | -61 | -24.2 | 0 | 0 | 0 | 112 | S185 D218 | S185-D220 WeakPolarHBondContact CB-OD1 3.49Å; S185-D220 PolarHBondContact OG-OD1 3.11Å; D218-D220 PolarHBondContact O-N 3.15Å; D218-D220 WeakPolarHBondContact OD1-CB 3Å; D218-D220 PolarHBondContact OD1-N 3.15Å |
| 221 | E | 83.1 | Confident | 70.1 | Confident | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -86.2 | 145.6 | 177.4 | -66.8 | -71.3 | -154.5 | 0 | 0 | 113.8 | K53 N198 L201 D218 N219 W223 | K53-E221 IonicContact NZ-OE1 3.65Å; K53-E221 PolarHBondContact NZ-OE1 3.49Å; K53-E221 IonicContact NZ-OE2 3.04Å; K53-E221 PolarHBondContact NZ-OE2 3.29Å; N198-E221 PolarHBondContact N-OE1 2.84Å; L201-E221 HydrophobicContact CD2-CG 4.07Å; D218-E221 HydrophobicContact CB-CG 3.9Å; D218-E221 PolarHBondContact O-N 3.13Å; N219-E221 PolarHBondContact O-N 3.35Å; E221-W223 HydrophobicContact CB-CZ2 4.2Å; E221-W223 PolarHBondContact O-N 2.98Å; E221-W223 VanDerWaalsContact O-N 3.12Å; E221-W223 PolarHBondContact O-NE1 3.38Å |
| 222 | I | 79.6 | Confident | 69.1 | Low | 126 Ų | 126 | 26.3 Ų | 26.3 | 65% | 0.646 | 15% | 0.147 | S | C | * | . | trans | -83.8 | 92.7 | 176.4 | -55 | 177.7 | 0 | 0 | 0 | 109.7 | T224 | I222-T224 HydrophobicContact CG2-CG2 4.3Å; I222-T224 PolarHBondContact O-N 3.43Å | ||
| 223 | W | 74.9 | Confident | 67.7 | Low | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | trans | -71.9 | 123.8 | 175.5 | -60.4 | 96 | 0 | 0 | 0 | 111.5 | H144 L145 F183 L201 F217 D218 E221 F228 Q231 | H144-W223 HydrophobicContact CB-CB 4.4Å; H144-W223 VanDerWaalsContact CB-O 3.27Å; H144-W223 WeakPolarHBondContact CB-O 3.34Å; L145-W223 HydrophobicContact CD1-CB 4.03Å; L145-W223 HydrophobicContact CG-CB 4.38Å; F183-W223 AromaticContact CD1-NE1 3.88Å; F183-W223 AromaticContact CE1-CD1 3.98Å; F183-W223 HydrophobicContact CE1-CD2 4.27Å; F183-W223 HydrophobicContact CE1-CG 4.23Å; F183-W223 AromaticContact CE1-NE1 3.86Å; L201-W223 HydrophobicContact CB-CH2 4.43Å; L201-W223 WeakPolarHBondContact O-CZ2 3.5Å; F217-W223 HydrophobicContact CB-CH2 4.34Å; F217-W223 HydrophobicContact CB-CZ2 3.81Å; F217-W223 AromaticContact CD1-CH2 3.43Å; F217-W223 HydrophobicContact CD1-CH2 3.43Å; F217-W223 VanDerWaalsContact CD1-CH2 3.43Å; F217-W223 AromaticContact CD1-CZ2 3.8Å; F217-W223 HydrophobicContact CD1-CZ2 3.8Å; F217-W223 AromaticContact CD1-CZ3 3.92Å; F217-W223 HydrophobicContact CD1-CZ3 3.92Å; F217-W223 HydrophobicContact CE1-CH2 4.18Å; F217-W223 HydrophobicContact CE1-CZ3 4.31Å; F217-W223 HydrophobicContact CG-CH2 4.34Å; F217-W223 HydrophobicContact CG-CZ2 4.27Å; D218-W223 PolarHBondContact O-NE1 2.83Å; E221-W223 HydrophobicContact CB-CZ2 4.2Å; E221-W223 PolarHBondContact O-N 2.98Å; E221-W223 VanDerWaalsContact O-N 3.12Å; E221-W223 PolarHBondContact O-NE1 3.38Å; W223-F228 HydrophobicContact CB-CD2 4.26Å; W223-F228 AromaticContact CD2-CD2 3.9Å; W223-F228 HydrophobicContact CD2-CD2 3.9Å; W223-F228 HydrophobicContact CD2-CE2 4.37Å; W223-F228 HydrophobicContact CE3-CB 4.33Å; W223-F228 AromaticContact CE3-CD2 3.44Å; W223-F228 HydrophobicContact CE3-CD2 3.44Å; W223-F228 VanDerWaalsContact CE3-CD2 3.44Å; W223-F228 HydrophobicContact CE3-CE2 4.12Å; W223-F228 HydrophobicContact CE3-CG 4.3Å; W223-F228 HydrophobicContact CG-CD2 4.25Å; W223-F228 HydrophobicContact CZ3-CD2 4.1Å; W223-Q231 HydrophobicContact CZ3-CB 3.94Å; W223-Q231 HydrophobicContact CZ3-CG 4.37Å | ||
| 224 | T | 67.1 | Low | 66.6 | Low | 69 Ų | 69 | 27 Ų | 27 | 42% | 0.423 | 15% | 0.147 | S | C | . | . | trans | -124.3 | 166.2 | 170.2 | 59.8 | 0 | 0 | 0 | 0 | 109.8 | I222 G226 P227 F228 | I222-T224 HydrophobicContact CG2-CG2 4.3Å; I222-T224 PolarHBondContact O-N 3.43Å; T224-G226 PolarHBondContact O-N 3.49Å; T224-P227 VanDerWaalsContact O-CD 3.24Å; T224-P227 WeakPolarHBondContact O-CD 3.14Å; T224-P227 WeakPolarHBondContact OG1-CD 3.29Å; T224-P227 WeakPolarHBondContact OG1-CG 3.36Å; T224-F228 WeakPolarHBondContact O-CB 3.37Å; T224-F228 PolarHBondContact O-N 3.35Å | ||
| 225 | E | 57.2 | Low | 65.3 | Low | 98 Ų | 98 | 27 Ų | 27 | 46% | 0.458 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.5 | -33.2 | -172.7 | -72.3 | 178.4 | 171.2 | 0 | 0 | 111.8 | L145 R149 | L145-E225 HydrophobicContact CD2-CG 3.79Å; R149-E225 WeakPolarHBondContact CD-OE1 3.45Å; R149-E225 WeakPolarHBondContact CG-OE1 3.45Å; R149-E225 IonicContact CZ-OE1 3.07Å; R149-E225 VanDerWaalsContact CZ-OE1 3.28Å; R149-E225 IonicContact NE-OE1 3.79Å; R149-E225 PolarHBondContact NE-OE1 3.25Å; R149-E225 IonicContact NH1-OE1 3.2Å; R149-E225 PolarHBondContact NH1-OE1 3.44Å; R149-E225 IonicContact NH1-OE2 2.7Å |
| 226 | G | 53.8 | Low | 63.9 | Low | 16 Ų | 16 | 26.8 Ų | 26.8 | 17% | 0.165 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.2 | -56.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T224 F228 A230 | T224-G226 PolarHBondContact O-N 3.49Å; G226-F228 VanDerWaalsContact C-N 3.3Å; G226-F228 PolarHBondContact O-N 2.9Å; G226-A230 PolarHBondContact O-N 2.97Å |
| 227 | P | 48.7 | Very low | 62.5 | Low | 27 Ų | 27 | 26.6 Ų | 26.6 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.6 | -35.7 | 175.6 | -28.7 | 34.6 | 0 | 0 | 0 | 114.5 | T224 Q231 | T224-P227 VanDerWaalsContact O-CD 3.24Å; T224-P227 WeakPolarHBondContact O-CD 3.14Å; T224-P227 WeakPolarHBondContact OG1-CD 3.29Å; T224-P227 WeakPolarHBondContact OG1-CG 3.36Å; P227-Q231 WeakPolarHBondContact O-CB 3.46Å; P227-Q231 VanDerWaalsContact O-CD 3.32Å; P227-Q231 WeakPolarHBondContact O-CG 3.28Å; P227-Q231 PolarHBondContact O-N 2.87Å; P227-Q231 VanDerWaalsContact O-N 3.12Å; P227-Q231 PolarHBondContact O-NE2 3.06Å |
| 228 | F | 48.5 | Very low | 61.7 | Low | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.9 | -45.2 | -173.9 | -163.4 | -81.7 | 0 | 0 | 0 | 112.1 | L145 T150 A153 V154 F183 F217 W223 T224 G226 A230 Q231 S232 | L145-F228 HydrophobicContact CD1-CB 3.73Å; L145-F228 HydrophobicContact CD1-CD2 3.95Å; L145-F228 HydrophobicContact CD1-CG 3.85Å; T150-F228 HydrophobicContact CG2-CE1 4.45Å; T150-F228 HydrophobicContact CG2-CZ 4.02Å; A153-F228 HydrophobicContact CB-CD1 3.2Å; A153-F228 HydrophobicContact CB-CE1 3.64Å; A153-F228 HydrophobicContact CB-CG 4.18Å; V154-F228 HydrophobicContact CG2-CE1 3.86Å; V154-F228 HydrophobicContact CG2-CZ 4.08Å; F183-F228 HydrophobicContact CE1-CD2 4.46Å; F183-F228 AromaticContact CE1-CE2 3.66Å; F183-F228 HydrophobicContact CE1-CE2 3.66Å; F183-F228 HydrophobicContact CE1-CZ 4.49Å; F183-F228 HydrophobicContact CE2-CE2 4.49Å; F183-F228 HydrophobicContact CZ-CD2 4.36Å; F183-F228 AromaticContact CZ-CE2 3.31Å; F183-F228 HydrophobicContact CZ-CE2 3.31Å; F183-F228 AromaticContact CZ-CZ 3.75Å; F183-F228 HydrophobicContact CZ-CZ 3.75Å; F217-F228 HydrophobicContact CD1-CE2 4.34Å; F217-F228 HydrophobicContact CE1-CE2 4.23Å; F217-F228 HydrophobicContact CE1-CZ 4.42Å; F217-F228 HydrophobicContact CE2-CZ 4.25Å; F217-F228 HydrophobicContact CZ-CE2 4.35Å; F217-F228 HydrophobicContact CZ-CZ 4.11Å; W223-F228 HydrophobicContact CB-CD2 4.26Å; W223-F228 AromaticContact CD2-CD2 3.9Å; W223-F228 HydrophobicContact CD2-CD2 3.9Å; W223-F228 HydrophobicContact CD2-CE2 4.37Å; W223-F228 HydrophobicContact CE3-CB 4.33Å; W223-F228 AromaticContact CE3-CD2 3.44Å; W223-F228 HydrophobicContact CE3-CD2 3.44Å; W223-F228 VanDerWaalsContact CE3-CD2 3.44Å; W223-F228 HydrophobicContact CE3-CE2 4.12Å; W223-F228 HydrophobicContact CE3-CG 4.3Å; W223-F228 HydrophobicContact CG-CD2 4.25Å; W223-F228 HydrophobicContact CZ3-CD2 4.1Å; T224-F228 WeakPolarHBondContact O-CB 3.37Å; T224-F228 PolarHBondContact O-N 3.35Å; G226-F228 VanDerWaalsContact C-N 3.3Å; G226-F228 PolarHBondContact O-N 2.9Å; F228-A230 PolarHBondContact O-N 2.7Å; F228-Q231 PolarHBondContact O-N 2.78Å; F228-S232 WeakPolarHBondContact O-CB 3.25Å; F228-S232 PolarHBondContact O-N 3.14Å; F228-S232 PolarHBondContact O-OG 3.21Å |
| 229 | D | 44.4 | Very low | 61.5 | Low | 58 Ų | 58 | 26.5 Ų | 26.5 | 31% | 0.31 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 179.1 | -69 | -12 | 0 | 0 | 0 | 111.3 | A153 Q231 S232 G233 | A153-D229 WeakPolarHBondContact CA-OD1 3.44Å; A153-D229 WeakPolarHBondContact CB-OD1 3.23Å; D229-Q231 VanDerWaalsContact C-N 3.29Å; D229-Q231 PolarHBondContact O-N 2.92Å; D229-S232 PolarHBondContact O-OG 3.2Å; D229-G233 PolarHBondContact O-N 3.49Å |
| 230 | A | 45.3 | Very low | 61 | Low | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.6 | -15.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G226 F228 K234 Y255 | G226-A230 PolarHBondContact O-N 2.97Å; F228-A230 PolarHBondContact O-N 2.7Å; A230-K234 WeakPolarHBondContact O-CD 3.32Å; A230-K234 WeakPolarHBondContact O-CE 3.43Å; A230-K234 WeakPolarHBondContact O-CG 3.5Å; A230-Y255 HydrophobicContact CB-CE2 4.22Å |
| 231 | Q | 48.9 | Very low | 60.7 | Low | 14 Ų | 14 | 22.9 Ų | 22.9 | 7% | 0.065 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -103.6 | -38.7 | -178.7 | -72.8 | 176.3 | 42.7 | 0 | 0 | 113.1 | L201 W223 P227 F228 D229 G233 K234 L235 Y255 | L201-Q231 HydrophobicContact CD1-CG 4.13Å; W223-Q231 HydrophobicContact CZ3-CB 3.94Å; W223-Q231 HydrophobicContact CZ3-CG 4.37Å; P227-Q231 WeakPolarHBondContact O-CB 3.46Å; P227-Q231 VanDerWaalsContact O-CD 3.32Å; P227-Q231 WeakPolarHBondContact O-CG 3.28Å; P227-Q231 PolarHBondContact O-N 2.87Å; P227-Q231 VanDerWaalsContact O-N 3.12Å; P227-Q231 PolarHBondContact O-NE2 3.06Å; F228-Q231 PolarHBondContact O-N 2.78Å; D229-Q231 VanDerWaalsContact C-N 3.29Å; D229-Q231 PolarHBondContact O-N 2.92Å; Q231-G233 PolarHBondContact O-N 2.83Å; Q231-K234 WeakPolarHBondContact O-CB 3.3Å; Q231-K234 PolarHBondContact O-N 2.97Å; Q231-L235 WeakPolarHBondContact O-CD1 3.15Å; Q231-L235 WeakPolarHBondContact O-CG 3.18Å; Q231-Y255 HydrophobicContact CG-CD2 3.65Å; Q231-Y255 HydrophobicContact CG-CE2 3.62Å |
| 232 | S | 48.9 | Very low | 60.4 | Low | 10 Ų | 10 | 22.8 Ų | 22.8 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.3 | -36.8 | 170.9 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | A157 F228 D229 K234 L235 | A157-S232 WeakPolarHBondContact CB-OG 3.44Å; F228-S232 WeakPolarHBondContact O-CB 3.25Å; F228-S232 PolarHBondContact O-N 3.14Å; F228-S232 PolarHBondContact O-OG 3.21Å; D229-S232 PolarHBondContact O-OG 3.2Å; S232-K234 PolarHBondContact O-N 2.94Å; S232-L235 PolarHBondContact O-N 2.97Å |
| 233 | G | 46.4 | Very low | 60.4 | Low | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D229 Q231 N236 L250 | D229-G233 PolarHBondContact O-N 3.49Å; Q231-G233 PolarHBondContact O-N 2.83Å; G233-N236 PolarHBondContact O-ND2 3.39Å; G233-L250 WeakPolarHBondContact O-CD2 3.4Å; G233-L250 WeakPolarHBondContact O-CG 3.24Å |
| 234 | K | 52.1 | Low | 60.7 | Low | 27 Ų | 27 | 17.6 Ų | 17.6 | 12% | 0.117 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -2.1 | -175.1 | -68.8 | -180 | 177.4 | -167.5 | 0 | 114.7 | A230 Q231 S232 L250 S256 | A230-K234 WeakPolarHBondContact O-CD 3.32Å; A230-K234 WeakPolarHBondContact O-CE 3.43Å; A230-K234 WeakPolarHBondContact O-CG 3.5Å; Q231-K234 WeakPolarHBondContact O-CB 3.3Å; Q231-K234 PolarHBondContact O-N 2.97Å; S232-K234 PolarHBondContact O-N 2.94Å; K234-L250 HydrophobicContact CD-CD1 4.43Å; K234-L250 HydrophobicContact CG-CD1 3.48Å; K234-L250 VanDerWaalsContact CG-CD1 3.48Å; K234-L250 HydrophobicContact CG-CG 4.05Å; K234-L250 VanDerWaalsContact CG-O 3.32Å; K234-L250 WeakPolarHBondContact CG-O 3.26Å; K234-S256 PolarHBondContact NZ-OG 2.9Å |
| 235 | L | 55.4 | Low | 61.5 | Low | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.042 | 10% | 0.102 | C | C | . | . | trans | -107.8 | 41.3 | -168.3 | -70.8 | 157.6 | 0 | 0 | 0 | 113.6 | A202 A204 I215 F217 Q231 S232 G237 N238 | A202-L235 HydrophobicContact CB-CD1 3.29Å; A202-L235 HydrophobicContact CB-CD2 3.56Å; A202-L235 HydrophobicContact CB-CG 4.01Å; A204-L235 HydrophobicContact CB-CB 4.27Å; A204-L235 WeakPolarHBondContact CB-O 3.22Å; I215-L235 HydrophobicContact CG2-CB 4.24Å; I215-L235 HydrophobicContact CG2-CD1 4Å; F217-L235 HydrophobicContact CD1-CD1 3.95Å; F217-L235 HydrophobicContact CE1-CD1 3.25Å; F217-L235 HydrophobicContact CZ-CD1 3.63Å; Q231-L235 WeakPolarHBondContact O-CD1 3.15Å; Q231-L235 WeakPolarHBondContact O-CG 3.18Å; S232-L235 PolarHBondContact O-N 2.97Å; L235-G237 PolarHBondContact O-N 2.78Å; L235-G237 VanDerWaalsContact O-N 3.15Å; L235-N238 PolarHBondContact O-OD1 2.86Å; L235-N238 VanDerWaalsContact O-OD1 3.13Å | ||
| 236 | N | 58 | Low | 62.6 | Low | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -89 | 25.5 | -175.7 | -46.5 | -75.6 | 0 | 0 | 0 | 114.5 | W161 G233 N238 L239 G240 L241 M251 | W161-N236 VanDerWaalsContact CD1-OD1 3.27Å; W161-N236 HydrophobicContact CH2-CB 4.48Å; W161-N236 HydrophobicContact CZ2-CB 3.98Å; W161-N236 VanDerWaalsContact CZ2-CG 3.42Å; W161-N236 WeakPolarHBondContact CZ2-ND2 3.48Å; W161-N236 PolarHBondContact NE1-ND2 2.99Å; W161-N236 PolarHBondContact NE1-OD1 3.09Å; G233-N236 PolarHBondContact O-ND2 3.39Å; N236-N238 VanDerWaalsContact CA-OD1 3.26Å; N236-N238 WeakPolarHBondContact CA-OD1 3.33Å; N236-N238 PolarHBondContact O-N 2.93Å; N236-L239 HydrophobicContact CB-CB 4.18Å; N236-L239 HydrophobicContact CB-CD1 4.04Å; N236-L239 HydrophobicContact CB-CG 4.04Å; N236-L239 PolarHBondContact O-N 3.08Å; N236-G240 PolarHBondContact O-N 3.12Å; N236-L241 HydrophobicContact CB-CD1 4.26Å; N236-L241 PolarHBondContact O-N 2.8Å; N236-L241 VanDerWaalsContact O-N 3.14Å; N236-M251 HydrophobicContact CB-SD 3.78Å |
| 237 | G | 55.4 | Low | 63.9 | Low | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -49.2 | -41.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F206 L235 L239 G240 L241 | F206-G237 VanDerWaalsContact CA-O 3.3Å; F206-G237 WeakPolarHBondContact CA-O 3.32Å; F206-G237 WeakPolarHBondContact CD1-O 3.35Å; L235-G237 PolarHBondContact O-N 2.78Å; L235-G237 VanDerWaalsContact O-N 3.15Å; G237-L239 PolarHBondContact O-N 3.14Å; G237-L239 VanDerWaalsContact O-N 3.09Å; G237-G240 PolarHBondContact O-N 2.75Å; G237-L241 WeakPolarHBondContact CA-O 3.27Å |
| 238 | N | 69.5 | Low | 65.3 | Low | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -62.9 | -14.7 | 176.7 | 74.3 | -36.2 | 0 | 0 | 0 | 115.9 | W75 I179 A204 F205 P207 G213 I215 L235 N236 | W75-N238 PolarHBondContact NE1-O 2.87Å; I179-N238 VanDerWaalsContact CD1-ND2 3.27Å; I179-N238 WeakPolarHBondContact CD1-ND2 3.14Å; A204-N238 HydrophobicContact CB-CB 4.29Å; F205-N238 WeakPolarHBondContact O-CA 3.43Å; F205-N238 PolarHBondContact O-N 3.28Å; P207-N238 VanDerWaalsContact CG-O 3.32Å; P207-N238 WeakPolarHBondContact CG-O 3.46Å; G213-N238 WeakPolarHBondContact O-CB 3.39Å; I215-N238 HydrophobicContact CG1-CB 4.18Å; L235-N238 PolarHBondContact O-OD1 2.86Å; L235-N238 VanDerWaalsContact O-OD1 3.13Å; N236-N238 VanDerWaalsContact CA-OD1 3.26Å; N236-N238 WeakPolarHBondContact CA-OD1 3.33Å; N236-N238 PolarHBondContact O-N 2.93Å |
| 239 | L | 83 | Confident | 67 | Low | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -99.3 | 1.5 | 172.9 | -54.9 | -174.5 | 0 | 0 | 0 | 112.1 | L80 W161 L167 F169 N236 G237 I272 Y276 | L80-L239 HydrophobicContact CD1-CD2 3.94Å; W161-L239 HydrophobicContact CB-CD1 3.68Å; W161-L239 HydrophobicContact CD2-CD1 3.96Å; W161-L239 HydrophobicContact CE3-CD1 4.42Å; W161-L239 HydrophobicContact CG-CD1 3.59Å; L167-L239 HydrophobicContact CD1-CD1 4.02Å; L167-L239 HydrophobicContact CD1-CD2 3.96Å; L167-L239 HydrophobicContact CD1-CG 4.44Å; F169-L239 HydrophobicContact CE1-CD2 3.84Å; F169-L239 HydrophobicContact CZ-CD1 4.11Å; F169-L239 HydrophobicContact CZ-CD2 3.79Å; N236-L239 HydrophobicContact CB-CB 4.18Å; N236-L239 HydrophobicContact CB-CD1 4.04Å; N236-L239 HydrophobicContact CB-CG 4.04Å; N236-L239 PolarHBondContact O-N 3.08Å; G237-L239 PolarHBondContact O-N 3.14Å; G237-L239 VanDerWaalsContact O-N 3.09Å; L239-I272 HydrophobicContact CB-CD1 3.93Å; L239-I272 HydrophobicContact CD1-CD1 3.9Å; L239-Y276 HydrophobicContact CB-CE2 4.25Å; L239-Y276 WeakPolarHBondContact O-CE2 3.38Å; L239-Y276 VanDerWaalsContact O-CZ 3.27Å; L239-Y276 PolarHBondContact O-OH 2.93Å |
| 240 | G | 76.3 | Confident | 68.8 | Low | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 13.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q71 G72 S73 N236 G237 L275 | Q71-G240 CarbonylContact C-O 3.6Å; Q71-G240 VanDerWaalsContact CA-O 3.29Å; Q71-G240 WeakPolarHBondContact CA-O 3.49Å; G72-G240 PolarHBondContact N-O 2.52Å; S73-G240 WeakPolarHBondContact O-CA 3.48Å; N236-G240 PolarHBondContact O-N 3.12Å; G237-G240 PolarHBondContact O-N 2.75Å; G240-L275 WeakPolarHBondContact O-CD1 3.41Å |
| 241 | L | 78.6 | Confident | 70.6 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -96.2 | 132.3 | 178.4 | -59 | -179.7 | 0 | 0 | 0 | 111.3 | W161 F206 N236 G237 M251 A271 I272 L275 | W161-L241 HydrophobicContact CE3-CD1 4.16Å; W161-L241 HydrophobicContact CH2-CD1 3.59Å; W161-L241 HydrophobicContact CZ3-CD1 3.4Å; W161-L241 VanDerWaalsContact CZ3-CD1 3.4Å; F206-L241 WeakPolarHBondContact CE1-O 3.47Å; N236-L241 HydrophobicContact CB-CD1 4.26Å; N236-L241 PolarHBondContact O-N 2.8Å; N236-L241 VanDerWaalsContact O-N 3.14Å; G237-L241 WeakPolarHBondContact CA-O 3.27Å; L241-M251 HydrophobicContact CB-CE 3.74Å; L241-M251 HydrophobicContact CB-CG 4.12Å; L241-M251 HydrophobicContact CB-SD 4Å; L241-M251 HydrophobicContact CD1-CG 4.16Å; L241-M251 HydrophobicContact CD1-SD 4.31Å; L241-M251 VanDerWaalsContact O-CE 3.27Å; L241-M251 WeakPolarHBondContact O-CE 3.43Å; L241-A271 HydrophobicContact CD2-CB 3.73Å; L241-I272 HydrophobicContact CD1-CB 4.25Å; L241-I272 HydrophobicContact CD1-CD1 3.96Å; L241-I272 HydrophobicContact CG-CD1 4.28Å; L241-L275 HydrophobicContact CD2-CD1 3.67Å; L241-L275 HydrophobicContact CD2-CG 4.48Å; L241-L275 HydrophobicContact CG-CD1 4.44Å |
| 242 | G | 75.9 | Confident | 72.2 | Confident | 10 Ų | 10 | 25 Ų | 25 | 10% | 0.103 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 165.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W70 S244 M251 | W70-G242 PolarHBondContact O-N 2.77Å; G242-S244 PolarHBondContact O-N 2.93Å; G242-M251 WeakPolarHBondContact O-CE 3.33Å |
| 243 | H | 80.4 | Confident | 73.9 | Confident | 17 Ų | 17 | 24.8 Ų | 24.8 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 133.5 | 172.6 | -74.2 | 163.5 | 0 | 0 | 0 | 111 | F33 C55 L57 D59 W70 M251 P253 | F33-H243 HydrophobicContact CZ-CB 4.12Å; C55-H243 WeakPolarHBondContact CB-NE2 3.21Å; C55-H243 PolarHBondContact SG-NE2 3.12Å; L57-H243 PolarHBondContact O-CE1 3.25Å; L57-H243 VanDerWaalsContact O-CE1 3.25Å; D59-H243 IonicContact OD1-CE1 2.73Å; D59-H243 IonicContact OD1-CG 2.84Å; D59-H243 IonicContact OD1-ND1 3.93Å; D59-H243 PolarHBondContact OD1-ND1 3.47Å; W70-H243 WeakPolarHBondContact CZ3-O 3.31Å; H243-M251 CarbonylContact C-O 3.6Å; H243-M251 WeakPolarHBondContact CA-O 3.38Å; H243-P253 HydrophobicContact CB-CB 4.47Å; H243-P253 HydrophobicContact CB-CG 4.33Å |
| 244 | S | 81.6 | Confident | 75.8 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 152.6 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | W70 G242 V246 M251 F252 P253 D267 | W70-S244 VanDerWaalsContact CZ3-C 3.48Å; G242-S244 PolarHBondContact O-N 2.93Å; S244-V246 WeakPolarHBondContact OG-CB 3.27Å; S244-V246 PolarHBondContact OG-N 3.09Å; S244-M251 PolarHBondContact N-O 3Å; S244-F252 WeakPolarHBondContact O-CD2 3.44Å; S244-P253 WeakPolarHBondContact O-CD 3.2Å; S244-D267 VanDerWaalsContact CB-OD2 3.28Å; S244-D267 WeakPolarHBondContact CB-OD2 3.3Å; S244-D267 PolarHBondContact OG-OD2 2.98Å |
| 245 | K | 82.4 | Confident | 77 | Confident | 100 Ų | 100 | 26.1 Ų | 26.1 | 44% | 0.435 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -87.8 | -13.6 | 165.5 | -84.2 | 170.3 | -169.6 | -168.6 | 0 | 112.3 | F33 W70 R247 | F33-K245 HydrophobicContact CD1-CG 4.37Å; F33-K245 HydrophobicContact CD2-CD 4.3Å; F33-K245 HydrophobicContact CD2-CG 3.71Å; F33-K245 HydrophobicContact CE1-CG 4.37Å; F33-K245 HydrophobicContact CE2-CG 3.75Å; F33-K245 HydrophobicContact CG-CG 4.02Å; F33-K245 HydrophobicContact CZ-CG 4.08Å; W70-K245 HydrophobicContact CH2-CB 3.79Å; W70-K245 HydrophobicContact CH2-CD 3.77Å; W70-K245 HydrophobicContact CH2-CG 3.61Å; W70-K245 HydrophobicContact CZ2-CD 4.28Å; W70-K245 HydrophobicContact CZ3-CB 4.45Å; W70-K245 HydrophobicContact CZ3-CG 4.37Å; W70-K245 VanDerWaalsContact CZ3-N 3.28Å; K245-R247 PolarHBondContact O-N 3.44Å |
| 246 | V | 81 | Confident | 77.6 | Confident | 56 Ų | 56 | 30.3 Ų | 30.3 | 34% | 0.339 | 16% | 0.157 | S | C | . | . | trans | -76.5 | 114.2 | -179.3 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | S244 N248 A249 F252 D267 | S244-V246 WeakPolarHBondContact OG-CB 3.27Å; S244-V246 PolarHBondContact OG-N 3.09Å; V246-N248 PolarHBondContact O-N 3.37Å; V246-N248 VanDerWaalsContact O-N 3.1Å; V246-A249 HydrophobicContact CB-CB 3.89Å; V246-A249 HydrophobicContact CG1-CB 4.2Å; V246-A249 VanDerWaalsContact O-CB 3.31Å; V246-A249 WeakPolarHBondContact O-CB 3.18Å; V246-A249 PolarHBondContact O-N 3.48Å; V246-F252 WeakPolarHBondContact O-CB 3.43Å; V246-D267 HydrophobicContact CB-CB 4.29Å; V246-D267 HydrophobicContact CG2-CB 4.02Å | ||
| 247 | R | 81.8 | Confident | 77.7 | Confident | 113 Ų | 113 | 31.4 Ų | 31.4 | 43% | 0.426 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.8 | -172.4 | -70.8 | 177.1 | 173.1 | -92.9 | 11.1 | 114.8 | A34 G35 K245 F252 | A34-R247 PolarHBondContact O-NE 2.88Å; A34-R247 PolarHBondContact O-NH1 3.13Å; A34-R247 PolarHBondContact O-NH2 2.95Å; G35-R247 PolarHBondContact O-NH2 3.3Å; K245-R247 PolarHBondContact O-N 3.44Å; R247-F252 HydrophobicContact CG-CE1 4.34Å; R247-F252 HydrophobicContact CG-CE2 4.16Å; R247-F252 HydrophobicContact CG-CZ 3.95Å |
| 248 | N | 78.4 | Confident | 77.5 | Confident | 134 Ų | 134 | 37.4 Ų | 37.4 | 72% | 0.717 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -12.9 | -179.8 | -65.6 | -10.5 | 0 | 0 | 0 | 112.7 | V246 | V246-N248 PolarHBondContact O-N 3.37Å; V246-N248 VanDerWaalsContact O-N 3.1Å |
| 249 | A | 82.5 | Confident | 76.6 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -65.4 | 140.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V246 M251 F252 D265 D267 D268 | V246-A249 HydrophobicContact CB-CB 3.89Å; V246-A249 HydrophobicContact CG1-CB 4.2Å; V246-A249 VanDerWaalsContact O-CB 3.31Å; V246-A249 WeakPolarHBondContact O-CB 3.18Å; V246-A249 PolarHBondContact O-N 3.48Å; A249-M251 PolarHBondContact O-N 3.38Å; A249-F252 WeakPolarHBondContact O-CB 3.27Å; A249-F252 PolarHBondContact O-N 2.81Å; A249-D265 HydrophobicContact CB-CB 4.04Å; A249-D267 HydrophobicContact CB-CB 4.25Å; A249-D268 VanDerWaalsContact CA-OD2 3.29Å; A249-D268 WeakPolarHBondContact CA-OD2 3.43Å |
| 250 | L | 82.7 | Confident | 74.9 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -31.1 | 175.5 | -165.9 | 60 | 0 | 0 | 0 | 110.5 | W161 G233 K234 F252 V262 L264 D268 | W161-L250 HydrophobicContact CZ2-CD2 3.82Å; W161-L250 HydrophobicContact CZ2-CG 4.45Å; G233-L250 WeakPolarHBondContact O-CD2 3.4Å; G233-L250 WeakPolarHBondContact O-CG 3.24Å; K234-L250 HydrophobicContact CD-CD1 4.43Å; K234-L250 HydrophobicContact CG-CD1 3.48Å; K234-L250 VanDerWaalsContact CG-CD1 3.48Å; K234-L250 HydrophobicContact CG-CG 4.05Å; K234-L250 VanDerWaalsContact CG-O 3.32Å; K234-L250 WeakPolarHBondContact CG-O 3.26Å; L250-F252 PolarHBondContact O-N 3.28Å; L250-V262 HydrophobicContact CD1-CG1 3.69Å; L250-V262 HydrophobicContact CD2-CG1 3.53Å; L250-V262 HydrophobicContact CG-CG1 4.29Å; L250-L264 HydrophobicContact CB-CD2 4.1Å; L250-L264 HydrophobicContact CD2-CD2 3.56Å; L250-D268 PolarHBondContact N-OD1 2.83Å; L250-D268 PolarHBondContact N-OD2 2.69Å |
| 251 | M | 82.8 | Confident | 74 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 1.4 | 172.2 | -64.8 | -55.4 | -58.8 | 0 | 0 | 114.2 | W161 N236 L241 G242 H243 S244 A249 D268 | W161-M251 HydrophobicContact CH2-CG 4.29Å; W161-M251 HydrophobicContact CH2-SD 4.42Å; W161-M251 HydrophobicContact CZ2-SD 4.46Å; N236-M251 HydrophobicContact CB-SD 3.78Å; L241-M251 HydrophobicContact CB-CE 3.74Å; L241-M251 HydrophobicContact CB-CG 4.12Å; L241-M251 HydrophobicContact CB-SD 4Å; L241-M251 HydrophobicContact CD1-CG 4.16Å; L241-M251 HydrophobicContact CD1-SD 4.31Å; L241-M251 VanDerWaalsContact O-CE 3.27Å; L241-M251 WeakPolarHBondContact O-CE 3.43Å; G242-M251 WeakPolarHBondContact O-CE 3.33Å; H243-M251 CarbonylContact C-O 3.6Å; H243-M251 WeakPolarHBondContact CA-O 3.38Å; S244-M251 PolarHBondContact N-O 3Å; A249-M251 PolarHBondContact O-N 3.38Å; M251-D268 WeakPolarHBondContact CB-OD1 3.4Å; M251-D268 VanDerWaalsContact CG-OD1 3.32Å; M251-D268 WeakPolarHBondContact CG-OD1 3.42Å; M251-D268 PolarHBondContact N-OD1 3.35Å |
| 252 | F | 84.2 | Confident | 73.4 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | trans | -65.4 | 129.2 | 171.6 | -170.4 | -116.2 | 0 | 0 | 0 | 110.4 | S244 V246 R247 A249 L250 Y254 | S244-F252 WeakPolarHBondContact O-CD2 3.44Å; V246-F252 WeakPolarHBondContact O-CB 3.43Å; R247-F252 HydrophobicContact CG-CE1 4.34Å; R247-F252 HydrophobicContact CG-CE2 4.16Å; R247-F252 HydrophobicContact CG-CZ 3.95Å; A249-F252 WeakPolarHBondContact O-CB 3.27Å; A249-F252 PolarHBondContact O-N 2.81Å; L250-F252 PolarHBondContact O-N 3.28Å; F252-Y254 HydrophobicContact CD1-CD2 4.21Å; F252-Y254 AromaticContact CE1-CD2 3.54Å; F252-Y254 HydrophobicContact CE1-CD2 3.54Å; F252-Y254 HydrophobicContact CE1-CG 4.07Å; F252-Y254 HydrophobicContact CE2-CD2 4.24Å; F252-Y254 AromaticContact CZ-CD2 3.54Å; F252-Y254 HydrophobicContact CZ-CD2 3.54Å; F252-Y254 HydrophobicContact CZ-CE2 4.19Å; F252-Y254 HydrophobicContact CZ-CG 4.47Å; F252-Y254 PolarHBondContact O-N 3Å; F252-Y254 VanDerWaalsContact O-N 3.12Å | ||
| 253 | P | 84.5 | Confident | 73.2 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.032 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -66 | -24.6 | -166.9 | 17.5 | -27.9 | 0 | 0 | 0 | 114.4 | F33 R54 C55 D59 H243 S244 | F33-P253 HydrophobicContact CD1-CG 4.49Å; F33-P253 HydrophobicContact CE1-CG 3.62Å; F33-P253 HydrophobicContact CZ-CG 4.36Å; R54-P253 CarbonylContact C-O 3.57Å; R54-P253 WeakPolarHBondContact CA-O 3.13Å; R54-P253 WeakPolarHBondContact CB-O 3.26Å; C55-P253 PolarHBondContact N-O 2.99Å; D59-P253 WeakPolarHBondContact OD1-CG 3.46Å; H243-P253 HydrophobicContact CB-CB 4.47Å; H243-P253 HydrophobicContact CB-CG 4.33Å; S244-P253 WeakPolarHBondContact O-CD 3.2Å |
| 254 | Y | 86 | Confident | 73.1 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -90.2 | 140.1 | -174 | -58.6 | -90.6 | 0 | 0 | 0 | 112 | L30 A34 L49 T52 R54 F252 S256 | L30-Y254 VanDerWaalsContact CD1-OH 3.28Å; L30-Y254 WeakPolarHBondContact CD1-OH 3.37Å; A34-Y254 HydrophobicContact CB-CE2 4.08Å; L49-Y254 HydrophobicContact CD1-CD1 3.81Å; L49-Y254 HydrophobicContact CD1-CD2 4.06Å; L49-Y254 HydrophobicContact CD1-CE1 3.51Å; L49-Y254 HydrophobicContact CD1-CE2 3.8Å; L49-Y254 HydrophobicContact CD1-CG 4.07Å; L49-Y254 HydrophobicContact CG-CD1 4.42Å; L49-Y254 HydrophobicContact CG-CE1 3.69Å; L49-Y254 HydrophobicContact CG-CE2 4.42Å; L49-Y254 WeakPolarHBondContact O-CE1 3.16Å; T52-Y254 HydrophobicContact CG2-CD1 4.24Å; R54-Y254 HydrophobicContact CB-CD1 4.12Å; R54-Y254 PolarHBondContact NH1-OH 2.87Å; F252-Y254 HydrophobicContact CD1-CD2 4.21Å; F252-Y254 AromaticContact CE1-CD2 3.54Å; F252-Y254 HydrophobicContact CE1-CD2 3.54Å; F252-Y254 HydrophobicContact CE1-CG 4.07Å; F252-Y254 HydrophobicContact CE2-CD2 4.24Å; F252-Y254 AromaticContact CZ-CD2 3.54Å; F252-Y254 HydrophobicContact CZ-CD2 3.54Å; F252-Y254 HydrophobicContact CZ-CE2 4.19Å; F252-Y254 HydrophobicContact CZ-CG 4.47Å; F252-Y254 PolarHBondContact O-N 3Å; F252-Y254 VanDerWaalsContact O-N 3.12Å; Y254-S256 PolarHBondContact O-N 3.06Å; Y254-S256 VanDerWaalsContact O-N 3.11Å |
| 255 | Y | 77 | Confident | 73.2 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | trans | -71.1 | 106.8 | 175.7 | -176.7 | -106 | 0 | 0 | 0 | 110.6 | K53 L201 A230 Q231 G257 | K53-Y255 VanDerWaalsContact O-CB 3.24Å; K53-Y255 WeakPolarHBondContact O-CB 3.25Å; K53-Y255 PolarHBondContact O-N 3.01Å; L201-Y255 HydrophobicContact CD1-CD2 4.32Å; L201-Y255 HydrophobicContact CD1-CG 4.21Å; A230-Y255 HydrophobicContact CB-CE2 4.22Å; Q231-Y255 HydrophobicContact CG-CD2 3.65Å; Q231-Y255 HydrophobicContact CG-CE2 3.62Å; Y255-G257 VanDerWaalsContact C-N 3.29Å; Y255-G257 VanDerWaalsContact CE1-CA 3.47Å; Y255-G257 PolarHBondContact O-N 3.48Å | ||
| 256 | S | 66.8 | Low | 73.1 | Confident | 96 Ų | 96 | 74.8 Ų | 74.8 | 67% | 0.671 | 36% | 0.355 | S | S | * | . | trans | -79.1 | 0.4 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 115.2 | K234 Y254 | K234-S256 PolarHBondContact NZ-OG 2.9Å; Y254-S256 PolarHBondContact O-N 3.06Å; Y254-S256 VanDerWaalsContact O-N 3.11Å | ||
| 257 | G | 60.9 | Low | 73.1 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 26% | 0.258 | 35% | 0.35 | S | S | . | . | trans | 95.4 | -164.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y255 | Y255-G257 VanDerWaalsContact C-N 3.29Å; Y255-G257 VanDerWaalsContact CE1-CA 3.47Å; Y255-G257 PolarHBondContact O-N 3.48Å | ||
| 258 | F | 51.4 | Low | 73.1 | Confident | 129 Ų | 129 | 69 Ų | 69 | 57% | 0.566 | 33% | 0.33 | S | S | * | . | trans | -91.3 | 116.6 | -175.1 | 175 | -106.5 | 0 | 0 | 0 | 110.5 | R260 | F258-R260 HydrophobicContact CD1-CG 4.39Å; F258-R260 HydrophobicContact CE1-CG 3.42Å; F258-R260 VanDerWaalsContact CE1-CG 3.42Å; F258-R260 HydrophobicContact CZ-CB 4.49Å; F258-R260 HydrophobicContact CZ-CG 3.6Å | ||
| 259 | D | 51.1 | Low | 73.2 | Confident | 122 Ų | 122 | 64.7 Ų | 64.7 | 65% | 0.652 | 31% | 0.307 | S | S | * | . | trans | -109.9 | 140.5 | 157.1 | -150.1 | -23.9 | 0 | 0 | 0 | 108.9 | R261 | D259-R261 PolarHBondContact O-N 3.46Š| ||
| 260 | R | 46.8 | Very low | 73.2 | Confident | 219 Ų | 219 | 67.9 Ų | 67.9 | 83% | 0.826 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -71.7 | -15.6 | -174.2 | -74.1 | -175.9 | -178.3 | -158.5 | 0.7 | 112.7 | F258 | F258-R260 HydrophobicContact CD1-CG 4.39Å; F258-R260 HydrophobicContact CE1-CG 3.42Å; F258-R260 VanDerWaalsContact CE1-CG 3.42Å; F258-R260 HydrophobicContact CZ-CB 4.49Å; F258-R260 HydrophobicContact CZ-CG 3.6Å |
| 261 | R | 57.9 | Low | 73.1 | Confident | 187 Ų | 187 | 68.4 Ų | 68.4 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -133.8 | 123.8 | 170.8 | -97 | -176 | 177.5 | -171.1 | -3 | 108.4 | D259 E263 | D259-R261 PolarHBondContact O-N 3.46Å; R261-E263 HydrophobicContact CB-CG 4.37Å; R261-E263 PolarHBondContact O-N 3.39Å |
| 262 | V | 64.8 | Low | 73.2 | Confident | 42 Ų | 42 | 68 Ų | 68 | 26% | 0.255 | 33% | 0.327 | S | S | . | . | trans | -77.9 | 106.5 | 168 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | V160 L250 | V160-V262 HydrophobicContact CG2-CG1 4.46Å; L250-V262 HydrophobicContact CD1-CG1 3.69Å; L250-V262 HydrophobicContact CD2-CG1 3.53Å; L250-V262 HydrophobicContact CG-CG1 4.29Å | ||
| 263 | E | 71.7 | Confident | 73.4 | Confident | 143 Ų | 143 | 69.3 Ų | 69.3 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | trans | -105.9 | 135.6 | 171.3 | -65 | -175.2 | 177.2 | 0 | 0 | 108.3 | R261 | R261-E263 HydrophobicContact CB-CG 4.37Å; R261-E263 PolarHBondContact O-N 3.39Å | ||
| 264 | L | 78.5 | Confident | 73.3 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | trans | -71.7 | 134.4 | 175.2 | -68.1 | -178.1 | 0 | 0 | 0 | 109.8 | V160 W161 A164 L250 D268 I269 | V160-L264 HydrophobicContact CG1-CD1 3.89Å; V160-L264 HydrophobicContact CG1-CD2 3.54Å; V160-L264 HydrophobicContact CG1-CG 3.42Å; V160-L264 VanDerWaalsContact CG1-CG 3.42Å; W161-L264 HydrophobicContact CD2-CD1 4.47Å; W161-L264 HydrophobicContact CD2-CD2 4.44Å; W161-L264 HydrophobicContact CE3-CD1 3.96Å; W161-L264 HydrophobicContact CE3-CD2 4.33Å; W161-L264 HydrophobicContact CH2-CD1 4.45Å; W161-L264 HydrophobicContact CH2-CD2 3.55Å; W161-L264 HydrophobicContact CZ2-CD2 3.58Å; W161-L264 HydrophobicContact CZ3-CD1 3.95Å; W161-L264 HydrophobicContact CZ3-CD2 3.91Å; A164-L264 HydrophobicContact CB-CD1 3.49Å; A164-L264 VanDerWaalsContact CB-CD1 3.49Å; L250-L264 HydrophobicContact CB-CD2 4.1Å; L250-L264 HydrophobicContact CD2-CD2 3.56Å; L264-D268 HydrophobicContact CB-CB 4.08Å; L264-D268 HydrophobicContact CD2-CB 3.92Å; L264-D268 HydrophobicContact CG-CB 4.41Å; L264-I269 HydrophobicContact CB-CD1 4.23Å; L264-I269 HydrophobicContact CB-CG1 3.7Å; L264-I269 HydrophobicContact CD1-CG1 4.21Å | ||
| 265 | D | 84 | Confident | 73.2 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | trans | -68 | 159.5 | 168.4 | -170.1 | -86.5 | 0 | 0 | 0 | 109.3 | A249 D267 D268 I269 | A249-D265 HydrophobicContact CB-CB 4.04Å; D265-D267 PolarHBondContact O-N 3.03Å; D265-D267 PolarHBondContact OD1-N 3.47Å; D265-D268 PolarHBondContact N-OD2 3.05Å; D265-D268 VanDerWaalsContact N-OD2 3.07Å; D265-D268 PolarHBondContact O-N 2.97Å; D265-D268 VanDerWaalsContact O-N 3.07Å; D265-I269 WeakPolarHBondContact O-CG1 2.92Å; D265-I269 PolarHBondContact O-N 3.28Å; D265-I269 VanDerWaalsContact O-N 3.11Å | ||
| 266 | Y | 80.8 | Confident | 73.8 | Confident | 132 Ų | 132 | 75.7 Ų | 75.7 | 52% | 0.518 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -51.3 | -43 | 173.5 | -178.6 | -105.6 | 0 | 0 | 0 | 110.9 | D268 I269 I270 A286 | Y266-D268 VanDerWaalsContact C-N 3.31Å; Y266-D268 PolarHBondContact O-N 2.99Å; Y266-I269 PolarHBondContact O-N 3.46Å; Y266-I269 VanDerWaalsContact O-N 3.1Å; Y266-I270 HydrophobicContact CD1-CD1 3.75Å; Y266-I270 HydrophobicContact CD1-CG1 4Å; Y266-I270 HydrophobicContact CE1-CD1 3.47Å; Y266-I270 VanDerWaalsContact CE1-CD1 3.47Å; Y266-I270 HydrophobicContact CE1-CG1 3.88Å; Y266-I270 HydrophobicContact CE1-CG2 4.36Å; Y266-I270 HydrophobicContact CE2-CG2 4.31Å; Y266-I270 HydrophobicContact CG-CG1 4.45Å; Y266-I270 WeakPolarHBondContact O-CG1 3.27Å; Y266-I270 PolarHBondContact O-N 2.81Å; Y266-A286 HydrophobicContact CD2-CB 3.82Å; Y266-A286 HydrophobicContact CE2-CB 3.78Å |
| 267 | D | 81.3 | Confident | 74.8 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.8 | -42.7 | 178.1 | -169.9 | 64.9 | 0 | 0 | 0 | 113.1 | S244 V246 A249 D265 A271 | S244-D267 VanDerWaalsContact CB-OD2 3.28Å; S244-D267 WeakPolarHBondContact CB-OD2 3.3Å; S244-D267 PolarHBondContact OG-OD2 2.98Å; V246-D267 HydrophobicContact CB-CB 4.29Å; V246-D267 HydrophobicContact CG2-CB 4.02Å; A249-D267 HydrophobicContact CB-CB 4.25Å; D265-D267 PolarHBondContact O-N 3.03Å; D265-D267 PolarHBondContact OD1-N 3.47Å; D267-A271 VanDerWaalsContact O-CB 3.23Å; D267-A271 WeakPolarHBondContact O-CB 3.41Å; D267-A271 PolarHBondContact O-N 3.37Å; D267-A271 VanDerWaalsContact O-N 3.14Å |
| 268 | D | 80.2 | Confident | 76.1 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.4 | -42 | 177.4 | -58.5 | -59.2 | 0 | 0 | 0 | 111.6 | W161 A249 L250 M251 L264 D265 Y266 A271 I272 | W161-D268 HydrophobicContact CH2-CB 3.88Å; W161-D268 HydrophobicContact CZ3-CB 4.14Å; A249-D268 VanDerWaalsContact CA-OD2 3.29Å; A249-D268 WeakPolarHBondContact CA-OD2 3.43Å; L250-D268 PolarHBondContact N-OD1 2.83Å; L250-D268 PolarHBondContact N-OD2 2.69Å; M251-D268 WeakPolarHBondContact CB-OD1 3.4Å; M251-D268 VanDerWaalsContact CG-OD1 3.32Å; M251-D268 WeakPolarHBondContact CG-OD1 3.42Å; M251-D268 PolarHBondContact N-OD1 3.35Å; L264-D268 HydrophobicContact CB-CB 4.08Å; L264-D268 HydrophobicContact CD2-CB 3.92Å; L264-D268 HydrophobicContact CG-CB 4.41Å; D265-D268 PolarHBondContact N-OD2 3.05Å; D265-D268 VanDerWaalsContact N-OD2 3.07Å; D265-D268 PolarHBondContact O-N 2.97Å; D265-D268 VanDerWaalsContact O-N 3.07Å; Y266-D268 VanDerWaalsContact C-N 3.31Å; Y266-D268 PolarHBondContact O-N 2.99Å; D268-A271 PolarHBondContact O-N 3.08Å; D268-I272 WeakPolarHBondContact O-CG2 3.36Å; D268-I272 PolarHBondContact O-N 3.24Å |
| 269 | I | 81.8 | Confident | 77.1 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -51.7 | -178 | -65.2 | 170.4 | 0 | 0 | 0 | 110.6 | L264 D265 Y266 A271 I272 Q273 | L264-I269 HydrophobicContact CB-CD1 4.23Å; L264-I269 HydrophobicContact CB-CG1 3.7Å; L264-I269 HydrophobicContact CD1-CG1 4.21Å; D265-I269 WeakPolarHBondContact O-CG1 2.92Å; D265-I269 PolarHBondContact O-N 3.28Å; D265-I269 VanDerWaalsContact O-N 3.11Å; Y266-I269 PolarHBondContact O-N 3.46Å; Y266-I269 VanDerWaalsContact O-N 3.1Å; I269-A271 VanDerWaalsContact C-N 3.29Å; I269-A271 PolarHBondContact O-N 2.93Å; I269-I272 WeakPolarHBondContact O-CG2 3.37Å; I269-I272 PolarHBondContact O-N 2.87Å; I269-Q273 HydrophobicContact CG2-CG 4.32Å; I269-Q273 VanDerWaalsContact O-CB 3.26Å; I269-Q273 WeakPolarHBondContact O-CB 3.33Å; I269-Q273 WeakPolarHBondContact O-CG 3.29Å; I269-Q273 PolarHBondContact O-N 3.38Å |
| 270 | I | 82.6 | Confident | 77.7 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 178 | 24.5 | 158.2 | 0 | 0 | 0 | 111.3 | Y266 K274 | Y266-I270 HydrophobicContact CD1-CD1 3.75Å; Y266-I270 HydrophobicContact CD1-CG1 4Å; Y266-I270 HydrophobicContact CE1-CD1 3.47Å; Y266-I270 VanDerWaalsContact CE1-CD1 3.47Å; Y266-I270 HydrophobicContact CE1-CG1 3.88Å; Y266-I270 HydrophobicContact CE1-CG2 4.36Å; Y266-I270 HydrophobicContact CE2-CG2 4.31Å; Y266-I270 HydrophobicContact CG-CG1 4.45Å; Y266-I270 WeakPolarHBondContact O-CG1 3.27Å; Y266-I270 PolarHBondContact O-N 2.81Å; I270-K274 WeakPolarHBondContact O-CB 3.49Å; I270-K274 PolarHBondContact O-N 2.78Å |
| 271 | A | 80.5 | Confident | 78.3 | Confident | 23 Ų | 23 | 68 Ų | 68 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L241 D267 D268 I269 K274 L275 | L241-A271 HydrophobicContact CD2-CB 3.73Å; D267-A271 VanDerWaalsContact O-CB 3.23Å; D267-A271 WeakPolarHBondContact O-CB 3.41Å; D267-A271 PolarHBondContact O-N 3.37Å; D267-A271 VanDerWaalsContact O-N 3.14Å; D268-A271 PolarHBondContact O-N 3.08Å; I269-A271 VanDerWaalsContact C-N 3.29Å; I269-A271 PolarHBondContact O-N 2.93Å; A271-K274 PolarHBondContact O-N 3.45Å; A271-L275 PolarHBondContact O-N 3.12Å |
| 272 | I | 84.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 178.9 | -164.7 | 73 | 0 | 0 | 0 | 112.1 | W161 A164 L167 L239 L241 D268 I269 K274 L275 Y276 | W161-I272 HydrophobicContact CE3-CB 3.87Å; W161-I272 HydrophobicContact CE3-CD1 3.96Å; W161-I272 HydrophobicContact CE3-CG1 3.8Å; W161-I272 HydrophobicContact CE3-CG2 4.06Å; W161-I272 HydrophobicContact CZ3-CB 3.88Å; W161-I272 HydrophobicContact CZ3-CD1 4.42Å; W161-I272 HydrophobicContact CZ3-CG1 4.3Å; W161-I272 HydrophobicContact CZ3-CG2 4.12Å; A164-I272 HydrophobicContact CB-CG2 4.12Å; L167-I272 HydrophobicContact CD1-CD1 4.19Å; L239-I272 HydrophobicContact CB-CD1 3.93Å; L239-I272 HydrophobicContact CD1-CD1 3.9Å; L241-I272 HydrophobicContact CD1-CB 4.25Å; L241-I272 HydrophobicContact CD1-CD1 3.96Å; L241-I272 HydrophobicContact CG-CD1 4.28Å; D268-I272 WeakPolarHBondContact O-CG2 3.36Å; D268-I272 PolarHBondContact O-N 3.24Å; I269-I272 WeakPolarHBondContact O-CG2 3.37Å; I269-I272 PolarHBondContact O-N 2.87Å; I272-K274 VanDerWaalsContact C-N 3.27Å; I272-K274 PolarHBondContact O-N 3.49Å; I272-L275 PolarHBondContact O-N 2.76Å; I272-Y276 HydrophobicContact CD1-CD2 3.58Å; I272-Y276 HydrophobicContact CD1-CE2 3.75Å; I272-Y276 HydrophobicContact CG1-CD2 4.07Å; I272-Y276 PolarHBondContact O-N 2.91Å |
| 273 | Q | 87.5 | Confident | 77 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.3 | -31.3 | 178.6 | -72.5 | 178.1 | -5.1 | 0 | 0 | 111.9 | A164 I269 L275 G277 V278 | A164-Q273 WeakPolarHBondContact O-CG 2.89Å; A164-Q273 PolarHBondContact O-NE2 3.42Å; I269-Q273 HydrophobicContact CG2-CG 4.32Å; I269-Q273 VanDerWaalsContact O-CB 3.26Å; I269-Q273 WeakPolarHBondContact O-CB 3.33Å; I269-Q273 WeakPolarHBondContact O-CG 3.29Å; I269-Q273 PolarHBondContact O-N 3.38Å; Q273-L275 PolarHBondContact O-N 3.4Å; Q273-G277 WeakPolarHBondContact O-CA 3.47Å; Q273-G277 PolarHBondContact O-N 2.98Å; Q273-V278 HydrophobicContact CG-CG2 4.25Å |
| 274 | K | 84.1 | Confident | 75.4 | Confident | 151 Ų | 151 | 62 Ų | 62 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.5 | -27.6 | 172.7 | -174 | 172.9 | 177.4 | -176.6 | 0 | 112.7 | I270 A271 I272 | I270-K274 WeakPolarHBondContact O-CB 3.49Å; I270-K274 PolarHBondContact O-N 2.78Å; A271-K274 PolarHBondContact O-N 3.45Å; I272-K274 VanDerWaalsContact C-N 3.27Å; I272-K274 PolarHBondContact O-N 3.49Å |
| 275 | L | 82.7 | Confident | 73.2 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -88.2 | -42.3 | 178.7 | -63.4 | -174.6 | 0 | 0 | 0 | 112.9 | Q71 T74 G240 L241 A271 I272 Q273 | Q71-L275 HydrophobicContact CG-CD2 4.01Å; Q71-L275 VanDerWaalsContact NE2-CD2 3.3Å; T74-L275 HydrophobicContact CG2-CB 4.21Å; T74-L275 HydrophobicContact CG2-CD1 4.25Å; T74-L275 HydrophobicContact CG2-CD2 3.67Å; T74-L275 HydrophobicContact CG2-CG 4.26Å; G240-L275 WeakPolarHBondContact O-CD1 3.41Å; L241-L275 HydrophobicContact CD2-CD1 3.67Å; L241-L275 HydrophobicContact CD2-CG 4.48Å; L241-L275 HydrophobicContact CG-CD1 4.44Å; A271-L275 PolarHBondContact O-N 3.12Å; I272-L275 PolarHBondContact O-N 2.76Å; Q273-L275 PolarHBondContact O-N 3.4Å |
| 276 | Y | 89.8 | Confident | 70.8 | Confident | 10 Ų | 10 | 66 Ų | 66 | 4% | 0.039 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -122.6 | -4.7 | -169.2 | -57.5 | -71 | 0 | 0 | 0 | 115 | W75 K78 D166 L167 L239 I272 | W75-Y276 HydrophobicContact CB-CE1 4.18Å; W75-Y276 PolarHBondContact N-OH 2.8Å; K78-Y276 VanDerWaalsContact CE-O 3.31Å; K78-Y276 WeakPolarHBondContact CE-O 3.39Å; K78-Y276 PolarHBondContact NZ-O 2.91Å; D166-Y276 WeakPolarHBondContact CB-O 3.35Å; L167-Y276 HydrophobicContact CD1-CD1 4.47Å; L167-Y276 HydrophobicContact CD1-CD2 3.55Å; L167-Y276 HydrophobicContact CD1-CE2 3.81Å; L167-Y276 HydrophobicContact CD1-CG 3.91Å; L167-Y276 HydrophobicContact CD2-CD1 3.52Å; L167-Y276 HydrophobicContact CD2-CD2 4.12Å; L167-Y276 HydrophobicContact CD2-CE1 3.93Å; L167-Y276 HydrophobicContact CD2-CE2 4.47Å; L167-Y276 HydrophobicContact CD2-CG 3.63Å; L167-Y276 HydrophobicContact CG-CD1 4.12Å; L167-Y276 HydrophobicContact CG-CD2 3.86Å; L167-Y276 HydrophobicContact CG-CE2 4.45Å; L167-Y276 HydrophobicContact CG-CG 3.66Å; L239-Y276 HydrophobicContact CB-CE2 4.25Å; L239-Y276 WeakPolarHBondContact O-CE2 3.38Å; L239-Y276 VanDerWaalsContact O-CZ 3.27Å; L239-Y276 PolarHBondContact O-OH 2.93Å; I272-Y276 HydrophobicContact CD1-CD2 3.58Å; I272-Y276 HydrophobicContact CD1-CE2 3.75Å; I272-Y276 HydrophobicContact CG1-CD2 4.07Å; I272-Y276 PolarHBondContact O-N 2.91Å |
| 277 | G | 88.2 | Confident | 68.4 | Low | 28 Ų | 28 | 65.5 Ų | 65.5 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | trans | 84.4 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S165 D166 Q273 | S165-G277 VanDerWaalsContact CA-O 3.25Å; S165-G277 WeakPolarHBondContact CA-O 3.36Å; D166-G277 PolarHBondContact N-O 3.25Å; Q273-G277 WeakPolarHBondContact O-CA 3.47Å; Q273-G277 PolarHBondContact O-N 2.98Å | ||
| 278 | V | 87.7 | Confident | 65.8 | Low | 77 Ų | 77 | 71.4 Ų | 71.4 | 47% | 0.467 | 42% | 0.424 | S | S | . | . | trans | -83.1 | 134.8 | -179.4 | -175 | 0 | 0 | 0 | 0 | 109.9 | Q273 | Q273-V278 HydrophobicContact CG-CG2 4.25Š| ||
| 279 | G | 72 | Confident | 63.4 | Low | 8 Ų | 8 | 76.7 Ų | 76.7 | 8% | 0.082 | 46% | 0.456 | C | S | . | . | trans | -70.3 | 165.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S165 R281 G282 | S165-G279 VanDerWaalsContact C-CA 3.43Å; S165-G279 WeakPolarHBondContact O-CA 3.3Å; G279-R281 PolarHBondContact O-N 2.6Å; G279-R281 VanDerWaalsContact O-N 3.08Å; G279-G282 PolarHBondContact O-N 2.97Å | ||
| 280 | P | 65.1 | Low | 60.8 | Low | 123 Ų | 123 | 79.8 Ų | 79.8 | 80% | 0.799 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.5 | -174.8 | 22 | -30.9 | 0 | 0 | 0 | 114.8 | G282 | P280-G282 VanDerWaalsContact C-N 3.3Š|
| 281 | R | 58.9 | Low | 58.3 | Low | 194 Ų | 194 | 83.6 Ų | 83.6 | 73% | 0.732 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -2.2 | 174.2 | -78.4 | -174.2 | 178.9 | 168 | 3 | 114.4 | E163 G279 | E163-R281 IonicContact OE1-NH1 2.74Å; E163-R281 PolarHBondContact OE1-NH1 2.63Å; E163-R281 VanDerWaalsContact OE1-NH1 3.13Å; G279-R281 PolarHBondContact O-N 2.6Å; G279-R281 VanDerWaalsContact O-N 3.08Å |
| 282 | G | 48.3 | Very low | 55.8 | Low | 44 Ų | 44 | 86.6 Ų | 86.6 | 45% | 0.454 | 53% | 0.526 | S | S | . | . | trans | 45.2 | 71.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G279 P280 P284 | G279-G282 PolarHBondContact O-N 2.97Å; P280-G282 VanDerWaalsContact C-N 3.3Å; G282-P284 WeakPolarHBondContact O-CD 3.32Å | ||
| 283 | T | 47.2 | Very low | 53.1 | Low | 85 Ų | 85 | 92.6 Ų | 92.6 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | trans | -71.1 | 115.4 | 166.5 | 5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 284 | P | 38.7 | Very low | 50.3 | Low | 116 Ų | 116 | 99.2 Ų | 99.2 | 75% | 0.753 | 60% | 0.599 | S | S | * | * | trans | -69.8 | 151.7 | 179 | -12.6 | 29 | 0 | 0 | 0 | 110.7 | G282 A286 | G282-P284 WeakPolarHBondContact O-CD 3.32Å; P284-A286 PolarHBondContact O-N 3.25Å | ||
| 285 | A | 30.9 | Very low | 47.8 | Very low | 96 Ų | 96 | 95.6 Ų | 95.6 | 79% | 0.793 | 60% | 0.597 | S | S | * | * | trans | -34.8 | 128.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | T287 | A285-T287 PolarHBondContact O-N 2.87Š| ||
| 286 | A | 34.1 | Very low | 45.3 | Very low | 62 Ų | 62 | 100 Ų | 100 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | trans | -46.1 | 127.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y266 P284 D288 | Y266-A286 HydrophobicContact CD2-CB 3.82Å; Y266-A286 HydrophobicContact CE2-CB 3.78Å; P284-A286 PolarHBondContact O-N 3.25Å; A286-D288 PolarHBondContact O-N 3.49Å | ||
| 287 | T | 29.6 | Very low | 42.4 | Very low | 122 Ų | 122 | 103.1 Ų | 103.1 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | trans | -42.8 | 132.5 | 172 | 34.1 | 0 | 0 | 0 | 0 | 111.9 | A285 V289 | A285-T287 PolarHBondContact O-N 2.87Å; T287-V289 PolarHBondContact O-N 3.17Å | ||
| 288 | D | 27.8 | Very low | 39.7 | Very low | 169 Ų | 169 | 111.4 Ų | 111.4 | 90% | 0.904 | 68% | 0.684 | S | S | * | * | trans | -38.2 | 95.4 | 164.9 | -145.7 | 1 | 0 | 0 | 0 | 111.3 | A286 | A286-D288 PolarHBondContact O-N 3.49Š| ||
| 289 | V | 30.1 | Very low | 37.2 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 68% | 0.679 | 70% | 0.697 | S | S | * | * | trans | -103.7 | 98.2 | 168.3 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | T287 I291 | T287-V289 PolarHBondContact O-N 3.17Å; V289-I291 HydrophobicContact CG1-CG1 4.4Å; V289-I291 PolarHBondContact O-N 2.93Å; V289-I291 VanDerWaalsContact O-N 3.09Å | ||
| 290 | S | 26.2 | Very low | 35.2 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | -55.5 | 111.6 | 166.2 | 66.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 291 | I | 29.6 | Very low | 33.9 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -98.8 | 104.2 | 157.9 | -61.7 | -177.2 | 0 | 0 | 0 | 106.2 | V289 T293 | V289-I291 HydrophobicContact CG1-CG1 4.4Å; V289-I291 PolarHBondContact O-N 2.93Å; V289-I291 VanDerWaalsContact O-N 3.09Å; I291-T293 PolarHBondContact O-N 3.38Å | ||
| 292 | A | 28.1 | Very low | 32.7 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -51.2 | 119.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L294 | A292-L294 PolarHBondContact O-N 2.67Š| ||
| 293 | T | 29.2 | Very low | 32 | Very low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -53.4 | 113.5 | 166 | -48.2 | 0 | 0 | 0 | 0 | 110.6 | I291 A295 | I291-T293 PolarHBondContact O-N 3.38Å; T293-A295 HydrophobicContact CG2-CB 4.09Å | ||
| 294 | L | 29 | Very low | 31.4 | Very low | 180 Ų | 180 | 128 Ų | 128 | 94% | 0.942 | 76% | 0.76 | S | S | * | * | trans | -101.2 | 86.5 | 155.8 | -82.9 | 165.1 | 0 | 0 | 0 | 107.5 | A292 | A292-L294 PolarHBondContact O-N 2.67Š| ||
| 295 | A | 30.8 | Very low | 31.1 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | trans | -122.9 | 122.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | T293 | T293-A295 HydrophobicContact CG2-CB 4.09Š| ||
| 296 | P | 30.5 | Very low | 31.5 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -72.1 | 136.1 | 176.7 | 1.9 | 12.9 | 0 | 0 | 0 | 110 | ||||
| 297 | A | 28.2 | Very low | 31.3 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | trans | -62.3 | 140.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 298 | F | 32.3 | Very low | 31.4 | Very low | 203 Ų | 203 | 133.4 Ų | 133.4 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -145.3 | 85.3 | 147 | -95.5 | -76.9 | 0 | 0 | 0 | 108.3 | ||||
| 299 | D | 34.3 | Very low | 31.7 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | 27.6 | 121.8 | 135.8 | -51.3 | -17.2 | 0 | 0 | 0 | 119.5 | ||||
| 300 | N | 30.9 | Very low | 31.9 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -44.3 | 142.1 | 160.2 | -74.3 | -28.6 | 0 | 0 | 0 | 112.8 | ||||
| 301 | E | 38 | Very low | 32.4 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -150 | 130.8 | 126 | -112.6 | 171.6 | -167.4 | 0 | 0 | 110.5 | |||||
| 302 | T | 32.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -67.7 | 139.7 | 172.8 | 43.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 303 | D | 34.7 | Very low | 34.2 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | -174.8 | 134.5 | 124.3 | -110.2 | -8.1 | 0 | 0 | 0 | 112.7 | |||||
| 304 | D | 33.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | trans | 56.5 | 114.7 | 136.4 | -68.9 | -11.3 | 0 | 0 | 0 | 122 | ||||
| 305 | D | 31.6 | Very low | 37 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | 38 | 103.5 | 122.9 | -72.5 | -21.7 | 0 | 0 | 0 | 117.7 | |||||
| 306 | L | 40.1 | Very low | 39.3 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 90% | 0.895 | 74% | 0.742 | S | S | * | * | -165.4 | 118.1 | 123.8 | -133.2 | 67.2 | 0 | 0 | 0 | 112.6 | |||||
| 307 | A | 29.4 | Very low | 41.7 | Very low | 95 Ų | 95 | 124.3 Ų | 124.3 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -60.6 | 137.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 308 | S | 32.5 | Very low | 44.2 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | 169.5 | 102 | 137.2 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 309 | T | 32.9 | Very low | 46.3 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | trans | 10.4 | 116.1 | 132.1 | 54.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 310 | T | 36 | Very low | 48.2 | Very low | 136 Ų | 136 | 109.8 Ų | 109.8 | 83% | 0.834 | 63% | 0.63 | S | S | * | * | trans | -158.5 | 116.8 | 139 | 26.7 | 0 | 0 | 0 | 0 | 108.9 | E312 | T310-E312 PolarHBondContact O-N 3.39Å; T310-E312 VanDerWaalsContact O-N 3.08Å | ||
| 311 | D | 36.7 | Very low | 50.3 | Low | 169 Ų | 169 | 108.7 Ų | 108.7 | 90% | 0.904 | 62% | 0.619 | S | S | * | * | trans | -66.3 | 98.1 | 173.3 | -88.6 | -55.3 | 0 | 0 | 0 | 110 | ||||
| 312 | E | 43.5 | Very low | 52.2 | Low | 129 Ų | 129 | 101.5 Ų | 101.5 | 60% | 0.603 | 59% | 0.589 | S | S | * | * | trans | -76.4 | 119.2 | 163.8 | -106.4 | -85.5 | 156.6 | 0 | 0 | 108.2 | T310 N314 A315 | T310-E312 PolarHBondContact O-N 3.39Å; T310-E312 VanDerWaalsContact O-N 3.08Å; E312-N314 PolarHBondContact O-N 2.87Å; E312-A315 HydrophobicContact CB-CB 4.01Å; E312-A315 PolarHBondContact O-N 3.23Å | ||
| 313 | P | 51.6 | Low | 54.5 | Low | 105 Ų | 105 | 101.2 Ų | 101.2 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -14.5 | -171.8 | 21.6 | -31.6 | 0 | 0 | 0 | 114.4 | ||
| 314 | N | 51.8 | Low | 56.8 | Low | 144 Ų | 144 | 95.1 Ų | 95.1 | 77% | 0.77 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 6.9 | 179 | -67.4 | -35.9 | 0 | 0 | 0 | 114.1 | E312 | E312-N314 PolarHBondContact O-N 2.87Š|
| 315 | A | 64.9 | Low | 59.3 | Low | 54 Ų | 54 | 91 Ų | 91 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -73.9 | 136.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E312 | E312-A315 HydrophobicContact CB-CB 4.01Å; E312-A315 PolarHBondContact O-N 3.23Å |
| 316 | V | 78.1 | Confident | 62 | Low | 70 Ų | 70 | 84.1 Ų | 84.1 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 127.8 | 174 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | Y341 P355 | V316-Y341 HydrophobicContact CG1-CD1 4.32Å; V316-Y341 HydrophobicContact CG1-CD2 4.22Å; V316-Y341 HydrophobicContact CG1-CE1 4.36Å; V316-Y341 HydrophobicContact CG1-CE2 4.24Å; V316-Y341 HydrophobicContact CG1-CG 4.25Å; V316-Y341 HydrophobicContact CG2-CE1 4.36Å; V316-Y341 HydrophobicContact CG2-CE2 4.41Å; V316-P355 HydrophobicContact CG1-CB 3.67Å; V316-P355 HydrophobicContact CG1-CG 3.34Å |
| 317 | P | 82.1 | Confident | 64.3 | Low | 11 Ų | 11 | 76.6 Ų | 76.6 | 7% | 0.071 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 143.7 | -175.8 | -15.5 | 26.6 | 0 | 0 | 0 | 111 | P319 T322 K338 K339 Y341 W343 | P317-P319 WeakPolarHBondContact O-CD 3.3Å; P317-T322 HydrophobicContact CB-CG2 4.1Å; P317-K338 HydrophobicContact CB-CG 3.96Å; P317-K338 HydrophobicContact CG-CB 4.41Å; P317-K338 HydrophobicContact CG-CG 3.92Å; P317-K339 HydrophobicContact CG-CD 4.01Å; P317-K339 HydrophobicContact CG-CG 4.37Å; P317-Y341 VanDerWaalsContact CD-CD2 3.49Å; P317-Y341 HydrophobicContact CG-CD2 4.22Å; P317-W343 HydrophobicContact CB-CH2 3.96Å; P317-W343 HydrophobicContact CB-CZ2 4.45Å; P317-W343 HydrophobicContact CG-CH2 4.08Å; P317-W343 WeakPolarHBondContact O-CZ2 3.47Å |
| 318 | D | 80.3 | Confident | 67 | Low | 73 Ų | 73 | 72.3 Ų | 72.3 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | trans | -85.6 | 113.7 | 167 | -178.3 | -9.4 | 0 | 0 | 0 | 108.7 | C320 H321 T322 | D318-C320 PolarHBondContact O-N 3.12Å; D318-C320 VanDerWaalsContact O-N 3.12Å; D318-C320 WeakPolarHBondContact OD1-CB 3.21Å; D318-C320 PolarHBondContact OD1-N 3.47Å; D318-H321 HydrophobicContact CB-CB 4.37Å; D318-H321 PolarHBondContact O-N 3.4Å; D318-H321 IonicContact OD1-ND1 3.98Å; D318-H321 IonicContact OD2-CE1 3.59Å; D318-H321 IonicContact OD2-CG 3.75Å; D318-H321 IonicContact OD2-ND1 2.72Å; D318-H321 PolarHBondContact OD2-ND1 3.37Å; D318-T322 WeakPolarHBondContact O-CB 3.14Å; D318-T322 WeakPolarHBondContact O-CG2 3.18Å; D318-T322 PolarHBondContact O-N 2.79Å; D318-T322 PolarHBondContact O-OG1 2.82Å | ||
| 319 | P | 76 | Confident | 69.3 | Low | 7 Ų | 7 | 69.2 Ų | 69.2 | 5% | 0.045 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.2 | -178.1 | 29.1 | -38.1 | 0 | 0 | 0 | 112.8 | P317 I324 W343 L351 A488 | P317-P319 WeakPolarHBondContact O-CD 3.3Å; P319-I324 HydrophobicContact CB-CD1 4.3Å; P319-W343 HydrophobicContact CB-CD2 3.88Å; P319-W343 HydrophobicContact CB-CE3 4.15Å; P319-W343 HydrophobicContact CB-CG 4.28Å; P319-W343 HydrophobicContact CB-CZ2 4.41Å; P319-W343 HydrophobicContact CG-CD2 4.03Å; P319-W343 HydrophobicContact CG-CG 4.15Å; P319-W343 HydrophobicContact CG-CZ2 4.37Å; P319-L351 HydrophobicContact CB-CD2 4.47Å; P319-L351 HydrophobicContact CG-CD1 3.6Å; P319-L351 HydrophobicContact CG-CD2 4.03Å; P319-L351 HydrophobicContact CG-CG 4.47Å; P319-A488 CarbonylContact C-O 3.56Å; P319-A488 HydrophobicContact CB-CB 3.98Å; P319-A488 WeakPolarHBondContact CB-O 3.37Å; P319-A488 PolarHBondContact O-N 2.9Å |
| 320 | C | 75.5 | Confident | 71.7 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -23.3 | 177.6 | -87.6 | 0 | 0 | 0 | 0 | 114.4 | D318 K487 C489 | D318-C320 PolarHBondContact O-N 3.12Å; D318-C320 VanDerWaalsContact O-N 3.12Å; D318-C320 WeakPolarHBondContact OD1-CB 3.21Å; D318-C320 PolarHBondContact OD1-N 3.47Å; C320-K487 WeakPolarHBondContact O-CD 3.26Å; C320-C489 WeakPolarHBondContact CA-SG 3.32Å; C320-C489 HydrophobicContact CB-CB 4.4Å; C320-C489 WeakPolarHBondContact CB-SG 3.48Å; C320-C489 WeakPolarHBondContact SG-CB 3.48Å; C320-C489 CovalentContact SG-SG 2.02Å; C320-C489 PolarHBondContact SG-SG 3.28Å |
| 321 | H | 75 | Confident | 73.6 | Confident | 137 Ų | 137 | 60.1 Ų | 60.1 | 63% | 0.634 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | -5.7 | -174.1 | -62.7 | 100.7 | 0 | 0 | 0 | 113.2 | D318 | D318-H321 HydrophobicContact CB-CB 4.37Å; D318-H321 PolarHBondContact O-N 3.4Å; D318-H321 IonicContact OD1-ND1 3.98Å; D318-H321 IonicContact OD2-CE1 3.59Å; D318-H321 IonicContact OD2-CG 3.75Å; D318-H321 IonicContact OD2-ND1 2.72Å; D318-H321 PolarHBondContact OD2-ND1 3.37Å |
| 322 | T | 76.6 | Confident | 75.2 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -113.1 | 146.4 | 177.5 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | P317 D318 | P317-T322 HydrophobicContact CB-CG2 4.1Å; D318-T322 WeakPolarHBondContact O-CB 3.14Å; D318-T322 WeakPolarHBondContact O-CG2 3.18Å; D318-T322 PolarHBondContact O-N 2.79Å; D318-T322 PolarHBondContact O-OG1 2.82Å |
| 323 | E | 80.9 | Confident | 76.7 | Confident | 115 Ų | 115 | 49.6 Ų | 49.6 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | trans | -73.2 | 134.2 | 175.7 | -57.6 | -175.4 | 157.2 | 0 | 0 | 109.6 | K338 I486 | E323-K338 WeakPolarHBondContact O-CD 3.05Å; E323-K338 WeakPolarHBondContact O-CE 3.24Å; E323-K338 PolarHBondContact O-NZ 3.38Å; E323-I486 WeakPolarHBondContact CA-O 3.5Å | ||
| 324 | I | 84.5 | Confident | 78.2 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | trans | -82.2 | 138.9 | -179 | -58.5 | -56.1 | 0 | 0 | 0 | 110.2 | P319 A326 L327 A336 F337 K338 I486 A488 | P319-I324 HydrophobicContact CB-CD1 4.3Å; I324-A326 WeakPolarHBondContact CG2-O 3.36Å; I324-L327 HydrophobicContact CG2-CB 4.46Å; I324-A336 HydrophobicContact CD1-CB 4.16Å; I324-A336 HydrophobicContact CG1-CB 4.24Å; I324-A336 HydrophobicContact CG2-CB 3.88Å; I324-F337 WeakPolarHBondContact CG2-O 3.36Å; I324-K338 HydrophobicContact CD1-CB 4.35Å; I324-I486 WeakPolarHBondContact CG1-O 3.49Å; I324-I486 PolarHBondContact N-O 2.9Å; I324-A488 HydrophobicContact CD1-CB 4.09Å; I324-A488 HydrophobicContact CG1-CB 4.03Å | ||
| 325 | D | 86.2 | Confident | 79.9 | Confident | 41 Ų | 41 | 39.1 Ų | 39.1 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -76.6 | -42.3 | -179.7 | -59.6 | -28.6 | 0 | 0 | 0 | 111.6 | F337 K338 K339 H371 | D325-F337 WeakPolarHBondContact CB-O 3.49Å; D325-F337 PolarHBondContact N-O 2.56Å; D325-K338 VanDerWaalsContact CG-CD 3.44Å; D325-K338 WeakPolarHBondContact OD1-CD 3.33Å; D325-K338 WeakPolarHBondContact OD1-CE 3.5Å; D325-K338 IonicContact OD1-NZ 3.44Å; D325-K338 PolarHBondContact OD1-NZ 3.41Å; D325-K338 WeakPolarHBondContact OD2-CA 2.99Å; D325-K338 WeakPolarHBondContact OD2-CD 3.11Å; D325-K339 PolarHBondContact OD2-N 3.03Å; D325-H371 HydrophobicContact CB-CB 4.41Å; D325-H371 WeakPolarHBondContact OD2-CB 3.39Å |
| 326 | A | 87.5 | Confident | 81.1 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 146.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I324 F337 I372 | I324-A326 WeakPolarHBondContact CG2-O 3.36Å; A326-F337 HydrophobicContact CB-CB 4.3Å; A326-F337 HydrophobicContact CB-CD2 4.36Å; A326-F337 PolarHBondContact N-O 2.96Å; A326-F337 WeakPolarHBondContact O-CD2 3.35Å; A326-F337 PolarHBondContact O-N 3.07Å; A326-I372 HydrophobicContact CB-CB 4.44Å; A326-I372 HydrophobicContact CB-CG2 4.18Å; A326-I372 WeakPolarHBondContact CB-O 3.17Å |
| 327 | L | 87.9 | Confident | 81.7 | Confident | 13 Ų | 13 | 33.2 Ų | 33.2 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.6 | 175.8 | -165.5 | 161.8 | 0 | 0 | 0 | 108.9 | I324 I334 F335 F472 I486 | I324-L327 HydrophobicContact CG2-CB 4.46Å; L327-I334 HydrophobicContact CD1-CG2 4.38Å; L327-I334 HydrophobicContact CD2-CG2 3.55Å; L327-I334 HydrophobicContact CG-CG2 3.99Å; L327-F335 WeakPolarHBondContact CA-O 3.41Å; L327-F472 HydrophobicContact CD2-CD1 3.36Å; L327-F472 HydrophobicContact CD2-CE1 3.17Å; L327-F472 HydrophobicContact CD2-CG 4.14Å; L327-F472 HydrophobicContact CD2-CZ 3.83Å; L327-F472 HydrophobicContact CG-CE1 4.45Å; L327-I486 HydrophobicContact CD1-CG2 3.95Å |
| 328 | S | 86.6 | Confident | 82 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.7 | -177.8 | -165.1 | 0 | 0 | 0 | 0 | 111.9 | F335 V375 | S328-F335 PolarHBondContact N-O 3.22Å; S328-F335 PolarHBondContact O-N 2.94Å; S328-V375 WeakPolarHBondContact CB-O 3.32Å; S328-V375 PolarHBondContact OG-O 2.88Å |
| 329 | R | 81.5 | Confident | 82.5 | Confident | 31 Ų | 31 | 34.9 Ų | 34.9 | 12% | 0.117 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.9 | 170.4 | -168 | -174.7 | 63 | -139.4 | -24.7 | 109 | E333 F472 T473 D474 N475 | R329-E333 VanDerWaalsContact CA-O 3.3Å; R329-E333 WeakPolarHBondContact CA-O 3.39Å; R329-E333 VanDerWaalsContact CG-O 3.32Å; R329-E333 WeakPolarHBondContact CG-O 3.37Å; R329-F472 HydrophobicContact CB-CD2 4.4Å; R329-T473 PolarHBondContact NH1-O 2.78Å; R329-T473 PolarHBondContact NH2-O 3Å; R329-D474 PolarHBondContact NH1-O 3.07Å; R329-N475 WeakPolarHBondContact CD-OD1 3.48Å; R329-N475 PolarHBondContact NH1-OD1 3.38Å |
| 330 | I | 82.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.9 | 178.8 | -46.5 | 170.8 | 0 | 0 | 0 | 106 | N332 E333 F335 F337 W362 V375 T384 F386 | I330-N332 PolarHBondContact O-N 3.33Å; I330-N332 VanDerWaalsContact O-N 3.12Å; I330-E333 PolarHBondContact N-O 2.94Å; I330-E333 PolarHBondContact O-N 2.92Å; I330-E333 VanDerWaalsContact O-N 3.1Å; I330-E333 VanDerWaalsContact O-O 3.12Å; I330-F335 HydrophobicContact CB-CD2 3.83Å; I330-F335 HydrophobicContact CB-CE2 3.92Å; I330-F335 HydrophobicContact CB-CG 4.45Å; I330-F335 HydrophobicContact CD1-CB 4.03Å; I330-F335 HydrophobicContact CD1-CD1 4.2Å; I330-F335 HydrophobicContact CD1-CD2 4.15Å; I330-F335 HydrophobicContact CD1-CG 3.89Å; I330-F335 HydrophobicContact CG1-CD2 4.15Å; I330-F335 HydrophobicContact CG1-CG 4.35Å; I330-F335 WeakPolarHBondContact O-CE2 3.42Å; I330-F337 HydrophobicContact CD1-CE2 4.15Å; I330-F337 HydrophobicContact CD1-CZ 3.85Å; I330-W362 HydrophobicContact CD1-CZ2 4.21Å; I330-W362 HydrophobicContact CG2-CH2 4.19Å; I330-V375 HydrophobicContact CD1-CG1 3.81Å; I330-V375 HydrophobicContact CG1-CG1 4.33Å; I330-T384 HydrophobicContact CD1-CG2 3.95Å; I330-T384 HydrophobicContact CG1-CG2 4.27Å; I330-T384 HydrophobicContact CG2-CG2 4.07Å; I330-T384 WeakPolarHBondContact CG2-OG1 3.48Å; I330-F386 HydrophobicContact CD1-CZ 4.48Å |
| 331 | R | 75.7 | Confident | 83.8 | Confident | 72 Ų | 72 | 38.8 Ų | 38.8 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 30.7 | 179.1 | -23.5 | -154.4 | 140.2 | -164.7 | -37.5 | 116.2 | R64 E333 E377 D382 A397 | R64-R331 VanDerWaalsContact NH1-CG 3.26Å; R64-R331 VanDerWaalsContact NH2-CD 3.25Å; R331-E333 PolarHBondContact O-N 2.64Å; R331-E377 PolarHBondContact N-OE1 2.63Å; R331-D382 IonicContact CZ-OD1 3.42Å; R331-D382 IonicContact NE-OD1 2.76Å; R331-D382 IonicContact NH2-OD1 3.4Å; R331-D382 PolarHBondContact NH2-OD1 2.89Å; R331-D382 IonicContact NH2-OD2 2.89Å; R331-D382 PolarHBondContact NH2-OD2 3.02Å; R331-A397 VanDerWaalsContact NH2-CB 3.35Å |
| 332 | N | 71.7 | Confident | 84.6 | Confident | 28 Ų | 28 | 32.3 Ų | 32.3 | 15% | 0.15 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 14.6 | -179.9 | -154.1 | 48.8 | 0 | 0 | 0 | 114.9 | I330 Q347 N475 | I330-N332 PolarHBondContact O-N 3.33Å; I330-N332 VanDerWaalsContact O-N 3.12Å; N332-Q347 PolarHBondContact ND2-NE2 2.91Å; N332-N475 PolarHBondContact OD1-OD1 3.07Å |
| 333 | E | 74.7 | Confident | 85.2 | Confident | 49 Ų | 49 | 30.5 Ų | 30.5 | 23% | 0.229 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 154.9 | 169.2 | -59.5 | 175.9 | 109.3 | 0 | 0 | 108.8 | R329 I330 R331 F335 R344 | R329-E333 VanDerWaalsContact CA-O 3.3Å; R329-E333 WeakPolarHBondContact CA-O 3.39Å; R329-E333 VanDerWaalsContact CG-O 3.32Å; R329-E333 WeakPolarHBondContact CG-O 3.37Å; I330-E333 PolarHBondContact N-O 2.94Å; I330-E333 PolarHBondContact O-N 2.92Å; I330-E333 VanDerWaalsContact O-N 3.1Å; I330-E333 VanDerWaalsContact O-O 3.12Å; R331-E333 PolarHBondContact O-N 2.64Å; E333-F335 HydrophobicContact CB-CD2 4.29Å; E333-F335 HydrophobicContact CB-CE2 3.86Å; E333-R344 IonicContact OE1-CZ 3.71Å; E333-R344 IonicContact OE1-NE 3.5Å; E333-R344 PolarHBondContact OE1-NE 3.1Å; E333-R344 IonicContact OE1-NH2 3.75Å; E333-R344 PolarHBondContact OE1-NH2 3.3Å; E333-R344 IonicContact OE2-CZ 2.79Å; E333-R344 IonicContact OE2-NE 3.29Å; E333-R344 PolarHBondContact OE2-NE 3.33Å; E333-R344 IonicContact OE2-NH2 3.01Å; E333-R344 PolarHBondContact OE2-NH2 3.26Å |
| 334 | I | 82.6 | Confident | 85.4 | Confident | 24 Ų | 24 | 27.5 Ų | 27.5 | 12% | 0.123 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.6 | 177.1 | -66.6 | 170.2 | 0 | 0 | 0 | 107.6 | L327 L345 F472 | L327-I334 HydrophobicContact CD1-CG2 4.38Å; L327-I334 HydrophobicContact CD2-CG2 3.55Å; L327-I334 HydrophobicContact CG-CG2 3.99Å; I334-L345 HydrophobicContact CB-CB 3.98Å; I334-L345 HydrophobicContact CG2-CB 4.2Å; I334-L345 HydrophobicContact CG2-CD1 4.49Å; I334-L345 HydrophobicContact CG2-CD2 4.29Å; I334-L345 PolarHBondContact N-O 3.2Å; I334-L345 PolarHBondContact O-N 3.41Å; I334-F472 HydrophobicContact CD1-CE2 4.11Å; I334-F472 HydrophobicContact CD1-CZ 4.25Å; I334-F472 HydrophobicContact CG1-CE2 4.38Å |
| 335 | F | 88.3 | Confident | 85.3 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.5 | 175.5 | -75.4 | -116.6 | 0 | 0 | 0 | 108.1 | L327 S328 I330 E333 F337 F342 W343 R344 | L327-F335 WeakPolarHBondContact CA-O 3.41Å; S328-F335 PolarHBondContact N-O 3.22Å; S328-F335 PolarHBondContact O-N 2.94Å; I330-F335 HydrophobicContact CB-CD2 3.83Å; I330-F335 HydrophobicContact CB-CE2 3.92Å; I330-F335 HydrophobicContact CB-CG 4.45Å; I330-F335 HydrophobicContact CD1-CB 4.03Å; I330-F335 HydrophobicContact CD1-CD1 4.2Å; I330-F335 HydrophobicContact CD1-CD2 4.15Å; I330-F335 HydrophobicContact CD1-CG 3.89Å; I330-F335 HydrophobicContact CG1-CD2 4.15Å; I330-F335 HydrophobicContact CG1-CG 4.35Å; I330-F335 WeakPolarHBondContact O-CE2 3.42Å; E333-F335 HydrophobicContact CB-CD2 4.29Å; E333-F335 HydrophobicContact CB-CE2 3.86Å; F335-F337 HydrophobicContact CB-CD2 4.32Å; F335-F337 HydrophobicContact CB-CE2 3.45Å; F335-F337 VanDerWaalsContact CB-CE2 3.45Å; F335-F337 HydrophobicContact CB-CZ 3.71Å; F335-F337 HydrophobicContact CD1-CZ 4.11Å; F335-F337 HydrophobicContact CG-CE2 4.49Å; F335-F337 HydrophobicContact CG-CZ 4.32Å; F335-F342 AromaticContact CD1-CD2 3.46Å; F335-F342 HydrophobicContact CD1-CD2 3.46Å; F335-F342 VanDerWaalsContact CD1-CD2 3.46Å; F335-F342 AromaticContact CD1-CE2 3.63Å; F335-F342 HydrophobicContact CD1-CE2 3.63Å; F335-F342 HydrophobicContact CD1-CG 4.44Å; F335-F342 AromaticContact CE1-CD2 3.83Å; F335-F342 HydrophobicContact CE1-CD2 3.83Å; F335-F342 AromaticContact CE1-CE2 3.45Å; F335-F342 HydrophobicContact CE1-CE2 3.45Å; F335-F342 VanDerWaalsContact CE1-CE2 3.45Å; F335-F342 HydrophobicContact CE1-CZ 4.37Å; F335-W343 WeakPolarHBondContact CA-O 3.27Å; F335-R344 HydrophobicContact CD1-CG 4.03Å; F335-R344 HydrophobicContact CE1-CG 3.63Å; F335-R344 HydrophobicContact CE2-CG 4.16Å; F335-R344 HydrophobicContact CG-CG 4.45Å; F335-R344 HydrophobicContact CZ-CG 3.69Å |
| 336 | A | 88.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128 | 172 | 0 | 0 | 0 | 0 | 0 | 108.5 | I324 F342 W343 L345 A488 | I324-A336 HydrophobicContact CD1-CB 4.16Å; I324-A336 HydrophobicContact CG1-CB 4.24Å; I324-A336 HydrophobicContact CG2-CB 3.88Å; A336-F342 CarbonylContact O-C 3.55Å; A336-F342 WeakPolarHBondContact O-CA 3.16Å; A336-F342 WeakPolarHBondContact O-CB 3.34Å; A336-W343 PolarHBondContact N-O 2.8Å; A336-W343 PolarHBondContact O-N 2.79Å; A336-L345 HydrophobicContact CB-CD1 3.81Å; A336-A488 HydrophobicContact CB-CB 3.9Å |
| 337 | F | 91 | Very high | 83.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.9 | -176.6 | -62.9 | -91.4 | 0 | 0 | 0 | 110.2 | I324 D325 A326 I330 F335 F342 I358 I372 V375 F386 | I324-F337 WeakPolarHBondContact CG2-O 3.36Å; D325-F337 WeakPolarHBondContact CB-O 3.49Å; D325-F337 PolarHBondContact N-O 2.56Å; A326-F337 HydrophobicContact CB-CB 4.3Å; A326-F337 HydrophobicContact CB-CD2 4.36Å; A326-F337 PolarHBondContact N-O 2.96Å; A326-F337 WeakPolarHBondContact O-CD2 3.35Å; A326-F337 PolarHBondContact O-N 3.07Å; I330-F337 HydrophobicContact CD1-CE2 4.15Å; I330-F337 HydrophobicContact CD1-CZ 3.85Å; F335-F337 HydrophobicContact CB-CD2 4.32Å; F335-F337 HydrophobicContact CB-CE2 3.45Å; F335-F337 VanDerWaalsContact CB-CE2 3.45Å; F335-F337 HydrophobicContact CB-CZ 3.71Å; F335-F337 HydrophobicContact CD1-CZ 4.11Å; F335-F337 HydrophobicContact CG-CE2 4.49Å; F335-F337 HydrophobicContact CG-CZ 4.32Å; F337-F342 HydrophobicContact CD1-CB 3.49Å; F337-F342 VanDerWaalsContact CD1-CB 3.49Å; F337-F342 HydrophobicContact CD1-CG 4.34Å; F337-F342 HydrophobicContact CE1-CB 3.68Å; F337-F342 HydrophobicContact CE1-CG 4.07Å; F337-F342 HydrophobicContact CG-CB 4.15Å; F337-F342 HydrophobicContact CZ-CB 4.48Å; F337-I358 HydrophobicContact CD1-CD1 3.87Å; F337-I358 HydrophobicContact CD1-CG1 4.14Å; F337-I372 HydrophobicContact CB-CB 4.38Å; F337-I372 HydrophobicContact CD1-CG1 4.23Å; F337-V375 HydrophobicContact CD2-CG2 4.21Å; F337-V375 HydrophobicContact CE2-CB 4.42Å; F337-V375 HydrophobicContact CE2-CG2 3.96Å; F337-V375 HydrophobicContact CZ-CG2 4.34Å; F337-F386 AromaticContact CE1-CE1 3.81Å; F337-F386 HydrophobicContact CE1-CE1 3.81Å; F337-F386 AromaticContact CZ-CE1 3.79Å; F337-F386 HydrophobicContact CZ-CE1 3.79Å; F337-F386 HydrophobicContact CZ-CZ 4.35Å |
| 338 | K | 89.3 | Confident | 82.7 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 16% | 0.161 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127.1 | 172.5 | -173.6 | 50.7 | 166.9 | -162.4 | 0 | 110.2 | P317 E323 I324 D325 Q340 Y341 W343 | P317-K338 HydrophobicContact CB-CG 3.96Å; P317-K338 HydrophobicContact CG-CB 4.41Å; P317-K338 HydrophobicContact CG-CG 3.92Å; E323-K338 WeakPolarHBondContact O-CD 3.05Å; E323-K338 WeakPolarHBondContact O-CE 3.24Å; E323-K338 PolarHBondContact O-NZ 3.38Å; I324-K338 HydrophobicContact CD1-CB 4.35Å; D325-K338 VanDerWaalsContact CG-CD 3.44Å; D325-K338 WeakPolarHBondContact OD1-CD 3.33Å; D325-K338 WeakPolarHBondContact OD1-CE 3.5Å; D325-K338 IonicContact OD1-NZ 3.44Å; D325-K338 PolarHBondContact OD1-NZ 3.41Å; D325-K338 WeakPolarHBondContact OD2-CA 2.99Å; D325-K338 WeakPolarHBondContact OD2-CD 3.11Å; K338-Q340 PolarHBondContact O-N 3.34Å; K338-Y341 PolarHBondContact N-O 2.68Å; K338-Y341 WeakPolarHBondContact O-CA 3.44Å; K338-Y341 PolarHBondContact O-N 3.4Å; K338-Y341 VanDerWaalsContact O-O 3.09Å; K338-W343 HydrophobicContact CB-CH2 3.97Å; K338-W343 HydrophobicContact CB-CZ3 3.61Å |
| 339 | K | 89.3 | Confident | 81.8 | Confident | 82 Ų | 82 | 38.2 Ų | 38.2 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | -129.2 | -174.3 | -56.2 | -178.3 | -176.4 | 176.9 | 0 | 110.3 | P317 D325 Y341 T370 | P317-K339 HydrophobicContact CG-CD 4.01Å; P317-K339 HydrophobicContact CG-CG 4.37Å; D325-K339 PolarHBondContact OD2-N 3.03Å; K339-Y341 VanDerWaalsContact C-N 3.3Å; K339-T370 CarbonylContact C-O 3.59Å; K339-T370 WeakPolarHBondContact CA-O 3.37Å |
| 340 | Q | 89.1 | Confident | 81.4 | Confident | 76 Ų | 76 | 41.8 Ų | 41.8 | 36% | 0.355 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6.5 | 174.1 | 68.6 | -173.1 | 80.5 | 0 | 0 | 114.1 | K338 D357 I358 | K338-Q340 PolarHBondContact O-N 3.34Å; Q340-D357 PolarHBondContact NE2-OD2 2.7Å; Q340-D357 VanDerWaalsContact NE2-OD2 3.08Å; Q340-I358 WeakPolarHBondContact O-CG1 3.25Å; Q340-I358 PolarHBondContact O-N 3.1Å |
| 341 | Y | 90.4 | Very high | 81.3 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 17% | 0.173 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 157.6 | -173.9 | -58.4 | -76.6 | 0 | 0 | 0 | 112.3 | V316 P317 K338 K339 P355 L356 | V316-Y341 HydrophobicContact CG1-CD1 4.32Å; V316-Y341 HydrophobicContact CG1-CD2 4.22Å; V316-Y341 HydrophobicContact CG1-CE1 4.36Å; V316-Y341 HydrophobicContact CG1-CE2 4.24Å; V316-Y341 HydrophobicContact CG1-CG 4.25Å; V316-Y341 HydrophobicContact CG2-CE1 4.36Å; V316-Y341 HydrophobicContact CG2-CE2 4.41Å; P317-Y341 VanDerWaalsContact CD-CD2 3.49Å; P317-Y341 HydrophobicContact CG-CD2 4.22Å; K338-Y341 PolarHBondContact N-O 2.68Å; K338-Y341 WeakPolarHBondContact O-CA 3.44Å; K338-Y341 PolarHBondContact O-N 3.4Å; K338-Y341 VanDerWaalsContact O-O 3.09Å; K339-Y341 VanDerWaalsContact C-N 3.3Å; Y341-P355 HydrophobicContact CD1-CB 4.28Å; Y341-L356 CarbonylContact C-O 3.54Å; Y341-L356 VanDerWaalsContact CA-O 3.23Å; Y341-L356 WeakPolarHBondContact CA-O 2.98Å |
| 342 | F | 91.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 157 | 166.3 | 75.4 | -83.7 | 0 | 0 | 0 | 111.9 | F335 A336 F337 R344 L356 I358 F361 | F335-F342 AromaticContact CD1-CD2 3.46Å; F335-F342 HydrophobicContact CD1-CD2 3.46Å; F335-F342 VanDerWaalsContact CD1-CD2 3.46Å; F335-F342 AromaticContact CD1-CE2 3.63Å; F335-F342 HydrophobicContact CD1-CE2 3.63Å; F335-F342 HydrophobicContact CD1-CG 4.44Å; F335-F342 AromaticContact CE1-CD2 3.83Å; F335-F342 HydrophobicContact CE1-CD2 3.83Å; F335-F342 AromaticContact CE1-CE2 3.45Å; F335-F342 HydrophobicContact CE1-CE2 3.45Å; F335-F342 VanDerWaalsContact CE1-CE2 3.45Å; F335-F342 HydrophobicContact CE1-CZ 4.37Å; A336-F342 CarbonylContact O-C 3.55Å; A336-F342 WeakPolarHBondContact O-CA 3.16Å; A336-F342 WeakPolarHBondContact O-CB 3.34Å; F337-F342 HydrophobicContact CD1-CB 3.49Å; F337-F342 VanDerWaalsContact CD1-CB 3.49Å; F337-F342 HydrophobicContact CD1-CG 4.34Å; F337-F342 HydrophobicContact CE1-CB 3.68Å; F337-F342 HydrophobicContact CE1-CG 4.07Å; F337-F342 HydrophobicContact CG-CB 4.15Å; F337-F342 HydrophobicContact CZ-CB 4.48Å; F342-R344 HydrophobicContact CD2-CG 4.38Å; F342-R344 HydrophobicContact CE2-CG 4.01Å; F342-L356 HydrophobicContact CD1-CB 3.97Å; F342-L356 WeakPolarHBondContact CD1-O 3.48Å; F342-L356 HydrophobicContact CE1-CB 3.41Å; F342-L356 VanDerWaalsContact CE1-CB 3.41Å; F342-L356 HydrophobicContact CE1-CD1 4.35Å; F342-L356 HydrophobicContact CE2-CB 4.12Å; F342-L356 HydrophobicContact CE2-CD1 3.87Å; F342-L356 HydrophobicContact CZ-CB 3.51Å; F342-L356 HydrophobicContact CZ-CD1 3.56Å; F342-L356 HydrophobicContact CZ-CG 4.19Å; F342-L356 PolarHBondContact N-O 3.46Å; F342-L356 PolarHBondContact O-N 3.11Å; F342-I358 HydrophobicContact CB-CG1 4.32Å; F342-I358 HydrophobicContact CD1-CG1 3.84Å; F342-F361 HydrophobicContact CE1-CB 3.64Å; F342-F361 HydrophobicContact CE1-CD1 4.35Å; F342-F361 AromaticContact CE1-CG 3.98Å; F342-F361 HydrophobicContact CE1-CG 3.98Å; F342-F361 HydrophobicContact CZ-CB 3.8Å; F342-F361 AromaticContact CZ-CD1 3.91Å; F342-F361 HydrophobicContact CZ-CD1 3.91Å; F342-F361 AromaticContact CZ-CD2 3.92Å; F342-F361 HydrophobicContact CZ-CD2 3.92Å; F342-F361 HydrophobicContact CZ-CE1 4.43Å; F342-F361 HydrophobicContact CZ-CE2 4.45Å; F342-F361 AromaticContact CZ-CG 3.6Å; F342-F361 HydrophobicContact CZ-CG 3.6Å |
| 343 | W | 89.3 | Confident | 81.4 | Confident | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.9 | 172.6 | -60.8 | -99.4 | 0 | 0 | 0 | 109.6 | P317 P319 F335 A336 K338 L345 L351 P355 | P317-W343 HydrophobicContact CB-CH2 3.96Å; P317-W343 HydrophobicContact CB-CZ2 4.45Å; P317-W343 HydrophobicContact CG-CH2 4.08Å; P317-W343 WeakPolarHBondContact O-CZ2 3.47Å; P319-W343 HydrophobicContact CB-CD2 3.88Å; P319-W343 HydrophobicContact CB-CE3 4.15Å; P319-W343 HydrophobicContact CB-CG 4.28Å; P319-W343 HydrophobicContact CB-CZ2 4.41Å; P319-W343 HydrophobicContact CG-CD2 4.03Å; P319-W343 HydrophobicContact CG-CG 4.15Å; P319-W343 HydrophobicContact CG-CZ2 4.37Å; F335-W343 WeakPolarHBondContact CA-O 3.27Å; A336-W343 PolarHBondContact N-O 2.8Å; A336-W343 PolarHBondContact O-N 2.79Å; K338-W343 HydrophobicContact CB-CH2 3.97Å; K338-W343 HydrophobicContact CB-CZ3 3.61Å; W343-L345 HydrophobicContact CB-CD1 4.2Å; W343-L351 HydrophobicContact CB-CD2 3.6Å; W343-L351 HydrophobicContact CG-CD2 3.86Å; W343-P355 HydrophobicContact CZ2-CB 3.73Å; W343-P355 HydrophobicContact CZ2-CG 4.37Å |
| 344 | R | 85.8 | Confident | 81.5 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.4 | 169.5 | -70.3 | 167.4 | 71.2 | -152.9 | 2 | 108.1 | E333 F335 F342 V352 E353 | E333-R344 IonicContact OE1-CZ 3.71Å; E333-R344 IonicContact OE1-NE 3.5Å; E333-R344 PolarHBondContact OE1-NE 3.1Å; E333-R344 IonicContact OE1-NH2 3.75Å; E333-R344 PolarHBondContact OE1-NH2 3.3Å; E333-R344 IonicContact OE2-CZ 2.79Å; E333-R344 IonicContact OE2-NE 3.29Å; E333-R344 PolarHBondContact OE2-NE 3.33Å; E333-R344 IonicContact OE2-NH2 3.01Å; E333-R344 PolarHBondContact OE2-NH2 3.26Å; F335-R344 HydrophobicContact CD1-CG 4.03Å; F335-R344 HydrophobicContact CE1-CG 3.63Å; F335-R344 HydrophobicContact CE2-CG 4.16Å; F335-R344 HydrophobicContact CG-CG 4.45Å; F335-R344 HydrophobicContact CZ-CG 3.69Å; F342-R344 HydrophobicContact CD2-CG 4.38Å; F342-R344 HydrophobicContact CE2-CG 4.01Å; R344-V352 PolarHBondContact O-N 3.22Å; R344-E353 IonicContact NH1-OE1 2.85Å; R344-E353 PolarHBondContact NH1-OE1 3.14Å; R344-E353 IonicContact NH1-OE2 3.25Å |
| 345 | L | 81.9 | Confident | 81.6 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.3 | 174.6 | -68.5 | 73.2 | 0 | 0 | 0 | 107.9 | I334 A336 W343 G349 H350 L351 A488 | I334-L345 HydrophobicContact CB-CB 3.98Å; I334-L345 HydrophobicContact CG2-CB 4.2Å; I334-L345 HydrophobicContact CG2-CD1 4.49Å; I334-L345 HydrophobicContact CG2-CD2 4.29Å; I334-L345 PolarHBondContact N-O 3.2Å; I334-L345 PolarHBondContact O-N 3.41Å; A336-L345 HydrophobicContact CB-CD1 3.81Å; W343-L345 HydrophobicContact CB-CD1 4.2Å; L345-G349 WeakPolarHBondContact CD2-O 3.29Å; L345-H350 CarbonylContact C-O 3.49Å; L345-H350 VanDerWaalsContact CA-O 3.24Å; L345-H350 WeakPolarHBondContact CA-O 3.13Å; L345-L351 HydrophobicContact CD1-CD2 4.08Å; L345-L351 HydrophobicContact CG-CD2 4.19Å; L345-A488 HydrophobicContact CD1-CB 4.37Å; L345-A488 HydrophobicContact CD2-CB 4.02Å |
| 346 | D | 72.9 | Confident | 81.5 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | trans | -67 | -176.5 | 171.2 | 71.2 | 15.4 | 0 | 0 | 0 | 110.7 | Q348 G349 H350 V352 | D346-Q348 PolarHBondContact O-N 2.88Å; D346-Q348 VanDerWaalsContact OD1-CA 3.29Å; D346-Q348 WeakPolarHBondContact OD1-CA 3.44Å; D346-Q348 WeakPolarHBondContact OD1-CB 3.14Å; D346-Q348 PolarHBondContact OD1-N 2.8Å; D346-Q348 PolarHBondContact OD1-OE1 2.87Å; D346-Q348 PolarHBondContact OD2-OE1 3.02Å; D346-G349 PolarHBondContact O-N 2.77Å; D346-G349 PolarHBondContact OD1-N 2.8Å; D346-H350 PolarHBondContact N-O 3Å; D346-H350 IonicContact OD1-CG 3.47Å; D346-H350 PolarHBondContact OD1-N 3.29Å; D346-H350 IonicContact OD1-ND1 3.25Å; D346-H350 WeakPolarHBondContact OD2-CB 3.14Å; D346-H350 IonicContact OD2-CG 2.77Å; D346-H350 IonicContact OD2-ND1 3.69Å; D346-H350 PolarHBondContact OD2-ND1 2.82Å; D346-V352 HydrophobicContact CB-CG2 3.81Å; D346-V352 VanDerWaalsContact N-CG2 3.33Å | ||
| 347 | Q | 66.4 | Low | 81.3 | Confident | 95 Ų | 95 | 59.6 Ų | 59.6 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.1 | -178.6 | -61.9 | -170.4 | -21.8 | 0 | 0 | 113.5 | N332 | N332-Q347 PolarHBondContact ND2-NE2 2.91Š|
| 348 | Q | 67.8 | Low | 81.2 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -12.3 | 177.3 | -67.3 | 73.5 | 17.7 | 0 | 0 | 111.6 | D346 H350 | D346-Q348 PolarHBondContact O-N 2.88Å; D346-Q348 VanDerWaalsContact OD1-CA 3.29Å; D346-Q348 WeakPolarHBondContact OD1-CA 3.44Å; D346-Q348 WeakPolarHBondContact OD1-CB 3.14Å; D346-Q348 PolarHBondContact OD1-N 2.8Å; D346-Q348 PolarHBondContact OD1-OE1 2.87Å; D346-Q348 PolarHBondContact OD2-OE1 3.02Å; Q348-H350 VanDerWaalsContact CB-CE1 3.41Å; Q348-H350 WeakPolarHBondContact CB-CE1 3.4Å; Q348-H350 WeakPolarHBondContact CB-ND1 3.44Å |
| 349 | G | 68.2 | Low | 80.9 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 100.5 | -0.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L345 D346 | L345-G349 WeakPolarHBondContact CD2-O 3.29Å; D346-G349 PolarHBondContact O-N 2.77Å; D346-G349 PolarHBondContact OD1-N 2.8Å |
| 350 | H | 73.5 | Confident | 80.2 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | trans | -77.2 | 140.8 | -178.5 | -46.4 | 115.3 | 0 | 0 | 0 | 111.3 | L345 D346 Q348 V352 | L345-H350 CarbonylContact C-O 3.49Å; L345-H350 VanDerWaalsContact CA-O 3.24Å; L345-H350 WeakPolarHBondContact CA-O 3.13Å; D346-H350 PolarHBondContact N-O 3Å; D346-H350 IonicContact OD1-CG 3.47Å; D346-H350 PolarHBondContact OD1-N 3.29Å; D346-H350 IonicContact OD1-ND1 3.25Å; D346-H350 WeakPolarHBondContact OD2-CB 3.14Å; D346-H350 IonicContact OD2-CG 2.77Å; D346-H350 IonicContact OD2-ND1 3.69Å; D346-H350 PolarHBondContact OD2-ND1 2.82Å; Q348-H350 VanDerWaalsContact CB-CE1 3.41Å; Q348-H350 WeakPolarHBondContact CB-CE1 3.4Å; Q348-H350 WeakPolarHBondContact CB-ND1 3.44Å; H350-V352 PolarHBondContact O-N 2.85Å | ||
| 351 | L | 80.2 | Confident | 80 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 120.5 | 173.1 | -65.4 | 167.4 | 0 | 0 | 0 | 110.2 | P319 W343 L345 | P319-L351 HydrophobicContact CB-CD2 4.47Å; P319-L351 HydrophobicContact CG-CD1 3.6Å; P319-L351 HydrophobicContact CG-CD2 4.03Å; P319-L351 HydrophobicContact CG-CG 4.47Å; W343-L351 HydrophobicContact CB-CD2 3.6Å; W343-L351 HydrophobicContact CG-CD2 3.86Å; L345-L351 HydrophobicContact CD1-CD2 4.08Å; L345-L351 HydrophobicContact CG-CD2 4.19Å |
| 352 | V | 75.7 | Confident | 79.8 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | trans | -83.4 | -35 | -179.4 | -171.4 | 0 | 0 | 0 | 0 | 111 | R344 D346 H350 | R344-V352 PolarHBondContact O-N 3.22Å; D346-V352 HydrophobicContact CB-CG2 3.81Å; D346-V352 VanDerWaalsContact N-CG2 3.33Å; H350-V352 PolarHBondContact O-N 2.85Å | ||
| 353 | E | 72.8 | Confident | 79.3 | Confident | 91 Ų | 91 | 70.5 Ų | 70.5 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -144.4 | 166.8 | -168 | -72.4 | 174.1 | -166.2 | 0 | 0 | 112.1 | R344 | R344-E353 IonicContact NH1-OE1 2.85Å; R344-E353 PolarHBondContact NH1-OE1 3.14Å; R344-E353 IonicContact NH1-OE2 3.25Å |
| 354 | K | 76.6 | Confident | 79 | Confident | 184 Ų | 184 | 71.5 Ų | 71.5 | 80% | 0.8 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -62.6 | 157.4 | 169.2 | -72.2 | -175.6 | -178.8 | -178.6 | 0 | 111.1 | L356 | K354-L356 PolarHBondContact O-N 3.5Š|
| 355 | P | 85.3 | Confident | 79 | Confident | 50 Ų | 50 | 69.2 Ų | 69.2 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | trans | -54.3 | 132.3 | 175.7 | 15.4 | -27.1 | 0 | 0 | 0 | 111.8 | V316 Y341 W343 | V316-P355 HydrophobicContact CG1-CB 3.67Å; V316-P355 HydrophobicContact CG1-CG 3.34Å; Y341-P355 HydrophobicContact CD1-CB 4.28Å; W343-P355 HydrophobicContact CZ2-CB 3.73Å; W343-P355 HydrophobicContact CZ2-CG 4.37Å | ||
| 356 | L | 85.7 | Confident | 78.9 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.5 | 174.4 | -70.1 | 169.4 | 0 | 0 | 0 | 109.5 | Y341 F342 K354 F361 | Y341-L356 CarbonylContact C-O 3.54Å; Y341-L356 VanDerWaalsContact CA-O 3.23Å; Y341-L356 WeakPolarHBondContact CA-O 2.98Å; F342-L356 HydrophobicContact CD1-CB 3.97Å; F342-L356 WeakPolarHBondContact CD1-O 3.48Å; F342-L356 HydrophobicContact CE1-CB 3.41Å; F342-L356 VanDerWaalsContact CE1-CB 3.41Å; F342-L356 HydrophobicContact CE1-CD1 4.35Å; F342-L356 HydrophobicContact CE2-CB 4.12Å; F342-L356 HydrophobicContact CE2-CD1 3.87Å; F342-L356 HydrophobicContact CZ-CB 3.51Å; F342-L356 HydrophobicContact CZ-CD1 3.56Å; F342-L356 HydrophobicContact CZ-CG 4.19Å; F342-L356 PolarHBondContact N-O 3.46Å; F342-L356 PolarHBondContact O-N 3.11Å; K354-L356 PolarHBondContact O-N 3.5Å; L356-F361 HydrophobicContact CD1-CD2 4.43Å |
| 357 | D | 85 | Confident | 79.5 | Confident | 28 Ų | 28 | 76.4 Ų | 76.4 | 15% | 0.15 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.2 | 173.7 | -177.9 | -73.9 | 0 | 0 | 0 | 109.7 | Q340 E359 R360 F361 | Q340-D357 PolarHBondContact NE2-OD2 2.7Å; Q340-D357 VanDerWaalsContact NE2-OD2 3.08Å; D357-E359 PolarHBondContact OD1-N 2.81Å; D357-R360 HydrophobicContact CB-CB 4.03Å; D357-R360 HydrophobicContact CB-CG 3.87Å; D357-R360 PolarHBondContact O-N 2.84Å; D357-R360 PolarHBondContact OD1-N 2.86Å; D357-R360 VanDerWaalsContact OD1-N 3.08Å; D357-F361 PolarHBondContact O-N 2.02Å |
| 358 | I | 88.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.5 | -47.7 | -174.4 | -64.8 | 167.9 | 0 | 0 | 0 | 110.2 | F337 Q340 F342 R360 F361 W362 F365 I369 I372 | F337-I358 HydrophobicContact CD1-CD1 3.87Å; F337-I358 HydrophobicContact CD1-CG1 4.14Å; Q340-I358 WeakPolarHBondContact O-CG1 3.25Å; Q340-I358 PolarHBondContact O-N 3.1Å; F342-I358 HydrophobicContact CB-CG1 4.32Å; F342-I358 HydrophobicContact CD1-CG1 3.84Å; I358-R360 VanDerWaalsContact C-N 3.29Å; I358-R360 PolarHBondContact O-N 2.71Å; I358-F361 PolarHBondContact O-N 2.95Å; I358-W362 HydrophobicContact CG2-CB 4.5Å; I358-W362 WeakPolarHBondContact O-CB 3.33Å; I358-W362 PolarHBondContact O-N 3.48Å; I358-F365 HydrophobicContact CG2-CD2 4.36Å; I358-F365 HydrophobicContact CG2-CE2 3.79Å; I358-F365 HydrophobicContact CG2-CZ 4.42Å; I358-I369 HydrophobicContact CB-CD1 4.11Å; I358-I369 HydrophobicContact CD1-CG2 4.19Å; I358-I369 HydrophobicContact CG2-CD1 3.49Å; I358-I369 VanDerWaalsContact CG2-CD1 3.49Å; I358-I372 HydrophobicContact CD1-CG1 3.86Å |
| 359 | E | 82.3 | Confident | 81.2 | Confident | 77 Ų | 77 | 71.6 Ų | 71.6 | 36% | 0.36 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.5 | -32.1 | -177.8 | -66.5 | -178.6 | -166.4 | 0 | 0 | 112.1 | D357 F361 N368 I369 | D357-E359 PolarHBondContact OD1-N 2.81Å; E359-F361 VanDerWaalsContact C-N 3.34Å; E359-N368 WeakPolarHBondContact OE1-CA 3.45Å; E359-I369 HydrophobicContact CG-CB 4.45Å; E359-I369 HydrophobicContact CG-CD1 3.6Å; E359-I369 HydrophobicContact CG-CG1 3.9Å; E359-I369 PolarHBondContact OE1-N 2.84Å |
| 360 | R | 76.5 | Confident | 82.2 | Confident | 196 Ų | 196 | 75.2 Ų | 75.2 | 74% | 0.74 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.7 | -29.1 | 176.5 | -68.1 | -172.2 | -176.7 | -174.7 | -0.6 | 113.5 | D357 I358 Y363 | D357-R360 HydrophobicContact CB-CB 4.03Å; D357-R360 HydrophobicContact CB-CG 3.87Å; D357-R360 PolarHBondContact O-N 2.84Å; D357-R360 PolarHBondContact OD1-N 2.86Å; D357-R360 VanDerWaalsContact OD1-N 3.08Å; I358-R360 VanDerWaalsContact C-N 3.29Å; I358-R360 PolarHBondContact O-N 2.71Å; R360-Y363 WeakPolarHBondContact O-CE1 2.88Å; R360-Y363 PolarHBondContact O-OH 3.04Å |
| 361 | F | 84.8 | Confident | 83.1 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 29% | 0.285 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -93.7 | -43.3 | 179.9 | -172.7 | -87 | 0 | 0 | 0 | 112.2 | F342 L356 D357 I358 E359 N398 | F342-F361 HydrophobicContact CE1-CB 3.64Å; F342-F361 HydrophobicContact CE1-CD1 4.35Å; F342-F361 AromaticContact CE1-CG 3.98Å; F342-F361 HydrophobicContact CE1-CG 3.98Å; F342-F361 HydrophobicContact CZ-CB 3.8Å; F342-F361 AromaticContact CZ-CD1 3.91Å; F342-F361 HydrophobicContact CZ-CD1 3.91Å; F342-F361 AromaticContact CZ-CD2 3.92Å; F342-F361 HydrophobicContact CZ-CD2 3.92Å; F342-F361 HydrophobicContact CZ-CE1 4.43Å; F342-F361 HydrophobicContact CZ-CE2 4.45Å; F342-F361 AromaticContact CZ-CG 3.6Å; F342-F361 HydrophobicContact CZ-CG 3.6Å; L356-F361 HydrophobicContact CD1-CD2 4.43Å; D357-F361 PolarHBondContact O-N 2.02Å; I358-F361 PolarHBondContact O-N 2.95Å; E359-F361 VanDerWaalsContact C-N 3.34Å; F361-N398 HydrophobicContact CD1-CB 4.37Å; F361-N398 HydrophobicContact CE1-CB 4.2Å; F361-N398 WeakPolarHBondContact O-CB 3.15Å; F361-N398 PolarHBondContact O-ND2 2.89Å |
| 362 | W | 84.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 1% | 0.011 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -102.5 | 97.7 | -177 | -63.1 | 98.9 | 0 | 0 | 0 | 110.5 | I330 I358 F365 T384 F386 F395 A397 N398 | I330-W362 HydrophobicContact CD1-CZ2 4.21Å; I330-W362 HydrophobicContact CG2-CH2 4.19Å; I358-W362 HydrophobicContact CG2-CB 4.5Å; I358-W362 WeakPolarHBondContact O-CB 3.33Å; I358-W362 PolarHBondContact O-N 3.48Å; W362-F365 HydrophobicContact CB-CD2 4.08Å; W362-F365 HydrophobicContact CB-CE2 3.66Å; W362-F365 HydrophobicContact CG-CE2 4.36Å; W362-T384 HydrophobicContact CH2-CG2 4.11Å; W362-T384 HydrophobicContact CZ3-CG2 4.33Å; W362-F386 AromaticContact CD2-CE2 3.79Å; W362-F386 HydrophobicContact CD2-CE2 3.79Å; W362-F386 AromaticContact CD2-CZ 3.63Å; W362-F386 HydrophobicContact CD2-CZ 3.63Å; W362-F386 AromaticContact CE2-CZ 3.52Å; W362-F386 AromaticContact CE3-CE2 3.59Å; W362-F386 HydrophobicContact CE3-CE2 3.59Å; W362-F386 AromaticContact CE3-CZ 3.89Å; W362-F386 HydrophobicContact CE3-CZ 3.89Å; W362-F386 HydrophobicContact CG-CE2 4.45Å; W362-F386 HydrophobicContact CG-CZ 4.16Å; W362-F386 HydrophobicContact CH2-CE2 4.12Å; W362-F386 HydrophobicContact CH2-CZ 4.05Å; W362-F386 HydrophobicContact CZ2-CE2 4.3Å; W362-F386 AromaticContact CZ2-CZ 3.78Å; W362-F386 HydrophobicContact CZ2-CZ 3.78Å; W362-F386 AromaticContact CZ3-CE2 3.72Å; W362-F386 HydrophobicContact CZ3-CE2 3.72Å; W362-F386 HydrophobicContact CZ3-CZ 4.06Å; W362-F386 AromaticContact NE1-CZ 3.88Å; W362-F395 HydrophobicContact CB-CD1 4.4Å; W362-F395 HydrophobicContact CB-CE1 3.84Å; W362-F395 HydrophobicContact CB-CZ 4.24Å; W362-F395 HydrophobicContact CE3-CB 4.06Å; W362-F395 AromaticContact CE3-CD1 3.66Å; W362-F395 HydrophobicContact CE3-CD1 3.66Å; W362-F395 HydrophobicContact CE3-CE1 4.23Å; W362-F395 AromaticContact CE3-CG 3.86Å; W362-F395 HydrophobicContact CE3-CG 3.86Å; W362-F395 HydrophobicContact CZ3-CB 3.95Å; W362-F395 HydrophobicContact CZ3-CD1 4.39Å; W362-F395 HydrophobicContact CZ3-CG 4.25Å; W362-A397 WeakPolarHBondContact CH2-O 3.22Å; W362-A397 WeakPolarHBondContact CZ3-O 3.45Å; W362-N398 CarbonylContact C-O 3.01Å; W362-N398 HydrophobicContact CE3-CB 4.21Å; W362-N398 HydrophobicContact CZ3-CB 4.48Å |
| 363 | Y | 82.2 | Confident | 84.6 | Confident | 128 Ų | 128 | 67.4 Ų | 67.4 | 50% | 0.502 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -79.5 | 123.7 | -174.3 | -53.6 | -60.5 | 0 | 0 | 0 | 112.2 | R360 F395 N398 V399 A400 | R360-Y363 WeakPolarHBondContact O-CE1 2.88Å; R360-Y363 PolarHBondContact O-OH 3.04Å; Y363-F395 WeakPolarHBondContact O-CE1 3.24Å; Y363-N398 WeakPolarHBondContact CD2-ND2 2.87Å; Y363-N398 WeakPolarHBondContact CE2-ND2 3.14Å; Y363-N398 PolarHBondContact N-O 3.22Å; Y363-V399 HydrophobicContact CD2-CG2 4.27Å; Y363-V399 CarbonylContact O-C 3.42Å; Y363-V399 WeakPolarHBondContact O-CA 3.07Å; Y363-A400 PolarHBondContact O-N 2.54Å |
| 364 | G | 82.4 | Confident | 85.6 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111 | 17.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N366 A400 | G364-N366 VanDerWaalsContact C-N 3.27Å; G364-N366 PolarHBondContact O-ND2 3.46Å; G364-A400 WeakPolarHBondContact O-CB 3.5Å |
| 365 | F | 86 | Confident | 86.5 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | trans | -60.2 | -39.3 | 166.6 | -86.9 | -78.5 | 0 | 0 | 0 | 112.1 | I358 W362 I367 I369 I372 F386 I388 W393 F395 | I358-F365 HydrophobicContact CG2-CD2 4.36Å; I358-F365 HydrophobicContact CG2-CE2 3.79Å; I358-F365 HydrophobicContact CG2-CZ 4.42Å; W362-F365 HydrophobicContact CB-CD2 4.08Å; W362-F365 HydrophobicContact CB-CE2 3.66Å; W362-F365 HydrophobicContact CG-CE2 4.36Å; F365-I367 HydrophobicContact CB-CG1 4.28Å; F365-I367 PolarHBondContact O-N 3.09Å; F365-I369 HydrophobicContact CB-CD1 3.88Å; F365-I369 HydrophobicContact CB-CG1 4.27Å; F365-I369 HydrophobicContact CD1-CD1 3.93Å; F365-I369 HydrophobicContact CD1-CG1 4.43Å; F365-I369 HydrophobicContact CD2-CD1 3.38Å; F365-I369 HydrophobicContact CE1-CD1 4.28Å; F365-I369 HydrophobicContact CE2-CD1 3.77Å; F365-I369 HydrophobicContact CG-CD1 3.46Å; F365-I369 VanDerWaalsContact CG-CD1 3.46Å; F365-I369 HydrophobicContact CG-CG1 4.19Å; F365-I369 HydrophobicContact CZ-CD1 4.19Å; F365-I372 HydrophobicContact CE1-CD1 4.25Å; F365-I372 HydrophobicContact CZ-CD1 4.08Å; F365-F386 HydrophobicContact CE1-CB 3.8Å; F365-F386 HydrophobicContact CE1-CG 4.17Å; F365-F386 HydrophobicContact CZ-CB 3.7Å; F365-F386 AromaticContact CZ-CD1 3.8Å; F365-F386 HydrophobicContact CZ-CD1 3.8Å; F365-F386 AromaticContact CZ-CD2 3.89Å; F365-F386 HydrophobicContact CZ-CD2 3.89Å; F365-F386 HydrophobicContact CZ-CE1 4.39Å; F365-F386 HydrophobicContact CZ-CE2 4.46Å; F365-F386 AromaticContact CZ-CG 3.53Å; F365-F386 HydrophobicContact CZ-CG 3.53Å; F365-I388 HydrophobicContact CD1-CD1 3.97Å; F365-I388 HydrophobicContact CE1-CD1 3.73Å; F365-W393 AromaticContact CD1-CD2 3.75Å; F365-W393 HydrophobicContact CD1-CD2 3.75Å; F365-W393 AromaticContact CD1-CE2 3.83Å; F365-W393 HydrophobicContact CD1-CE3 4.19Å; F365-W393 AromaticContact CD1-CG 3.95Å; F365-W393 HydrophobicContact CD1-CG 3.95Å; F365-W393 HydrophobicContact CD1-CZ2 4.38Å; F365-W393 HydrophobicContact CE1-CB 4.38Å; F365-W393 AromaticContact CE1-CD2 3.99Å; F365-W393 HydrophobicContact CE1-CD2 3.99Å; F365-W393 HydrophobicContact CE1-CE3 4.12Å; F365-W393 HydrophobicContact CE1-CG 4.13Å; F365-W393 PolarHBondContact O-NE1 3.33Å; F365-F395 HydrophobicContact CD1-CE2 4.49Å; F365-F395 HydrophobicContact CD1-CZ 4.35Å; F365-F395 HydrophobicContact CD2-CE1 4.35Å; F365-F395 HydrophobicContact CD2-CE2 4.25Å; F365-F395 AromaticContact CD2-CZ 3.51Å; F365-F395 HydrophobicContact CD2-CZ 3.51Å; F365-F395 HydrophobicContact CE1-CE2 4.09Å; F365-F395 HydrophobicContact CE1-CZ 4.28Å; F365-F395 HydrophobicContact CE2-CE1 4.31Å; F365-F395 AromaticContact CE2-CE2 3.83Å; F365-F395 HydrophobicContact CE2-CE2 3.83Å; F365-F395 AromaticContact CE2-CZ 3.44Å; F365-F395 HydrophobicContact CE2-CZ 3.44Å; F365-F395 VanDerWaalsContact CE2-CZ 3.44Å; F365-F395 AromaticContact CG-CZ 4Å; F365-F395 HydrophobicContact CG-CZ 4Å; F365-F395 AromaticContact CZ-CE2 3.75Å; F365-F395 HydrophobicContact CZ-CE2 3.75Å; F365-F395 AromaticContact CZ-CZ 3.85Å; F365-F395 HydrophobicContact CZ-CZ 3.85Å | ||
| 366 | N | 80.5 | Confident | 86.8 | Confident | 143 Ų | 143 | 52.6 Ų | 52.6 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | trans | 57.5 | 24.6 | 179.4 | -54.3 | -36.4 | 0 | 0 | 0 | 114.3 | G364 | G364-N366 VanDerWaalsContact C-N 3.27Å; G364-N366 PolarHBondContact O-ND2 3.46Å | ||
| 367 | I | 84.9 | Confident | 87 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -137.8 | 159.7 | 174 | 61.4 | 163.1 | 0 | 0 | 0 | 108.4 | F365 I369 I388 W393 | F365-I367 HydrophobicContact CB-CG1 4.28Å; F365-I367 PolarHBondContact O-N 3.09Å; I367-I369 HydrophobicContact CG1-CG1 4.31Å; I367-I369 PolarHBondContact O-N 2.91Å; I367-I388 HydrophobicContact CD1-CD1 3.86Å; I367-W393 HydrophobicContact CD1-CH2 3.62Å; I367-W393 HydrophobicContact CD1-CZ2 3.71Å; I367-W393 HydrophobicContact CG1-CH2 4.43Å; I367-W393 HydrophobicContact CG1-CZ2 4.02Å; I367-W393 HydrophobicContact CG2-CZ2 4.23Å |
| 368 | N | 83.9 | Confident | 87.2 | Confident | 128 Ų | 128 | 50.6 Ų | 50.6 | 68% | 0.684 | 25% | 0.246 | S | C | * | . | trans | -77.4 | 108.6 | 170 | -174.1 | 31.9 | 0 | 0 | 0 | 109.2 | E359 T370 | E359-N368 WeakPolarHBondContact OE1-CA 3.45Å; N368-T370 PolarHBondContact O-N 3.42Å | ||
| 369 | I | 86.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | trans | -76.8 | 113.6 | -175.1 | -58 | 176.3 | 0 | 0 | 0 | 109.9 | I358 E359 F365 I367 H371 I372 | I358-I369 HydrophobicContact CB-CD1 4.11Å; I358-I369 HydrophobicContact CD1-CG2 4.19Å; I358-I369 HydrophobicContact CG2-CD1 3.49Å; I358-I369 VanDerWaalsContact CG2-CD1 3.49Å; E359-I369 HydrophobicContact CG-CB 4.45Å; E359-I369 HydrophobicContact CG-CD1 3.6Å; E359-I369 HydrophobicContact CG-CG1 3.9Å; E359-I369 PolarHBondContact OE1-N 2.84Å; F365-I369 HydrophobicContact CB-CD1 3.88Å; F365-I369 HydrophobicContact CB-CG1 4.27Å; F365-I369 HydrophobicContact CD1-CD1 3.93Å; F365-I369 HydrophobicContact CD1-CG1 4.43Å; F365-I369 HydrophobicContact CD2-CD1 3.38Å; F365-I369 HydrophobicContact CE1-CD1 4.28Å; F365-I369 HydrophobicContact CE2-CD1 3.77Å; F365-I369 HydrophobicContact CG-CD1 3.46Å; F365-I369 VanDerWaalsContact CG-CD1 3.46Å; F365-I369 HydrophobicContact CG-CG1 4.19Å; F365-I369 HydrophobicContact CZ-CD1 4.19Å; I367-I369 HydrophobicContact CG1-CG1 4.31Å; I367-I369 PolarHBondContact O-N 2.91Å; I369-H371 WeakPolarHBondContact CG2-O 3.47Å; I369-I372 HydrophobicContact CG2-CD1 3.93Å; I369-I372 HydrophobicContact CG2-CG1 4.41Å | ||
| 370 | T | 88.8 | Confident | 86.2 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -92.6 | -26.3 | 174.1 | 59.6 | 0 | 0 | 0 | 0 | 113 | K339 N368 | K339-T370 CarbonylContact C-O 3.59Å; K339-T370 WeakPolarHBondContact CA-O 3.37Å; N368-T370 PolarHBondContact O-N 3.42Å |
| 371 | H | 91.9 | Very high | 86 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | trans | -169.8 | 173 | 177.1 | 61.1 | -69.8 | 0 | 0 | 0 | 109.3 | D325 I369 D373 | D325-H371 HydrophobicContact CB-CB 4.41Å; D325-H371 WeakPolarHBondContact OD2-CB 3.39Å; I369-H371 WeakPolarHBondContact CG2-O 3.47Å; H371-D373 IonicContact CD2-OD1 3.46Å; H371-D373 PolarHBondContact CD2-OD1 2.7Å; H371-D373 IonicContact NE2-OD1 2.75Å; H371-D373 PolarHBondContact NE2-OD1 3.38Å | ||
| 372 | I | 94.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -121.8 | 129.4 | 169.8 | -61 | -62.5 | 0 | 0 | 0 | 107.7 | A326 F337 I358 F365 I369 V375 F386 I388 | A326-I372 HydrophobicContact CB-CB 4.44Å; A326-I372 HydrophobicContact CB-CG2 4.18Å; A326-I372 WeakPolarHBondContact CB-O 3.17Å; F337-I372 HydrophobicContact CB-CB 4.38Å; F337-I372 HydrophobicContact CD1-CG1 4.23Å; I358-I372 HydrophobicContact CD1-CG1 3.86Å; F365-I372 HydrophobicContact CE1-CD1 4.25Å; F365-I372 HydrophobicContact CZ-CD1 4.08Å; I369-I372 HydrophobicContact CG2-CD1 3.93Å; I369-I372 HydrophobicContact CG2-CG1 4.41Å; I372-V375 HydrophobicContact CG2-CG2 3.3Å; I372-F386 HydrophobicContact CD1-CD1 4.1Å; I372-F386 HydrophobicContact CG1-CD1 4.44Å; I372-F386 HydrophobicContact CG2-CD1 4.03Å; I372-I388 HydrophobicContact CD1-CD1 3.61Å; I372-I388 HydrophobicContact CD1-CG1 3.85Å | ||
| 373 | D | 93.5 | Very high | 85.6 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -80.5 | -47.6 | -179.1 | -68 | -55 | 0 | 0 | 0 | 111.8 | H371 F387 I388 G389 I420 | H371-D373 IonicContact CD2-OD1 3.46Å; H371-D373 PolarHBondContact CD2-OD1 2.7Å; H371-D373 IonicContact NE2-OD1 2.75Å; H371-D373 PolarHBondContact NE2-OD1 3.38Å; D373-F387 PolarHBondContact N-O 2.72Å; D373-I388 WeakPolarHBondContact OD2-CA 3.37Å; D373-G389 PolarHBondContact OD2-N 3.12Å; D373-I420 VanDerWaalsContact CB-O 3.3Å; D373-I420 WeakPolarHBondContact CB-O 3.32Å |
| 374 | A | 94.1 | Very high | 86.1 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 150.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F387 I420 A423 | A374-F387 HydrophobicContact CB-CB 4.22Å; A374-F387 HydrophobicContact CB-CD2 3.94Å; A374-F387 HydrophobicContact CB-CG 4.48Å; A374-F387 PolarHBondContact O-N 3.37Å; A374-I420 HydrophobicContact CB-CB 4.34Å; A374-I420 HydrophobicContact CB-CG2 3.81Å; A374-I420 WeakPolarHBondContact CB-O 3.22Å; A374-A423 HydrophobicContact CB-CB 4.15Å |
| 375 | V | 94.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.2 | 175.8 | -170 | 0 | 0 | 0 | 0 | 109.5 | S328 I330 F337 I372 T384 V385 F386 | S328-V375 WeakPolarHBondContact CB-O 3.32Å; S328-V375 PolarHBondContact OG-O 2.88Å; I330-V375 HydrophobicContact CD1-CG1 3.81Å; I330-V375 HydrophobicContact CG1-CG1 4.33Å; F337-V375 HydrophobicContact CD2-CG2 4.21Å; F337-V375 HydrophobicContact CE2-CB 4.42Å; F337-V375 HydrophobicContact CE2-CG2 3.96Å; F337-V375 HydrophobicContact CZ-CG2 4.34Å; I372-V375 HydrophobicContact CG2-CG2 3.3Å; V375-T384 HydrophobicContact CG1-CG2 3.6Å; V375-V385 WeakPolarHBondContact CA-O 3.47Å; V375-F386 HydrophobicContact CB-CD1 4.3Å; V375-F386 HydrophobicContact CB-CE1 4.38Å; V375-F386 HydrophobicContact CG1-CD1 3.91Å; V375-F386 HydrophobicContact CG1-CE1 3.74Å; V375-F386 HydrophobicContact CG1-CE2 4.48Å; V375-F386 HydrophobicContact CG1-CG 4.34Å; V375-F386 HydrophobicContact CG1-CZ 4.04Å; V375-F386 HydrophobicContact CG2-CD1 3.41Å; V375-F386 VanDerWaalsContact CG2-CD1 3.41Å; V375-F386 HydrophobicContact CG2-CE1 3.64Å; V375-F386 HydrophobicContact CG2-CG 4.31Å |
| 376 | Y | 92.7 | Very high | 87.2 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159.6 | 166.4 | 82.5 | -73.4 | 0 | 0 | 0 | 111.4 | R378 V385 F387 A423 V425 T432 F434 E445 | Y376-R378 HydrophobicContact CE2-CB 4.33Å; Y376-R378 HydrophobicContact CE2-CG 3.75Å; Y376-V385 HydrophobicContact CD1-CB 3.82Å; Y376-V385 HydrophobicContact CD1-CG1 4.32Å; Y376-V385 HydrophobicContact CE1-CB 3.43Å; Y376-V385 VanDerWaalsContact CE1-CB 3.43Å; Y376-V385 HydrophobicContact CE1-CG1 3.74Å; Y376-V385 HydrophobicContact CE1-CG2 3.87Å; Y376-V385 PolarHBondContact N-O 3.48Å; Y376-V385 VanDerWaalsContact N-O 3.08Å; Y376-V385 PolarHBondContact O-N 2.95Å; Y376-F387 AromaticContact CD1-CE2 3.65Å; Y376-F387 HydrophobicContact CD1-CE2 3.65Å; Y376-F387 HydrophobicContact CD1-CZ 4.36Å; Y376-F387 AromaticContact CE1-CE2 3.61Å; Y376-F387 HydrophobicContact CE1-CE2 3.61Å; Y376-F387 AromaticContact CE1-CZ 3.85Å; Y376-F387 HydrophobicContact CE1-CZ 3.85Å; Y376-A423 HydrophobicContact CD1-CB 3.83Å; Y376-A423 HydrophobicContact CG-CB 4.14Å; Y376-V425 HydrophobicContact CD2-CG2 3.87Å; Y376-V425 HydrophobicContact CE2-CG2 4.42Å; Y376-T432 HydrophobicContact CD2-CG2 3.8Å; Y376-T432 HydrophobicContact CE1-CG2 4.34Å; Y376-T432 HydrophobicContact CE2-CG2 3.43Å; Y376-T432 VanDerWaalsContact CE2-CG2 3.43Å; Y376-T432 HydrophobicContact CG-CG2 4.39Å; Y376-F434 HydrophobicContact CD1-CE1 4.04Å; Y376-F434 AromaticContact CE1-CE1 3.54Å; Y376-F434 HydrophobicContact CE1-CE1 3.54Å; Y376-F434 AromaticContact CE1-CZ 3.91Å; Y376-F434 HydrophobicContact CE1-CZ 3.91Å; Y376-F434 AromaticContact CZ-CE1 3.91Å; Y376-F434 AromaticContact CZ-CZ 3.98Å; Y376-E445 VanDerWaalsContact CE2-OE1 3.28Å; Y376-E445 WeakPolarHBondContact CE2-OE1 3.38Å; Y376-E445 PolarHBondContact OH-OE1 3.08Å |
| 377 | E | 89.8 | Confident | 88 | Confident | 28 Ų | 28 | 36 Ų | 36 | 13% | 0.131 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.2 | 173.1 | -176.6 | 171.5 | -100.5 | 0 | 0 | 109 | R64 R331 R383 V425 | R64-E377 WeakPolarHBondContact CD-OE1 3.42Å; R64-E377 WeakPolarHBondContact CD-OE2 3.26Å; R64-E377 IonicContact CZ-OE1 3.08Å; R64-E377 IonicContact NE-OE1 2.55Å; R64-E377 PolarHBondContact NE-OE1 3.07Å; R64-E377 IonicContact NH1-OE1 3.88Å; R64-E377 PolarHBondContact NH1-OE1 3.05Å; R331-E377 PolarHBondContact N-OE1 2.63Å; E377-R383 CarbonylContact C-O 3.53Å; E377-R383 WeakPolarHBondContact CA-O 3.44Å; E377-V425 VanDerWaalsContact O-CG2 3.26Å; E377-V425 WeakPolarHBondContact O-CG2 3.17Å |
| 378 | R | 89.7 | Confident | 88.5 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 132.1 | 177.6 | -55.1 | -170.8 | 79.8 | 174.9 | 2.7 | 109.2 | Y376 D380 L381 R383 V385 E394 F443 E445 N448 | Y376-R378 HydrophobicContact CE2-CB 4.33Å; Y376-R378 HydrophobicContact CE2-CG 3.75Å; R378-D380 PolarHBondContact O-N 2.78Å; R378-L381 HydrophobicContact CB-CB 4.37Å; R378-L381 HydrophobicContact CB-CD1 4.34Å; R378-R383 HydrophobicContact CB-CB 4.36Å; R378-R383 HydrophobicContact CG-CB 4.28Å; R378-R383 PolarHBondContact N-O 2.75Å; R378-V385 HydrophobicContact CG-CG2 3.65Å; R378-E394 WeakPolarHBondContact CD-OE1 3.18Å; R378-E394 IonicContact CZ-OE1 2.79Å; R378-E394 IonicContact NE-OE1 2.68Å; R378-E394 IonicContact NH1-OE1 2.56Å; R378-E394 PolarHBondContact NH1-OE1 2.74Å; R378-E394 IonicContact NH1-OE2 3.18Å; R378-F443 VanDerWaalsContact NH2-CE1 3.28Å; R378-E445 IonicContact CZ-OE2 2.76Å; R378-E445 IonicContact NE-OE1 3.95Å; R378-E445 IonicContact NE-OE2 2.85Å; R378-E445 PolarHBondContact NE-OE2 3.36Å; R378-E445 IonicContact NH2-OE2 3.61Å; R378-E445 PolarHBondContact NH2-OE2 3.49Å; R378-N448 PolarHBondContact NH1-OD1 2.98Å; R378-N448 VanDerWaalsContact NH1-OD1 3.14Å; R378-N448 PolarHBondContact NH2-OD1 3.08Å |
| 379 | P | 81.2 | Confident | 89 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 137.1 | 179.1 | 25.4 | -30.3 | 0 | 0 | 0 | 110 | L381 V425 E445 | P379-L381 PolarHBondContact O-N 3.18Å; P379-V425 HydrophobicContact CB-CG1 4.24Å; P379-V425 HydrophobicContact CG-CG1 4.11Å; P379-E445 HydrophobicContact CG-CB 4.28Å; P379-E445 HydrophobicContact CG-CG 3.66Å |
| 380 | D | 68.8 | Low | 89.4 | Confident | 111 Ų | 111 | 34.1 Ų | 34.1 | 59% | 0.594 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 7.1 | 167.2 | -40.9 | -42.6 | 0 | 0 | 0 | 115.9 | K65 R378 | K65-D380 IonicContact NZ-OD1 3.34Å; K65-D380 PolarHBondContact NZ-OD1 2.59Å; K65-D380 IonicContact NZ-OD2 3.61Å; K65-D380 PolarHBondContact NZ-OD2 3.4Å; R378-D380 PolarHBondContact O-N 2.78Å |
| 381 | L | 70.8 | Confident | 89.8 | Confident | 81 Ų | 81 | 33 Ų | 33 | 42% | 0.424 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -10.3 | -178.7 | -64.2 | 179.2 | 0 | 0 | 0 | 115.5 | R378 P379 R383 | R378-L381 HydrophobicContact CB-CB 4.37Å; R378-L381 HydrophobicContact CB-CD1 4.34Å; P379-L381 PolarHBondContact O-N 3.18Å; L381-R383 HydrophobicContact CB-CB 4.25Å; L381-R383 HydrophobicContact CB-CG 3.91Å; L381-R383 WeakPolarHBondContact O-CG 3.23Å; L381-R383 PolarHBondContact O-N 2.9Å |
| 382 | D | 73.4 | Confident | 90 | Very high | 45 Ų | 45 | 30.4 Ų | 30.4 | 24% | 0.241 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 45 | -168.5 | -171.6 | -1.8 | 0 | 0 | 0 | 111.4 | R64 R331 | R64-D382 IonicContact CZ-OD1 2.72Å; R64-D382 IonicContact CZ-OD2 2.68Å; R64-D382 IonicContact NH1-OD1 3.28Å; R64-D382 PolarHBondContact NH1-OD1 3.38Å; R64-D382 IonicContact NH2-OD1 3.57Å; R64-D382 PolarHBondContact NH2-OD1 3.04Å; R64-D382 IonicContact NH2-OD2 3.11Å; R64-D382 PolarHBondContact NH2-OD2 2.68Å; R331-D382 IonicContact CZ-OD1 3.42Å; R331-D382 IonicContact NE-OD1 2.76Å; R331-D382 IonicContact NH2-OD1 3.4Å; R331-D382 PolarHBondContact NH2-OD1 2.89Å; R331-D382 IonicContact NH2-OD2 2.89Å; R331-D382 PolarHBondContact NH2-OD2 3.02Å |
| 383 | R | 88.5 | Confident | 90.1 | Very high | 82 Ų | 82 | 30.4 Ų | 30.4 | 31% | 0.309 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.7 | 177.2 | -63.9 | -174.6 | -171.1 | -167.9 | 2.6 | 110.1 | E377 R378 L381 E394 F395 | E377-R383 CarbonylContact C-O 3.53Å; E377-R383 WeakPolarHBondContact CA-O 3.44Å; R378-R383 HydrophobicContact CB-CB 4.36Å; R378-R383 HydrophobicContact CG-CB 4.28Å; R378-R383 PolarHBondContact N-O 2.75Å; L381-R383 HydrophobicContact CB-CB 4.25Å; L381-R383 HydrophobicContact CB-CG 3.91Å; L381-R383 WeakPolarHBondContact O-CG 3.23Å; L381-R383 PolarHBondContact O-N 2.9Å; R383-E394 HydrophobicContact CB-CG 3.92Å; R383-E394 WeakPolarHBondContact CD-OE1 3.12Å; R383-E394 HydrophobicContact CG-CG 4.34Å; R383-E394 IonicContact CZ-OE2 3.49Å; R383-E394 IonicContact NE-OE1 3.38Å; R383-E394 IonicContact NH1-OE1 3.42Å; R383-E394 PolarHBondContact NH1-OE1 3.3Å; R383-E394 IonicContact NH1-OE2 2.63Å; R383-E394 PolarHBondContact NH1-OE2 3.35Å; R383-F395 CarbonylContact C-O 3.5Å; R383-F395 WeakPolarHBondContact CA-O 2.84Å |
| 384 | T | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.4 | 175.2 | -53.2 | 0 | 0 | 0 | 0 | 108.3 | I330 W362 V375 F386 F395 | I330-T384 HydrophobicContact CD1-CG2 3.95Å; I330-T384 HydrophobicContact CG1-CG2 4.27Å; I330-T384 HydrophobicContact CG2-CG2 4.07Å; I330-T384 WeakPolarHBondContact CG2-OG1 3.48Å; W362-T384 HydrophobicContact CH2-CG2 4.11Å; W362-T384 HydrophobicContact CZ3-CG2 4.33Å; V375-T384 HydrophobicContact CG1-CG2 3.6Å; T384-F386 HydrophobicContact CG2-CD2 4.04Å; T384-F386 HydrophobicContact CG2-CE2 3.41Å; T384-F386 VanDerWaalsContact CG2-CE2 3.41Å; T384-F386 HydrophobicContact CG2-CZ 3.77Å; T384-F395 PolarHBondContact N-O 3.11Å; T384-F395 PolarHBondContact O-N 2.93Å |
| 385 | V | 95.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.3 | 178.3 | 178.7 | 0 | 0 | 0 | 0 | 109 | V375 Y376 R378 F387 F392 W393 E394 | V375-V385 WeakPolarHBondContact CA-O 3.47Å; Y376-V385 HydrophobicContact CD1-CB 3.82Å; Y376-V385 HydrophobicContact CD1-CG1 4.32Å; Y376-V385 HydrophobicContact CE1-CB 3.43Å; Y376-V385 VanDerWaalsContact CE1-CB 3.43Å; Y376-V385 HydrophobicContact CE1-CG1 3.74Å; Y376-V385 HydrophobicContact CE1-CG2 3.87Å; Y376-V385 PolarHBondContact N-O 3.48Å; Y376-V385 VanDerWaalsContact N-O 3.08Å; Y376-V385 PolarHBondContact O-N 2.95Å; R378-V385 HydrophobicContact CG-CG2 3.65Å; V385-F387 HydrophobicContact CG1-CD2 4.29Å; V385-F387 HydrophobicContact CG1-CE1 4.19Å; V385-F387 HydrophobicContact CG1-CE2 3.74Å; V385-F387 HydrophobicContact CG1-CZ 3.67Å; V385-F392 HydrophobicContact CG1-CB 4.24Å; V385-F392 HydrophobicContact CG1-CD2 3.78Å; V385-F392 HydrophobicContact CG1-CG 4.47Å; V385-W393 CarbonylContact C-O 3.59Å; V385-W393 VanDerWaalsContact CA-O 3.26Å; V385-W393 WeakPolarHBondContact CA-O 3.38Å; V385-E394 HydrophobicContact CG2-CB 4.34Å; V385-E394 HydrophobicContact CG2-CG 4.05Å |
| 386 | F | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.8 | 175.1 | -68 | -95.5 | 0 | 0 | 0 | 109.4 | I330 F337 W362 F365 I372 V375 T384 F392 W393 F395 | I330-F386 HydrophobicContact CD1-CZ 4.48Å; F337-F386 AromaticContact CE1-CE1 3.81Å; F337-F386 HydrophobicContact CE1-CE1 3.81Å; F337-F386 AromaticContact CZ-CE1 3.79Å; F337-F386 HydrophobicContact CZ-CE1 3.79Å; F337-F386 HydrophobicContact CZ-CZ 4.35Å; W362-F386 AromaticContact CD2-CE2 3.79Å; W362-F386 HydrophobicContact CD2-CE2 3.79Å; W362-F386 AromaticContact CD2-CZ 3.63Å; W362-F386 HydrophobicContact CD2-CZ 3.63Å; W362-F386 AromaticContact CE2-CZ 3.52Å; W362-F386 AromaticContact CE3-CE2 3.59Å; W362-F386 HydrophobicContact CE3-CE2 3.59Å; W362-F386 AromaticContact CE3-CZ 3.89Å; W362-F386 HydrophobicContact CE3-CZ 3.89Å; W362-F386 HydrophobicContact CG-CE2 4.45Å; W362-F386 HydrophobicContact CG-CZ 4.16Å; W362-F386 HydrophobicContact CH2-CE2 4.12Å; W362-F386 HydrophobicContact CH2-CZ 4.05Å; W362-F386 HydrophobicContact CZ2-CE2 4.3Å; W362-F386 AromaticContact CZ2-CZ 3.78Å; W362-F386 HydrophobicContact CZ2-CZ 3.78Å; W362-F386 AromaticContact CZ3-CE2 3.72Å; W362-F386 HydrophobicContact CZ3-CE2 3.72Å; W362-F386 HydrophobicContact CZ3-CZ 4.06Å; W362-F386 AromaticContact NE1-CZ 3.88Å; F365-F386 HydrophobicContact CE1-CB 3.8Å; F365-F386 HydrophobicContact CE1-CG 4.17Å; F365-F386 HydrophobicContact CZ-CB 3.7Å; F365-F386 AromaticContact CZ-CD1 3.8Å; F365-F386 HydrophobicContact CZ-CD1 3.8Å; F365-F386 AromaticContact CZ-CD2 3.89Å; F365-F386 HydrophobicContact CZ-CD2 3.89Å; F365-F386 HydrophobicContact CZ-CE1 4.39Å; F365-F386 HydrophobicContact CZ-CE2 4.46Å; F365-F386 AromaticContact CZ-CG 3.53Å; F365-F386 HydrophobicContact CZ-CG 3.53Å; I372-F386 HydrophobicContact CD1-CD1 4.1Å; I372-F386 HydrophobicContact CG1-CD1 4.44Å; I372-F386 HydrophobicContact CG2-CD1 4.03Å; V375-F386 HydrophobicContact CB-CD1 4.3Å; V375-F386 HydrophobicContact CB-CE1 4.38Å; V375-F386 HydrophobicContact CG1-CD1 3.91Å; V375-F386 HydrophobicContact CG1-CE1 3.74Å; V375-F386 HydrophobicContact CG1-CE2 4.48Å; V375-F386 HydrophobicContact CG1-CG 4.34Å; V375-F386 HydrophobicContact CG1-CZ 4.04Å; V375-F386 HydrophobicContact CG2-CD1 3.41Å; V375-F386 VanDerWaalsContact CG2-CD1 3.41Å; V375-F386 HydrophobicContact CG2-CE1 3.64Å; V375-F386 HydrophobicContact CG2-CG 4.31Å; T384-F386 HydrophobicContact CG2-CD2 4.04Å; T384-F386 HydrophobicContact CG2-CE2 3.41Å; T384-F386 VanDerWaalsContact CG2-CE2 3.41Å; T384-F386 HydrophobicContact CG2-CZ 3.77Å; F386-F392 CarbonylContact O-C 3.49Å; F386-F392 WeakPolarHBondContact O-CA 3.2Å; F386-F392 WeakPolarHBondContact O-CB 3.36Å; F386-W393 PolarHBondContact N-O 2.79Å; F386-W393 PolarHBondContact O-N 2.94Å; F386-F395 AromaticContact CD2-CD2 3.51Å; F386-F395 HydrophobicContact CD2-CD2 3.51Å; F386-F395 AromaticContact CD2-CE2 3.68Å; F386-F395 HydrophobicContact CD2-CE2 3.68Å; F386-F395 HydrophobicContact CD2-CG 4.37Å; F386-F395 AromaticContact CE2-CD2 3.87Å; F386-F395 HydrophobicContact CE2-CD2 3.87Å; F386-F395 HydrophobicContact CE2-CE2 4.2Å; F386-F395 HydrophobicContact CE2-CG 4.3Å; F386-F395 HydrophobicContact CG-CE2 4.48Å |
| 387 | F | 96.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.7 | 175.1 | -63.6 | -82.1 | 0 | 0 | 0 | 109.9 | D373 A374 Y376 V385 F392 L408 I411 I420 A423 F434 | D373-F387 PolarHBondContact N-O 2.72Å; A374-F387 HydrophobicContact CB-CB 4.22Å; A374-F387 HydrophobicContact CB-CD2 3.94Å; A374-F387 HydrophobicContact CB-CG 4.48Å; A374-F387 PolarHBondContact O-N 3.37Å; Y376-F387 AromaticContact CD1-CE2 3.65Å; Y376-F387 HydrophobicContact CD1-CE2 3.65Å; Y376-F387 HydrophobicContact CD1-CZ 4.36Å; Y376-F387 AromaticContact CE1-CE2 3.61Å; Y376-F387 HydrophobicContact CE1-CE2 3.61Å; Y376-F387 AromaticContact CE1-CZ 3.85Å; Y376-F387 HydrophobicContact CE1-CZ 3.85Å; V385-F387 HydrophobicContact CG1-CD2 4.29Å; V385-F387 HydrophobicContact CG1-CE1 4.19Å; V385-F387 HydrophobicContact CG1-CE2 3.74Å; V385-F387 HydrophobicContact CG1-CZ 3.67Å; F387-F392 HydrophobicContact CD1-CB 3.43Å; F387-F392 VanDerWaalsContact CD1-CB 3.43Å; F387-F392 HydrophobicContact CD1-CG 4.38Å; F387-F392 HydrophobicContact CE1-CB 3.58Å; F387-F392 HydrophobicContact CE1-CG 4.07Å; F387-F392 HydrophobicContact CG-CB 4.28Å; F387-L408 HydrophobicContact CD1-CD2 3.64Å; F387-L408 HydrophobicContact CE1-CD2 3.79Å; F387-I411 HydrophobicContact CE1-CD1 4.24Å; F387-I420 HydrophobicContact CB-CB 4.25Å; F387-I420 HydrophobicContact CD1-CB 4.32Å; F387-I420 HydrophobicContact CD1-CG1 3.93Å; F387-I420 HydrophobicContact CD2-CB 4.46Å; F387-I420 HydrophobicContact CD2-CG2 4.38Å; F387-I420 HydrophobicContact CE1-CG1 4.19Å; F387-I420 HydrophobicContact CG-CB 4.11Å; F387-I420 HydrophobicContact CG-CG1 4.23Å; F387-A423 HydrophobicContact CD2-CB 4.39Å; F387-A423 HydrophobicContact CE2-CB 3.99Å; F387-F434 HydrophobicContact CE2-CD1 4.33Å; F387-F434 AromaticContact CE2-CE1 3.94Å; F387-F434 HydrophobicContact CE2-CE1 3.94Å; F387-F434 HydrophobicContact CZ-CD1 4.23Å; F387-F434 AromaticContact CZ-CE1 3.71Å; F387-F434 HydrophobicContact CZ-CE1 3.71Å; F387-F434 AromaticContact CZ-CZ 3.92Å; F387-F434 HydrophobicContact CZ-CZ 3.92Å |
| 388 | I | 95.5 | Very high | 88.5 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 113.2 | 173.3 | -51 | 170.7 | 0 | 0 | 0 | 107.4 | F365 I367 I372 D373 R390 Q391 W393 | F365-I388 HydrophobicContact CD1-CD1 3.97Å; F365-I388 HydrophobicContact CE1-CD1 3.73Å; I367-I388 HydrophobicContact CD1-CD1 3.86Å; I372-I388 HydrophobicContact CD1-CD1 3.61Å; I372-I388 HydrophobicContact CD1-CG1 3.85Å; D373-I388 WeakPolarHBondContact OD2-CA 3.37Å; I388-R390 PolarHBondContact O-N 3.27Å; I388-Q391 PolarHBondContact N-O 2.89Å; I388-Q391 PolarHBondContact O-N 3.28Å; I388-Q391 VanDerWaalsContact O-O 3.12Å; I388-W393 HydrophobicContact CB-CH2 4.25Å; I388-W393 HydrophobicContact CB-CZ3 3.74Å; I388-W393 HydrophobicContact CD1-CE3 4.35Å; I388-W393 HydrophobicContact CD1-CH2 4.25Å; I388-W393 HydrophobicContact CD1-CZ3 3.93Å; I388-W393 HydrophobicContact CG1-CE3 4.47Å; I388-W393 HydrophobicContact CG1-CZ3 3.96Å |
| 389 | G | 95.1 | Very high | 88.3 | Confident | 25 Ų | 25 | 36 Ų | 36 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -128 | -171 | 0 | 0 | 0 | 0 | 0 | 111.9 | D373 Q391 E418 K419 | D373-G389 PolarHBondContact OD2-N 3.12Å; G389-Q391 PolarHBondContact O-N 2.81Å; G389-E418 CarbonylContact C-O 3.47Å; G389-E418 WeakPolarHBondContact CA-O 3.37Å; G389-K419 WeakPolarHBondContact O-CA 2.88Å |
| 390 | R | 95.5 | Very high | 88.6 | Confident | 105 Ų | 105 | 36.2 Ų | 36.2 | 40% | 0.396 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 8.7 | -179.7 | -61.8 | 179.1 | 66.5 | 121.1 | 1.6 | 113.9 | I388 N407 L408 D415 E418 | I388-R390 PolarHBondContact O-N 3.27Å; R390-N407 WeakPolarHBondContact O-CA 3.04Å; R390-L408 WeakPolarHBondContact O-CG 3.28Å; R390-L408 PolarHBondContact O-N 3.21Å; R390-D415 PolarHBondContact NH1-O 2.92Å; R390-D415 PolarHBondContact NH2-O 3.24Å; R390-D415 IonicContact NH2-OD1 3.46Å; R390-D415 PolarHBondContact NH2-OD1 3.39Å; R390-E418 WeakPolarHBondContact CG-O 3.45Å; R390-E418 PolarHBondContact N-O 2.89Å |
| 391 | Q | 96.1 | Very high | 89.6 | Confident | 68 Ų | 68 | 32.6 Ų | 32.6 | 32% | 0.318 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151.7 | -175.1 | -68.7 | -173 | -42.4 | 0 | 0 | 111.4 | I388 G389 W393 P405 K406 | I388-Q391 PolarHBondContact N-O 2.89Å; I388-Q391 PolarHBondContact O-N 3.28Å; I388-Q391 VanDerWaalsContact O-O 3.12Å; G389-Q391 PolarHBondContact O-N 2.81Å; Q391-W393 HydrophobicContact CB-CH2 3.71Å; Q391-W393 HydrophobicContact CB-CZ3 3.64Å; Q391-P405 HydrophobicContact CB-CB 3.93Å; Q391-P405 HydrophobicContact CG-CB 4.24Å; Q391-K406 CarbonylContact C-O 3.59Å; Q391-K406 VanDerWaalsContact CA-O 3.29Å; Q391-K406 WeakPolarHBondContact CA-O 2.82Å |
| 392 | F | 96.5 | Very high | 90.5 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 4% | 0.044 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.3 | 170.8 | 74.6 | -77.2 | 0 | 0 | 0 | 111.1 | V385 F386 F387 Y404 P405 K406 N407 L408 I411 | V385-F392 HydrophobicContact CG1-CB 4.24Å; V385-F392 HydrophobicContact CG1-CD2 3.78Å; V385-F392 HydrophobicContact CG1-CG 4.47Å; F386-F392 CarbonylContact O-C 3.49Å; F386-F392 WeakPolarHBondContact O-CA 3.2Å; F386-F392 WeakPolarHBondContact O-CB 3.36Å; F387-F392 HydrophobicContact CD1-CB 3.43Å; F387-F392 VanDerWaalsContact CD1-CB 3.43Å; F387-F392 HydrophobicContact CD1-CG 4.38Å; F387-F392 HydrophobicContact CE1-CB 3.58Å; F387-F392 HydrophobicContact CE1-CG 4.07Å; F387-F392 HydrophobicContact CG-CB 4.28Å; F392-Y404 HydrophobicContact CD2-CD1 4.4Å; F392-Y404 AromaticContact CD2-CE1 3.79Å; F392-Y404 HydrophobicContact CD2-CE1 3.79Å; F392-Y404 HydrophobicContact CE2-CD1 4.41Å; F392-Y404 AromaticContact CE2-CE1 3.45Å; F392-Y404 HydrophobicContact CE2-CE1 3.45Å; F392-Y404 VanDerWaalsContact CE2-CE1 3.45Å; F392-Y404 AromaticContact CZ-CE1 3.97Å; F392-Y404 HydrophobicContact CZ-CE1 3.97Å; F392-Y404 VanDerWaalsContact O-CD1 3.31Å; F392-Y404 WeakPolarHBondContact O-CD1 3.29Å; F392-P405 VanDerWaalsContact O-CA 3.27Å; F392-P405 WeakPolarHBondContact O-CA 3.35Å; F392-K406 HydrophobicContact CD1-CB 3.95Å; F392-K406 VanDerWaalsContact CD1-O 3.22Å; F392-K406 WeakPolarHBondContact CD1-O 3.15Å; F392-K406 HydrophobicContact CE1-CB 3.36Å; F392-K406 HydrophobicContact CZ-CB 3.7Å; F392-K406 HydrophobicContact CZ-CD 4.1Å; F392-K406 PolarHBondContact N-O 3.32Å; F392-K406 PolarHBondContact O-N 3.07Å; F392-N407 WeakPolarHBondContact CE1-O 3.3Å; F392-L408 HydrophobicContact CD1-CD2 4.36Å; F392-I411 HydrophobicContact CE1-CG2 4Å; F392-I411 HydrophobicContact CE2-CG2 4.18Å; F392-I411 HydrophobicContact CZ-CG2 3.52Å |
| 393 | W | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.8 | 175.9 | -69.1 | -109.3 | 0 | 0 | 0 | 108.4 | F365 I367 V385 F386 I388 Q391 F395 P405 | F365-W393 AromaticContact CD1-CD2 3.75Å; F365-W393 HydrophobicContact CD1-CD2 3.75Å; F365-W393 AromaticContact CD1-CE2 3.83Å; F365-W393 HydrophobicContact CD1-CE3 4.19Å; F365-W393 AromaticContact CD1-CG 3.95Å; F365-W393 HydrophobicContact CD1-CG 3.95Å; F365-W393 HydrophobicContact CD1-CZ2 4.38Å; F365-W393 HydrophobicContact CE1-CB 4.38Å; F365-W393 AromaticContact CE1-CD2 3.99Å; F365-W393 HydrophobicContact CE1-CD2 3.99Å; F365-W393 HydrophobicContact CE1-CE3 4.12Å; F365-W393 HydrophobicContact CE1-CG 4.13Å; F365-W393 PolarHBondContact O-NE1 3.33Å; I367-W393 HydrophobicContact CD1-CH2 3.62Å; I367-W393 HydrophobicContact CD1-CZ2 3.71Å; I367-W393 HydrophobicContact CG1-CH2 4.43Å; I367-W393 HydrophobicContact CG1-CZ2 4.02Å; I367-W393 HydrophobicContact CG2-CZ2 4.23Å; V385-W393 CarbonylContact C-O 3.59Å; V385-W393 VanDerWaalsContact CA-O 3.26Å; V385-W393 WeakPolarHBondContact CA-O 3.38Å; F386-W393 PolarHBondContact N-O 2.79Å; F386-W393 PolarHBondContact O-N 2.94Å; I388-W393 HydrophobicContact CB-CH2 4.25Å; I388-W393 HydrophobicContact CB-CZ3 3.74Å; I388-W393 HydrophobicContact CD1-CE3 4.35Å; I388-W393 HydrophobicContact CD1-CH2 4.25Å; I388-W393 HydrophobicContact CD1-CZ3 3.93Å; I388-W393 HydrophobicContact CG1-CE3 4.47Å; I388-W393 HydrophobicContact CG1-CZ3 3.96Å; Q391-W393 HydrophobicContact CB-CH2 3.71Å; Q391-W393 HydrophobicContact CB-CZ3 3.64Å; W393-F395 HydrophobicContact CB-CD2 3.98Å; W393-F395 HydrophobicContact CB-CE2 3.41Å; W393-F395 VanDerWaalsContact CB-CE2 3.41Å; W393-F395 HydrophobicContact CB-CZ 4.36Å; W393-F395 HydrophobicContact CG-CE2 4.16Å; W393-P405 HydrophobicContact CD2-CB 3.86Å; W393-P405 VanDerWaalsContact CE2-CB 3.45Å; W393-P405 HydrophobicContact CE3-CB 4.28Å; W393-P405 HydrophobicContact CG-CB 4.42Å; W393-P405 HydrophobicContact CH2-CB 3.89Å; W393-P405 HydrophobicContact CH2-CG 4.27Å; W393-P405 HydrophobicContact CZ2-CB 3.5Å; W393-P405 HydrophobicContact CZ2-CG 3.58Å; W393-P405 HydrophobicContact CZ3-CB 4.25Å |
| 394 | E | 94.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.3 | 170.5 | -170.2 | 176.7 | -144.3 | 0 | 0 | 109 | R378 R383 V385 L401 Y404 | R378-E394 WeakPolarHBondContact CD-OE1 3.18Å; R378-E394 IonicContact CZ-OE1 2.79Å; R378-E394 IonicContact NE-OE1 2.68Å; R378-E394 IonicContact NH1-OE1 2.56Å; R378-E394 PolarHBondContact NH1-OE1 2.74Å; R378-E394 IonicContact NH1-OE2 3.18Å; R383-E394 HydrophobicContact CB-CG 3.92Å; R383-E394 WeakPolarHBondContact CD-OE1 3.12Å; R383-E394 HydrophobicContact CG-CG 4.34Å; R383-E394 IonicContact CZ-OE2 3.49Å; R383-E394 IonicContact NE-OE1 3.38Å; R383-E394 IonicContact NH1-OE1 3.42Å; R383-E394 PolarHBondContact NH1-OE1 3.3Å; R383-E394 IonicContact NH1-OE2 2.63Å; R383-E394 PolarHBondContact NH1-OE2 3.35Å; V385-E394 HydrophobicContact CG2-CB 4.34Å; V385-E394 HydrophobicContact CG2-CG 4.05Å; E394-L401 HydrophobicContact CB-CD1 4.18Å; E394-L401 HydrophobicContact CG-CD1 3.82Å; E394-L401 WeakPolarHBondContact O-CB 3.22Å; E394-L401 PolarHBondContact O-N 2.96Å; E394-L401 VanDerWaalsContact OE2-CD1 3.3Å; E394-L401 WeakPolarHBondContact OE2-CD1 3.41Å; E394-Y404 HydrophobicContact CB-CD1 4.27Å; E394-Y404 HydrophobicContact CB-CD2 4.17Å; E394-Y404 HydrophobicContact CB-CE1 3.66Å; E394-Y404 HydrophobicContact CB-CE2 3.57Å; E394-Y404 HydrophobicContact CB-CG 4.48Å; E394-Y404 WeakPolarHBondContact CB-OH 3.48Å; E394-Y404 PolarHBondContact OE2-OH 3.07Å |
| 395 | F | 90.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.8 | -179.5 | -74.6 | -107.1 | 0 | 0 | 0 | 109.8 | W362 Y363 F365 R383 T384 F386 W393 V399 A400 | W362-F395 HydrophobicContact CB-CD1 4.4Å; W362-F395 HydrophobicContact CB-CE1 3.84Å; W362-F395 HydrophobicContact CB-CZ 4.24Å; W362-F395 HydrophobicContact CE3-CB 4.06Å; W362-F395 AromaticContact CE3-CD1 3.66Å; W362-F395 HydrophobicContact CE3-CD1 3.66Å; W362-F395 HydrophobicContact CE3-CE1 4.23Å; W362-F395 AromaticContact CE3-CG 3.86Å; W362-F395 HydrophobicContact CE3-CG 3.86Å; W362-F395 HydrophobicContact CZ3-CB 3.95Å; W362-F395 HydrophobicContact CZ3-CD1 4.39Å; W362-F395 HydrophobicContact CZ3-CG 4.25Å; Y363-F395 WeakPolarHBondContact O-CE1 3.24Å; F365-F395 HydrophobicContact CD1-CE2 4.49Å; F365-F395 HydrophobicContact CD1-CZ 4.35Å; F365-F395 HydrophobicContact CD2-CE1 4.35Å; F365-F395 HydrophobicContact CD2-CE2 4.25Å; F365-F395 AromaticContact CD2-CZ 3.51Å; F365-F395 HydrophobicContact CD2-CZ 3.51Å; F365-F395 HydrophobicContact CE1-CE2 4.09Å; F365-F395 HydrophobicContact CE1-CZ 4.28Å; F365-F395 HydrophobicContact CE2-CE1 4.31Å; F365-F395 AromaticContact CE2-CE2 3.83Å; F365-F395 HydrophobicContact CE2-CE2 3.83Å; F365-F395 AromaticContact CE2-CZ 3.44Å; F365-F395 HydrophobicContact CE2-CZ 3.44Å; F365-F395 VanDerWaalsContact CE2-CZ 3.44Å; F365-F395 AromaticContact CG-CZ 4Å; F365-F395 HydrophobicContact CG-CZ 4Å; F365-F395 AromaticContact CZ-CE2 3.75Å; F365-F395 HydrophobicContact CZ-CE2 3.75Å; F365-F395 AromaticContact CZ-CZ 3.85Å; F365-F395 HydrophobicContact CZ-CZ 3.85Å; R383-F395 CarbonylContact C-O 3.5Å; R383-F395 WeakPolarHBondContact CA-O 2.84Å; T384-F395 PolarHBondContact N-O 3.11Å; T384-F395 PolarHBondContact O-N 2.93Å; F386-F395 AromaticContact CD2-CD2 3.51Å; F386-F395 HydrophobicContact CD2-CD2 3.51Å; F386-F395 AromaticContact CD2-CE2 3.68Å; F386-F395 HydrophobicContact CD2-CE2 3.68Å; F386-F395 HydrophobicContact CD2-CG 4.37Å; F386-F395 AromaticContact CE2-CD2 3.87Å; F386-F395 HydrophobicContact CE2-CD2 3.87Å; F386-F395 HydrophobicContact CE2-CE2 4.2Å; F386-F395 HydrophobicContact CE2-CG 4.3Å; F386-F395 HydrophobicContact CG-CE2 4.48Å; W393-F395 HydrophobicContact CB-CD2 3.98Å; W393-F395 HydrophobicContact CB-CE2 3.41Å; W393-F395 VanDerWaalsContact CB-CE2 3.41Å; W393-F395 HydrophobicContact CB-CZ 4.36Å; W393-F395 HydrophobicContact CG-CE2 4.16Å; F395-V399 CarbonylContact C-O 3.52Å; F395-V399 VanDerWaalsContact CA-O 3.29Å; F395-V399 WeakPolarHBondContact CA-O 3.48Å; F395-A400 HydrophobicContact CD1-CB 4.04Å; F395-A400 HydrophobicContact CD2-CB 4.5Å; F395-A400 HydrophobicContact CE1-CB 3.67Å; F395-A400 HydrophobicContact CE2-CB 4.2Å; F395-A400 HydrophobicContact CG-CB 4.43Å; F395-A400 HydrophobicContact CZ-CB 3.75Å |
| 396 | T | 85.8 | Confident | 91.5 | Very high | 59 Ų | 59 | 38.3 Ų | 38.3 | 36% | 0.362 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.1 | 160.7 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | N398 V399 L401 | T396-N398 PolarHBondContact O-N 3.04Å; T396-V399 PolarHBondContact N-O 3.38Å; T396-V399 PolarHBondContact O-N 2.8Å; T396-L401 HydrophobicContact CG2-CD2 3.63Å; T396-L401 HydrophobicContact CG2-CG 4.48Å |
| 397 | A | 78.7 | Confident | 91.5 | Very high | 30 Ų | 30 | 42 Ų | 42 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -101.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R331 W362 | R331-A397 VanDerWaalsContact NH2-CB 3.35Å; W362-A397 WeakPolarHBondContact CH2-O 3.22Å; W362-A397 WeakPolarHBondContact CZ3-O 3.45Å |
| 398 | N | 83.4 | Confident | 91.5 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 20.8 | 179 | 71.2 | -45.5 | 0 | 0 | 0 | 111.5 | F361 W362 Y363 T396 | F361-N398 HydrophobicContact CD1-CB 4.37Å; F361-N398 HydrophobicContact CE1-CB 4.2Å; F361-N398 WeakPolarHBondContact O-CB 3.15Å; F361-N398 PolarHBondContact O-ND2 2.89Å; W362-N398 CarbonylContact C-O 3.01Å; W362-N398 HydrophobicContact CE3-CB 4.21Å; W362-N398 HydrophobicContact CZ3-CB 4.48Å; Y363-N398 WeakPolarHBondContact CD2-ND2 2.87Å; Y363-N398 WeakPolarHBondContact CE2-ND2 3.14Å; Y363-N398 PolarHBondContact N-O 3.22Å; T396-N398 PolarHBondContact O-N 3.04Å |
| 399 | V | 84.3 | Confident | 91.4 | Very high | 71 Ų | 71 | 43.7 Ų | 43.7 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.7 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | Y363 F395 T396 | Y363-V399 HydrophobicContact CD2-CG2 4.27Å; Y363-V399 CarbonylContact O-C 3.42Å; Y363-V399 WeakPolarHBondContact O-CA 3.07Å; F395-V399 CarbonylContact C-O 3.52Å; F395-V399 VanDerWaalsContact CA-O 3.29Å; F395-V399 WeakPolarHBondContact CA-O 3.48Å; T396-V399 PolarHBondContact N-O 3.38Å; T396-V399 PolarHBondContact O-N 2.8Å |
| 400 | A | 86.9 | Confident | 91.4 | Very high | 17 Ų | 17 | 46.7 Ų | 46.7 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 136.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y363 G364 F395 | Y363-A400 PolarHBondContact O-N 2.54Å; G364-A400 WeakPolarHBondContact O-CB 3.5Å; F395-A400 HydrophobicContact CD1-CB 4.04Å; F395-A400 HydrophobicContact CD2-CB 4.5Å; F395-A400 HydrophobicContact CE1-CB 3.67Å; F395-A400 HydrophobicContact CE2-CB 4.2Å; F395-A400 HydrophobicContact CG-CB 4.43Å; F395-A400 HydrophobicContact CZ-CB 3.75Å |
| 401 | L | 90.2 | Very high | 91.3 | Very high | 36 Ų | 36 | 42 Ų | 42 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 150.2 | 175.6 | -70.5 | 176.8 | 0 | 0 | 0 | 110.4 | E394 T396 Y404 | E394-L401 HydrophobicContact CB-CD1 4.18Å; E394-L401 HydrophobicContact CG-CD1 3.82Å; E394-L401 WeakPolarHBondContact O-CB 3.22Å; E394-L401 PolarHBondContact O-N 2.96Å; E394-L401 VanDerWaalsContact OE2-CD1 3.3Å; E394-L401 WeakPolarHBondContact OE2-CD1 3.41Å; T396-L401 HydrophobicContact CG2-CD2 3.63Å; T396-L401 HydrophobicContact CG2-CG 4.48Å; L401-Y404 HydrophobicContact CB-CD2 3.72Å; L401-Y404 HydrophobicContact CB-CE2 3.81Å; L401-Y404 HydrophobicContact CD1-CE2 4.43Å; L401-Y404 WeakPolarHBondContact O-CD2 3.34Å |
| 402 | P | 89.2 | Confident | 91 | Very high | 126 Ų | 126 | 39.8 Ų | 39.8 | 82% | 0.818 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 141.7 | 172.8 | -22.9 | 33.6 | 0 | 0 | 0 | 111.7 | ||
| 403 | G | 88.4 | Confident | 90.9 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | 5.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K406 | G403-K406 WeakPolarHBondContact O-CG 3.36Š|
| 404 | Y | 92 | Very high | 90.7 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | trans | -101.7 | 152.4 | 171.6 | -71.5 | -84.7 | 0 | 0 | 0 | 111.7 | F392 E394 L401 K406 | F392-Y404 HydrophobicContact CD2-CD1 4.4Å; F392-Y404 AromaticContact CD2-CE1 3.79Å; F392-Y404 HydrophobicContact CD2-CE1 3.79Å; F392-Y404 HydrophobicContact CE2-CD1 4.41Å; F392-Y404 AromaticContact CE2-CE1 3.45Å; F392-Y404 HydrophobicContact CE2-CE1 3.45Å; F392-Y404 VanDerWaalsContact CE2-CE1 3.45Å; F392-Y404 AromaticContact CZ-CE1 3.97Å; F392-Y404 HydrophobicContact CZ-CE1 3.97Å; F392-Y404 VanDerWaalsContact O-CD1 3.31Å; F392-Y404 WeakPolarHBondContact O-CD1 3.29Å; E394-Y404 HydrophobicContact CB-CD1 4.27Å; E394-Y404 HydrophobicContact CB-CD2 4.17Å; E394-Y404 HydrophobicContact CB-CE1 3.66Å; E394-Y404 HydrophobicContact CB-CE2 3.57Å; E394-Y404 HydrophobicContact CB-CG 4.48Å; E394-Y404 WeakPolarHBondContact CB-OH 3.48Å; E394-Y404 PolarHBondContact OE2-OH 3.07Å; L401-Y404 HydrophobicContact CB-CD2 3.72Å; L401-Y404 HydrophobicContact CB-CE2 3.81Å; L401-Y404 HydrophobicContact CD1-CE2 4.43Å; L401-Y404 WeakPolarHBondContact O-CD2 3.34Å; Y404-K406 HydrophobicContact CD1-CB 4.12Å; Y404-K406 HydrophobicContact CD1-CD 4.1Å; Y404-K406 HydrophobicContact CD1-CG 3.88Å; Y404-K406 HydrophobicContact CE1-CB 4.13Å; Y404-K406 HydrophobicContact CE1-CD 3.62Å; Y404-K406 HydrophobicContact CE1-CG 3.9Å | ||
| 405 | P | 95.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | S | Bend | cis | -68.2 | 154 | -0 | 23.4 | -29.3 | 0 | 0 | 0 | 114.3 | Q391 F392 W393 | Q391-P405 HydrophobicContact CB-CB 3.93Å; Q391-P405 HydrophobicContact CG-CB 4.24Å; F392-P405 VanDerWaalsContact O-CA 3.27Å; F392-P405 WeakPolarHBondContact O-CA 3.35Å; W393-P405 HydrophobicContact CD2-CB 3.86Å; W393-P405 VanDerWaalsContact CE2-CB 3.45Å; W393-P405 HydrophobicContact CE3-CB 4.28Å; W393-P405 HydrophobicContact CG-CB 4.42Å; W393-P405 HydrophobicContact CH2-CB 3.89Å; W393-P405 HydrophobicContact CH2-CG 4.27Å; W393-P405 HydrophobicContact CZ2-CB 3.5Å; W393-P405 HydrophobicContact CZ2-CG 3.58Å; W393-P405 HydrophobicContact CZ3-CB 4.25Å |
| 406 | K | 95.2 | Very high | 90.7 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 154.6 | 171.1 | -74.5 | -178.2 | 165 | -122 | 0 | 110.2 | Q391 F392 G403 Y404 E410 | Q391-K406 CarbonylContact C-O 3.59Å; Q391-K406 VanDerWaalsContact CA-O 3.29Å; Q391-K406 WeakPolarHBondContact CA-O 2.82Å; F392-K406 HydrophobicContact CD1-CB 3.95Å; F392-K406 VanDerWaalsContact CD1-O 3.22Å; F392-K406 WeakPolarHBondContact CD1-O 3.15Å; F392-K406 HydrophobicContact CE1-CB 3.36Å; F392-K406 HydrophobicContact CZ-CB 3.7Å; F392-K406 HydrophobicContact CZ-CD 4.1Å; F392-K406 PolarHBondContact N-O 3.32Å; F392-K406 PolarHBondContact O-N 3.07Å; G403-K406 WeakPolarHBondContact O-CG 3.36Å; Y404-K406 HydrophobicContact CD1-CB 4.12Å; Y404-K406 HydrophobicContact CD1-CD 4.1Å; Y404-K406 HydrophobicContact CD1-CG 3.88Å; Y404-K406 HydrophobicContact CE1-CB 4.13Å; Y404-K406 HydrophobicContact CE1-CD 3.62Å; Y404-K406 HydrophobicContact CE1-CG 3.9Å; K406-E410 WeakPolarHBondContact CA-OE1 3.08Å; K406-E410 VanDerWaalsContact CB-OE1 3.3Å; K406-E410 WeakPolarHBondContact CB-OE1 2.86Å; K406-E410 WeakPolarHBondContact CD-OE2 3.08Å; K406-E410 WeakPolarHBondContact CE-OE2 3.04Å; K406-E410 WeakPolarHBondContact CG-OE1 3.24Å; K406-E410 WeakPolarHBondContact CG-OE2 3.06Å; K406-E410 IonicContact NZ-OE2 2.63Å; K406-E410 PolarHBondContact NZ-OE2 2.95Å |
| 407 | N | 96.4 | Very high | 91.1 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 148 | 176.7 | -73.2 | -35.5 | 0 | 0 | 0 | 111.1 | R390 F392 T409 E410 | R390-N407 WeakPolarHBondContact O-CA 3.04Å; F392-N407 WeakPolarHBondContact CE1-O 3.3Å; N407-T409 PolarHBondContact O-N 2.87Å; N407-E410 PolarHBondContact N-OE1 3.47Å; N407-E410 VanDerWaalsContact O-CB 3.31Å; N407-E410 WeakPolarHBondContact O-CB 3.31Å; N407-E410 PolarHBondContact O-N 3.28Å |
| 408 | L | 96.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -54.4 | -27.8 | 176.7 | -66.2 | -176.1 | 0 | 0 | 0 | 113.5 | F387 R390 F392 E410 I411 L413 V417 I420 | F387-L408 HydrophobicContact CD1-CD2 3.64Å; F387-L408 HydrophobicContact CE1-CD2 3.79Å; R390-L408 WeakPolarHBondContact O-CG 3.28Å; R390-L408 PolarHBondContact O-N 3.21Å; F392-L408 HydrophobicContact CD1-CD2 4.36Å; L408-E410 PolarHBondContact O-N 3.25Å; L408-I411 WeakPolarHBondContact O-CG1 3.5Å; L408-I411 PolarHBondContact O-N 2.94Å; L408-L413 HydrophobicContact CB-CB 4.15Å; L408-L413 HydrophobicContact CB-CD1 3.95Å; L408-L413 HydrophobicContact CD1-CD1 4.29Å; L408-L413 HydrophobicContact CD2-CD1 4.11Å; L408-L413 HydrophobicContact CG-CD1 4.32Å; L408-L413 WeakPolarHBondContact O-CB 3.5Å; L408-L413 PolarHBondContact O-N 3.39Å; L408-V417 HydrophobicContact CD1-CG1 3.93Å; L408-I420 HydrophobicContact CD1-CD1 4.45Å; L408-I420 HydrophobicContact CD1-CG1 4.22Å; L408-I420 HydrophobicContact CD2-CG1 4.17Å |
| 409 | T | 94.4 | Very high | 92.5 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -62.6 | -25.8 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | N407 I411 G412 L413 D415 | N407-T409 PolarHBondContact O-N 2.87Å; T409-I411 PolarHBondContact O-N 2.76Å; T409-G412 PolarHBondContact O-N 2.72Å; T409-G412 VanDerWaalsContact O-N 3.12Å; T409-L413 WeakPolarHBondContact CA-O 3.46Å; T409-D415 WeakPolarHBondContact CG2-OD1 3.31Å |
| 410 | E | 94.3 | Very high | 93 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -68.5 | -22.7 | 179.2 | -68.3 | -173.5 | -128 | 0 | 0 | 113.1 | K406 N407 L408 | K406-E410 WeakPolarHBondContact CA-OE1 3.08Å; K406-E410 VanDerWaalsContact CB-OE1 3.3Å; K406-E410 WeakPolarHBondContact CB-OE1 2.86Å; K406-E410 WeakPolarHBondContact CD-OE2 3.08Å; K406-E410 WeakPolarHBondContact CE-OE2 3.04Å; K406-E410 WeakPolarHBondContact CG-OE1 3.24Å; K406-E410 WeakPolarHBondContact CG-OE2 3.06Å; K406-E410 IonicContact NZ-OE2 2.63Å; K406-E410 PolarHBondContact NZ-OE2 2.95Å; N407-E410 PolarHBondContact N-OE1 3.47Å; N407-E410 VanDerWaalsContact O-CB 3.31Å; N407-E410 WeakPolarHBondContact O-CB 3.31Å; N407-E410 PolarHBondContact O-N 3.28Å; L408-E410 PolarHBondContact O-N 3.25Å |
| 411 | I | 93.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -96.8 | 1.5 | 174.7 | 55.4 | 171.3 | 0 | 0 | 0 | 112.5 | F387 F392 L408 T409 L413 F434 F443 F449 I450 | F387-I411 HydrophobicContact CE1-CD1 4.24Å; F392-I411 HydrophobicContact CE1-CG2 4Å; F392-I411 HydrophobicContact CE2-CG2 4.18Å; F392-I411 HydrophobicContact CZ-CG2 3.52Å; L408-I411 WeakPolarHBondContact O-CG1 3.5Å; L408-I411 PolarHBondContact O-N 2.94Å; T409-I411 PolarHBondContact O-N 2.76Å; I411-L413 HydrophobicContact CD1-CD1 3.83Å; I411-L413 HydrophobicContact CD1-CG 4.43Å; I411-L413 HydrophobicContact CG1-CD1 4.16Å; I411-L413 HydrophobicContact CG1-CG 4.34Å; I411-F434 HydrophobicContact CD1-CD2 4.44Å; I411-F434 HydrophobicContact CD1-CE2 3.83Å; I411-F434 HydrophobicContact CD1-CZ 4.45Å; I411-F443 HydrophobicContact CB-CD2 4.39Å; I411-F443 HydrophobicContact CB-CE2 3.76Å; I411-F443 HydrophobicContact CG2-CE2 3.99Å; I411-F443 HydrophobicContact CG2-CZ 4.33Å; I411-F449 CarbonylContact O-C 3.57Å; I411-F449 WeakPolarHBondContact O-CA 3.36Å; I411-I450 VanDerWaalsContact O-CG1 3.27Å; I411-I450 WeakPolarHBondContact O-CG1 3.22Å; I411-I450 PolarHBondContact O-N 3.39Å |
| 412 | G | 91 | Very high | 93.2 | Very high | 22 Ų | 22 | 53 Ų | 53 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 11.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T409 F449 | T409-G412 PolarHBondContact O-N 2.72Å; T409-G412 VanDerWaalsContact O-N 3.12Å; G412-F449 VanDerWaalsContact CA-CE2 3.41Å |
| 413 | L | 93.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | trans | -76.8 | 143.2 | 170.5 | -68.1 | 167 | 0 | 0 | 0 | 110.5 | L408 T409 I411 I420 F434 W441 I450 | L408-L413 HydrophobicContact CB-CB 4.15Å; L408-L413 HydrophobicContact CB-CD1 3.95Å; L408-L413 HydrophobicContact CD1-CD1 4.29Å; L408-L413 HydrophobicContact CD2-CD1 4.11Å; L408-L413 HydrophobicContact CG-CD1 4.32Å; L408-L413 WeakPolarHBondContact O-CB 3.5Å; L408-L413 PolarHBondContact O-N 3.39Å; T409-L413 WeakPolarHBondContact CA-O 3.46Å; I411-L413 HydrophobicContact CD1-CD1 3.83Å; I411-L413 HydrophobicContact CD1-CG 4.43Å; I411-L413 HydrophobicContact CG1-CD1 4.16Å; I411-L413 HydrophobicContact CG1-CG 4.34Å; L413-I420 HydrophobicContact CD1-CD1 3.63Å; L413-I420 HydrophobicContact CD1-CG1 4.32Å; L413-F434 HydrophobicContact CD1-CD2 4.46Å; L413-W441 HydrophobicContact CD2-CB 4.12Å; L413-W441 HydrophobicContact CD2-CD2 3.49Å; L413-W441 VanDerWaalsContact CD2-CD2 3.49Å; L413-W441 HydrophobicContact CD2-CE3 4.05Å; L413-W441 HydrophobicContact CD2-CG 3.52Å; L413-I450 HydrophobicContact CD2-CD1 4.02Å; L413-I450 HydrophobicContact CD2-CG1 4.05Å; L413-I450 HydrophobicContact CG-CD1 4.34Å; L413-I450 HydrophobicContact CG-CG1 4.12Å | ||
| 414 | P | 91.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 34% | 0.344 | 24% | 0.241 | S | C | . | . | trans | -71.5 | 153.9 | -179.1 | 27.7 | -30.8 | 0 | 0 | 0 | 111.6 | S416 V417 W441 | P414-S416 PolarHBondContact O-N 3.04Å; P414-V417 HydrophobicContact CG-CG2 3.9Å; P414-V417 PolarHBondContact O-N 2.93Å; P414-W441 HydrophobicContact CG-CZ2 4.46Å | ||
| 415 | D | 91.1 | Very high | 93.2 | Very high | 109 Ų | 109 | 43.8 Ų | 43.8 | 58% | 0.583 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -14.7 | 179.1 | -84.3 | -48.9 | 0 | 0 | 0 | 115 | R390 T409 V417 | R390-D415 PolarHBondContact NH1-O 2.92Å; R390-D415 PolarHBondContact NH2-O 3.24Å; R390-D415 IonicContact NH2-OD1 3.46Å; R390-D415 PolarHBondContact NH2-OD1 3.39Å; T409-D415 WeakPolarHBondContact CG2-OD1 3.31Å; D415-V417 VanDerWaalsContact C-N 3.33Å |
| 416 | S | 93 | Very high | 92.3 | Very high | 94 Ų | 94 | 44.8 Ų | 44.8 | 66% | 0.657 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -15.6 | 175.3 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | P414 E418 | P414-S416 PolarHBondContact O-N 3.04Å; S416-E418 PolarHBondContact O-N 3.49Å |
| 417 | V | 94.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | trans | -81.1 | 113.7 | 178.3 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | L408 P414 D415 K419 I420 W441 | L408-V417 HydrophobicContact CD1-CG1 3.93Å; P414-V417 HydrophobicContact CG-CG2 3.9Å; P414-V417 PolarHBondContact O-N 2.93Å; D415-V417 VanDerWaalsContact C-N 3.33Å; V417-K419 WeakPolarHBondContact CG1-O 3.26Å; V417-I420 HydrophobicContact CG1-CD1 4.1Å; V417-W441 HydrophobicContact CG2-CH2 3.63Å; V417-W441 HydrophobicContact CG2-CZ2 3.53Å | ||
| 418 | E | 95.1 | Very high | 89.7 | Confident | 147 Ų | 147 | 50.3 Ų | 50.3 | 69% | 0.687 | 26% | 0.258 | S | S | * | . | trans | -85.7 | -30.3 | -177.4 | -63.9 | -174 | 169.5 | 0 | 0 | 113 | G389 R390 S416 | G389-E418 CarbonylContact C-O 3.47Å; G389-E418 WeakPolarHBondContact CA-O 3.37Å; R390-E418 WeakPolarHBondContact CG-O 3.45Å; R390-E418 PolarHBondContact N-O 2.89Å; S416-E418 PolarHBondContact O-N 3.49Å | ||
| 419 | K | 95.4 | Very high | 88.7 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | trans | -159.2 | 165.4 | 176.3 | 62.9 | 173.2 | 177.3 | 123.7 | 0 | 112.2 | G389 V417 D421 S436 | G389-K419 WeakPolarHBondContact O-CA 2.88Å; V417-K419 WeakPolarHBondContact CG1-O 3.26Å; K419-D421 WeakPolarHBondContact CE-OD1 3.41Å; K419-D421 IonicContact NZ-OD1 2.79Å; K419-D421 PolarHBondContact NZ-OD1 2.66Å; K419-S436 WeakPolarHBondContact O-CB 3.35Å; K419-S436 PolarHBondContact O-OG 3.46Å | ||
| 420 | I | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -102.4 | 117.5 | 170 | -62.1 | -55.6 | 0 | 0 | 0 | 108.1 | D373 A374 F387 L408 L413 V417 A422 A423 F434 F435 | D373-I420 VanDerWaalsContact CB-O 3.3Å; D373-I420 WeakPolarHBondContact CB-O 3.32Å; A374-I420 HydrophobicContact CB-CB 4.34Å; A374-I420 HydrophobicContact CB-CG2 3.81Å; A374-I420 WeakPolarHBondContact CB-O 3.22Å; F387-I420 HydrophobicContact CB-CB 4.25Å; F387-I420 HydrophobicContact CD1-CB 4.32Å; F387-I420 HydrophobicContact CD1-CG1 3.93Å; F387-I420 HydrophobicContact CD2-CB 4.46Å; F387-I420 HydrophobicContact CD2-CG2 4.38Å; F387-I420 HydrophobicContact CE1-CG1 4.19Å; F387-I420 HydrophobicContact CG-CB 4.11Å; F387-I420 HydrophobicContact CG-CG1 4.23Å; L408-I420 HydrophobicContact CD1-CD1 4.45Å; L408-I420 HydrophobicContact CD1-CG1 4.22Å; L408-I420 HydrophobicContact CD2-CG1 4.17Å; L413-I420 HydrophobicContact CD1-CD1 3.63Å; L413-I420 HydrophobicContact CD1-CG1 4.32Å; V417-I420 HydrophobicContact CG1-CD1 4.1Å; I420-A422 VanDerWaalsContact CG2-O 3.29Å; I420-A422 WeakPolarHBondContact CG2-O 3.12Å; I420-A423 HydrophobicContact CG2-CB 4.3Å; I420-F434 HydrophobicContact CD1-CB 3.92Å; I420-F434 HydrophobicContact CG2-CB 4.17Å; I420-F434 HydrophobicContact CG2-CD1 4.47Å; I420-F435 CarbonylContact C-O 3.57Å | ||
| 421 | D | 91.7 | Very high | 87.5 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -78.4 | -33.3 | -179.5 | -59.8 | -44.9 | 0 | 0 | 0 | 111.9 | K419 F435 S436 G437 V468 D469 | K419-D421 WeakPolarHBondContact CE-OD1 3.41Å; K419-D421 IonicContact NZ-OD1 2.79Å; K419-D421 PolarHBondContact NZ-OD1 2.66Å; D421-F435 PolarHBondContact N-O 3.41Å; D421-S436 VanDerWaalsContact OD2-CA 3.27Å; D421-S436 WeakPolarHBondContact OD2-CA 3.38Å; D421-G437 PolarHBondContact OD2-N 3Å; D421-V468 WeakPolarHBondContact CB-O 3.15Å; D421-D469 CarbonylContact O-C 3.59Å; D421-D469 VanDerWaalsContact O-O 3.1Å |
| 422 | A | 90.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 148.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | I420 F434 F435 V468 A471 | I420-A422 VanDerWaalsContact CG2-O 3.29Å; I420-A422 WeakPolarHBondContact CG2-O 3.12Å; A422-F434 CarbonylContact O-C 3.59Å; A422-F434 WeakPolarHBondContact O-CA 3.29Å; A422-F435 HydrophobicContact CB-CB 4.23Å; A422-F435 HydrophobicContact CB-CD2 4.32Å; A422-F435 PolarHBondContact N-O 3.01Å; A422-F435 PolarHBondContact O-N 3.36Å; A422-V468 HydrophobicContact CB-CB 4.43Å; A422-V468 HydrophobicContact CB-CG1 3.77Å; A422-A471 HydrophobicContact CB-CB 3.78Å |
| 423 | A | 92.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 130.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | A374 Y376 F387 I420 Y433 F434 A471 | A374-A423 HydrophobicContact CB-CB 4.15Å; Y376-A423 HydrophobicContact CD1-CB 3.83Å; Y376-A423 HydrophobicContact CG-CB 4.14Å; F387-A423 HydrophobicContact CD2-CB 4.39Å; F387-A423 HydrophobicContact CE2-CB 3.99Å; I420-A423 HydrophobicContact CG2-CB 4.3Å; A423-Y433 VanDerWaalsContact CA-O 3.31Å; A423-Y433 WeakPolarHBondContact CA-O 3.39Å; A423-F434 HydrophobicContact CB-CD1 3.66Å; A423-F434 HydrophobicContact CB-CE1 3.97Å; A423-A471 VanDerWaalsContact O-O 3.1Å |
| 424 | F | 88.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 154.3 | 173.1 | 80.5 | -86.6 | 0 | 0 | 0 | 113.1 | W426 T432 Y433 F435 W461 A471 L481 | F424-W426 HydrophobicContact CD2-CB 4.45Å; F424-W426 HydrophobicContact CE2-CB 3.75Å; F424-W426 HydrophobicContact CE2-CG 4.16Å; F424-T432 CarbonylContact O-C 3.56Å; F424-T432 WeakPolarHBondContact O-CA 3.13Å; F424-Y433 PolarHBondContact N-O 3.33Å; F424-Y433 PolarHBondContact O-N 3.43Å; F424-F435 HydrophobicContact CD1-CD2 4.45Å; F424-F435 AromaticContact CD1-CE2 3.62Å; F424-F435 HydrophobicContact CD1-CE2 3.62Å; F424-F435 HydrophobicContact CD1-CZ 4.35Å; F424-F435 HydrophobicContact CE1-CD2 4.48Å; F424-F435 AromaticContact CE1-CE2 3.33Å; F424-F435 HydrophobicContact CE1-CE2 3.33Å; F424-F435 AromaticContact CE1-CZ 3.61Å; F424-F435 HydrophobicContact CE1-CZ 3.61Å; F424-W461 AromaticContact CZ-CH2 3.94Å; F424-W461 HydrophobicContact CZ-CH2 3.94Å; F424-W461 HydrophobicContact CZ-CZ3 4.19Å; F424-A471 HydrophobicContact CB-CB 4.01Å; F424-A471 WeakPolarHBondContact CB-O 3.38Å; F424-A471 HydrophobicContact CD1-CB 3.48Å; F424-A471 VanDerWaalsContact CD1-CB 3.48Å; F424-A471 HydrophobicContact CE1-CB 4.28Å; F424-A471 HydrophobicContact CG-CB 4.06Å; F424-L481 HydrophobicContact CD1-CD2 4.46Å; F424-L481 HydrophobicContact CE1-CD2 4.06Å |
| 425 | V | 87.5 | Confident | 87.5 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.2 | 170.1 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | Y376 E377 P379 T473 | Y376-V425 HydrophobicContact CD2-CG2 3.87Å; Y376-V425 HydrophobicContact CE2-CG2 4.42Å; E377-V425 VanDerWaalsContact O-CG2 3.26Å; E377-V425 WeakPolarHBondContact O-CG2 3.17Å; P379-V425 HydrophobicContact CB-CG1 4.24Å; P379-V425 HydrophobicContact CG-CG1 4.11Å; V425-T473 PolarHBondContact O-OG1 3.07Å |
| 426 | W | 76.5 | Confident | 87.6 | Confident | 64 Ų | 64 | 42 Ų | 42 | 24% | 0.242 | 21% | 0.212 | C | C | . | . | trans | -84.3 | 119 | 176.2 | -168.7 | 12.7 | 0 | 0 | 0 | 110.5 | F424 Y428 N429 G430 K431 Y433 W461 | F424-W426 HydrophobicContact CD2-CB 4.45Å; F424-W426 HydrophobicContact CE2-CB 3.75Å; F424-W426 HydrophobicContact CE2-CG 4.16Å; W426-Y428 PolarHBondContact O-N 3.12Å; W426-N429 PolarHBondContact O-N 3.2Å; W426-N429 PolarHBondContact O-OD1 3.12Å; W426-G430 VanDerWaalsContact O-CA 3.25Å; W426-G430 WeakPolarHBondContact O-CA 2.77Å; W426-G430 PolarHBondContact O-N 3.44Å; W426-K431 PolarHBondContact N-O 2.77Å; W426-Y433 HydrophobicContact CB-CD2 3.85Å; W426-Y433 HydrophobicContact CB-CE2 3.6Å; W426-Y433 HydrophobicContact CD2-CE2 4.29Å; W426-Y433 AromaticContact CE3-CE2 3.6Å; W426-Y433 HydrophobicContact CE3-CE2 3.6Å; W426-Y433 AromaticContact CE3-CZ 3.57Å; W426-Y433 VanDerWaalsContact CE3-OH 3.22Å; W426-Y433 HydrophobicContact CG-CE2 4.36Å; W426-Y433 WeakPolarHBondContact CZ3-OH 3.31Å; W426-W461 HydrophobicContact CD2-CH2 4.22Å; W426-W461 AromaticContact CE3-CH2 3.89Å; W426-W461 HydrophobicContact CE3-CH2 3.89Å; W426-W461 HydrophobicContact CE3-CZ3 4.49Å; W426-W461 HydrophobicContact CH2-CH2 4.39Å; W426-W461 HydrophobicContact CH2-CZ3 4.41Å; W426-W461 HydrophobicContact CZ2-CZ3 4.45Å; W426-W461 AromaticContact CZ3-CH2 3.97Å; W426-W461 HydrophobicContact CZ3-CH2 3.97Å; W426-W461 HydrophobicContact CZ3-CZ3 4.43Å | ||
| 427 | D | 69.4 | Low | 87.5 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 32% | 0.316 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -32.1 | -177.8 | -69.7 | -43.7 | 0 | 0 | 0 | 115 | R66 N429 T473 | R66-D427 WeakPolarHBondContact CD-OD1 3.5Å; R66-D427 IonicContact CZ-OD1 2.87Å; R66-D427 IonicContact CZ-OD2 3.91Å; R66-D427 IonicContact NE-OD1 3.38Å; R66-D427 PolarHBondContact NE-OD1 2.93Å; R66-D427 IonicContact NE-OD2 3.25Å; R66-D427 PolarHBondContact NE-OD2 3.23Å; R66-D427 IonicContact NH1-OD1 3.28Å; R66-D427 PolarHBondContact NH1-OD1 2.72Å; R66-D427 IonicContact NH1-OD2 3.28Å; R66-D427 PolarHBondContact NH1-OD2 3.15Å; R66-D427 IonicContact NH2-OD1 3.13Å; R66-D427 IonicContact NH2-OD2 2.76Å; R66-D427 PolarHBondContact NH2-OD2 3.07Å; D427-N429 VanDerWaalsContact C-N 3.3Å; D427-N429 PolarHBondContact O-N 2.92Å; D427-T473 VanDerWaalsContact OD2-CG2 3.23Å; D427-T473 WeakPolarHBondContact OD2-CG2 3.28Å |
| 428 | Y | 66.3 | Low | 87.2 | Confident | 200 Ų | 200 | 42.1 Ų | 42.1 | 78% | 0.784 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -36.9 | -171.2 | -176.7 | -101.7 | 0 | 0 | 0 | 112 | W426 | W426-Y428 PolarHBondContact O-N 3.12Š|
| 429 | N | 76.3 | Confident | 86.9 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 32% | 0.316 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -0.8 | -179.6 | 64.1 | 7 | 0 | 0 | 0 | 113.7 | W426 D427 K431 Y433 | W426-N429 PolarHBondContact O-N 3.2Å; W426-N429 PolarHBondContact O-OD1 3.12Å; D427-N429 VanDerWaalsContact C-N 3.3Å; D427-N429 PolarHBondContact O-N 2.92Å; N429-K431 HydrophobicContact CB-CG 4.28Å; N429-K431 PolarHBondContact O-N 3.08Å; N429-K431 WeakPolarHBondContact OD1-CB 3.43Å; N429-K431 PolarHBondContact OD1-N 2.96Å; N429-Y433 PolarHBondContact ND2-OH 3.14Å |
| 430 | G | 79.1 | Confident | 86.8 | Confident | 30 Ų | 30 | 35 Ų | 35 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | trans | 66.3 | 9.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | W426 | W426-G430 VanDerWaalsContact O-CA 3.25Å; W426-G430 WeakPolarHBondContact O-CA 2.77Å; W426-G430 PolarHBondContact O-N 3.44Å | ||
| 431 | K | 84.5 | Confident | 86.8 | Confident | 49 Ų | 49 | 35.1 Ų | 35.1 | 21% | 0.213 | 18% | 0.18 | C | C | . | . | trans | -88.3 | 150.3 | -177.4 | -62 | -71.6 | -179.6 | 158 | 0 | 111 | W426 N429 Y433 R442 D444 E451 | W426-K431 PolarHBondContact N-O 2.77Å; N429-K431 HydrophobicContact CB-CG 4.28Å; N429-K431 PolarHBondContact O-N 3.08Å; N429-K431 WeakPolarHBondContact OD1-CB 3.43Å; N429-K431 PolarHBondContact OD1-N 2.96Å; K431-Y433 HydrophobicContact CB-CE2 3.88Å; K431-Y433 WeakPolarHBondContact O-CD2 3.28Å; K431-R442 HydrophobicContact CB-CG 3.8Å; K431-R442 HydrophobicContact CG-CG 4.3Å; K431-D444 VanDerWaalsContact NZ-CG 3.27Å; K431-D444 IonicContact NZ-OD1 2.71Å; K431-D444 PolarHBondContact NZ-OD1 3.33Å; K431-E451 VanDerWaalsContact CE-OE1 3.31Å; K431-E451 WeakPolarHBondContact CE-OE1 3.28Å; K431-E451 IonicContact NZ-OE1 3.95Å; K431-E451 PolarHBondContact NZ-OE1 2.82Å | ||
| 432 | T | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 141.6 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | Y376 F424 F434 R442 F443 E445 | Y376-T432 HydrophobicContact CD2-CG2 3.8Å; Y376-T432 HydrophobicContact CE1-CG2 4.34Å; Y376-T432 HydrophobicContact CE2-CG2 3.43Å; Y376-T432 VanDerWaalsContact CE2-CG2 3.43Å; Y376-T432 HydrophobicContact CG-CG2 4.39Å; F424-T432 CarbonylContact O-C 3.56Å; F424-T432 WeakPolarHBondContact O-CA 3.13Å; T432-F434 HydrophobicContact CG2-CD1 4.1Å; T432-F434 HydrophobicContact CG2-CE1 3.37Å; T432-F434 HydrophobicContact CG2-CZ 3.7Å; T432-R442 CarbonylContact O-C 3.48Å; T432-R442 WeakPolarHBondContact O-CA 3.46Å; T432-F443 HydrophobicContact CG2-CB 4.43Å; T432-F443 PolarHBondContact N-O 3.34Å; T432-F443 PolarHBondContact O-N 3.36Å; T432-E445 WeakPolarHBondContact CB-OE1 3.49Å; T432-E445 PolarHBondContact OG1-OE1 2.85Å |
| 433 | Y | 91.5 | Very high | 86.8 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.2 | -179.3 | -69.6 | -96.9 | 0 | 0 | 0 | 109.9 | A423 F424 W426 N429 K431 Y440 W441 R442 W461 | A423-Y433 VanDerWaalsContact CA-O 3.31Å; A423-Y433 WeakPolarHBondContact CA-O 3.39Å; F424-Y433 PolarHBondContact N-O 3.33Å; F424-Y433 PolarHBondContact O-N 3.43Å; W426-Y433 HydrophobicContact CB-CD2 3.85Å; W426-Y433 HydrophobicContact CB-CE2 3.6Å; W426-Y433 HydrophobicContact CD2-CE2 4.29Å; W426-Y433 AromaticContact CE3-CE2 3.6Å; W426-Y433 HydrophobicContact CE3-CE2 3.6Å; W426-Y433 AromaticContact CE3-CZ 3.57Å; W426-Y433 VanDerWaalsContact CE3-OH 3.22Å; W426-Y433 HydrophobicContact CG-CE2 4.36Å; W426-Y433 WeakPolarHBondContact CZ3-OH 3.31Å; N429-Y433 PolarHBondContact ND2-OH 3.14Å; K431-Y433 HydrophobicContact CB-CE2 3.88Å; K431-Y433 WeakPolarHBondContact O-CD2 3.28Å; Y433-Y440 AromaticContact CD1-CD2 3.73Å; Y433-Y440 HydrophobicContact CD1-CD2 3.73Å; Y433-Y440 AromaticContact CD1-CE2 3.79Å; Y433-Y440 HydrophobicContact CD1-CE2 3.79Å; Y433-Y440 HydrophobicContact CE1-CD2 4.25Å; Y433-Y440 AromaticContact CE1-CE2 3.82Å; Y433-Y440 HydrophobicContact CE1-CE2 3.82Å; Y433-W441 VanDerWaalsContact CA-O 3.29Å; Y433-W441 WeakPolarHBondContact CA-O 3.12Å; Y433-R442 HydrophobicContact CD1-CB 4.23Å; Y433-R442 HydrophobicContact CD1-CG 4.4Å; Y433-R442 HydrophobicContact CE1-CB 3.93Å; Y433-R442 HydrophobicContact CE1-CG 3.9Å; Y433-R442 HydrophobicContact CE2-CG 4.27Å; Y433-R442 VanDerWaalsContact CZ-CD 3.46Å; Y433-R442 WeakPolarHBondContact OH-CD 3.46Å; Y433-W461 HydrophobicContact CD1-CH2 4.3Å; Y433-W461 AromaticContact CD1-CZ2 3.71Å; Y433-W461 HydrophobicContact CD1-CZ2 3.71Å; Y433-W461 HydrophobicContact CE1-CH2 4.2Å; Y433-W461 AromaticContact CE1-CZ2 3.75Å; Y433-W461 HydrophobicContact CE1-CZ2 3.75Å; Y433-W461 HydrophobicContact CG-CZ2 4.27Å |
| 434 | F | 94.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.3 | 174.6 | -54.8 | -42.3 | 0 | 0 | 0 | 109.5 | Y376 F387 I411 L413 I420 A422 A423 T432 Y440 W441 F443 I450 | Y376-F434 HydrophobicContact CD1-CE1 4.04Å; Y376-F434 AromaticContact CE1-CE1 3.54Å; Y376-F434 HydrophobicContact CE1-CE1 3.54Å; Y376-F434 AromaticContact CE1-CZ 3.91Å; Y376-F434 HydrophobicContact CE1-CZ 3.91Å; Y376-F434 AromaticContact CZ-CE1 3.91Å; Y376-F434 AromaticContact CZ-CZ 3.98Å; F387-F434 HydrophobicContact CE2-CD1 4.33Å; F387-F434 AromaticContact CE2-CE1 3.94Å; F387-F434 HydrophobicContact CE2-CE1 3.94Å; F387-F434 HydrophobicContact CZ-CD1 4.23Å; F387-F434 AromaticContact CZ-CE1 3.71Å; F387-F434 HydrophobicContact CZ-CE1 3.71Å; F387-F434 AromaticContact CZ-CZ 3.92Å; F387-F434 HydrophobicContact CZ-CZ 3.92Å; I411-F434 HydrophobicContact CD1-CD2 4.44Å; I411-F434 HydrophobicContact CD1-CE2 3.83Å; I411-F434 HydrophobicContact CD1-CZ 4.45Å; L413-F434 HydrophobicContact CD1-CD2 4.46Å; I420-F434 HydrophobicContact CD1-CB 3.92Å; I420-F434 HydrophobicContact CG2-CB 4.17Å; I420-F434 HydrophobicContact CG2-CD1 4.47Å; A422-F434 CarbonylContact O-C 3.59Å; A422-F434 WeakPolarHBondContact O-CA 3.29Å; A423-F434 HydrophobicContact CB-CD1 3.66Å; A423-F434 HydrophobicContact CB-CE1 3.97Å; T432-F434 HydrophobicContact CG2-CD1 4.1Å; T432-F434 HydrophobicContact CG2-CE1 3.37Å; T432-F434 HydrophobicContact CG2-CZ 3.7Å; F434-Y440 CarbonylContact O-C 3.58Å; F434-Y440 WeakPolarHBondContact O-CA 3.38Å; F434-Y440 WeakPolarHBondContact O-CB 3.4Å; F434-W441 PolarHBondContact N-O 3.22Å; F434-W441 PolarHBondContact O-N 3.39Å; F434-F443 HydrophobicContact CD2-CB 4.09Å; F434-F443 HydrophobicContact CE2-CB 3.46Å; F434-F443 VanDerWaalsContact CE2-CB 3.46Å; F434-F443 HydrophobicContact CE2-CD1 4.31Å; F434-F443 AromaticContact CE2-CD2 3.83Å; F434-F443 HydrophobicContact CE2-CD2 3.83Å; F434-F443 AromaticContact CE2-CG 3.61Å; F434-F443 HydrophobicContact CE2-CG 3.61Å; F434-F443 HydrophobicContact CZ-CB 3.9Å; F434-F443 HydrophobicContact CZ-CD1 4.16Å; F434-F443 HydrophobicContact CZ-CD2 4.44Å; F434-F443 AromaticContact CZ-CG 3.92Å; F434-F443 HydrophobicContact CZ-CG 3.92Å; F434-I450 HydrophobicContact CD2-CD1 3.7Å; F434-I450 HydrophobicContact CE2-CD1 3.97Å |
| 435 | F | 92.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.1 | -179.6 | -63.2 | -98.6 | 0 | 0 | 0 | 109.3 | I420 D421 A422 F424 Q439 Y440 I458 W461 L481 | I420-F435 CarbonylContact C-O 3.57Å; D421-F435 PolarHBondContact N-O 3.41Å; A422-F435 HydrophobicContact CB-CB 4.23Å; A422-F435 HydrophobicContact CB-CD2 4.32Å; A422-F435 PolarHBondContact N-O 3.01Å; A422-F435 PolarHBondContact O-N 3.36Å; F424-F435 HydrophobicContact CD1-CD2 4.45Å; F424-F435 AromaticContact CD1-CE2 3.62Å; F424-F435 HydrophobicContact CD1-CE2 3.62Å; F424-F435 HydrophobicContact CD1-CZ 4.35Å; F424-F435 HydrophobicContact CE1-CD2 4.48Å; F424-F435 AromaticContact CE1-CE2 3.33Å; F424-F435 HydrophobicContact CE1-CE2 3.33Å; F424-F435 AromaticContact CE1-CZ 3.61Å; F424-F435 HydrophobicContact CE1-CZ 3.61Å; F435-Q439 WeakPolarHBondContact CA-O 3.42Å; F435-Y440 VanDerWaalsContact CD1-CB 3.48Å; F435-Y440 HydrophobicContact CD1-CG 4.44Å; F435-Y440 HydrophobicContact CE1-CG 4.01Å; F435-Y440 HydrophobicContact CZ-CG 4.48Å; F435-I458 HydrophobicContact CD1-CD1 3.68Å; F435-I458 HydrophobicContact CD1-CG1 4.13Å; F435-I458 HydrophobicContact CE1-CD1 3.99Å; F435-I458 HydrophobicContact CE1-CG1 4.05Å; F435-W461 AromaticContact CE1-NE1 3.79Å; F435-W461 HydrophobicContact CZ-CZ2 4.22Å; F435-W461 AromaticContact CZ-NE1 3.99Å; F435-L481 HydrophobicContact CZ-CD2 4.39Å |
| 436 | S | 93.2 | Very high | 86.3 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 114.2 | 174.5 | -170.7 | 0 | 0 | 0 | 0 | 108 | K419 D421 D438 Q439 | K419-S436 WeakPolarHBondContact O-CB 3.35Å; K419-S436 PolarHBondContact O-OG 3.46Å; D421-S436 VanDerWaalsContact OD2-CA 3.27Å; D421-S436 WeakPolarHBondContact OD2-CA 3.38Å; S436-D438 PolarHBondContact O-N 3.15Å; S436-Q439 PolarHBondContact N-O 3.5Å; S436-Q439 PolarHBondContact O-N 2.91Å; S436-Q439 VanDerWaalsContact O-N 3.12Å |
| 437 | G | 89.6 | Confident | 86.7 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | -133.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112 | D421 Q439 P466 | D421-G437 PolarHBondContact OD2-N 3Å; G437-Q439 PolarHBondContact O-N 3.43Å; G437-Q439 VanDerWaalsContact O-N 3.16Å; G437-P466 CarbonylContact C-O 3.57Å |
| 438 | D | 88 | Confident | 87.6 | Confident | 76 Ų | 76 | 45.7 Ų | 45.7 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 9.4 | -178.3 | 81.3 | -28.2 | 0 | 0 | 0 | 114.8 | S436 N457 I458 P466 | S436-D438 PolarHBondContact O-N 3.15Å; D438-N457 WeakPolarHBondContact O-CA 3.35Å; D438-N457 PolarHBondContact O-ND2 3.41Å; D438-N457 PolarHBondContact OD2-ND2 3.17Å; D438-I458 HydrophobicContact CB-CG2 4.41Å; D438-I458 WeakPolarHBondContact O-CG2 3.45Å; D438-I458 PolarHBondContact O-N 3.11Å; D438-P466 HydrophobicContact CB-CB 4.1Å |
| 439 | Q | 90.8 | Very high | 88.7 | Confident | 73 Ų | 73 | 40.7 Ų | 40.7 | 34% | 0.341 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.8 | -176.1 | -62.4 | -168.5 | -23.8 | 0 | 0 | 112.3 | F435 S436 G437 W441 P455 R456 | F435-Q439 WeakPolarHBondContact CA-O 3.42Å; S436-Q439 PolarHBondContact N-O 3.5Å; S436-Q439 PolarHBondContact O-N 2.91Å; S436-Q439 VanDerWaalsContact O-N 3.12Å; G437-Q439 PolarHBondContact O-N 3.43Å; G437-Q439 VanDerWaalsContact O-N 3.16Å; Q439-W441 HydrophobicContact CB-CH2 3.6Å; Q439-W441 HydrophobicContact CB-CZ2 4.26Å; Q439-W441 HydrophobicContact CB-CZ3 3.88Å; Q439-P455 HydrophobicContact CB-CB 3.94Å; Q439-P455 HydrophobicContact CG-CB 4.26Å; Q439-R456 CarbonylContact C-O 3.59Å; Q439-R456 WeakPolarHBondContact CA-O 3.32Å |
| 440 | Y | 92.1 | Very high | 89.4 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154 | 170.8 | 80.7 | -85 | 0 | 0 | 0 | 111.6 | Y433 F434 F435 Y454 P455 R456 N457 I460 W461 | Y433-Y440 AromaticContact CD1-CD2 3.73Å; Y433-Y440 HydrophobicContact CD1-CD2 3.73Å; Y433-Y440 AromaticContact CD1-CE2 3.79Å; Y433-Y440 HydrophobicContact CD1-CE2 3.79Å; Y433-Y440 HydrophobicContact CE1-CD2 4.25Å; Y433-Y440 AromaticContact CE1-CE2 3.82Å; Y433-Y440 HydrophobicContact CE1-CE2 3.82Å; F434-Y440 CarbonylContact O-C 3.58Å; F434-Y440 WeakPolarHBondContact O-CA 3.38Å; F434-Y440 WeakPolarHBondContact O-CB 3.4Å; F435-Y440 VanDerWaalsContact CD1-CB 3.48Å; F435-Y440 HydrophobicContact CD1-CG 4.44Å; F435-Y440 HydrophobicContact CE1-CG 4.01Å; F435-Y440 HydrophobicContact CZ-CG 4.48Å; Y440-Y454 HydrophobicContact CD2-CD1 4.48Å; Y440-Y454 HydrophobicContact CD2-CE1 4.03Å; Y440-Y454 HydrophobicContact CE2-CD1 4.29Å; Y440-Y454 AromaticContact CE2-CE1 3.47Å; Y440-Y454 HydrophobicContact CE2-CE1 3.47Å; Y440-Y454 VanDerWaalsContact CE2-CE1 3.47Å; Y440-Y454 AromaticContact CZ-CE1 3.97Å; Y440-Y454 WeakPolarHBondContact O-CD1 3.44Å; Y440-P455 WeakPolarHBondContact O-CA 3.24Å; Y440-R456 HydrophobicContact CD1-CB 4.05Å; Y440-R456 WeakPolarHBondContact CD1-O 3.38Å; Y440-R456 HydrophobicContact CE1-CB 3.38Å; Y440-R456 HydrophobicContact CE2-CB 4.46Å; Y440-R456 PolarHBondContact N-O 3.15Å; Y440-R456 PolarHBondContact O-N 2.87Å; Y440-N457 WeakPolarHBondContact CE1-O 3.35Å; Y440-I460 HydrophobicContact CE1-CG2 3.92Å; Y440-I460 WeakPolarHBondContact OH-CG2 3.49Å; Y440-W461 AromaticContact CD1-CD1 3.98Å; Y440-W461 AromaticContact CD1-NE1 3.51Å; Y440-W461 HydrophobicContact CD2-CZ2 4.45Å; Y440-W461 AromaticContact CD2-NE1 3.77Å; Y440-W461 AromaticContact CE1-CD1 3.9Å; Y440-W461 AromaticContact CE1-NE1 3.41Å; Y440-W461 HydrophobicContact CE2-CZ2 4.11Å; Y440-W461 AromaticContact CE2-NE1 3.63Å; Y440-W461 AromaticContact CG-NE1 3.7Å; Y440-W461 AromaticContact CZ-NE1 3.48Å |
| 441 | W | 94.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.9 | 177 | -61.1 | -102.2 | 0 | 0 | 0 | 109.7 | L413 P414 V417 Y433 F434 Q439 I450 P455 | L413-W441 HydrophobicContact CD2-CB 4.12Å; L413-W441 HydrophobicContact CD2-CD2 3.49Å; L413-W441 VanDerWaalsContact CD2-CD2 3.49Å; L413-W441 HydrophobicContact CD2-CE3 4.05Å; L413-W441 HydrophobicContact CD2-CG 3.52Å; P414-W441 HydrophobicContact CG-CZ2 4.46Å; V417-W441 HydrophobicContact CG2-CH2 3.63Å; V417-W441 HydrophobicContact CG2-CZ2 3.53Å; Y433-W441 VanDerWaalsContact CA-O 3.29Å; Y433-W441 WeakPolarHBondContact CA-O 3.12Å; F434-W441 PolarHBondContact N-O 3.22Å; F434-W441 PolarHBondContact O-N 3.39Å; Q439-W441 HydrophobicContact CB-CH2 3.6Å; Q439-W441 HydrophobicContact CB-CZ2 4.26Å; Q439-W441 HydrophobicContact CB-CZ3 3.88Å; W441-I450 HydrophobicContact CB-CD1 3.62Å; W441-I450 HydrophobicContact CB-CG1 4.49Å; W441-I450 HydrophobicContact CB-CG2 4.06Å; W441-I450 HydrophobicContact CG-CD1 4.35Å; W441-I450 HydrophobicContact CG-CG2 4.29Å; W441-P455 HydrophobicContact CD2-CB 4.13Å; W441-P455 HydrophobicContact CG-CB 4.48Å; W441-P455 HydrophobicContact CH2-CB 4.36Å; W441-P455 HydrophobicContact CZ2-CB 3.67Å; W441-P455 HydrophobicContact CZ2-CG 3.99Å |
| 442 | R | 91.2 | Very high | 89 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.6 | 168.6 | -172 | 166.6 | 69.1 | -164.3 | -4.4 | 108.8 | K431 T432 Y433 E451 Y454 | K431-R442 HydrophobicContact CB-CG 3.8Å; K431-R442 HydrophobicContact CG-CG 4.3Å; T432-R442 CarbonylContact O-C 3.48Å; T432-R442 WeakPolarHBondContact O-CA 3.46Å; Y433-R442 HydrophobicContact CD1-CB 4.23Å; Y433-R442 HydrophobicContact CD1-CG 4.4Å; Y433-R442 HydrophobicContact CE1-CB 3.93Å; Y433-R442 HydrophobicContact CE1-CG 3.9Å; Y433-R442 HydrophobicContact CE2-CG 4.27Å; Y433-R442 VanDerWaalsContact CZ-CD 3.46Å; Y433-R442 WeakPolarHBondContact OH-CD 3.46Å; R442-E451 IonicContact CZ-OE2 3.39Å; R442-E451 VanDerWaalsContact NE-CD 3.35Å; R442-E451 IonicContact NE-OE1 3.12Å; R442-E451 IonicContact NE-OE2 3.66Å; R442-E451 PolarHBondContact NE-OE2 3.07Å; R442-E451 IonicContact NH2-OE2 2.8Å; R442-E451 PolarHBondContact NH2-OE2 2.71Å; R442-E451 PolarHBondContact O-N 2.92Å; R442-Y454 HydrophobicContact CB-CD1 4.42Å; R442-Y454 HydrophobicContact CB-CD2 3.99Å; R442-Y454 HydrophobicContact CB-CE1 3.84Å; R442-Y454 HydrophobicContact CB-CE2 3.36Å; R442-Y454 HydrophobicContact CB-CG 4.47Å; R442-Y454 WeakPolarHBondContact CB-OH 3.35Å; R442-Y454 HydrophobicContact CG-CE2 4.45Å; R442-Y454 VanDerWaalsContact CZ-OH 3.32Å; R442-Y454 PolarHBondContact NE-OH 3.49Å |
| 443 | F | 92.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.8 | 179.7 | -178.7 | -100.9 | 0 | 0 | 0 | 109.7 | R378 I411 T432 F434 E445 N448 F449 I450 | R378-F443 VanDerWaalsContact NH2-CE1 3.28Å; I411-F443 HydrophobicContact CB-CD2 4.39Å; I411-F443 HydrophobicContact CB-CE2 3.76Å; I411-F443 HydrophobicContact CG2-CE2 3.99Å; I411-F443 HydrophobicContact CG2-CZ 4.33Å; T432-F443 HydrophobicContact CG2-CB 4.43Å; T432-F443 PolarHBondContact N-O 3.34Å; T432-F443 PolarHBondContact O-N 3.36Å; F434-F443 HydrophobicContact CD2-CB 4.09Å; F434-F443 HydrophobicContact CE2-CB 3.46Å; F434-F443 VanDerWaalsContact CE2-CB 3.46Å; F434-F443 HydrophobicContact CE2-CD1 4.31Å; F434-F443 AromaticContact CE2-CD2 3.83Å; F434-F443 HydrophobicContact CE2-CD2 3.83Å; F434-F443 AromaticContact CE2-CG 3.61Å; F434-F443 HydrophobicContact CE2-CG 3.61Å; F434-F443 HydrophobicContact CZ-CB 3.9Å; F434-F443 HydrophobicContact CZ-CD1 4.16Å; F434-F443 HydrophobicContact CZ-CD2 4.44Å; F434-F443 AromaticContact CZ-CG 3.92Å; F434-F443 HydrophobicContact CZ-CG 3.92Å; F443-E445 HydrophobicContact CD1-CG 4.25Å; F443-E445 HydrophobicContact CE1-CG 4.4Å; F443-E445 WeakPolarHBondContact CE1-OE2 3.43Å; F443-N448 HydrophobicContact CZ-CB 4.43Å; F443-F449 VanDerWaalsContact CD2-C 3.44Å; F443-F449 VanDerWaalsContact CE2-N 3.27Å; F443-I450 HydrophobicContact CB-CD1 3.81Å; F443-I450 HydrophobicContact CD2-CD1 3.86Å; F443-I450 HydrophobicContact CD2-CG1 4.21Å; F443-I450 HydrophobicContact CG-CD1 4.33Å |
| 444 | D | 86.4 | Confident | 88 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 109.6 | 175.5 | 176.3 | 35.7 | 0 | 0 | 0 | 110.1 | K431 T446 S447 N448 F449 E451 | K431-D444 VanDerWaalsContact NZ-CG 3.27Å; K431-D444 IonicContact NZ-OD1 2.71Å; K431-D444 PolarHBondContact NZ-OD1 3.33Å; D444-T446 PolarHBondContact O-N 2.99Å; D444-T446 PolarHBondContact OD1-N 3.2Å; D444-S447 WeakPolarHBondContact CB-OG 3.49Å; D444-S447 PolarHBondContact O-N 3.1Å; D444-S447 WeakPolarHBondContact OD2-CB 3.3Å; D444-S447 PolarHBondContact OD2-N 2.93Å; D444-S447 PolarHBondContact OD2-OG 3.06Å; D444-N448 WeakPolarHBondContact O-CA 3.33Å; D444-N448 PolarHBondContact O-N 3.08Å; D444-F449 PolarHBondContact N-O 3.28Å; D444-F449 PolarHBondContact O-N 3.12Å; D444-E451 HydrophobicContact CB-CG 3.74Å |
| 445 | E | 87.7 | Confident | 87.9 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.1 | -178.6 | -65.4 | -71.7 | 174.1 | 0 | 0 | 112.9 | Y376 R378 P379 T432 F443 | Y376-E445 VanDerWaalsContact CE2-OE1 3.28Å; Y376-E445 WeakPolarHBondContact CE2-OE1 3.38Å; Y376-E445 PolarHBondContact OH-OE1 3.08Å; R378-E445 IonicContact CZ-OE2 2.76Å; R378-E445 IonicContact NE-OE1 3.95Å; R378-E445 IonicContact NE-OE2 2.85Å; R378-E445 PolarHBondContact NE-OE2 3.36Å; R378-E445 IonicContact NH2-OE2 3.61Å; R378-E445 PolarHBondContact NH2-OE2 3.49Å; P379-E445 HydrophobicContact CG-CB 4.28Å; P379-E445 HydrophobicContact CG-CG 3.66Å; T432-E445 WeakPolarHBondContact CB-OE1 3.49Å; T432-E445 PolarHBondContact OG1-OE1 2.85Å; F443-E445 HydrophobicContact CD1-CG 4.25Å; F443-E445 HydrophobicContact CE1-CG 4.4Å; F443-E445 WeakPolarHBondContact CE1-OE2 3.43Å |
| 446 | T | 84.2 | Confident | 87.6 | Confident | 133 Ų | 133 | 59.2 Ų | 59.2 | 82% | 0.816 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -48.4 | 179.8 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | D444 N448 | D444-T446 PolarHBondContact O-N 2.99Å; D444-T446 PolarHBondContact OD1-N 3.2Å; T446-N448 VanDerWaalsContact C-N 3.29Å |
| 447 | S | 85.3 | Confident | 87.3 | Confident | 73 Ų | 73 | 61 Ų | 61 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -12.3 | 175 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | D444 F449 | D444-S447 WeakPolarHBondContact CB-OG 3.49Å; D444-S447 PolarHBondContact O-N 3.1Å; D444-S447 WeakPolarHBondContact OD2-CB 3.3Å; D444-S447 PolarHBondContact OD2-N 2.93Å; D444-S447 PolarHBondContact OD2-OG 3.06Å; S447-F449 PolarHBondContact O-N 3.23Å |
| 448 | N | 87.6 | Confident | 87.1 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 37.1 | -175.5 | -169.6 | 59.1 | 0 | 0 | 0 | 112.1 | R378 F443 D444 T446 | R378-N448 PolarHBondContact NH1-OD1 2.98Å; R378-N448 VanDerWaalsContact NH1-OD1 3.14Å; R378-N448 PolarHBondContact NH2-OD1 3.08Å; F443-N448 HydrophobicContact CZ-CB 4.43Å; D444-N448 WeakPolarHBondContact O-CA 3.33Å; D444-N448 PolarHBondContact O-N 3.08Å; T446-N448 VanDerWaalsContact C-N 3.29Å |
| 449 | F | 89.8 | Confident | 86.5 | Confident | 96 Ų | 96 | 64.7 Ų | 64.7 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154.9 | -176.5 | -151.9 | -105.4 | 0 | 0 | 0 | 111.5 | I411 G412 F443 D444 S447 E451 | I411-F449 CarbonylContact O-C 3.57Å; I411-F449 WeakPolarHBondContact O-CA 3.36Å; G412-F449 VanDerWaalsContact CA-CE2 3.41Å; F443-F449 VanDerWaalsContact CD2-C 3.44Å; F443-F449 VanDerWaalsContact CE2-N 3.27Å; D444-F449 PolarHBondContact N-O 3.28Å; D444-F449 PolarHBondContact O-N 3.12Å; S447-F449 PolarHBondContact O-N 3.23Å; F449-E451 PolarHBondContact O-N 3.38Å |
| 450 | I | 90.1 | Very high | 85.8 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 131.9 | 172 | -66.7 | -66.9 | 0 | 0 | 0 | 109.6 | I411 L413 F434 W441 F443 | I411-I450 VanDerWaalsContact O-CG1 3.27Å; I411-I450 WeakPolarHBondContact O-CG1 3.22Å; I411-I450 PolarHBondContact O-N 3.39Å; L413-I450 HydrophobicContact CD2-CD1 4.02Å; L413-I450 HydrophobicContact CD2-CG1 4.05Å; L413-I450 HydrophobicContact CG-CD1 4.34Å; L413-I450 HydrophobicContact CG-CG1 4.12Å; F434-I450 HydrophobicContact CD2-CD1 3.7Å; F434-I450 HydrophobicContact CE2-CD1 3.97Å; W441-I450 HydrophobicContact CB-CD1 3.62Å; W441-I450 HydrophobicContact CB-CG1 4.49Å; W441-I450 HydrophobicContact CB-CG2 4.06Å; W441-I450 HydrophobicContact CG-CD1 4.35Å; W441-I450 HydrophobicContact CG-CG2 4.29Å; F443-I450 HydrophobicContact CB-CD1 3.81Å; F443-I450 HydrophobicContact CD2-CD1 3.86Å; F443-I450 HydrophobicContact CD2-CG1 4.21Å; F443-I450 HydrophobicContact CG-CD1 4.33Å |
| 451 | E | 84.5 | Confident | 84.9 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 151 | 178.3 | -68 | -171.3 | -175.1 | 0 | 0 | 111.4 | K431 R442 D444 F449 Y454 | K431-E451 VanDerWaalsContact CE-OE1 3.31Å; K431-E451 WeakPolarHBondContact CE-OE1 3.28Å; K431-E451 IonicContact NZ-OE1 3.95Å; K431-E451 PolarHBondContact NZ-OE1 2.82Å; R442-E451 IonicContact CZ-OE2 3.39Å; R442-E451 VanDerWaalsContact NE-CD 3.35Å; R442-E451 IonicContact NE-OE1 3.12Å; R442-E451 IonicContact NE-OE2 3.66Å; R442-E451 PolarHBondContact NE-OE2 3.07Å; R442-E451 IonicContact NH2-OE2 2.8Å; R442-E451 PolarHBondContact NH2-OE2 2.71Å; R442-E451 PolarHBondContact O-N 2.92Å; D444-E451 HydrophobicContact CB-CG 3.74Å; F449-E451 PolarHBondContact O-N 3.38Å; E451-Y454 HydrophobicContact CB-CD2 4.09Å; E451-Y454 HydrophobicContact CB-CE2 4.18Å |
| 452 | H | 71.2 | Confident | 83.7 | Confident | 163 Ų | 163 | 72.3 Ų | 72.3 | 76% | 0.755 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 155.3 | 170.1 | -61.2 | -64.3 | 0 | 0 | 0 | 110.7 | ||
| 453 | D | 76 | Confident | 82.6 | Confident | 131 Ų | 131 | 72.8 Ų | 72.8 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 21 | -176.6 | -49.2 | -29.6 | 0 | 0 | 0 | 116.9 | R456 | D453-R456 PolarHBondContact O-NE 2.84Š|
| 454 | Y | 87 | Confident | 81.4 | Confident | 34 Ų | 34 | 74.1 Ų | 74.1 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | trans | -117.8 | 152.5 | 171.3 | -72.2 | -82.6 | 0 | 0 | 0 | 111.5 | Y440 R442 E451 R456 | Y440-Y454 HydrophobicContact CD2-CD1 4.48Å; Y440-Y454 HydrophobicContact CD2-CE1 4.03Å; Y440-Y454 HydrophobicContact CE2-CD1 4.29Å; Y440-Y454 AromaticContact CE2-CE1 3.47Å; Y440-Y454 HydrophobicContact CE2-CE1 3.47Å; Y440-Y454 VanDerWaalsContact CE2-CE1 3.47Å; Y440-Y454 AromaticContact CZ-CE1 3.97Å; Y440-Y454 WeakPolarHBondContact O-CD1 3.44Å; R442-Y454 HydrophobicContact CB-CD1 4.42Å; R442-Y454 HydrophobicContact CB-CD2 3.99Å; R442-Y454 HydrophobicContact CB-CE1 3.84Å; R442-Y454 HydrophobicContact CB-CE2 3.36Å; R442-Y454 HydrophobicContact CB-CG 4.47Å; R442-Y454 WeakPolarHBondContact CB-OH 3.35Å; R442-Y454 HydrophobicContact CG-CE2 4.45Å; R442-Y454 VanDerWaalsContact CZ-OH 3.32Å; R442-Y454 PolarHBondContact NE-OH 3.49Å; E451-Y454 HydrophobicContact CB-CD2 4.09Å; E451-Y454 HydrophobicContact CB-CE2 4.18Å; Y454-R456 HydrophobicContact CD1-CB 4.19Å; Y454-R456 HydrophobicContact CD1-CG 3.86Å; Y454-R456 HydrophobicContact CE1-CB 4.22Å; Y454-R456 HydrophobicContact CE1-CG 3.88Å | ||
| 455 | P | 92.3 | Very high | 80.5 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | cis | -72.9 | 160.3 | 7.6 | 24.8 | -29.9 | 0 | 0 | 0 | 114.9 | Q439 Y440 W441 | Q439-P455 HydrophobicContact CB-CB 3.94Å; Q439-P455 HydrophobicContact CG-CB 4.26Å; Y440-P455 WeakPolarHBondContact O-CA 3.24Å; W441-P455 HydrophobicContact CD2-CB 4.13Å; W441-P455 HydrophobicContact CG-CB 4.48Å; W441-P455 HydrophobicContact CH2-CB 4.36Å; W441-P455 HydrophobicContact CZ2-CB 3.67Å; W441-P455 HydrophobicContact CZ2-CG 3.99Å | ||
| 456 | R | 86.3 | Confident | 79.4 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 38% | 0.377 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 154 | 166.3 | -69.4 | -174.8 | -177.6 | -141.4 | 0.6 | 109.7 | Q439 Y440 D453 Y454 | Q439-R456 CarbonylContact C-O 3.59Å; Q439-R456 WeakPolarHBondContact CA-O 3.32Å; Y440-R456 HydrophobicContact CD1-CB 4.05Å; Y440-R456 WeakPolarHBondContact CD1-O 3.38Å; Y440-R456 HydrophobicContact CE1-CB 3.38Å; Y440-R456 HydrophobicContact CE2-CB 4.46Å; Y440-R456 PolarHBondContact N-O 3.15Å; Y440-R456 PolarHBondContact O-N 2.87Å; D453-R456 PolarHBondContact O-NE 2.84Å; Y454-R456 HydrophobicContact CD1-CB 4.19Å; Y454-R456 HydrophobicContact CD1-CG 3.86Å; Y454-R456 HydrophobicContact CE1-CB 4.22Å; Y454-R456 HydrophobicContact CE1-CG 3.88Å |
| 457 | N | 86.5 | Confident | 78.8 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 33% | 0.326 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.4 | 178 | -167.9 | -80.8 | 0 | 0 | 0 | 110.9 | D438 Y440 K459 I460 | D438-N457 WeakPolarHBondContact O-CA 3.35Å; D438-N457 PolarHBondContact O-ND2 3.41Å; D438-N457 PolarHBondContact OD2-ND2 3.17Å; Y440-N457 WeakPolarHBondContact CE1-O 3.35Å; N457-K459 PolarHBondContact O-N 2.96Å; N457-K459 VanDerWaalsContact O-N 3.14Å; N457-K459 VanDerWaalsContact OD1-CB 3.28Å; N457-K459 WeakPolarHBondContact OD1-CB 3.44Å; N457-K459 WeakPolarHBondContact OD1-CD 3.37Å; N457-K459 WeakPolarHBondContact OD1-CG 3.39Å; N457-K459 PolarHBondContact OD1-N 2.9Å; N457-I460 PolarHBondContact O-N 3.47Å |
| 458 | I | 84.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -62.2 | -20.3 | -176.9 | -165 | 172.2 | 0 | 0 | 0 | 113.9 | F435 D438 I460 W461 V464 P466 V468 | F435-I458 HydrophobicContact CD1-CD1 3.68Å; F435-I458 HydrophobicContact CD1-CG1 4.13Å; F435-I458 HydrophobicContact CE1-CD1 3.99Å; F435-I458 HydrophobicContact CE1-CG1 4.05Å; D438-I458 HydrophobicContact CB-CG2 4.41Å; D438-I458 WeakPolarHBondContact O-CG2 3.45Å; D438-I458 PolarHBondContact O-N 3.11Å; I458-I460 PolarHBondContact O-N 2.9Å; I458-W461 WeakPolarHBondContact O-CB 3.09Å; I458-W461 PolarHBondContact O-N 3.27Å; I458-V464 HydrophobicContact CD1-CG1 3.78Å; I458-V464 HydrophobicContact CG1-CG1 4.23Å; I458-P466 HydrophobicContact CG2-CB 4.16Å; I458-V468 HydrophobicContact CD1-CG2 3.61Å |
| 459 | K | 76.9 | Confident | 77.5 | Confident | 178 Ų | 178 | 70.9 Ų | 70.9 | 77% | 0.774 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -53.8 | -18.1 | 176.9 | -73.5 | 171 | -175.3 | 174.6 | 0 | 114.7 | N457 W461 | N457-K459 PolarHBondContact O-N 2.96Å; N457-K459 VanDerWaalsContact O-N 3.14Å; N457-K459 VanDerWaalsContact OD1-CB 3.28Å; N457-K459 WeakPolarHBondContact OD1-CB 3.44Å; N457-K459 WeakPolarHBondContact OD1-CD 3.37Å; N457-K459 WeakPolarHBondContact OD1-CG 3.39Å; N457-K459 PolarHBondContact OD1-N 2.9Å; K459-W461 PolarHBondContact O-N 2.96Å |
| 460 | I | 76.1 | Confident | 76.5 | Confident | 110 Ų | 110 | 66.5 Ų | 66.5 | 56% | 0.564 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -65.4 | -27.1 | 172.6 | -129.3 | 169.5 | 0 | 0 | 0 | 112.2 | Y440 N457 I458 S462 | Y440-I460 HydrophobicContact CE1-CG2 3.92Å; Y440-I460 WeakPolarHBondContact OH-CG2 3.49Å; N457-I460 PolarHBondContact O-N 3.47Å; I458-I460 PolarHBondContact O-N 2.9Å; I460-S462 PolarHBondContact O-N 2.97Å; I460-S462 VanDerWaalsContact O-N 3.16Å |
| 461 | W | 72.8 | Confident | 75.7 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -83.1 | 86.8 | 175.1 | -58.6 | 93.4 | 0 | 0 | 0 | 109 | F424 W426 Y433 F435 Y440 I458 K459 G463 V464 | F424-W461 AromaticContact CZ-CH2 3.94Å; F424-W461 HydrophobicContact CZ-CH2 3.94Å; F424-W461 HydrophobicContact CZ-CZ3 4.19Å; W426-W461 HydrophobicContact CD2-CH2 4.22Å; W426-W461 AromaticContact CE3-CH2 3.89Å; W426-W461 HydrophobicContact CE3-CH2 3.89Å; W426-W461 HydrophobicContact CE3-CZ3 4.49Å; W426-W461 HydrophobicContact CH2-CH2 4.39Å; W426-W461 HydrophobicContact CH2-CZ3 4.41Å; W426-W461 HydrophobicContact CZ2-CZ3 4.45Å; W426-W461 AromaticContact CZ3-CH2 3.97Å; W426-W461 HydrophobicContact CZ3-CH2 3.97Å; W426-W461 HydrophobicContact CZ3-CZ3 4.43Å; Y433-W461 HydrophobicContact CD1-CH2 4.3Å; Y433-W461 AromaticContact CD1-CZ2 3.71Å; Y433-W461 HydrophobicContact CD1-CZ2 3.71Å; Y433-W461 HydrophobicContact CE1-CH2 4.2Å; Y433-W461 AromaticContact CE1-CZ2 3.75Å; Y433-W461 HydrophobicContact CE1-CZ2 3.75Å; Y433-W461 HydrophobicContact CG-CZ2 4.27Å; F435-W461 AromaticContact CE1-NE1 3.79Å; F435-W461 HydrophobicContact CZ-CZ2 4.22Å; F435-W461 AromaticContact CZ-NE1 3.99Å; Y440-W461 AromaticContact CD1-CD1 3.98Å; Y440-W461 AromaticContact CD1-NE1 3.51Å; Y440-W461 HydrophobicContact CD2-CZ2 4.45Å; Y440-W461 AromaticContact CD2-NE1 3.77Å; Y440-W461 AromaticContact CE1-CD1 3.9Å; Y440-W461 AromaticContact CE1-NE1 3.41Å; Y440-W461 HydrophobicContact CE2-CZ2 4.11Å; Y440-W461 AromaticContact CE2-NE1 3.63Å; Y440-W461 AromaticContact CG-NE1 3.7Å; Y440-W461 AromaticContact CZ-NE1 3.48Å; I458-W461 WeakPolarHBondContact O-CB 3.09Å; I458-W461 PolarHBondContact O-N 3.27Å; K459-W461 PolarHBondContact O-N 2.96Å; W461-G463 PolarHBondContact O-N 3.32Å; W461-G463 VanDerWaalsContact O-N 3.16Å; W461-V464 HydrophobicContact CB-CB 3.94Å; W461-V464 HydrophobicContact CB-CG2 3.66Å; W461-V464 WeakPolarHBondContact O-CB 3.33Å; W461-V464 PolarHBondContact O-N 3.45Å |
| 462 | S | 69.1 | Low | 75 | Confident | 120 Ų | 120 | 65.1 Ų | 65.1 | 84% | 0.839 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 121.7 | -178.8 | -176.5 | 0 | 0 | 0 | 0 | 112 | I460 | I460-S462 PolarHBondContact O-N 2.97Å; I460-S462 VanDerWaalsContact O-N 3.16Å |
| 463 | G | 67.6 | Low | 74.8 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | 4.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | W461 | W461-G463 PolarHBondContact O-N 3.32Å; W461-G463 VanDerWaalsContact O-N 3.16Å |
| 464 | V | 67.2 | Low | 74.1 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | trans | -101.3 | 118.1 | 179.3 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | I458 W461 V468 L481 | I458-V464 HydrophobicContact CD1-CG1 3.78Å; I458-V464 HydrophobicContact CG1-CG1 4.23Å; W461-V464 HydrophobicContact CB-CB 3.94Å; W461-V464 HydrophobicContact CB-CG2 3.66Å; W461-V464 WeakPolarHBondContact O-CB 3.33Å; W461-V464 PolarHBondContact O-N 3.45Å; V464-V468 HydrophobicContact CG1-CG2 3.5Å; V464-V468 VanDerWaalsContact CG1-CG2 3.5Å; V464-L481 HydrophobicContact CG1-CB 4.25Å; V464-L481 HydrophobicContact CG1-CD1 4.5Å; V464-L481 HydrophobicContact CG1-CD2 4.43Å; V464-L481 HydrophobicContact CG2-CB 4.45Å; V464-L481 HydrophobicContact CG2-CD1 3.81Å | ||
| 465 | P | 69 | Low | 72.6 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | trans | -62.9 | 158.4 | 171.4 | -16.7 | 26 | 0 | 0 | 0 | 112.2 | D467 V468 V483 | P465-D467 VanDerWaalsContact C-N 3.29Å; P465-D467 PolarHBondContact O-N 2.91Å; P465-V468 WeakPolarHBondContact O-CG2 3.22Å; P465-V483 HydrophobicContact CB-CB 4.18Å; P465-V483 HydrophobicContact CB-CG1 3.64Å; P465-V483 HydrophobicContact CB-CG2 3.85Å; P465-V483 HydrophobicContact CG-CB 3.9Å; P465-V483 HydrophobicContact CG-CG1 3.84Å; P465-V483 HydrophobicContact CG-CG2 3.6Å | ||
| 466 | P | 64.5 | Low | 70.7 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 40% | 0.403 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -68.6 | -20.9 | -175.6 | 25.3 | -32 | 0 | 0 | 0 | 115.2 | G437 D438 I458 | G437-P466 CarbonylContact C-O 3.57Å; D438-P466 HydrophobicContact CB-CB 4.1Å; I458-P466 HydrophobicContact CG2-CB 4.16Å |
| 467 | D | 71.1 | Confident | 69.1 | Low | 90 Ų | 90 | 52.3 Ų | 52.3 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | trans | -106 | 71.4 | -173.2 | -53.4 | -40.4 | 0 | 0 | 0 | 111.2 | P465 D469 V483 | P465-D467 VanDerWaalsContact C-N 3.29Å; P465-D467 PolarHBondContact O-N 2.91Å; D467-D469 PolarHBondContact O-N 3.41Å; D467-V483 WeakPolarHBondContact O-CG1 3.23Å | ||
| 468 | V | 71.8 | Confident | 67.7 | Low | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | trans | -81.1 | 110.3 | -178.1 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | D421 A422 I458 V464 P465 S470 A471 L481 H482 V483 | D421-V468 WeakPolarHBondContact CB-O 3.15Å; A422-V468 HydrophobicContact CB-CB 4.43Å; A422-V468 HydrophobicContact CB-CG1 3.77Å; I458-V468 HydrophobicContact CD1-CG2 3.61Å; V464-V468 HydrophobicContact CG1-CG2 3.5Å; V464-V468 VanDerWaalsContact CG1-CG2 3.5Å; P465-V468 WeakPolarHBondContact O-CG2 3.22Å; V468-S470 WeakPolarHBondContact CG1-O 3.48Å; V468-A471 HydrophobicContact CG1-CB 4.35Å; V468-L481 HydrophobicContact CG1-CB 4.49Å; V468-L481 HydrophobicContact CG1-CD2 3.86Å; V468-L481 HydrophobicContact CG2-CD2 4.42Å; V468-H482 WeakPolarHBondContact CG1-O 3.48Å; V468-V483 HydrophobicContact CB-CG2 4.5Å; V468-V483 HydrophobicContact CG2-CG2 3.99Å | ||
| 469 | D | 72.7 | Confident | 66.6 | Low | 51 Ų | 51 | 61.2 Ų | 61.2 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -81.4 | -25.1 | 178.5 | -52.4 | -40.9 | 0 | 0 | 0 | 113.3 | D421 D467 H482 N484 | D421-D469 CarbonylContact O-C 3.59Å; D421-D469 VanDerWaalsContact O-O 3.1Å; D467-D469 PolarHBondContact O-N 3.41Å; D469-H482 PolarHBondContact N-O 3.26Å; D469-H482 VanDerWaalsContact N-O 3.15Å; D469-N484 WeakPolarHBondContact OD2-CA 3.46Å; D469-N484 PolarHBondContact OD2-N 3.31Å |
| 470 | S | 70.3 | Confident | 66.1 | Low | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.028 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 149.7 | 171.8 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | V468 H482 I486 | V468-S470 WeakPolarHBondContact CG1-O 3.48Å; S470-H482 PolarHBondContact N-O 3.06Å; S470-H482 PolarHBondContact O-N 3.33Å; S470-I486 WeakPolarHBondContact OG-CD1 3.49Å |
| 471 | A | 72.5 | Confident | 65.4 | Low | 3 Ų | 3 | 54.1 Ų | 54.1 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 127.5 | 176 | 0 | 0 | 0 | 0 | 0 | 108.8 | A422 A423 F424 V468 R480 L481 | A422-A471 HydrophobicContact CB-CB 3.78Å; A423-A471 VanDerWaalsContact O-O 3.1Å; F424-A471 HydrophobicContact CB-CB 4.01Å; F424-A471 WeakPolarHBondContact CB-O 3.38Å; F424-A471 HydrophobicContact CD1-CB 3.48Å; F424-A471 VanDerWaalsContact CD1-CB 3.48Å; F424-A471 HydrophobicContact CE1-CB 4.28Å; F424-A471 HydrophobicContact CG-CB 4.06Å; V468-A471 HydrophobicContact CG1-CB 4.35Å; A471-R480 WeakPolarHBondContact CA-O 3.29Å; A471-L481 HydrophobicContact CB-CD2 3.53Å; A471-L481 HydrophobicContact CB-CG 4.21Å |
| 472 | F | 70.4 | Confident | 65 | Low | 18 Ų | 18 | 56 Ų | 56 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 164.8 | 163.9 | 72.1 | -78.1 | 0 | 0 | 0 | 108.9 | L327 R329 I334 D474 R480 H482 | L327-F472 HydrophobicContact CD2-CD1 3.36Å; L327-F472 HydrophobicContact CD2-CE1 3.17Å; L327-F472 HydrophobicContact CD2-CG 4.14Å; L327-F472 HydrophobicContact CD2-CZ 3.83Å; L327-F472 HydrophobicContact CG-CE1 4.45Å; R329-F472 HydrophobicContact CB-CD2 4.4Å; I334-F472 HydrophobicContact CD1-CE2 4.11Å; I334-F472 HydrophobicContact CD1-CZ 4.25Å; I334-F472 HydrophobicContact CG1-CE2 4.38Å; F472-D474 HydrophobicContact CD2-CB 4.45Å; F472-D474 HydrophobicContact CE2-CB 3.82Å; F472-R480 HydrophobicContact CD1-CB 4.03Å; F472-R480 HydrophobicContact CE1-CB 3.69Å; F472-R480 HydrophobicContact CE1-CG 4.36Å; F472-R480 HydrophobicContact CE2-CB 4.35Å; F472-R480 HydrophobicContact CE2-CG 4.35Å; F472-R480 HydrophobicContact CZ-CB 3.87Å; F472-R480 HydrophobicContact CZ-CG 4.03Å; F472-R480 PolarHBondContact N-O 3.45Å; F472-R480 CarbonylContact O-C 3.5Å; F472-R480 WeakPolarHBondContact O-CA 3.33Å; F472-R480 PolarHBondContact O-N 2.89Å; F472-R480 VanDerWaalsContact O-O 3.11Å; F472-H482 AromaticContact CE1-CE1 3.62Å; F472-H482 AromaticContact CE1-ND1 3.94Å |
| 473 | T | 66.4 | Low | 64.4 | Low | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.5 | 170.9 | -44.3 | 0 | 0 | 0 | 0 | 107.6 | R66 R329 V425 D427 G477 K478 | R66-T473 VanDerWaalsContact NH2-C 3.27Å; R66-T473 PolarHBondContact NH2-O 2.91Å; R66-T473 VanDerWaalsContact NH2-O 3.11Å; R329-T473 PolarHBondContact NH1-O 2.78Å; R329-T473 PolarHBondContact NH2-O 3Å; V425-T473 PolarHBondContact O-OG1 3.07Å; D427-T473 VanDerWaalsContact OD2-CG2 3.23Å; D427-T473 WeakPolarHBondContact OD2-CG2 3.28Å; T473-G477 VanDerWaalsContact CG2-C 3.47Å; T473-G477 VanDerWaalsContact CG2-O 3.28Å; T473-G477 WeakPolarHBondContact CG2-O 3.34Å; T473-K478 WeakPolarHBondContact CG2-O 3.47Å |
| 474 | D | 62.1 | Low | 64 | Low | 20 Ų | 20 | 53.6 Ų | 53.6 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | trans | -74.8 | 177.2 | -174.6 | 70.7 | 25.7 | 0 | 0 | 0 | 112.5 | R66 R329 F472 S476 G477 K478 R480 | R66-D474 PolarHBondContact NH2-O 2.79Å; R329-D474 PolarHBondContact NH1-O 3.07Å; F472-D474 HydrophobicContact CD2-CB 4.45Å; F472-D474 HydrophobicContact CE2-CB 3.82Å; D474-S476 PolarHBondContact O-N 2.81Å; D474-S476 VanDerWaalsContact O-N 3.13Å; D474-S476 WeakPolarHBondContact OD1-CA 3.46Å; D474-S476 WeakPolarHBondContact OD1-CB 3.41Å; D474-S476 PolarHBondContact OD1-N 3.2Å; D474-S476 PolarHBondContact OD1-OG 3.35Å; D474-G477 PolarHBondContact O-N 2.67Å; D474-G477 PolarHBondContact OD1-N 2.85Å; D474-K478 VanDerWaalsContact CG-O 3.28Å; D474-K478 PolarHBondContact N-O 3.18Å; D474-K478 WeakPolarHBondContact OD1-CB 3.5Å; D474-K478 PolarHBondContact OD1-N 2.94Å; D474-R480 HydrophobicContact CB-CG 3.97Å; D474-R480 IonicContact OD2-CZ 2.7Å; D474-R480 IonicContact OD2-NE 3.89Å; D474-R480 PolarHBondContact OD2-NE 3.24Å; D474-R480 IonicContact OD2-NH2 3.55Å; D474-R480 PolarHBondContact OD2-NH2 3.09Å | ||
| 475 | N | 54.7 | Low | 63.5 | Low | 58 Ų | 58 | 53.6 Ų | 53.6 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.7 | -175.7 | -64.6 | -14.2 | 0 | 0 | 0 | 113.8 | R329 N332 G477 | R329-N475 WeakPolarHBondContact CD-OD1 3.48Å; R329-N475 PolarHBondContact NH1-OD1 3.38Å; N332-N475 PolarHBondContact OD1-OD1 3.07Å; N475-G477 VanDerWaalsContact C-N 3.28Å |
| 476 | S | 51.9 | Low | 63.2 | Low | 94 Ų | 94 | 52 Ų | 52 | 66% | 0.657 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.3 | 172.3 | 73.4 | 0 | 0 | 0 | 0 | 113.4 | D474 K478 | D474-S476 PolarHBondContact O-N 2.81Å; D474-S476 VanDerWaalsContact O-N 3.13Å; D474-S476 WeakPolarHBondContact OD1-CA 3.46Å; D474-S476 WeakPolarHBondContact OD1-CB 3.41Å; D474-S476 PolarHBondContact OD1-N 3.2Å; D474-S476 PolarHBondContact OD1-OG 3.35Å; S476-K478 PolarHBondContact O-N 3.5Å; S476-K478 WeakPolarHBondContact OG-CB 3.42Å; S476-K478 PolarHBondContact OG-N 2.97Å |
| 477 | G | 53.8 | Low | 63.2 | Low | 38 Ų | 38 | 54.6 Ų | 54.6 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 75.5 | 4.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T473 D474 N475 | T473-G477 VanDerWaalsContact CG2-C 3.47Å; T473-G477 VanDerWaalsContact CG2-O 3.28Å; T473-G477 WeakPolarHBondContact CG2-O 3.34Å; D474-G477 PolarHBondContact O-N 2.67Å; D474-G477 PolarHBondContact OD1-N 2.85Å; N475-G477 VanDerWaalsContact C-N 3.28Å |
| 478 | K | 57 | Low | 62.6 | Low | 125 Ų | 125 | 50.4 Ų | 50.4 | 54% | 0.543 | 26% | 0.264 | S | S | . | . | trans | -80.2 | 132.7 | 178.8 | -167.7 | 176.9 | -176.7 | 179 | 0 | 109.2 | T473 D474 S476 R480 | T473-K478 WeakPolarHBondContact CG2-O 3.47Å; D474-K478 VanDerWaalsContact CG-O 3.28Å; D474-K478 PolarHBondContact N-O 3.18Å; D474-K478 WeakPolarHBondContact OD1-CB 3.5Å; D474-K478 PolarHBondContact OD1-N 2.94Å; S476-K478 PolarHBondContact O-N 3.5Å; S476-K478 WeakPolarHBondContact OG-CB 3.42Å; S476-K478 PolarHBondContact OG-N 2.97Å; K478-R480 PolarHBondContact O-N 2.93Å | ||
| 479 | R | 61.6 | Low | 62 | Low | 125 Ų | 125 | 55.2 Ų | 55.2 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126.8 | 176.7 | -61.4 | 169.7 | -64.8 | -175.3 | 2.9 | 108.5 | L481 | R479-L481 HydrophobicContact CB-CD1 4.36Å |
| 480 | R | 65.2 | Low | 61.4 | Low | 102 Ų | 102 | 55.5 Ų | 55.5 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 86.3 | 171.3 | -63.7 | -65.4 | -177.6 | 155.6 | 7.7 | 106.6 | A471 F472 D474 K478 | A471-R480 WeakPolarHBondContact CA-O 3.29Å; F472-R480 HydrophobicContact CD1-CB 4.03Å; F472-R480 HydrophobicContact CE1-CB 3.69Å; F472-R480 HydrophobicContact CE1-CG 4.36Å; F472-R480 HydrophobicContact CE2-CB 4.35Å; F472-R480 HydrophobicContact CE2-CG 4.35Å; F472-R480 HydrophobicContact CZ-CB 3.87Å; F472-R480 HydrophobicContact CZ-CG 4.03Å; F472-R480 PolarHBondContact N-O 3.45Å; F472-R480 CarbonylContact O-C 3.5Å; F472-R480 WeakPolarHBondContact O-CA 3.33Å; F472-R480 PolarHBondContact O-N 2.89Å; F472-R480 VanDerWaalsContact O-O 3.11Å; D474-R480 HydrophobicContact CB-CG 3.97Å; D474-R480 IonicContact OD2-CZ 2.7Å; D474-R480 IonicContact OD2-NE 3.89Å; D474-R480 PolarHBondContact OD2-NE 3.24Å; D474-R480 IonicContact OD2-NH2 3.55Å; D474-R480 PolarHBondContact OD2-NH2 3.09Å; K478-R480 PolarHBondContact O-N 2.93Å |
| 481 | L | 60.8 | Low | 60.9 | Low | 36 Ų | 36 | 58.2 Ų | 58.2 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.4 | 167.4 | -72.9 | 140 | 0 | 0 | 0 | 105.5 | F424 F435 V464 V468 A471 R479 | F424-L481 HydrophobicContact CD1-CD2 4.46Å; F424-L481 HydrophobicContact CE1-CD2 4.06Å; F435-L481 HydrophobicContact CZ-CD2 4.39Å; V464-L481 HydrophobicContact CG1-CB 4.25Å; V464-L481 HydrophobicContact CG1-CD1 4.5Å; V464-L481 HydrophobicContact CG1-CD2 4.43Å; V464-L481 HydrophobicContact CG2-CB 4.45Å; V464-L481 HydrophobicContact CG2-CD1 3.81Å; V468-L481 HydrophobicContact CG1-CB 4.49Å; V468-L481 HydrophobicContact CG1-CD2 3.86Å; V468-L481 HydrophobicContact CG2-CD2 4.42Å; A471-L481 HydrophobicContact CB-CD2 3.53Å; A471-L481 HydrophobicContact CB-CG 4.21Å; R479-L481 HydrophobicContact CB-CD1 4.36Å |
| 482 | H | 65.3 | Low | 60.3 | Low | 57 Ų | 57 | 61.2 Ų | 61.2 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142 | -178.7 | -66 | 105.5 | 0 | 0 | 0 | 109.4 | V468 D469 S470 F472 I486 | V468-H482 WeakPolarHBondContact CG1-O 3.48Å; D469-H482 PolarHBondContact N-O 3.26Å; D469-H482 VanDerWaalsContact N-O 3.15Å; S470-H482 PolarHBondContact N-O 3.06Å; S470-H482 PolarHBondContact O-N 3.33Å; F472-H482 AromaticContact CE1-CE1 3.62Å; F472-H482 AromaticContact CE1-ND1 3.94Å; H482-I486 HydrophobicContact CB-CD1 3.14Å; H482-I486 HydrophobicContact CB-CG1 3.54Å |
| 483 | V | 57.4 | Low | 59.7 | Low | 37 Ų | 37 | 63.8 Ų | 63.8 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | trans | -133 | 121.4 | -178.7 | 179.5 | 0 | 0 | 0 | 0 | 106.3 | P465 D467 V468 | P465-V483 HydrophobicContact CB-CB 4.18Å; P465-V483 HydrophobicContact CB-CG1 3.64Å; P465-V483 HydrophobicContact CB-CG2 3.85Å; P465-V483 HydrophobicContact CG-CB 3.9Å; P465-V483 HydrophobicContact CG-CG1 3.84Å; P465-V483 HydrophobicContact CG-CG2 3.6Å; D467-V483 WeakPolarHBondContact O-CG1 3.23Å; V468-V483 HydrophobicContact CB-CG2 4.5Å; V468-V483 HydrophobicContact CG2-CG2 3.99Å | ||
| 484 | N | 57.8 | Low | 59.3 | Low | 111 Ų | 111 | 67.6 Ų | 67.6 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 55.1 | 122.3 | 177.4 | -68.7 | -53 | 0 | 0 | 0 | 116.1 | D469 | D469-N484 WeakPolarHBondContact OD2-CA 3.46Å; D469-N484 PolarHBondContact OD2-N 3.31Å |
| 485 | G | 57.8 | Low | 59.1 | Low | 30 Ų | 30 | 70.7 Ų | 70.7 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | trans | 82.3 | 31.4 | 159 | 0 | 0 | 0 | 0 | 0 | 116.6 | K487 | G485-K487 PolarHBondContact O-N 3.01Š| ||
| 486 | I | 62.7 | Low | 59.4 | Low | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.128 | 39% | 0.385 | C | S | . | . | trans | -65.1 | 125.6 | 174 | -52.6 | 166.6 | 0 | 0 | 0 | 109.1 | E323 I324 L327 S470 H482 | E323-I486 WeakPolarHBondContact CA-O 3.5Å; I324-I486 WeakPolarHBondContact CG1-O 3.49Å; I324-I486 PolarHBondContact N-O 2.9Å; L327-I486 HydrophobicContact CD1-CG2 3.95Å; S470-I486 WeakPolarHBondContact OG-CD1 3.49Å; H482-I486 HydrophobicContact CB-CD1 3.14Å; H482-I486 HydrophobicContact CB-CG1 3.54Å | ||
| 487 | K | 64.4 | Low | 60 | Low | 116 Ų | 116 | 69.9 Ų | 69.9 | 50% | 0.504 | 36% | 0.364 | S | S | . | . | trans | -107.5 | 142.4 | 167.4 | -66.9 | 168.1 | 171.4 | -167.2 | 0 | 108 | C320 G485 | C320-K487 WeakPolarHBondContact O-CD 3.26Å; G485-K487 PolarHBondContact O-N 3.01Å | ||
| 488 | A | 58.6 | Low | 60.5 | Low | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | trans | -105.1 | 87.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P319 I324 A336 L345 | P319-A488 CarbonylContact C-O 3.56Å; P319-A488 HydrophobicContact CB-CB 3.98Å; P319-A488 WeakPolarHBondContact CB-O 3.37Å; P319-A488 PolarHBondContact O-N 2.9Å; I324-A488 HydrophobicContact CD1-CB 4.09Å; I324-A488 HydrophobicContact CG1-CB 4.03Å; A336-A488 HydrophobicContact CB-CB 3.9Å; L345-A488 HydrophobicContact CD1-CB 4.37Å; L345-A488 HydrophobicContact CD2-CB 4.02Å | ||
| 489 | C | 57.6 | Low | 60.8 | Low | 104 Ų | 104 | 67.8 Ų | 67.8 | 70% | 0.703 | 35% | 0.345 | S | S | * | . | trans | -126.7 | 0 | 160.5 | -46.1 | 0 | 0 | 0 | 0 | 107.7 | C320 | C320-C489 WeakPolarHBondContact CA-SG 3.32Å; C320-C489 HydrophobicContact CB-CB 4.4Å; C320-C489 WeakPolarHBondContact CB-SG 3.48Å; C320-C489 WeakPolarHBondContact SG-CB 3.48Å; C320-C489 CovalentContact SG-SG 2.02Å; C320-C489 PolarHBondContact SG-SG 3.28Å |
Retrieved 489 of 489 residues in 372.7 ms
(Link to these results)