| 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 | 44.9 | Very low | 57.4 | Low | 238 Ų | 238 | 125.4 Ų | 125.4 | 100% | 1.172 | 65% | 0.654 | S | S | * | * | 0 | 104.2 | 0 | -66.5 | 176.4 | 115.3 | 0 | 0 | 107 | N3 | M1-N3 PolarHBondContact O-N 2.91Š| |||
| 2 | L | 50.9 | Low | 57.2 | Low | 150 Ų | 150 | 122.9 Ų | 122.9 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | trans | -65.1 | 124.9 | 175.7 | -97.5 | 91.5 | 0 | 0 | 0 | 108.3 | G4 | L2-G4 PolarHBondContact O-N 2.97Š| ||
| 3 | N | 54.2 | Low | 56.9 | Low | 122 Ų | 122 | 124.5 Ų | 124.5 | 65% | 0.652 | 64% | 0.64 | S | S | * | * | trans | -62.4 | 124.5 | -171.6 | -133.4 | -6.5 | 0 | 0 | 0 | 109.4 | M1 W5 T6 | M1-N3 PolarHBondContact O-N 2.91Å; N3-W5 PolarHBondContact O-N 2.81Å; N3-T6 PolarHBondContact O-N 3.17Å; N3-T6 PolarHBondContact O-OG1 2.63Å | ||
| 4 | G | 60.6 | Low | 56.6 | Low | 52 Ų | 52 | 120.6 Ų | 120.6 | 54% | 0.536 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -53.4 | -20.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2 L8 | L2-G4 PolarHBondContact O-N 2.97Å; G4-L8 PolarHBondContact O-N 2.84Å |
| 5 | W | 60.2 | Low | 56 | Low | 212 Ų | 212 | 124.9 Ų | 124.9 | 80% | 0.803 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | 173.2 | -82 | 49.6 | 0 | 0 | 0 | 114.2 | N3 F7 L8 I9 | N3-W5 PolarHBondContact O-N 2.81Å; W5-F7 VanDerWaalsContact C-N 3.33Å; W5-F7 PolarHBondContact O-N 2.94Å; W5-L8 PolarHBondContact O-N 2.59Å; W5-I9 WeakPolarHBondContact O-CG1 3.19Å; W5-I9 PolarHBondContact O-N 2.92Å |
| 6 | T | 61.9 | Low | 55.2 | Low | 71 Ų | 71 | 127.9 Ų | 127.9 | 44% | 0.436 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.7 | -36.2 | 177.7 | 45.2 | 0 | 0 | 0 | 0 | 112.2 | N3 V10 | N3-T6 PolarHBondContact O-N 3.17Å; N3-T6 PolarHBondContact O-OG1 2.63Å; T6-V10 VanDerWaalsContact O-CG2 3.28Å; T6-V10 WeakPolarHBondContact O-CG2 3.34Å; T6-V10 PolarHBondContact O-N 2.96Å |
| 7 | F | 57.7 | Low | 54.5 | Low | 143 Ų | 143 | 127.5 Ų | 127.5 | 63% | 0.627 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.4 | -40.6 | 178.7 | -114.6 | -87.3 | 0 | 0 | 0 | 112.3 | W5 V10 T11 | W5-F7 VanDerWaalsContact C-N 3.33Å; W5-F7 PolarHBondContact O-N 2.94Å; F7-V10 PolarHBondContact O-N 2.97Å; F7-T11 PolarHBondContact O-N 3.35Å; F7-T11 VanDerWaalsContact O-N 3.09Å; F7-T11 PolarHBondContact O-OG1 2.62Å |
| 8 | L | 60.8 | Low | 53.9 | Low | 122 Ų | 122 | 126.5 Ų | 126.5 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.5 | -37 | -177.8 | -141.7 | 107.4 | 0 | 0 | 0 | 112.5 | G4 W5 T11 L12 | G4-L8 PolarHBondContact O-N 2.84Å; W5-L8 PolarHBondContact O-N 2.59Å; L8-T11 PolarHBondContact O-OG1 3.18Å; L8-L12 WeakPolarHBondContact O-CB 3.14Å; L8-L12 PolarHBondContact O-N 3.5Å |
| 9 | I | 62.8 | Low | 53.4 | Low | 104 Ų | 104 | 125.3 Ų | 125.3 | 53% | 0.533 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.8 | -43.4 | 177.4 | -65.6 | 170.5 | 0 | 0 | 0 | 110 | W5 L12 F13 | W5-I9 WeakPolarHBondContact O-CG1 3.19Å; W5-I9 PolarHBondContact O-N 2.92Å; I9-L12 PolarHBondContact O-N 3.02Å; I9-F13 WeakPolarHBondContact O-CB 3.29Å; I9-F13 PolarHBondContact O-N 3.22Å |
| 10 | V | 59.5 | Low | 52.7 | Low | 92 Ų | 92 | 127.4 Ų | 127.4 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.3 | -41.3 | -179.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | T6 F7 F13 T14 | T6-V10 VanDerWaalsContact O-CG2 3.28Å; T6-V10 WeakPolarHBondContact O-CG2 3.34Å; T6-V10 PolarHBondContact O-N 2.96Å; F7-V10 PolarHBondContact O-N 2.97Å; V10-F13 PolarHBondContact O-N 2.86Å; V10-T14 HydrophobicContact CG1-CG2 4.46Å; V10-T14 WeakPolarHBondContact O-CG2 3.43Å; V10-T14 PolarHBondContact O-N 2.89Å; V10-T14 PolarHBondContact O-OG1 2.77Å; V10-T14 VanDerWaalsContact O-OG1 3.06Å |
| 11 | T | 57.6 | Low | 52.1 | Low | 73 Ų | 73 | 126.5 Ų | 126.5 | 45% | 0.448 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.4 | -37.7 | 175.4 | 42.3 | 0 | 0 | 0 | 0 | 112.8 | F7 L8 T14 Y15 | F7-T11 PolarHBondContact O-N 3.35Å; F7-T11 VanDerWaalsContact O-N 3.09Å; F7-T11 PolarHBondContact O-OG1 2.62Å; L8-T11 PolarHBondContact O-OG1 3.18Å; T11-T14 WeakPolarHBondContact CA-OG1 3.19Å; T11-T14 PolarHBondContact O-OG1 3.48Å; T11-T14 VanDerWaalsContact O-OG1 3.09Å; T11-Y15 WeakPolarHBondContact O-CB 3.46Å; T11-Y15 PolarHBondContact O-N 3.28Å |
| 12 | L | 55.7 | Low | 51.6 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.8 | -44.5 | 171.4 | -117.7 | 92.1 | 0 | 0 | 0 | 111 | L8 I9 T14 Y15 Y16 | L8-L12 WeakPolarHBondContact O-CB 3.14Å; L8-L12 PolarHBondContact O-N 3.5Å; I9-L12 PolarHBondContact O-N 3.02Å; L12-T14 PolarHBondContact O-N 2.87Å; L12-Y15 PolarHBondContact O-N 2.84Å; L12-Y16 HydrophobicContact CD2-CD2 4.39Å; L12-Y16 HydrophobicContact CD2-CE2 4Å; L12-Y16 HydrophobicContact CG-CE2 4.46Å; L12-Y16 WeakPolarHBondContact O-CB 3.4Å; L12-Y16 VanDerWaalsContact O-CD2 3.31Å; L12-Y16 WeakPolarHBondContact O-CD2 3.5Å; L12-Y16 PolarHBondContact O-N 3.34Å |
| 13 | F | 52.9 | Low | 50.8 | Low | 143 Ų | 143 | 118.3 Ų | 118.3 | 63% | 0.627 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.4 | -42.4 | -179.4 | -128.4 | -100 | 0 | 0 | 0 | 111.6 | I9 V10 Y16 L17 | I9-F13 WeakPolarHBondContact O-CB 3.29Å; I9-F13 PolarHBondContact O-N 3.22Å; V10-F13 PolarHBondContact O-N 2.86Å; F13-Y16 PolarHBondContact O-N 3.29Å; F13-L17 HydrophobicContact CD1-CD1 3.67Å; F13-L17 HydrophobicContact CE1-CD1 4.25Å; F13-L17 WeakPolarHBondContact O-CB 3.43Å; F13-L17 WeakPolarHBondContact O-CD1 3.47Å; F13-L17 WeakPolarHBondContact O-CG 3.36Å; F13-L17 PolarHBondContact O-N 3.42Å |
| 14 | T | 52.4 | Low | 49.8 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 43% | 0.429 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.9 | -39.2 | 174.9 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | V10 T11 L12 Y16 L17 T18 | V10-T14 HydrophobicContact CG1-CG2 4.46Å; V10-T14 WeakPolarHBondContact O-CG2 3.43Å; V10-T14 PolarHBondContact O-N 2.89Å; V10-T14 PolarHBondContact O-OG1 2.77Å; V10-T14 VanDerWaalsContact O-OG1 3.06Å; T11-T14 WeakPolarHBondContact CA-OG1 3.19Å; T11-T14 PolarHBondContact O-OG1 3.48Å; T11-T14 VanDerWaalsContact O-OG1 3.09Å; L12-T14 PolarHBondContact O-N 2.87Å; T14-Y16 PolarHBondContact O-N 3.47Å; T14-L17 PolarHBondContact O-N 2.88Å; T14-T18 WeakPolarHBondContact O-CG2 3.14Å; T14-T18 PolarHBondContact O-N 2.98Å; T14-T18 PolarHBondContact O-OG1 3.39Å |
| 15 | Y | 47.9 | Very low | 48.4 | Very low | 186 Ų | 186 | 117.1 Ų | 117.1 | 73% | 0.729 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.6 | -36.6 | 176 | -138.6 | -94.3 | 0 | 0 | 0 | 112.6 | T11 L12 | T11-Y15 WeakPolarHBondContact O-CB 3.46Å; T11-Y15 PolarHBondContact O-N 3.28Å; L12-Y15 PolarHBondContact O-N 2.84Å |
| 16 | Y | 43.5 | Very low | 47.9 | Very low | 172 Ų | 172 | 107.3 Ų | 107.3 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.5 | -33.3 | 173 | -92.2 | -85.4 | 0 | 0 | 0 | 112.5 | L12 F13 T14 | L12-Y16 HydrophobicContact CD2-CD2 4.39Å; L12-Y16 HydrophobicContact CD2-CE2 4Å; L12-Y16 HydrophobicContact CG-CE2 4.46Å; L12-Y16 WeakPolarHBondContact O-CB 3.4Å; L12-Y16 VanDerWaalsContact O-CD2 3.31Å; L12-Y16 WeakPolarHBondContact O-CD2 3.5Å; L12-Y16 PolarHBondContact O-N 3.34Å; F13-Y16 PolarHBondContact O-N 3.29Å; T14-Y16 PolarHBondContact O-N 3.47Å |
| 17 | L | 43.5 | Very low | 47.5 | Very low | 121 Ų | 121 | 104 Ų | 104 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -77.4 | -27.1 | 176.4 | -85.3 | 153.3 | 0 | 0 | 0 | 113.5 | F13 T14 | F13-L17 HydrophobicContact CD1-CD1 3.67Å; F13-L17 HydrophobicContact CE1-CD1 4.25Å; F13-L17 WeakPolarHBondContact O-CB 3.43Å; F13-L17 WeakPolarHBondContact O-CD1 3.47Å; F13-L17 WeakPolarHBondContact O-CG 3.36Å; F13-L17 PolarHBondContact O-N 3.42Å; T14-L17 PolarHBondContact O-N 2.88Å |
| 18 | T | 43.4 | Very low | 47.7 | Very low | 110 Ų | 110 | 102.8 Ų | 102.8 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -0.5 | -176.9 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | T14 | T14-T18 WeakPolarHBondContact O-CG2 3.14Å; T14-T18 PolarHBondContact O-N 2.98Å; T14-T18 PolarHBondContact O-OG1 3.39Å |
| 19 | C | 45.1 | Very low | 47.6 | Very low | 104 Ų | 104 | 98.7 Ų | 98.7 | 70% | 0.703 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | 36 | -179.1 | -153.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 20 | Q | 37.9 | Very low | 48.2 | Very low | 167 Ų | 167 | 94.2 Ų | 94.2 | 78% | 0.78 | 50% | 0.499 | S | S | * | . | trans | -113.6 | 31.8 | 167.2 | -71.5 | -80.6 | -24.1 | 0 | 0 | 111.1 | ||||
| 21 | C | 41.1 | Very low | 49.5 | Very low | 109 Ų | 109 | 95.4 Ų | 95.4 | 74% | 0.736 | 50% | 0.499 | S | S | * | . | trans | -115.8 | 64.7 | 177.4 | -71.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 22 | V | 34 | Very low | 51 | Low | 116 Ų | 116 | 94.2 Ų | 94.2 | 70% | 0.703 | 49% | 0.492 | S | S | * | . | trans | -142.4 | 72.4 | 149.5 | -167 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 23 | S | 34.5 | Very low | 52.7 | Low | 100 Ų | 100 | 90 Ų | 90 | 70% | 0.699 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 132.9 | 171.1 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 24 | T | 32.9 | Very low | 54.6 | Low | 76 Ų | 76 | 90 Ų | 90 | 47% | 0.466 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 149.2 | -175.7 | 50.3 | 0 | 0 | 0 | 0 | 115 | ||
| 25 | W | 31.3 | Very low | 56.5 | Low | 72 Ų | 72 | 92.7 Ų | 92.7 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 151.7 | -167.3 | -41.4 | 73.4 | 0 | 0 | 0 | 113.5 | P214 G236 L245 V247 | W25-P214 HydrophobicContact CB-CG 4.1Å; W25-P214 HydrophobicContact CG-CG 4.49Å; W25-P214 WeakPolarHBondContact O-CD 3.01Å; W25-G236 VanDerWaalsContact CH2-C 3.47Å; W25-L245 HydrophobicContact CD2-CD2 4.37Å; W25-L245 HydrophobicContact CE3-CD1 4.07Å; W25-L245 HydrophobicContact CE3-CD2 3.58Å; W25-L245 HydrophobicContact CE3-CG 4.06Å; W25-L245 HydrophobicContact CH2-CD1 2.99Å; W25-L245 HydrophobicContact CH2-CD2 4.13Å; W25-L245 HydrophobicContact CH2-CG 3.8Å; W25-L245 HydrophobicContact CZ2-CD1 3.82Å; W25-L245 HydrophobicContact CZ3-CD1 3.14Å; W25-L245 HydrophobicContact CZ3-CD2 3.41Å; W25-L245 VanDerWaalsContact CZ3-CD2 3.41Å; W25-L245 HydrophobicContact CZ3-CG 3.34Å; W25-V247 HydrophobicContact CE3-CG2 4.46Å; W25-V247 HydrophobicContact CZ3-CG2 4.24Å |
| 26 | L | 48.6 | Very low | 58.6 | Low | 6 Ų | 6 | 85.9 Ų | 85.9 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -169.9 | 166.6 | -178.1 | -100.6 | -179.1 | 0 | 0 | 0 | 113.2 | R28 Q166 D167 I211 A212 | L26-R28 HydrophobicContact CB-CB 4.14Å; L26-R28 VanDerWaalsContact CB-N 3.3Å; L26-R28 PolarHBondContact O-N 3.29Å; L26-Q166 WeakPolarHBondContact CD2-O 3.4Å; L26-Q166 WeakPolarHBondContact CG-O 3.44Å; L26-D167 HydrophobicContact CD1-CB 3.57Å; L26-D167 WeakPolarHBondContact CD1-OD1 3.32Å; L26-D167 VanDerWaalsContact CD2-CA 3.47Å; L26-D167 HydrophobicContact CD2-CB 3.7Å; L26-D167 HydrophobicContact CG-CB 4.08Å; L26-I211 CarbonylContact C-O 3.51Å; L26-I211 VanDerWaalsContact C-O 3.28Å; L26-I211 CarbonylContact O-C 3.51Å; L26-I211 WeakPolarHBondContact O-CG2 3.47Å; L26-A212 PolarHBondContact N-O 2.77Å; L26-A212 CarbonylContact O-C 3.23Å; L26-A212 VanDerWaalsContact O-C 3.26Å; L26-A212 WeakPolarHBondContact O-CA 3.4Å; L26-A212 PolarHBondContact O-N 2.88Å |
| 27 | I | 54.3 | Low | 61 | Low | 2 Ų | 2 | 81.8 Ų | 81.8 | 1% | 0.01 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -57.6 | 71.8 | 133.1 | -46.1 | -177.4 | 0 | 0 | 0 | 110.5 | S29 G30 M161 K182 Q210 I211 D216 | I27-S29 PolarHBondContact O-N 2.95Å; I27-G30 PolarHBondContact O-N 2.66Å; I27-M161 HydrophobicContact CD1-CB 4.49Å; I27-M161 HydrophobicContact CD1-CG 4.05Å; I27-M161 HydrophobicContact CG1-CG 4.29Å; I27-M161 HydrophobicContact CG1-SD 4.15Å; I27-M161 HydrophobicContact CG2-CE 4.08Å; I27-M161 HydrophobicContact CG2-SD 4.45Å; I27-K182 HydrophobicContact CD1-CB 4.47Å; I27-K182 WeakPolarHBondContact CD1-O 3.35Å; I27-Q210 HydrophobicContact CG2-CB 4.49Å; I27-I211 WeakPolarHBondContact CA-O 3.31Å; I27-I211 PolarHBondContact N-O 2.72Å; I27-D216 PolarHBondContact N-OD2 2.87Å; I27-D216 VanDerWaalsContact N-OD2 3.07Å |
| 28 | R | 61.7 | Low | 63.5 | Low | 117 Ų | 117 | 79 Ų | 79 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 120.4 | -174.2 | 178.4 | -167.6 | 170.6 | -158.7 | 2.2 | 106.4 | L26 G30 S208 K209 Q210 I211 | L26-R28 HydrophobicContact CB-CB 4.14Å; L26-R28 VanDerWaalsContact CB-N 3.3Å; L26-R28 PolarHBondContact O-N 3.29Å; R28-G30 PolarHBondContact O-N 3.09Å; R28-G30 VanDerWaalsContact O-N 3.15Å; R28-S208 PolarHBondContact NH1-O 2.93Å; R28-K209 CarbonylContact C-O 3.56Å; R28-K209 VanDerWaalsContact C-O 3.23Å; R28-K209 WeakPolarHBondContact CB-O 3.45Å; R28-K209 WeakPolarHBondContact CD-O 3.39Å; R28-K209 WeakPolarHBondContact CG-O 3.26Å; R28-K209 CarbonylContact O-C 3.51Å; R28-K209 VanDerWaalsContact O-C 3.29Å; R28-Q210 WeakPolarHBondContact O-CA 3.19Å; R28-Q210 WeakPolarHBondContact O-CB 3.34Å; R28-Q210 WeakPolarHBondContact O-CG 3.48Å; R28-I211 HydrophobicContact CB-CG2 4.32Å |
| 29 | S | 58.7 | Low | 66.1 | Low | 36 Ų | 36 | 74.2 Ų | 74.2 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 26.4 | 179.5 | -26.4 | 0 | 0 | 0 | 0 | 113 | I27 R169 K209 Q210 | I27-S29 PolarHBondContact O-N 2.95Å; S29-R169 PolarHBondContact OG-NH2 2.86Å; S29-K209 PolarHBondContact OG-O 2.8Å; S29-Q210 PolarHBondContact O-NE2 3.16Å |
| 30 | G | 76 | Confident | 68.6 | Low | 11 Ų | 11 | 69.7 Ų | 69.7 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 161.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.8 | I27 R28 K183 | I27-G30 PolarHBondContact O-N 2.66Å; R28-G30 PolarHBondContact O-N 3.09Å; R28-G30 VanDerWaalsContact O-N 3.15Å; G30-K183 CarbonylContact C-O 3.56Å; G30-K183 WeakPolarHBondContact CA-O 3.1Å |
| 31 | E | 87 | Confident | 71.5 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 55% | 0.547 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.8 | 175.6 | -65.5 | 178.1 | 176.7 | 0 | 0 | 109.3 | V33 K182 K183 | E31-V33 PolarHBondContact O-N 3.18Å; E31-K182 CarbonylContact O-C 3.25Å; E31-K182 VanDerWaalsContact O-CA 3.31Å; E31-K182 WeakPolarHBondContact O-CA 3.1Å; E31-K183 HydrophobicContact CB-CG 4.27Å; E31-K183 PolarHBondContact N-O 2.85Å; E31-K183 PolarHBondContact O-N 2.55Å; E31-K183 WeakPolarHBondContact OE2-CE 3.36Å |
| 32 | P | 88.8 | Confident | 74.2 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 31% | 0.312 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 130.8 | 167.6 | -22.9 | 33.2 | 0 | 0 | 0 | 110.9 | Q34 I180 | P32-Q34 PolarHBondContact O-N 2.9Å; P32-Q34 PolarHBondContact O-NE2 2.96Å; P32-I180 HydrophobicContact CB-CG2 4.33Å |
| 33 | V | 92 | Very high | 77.3 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 125.8 | 173.3 | 173.2 | 0 | 0 | 0 | 0 | 108.8 | E31 Q35 E38 F39 L83 L181 K183 | E31-V33 PolarHBondContact O-N 3.18Å; V33-Q35 VanDerWaalsContact CG1-O 3.24Å; V33-Q35 WeakPolarHBondContact CG1-O 2.91Å; V33-E38 HydrophobicContact CG1-CB 3.97Å; V33-F39 HydrophobicContact CG1-CD2 4.21Å; V33-F39 HydrophobicContact CG2-CD2 3.73Å; V33-F39 HydrophobicContact CG2-CE2 3.91Å; V33-L83 HydrophobicContact CB-CD2 4.32Å; V33-L83 HydrophobicContact CG1-CD2 3.94Å; V33-L83 WeakPolarHBondContact O-CD2 2.88Å; V33-L181 HydrophobicContact CB-CB 4.37Å; V33-L181 HydrophobicContact CB-CD2 4.03Å; V33-L181 HydrophobicContact CB-CG 4.02Å; V33-L181 HydrophobicContact CG1-CD2 4.1Å; V33-L181 HydrophobicContact CG2-CD2 4.08Å; V33-L181 HydrophobicContact CG2-CG 3.82Å; V33-L181 PolarHBondContact N-O 3.45Å; V33-K183 HydrophobicContact CG2-CB 4.16Å; V33-K183 HydrophobicContact CG2-CD 4.24Å; V33-K183 HydrophobicContact CG2-CG 4.41Å |
| 34 | Q | 91.3 | Very high | 80.3 | Confident | 143 Ų | 143 | 46.8 Ų | 46.8 | 67% | 0.668 | 23% | 0.232 | S | C | * | . | trans | -89.8 | -29.8 | -175.2 | -60 | -59.1 | -50.9 | 0 | 0 | 112.5 | P32 | P32-Q34 PolarHBondContact O-N 2.9Å; P32-Q34 PolarHBondContact O-NE2 2.96Å | ||
| 35 | Q | 93.7 | Very high | 83.4 | Confident | 126 Ų | 126 | 43.3 Ų | 43.3 | 59% | 0.589 | 21% | 0.211 | S | C | * | . | trans | -119.9 | 127.8 | -176 | -60.7 | -178 | 16.9 | 0 | 0 | 110.5 | V33 T37 E38 | V33-Q35 VanDerWaalsContact CG1-O 3.24Å; V33-Q35 WeakPolarHBondContact CG1-O 2.91Å; Q35-T37 PolarHBondContact O-N 2.71Å; Q35-T37 VanDerWaalsContact O-N 3.1Å; Q35-E38 HydrophobicContact CB-CB 4.41Å; Q35-E38 VanDerWaalsContact O-CB 3.22Å; Q35-E38 WeakPolarHBondContact O-CB 3.31Å; Q35-E38 PolarHBondContact O-N 3.47Å | ||
| 36 | R | 92 | Very high | 86.4 | Confident | 43 Ų | 43 | 41 Ų | 41 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -29.2 | 179.2 | -66.8 | 164.5 | -173.3 | -97.9 | -6.6 | 113.5 | E38 L81 L83 D87 R89 | R36-E38 VanDerWaalsContact C-N 3.32Å; R36-L81 HydrophobicContact CB-CB 4.16Å; R36-L81 WeakPolarHBondContact CG-O 3.28Å; R36-L81 PolarHBondContact NH1-O 3.04Å; R36-L81 WeakPolarHBondContact O-CD2 3.36Å; R36-L83 HydrophobicContact CG-CD1 3.98Å; R36-L83 HydrophobicContact CG-CD2 4.03Å; R36-L83 HydrophobicContact CG-CG 3.65Å; R36-D87 VanDerWaalsContact CZ-CG 3.41Å; R36-D87 IonicContact CZ-OD1 3.34Å; R36-D87 IonicContact CZ-OD2 2.77Å; R36-D87 IonicContact NE-OD2 3.97Å; R36-D87 IonicContact NH1-OD1 2.72Å; R36-D87 PolarHBondContact NH1-OD1 3.07Å; R36-D87 IonicContact NH1-OD2 2.67Å; R36-D87 PolarHBondContact NH1-OD2 3.26Å; R36-D87 IonicContact NH2-OD1 2.62Å; R36-D87 PolarHBondContact NH2-OD1 2.79Å; R36-D87 IonicContact NH2-OD2 2.63Å; R36-D87 PolarHBondContact NH2-OD2 2.61Å; R36-R89 VanDerWaalsContact NH1-CB 3.31Å; R36-R89 VanDerWaalsContact NH2-CZ 3.25Å |
| 37 | T | 93.7 | Very high | 88.5 | Confident | 86 Ų | 86 | 41.2 Ų | 41.2 | 53% | 0.528 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -0.4 | -178.3 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | Q35 P40 | Q35-T37 PolarHBondContact O-N 2.71Å; Q35-T37 VanDerWaalsContact O-N 3.1Å; T37-P40 WeakPolarHBondContact O-CD 3.28Å |
| 38 | E | 96.2 | Very high | 90.2 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -44.2 | 178.8 | -166.3 | -179.2 | 168.2 | 0 | 0 | 111.4 | V33 Q35 R36 P40 K183 | V33-E38 HydrophobicContact CG1-CB 3.97Å; Q35-E38 HydrophobicContact CB-CB 4.41Å; Q35-E38 VanDerWaalsContact O-CB 3.22Å; Q35-E38 WeakPolarHBondContact O-CB 3.31Å; Q35-E38 PolarHBondContact O-N 3.47Å; R36-E38 VanDerWaalsContact C-N 3.32Å; E38-P40 VanDerWaalsContact C-CD 3.44Å; E38-P40 WeakPolarHBondContact O-CD 3.38Å; E38-K183 VanDerWaalsContact CD-NZ 3.32Å; E38-K183 WeakPolarHBondContact OE1-CD 3.44Å; E38-K183 IonicContact OE1-NZ 2.93Å; E38-K183 PolarHBondContact OE1-NZ 2.88Å; E38-K183 IonicContact OE2-NZ 3.11Å; E38-K183 PolarHBondContact OE2-NZ 2.97Å |
| 39 | F | 97.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.044 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -123.5 | 65.4 | 175 | -62.7 | -87 | 0 | 0 | 0 | 110.7 | V33 F41 I42 V162 K183 L222 P225 | V33-F39 HydrophobicContact CG1-CD2 4.21Å; V33-F39 HydrophobicContact CG2-CD2 3.73Å; V33-F39 HydrophobicContact CG2-CE2 3.91Å; F39-F41 HydrophobicContact CB-CZ 4.33Å; F39-F41 HydrophobicContact CD1-CE1 4.44Å; F39-F41 HydrophobicContact CD1-CE2 4.28Å; F39-F41 AromaticContact CD1-CZ 3.71Å; F39-F41 HydrophobicContact CD1-CZ 3.71Å; F39-F41 PolarHBondContact O-N 2.77Å; F39-I42 HydrophobicContact CB-CB 4.49Å; F39-I42 HydrophobicContact CB-CG1 3.69Å; F39-I42 PolarHBondContact O-N 2.71Å; F39-I42 VanDerWaalsContact O-N 3.11Å; F39-V162 HydrophobicContact CB-CG2 4.25Å; F39-V162 HydrophobicContact CD1-CB 4.24Å; F39-V162 HydrophobicContact CD1-CG1 3.94Å; F39-V162 HydrophobicContact CD1-CG2 4.24Å; F39-V162 HydrophobicContact CD2-CG2 4.2Å; F39-V162 HydrophobicContact CE1-CB 4.41Å; F39-V162 HydrophobicContact CE1-CG1 4.32Å; F39-V162 HydrophobicContact CG-CB 4.46Å; F39-V162 HydrophobicContact CG-CG1 4.44Å; F39-V162 HydrophobicContact CG-CG2 3.97Å; F39-K183 HydrophobicContact CE2-CB 3.87Å; F39-K183 HydrophobicContact CE2-CD 3.62Å; F39-K183 HydrophobicContact CE2-CG 4.37Å; F39-K183 HydrophobicContact CZ-CB 3.95Å; F39-K183 HydrophobicContact CZ-CD 4Å; F39-L222 HydrophobicContact CE1-CD1 4.38Å; F39-P225 HydrophobicContact CE1-CB 4.26Å; F39-P225 WeakPolarHBondContact CE1-O 3.44Å; F39-P225 HydrophobicContact CZ-CB 4.43Å |
| 40 | P | 97.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -1.5 | -167.2 | 29.7 | -33.4 | 0 | 0 | 0 | 114.1 | T37 E38 L81 G140 V141 K142 | T37-P40 WeakPolarHBondContact O-CD 3.28Å; E38-P40 VanDerWaalsContact C-CD 3.44Å; E38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-L81 HydrophobicContact CB-CD2 4.1Å; P40-G140 VanDerWaalsContact CB-O 3.24Å; P40-G140 WeakPolarHBondContact CB-O 3.4Å; P40-V141 WeakPolarHBondContact O-CA 3.49Å; P40-V141 WeakPolarHBondContact O-CG1 3.34Å; P40-K142 HydrophobicContact CB-CB 4.32Å; P40-K142 HydrophobicContact CB-CG 4.14Å; P40-K142 HydrophobicContact CG-CB 3.9Å; P40-K142 HydrophobicContact CG-CD 3.78Å; P40-K142 HydrophobicContact CG-CG 3.73Å; P40-K142 PolarHBondContact O-N 2.96Å; P40-K142 VanDerWaalsContact O-N 3.11Å |
| 41 | F | 98.4 | Very high | 93.7 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 4% | 0.044 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -8.3 | 175.9 | 47.5 | -97.8 | 0 | 0 | 0 | 113 | F39 S55 L56 K142 I144 P220 L222 | F39-F41 HydrophobicContact CB-CZ 4.33Å; F39-F41 HydrophobicContact CD1-CE1 4.44Å; F39-F41 HydrophobicContact CD1-CE2 4.28Å; F39-F41 AromaticContact CD1-CZ 3.71Å; F39-F41 HydrophobicContact CD1-CZ 3.71Å; F39-F41 PolarHBondContact O-N 2.77Å; F41-S55 CarbonylContact O-C 3.55Å; F41-S55 WeakPolarHBondContact O-CA 3.3Å; F41-L56 PolarHBondContact O-N 2.89Å; F41-K142 WeakPolarHBondContact CA-O 3.39Å; F41-K142 WeakPolarHBondContact CB-O 3.35Å; F41-I144 HydrophobicContact CB-CB 3.9Å; F41-I144 HydrophobicContact CB-CG2 4.29Å; F41-I144 HydrophobicContact CD1-CB 4.1Å; F41-I144 HydrophobicContact CD1-CD1 4.08Å; F41-I144 HydrophobicContact CD1-CG1 4.36Å; F41-I144 HydrophobicContact CD2-CB 4.13Å; F41-I144 HydrophobicContact CD2-CD1 3.78Å; F41-I144 HydrophobicContact CD2-CG2 4.32Å; F41-I144 HydrophobicContact CE1-CD1 3.85Å; F41-I144 HydrophobicContact CE1-CG1 4.49Å; F41-I144 HydrophobicContact CE2-CD1 3.54Å; F41-I144 HydrophobicContact CG-CB 3.78Å; F41-I144 HydrophobicContact CG-CD1 4.04Å; F41-I144 HydrophobicContact CG-CG1 4.38Å; F41-I144 HydrophobicContact CG-CG2 4.34Å; F41-I144 HydrophobicContact CZ-CD1 3.56Å; F41-P220 HydrophobicContact CE2-CG 4.37Å; F41-L222 HydrophobicContact CE2-CD1 4.19Å; F41-L222 HydrophobicContact CE2-CD2 4.45Å; F41-L222 HydrophobicContact CZ-CD1 3.97Å |
| 42 | I | 98.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 130.3 | -175.1 | -63.7 | -65 | 0 | 0 | 0 | 111.3 | F39 T53 V162 Y164 L181 P220 | F39-I42 HydrophobicContact CB-CB 4.49Å; F39-I42 HydrophobicContact CB-CG1 3.69Å; F39-I42 PolarHBondContact O-N 2.71Å; F39-I42 VanDerWaalsContact O-N 3.11Å; I42-T53 HydrophobicContact CG2-CG2 3.89Å; I42-V162 HydrophobicContact CD1-CB 4.45Å; I42-V162 HydrophobicContact CD1-CG1 3.41Å; I42-V162 VanDerWaalsContact CD1-CG1 3.41Å; I42-V162 HydrophobicContact CD1-CG2 4.24Å; I42-V162 HydrophobicContact CG1-CG1 3.86Å; I42-V162 HydrophobicContact CG1-CG2 3.93Å; I42-Y164 HydrophobicContact CG2-CD2 4.49Å; I42-Y164 HydrophobicContact CG2-CE2 3.56Å; I42-L181 HydrophobicContact CG2-CD1 3.86Å; I42-P220 HydrophobicContact CD1-CG 3.45Å; I42-P220 VanDerWaalsContact CD1-CG 3.45Å |
| 43 | A | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L45 T53 G54 V62 V78 S79 F80 | A43-L45 HydrophobicContact CB-CD2 4Å; A43-T53 CarbonylContact O-C 3.59Å; A43-T53 WeakPolarHBondContact O-CA 3.31Å; A43-G54 PolarHBondContact N-O 3.25Å; A43-G54 PolarHBondContact O-N 3.21Å; A43-V62 HydrophobicContact CB-CG1 3.89Å; A43-V62 HydrophobicContact CB-CG2 4.47Å; A43-V78 HydrophobicContact CB-CG1 3.99Å; A43-S79 CarbonylContact C-O 3.57Å; A43-S79 WeakPolarHBondContact CA-O 3.19Å; A43-F80 HydrophobicContact CB-CD1 4.21Å; A43-F80 HydrophobicContact CB-CE1 3.66Å; A43-F80 HydrophobicContact CB-CZ 4.21Å |
| 44 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.7 | 159.6 | 174.2 | 63.3 | 0 | 0 | 0 | 108.3 | M46 M51 V78 S79 E85 Y164 | L44-M46 HydrophobicContact CD1-SD 3.75Å; L44-M46 HydrophobicContact CD2-CG 4.24Å; L44-M46 HydrophobicContact CD2-SD 3.88Å; L44-M46 HydrophobicContact CG-CG 4Å; L44-M46 HydrophobicContact CG-SD 3.76Å; L44-M51 HydrophobicContact CD1-CB 4.11Å; L44-V78 WeakPolarHBondContact O-CA 3Å; L44-S79 PolarHBondContact N-O 3.36Å; L44-S79 PolarHBondContact O-N 2.92Å; L44-E85 HydrophobicContact CD2-CB 3.96Å; L44-Y164 HydrophobicContact CB-CD2 4.06Å; L44-Y164 HydrophobicContact CB-CE1 4.17Å; L44-Y164 HydrophobicContact CB-CE2 3.57Å; L44-Y164 HydrophobicContact CD1-CD1 4.14Å; L44-Y164 HydrophobicContact CD1-CD2 3.76Å; L44-Y164 HydrophobicContact CD1-CE2 4.18Å; L44-Y164 HydrophobicContact CD1-CG 3.74Å; L44-Y164 HydrophobicContact CG-CE2 4.45Å |
| 45 | L | 97.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120 | 179.2 | -52.6 | -178.6 | 0 | 0 | 0 | 108.7 | A43 M51 C52 T53 V62 T64 I75 V78 I129 | A43-L45 HydrophobicContact CB-CD2 4Å; L45-M51 CarbonylContact O-C 3.56Å; L45-M51 WeakPolarHBondContact O-CA 3.49Å; L45-C52 HydrophobicContact CB-CB 4.08Å; L45-C52 WeakPolarHBondContact CB-O 3.31Å; L45-C52 HydrophobicContact CD1-CB 4.2Å; L45-C52 PolarHBondContact N-O 2.91Å; L45-C52 PolarHBondContact O-N 3.48Å; L45-T53 WeakPolarHBondContact CD1-O 3.24Å; L45-V62 HydrophobicContact CD2-CG1 4.24Å; L45-T64 HydrophobicContact CD1-CG2 3.9Å; L45-T64 VanDerWaalsContact CD1-OG1 3.24Å; L45-T64 WeakPolarHBondContact CD1-OG1 3.15Å; L45-I75 HydrophobicContact CB-CD1 4.21Å; L45-I75 HydrophobicContact CD1-CD1 4.17Å; L45-V78 HydrophobicContact CD2-CB 4.29Å; L45-V78 HydrophobicContact CD2-CG1 3.86Å; L45-V78 HydrophobicContact CD2-CG2 3.86Å; L45-I129 HydrophobicContact CD1-CD1 3.89Å; L45-I129 HydrophobicContact CD2-CD1 4.03Å |
| 46 | M | 95.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 11% | 0.113 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131 | -178 | -58.8 | -66.9 | -66.4 | 0 | 0 | 110.6 | L44 M51 I75 V76 R77 | L44-M46 HydrophobicContact CD1-SD 3.75Å; L44-M46 HydrophobicContact CD2-CG 4.24Å; L44-M46 HydrophobicContact CD2-SD 3.88Å; L44-M46 HydrophobicContact CG-CG 4Å; L44-M46 HydrophobicContact CG-SD 3.76Å; M46-M51 HydrophobicContact CE-CB 4.45Å; M46-M51 HydrophobicContact SD-CB 3.63Å; M46-I75 CarbonylContact O-C 3.29Å; M46-I75 WeakPolarHBondContact O-CA 3.47Å; M46-V76 WeakPolarHBondContact O-CG2 3.43Å; M46-V76 PolarHBondContact O-N 3.28Å; M46-R77 HydrophobicContact CB-CB 4.25Å; M46-R77 PolarHBondContact N-O 3.09Å; M46-R77 PolarHBondContact O-N 3.21Å |
| 47 | T | 93.2 | Very high | 95.8 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 7% | 0.067 | 16% | 0.155 | C | C | . | . | trans | -102.6 | 176.6 | 156.6 | 79.3 | 0 | 0 | 0 | 0 | 108.5 | A49 S50 T73 P74 I75 | T47-A49 PolarHBondContact O-N 3.06Å; T47-A49 PolarHBondContact OG1-N 2.89Å; T47-A49 VanDerWaalsContact OG1-N 3.14Å; T47-S50 PolarHBondContact N-O 3.47Å; T47-S50 PolarHBondContact OG1-N 3.36Å; T47-S50 PolarHBondContact OG1-O 3.35Å; T47-S50 PolarHBondContact OG1-OG 2.83Å; T47-T73 PolarHBondContact OG1-OG1 3.1Å; T47-P74 WeakPolarHBondContact CA-O 3.49Å; T47-P74 WeakPolarHBondContact CB-O 3.45Å; T47-P74 WeakPolarHBondContact CG2-O 3.43Å; T47-I75 HydrophobicContact CG2-CG1 4.11Å | ||
| 48 | D | 90.2 | Very high | 96 | Very high | 134 Ų | 134 | 22.5 Ų | 22.5 | 72% | 0.717 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -68.6 | -15 | 173.9 | -63 | -33.7 | 0 | 0 | 0 | 113.5 | ||
| 49 | A | 87.2 | Confident | 96.1 | Very high | 82 Ų | 82 | 21.7 Ų | 21.7 | 68% | 0.678 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -121.8 | -15.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T47 T73 | T47-A49 PolarHBondContact O-N 3.06Å; T47-A49 PolarHBondContact OG1-N 2.89Å; T47-A49 VanDerWaalsContact OG1-N 3.14Å; A49-T73 HydrophobicContact CB-CG2 4.16Å |
| 50 | S | 89.4 | Confident | 96.1 | Very high | 60 Ų | 60 | 26.5 Ų | 26.5 | 42% | 0.42 | 16% | 0.155 | S | C | . | . | trans | -156.1 | 165.3 | -170.4 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | T47 | T47-S50 PolarHBondContact N-O 3.47Å; T47-S50 PolarHBondContact OG1-N 3.36Å; T47-S50 PolarHBondContact OG1-O 3.35Å; T47-S50 PolarHBondContact OG1-OG 2.83Å | ||
| 51 | M | 92 | Very high | 96.2 | Very high | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.1 | 171 | 64.8 | -179.7 | 178.4 | 0 | 0 | 110.8 | L44 L45 M46 Y164 Q166 | L44-M51 HydrophobicContact CD1-CB 4.11Å; L45-M51 CarbonylContact O-C 3.56Å; L45-M51 WeakPolarHBondContact O-CA 3.49Å; M46-M51 HydrophobicContact CE-CB 4.45Å; M46-M51 HydrophobicContact SD-CB 3.63Å; M51-Y164 WeakPolarHBondContact CE-O 3.43Å; M51-Q166 HydrophobicContact CE-CG 4.24Å |
| 52 | C | 95.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 7% | 0.074 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 171.8 | 168.4 | -86 | 0 | 0 | 0 | 0 | 109.5 | L45 C68 G215 S217 | L45-C52 HydrophobicContact CB-CB 4.08Å; L45-C52 WeakPolarHBondContact CB-O 3.31Å; L45-C52 HydrophobicContact CD1-CB 4.2Å; L45-C52 PolarHBondContact N-O 2.91Å; L45-C52 PolarHBondContact O-N 3.48Å; C52-C68 HydrophobicContact CB-CB 3.75Å; C52-C68 WeakPolarHBondContact CB-SG 3.34Å; C52-C68 WeakPolarHBondContact SG-CB 3.22Å; C52-C68 CovalentContact SG-SG 2.04Å; C52-C68 PolarHBondContact SG-SG 2.89Å; C52-G215 CarbonylContact C-O 3.6Å; C52-S217 WeakPolarHBondContact CB-O 3.42Å |
| 53 | T | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 155.1 | 171.1 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | I42 A43 L45 T64 G163 Y164 G215 S217 G218 G219 | I42-T53 HydrophobicContact CG2-CG2 3.89Å; A43-T53 CarbonylContact O-C 3.59Å; A43-T53 WeakPolarHBondContact O-CA 3.31Å; L45-T53 WeakPolarHBondContact CD1-O 3.24Å; T53-T64 PolarHBondContact O-OG1 3.17Å; T53-G163 WeakPolarHBondContact OG1-CA 3.3Å; T53-Y164 HydrophobicContact CG2-CD2 4.15Å; T53-Y164 HydrophobicContact CG2-CE2 4.38Å; T53-Y164 PolarHBondContact OG1-N 2.83Å; T53-G215 PolarHBondContact N-O 3.39Å; T53-G215 PolarHBondContact OG1-O 3.42Å; T53-S217 PolarHBondContact N-O 3.31Å; T53-S217 VanDerWaalsContact O-O 3.12Å; T53-G218 CarbonylContact O-C 3.54Å; T53-G218 VanDerWaalsContact O-CA 3.23Å; T53-G218 WeakPolarHBondContact O-CA 3.3Å; T53-G219 VanDerWaalsContact CG2-CA 3.47Å |
| 54 | G | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 176.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | A43 L63 | A43-G54 PolarHBondContact N-O 3.25Å; A43-G54 PolarHBondContact O-N 3.21Å; G54-L63 CarbonylContact C-O 3.53Å; G54-L63 VanDerWaalsContact CA-O 3.25Å; G54-L63 WeakPolarHBondContact CA-O 3.47Å |
| 55 | S | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.2 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111.6 | F41 V57 V62 L63 P220 | F41-S55 CarbonylContact O-C 3.55Å; F41-S55 WeakPolarHBondContact O-CA 3.3Å; S55-V57 PolarHBondContact O-N 3.22Å; S55-V62 CarbonylContact O-C 3.55Å; S55-V62 VanDerWaalsContact O-CA 3.32Å; S55-V62 WeakPolarHBondContact O-CA 2.94Å; S55-L63 PolarHBondContact N-O 2.87Å; S55-L63 PolarHBondContact O-N 3.48Å; S55-P220 WeakPolarHBondContact OG-CB 3.02Å; S55-P220 WeakPolarHBondContact OG-CD 3.03Å; S55-P220 WeakPolarHBondContact OG-CG 3.44Å |
| 56 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 113.3 | 174 | -170.3 | 70.5 | 0 | 0 | 0 | 110.2 | F41 S58 V62 F80 L131 V135 L137 V141 V143 I144 | F41-L56 PolarHBondContact O-N 2.89Å; L56-S58 WeakPolarHBondContact CD1-O 3.42Å; L56-S58 WeakPolarHBondContact CG-O 3.03Å; L56-V62 HydrophobicContact CD1-CG2 4.07Å; L56-F80 HydrophobicContact CB-CE1 3.81Å; L56-F80 HydrophobicContact CB-CZ 4.27Å; L56-F80 HydrophobicContact CD1-CE1 4.17Å; L56-F80 HydrophobicContact CD1-CZ 3.74Å; L56-F80 HydrophobicContact CD2-CE1 4.48Å; L56-F80 HydrophobicContact CG-CE1 4.39Å; L56-F80 HydrophobicContact CG-CZ 4.42Å; L56-L131 HydrophobicContact CD1-CD1 4.42Å; L56-V135 HydrophobicContact CD1-CG2 3.86Å; L56-V135 HydrophobicContact CD2-CB 4.16Å; L56-V135 HydrophobicContact CD2-CG1 4.05Å; L56-V135 HydrophobicContact CD2-CG2 4.09Å; L56-L137 HydrophobicContact CD2-CD2 4.26Å; L56-V141 HydrophobicContact CD2-CG1 3.6Å; L56-V143 HydrophobicContact CD2-CG2 4.04Å; L56-V143 HydrophobicContact CG-CG2 4.21Å; L56-V143 WeakPolarHBondContact O-CA 3.36Å; L56-I144 PolarHBondContact O-N 3.01Å |
| 57 | V | 98.7 | Very high | 96.2 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | trans | -112 | -7.8 | -175.7 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | S55 A61 L63 V143 I144 L146 I263 | S55-V57 PolarHBondContact O-N 3.22Å; V57-A61 HydrophobicContact CG2-CB 4.17Å; V57-A61 WeakPolarHBondContact CG2-O 3.35Å; V57-A61 PolarHBondContact N-O 3.3Å; V57-L63 HydrophobicContact CB-CB 4.49Å; V57-L63 HydrophobicContact CG1-CB 3.69Å; V57-L63 HydrophobicContact CG1-CD2 4.08Å; V57-L63 HydrophobicContact CG2-CB 3.95Å; V57-V143 VanDerWaalsContact O-CG1 3.3Å; V57-V143 WeakPolarHBondContact O-CG1 3.5Å; V57-I144 HydrophobicContact CG1-CG2 4.18Å; V57-L146 HydrophobicContact CB-CD2 4.06Å; V57-L146 HydrophobicContact CG1-CD2 3.64Å; V57-I263 HydrophobicContact CG2-CB 4.43Å; V57-I263 HydrophobicContact CG2-CG2 3.62Å | ||
| 58 | S | 98.5 | Very high | 96.4 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -149.3 | 175.2 | 163.3 | 81 | 0 | 0 | 0 | 0 | 108.9 | L56 R60 A61 I263 | L56-S58 WeakPolarHBondContact CD1-O 3.42Å; L56-S58 WeakPolarHBondContact CG-O 3.03Å; S58-R60 PolarHBondContact O-N 2.86Å; S58-R60 WeakPolarHBondContact OG-CG 3.41Å; S58-R60 PolarHBondContact OG-N 2.84Å; S58-A61 PolarHBondContact N-O 3.28Å; S58-A61 PolarHBondContact O-N 3.2Å; S58-A61 WeakPolarHBondContact OG-CB 3.38Å; S58-A61 PolarHBondContact OG-N 3.28Å; S58-I263 VanDerWaalsContact CB-OXT 3.3Å; S58-I263 WeakPolarHBondContact CB-OXT 3.24Å; S58-I263 PolarHBondContact OG-OXT 3.33Å |
| 59 | S | 98.2 | Very high | 96.7 | Very high | 45 Ų | 45 | 20.9 Ų | 20.9 | 32% | 0.315 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -62.7 | -5.3 | 175.9 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | L134 V135 | S59-L134 CarbonylContact O-C 3.59Å; S59-L134 WeakPolarHBondContact O-CA 3.48Å; S59-V135 PolarHBondContact O-N 2.98Å |
| 60 | R | 98.1 | Very high | 96.9 | Very high | 111 Ų | 111 | 17 Ų | 17 | 42% | 0.419 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -136.2 | -6.9 | -179 | 57.9 | 179.3 | -90 | 170.5 | -7.3 | 115 | S58 T130 L131 L134 | S58-R60 PolarHBondContact O-N 2.86Å; S58-R60 WeakPolarHBondContact OG-CG 3.41Å; S58-R60 PolarHBondContact OG-N 2.84Å; R60-T130 CarbonylContact O-C 3.55Å; R60-T130 WeakPolarHBondContact O-CA 3.4Å; R60-L131 WeakPolarHBondContact O-CG 3.25Å; R60-L131 PolarHBondContact O-N 3.36Å; R60-L134 HydrophobicContact CB-CD2 3.74Å; R60-L134 HydrophobicContact CG-CD2 4.37Å |
| 61 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V57 S58 I128 I129 I263 | V57-A61 HydrophobicContact CG2-CB 4.17Å; V57-A61 WeakPolarHBondContact CG2-O 3.35Å; V57-A61 PolarHBondContact N-O 3.3Å; S58-A61 PolarHBondContact N-O 3.28Å; S58-A61 PolarHBondContact O-N 3.2Å; S58-A61 WeakPolarHBondContact OG-CB 3.38Å; S58-A61 PolarHBondContact OG-N 3.28Å; A61-I128 HydrophobicContact CB-CG2 3.97Å; A61-I129 WeakPolarHBondContact CA-O 3.44Å; A61-I263 HydrophobicContact CB-CB 3.77Å; A61-I263 HydrophobicContact CB-CG2 3.76Å |
| 62 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.5 | 173.6 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | A43 L45 S55 L56 V78 F80 I128 I129 L131 | A43-V62 HydrophobicContact CB-CG1 3.89Å; A43-V62 HydrophobicContact CB-CG2 4.47Å; L45-V62 HydrophobicContact CD2-CG1 4.24Å; S55-V62 CarbonylContact O-C 3.55Å; S55-V62 VanDerWaalsContact O-CA 3.32Å; S55-V62 WeakPolarHBondContact O-CA 2.94Å; L56-V62 HydrophobicContact CD1-CG2 4.07Å; V62-V78 HydrophobicContact CG2-CG1 4.1Å; V62-F80 HydrophobicContact CG2-CE1 4.34Å; V62-F80 HydrophobicContact CG2-CZ 3.75Å; V62-I128 WeakPolarHBondContact O-CA 3.35Å; V62-I129 HydrophobicContact CB-CB 4.31Å; V62-I129 PolarHBondContact N-O 2.75Å; V62-I129 PolarHBondContact O-N 3.37Å; V62-L131 HydrophobicContact CG2-CD1 4.23Å; V62-L131 HydrophobicContact CG2-CD2 4.33Å; V62-L131 HydrophobicContact CG2-CG 4.41Å |
| 63 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.5 | 172.6 | 177.5 | 61.7 | 0 | 0 | 0 | 109.8 | G54 S55 V57 M126 I128 L146 I229 V232 V252 I259 | G54-L63 CarbonylContact C-O 3.53Å; G54-L63 VanDerWaalsContact CA-O 3.25Å; G54-L63 WeakPolarHBondContact CA-O 3.47Å; S55-L63 PolarHBondContact N-O 2.87Å; S55-L63 PolarHBondContact O-N 3.48Å; V57-L63 HydrophobicContact CB-CB 4.49Å; V57-L63 HydrophobicContact CG1-CB 3.69Å; V57-L63 HydrophobicContact CG1-CD2 4.08Å; V57-L63 HydrophobicContact CG2-CB 3.95Å; L63-M126 HydrophobicContact CD1-CG 3.54Å; L63-M126 HydrophobicContact CD1-SD 3.79Å; L63-I128 HydrophobicContact CB-CD1 4.11Å; L63-I128 HydrophobicContact CD1-CD1 3.55Å; L63-I128 HydrophobicContact CG-CD1 4.41Å; L63-L146 HydrophobicContact CD2-CD2 4.09Å; L63-I229 HydrophobicContact CD2-CD1 3.88Å; L63-I229 HydrophobicContact CD2-CG2 4.41Å; L63-V232 HydrophobicContact CD1-CG2 4.23Å; L63-V232 HydrophobicContact CD2-CG2 3.94Å; L63-V232 HydrophobicContact CG-CG2 3.84Å; L63-V252 HydrophobicContact CD2-CG2 3.93Å; L63-I259 HydrophobicContact CD1-CD1 4.48Å; L63-I259 HydrophobicContact CD1-CG1 4.35Å; L63-I259 HydrophobicContact CD2-CD1 4.35Å |
| 64 | T | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | -176.3 | 180 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | L45 T53 A127 I129 G218 V232 | L45-T64 HydrophobicContact CD1-CG2 3.9Å; L45-T64 VanDerWaalsContact CD1-OG1 3.24Å; L45-T64 WeakPolarHBondContact CD1-OG1 3.15Å; T53-T64 PolarHBondContact O-OG1 3.17Å; T64-A127 HydrophobicContact CG2-CB 4.2Å; T64-A127 PolarHBondContact N-O 3.43Å; T64-A127 PolarHBondContact O-N 3.24Å; T64-A127 VanDerWaalsContact O-O 3.14Å; T64-I129 HydrophobicContact CG2-CD1 3.84Å; T64-I129 HydrophobicContact CG2-CG1 4.2Å; T64-G218 WeakPolarHBondContact OG1-CA 3.3Å; T64-V232 VanDerWaalsContact C-CG1 3.5Å |
| 65 | A | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -80.8 | 144.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H67 C68 D125 G218 V232 | A65-H67 VanDerWaalsContact C-N 3.29Å; A65-H67 PolarHBondContact O-N 3.03Å; A65-C68 WeakPolarHBondContact O-CB 3.47Å; A65-C68 PolarHBondContact O-N 2.59Å; A65-D125 VanDerWaalsContact CA-O 3.3Å; A65-D125 WeakPolarHBondContact CA-O 3.32Å; A65-G218 VanDerWaalsContact N-CA 3.34Å; A65-V232 HydrophobicContact CB-CG1 4.19Å | ||
| 66 | G | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.8 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C68 V69 C70 D125 | G66-C68 PolarHBondContact O-N 3.26Å; G66-C68 VanDerWaalsContact O-N 3.16Å; G66-V69 WeakPolarHBondContact O-CG2 3.44Å; G66-V69 PolarHBondContact O-N 2.92Å; G66-C70 PolarHBondContact O-N 3.36Å; G66-C70 VanDerWaalsContact O-N 3.07Å; G66-C70 PolarHBondContact O-SG 2.93Å; G66-D125 VanDerWaalsContact CA-OD1 3.25Å; G66-D125 WeakPolarHBondContact CA-OD1 3.45Å; G66-D125 PolarHBondContact N-O 2.87Å; G66-D125 PolarHBondContact N-OD1 2.87Å |
| 67 | H | 95 | Very high | 95.7 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 20% | 0.199 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -22.6 | -177.3 | 77.8 | -100.9 | 0 | 0 | 0 | 113.9 | A65 V69 Y104 K111 D125 S217 S234 | A65-H67 VanDerWaalsContact C-N 3.29Å; A65-H67 PolarHBondContact O-N 3.03Å; H67-V69 PolarHBondContact O-N 2.93Å; H67-Y104 HydrophobicContact CB-CE1 4.26Å; H67-Y104 WeakPolarHBondContact CB-OH 3.08Å; H67-K111 PolarHBondContact O-NZ 3.05Å; H67-D125 IonicContact CE1-OD2 3.91Å; H67-D125 IonicContact CG-OD2 2.72Å; H67-D125 PolarHBondContact N-OD1 3.25Å; H67-D125 IonicContact ND1-OD1 2.77Å; H67-D125 IonicContact ND1-OD2 3.95Å; H67-D125 PolarHBondContact ND1-OD2 3.48Å; H67-S217 VanDerWaalsContact CE1-CB 3.42Å; H67-S217 WeakPolarHBondContact CE1-CB 3.32Å; H67-S217 PolarHBondContact CE1-OG 3.26Å; H67-S217 VanDerWaalsContact CE1-OG 3.25Å; H67-S217 WeakPolarHBondContact NE2-CB 3.17Å; H67-S217 PolarHBondContact NE2-OG 2.82Å; H67-S234 PolarHBondContact CE1-O 3.14Å |
| 68 | C | 96.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.6 | -25.8 | 174.5 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | C52 A65 G66 | C52-C68 HydrophobicContact CB-CB 3.75Å; C52-C68 WeakPolarHBondContact CB-SG 3.34Å; C52-C68 WeakPolarHBondContact SG-CB 3.22Å; C52-C68 CovalentContact SG-SG 2.04Å; C52-C68 PolarHBondContact SG-SG 2.89Å; A65-C68 WeakPolarHBondContact O-CB 3.47Å; A65-C68 PolarHBondContact O-N 2.59Å; G66-C68 PolarHBondContact O-N 3.26Å; G66-C68 VanDerWaalsContact O-N 3.16Å |
| 69 | V | 96 | Very high | 95.6 | Very high | 19 Ų | 19 | 33 Ų | 33 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -112.9 | -8.6 | -177.3 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | G66 H67 G71 I75 I98 V100 A127 I129 | G66-V69 WeakPolarHBondContact O-CG2 3.44Å; G66-V69 PolarHBondContact O-N 2.92Å; H67-V69 PolarHBondContact O-N 2.93Å; V69-G71 PolarHBondContact O-N 2.98Å; V69-I75 HydrophobicContact CG1-CD1 3.48Å; V69-I75 VanDerWaalsContact CG1-CD1 3.48Å; V69-I75 HydrophobicContact CG1-CG1 4.32Å; V69-I98 HydrophobicContact CB-CD1 4.4Å; V69-I98 HydrophobicContact CB-CG2 3.69Å; V69-I98 HydrophobicContact CG1-CD1 4.1Å; V69-I98 HydrophobicContact CG1-CG2 3.78Å; V69-I98 HydrophobicContact CG2-CG2 3.68Å; V69-V100 HydrophobicContact CG2-CG2 3.51Å; V69-A127 HydrophobicContact CG2-CB 3.59Å; V69-I129 HydrophobicContact CG1-CD1 4.35Å; V69-I129 HydrophobicContact CG1-CG1 4.34Å |
| 70 | C | 93.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -72.5 | -11.6 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 114.1 | G66 C108 K111 | G66-C70 PolarHBondContact O-N 3.36Å; G66-C70 VanDerWaalsContact O-N 3.07Å; G66-C70 PolarHBondContact O-SG 2.93Å; C70-C108 HydrophobicContact CB-CB 3.67Å; C70-C108 WeakPolarHBondContact CB-SG 3.39Å; C70-C108 WeakPolarHBondContact SG-CA 3.37Å; C70-C108 WeakPolarHBondContact SG-CB 3.07Å; C70-C108 CovalentContact SG-SG 2.03Å; C70-C108 PolarHBondContact SG-SG 2.91Å; C70-K111 HydrophobicContact CB-CD 3.92Å |
| 71 | G | 85.4 | Confident | 95.6 | Very high | 22 Ų | 22 | 26.6 Ų | 26.6 | 23% | 0.227 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -67.3 | 168 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V69 | V69-G71 PolarHBondContact O-N 2.98Š|
| 72 | Q | 84.2 | Confident | 95.4 | Very high | 169 Ų | 169 | 26.7 Ų | 26.7 | 79% | 0.79 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -73.4 | -32 | 173.2 | -69.5 | -175.1 | -28.5 | 0 | 0 | 112.1 | ||
| 73 | T | 90.2 | Very high | 95.1 | Very high | 54 Ų | 54 | 28.4 Ų | 28.4 | 33% | 0.331 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -84.7 | 117.4 | 174.7 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | T47 A49 | T47-T73 PolarHBondContact OG1-OG1 3.1Å; A49-T73 HydrophobicContact CB-CG2 4.16Å |
| 74 | P | 94.2 | Very high | 94.7 | Very high | 84 Ų | 84 | 30 Ų | 30 | 55% | 0.545 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -69.4 | 159.3 | 179.1 | 30.3 | -34.9 | 0 | 0 | 0 | 111 | T47 V76 | T47-P74 WeakPolarHBondContact CA-O 3.49Å; T47-P74 WeakPolarHBondContact CB-O 3.45Å; T47-P74 WeakPolarHBondContact CG2-O 3.43Å; P74-V76 HydrophobicContact CG-CG1 4.42Å; P74-V76 PolarHBondContact O-N 3.14Å |
| 75 | I | 96.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 122.3 | 164.5 | -64.5 | 177.2 | 0 | 0 | 0 | 107.2 | L45 M46 T47 V69 V78 P95 I129 | L45-I75 HydrophobicContact CB-CD1 4.21Å; L45-I75 HydrophobicContact CD1-CD1 4.17Å; M46-I75 CarbonylContact O-C 3.29Å; M46-I75 WeakPolarHBondContact O-CA 3.47Å; T47-I75 HydrophobicContact CG2-CG1 4.11Å; V69-I75 HydrophobicContact CG1-CD1 3.48Å; V69-I75 VanDerWaalsContact CG1-CD1 3.48Å; V69-I75 HydrophobicContact CG1-CG1 4.32Å; I75-V78 HydrophobicContact CG2-CG2 4.08Å; I75-P95 HydrophobicContact CB-CG 4.47Å; I75-P95 HydrophobicContact CG2-CG 4.4Å; I75-P95 WeakPolarHBondContact O-CG 3.48Å; I75-I129 HydrophobicContact CD1-CD1 3.37Å; I75-I129 HydrophobicContact CD1-CG1 4.39Å |
| 76 | V | 96.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 37% | 0.37 | 19% | 0.194 | S | C | . | . | trans | -102.4 | -21.6 | -179.3 | -64.1 | 0 | 0 | 0 | 0 | 112 | M46 P74 | M46-V76 WeakPolarHBondContact O-CG2 3.43Å; M46-V76 PolarHBondContact O-N 3.28Å; P74-V76 HydrophobicContact CG-CG1 4.42Å; P74-V76 PolarHBondContact O-N 3.14Å | ||
| 77 | R | 97.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 136 | -176.2 | 176.7 | 170.8 | 66.3 | 103.1 | -12.9 | 111.8 | M46 S79 N92 | M46-R77 HydrophobicContact CB-CB 4.25Å; M46-R77 PolarHBondContact N-O 3.09Å; M46-R77 PolarHBondContact O-N 3.21Å; R77-S79 WeakPolarHBondContact CG-OG 3.47Å; R77-S79 PolarHBondContact NH1-OG 2.86Å; R77-N92 WeakPolarHBondContact CD-OD1 3.24Å |
| 78 | V | 98.4 | Very high | 93 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.2 | 170.6 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | A43 L44 L45 V62 I75 F80 N92 H93 L131 | A43-V78 HydrophobicContact CB-CG1 3.99Å; L44-V78 WeakPolarHBondContact O-CA 3Å; L45-V78 HydrophobicContact CD2-CB 4.29Å; L45-V78 HydrophobicContact CD2-CG1 3.86Å; L45-V78 HydrophobicContact CD2-CG2 3.86Å; V62-V78 HydrophobicContact CG2-CG1 4.1Å; I75-V78 HydrophobicContact CG2-CG2 4.08Å; V78-F80 HydrophobicContact CG1-CE2 4.05Å; V78-F80 HydrophobicContact CG1-CZ 3.94Å; V78-N92 CarbonylContact O-C 3.53Å; V78-H93 HydrophobicContact CB-CB 4.38Å; V78-H93 PolarHBondContact N-O 3.21Å; V78-H93 PolarHBondContact O-N 3.5Å; V78-L131 HydrophobicContact CB-CD2 3.97Å; V78-L131 HydrophobicContact CG1-CD2 3.99Å; V78-L131 HydrophobicContact CG2-CD2 3.88Å |
| 79 | S | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.2 | -169.8 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | A43 L44 R77 T90 I91 N92 | A43-S79 CarbonylContact C-O 3.57Å; A43-S79 WeakPolarHBondContact CA-O 3.19Å; L44-S79 PolarHBondContact N-O 3.36Å; L44-S79 PolarHBondContact O-N 2.92Å; R77-S79 WeakPolarHBondContact CG-OG 3.47Å; R77-S79 PolarHBondContact NH1-OG 2.86Å; S79-T90 VanDerWaalsContact CB-OG1 3.28Å; S79-T90 WeakPolarHBondContact CB-OG1 3.42Å; S79-I91 WeakPolarHBondContact CA-O 3.4Å; S79-N92 PolarHBondContact OG-OD1 3.15Å |
| 80 | F | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 161.2 | 175.9 | -60.6 | -74.6 | 0 | 0 | 0 | 111.6 | A43 L56 V62 V78 S82 T90 I91 H93 L131 V135 V141 | A43-F80 HydrophobicContact CB-CD1 4.21Å; A43-F80 HydrophobicContact CB-CE1 3.66Å; A43-F80 HydrophobicContact CB-CZ 4.21Å; L56-F80 HydrophobicContact CB-CE1 3.81Å; L56-F80 HydrophobicContact CB-CZ 4.27Å; L56-F80 HydrophobicContact CD1-CE1 4.17Å; L56-F80 HydrophobicContact CD1-CZ 3.74Å; L56-F80 HydrophobicContact CD2-CE1 4.48Å; L56-F80 HydrophobicContact CG-CE1 4.39Å; L56-F80 HydrophobicContact CG-CZ 4.42Å; V62-F80 HydrophobicContact CG2-CE1 4.34Å; V62-F80 HydrophobicContact CG2-CZ 3.75Å; V78-F80 HydrophobicContact CG1-CE2 4.05Å; V78-F80 HydrophobicContact CG1-CZ 3.94Å; F80-S82 PolarHBondContact O-N 2.9Å; F80-S82 VanDerWaalsContact O-N 3.16Å; F80-T90 PolarHBondContact N-OG1 2.97Å; F80-T90 WeakPolarHBondContact O-CA 3.43Å; F80-T90 PolarHBondContact O-OG1 3.07Å; F80-I91 PolarHBondContact N-O 2.95Å; F80-I91 PolarHBondContact O-N 2.75Å; F80-I91 VanDerWaalsContact O-N 3.09Å; F80-H93 AromaticContact CD2-CD2 3.92Å; F80-H93 AromaticContact CE2-CD2 3.94Å; F80-L131 HydrophobicContact CE2-CD1 3.98Å; F80-L131 HydrophobicContact CZ-CD1 4.16Å; F80-V135 HydrophobicContact CD2-CG2 4.38Å; F80-V135 HydrophobicContact CE2-CG2 3.75Å; F80-V135 HydrophobicContact CZ-CG2 4.26Å; F80-V141 HydrophobicContact CB-CG1 4.14Å; F80-V141 HydrophobicContact CB-CG2 3.7Å; F80-V141 HydrophobicContact CD1-CG1 3.99Å; F80-V141 HydrophobicContact CD2-CG1 4.5Å; F80-V141 HydrophobicContact CG-CG1 3.95Å; F80-V141 HydrophobicContact CG-CG2 4.29Å |
| 81 | L | 97.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 53.8 | 32.9 | -179.1 | -52.5 | -176.1 | 0 | 0 | 0 | 113.1 | R36 P40 I91 V141 | R36-L81 HydrophobicContact CB-CB 4.16Å; R36-L81 WeakPolarHBondContact CG-O 3.28Å; R36-L81 PolarHBondContact NH1-O 3.04Å; R36-L81 WeakPolarHBondContact O-CD2 3.36Å; P40-L81 HydrophobicContact CB-CD2 4.1Å; L81-I91 HydrophobicContact CD1-CD1 3.88Å; L81-V141 HydrophobicContact CD1-CG2 4.01Å; L81-V141 HydrophobicContact CD2-CG2 4.25Å; L81-V141 HydrophobicContact CG-CG2 3.82Å |
| 82 | S | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | trans | -97.8 | 118.5 | -178.5 | -145.8 | 0 | 0 | 0 | 0 | 109.1 | F80 S84 Y164 | F80-S82 PolarHBondContact O-N 2.9Å; F80-S82 VanDerWaalsContact O-N 3.16Å; S82-S84 PolarHBondContact OG-O 3.47Å; S82-Y164 WeakPolarHBondContact O-CE1 3.33Å; S82-Y164 PolarHBondContact O-OH 2.63Å | ||
| 83 | L | 92.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -84.5 | -22.3 | 171.4 | -66.4 | -179.3 | 0 | 0 | 0 | 112 | V33 R36 D87 L181 | V33-L83 HydrophobicContact CB-CD2 4.32Å; V33-L83 HydrophobicContact CG1-CD2 3.94Å; V33-L83 WeakPolarHBondContact O-CD2 2.88Å; R36-L83 HydrophobicContact CG-CD1 3.98Å; R36-L83 HydrophobicContact CG-CD2 4.03Å; R36-L83 HydrophobicContact CG-CG 3.65Å; L83-D87 PolarHBondContact N-OD2 3.21Å; L83-L181 HydrophobicContact CD2-CD2 4.49Å; L83-L181 PolarHBondContact O-N 2.85Å |
| 84 | S | 90.8 | Very high | 94.7 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -145.4 | 171.4 | 173.1 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | S82 F86 D87 G179 | S82-S84 PolarHBondContact OG-O 3.47Å; S84-F86 VanDerWaalsContact C-N 3.27Å; S84-F86 PolarHBondContact O-N 2.8Å; S84-D87 WeakPolarHBondContact O-CB 3.14Å; S84-D87 PolarHBondContact O-N 3.34Å; S84-D87 PolarHBondContact OG-N 3.48Å; S84-G179 CarbonylContact C-O 3.48Å; S84-G179 VanDerWaalsContact C-O 3.25Å; S84-G179 WeakPolarHBondContact CA-O 3.48Å |
| 85 | E | 87.4 | Confident | 94.9 | Very high | 34 Ų | 34 | 55 Ų | 55 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.8 | 174.1 | 59.8 | 165.1 | 165.9 | 0 | 0 | 114.1 | L44 D87 R176 G179 | L44-E85 HydrophobicContact CD2-CB 3.96Å; E85-D87 VanDerWaalsContact C-N 3.35Å; E85-R176 IonicContact OE1-CZ 3.81Å; E85-R176 IonicContact OE1-NE 2.86Å; E85-R176 IonicContact OE1-NH1 3.86Å; E85-G179 PolarHBondContact N-O 2.91Å |
| 86 | F | 87.1 | Confident | 95 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 3.5 | 175.1 | -58.3 | -60.5 | 0 | 0 | 0 | 114.1 | S84 Q88 D172 R176 | S84-F86 VanDerWaalsContact C-N 3.27Å; S84-F86 PolarHBondContact O-N 2.8Å; F86-Q88 PolarHBondContact O-N 2.87Å; F86-D172 WeakPolarHBondContact CE2-OD2 3.3Å; F86-R176 VanDerWaalsContact CE1-NH2 3.34Å |
| 87 | D | 88.7 | Confident | 95 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | trans | -70.4 | 102.1 | -172.5 | -167 | -27 | 0 | 0 | 0 | 111.9 | R36 L83 S84 E85 R89 T90 | R36-D87 VanDerWaalsContact CZ-CG 3.41Å; R36-D87 IonicContact CZ-OD1 3.34Å; R36-D87 IonicContact CZ-OD2 2.77Å; R36-D87 IonicContact NE-OD2 3.97Å; R36-D87 IonicContact NH1-OD1 2.72Å; R36-D87 PolarHBondContact NH1-OD1 3.07Å; R36-D87 IonicContact NH1-OD2 2.67Å; R36-D87 PolarHBondContact NH1-OD2 3.26Å; R36-D87 IonicContact NH2-OD1 2.62Å; R36-D87 PolarHBondContact NH2-OD1 2.79Å; R36-D87 IonicContact NH2-OD2 2.63Å; R36-D87 PolarHBondContact NH2-OD2 2.61Å; L83-D87 PolarHBondContact N-OD2 3.21Å; S84-D87 WeakPolarHBondContact O-CB 3.14Å; S84-D87 PolarHBondContact O-N 3.34Å; S84-D87 PolarHBondContact OG-N 3.48Å; E85-D87 VanDerWaalsContact C-N 3.35Å; D87-R89 PolarHBondContact O-N 2.88Å; D87-R89 PolarHBondContact OD1-N 2.86Å; D87-T90 WeakPolarHBondContact O-CB 3.47Å; D87-T90 WeakPolarHBondContact O-CG2 3.18Å; D87-T90 PolarHBondContact O-N 3.29Å | ||
| 88 | Q | 90.5 | Very high | 95.1 | Very high | 191 Ų | 191 | 61.4 Ų | 61.4 | 89% | 0.893 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.3 | -178.1 | -63.7 | -172.1 | -30 | 0 | 0 | 114.3 | F86 T90 | F86-Q88 PolarHBondContact O-N 2.87Å; Q88-T90 VanDerWaalsContact C-N 3.29Å |
| 89 | R | 93 | Very high | 95.1 | Very high | 189 Ų | 189 | 64.8 Ų | 64.8 | 71% | 0.713 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 11.1 | -179.9 | -64.7 | -179.5 | -66.4 | 176.8 | -1.4 | 112.5 | R36 D87 | R36-R89 VanDerWaalsContact NH1-CB 3.31Å; R36-R89 VanDerWaalsContact NH2-CZ 3.25Å; D87-R89 PolarHBondContact O-N 2.88Å; D87-R89 PolarHBondContact OD1-N 2.86Å |
| 90 | T | 96 | Very high | 95.1 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | trans | -72.2 | 156.6 | 177.3 | -173 | 0 | 0 | 0 | 0 | 112.5 | S79 F80 D87 Q88 N92 | S79-T90 VanDerWaalsContact CB-OG1 3.28Å; S79-T90 WeakPolarHBondContact CB-OG1 3.42Å; F80-T90 PolarHBondContact N-OG1 2.97Å; F80-T90 WeakPolarHBondContact O-CA 3.43Å; F80-T90 PolarHBondContact O-OG1 3.07Å; D87-T90 WeakPolarHBondContact O-CB 3.47Å; D87-T90 WeakPolarHBondContact O-CG2 3.18Å; D87-T90 PolarHBondContact O-N 3.29Å; Q88-T90 VanDerWaalsContact C-N 3.29Å; T90-N92 VanDerWaalsContact CG2-OD1 3.31Å; T90-N92 WeakPolarHBondContact CG2-OD1 3.15Å | ||
| 91 | I | 97.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 66.1 Ų | 66.1 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.4 | 172.4 | -61.9 | 169.3 | 0 | 0 | 0 | 108.1 | S79 F80 L81 T139 V141 | S79-I91 WeakPolarHBondContact CA-O 3.4Å; F80-I91 PolarHBondContact N-O 2.95Å; F80-I91 PolarHBondContact O-N 2.75Å; F80-I91 VanDerWaalsContact O-N 3.09Å; L81-I91 HydrophobicContact CD1-CD1 3.88Å; I91-T139 VanDerWaalsContact CD1-CB 3.43Å; I91-T139 HydrophobicContact CD1-CG2 3.88Å; I91-T139 VanDerWaalsContact CD1-OG1 3.26Å; I91-T139 WeakPolarHBondContact CD1-OG1 3.35Å; I91-V141 HydrophobicContact CD1-CG2 3.94Å |
| 92 | N | 97.8 | Very high | 95.1 | Very high | 89 Ų | 89 | 69.3 Ų | 69.3 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.3 | -173.2 | -67.4 | -47 | 0 | 0 | 0 | 112.5 | R77 V78 S79 T90 | R77-N92 WeakPolarHBondContact CD-OD1 3.24Å; V78-N92 CarbonylContact O-C 3.53Å; S79-N92 PolarHBondContact OG-OD1 3.15Å; T90-N92 VanDerWaalsContact CG2-OD1 3.31Å; T90-N92 WeakPolarHBondContact CG2-OD1 3.15Å |
| 93 | H | 98.5 | Very high | 95.1 | Very high | 24 Ų | 24 | 73.8 Ų | 73.8 | 11% | 0.111 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 165.5 | 171.1 | -69.9 | -107.3 | 0 | 0 | 0 | 110.1 | V78 F80 L131 N133 | V78-H93 HydrophobicContact CB-CB 4.38Å; V78-H93 PolarHBondContact N-O 3.21Å; V78-H93 PolarHBondContact O-N 3.5Å; F80-H93 AromaticContact CD2-CD2 3.92Å; F80-H93 AromaticContact CE2-CD2 3.94Å; H93-L131 HydrophobicContact CB-CD1 4.11Å; H93-L131 HydrophobicContact CB-CD2 3.99Å; H93-L131 HydrophobicContact CB-CG 4.44Å; H93-N133 PolarHBondContact ND1-O 3.34Å |
| 94 | R | 98.2 | Very high | 95.3 | Very high | 187 Ų | 187 | 72.9 Ų | 72.9 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | trans | -115.5 | 148.9 | 171.8 | -62.1 | -172.1 | -137.5 | 173.9 | 4.9 | 110 | L131 T132 | R94-L131 WeakPolarHBondContact O-CA 3.24Å; R94-T132 PolarHBondContact O-N 2.86Å; R94-T132 PolarHBondContact O-OG1 3.07Å | ||
| 95 | P | 98.1 | Very high | 95.5 | Very high | 32 Ų | 32 | 74.9 Ų | 74.9 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140 | 168.6 | 29.6 | -32.3 | 0 | 0 | 0 | 110.4 | I75 I98 I129 | I75-P95 HydrophobicContact CB-CG 4.47Å; I75-P95 HydrophobicContact CG2-CG 4.4Å; I75-P95 WeakPolarHBondContact O-CG 3.48Å; P95-I98 HydrophobicContact CB-CD1 4.48Å; P95-I98 HydrophobicContact CB-CG1 4.41Å; P95-I129 HydrophobicContact CB-CG2 3.59Å |
| 96 | L | 97.9 | Very high | 95.8 | Very high | 117 Ų | 117 | 76.6 Ų | 76.6 | 61% | 0.613 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -47.4 | 169 | 176.2 | 64.4 | 0 | 0 | 0 | 110.9 | T130 | L96-T130 WeakPolarHBondContact CB-O 3.23Å; L96-T130 HydrophobicContact CD2-CG2 4.32Å; L96-T130 PolarHBondContact N-O 3.19Å |
| 97 | E | 97.8 | Very high | 96.1 | Very high | 89 Ų | 89 | 72.4 Ų | 72.4 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 145.6 | -177.4 | -172.2 | -173.1 | -168.4 | 0 | 0 | 109 | K99 T130 | E97-K99 VanDerWaalsContact CD-CE 3.42Å; E97-K99 HydrophobicContact CG-CG 4.45Å; E97-K99 WeakPolarHBondContact OE1-CE 3.47Å; E97-K99 IonicContact OE1-NZ 3.65Å; E97-T130 PolarHBondContact N-O 3.45Å; E97-T130 PolarHBondContact O-N 2.83Å |
| 98 | I | 97.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 71.6 Ų | 71.6 | 33% | 0.328 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.6 | 175.7 | -60.4 | 177.7 | 0 | 0 | 0 | 108.3 | V69 P95 I128 I129 | V69-I98 HydrophobicContact CB-CD1 4.4Å; V69-I98 HydrophobicContact CB-CG2 3.69Å; V69-I98 HydrophobicContact CG1-CD1 4.1Å; V69-I98 HydrophobicContact CG1-CG2 3.78Å; V69-I98 HydrophobicContact CG2-CG2 3.68Å; P95-I98 HydrophobicContact CB-CD1 4.48Å; P95-I98 HydrophobicContact CB-CG1 4.41Å; I98-I128 WeakPolarHBondContact CA-O 3.42Å; I98-I129 HydrophobicContact CG1-CG1 4.32Å; I98-I129 HydrophobicContact CG1-CG2 4.44Å |
| 99 | K | 98.2 | Very high | 96.4 | Very high | 71 Ų | 71 | 67.5 Ų | 67.5 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.1 | 173.7 | -65.2 | -176.4 | -175.7 | -176.2 | 0 | 109.6 | E97 A127 I128 F258 N262 | E97-K99 VanDerWaalsContact CD-CE 3.42Å; E97-K99 HydrophobicContact CG-CG 4.45Å; E97-K99 WeakPolarHBondContact OE1-CE 3.47Å; E97-K99 IonicContact OE1-NZ 3.65Å; K99-A127 CarbonylContact O-C 3.51Å; K99-A127 WeakPolarHBondContact O-CA 3.39Å; K99-A127 WeakPolarHBondContact O-CB 3.14Å; K99-I128 PolarHBondContact N-O 3.31Å; K99-I128 PolarHBondContact O-N 3.16Å; K99-F258 HydrophobicContact CB-CE2 4.46Å; K99-F258 HydrophobicContact CB-CZ 4.47Å; K99-N262 HydrophobicContact CD-CB 4.3Å; K99-N262 WeakPolarHBondContact CD-OD1 3.33Å; K99-N262 WeakPolarHBondContact CE-OD1 3.47Å; K99-N262 PolarHBondContact NZ-OD1 3.26Å |
| 100 | V | 98.2 | Very high | 96.4 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 17% | 0.17 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 143.6 | 174.8 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V69 Y104 A127 | V69-V100 HydrophobicContact CG2-CG2 3.51Å; V100-Y104 HydrophobicContact CG1-CD1 3.97Å; V100-A127 HydrophobicContact CG2-CB 4.25Å |
| 101 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -49.9 | 128.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E103 Y104 N105 Y124 M126 M255 F258 | A101-E103 PolarHBondContact O-N 2.86Å; A101-E103 VanDerWaalsContact O-N 3.15Å; A101-Y104 WeakPolarHBondContact O-CA 3.07Å; A101-Y104 PolarHBondContact O-N 2.88Å; A101-N105 PolarHBondContact O-N 2.91Å; A101-N105 VanDerWaalsContact O-N 3.15Å; A101-Y124 WeakPolarHBondContact CB-O 3.33Å; A101-M126 HydrophobicContact CB-CB 4.27Å; A101-M126 PolarHBondContact N-O 2.74Å; A101-M255 HydrophobicContact CB-CE 3.52Å; A101-F258 HydrophobicContact CB-CD1 4.14Å; A101-F258 HydrophobicContact CB-CD2 4.37Å; A101-F258 HydrophobicContact CB-CE1 4.2Å; A101-F258 HydrophobicContact CB-CE2 4.43Å; A101-F258 HydrophobicContact CB-CG 4.23Å; A101-F258 HydrophobicContact CB-CZ 4.35Å; A101-F258 VanDerWaalsContact N-CZ 3.33Å | ||
| 102 | P | 97.4 | Very high | 95.9 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38.3 | -176 | -29 | 35.6 | 0 | 0 | 0 | 113.5 | Y104 N105 | P102-Y104 PolarHBondContact O-N 2.95Å; P102-N105 WeakPolarHBondContact O-CB 3.15Å; P102-N105 PolarHBondContact O-N 3.43Å |
| 103 | E | 96.5 | Very high | 95.6 | Very high | 95 Ų | 95 | 68.4 Ų | 68.4 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -23.7 | 179 | -61.4 | 85.6 | 170.4 | 0 | 0 | 112.9 | A101 L121 Y124 | A101-E103 PolarHBondContact O-N 2.86Å; A101-E103 VanDerWaalsContact O-N 3.15Å; E103-L121 WeakPolarHBondContact O-CD1 3Å; E103-Y124 HydrophobicContact CB-CD1 3.56Å; E103-Y124 HydrophobicContact CB-CD2 3.87Å; E103-Y124 HydrophobicContact CB-CE1 3.98Å; E103-Y124 HydrophobicContact CB-CE2 4.25Å; E103-Y124 HydrophobicContact CB-CG 3.5Å; E103-Y124 HydrophobicContact CG-CD1 3.9Å; E103-Y124 HydrophobicContact CG-CE1 3.87Å; E103-Y124 HydrophobicContact CG-CG 4.32Å |
| 104 | Y | 96.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 74.5 Ų | 74.5 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -16.4 | 177.3 | -160.2 | -103.8 | 0 | 0 | 0 | 113.7 | H67 V100 A101 P102 P106 V107 C108 L121 Y124 D125 | H67-Y104 HydrophobicContact CB-CE1 4.26Å; H67-Y104 WeakPolarHBondContact CB-OH 3.08Å; V100-Y104 HydrophobicContact CG1-CD1 3.97Å; A101-Y104 WeakPolarHBondContact O-CA 3.07Å; A101-Y104 PolarHBondContact O-N 2.88Å; P102-Y104 PolarHBondContact O-N 2.95Å; Y104-P106 VanDerWaalsContact C-N 3.31Å; Y104-V107 HydrophobicContact CD1-CB 4.4Å; Y104-V107 HydrophobicContact CD2-CB 4.41Å; Y104-V107 HydrophobicContact CD2-CG2 4.41Å; Y104-V107 HydrophobicContact CE1-CB 4.16Å; Y104-V107 HydrophobicContact CE1-CG1 3.99Å; Y104-V107 HydrophobicContact CE2-CB 4.16Å; Y104-V107 HydrophobicContact CE2-CG1 4.18Å; Y104-V107 HydrophobicContact CE2-CG2 4.18Å; Y104-V107 WeakPolarHBondContact O-CB 3.43Å; Y104-V107 PolarHBondContact O-N 2.99Å; Y104-C108 PolarHBondContact O-N 3.17Å; Y104-L121 HydrophobicContact CD2-CB 3.67Å; Y104-L121 HydrophobicContact CD2-CD1 4.46Å; Y104-L121 HydrophobicContact CE2-CB 3.81Å; Y104-Y124 VanDerWaalsContact CB-O 3.28Å; Y104-Y124 WeakPolarHBondContact CB-O 3.31Å; Y104-D125 HydrophobicContact CD2-CB 3.92Å; Y104-D125 HydrophobicContact CE1-CB 4.4Å; Y104-D125 WeakPolarHBondContact CE1-OD1 3.4Å; Y104-D125 HydrophobicContact CE2-CB 3.52Å; Y104-D125 VanDerWaalsContact CZ-CG 3.44Å; Y104-D125 PolarHBondContact OH-OD1 2.04Å |
| 105 | N | 94.2 | Very high | 94.8 | Very high | 76 Ų | 76 | 71.2 Ų | 71.2 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53.7 | -36 | -179.9 | -169 | 37.7 | 0 | 0 | 0 | 114.6 | A101 P102 V107 C108 Q109 | A101-N105 PolarHBondContact O-N 2.91Å; A101-N105 VanDerWaalsContact O-N 3.15Å; P102-N105 WeakPolarHBondContact O-CB 3.15Å; P102-N105 PolarHBondContact O-N 3.43Å; N105-V107 PolarHBondContact O-N 3.26Å; N105-C108 WeakPolarHBondContact O-CA 3.04Å; N105-C108 WeakPolarHBondContact O-CB 3.3Å; N105-C108 PolarHBondContact O-N 2.98Å; N105-Q109 PolarHBondContact O-N 3.12Å |
| 106 | P | 93.2 | Very high | 94.4 | Very high | 69 Ų | 69 | 80.2 Ų | 80.2 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.2 | -33.8 | 173.6 | -26.6 | 36.3 | 0 | 0 | 0 | 113.7 | Y104 Q109 L110 | Y104-P106 VanDerWaalsContact C-N 3.31Å; P106-Q109 PolarHBondContact O-N 2.98Å; P106-L110 WeakPolarHBondContact O-CG 3.35Å; P106-L110 PolarHBondContact O-N 3.09Å |
| 107 | V | 93.5 | Very high | 93.7 | Very high | 12 Ų | 12 | 78.1 Ų | 78.1 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Y104 N105 Q109 L110 K111 I117 L121 | Y104-V107 HydrophobicContact CD1-CB 4.4Å; Y104-V107 HydrophobicContact CD2-CB 4.41Å; Y104-V107 HydrophobicContact CD2-CG2 4.41Å; Y104-V107 HydrophobicContact CE1-CB 4.16Å; Y104-V107 HydrophobicContact CE1-CG1 3.99Å; Y104-V107 HydrophobicContact CE2-CB 4.16Å; Y104-V107 HydrophobicContact CE2-CG1 4.18Å; Y104-V107 HydrophobicContact CE2-CG2 4.18Å; Y104-V107 WeakPolarHBondContact O-CB 3.43Å; Y104-V107 PolarHBondContact O-N 2.99Å; N105-V107 PolarHBondContact O-N 3.26Å; V107-Q109 VanDerWaalsContact C-N 3.32Å; V107-Q109 PolarHBondContact O-N 2.9Å; V107-L110 PolarHBondContact O-N 2.91Å; V107-K111 WeakPolarHBondContact O-CB 3.19Å; V107-K111 PolarHBondContact O-N 3.38Å; V107-I117 HydrophobicContact CG1-CD1 3.77Å; V107-I117 HydrophobicContact CG1-CG1 4.3Å; V107-I117 HydrophobicContact CG1-CG2 4.49Å; V107-I117 HydrophobicContact CG2-CG2 4.44Å; V107-L121 HydrophobicContact CG2-CB 4.33Å; V107-L121 HydrophobicContact CG2-CD1 3.56Å; V107-L121 HydrophobicContact CG2-CG 3.99Å |
| 108 | C | 93.4 | Very high | 93 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 173.2 | -72.9 | 0 | 0 | 0 | 0 | 112.1 | C70 Y104 N105 K111 R112 | C70-C108 HydrophobicContact CB-CB 3.67Å; C70-C108 WeakPolarHBondContact CB-SG 3.39Å; C70-C108 WeakPolarHBondContact SG-CA 3.37Å; C70-C108 WeakPolarHBondContact SG-CB 3.07Å; C70-C108 CovalentContact SG-SG 2.03Å; C70-C108 PolarHBondContact SG-SG 2.91Å; Y104-C108 PolarHBondContact O-N 3.17Å; N105-C108 WeakPolarHBondContact O-CA 3.04Å; N105-C108 WeakPolarHBondContact O-CB 3.3Å; N105-C108 PolarHBondContact O-N 2.98Å; C108-K111 PolarHBondContact O-N 3.27Å; C108-R112 WeakPolarHBondContact O-CG 3.3Å; C108-R112 PolarHBondContact O-N 3.23Å |
| 109 | Q | 93.1 | Very high | 92.2 | Very high | 104 Ų | 104 | 82.3 Ų | 82.3 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 178.8 | -177.4 | 177.8 | -8 | 0 | 0 | 111.4 | N105 P106 V107 K111 R112 E113 | N105-Q109 PolarHBondContact O-N 3.12Å; P106-Q109 PolarHBondContact O-N 2.98Å; V107-Q109 VanDerWaalsContact C-N 3.32Å; V107-Q109 PolarHBondContact O-N 2.9Å; Q109-K111 VanDerWaalsContact C-N 3.29Å; Q109-K111 PolarHBondContact O-N 3.04Å; Q109-R112 PolarHBondContact O-N 2.89Å; Q109-E113 VanDerWaalsContact CG-OE1 3.24Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.18Å; Q109-E113 PolarHBondContact NE2-OE1 3.15Å; Q109-E113 WeakPolarHBondContact O-CG 3.37Å; Q109-E113 PolarHBondContact O-N 3.11Å |
| 110 | L | 93.2 | Very high | 91.3 | Very high | 56 Ų | 56 | 81 Ų | 81 | 29% | 0.293 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 177.3 | -69.6 | 174 | 0 | 0 | 0 | 111.9 | P106 V107 E113 N114 K115 I117 | P106-L110 WeakPolarHBondContact O-CG 3.35Å; P106-L110 PolarHBondContact O-N 3.09Å; V107-L110 PolarHBondContact O-N 2.91Å; L110-E113 CarbonylContact O-C 3.6Å; L110-E113 PolarHBondContact O-N 3.02Å; L110-N114 PolarHBondContact O-N 3.29Å; L110-N114 VanDerWaalsContact O-N 3.13Å; L110-K115 HydrophobicContact CB-CB 4.28Å; L110-K115 HydrophobicContact CD2-CB 3.79Å; L110-K115 HydrophobicContact CD2-CD 3.83Å; L110-K115 HydrophobicContact CD2-CG 4.46Å; L110-K115 PolarHBondContact O-N 2.82Å; L110-I117 HydrophobicContact CB-CG1 4.24Å |
| 111 | K | 90.9 | Very high | 90.9 | Very high | 87 Ų | 87 | 80.9 Ų | 80.9 | 38% | 0.378 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 177.2 | -172.9 | 173.8 | -179.1 | 175.5 | 0 | 112 | H67 C70 V107 C108 Q109 E113 N114 | H67-K111 PolarHBondContact O-NZ 3.05Å; C70-K111 HydrophobicContact CB-CD 3.92Å; V107-K111 WeakPolarHBondContact O-CB 3.19Å; V107-K111 PolarHBondContact O-N 3.38Å; C108-K111 PolarHBondContact O-N 3.27Å; Q109-K111 VanDerWaalsContact C-N 3.29Å; Q109-K111 PolarHBondContact O-N 3.04Å; K111-E113 VanDerWaalsContact C-N 3.29Å; K111-E113 PolarHBondContact O-N 3.11Å; K111-N114 PolarHBondContact O-N 2.8Å; K111-N114 VanDerWaalsContact O-N 3.11Å |
| 112 | R | 90.7 | Very high | 90.5 | Very high | 136 Ų | 136 | 81 Ų | 81 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 177.1 | -71.2 | 173.4 | -173.9 | 157.5 | 2 | 112.6 | C108 Q109 N114 | C108-R112 WeakPolarHBondContact O-CG 3.3Å; C108-R112 PolarHBondContact O-N 3.23Å; Q109-R112 PolarHBondContact O-N 2.89Å; R112-N114 PolarHBondContact O-N 2.85Å |
| 113 | E | 91.7 | Very high | 90.5 | Very high | 84 Ų | 84 | 76.7 Ų | 76.7 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 3.7 | 175.5 | -65.6 | 175 | -166.8 | 0 | 0 | 113.2 | Q109 L110 K111 K115 | Q109-E113 VanDerWaalsContact CG-OE1 3.24Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.18Å; Q109-E113 PolarHBondContact NE2-OE1 3.15Å; Q109-E113 WeakPolarHBondContact O-CG 3.37Å; Q109-E113 PolarHBondContact O-N 3.11Å; L110-E113 CarbonylContact O-C 3.6Å; L110-E113 PolarHBondContact O-N 3.02Å; K111-E113 VanDerWaalsContact C-N 3.29Å; K111-E113 PolarHBondContact O-N 3.11Å; E113-K115 HydrophobicContact CB-CD 4.14Å; E113-K115 HydrophobicContact CB-CG 4.07Å; E113-K115 PolarHBondContact O-N 2.88Å; E113-K115 WeakPolarHBondContact OE2-CD 3.32Å; E113-K115 WeakPolarHBondContact OE2-CE 3.46Å; E113-K115 IonicContact OE2-NZ 2.59Å; E113-K115 PolarHBondContact OE2-NZ 2.78Å |
| 114 | N | 88.6 | Confident | 90.5 | Very high | 152 Ų | 152 | 75.7 Ų | 75.7 | 81% | 0.813 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33 | -175.3 | -159.8 | 34.3 | 0 | 0 | 0 | 113.7 | L110 K111 R112 | L110-N114 PolarHBondContact O-N 3.29Å; L110-N114 VanDerWaalsContact O-N 3.13Å; K111-N114 PolarHBondContact O-N 2.8Å; K111-N114 VanDerWaalsContact O-N 3.11Å; R112-N114 PolarHBondContact O-N 2.85Å |
| 115 | K | 91.8 | Very high | 90.6 | Very high | 117 Ų | 117 | 75 Ų | 75 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 149.4 | 177.7 | -72.2 | 179.4 | -179.5 | 164.1 | 0 | 111 | L110 E113 I117 | L110-K115 HydrophobicContact CB-CB 4.28Å; L110-K115 HydrophobicContact CD2-CB 3.79Å; L110-K115 HydrophobicContact CD2-CD 3.83Å; L110-K115 HydrophobicContact CD2-CG 4.46Å; L110-K115 PolarHBondContact O-N 2.82Å; E113-K115 HydrophobicContact CB-CD 4.14Å; E113-K115 HydrophobicContact CB-CG 4.07Å; E113-K115 PolarHBondContact O-N 2.88Å; E113-K115 WeakPolarHBondContact OE2-CD 3.32Å; E113-K115 WeakPolarHBondContact OE2-CE 3.46Å; E113-K115 IonicContact OE2-NZ 2.59Å; E113-K115 PolarHBondContact OE2-NZ 2.78Å; K115-I117 PolarHBondContact O-N 3.37Å |
| 116 | R | 88.3 | Confident | 90.7 | Very high | 221 Ų | 221 | 71.3 Ų | 71.3 | 83% | 0.834 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 127.9 | 177.8 | -174.8 | 177.7 | 179.9 | 125.8 | -0.4 | 111.1 | T118 | R116-T118 HydrophobicContact CG-CG2 4.39Š|
| 117 | I | 84.4 | Confident | 91 | Very high | 73 Ų | 73 | 68 Ų | 68 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 123.8 | 170.6 | -60.3 | 156.1 | 0 | 0 | 0 | 108.2 | V107 L110 K115 K119 | V107-I117 HydrophobicContact CG1-CD1 3.77Å; V107-I117 HydrophobicContact CG1-CG1 4.3Å; V107-I117 HydrophobicContact CG1-CG2 4.49Å; V107-I117 HydrophobicContact CG2-CG2 4.44Å; L110-I117 HydrophobicContact CB-CG1 4.24Å; K115-I117 PolarHBondContact O-N 3.37Å; I117-K119 VanDerWaalsContact CG2-O 3.3Å; I117-K119 WeakPolarHBondContact CG2-O 3.45Å |
| 118 | T | 82.8 | Confident | 91.3 | Very high | 117 Ų | 117 | 67.5 Ų | 67.5 | 72% | 0.718 | 31% | 0.314 | S | S | * | . | trans | -109.1 | -9.1 | -178.1 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | R116 | R116-T118 HydrophobicContact CG-CG2 4.39Š| ||
| 119 | K | 81.5 | Confident | 91.5 | Very high | 125 Ų | 125 | 67.5 Ų | 67.5 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -121 | 127.6 | 179.2 | -64.1 | -179.9 | -178.6 | 176.1 | 0 | 109.4 | I117 L121 F196 | I117-K119 VanDerWaalsContact CG2-O 3.3Å; I117-K119 WeakPolarHBondContact CG2-O 3.45Å; K119-L121 HydrophobicContact CB-CD2 4.46Å; K119-F196 HydrophobicContact CB-CE2 4.42Å; K119-F196 HydrophobicContact CD-CZ 4.29Å; K119-F196 HydrophobicContact CG-CZ 4.43Å |
| 120 | S | 78.5 | Confident | 91.8 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | trans | -73 | 121.8 | 163.4 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | F196 N235 E248 | S120-F196 WeakPolarHBondContact O-CD2 3.45Å; S120-N235 PolarHBondContact OG-ND2 3.2Å; S120-N235 PolarHBondContact OG-OD1 3.2Å; S120-E248 PolarHBondContact OG-OE1 3.2Å | ||
| 121 | L | 90.3 | Very high | 92 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 13% | 0.131 | 28% | 0.28 | C | S | . | . | trans | -109.2 | 36.9 | 172.6 | -63.6 | -174.1 | 0 | 0 | 0 | 110.5 | E103 Y104 V107 K119 G123 Y124 D125 F196 | E103-L121 WeakPolarHBondContact O-CD1 3Å; Y104-L121 HydrophobicContact CD2-CB 3.67Å; Y104-L121 HydrophobicContact CD2-CD1 4.46Å; Y104-L121 HydrophobicContact CE2-CB 3.81Å; V107-L121 HydrophobicContact CG2-CB 4.33Å; V107-L121 HydrophobicContact CG2-CD1 3.56Å; V107-L121 HydrophobicContact CG2-CG 3.99Å; K119-L121 HydrophobicContact CB-CD2 4.46Å; L121-G123 PolarHBondContact O-N 2.79Å; L121-G123 VanDerWaalsContact O-N 3.07Å; L121-Y124 HydrophobicContact CB-CD2 4.4Å; L121-Y124 HydrophobicContact CD2-CD2 4.4Å; L121-Y124 PolarHBondContact O-N 2.83Å; L121-D125 PolarHBondContact O-N 2.83Å; L121-F196 HydrophobicContact CD2-CB 3.6Å; L121-F196 HydrophobicContact CD2-CD1 4.27Å; L121-F196 HydrophobicContact CD2-CD2 4.44Å; L121-F196 HydrophobicContact CD2-CG 3.88Å | ||
| 122 | G | 90 | Very high | 92.4 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y124 S234 E248 S250 | G122-Y124 VanDerWaalsContact C-N 3.29Å; G122-Y124 PolarHBondContact O-N 2.83Å; G122-S234 WeakPolarHBondContact CA-OG 3.44Å; G122-E248 WeakPolarHBondContact CA-OE2 3.39Å; G122-S250 WeakPolarHBondContact O-CA 3.3Å; G122-S250 WeakPolarHBondContact O-CB 3.36Å; G122-S250 PolarHBondContact O-N 2.71Å; G122-S250 PolarHBondContact O-OG 3.27Å |
| 123 | G | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L121 F196 | L121-G123 PolarHBondContact O-N 2.79Å; L121-G123 VanDerWaalsContact O-N 3.07Å; G123-F196 VanDerWaalsContact CA-O 3.25Å; G123-F196 WeakPolarHBondContact CA-O 3.13Å; G123-F196 PolarHBondContact N-O 3.35Å |
| 124 | Y | 97.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -4.2 | 179.6 | -59.7 | -60 | 0 | 0 | 0 | 113.8 | A101 E103 Y104 L121 G122 M126 G197 M255 | A101-Y124 WeakPolarHBondContact CB-O 3.33Å; E103-Y124 HydrophobicContact CB-CD1 3.56Å; E103-Y124 HydrophobicContact CB-CD2 3.87Å; E103-Y124 HydrophobicContact CB-CE1 3.98Å; E103-Y124 HydrophobicContact CB-CE2 4.25Å; E103-Y124 HydrophobicContact CB-CG 3.5Å; E103-Y124 HydrophobicContact CG-CD1 3.9Å; E103-Y124 HydrophobicContact CG-CE1 3.87Å; E103-Y124 HydrophobicContact CG-CG 4.32Å; Y104-Y124 VanDerWaalsContact CB-O 3.28Å; Y104-Y124 WeakPolarHBondContact CB-O 3.31Å; L121-Y124 HydrophobicContact CB-CD2 4.4Å; L121-Y124 HydrophobicContact CD2-CD2 4.4Å; L121-Y124 PolarHBondContact O-N 2.83Å; G122-Y124 VanDerWaalsContact C-N 3.29Å; G122-Y124 PolarHBondContact O-N 2.83Å; Y124-M126 PolarHBondContact O-N 3.22Å; Y124-G197 VanDerWaalsContact CE2-CA 3.44Å; Y124-M255 HydrophobicContact CD1-CE 4.45Å; Y124-M255 HydrophobicContact CD1-SD 3.99Å |
| 125 | D | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | trans | -68.7 | 70.6 | -173.6 | -173.4 | 20.6 | 0 | 0 | 0 | 113.4 | A65 G66 H67 Y104 L121 S234 S250 | A65-D125 VanDerWaalsContact CA-O 3.3Å; A65-D125 WeakPolarHBondContact CA-O 3.32Å; G66-D125 VanDerWaalsContact CA-OD1 3.25Å; G66-D125 WeakPolarHBondContact CA-OD1 3.45Å; G66-D125 PolarHBondContact N-O 2.87Å; G66-D125 PolarHBondContact N-OD1 2.87Å; H67-D125 IonicContact CE1-OD2 3.91Å; H67-D125 IonicContact CG-OD2 2.72Å; H67-D125 PolarHBondContact N-OD1 3.25Å; H67-D125 IonicContact ND1-OD1 2.77Å; H67-D125 IonicContact ND1-OD2 3.95Å; H67-D125 PolarHBondContact ND1-OD2 3.48Å; Y104-D125 HydrophobicContact CD2-CB 3.92Å; Y104-D125 HydrophobicContact CE1-CB 4.4Å; Y104-D125 WeakPolarHBondContact CE1-OD1 3.4Å; Y104-D125 HydrophobicContact CE2-CB 3.52Å; Y104-D125 VanDerWaalsContact CZ-CG 3.44Å; Y104-D125 PolarHBondContact OH-OD1 2.04Å; L121-D125 PolarHBondContact O-N 2.83Å; D125-S234 WeakPolarHBondContact CB-OG 3.28Å; D125-S234 VanDerWaalsContact CG-OG 3.31Å; D125-S234 WeakPolarHBondContact OD2-CB 3.45Å; D125-S234 PolarHBondContact OD2-OG 3.03Å; D125-S250 VanDerWaalsContact C-OG 3.29Å; D125-S250 WeakPolarHBondContact CA-OG 3.4Å; D125-S250 WeakPolarHBondContact CB-OG 3.46Å; D125-S250 PolarHBondContact N-OG 2.68Å; D125-S250 PolarHBondContact O-OG 2.79Å | ||
| 126 | M | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -134.4 | 141.8 | -172.4 | -165.1 | 173.8 | -73 | 0 | 0 | 111.9 | L63 A101 Y124 V232 V252 M255 F258 I259 | L63-M126 HydrophobicContact CD1-CG 3.54Å; L63-M126 HydrophobicContact CD1-SD 3.79Å; A101-M126 HydrophobicContact CB-CB 4.27Å; A101-M126 PolarHBondContact N-O 2.74Å; Y124-M126 PolarHBondContact O-N 3.22Å; M126-V232 HydrophobicContact CE-CG2 4.26Å; M126-V252 HydrophobicContact CE-CG2 4.36Å; M126-M255 HydrophobicContact CB-CE 4.18Å; M126-M255 HydrophobicContact CE-CB 3.45Å; M126-M255 VanDerWaalsContact CE-CB 3.45Å; M126-M255 HydrophobicContact CE-CG 3.58Å; M126-M255 HydrophobicContact SD-CB 3.45Å; M126-M255 WeakPolarHBondContact SD-CB 3Å; M126-M255 HydrophobicContact SD-CE 4.34Å; M126-M255 HydrophobicContact SD-CG 4Å; M126-F258 HydrophobicContact CB-CD1 4.41Å; M126-F258 HydrophobicContact CB-CE1 4.23Å; M126-F258 HydrophobicContact CG-CD1 4.1Å; M126-F258 HydrophobicContact CG-CE1 3.9Å; M126-F258 HydrophobicContact SD-CD1 3.88Å; M126-F258 HydrophobicContact SD-CE1 4.25Å; M126-I259 HydrophobicContact CE-CD1 4.1Å; M126-I259 HydrophobicContact SD-CD1 3.5Å; M126-I259 VanDerWaalsContact SD-CD1 3.5Å; M126-I259 HydrophobicContact SD-CG1 3.39Å; M126-I259 WeakPolarHBondContact SD-CG1 3.15Å | ||
| 127 | A | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T64 V69 K99 V100 | T64-A127 HydrophobicContact CG2-CB 4.2Å; T64-A127 PolarHBondContact N-O 3.43Å; T64-A127 PolarHBondContact O-N 3.24Å; T64-A127 VanDerWaalsContact O-O 3.14Å; V69-A127 HydrophobicContact CG2-CB 3.59Å; K99-A127 CarbonylContact O-C 3.51Å; K99-A127 WeakPolarHBondContact O-CA 3.39Å; K99-A127 WeakPolarHBondContact O-CB 3.14Å; V100-A127 HydrophobicContact CG2-CB 4.25Å |
| 128 | I | 98.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.4 | 169.9 | -56.8 | -63.2 | 0 | 0 | 0 | 108.6 | A61 V62 L63 I98 K99 F258 I259 N262 I263 | A61-I128 HydrophobicContact CB-CG2 3.97Å; V62-I128 WeakPolarHBondContact O-CA 3.35Å; L63-I128 HydrophobicContact CB-CD1 4.11Å; L63-I128 HydrophobicContact CD1-CD1 3.55Å; L63-I128 HydrophobicContact CG-CD1 4.41Å; I98-I128 WeakPolarHBondContact CA-O 3.42Å; K99-I128 PolarHBondContact N-O 3.31Å; K99-I128 PolarHBondContact O-N 3.16Å; I128-F258 HydrophobicContact CG1-CE1 3.99Å; I128-F258 HydrophobicContact CG1-CZ 4.17Å; I128-I259 HydrophobicContact CD1-CG2 4.22Å; I128-N262 HydrophobicContact CB-CB 4.4Å; I128-N262 HydrophobicContact CG1-CB 4.12Å; I128-N262 WeakPolarHBondContact CG2-O 3.38Å; I128-I263 HydrophobicContact CD1-CG2 4Å; I128-I263 HydrophobicContact CG2-CG2 4.31Å |
| 129 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 113.9 | 170.4 | -57.2 | 166.3 | 0 | 0 | 0 | 107.7 | L45 A61 V62 T64 V69 I75 P95 I98 L131 | L45-I129 HydrophobicContact CD1-CD1 3.89Å; L45-I129 HydrophobicContact CD2-CD1 4.03Å; A61-I129 WeakPolarHBondContact CA-O 3.44Å; V62-I129 HydrophobicContact CB-CB 4.31Å; V62-I129 PolarHBondContact N-O 2.75Å; V62-I129 PolarHBondContact O-N 3.37Å; T64-I129 HydrophobicContact CG2-CD1 3.84Å; T64-I129 HydrophobicContact CG2-CG1 4.2Å; V69-I129 HydrophobicContact CG1-CD1 4.35Å; V69-I129 HydrophobicContact CG1-CG1 4.34Å; I75-I129 HydrophobicContact CD1-CD1 3.37Å; I75-I129 HydrophobicContact CD1-CG1 4.39Å; P95-I129 HydrophobicContact CB-CG2 3.59Å; I98-I129 HydrophobicContact CG1-CG1 4.32Å; I98-I129 HydrophobicContact CG1-CG2 4.44Å; I129-L131 HydrophobicContact CG2-CD2 4.32Å |
| 130 | T | 98.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 128.9 | 167.7 | -59 | 0 | 0 | 0 | 0 | 108.6 | R60 L96 E97 | R60-T130 CarbonylContact O-C 3.55Å; R60-T130 WeakPolarHBondContact O-CA 3.4Å; L96-T130 WeakPolarHBondContact CB-O 3.23Å; L96-T130 HydrophobicContact CD2-CG2 4.32Å; L96-T130 PolarHBondContact N-O 3.19Å; E97-T130 PolarHBondContact N-O 3.45Å; E97-T130 PolarHBondContact O-N 2.83Å |
| 131 | L | 98.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 150.2 | 178.6 | -57.4 | 177.3 | 0 | 0 | 0 | 111.5 | L56 R60 V62 V78 F80 H93 R94 I129 N133 V135 | L56-L131 HydrophobicContact CD1-CD1 4.42Å; R60-L131 WeakPolarHBondContact O-CG 3.25Å; R60-L131 PolarHBondContact O-N 3.36Å; V62-L131 HydrophobicContact CG2-CD1 4.23Å; V62-L131 HydrophobicContact CG2-CD2 4.33Å; V62-L131 HydrophobicContact CG2-CG 4.41Å; V78-L131 HydrophobicContact CB-CD2 3.97Å; V78-L131 HydrophobicContact CG1-CD2 3.99Å; V78-L131 HydrophobicContact CG2-CD2 3.88Å; F80-L131 HydrophobicContact CE2-CD1 3.98Å; F80-L131 HydrophobicContact CZ-CD1 4.16Å; H93-L131 HydrophobicContact CB-CD1 4.11Å; H93-L131 HydrophobicContact CB-CD2 3.99Å; H93-L131 HydrophobicContact CB-CG 4.44Å; R94-L131 WeakPolarHBondContact O-CA 3.24Å; I129-L131 HydrophobicContact CG2-CD2 4.32Å; L131-N133 VanDerWaalsContact C-N 3.32Å; L131-N133 PolarHBondContact O-N 3Å; L131-V135 HydrophobicContact CD1-CG2 3.62Å |
| 132 | T | 98.2 | Very high | 97.5 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -62.9 | -36.5 | 177.9 | -47.2 | 0 | 0 | 0 | 0 | 113.3 | R94 | R94-T132 PolarHBondContact O-N 2.86Å; R94-T132 PolarHBondContact O-OG1 3.07Å |
| 133 | N | 98.2 | Very high | 97.9 | Very high | 113 Ų | 113 | 48.2 Ų | 48.2 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -127.8 | 148 | 179.1 | -62.1 | -55 | 0 | 0 | 0 | 109.4 | H93 L131 | H93-N133 PolarHBondContact ND1-O 3.34Å; L131-N133 VanDerWaalsContact C-N 3.32Å; L131-N133 PolarHBondContact O-N 3Å |
| 134 | L | 98.4 | Very high | 98 | Very high | 115 Ų | 115 | 48.4 Ų | 48.4 | 60% | 0.602 | 25% | 0.254 | S | S | * | . | trans | -57.7 | 140.7 | 171.8 | -56.8 | -175.8 | 0 | 0 | 0 | 110.1 | S59 R60 N136 | S59-L134 CarbonylContact O-C 3.59Å; S59-L134 WeakPolarHBondContact O-CA 3.48Å; R60-L134 HydrophobicContact CB-CD2 3.74Å; R60-L134 HydrophobicContact CG-CD2 4.37Å; L134-N136 PolarHBondContact O-N 3.33Å | ||
| 135 | V | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | trans | -70.8 | 123.6 | 169.3 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | L56 S59 F80 L131 L137 V141 | L56-V135 HydrophobicContact CD1-CG2 3.86Å; L56-V135 HydrophobicContact CD2-CB 4.16Å; L56-V135 HydrophobicContact CD2-CG1 4.05Å; L56-V135 HydrophobicContact CD2-CG2 4.09Å; S59-V135 PolarHBondContact O-N 2.98Å; F80-V135 HydrophobicContact CD2-CG2 4.38Å; F80-V135 HydrophobicContact CE2-CG2 3.75Å; F80-V135 HydrophobicContact CZ-CG2 4.26Å; L131-V135 HydrophobicContact CD1-CG2 3.62Å; V135-L137 HydrophobicContact CB-CD2 4.48Å; V135-L137 HydrophobicContact CG1-CD2 4.16Å; V135-L137 PolarHBondContact O-N 3.35Å; V135-L137 VanDerWaalsContact O-N 3.15Å; V135-V141 HydrophobicContact CG1-CB 3.75Å; V135-V141 HydrophobicContact CG1-CG1 3.58Å; V135-V141 HydrophobicContact CG1-CG2 4.17Å | ||
| 136 | N | 97.9 | Very high | 98.1 | Very high | 84 Ų | 84 | 49.8 Ų | 49.8 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | trans | -73.7 | 102.9 | 171.9 | -177.7 | 0.9 | 0 | 0 | 0 | 109.7 | L134 E138 T139 | L134-N136 PolarHBondContact O-N 3.33Å; N136-E138 PolarHBondContact O-N 3.19Å; N136-E138 VanDerWaalsContact OD1-CB 3.3Å; N136-E138 WeakPolarHBondContact OD1-CB 3.46Å; N136-E138 WeakPolarHBondContact OD1-CG 3.42Å; N136-E138 PolarHBondContact OD1-N 2.85Å; N136-T139 HydrophobicContact CB-CG2 4.03Å; N136-T139 WeakPolarHBondContact O-CB 3.44Å; N136-T139 WeakPolarHBondContact O-CG2 3.46Å; N136-T139 PolarHBondContact O-N 3.46Å; N136-T139 PolarHBondContact O-OG1 3.13Å | ||
| 137 | L | 97.7 | Very high | 98.1 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -68.2 | -17.5 | -177.8 | -56.3 | -178 | 0 | 0 | 0 | 113.4 | L56 V135 T139 G140 V141 V143 | L56-L137 HydrophobicContact CD2-CD2 4.26Å; V135-L137 HydrophobicContact CB-CD2 4.48Å; V135-L137 HydrophobicContact CG1-CD2 4.16Å; V135-L137 PolarHBondContact O-N 3.35Å; V135-L137 VanDerWaalsContact O-N 3.15Å; L137-T139 PolarHBondContact O-N 3.11Å; L137-G140 PolarHBondContact O-N 3.45Å; L137-G140 VanDerWaalsContact O-N 3.14Å; L137-V141 WeakPolarHBondContact CD2-O 3.04Å; L137-V143 HydrophobicContact CD1-CG2 4.39Å; L137-V143 HydrophobicContact CD2-CG2 4.19Å |
| 138 | E | 97 | Very high | 98.1 | Very high | 182 Ų | 182 | 53 Ų | 53 | 85% | 0.85 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -65.8 | -18.2 | 174.7 | -58.9 | 179.7 | 164.2 | 0 | 0 | 112.4 | N136 G140 | N136-E138 PolarHBondContact O-N 3.19Å; N136-E138 VanDerWaalsContact OD1-CB 3.3Å; N136-E138 WeakPolarHBondContact OD1-CB 3.46Å; N136-E138 WeakPolarHBondContact OD1-CG 3.42Å; N136-E138 PolarHBondContact OD1-N 2.85Å; E138-G140 PolarHBondContact O-N 3.32Å |
| 139 | T | 95.8 | Very high | 98 | Very high | 62 Ų | 62 | 59.4 Ų | 59.4 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -72.3 | -8.1 | 175.3 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | I91 N136 L137 | I91-T139 VanDerWaalsContact CD1-CB 3.43Å; I91-T139 HydrophobicContact CD1-CG2 3.88Å; I91-T139 VanDerWaalsContact CD1-OG1 3.26Å; I91-T139 WeakPolarHBondContact CD1-OG1 3.35Å; N136-T139 HydrophobicContact CB-CG2 4.03Å; N136-T139 WeakPolarHBondContact O-CB 3.44Å; N136-T139 WeakPolarHBondContact O-CG2 3.46Å; N136-T139 PolarHBondContact O-N 3.46Å; N136-T139 PolarHBondContact O-OG1 3.13Å; L137-T139 PolarHBondContact O-N 3.11Å |
| 140 | G | 96.5 | Very high | 97.8 | Very high | 25 Ų | 25 | 67.3 Ų | 67.3 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 97.5 | -6.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P40 L137 E138 | P40-G140 VanDerWaalsContact CB-O 3.24Å; P40-G140 WeakPolarHBondContact CB-O 3.4Å; L137-G140 PolarHBondContact O-N 3.45Å; L137-G140 VanDerWaalsContact O-N 3.14Å; E138-G140 PolarHBondContact O-N 3.32Å |
| 141 | V | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | trans | -63 | 138.9 | 166.6 | -175.2 | 0 | 0 | 0 | 0 | 109 | P40 L56 F80 L81 I91 V135 L137 | P40-V141 WeakPolarHBondContact O-CA 3.49Å; P40-V141 WeakPolarHBondContact O-CG1 3.34Å; L56-V141 HydrophobicContact CD2-CG1 3.6Å; F80-V141 HydrophobicContact CB-CG1 4.14Å; F80-V141 HydrophobicContact CB-CG2 3.7Å; F80-V141 HydrophobicContact CD1-CG1 3.99Å; F80-V141 HydrophobicContact CD2-CG1 4.5Å; F80-V141 HydrophobicContact CG-CG1 3.95Å; F80-V141 HydrophobicContact CG-CG2 4.29Å; L81-V141 HydrophobicContact CD1-CG2 4.01Å; L81-V141 HydrophobicContact CD2-CG2 4.25Å; L81-V141 HydrophobicContact CG-CG2 3.82Å; I91-V141 HydrophobicContact CD1-CG2 3.94Å; V135-V141 HydrophobicContact CG1-CB 3.75Å; V135-V141 HydrophobicContact CG1-CG1 3.58Å; V135-V141 HydrophobicContact CG1-CG2 4.17Å; L137-V141 WeakPolarHBondContact CD2-O 3.04Å | ||
| 142 | K | 98.1 | Very high | 97.6 | Very high | 133 Ų | 133 | 72.4 Ų | 72.4 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | trans | -125.4 | 151.5 | 179.9 | -59.3 | -172.2 | 178.2 | -179.3 | 0 | 111.7 | P40 F41 | P40-K142 HydrophobicContact CB-CB 4.32Å; P40-K142 HydrophobicContact CB-CG 4.14Å; P40-K142 HydrophobicContact CG-CB 3.9Å; P40-K142 HydrophobicContact CG-CD 3.78Å; P40-K142 HydrophobicContact CG-CG 3.73Å; P40-K142 PolarHBondContact O-N 2.96Å; P40-K142 VanDerWaalsContact O-N 3.11Å; F41-K142 WeakPolarHBondContact CA-O 3.39Å; F41-K142 WeakPolarHBondContact CB-O 3.35Å | ||
| 143 | V | 98.6 | Very high | 97.4 | Very high | 60 Ų | 60 | 70 Ų | 70 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 132.6 | 168.2 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | L56 V57 L137 | L56-V143 HydrophobicContact CD2-CG2 4.04Å; L56-V143 HydrophobicContact CG-CG2 4.21Å; L56-V143 WeakPolarHBondContact O-CA 3.36Å; V57-V143 VanDerWaalsContact O-CG1 3.3Å; V57-V143 WeakPolarHBondContact O-CG1 3.5Å; L137-V143 HydrophobicContact CD1-CG2 4.39Å; L137-V143 HydrophobicContact CD2-CG2 4.19Å |
| 144 | I | 98.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 144.1 | 171.2 | -163.2 | 167 | 0 | 0 | 0 | 111.1 | F41 L56 V57 L222 I229 | F41-I144 HydrophobicContact CB-CB 3.9Å; F41-I144 HydrophobicContact CB-CG2 4.29Å; F41-I144 HydrophobicContact CD1-CB 4.1Å; F41-I144 HydrophobicContact CD1-CD1 4.08Å; F41-I144 HydrophobicContact CD1-CG1 4.36Å; F41-I144 HydrophobicContact CD2-CB 4.13Å; F41-I144 HydrophobicContact CD2-CD1 3.78Å; F41-I144 HydrophobicContact CD2-CG2 4.32Å; F41-I144 HydrophobicContact CE1-CD1 3.85Å; F41-I144 HydrophobicContact CE1-CG1 4.49Å; F41-I144 HydrophobicContact CE2-CD1 3.54Å; F41-I144 HydrophobicContact CG-CB 3.78Å; F41-I144 HydrophobicContact CG-CD1 4.04Å; F41-I144 HydrophobicContact CG-CG1 4.38Å; F41-I144 HydrophobicContact CG-CG2 4.34Å; F41-I144 HydrophobicContact CZ-CD1 3.56Å; L56-I144 PolarHBondContact O-N 3.01Å; V57-I144 HydrophobicContact CG1-CG2 4.18Å; I144-L222 HydrophobicContact CD1-CD2 3.39Å; I144-I229 HydrophobicContact CG2-CG2 4.27Å |
| 145 | S | 98.2 | Very high | 97 | Very high | 72 Ų | 72 | 68.9 Ų | 68.9 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 147.6 | 174.6 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | P228 I229 | S145-P228 CarbonylContact O-C 3.54Å; S145-P228 VanDerWaalsContact O-CA 3.3Å; S145-P228 WeakPolarHBondContact O-CA 3.37Å; S145-P228 WeakPolarHBondContact O-CB 3.33Å; S145-I229 PolarHBondContact O-N 3.49Å |
| 146 | L | 98.7 | Very high | 96.8 | Very high | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 141.3 | 172.9 | -57.2 | 176.3 | 0 | 0 | 0 | 110.3 | V57 L63 I229 V252 L256 I259 L260 I263 | V57-L146 HydrophobicContact CB-CD2 4.06Å; V57-L146 HydrophobicContact CG1-CD2 3.64Å; L63-L146 HydrophobicContact CD2-CD2 4.09Å; L146-I229 HydrophobicContact CD2-CG2 3.67Å; L146-V252 HydrophobicContact CB-CG1 4.07Å; L146-V252 HydrophobicContact CD2-CG1 4.02Å; L146-L256 HydrophobicContact CB-CD2 4.27Å; L146-L256 HydrophobicContact CD1-CD2 4.13Å; L146-I259 HydrophobicContact CD1-CG2 3.55Å; L146-I259 HydrophobicContact CD2-CG2 4.35Å; L146-L260 HydrophobicContact CD1-CD2 3.91Å; L146-I263 HydrophobicContact CD1-CD1 4.18Å |
| 147 | A | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 142.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D151 P228 I229 V230 P253 | A147-D151 HydrophobicContact CB-CB 3.73Å; A147-P228 HydrophobicContact CB-CB 4.17Å; A147-P228 HydrophobicContact CB-CG 4.09Å; A147-I229 WeakPolarHBondContact CB-O 3.47Å; A147-I229 PolarHBondContact N-O 3.19Å; A147-V230 HydrophobicContact CB-CB 3.97Å; A147-V230 HydrophobicContact CB-CG2 3.96Å; A147-P253 HydrophobicContact CB-CG 3.76Å |
| 148 | T | 98.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 172.5 | 176.5 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | L150 D151 P253 | T148-L150 PolarHBondContact O-N 3.39Å; T148-L150 VanDerWaalsContact O-N 3.08Å; T148-L150 PolarHBondContact OG1-N 2.86Å; T148-D151 WeakPolarHBondContact CB-OD2 3.43Å; T148-D151 PolarHBondContact N-OD2 2.91Å; T148-D151 WeakPolarHBondContact O-CB 3.13Å; T148-D151 PolarHBondContact O-N 3.42Å; T148-D151 PolarHBondContact OG1-OD2 2.98Å; T148-P253 VanDerWaalsContact O-CB 3.28Å; T148-P253 WeakPolarHBondContact O-CB 3.28Å; T148-P253 VanDerWaalsContact O-CG 3.28Å; T148-P253 WeakPolarHBondContact O-CG 3.37Å |
| 149 | E | 96.2 | Very high | 96.4 | Very high | 136 Ų | 136 | 62.5 Ų | 62.5 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -58.1 | -21 | 174.4 | -63.8 | -176.2 | 176.4 | 0 | 0 | 113.6 | L256 | E149-L256 HydrophobicContact CG-CD1 4.35Š|
| 150 | L | 96 | Very high | 96.4 | Very high | 165 Ų | 165 | 63.7 Ų | 63.7 | 86% | 0.864 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -82.2 | -13.8 | 176.4 | -58.8 | 177.1 | 0 | 0 | 0 | 113.4 | T148 | T148-L150 PolarHBondContact O-N 3.39Å; T148-L150 VanDerWaalsContact O-N 3.08Å; T148-L150 PolarHBondContact OG1-N 2.86Å |
| 151 | D | 96.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -97 | 11.2 | -172.2 | -66.4 | -51 | 0 | 0 | 0 | 112.7 | A147 T148 L223 V230 | A147-D151 HydrophobicContact CB-CB 3.73Å; T148-D151 WeakPolarHBondContact CB-OD2 3.43Å; T148-D151 PolarHBondContact N-OD2 2.91Å; T148-D151 WeakPolarHBondContact O-CB 3.13Å; T148-D151 PolarHBondContact O-N 3.42Å; T148-D151 PolarHBondContact OG1-OD2 2.98Å; D151-L223 HydrophobicContact CB-CD1 3.9Å; D151-V230 WeakPolarHBondContact O-CG2 3.13Å |
| 152 | I | 95.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 32% | 0.323 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 121.2 | 175.7 | -61.9 | 175.8 | 0 | 0 | 0 | 108.4 | P253 R254 | I152-P253 HydrophobicContact CD1-CB 4.35Å; I152-P253 HydrophobicContact CG1-CB 3.75Å; I152-P253 HydrophobicContact CG1-CG 4.05Å; I152-R254 HydrophobicContact CD1-CG 4.33Å |
| 153 | P | 94.8 | Very high | 96 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 139.2 | -169.9 | 30.3 | -31.3 | 0 | 0 | 0 | 110.4 | I188 I200 L223 V230 | P153-I188 HydrophobicContact CB-CD1 4.23Å; P153-I188 HydrophobicContact CB-CG1 4.01Å; P153-I188 HydrophobicContact CB-CG2 4.42Å; P153-I188 HydrophobicContact CG-CD1 3.9Å; P153-I188 HydrophobicContact CG-CG1 4.21Å; P153-I188 HydrophobicContact CG-CG2 4.33Å; P153-I200 HydrophobicContact CG-CD1 4.04Å; P153-I200 HydrophobicContact CG-CG1 4.49Å; P153-I200 HydrophobicContact CG-CG2 4.18Å; P153-L223 HydrophobicContact CB-CD2 4.1Å; P153-V230 HydrophobicContact CG-CG2 4.15Å |
| 154 | I | 94.3 | Very high | 95.8 | Very high | 126 Ų | 126 | 53.6 Ų | 53.6 | 65% | 0.646 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 150.5 | 176.4 | 61.4 | 173.5 | 0 | 0 | 0 | 111 | S157 I188 | I154-S157 WeakPolarHBondContact O-CB 3.38Å; I154-S157 PolarHBondContact O-N 3.31Å; I154-S157 PolarHBondContact O-OG 2.96Å; I154-I188 WeakPolarHBondContact O-CG2 3.14Å |
| 155 | P | 94.3 | Very high | 95.3 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 51% | 0.506 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 149 | 172 | -27.8 | 36 | 0 | 0 | 0 | 113.1 | S157 | P155-S157 PolarHBondContact O-N 2.89Š|
| 156 | E | 93.6 | Very high | 94.4 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | -3.8 | -176.6 | -53.5 | -59.7 | 139.8 | 0 | 0 | 115.9 | I188 K203 | E156-I188 WeakPolarHBondContact CA-O 3.46Å; E156-I188 PolarHBondContact N-O 2.78Å; E156-K203 IonicContact OE1-NZ 3.64Å; E156-K203 PolarHBondContact OE1-NZ 3.39Å; E156-K203 IonicContact OE2-NZ 3.26Å; E156-K203 PolarHBondContact OE2-NZ 3.38Å |
| 157 | S | 94.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | trans | -66.4 | 152.3 | 168.1 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | I154 P155 I188 | I154-S157 WeakPolarHBondContact O-CB 3.38Å; I154-S157 PolarHBondContact O-N 3.31Å; I154-S157 PolarHBondContact O-OG 2.96Å; P155-S157 PolarHBondContact O-N 2.89Å; S157-I188 WeakPolarHBondContact O-CG1 3.23Å; S157-I188 PolarHBondContact O-N 3.18Å; S157-I188 VanDerWaalsContact OG-CG1 3.3Å; S157-I188 WeakPolarHBondContact OG-CG1 3.33Å | ||
| 158 | I | 94.4 | Very high | 91.6 | Very high | 68 Ų | 68 | 57.2 Ų | 57.2 | 35% | 0.349 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 133 | 173.4 | -58.7 | -49.5 | 0 | 0 | 0 | 109.1 | T187 P206 | I158-T187 HydrophobicContact CD1-CG2 4.38Å; I158-T187 WeakPolarHBondContact CD1-OG1 3.43Å; I158-P206 HydrophobicContact CD1-CG 3.77Å; I158-P206 HydrophobicContact CG1-CG 4.45Å |
| 159 | A | 95.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 154.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S185 A186 I188 L221 L222 | A159-S185 CarbonylContact O-C 3.49Å; A159-S185 VanDerWaalsContact O-CA 3.23Å; A159-S185 WeakPolarHBondContact O-CA 3.3Å; A159-A186 PolarHBondContact N-O 3.4Å; A159-A186 PolarHBondContact O-N 3.42Å; A159-I188 HydrophobicContact CB-CD1 3.83Å; A159-I188 HydrophobicContact CB-CG1 4.2Å; A159-L221 HydrophobicContact CB-CD1 3.57Å; A159-L221 HydrophobicContact CB-CD2 4.26Å; A159-L221 HydrophobicContact CB-CG 3.76Å; A159-L222 WeakPolarHBondContact CA-O 3.08Å |
| 160 | Y | 95.4 | Very high | 88.5 | Confident | 87 Ų | 87 | 57.3 Ų | 57.3 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 145.6 | -177.1 | -57.2 | -94.5 | 0 | 0 | 0 | 110.3 | G184 L221 L222 P225 | Y160-G184 WeakPolarHBondContact CA-O 3.25Å; Y160-L221 CarbonylContact O-C 3.59Å; Y160-L221 WeakPolarHBondContact O-CA 3.12Å; Y160-L222 PolarHBondContact N-O 3.41Å; Y160-L222 PolarHBondContact O-N 3.12Å; Y160-P225 HydrophobicContact CD1-CG 3.82Å; Y160-P225 HydrophobicContact CD2-CG 4.3Å; Y160-P225 HydrophobicContact CE1-CG 3.85Å; Y160-P225 HydrophobicContact CE2-CG 4.36Å; Y160-P225 HydrophobicContact CG-CG 4.04Å |
| 161 | M | 95 | Very high | 87 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.7 | 179.4 | 55.1 | -178.4 | 159.4 | 0 | 0 | 110.1 | I27 K183 G184 S185 A186 Q210 I211 A212 P220 | I27-M161 HydrophobicContact CD1-CB 4.49Å; I27-M161 HydrophobicContact CD1-CG 4.05Å; I27-M161 HydrophobicContact CG1-CG 4.29Å; I27-M161 HydrophobicContact CG1-SD 4.15Å; I27-M161 HydrophobicContact CG2-CE 4.08Å; I27-M161 HydrophobicContact CG2-SD 4.45Å; M161-K183 CarbonylContact O-C 3.52Å; M161-K183 WeakPolarHBondContact O-CA 3.34Å; M161-G184 PolarHBondContact N-O 3.16Å; M161-G184 PolarHBondContact O-N 2.85Å; M161-S185 VanDerWaalsContact CE-O 3.3Å; M161-S185 WeakPolarHBondContact CE-O 3.48Å; M161-A186 HydrophobicContact CE-CB 3.94Å; M161-A186 HydrophobicContact SD-CB 4.38Å; M161-Q210 HydrophobicContact CE-CB 3.78Å; M161-I211 VanDerWaalsContact CE-O 3.3Å; M161-I211 WeakPolarHBondContact CE-O 3.4Å; M161-A212 HydrophobicContact SD-CB 4.39Å; M161-P220 WeakPolarHBondContact CA-O 3.38Å |
| 162 | V | 95.3 | Very high | 85.4 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.3 | -179.6 | 49.9 | 0 | 0 | 0 | 0 | 109 | F39 I42 L181 K182 P220 L222 | F39-V162 HydrophobicContact CB-CG2 4.25Å; F39-V162 HydrophobicContact CD1-CB 4.24Å; F39-V162 HydrophobicContact CD1-CG1 3.94Å; F39-V162 HydrophobicContact CD1-CG2 4.24Å; F39-V162 HydrophobicContact CD2-CG2 4.2Å; F39-V162 HydrophobicContact CE1-CB 4.41Å; F39-V162 HydrophobicContact CE1-CG1 4.32Å; F39-V162 HydrophobicContact CG-CB 4.46Å; F39-V162 HydrophobicContact CG-CG1 4.44Å; F39-V162 HydrophobicContact CG-CG2 3.97Å; I42-V162 HydrophobicContact CD1-CB 4.45Å; I42-V162 HydrophobicContact CD1-CG1 3.41Å; I42-V162 VanDerWaalsContact CD1-CG1 3.41Å; I42-V162 HydrophobicContact CD1-CG2 4.24Å; I42-V162 HydrophobicContact CG1-CG1 3.86Å; I42-V162 HydrophobicContact CG1-CG2 3.93Å; V162-L181 HydrophobicContact CG2-CD1 3.54Å; V162-L181 HydrophobicContact CG2-CG 4.2Å; V162-K182 VanDerWaalsContact CA-O 3.24Å; V162-K182 WeakPolarHBondContact CA-O 3.35Å; V162-K182 WeakPolarHBondContact CG2-O 3.41Å; V162-P220 HydrophobicContact CG1-CG 3.62Å; V162-L222 HydrophobicContact CG1-CD1 4.26Å |
| 163 | G | 95.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 177.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | T53 K182 D216 | T53-G163 WeakPolarHBondContact OG1-CA 3.3Å; G163-K182 PolarHBondContact N-O 2.97Å; G163-K182 PolarHBondContact O-N 3.48Å; G163-D216 VanDerWaalsContact C-OD1 3.24Å; G163-D216 WeakPolarHBondContact CA-OD1 3.3Å |
| 164 | Y | 92.9 | Very high | 82 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | trans | -106.7 | 16.2 | -175.1 | -61.8 | -87.5 | 0 | 0 | 0 | 113.5 | I42 L44 M51 T53 S82 G179 L181 D216 | I42-Y164 HydrophobicContact CG2-CD2 4.49Å; I42-Y164 HydrophobicContact CG2-CE2 3.56Å; L44-Y164 HydrophobicContact CB-CD2 4.06Å; L44-Y164 HydrophobicContact CB-CE1 4.17Å; L44-Y164 HydrophobicContact CB-CE2 3.57Å; L44-Y164 HydrophobicContact CD1-CD1 4.14Å; L44-Y164 HydrophobicContact CD1-CD2 3.76Å; L44-Y164 HydrophobicContact CD1-CE2 4.18Å; L44-Y164 HydrophobicContact CD1-CG 3.74Å; L44-Y164 HydrophobicContact CG-CE2 4.45Å; M51-Y164 WeakPolarHBondContact CE-O 3.43Å; T53-Y164 HydrophobicContact CG2-CD2 4.15Å; T53-Y164 HydrophobicContact CG2-CE2 4.38Å; T53-Y164 PolarHBondContact OG1-N 2.83Å; S82-Y164 WeakPolarHBondContact O-CE1 3.33Å; S82-Y164 PolarHBondContact O-OH 2.63Å; Y164-G179 PolarHBondContact O-N 3.4Å; Y164-L181 HydrophobicContact CD1-CB 4Å; Y164-L181 HydrophobicContact CD1-CD1 4.23Å; Y164-L181 HydrophobicContact CD2-CD1 4.29Å; Y164-L181 HydrophobicContact CE1-CB 3.63Å; Y164-L181 HydrophobicContact CE1-CD1 3.88Å; Y164-L181 HydrophobicContact CE1-CG 4.24Å; Y164-L181 HydrophobicContact CE2-CD1 3.93Å; Y164-L181 HydrophobicContact CG-CD1 4.42Å; Y164-D216 PolarHBondContact N-OD1 2.88Å | ||
| 165 | G | 88.2 | Confident | 80.4 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | trans | -58.2 | 162.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D167 P214 D216 | G165-D167 PolarHBondContact O-N 2.87Å; G165-P214 CarbonylContact C-O 3.08Å; G165-P214 WeakPolarHBondContact CA-O 3.46Å; G165-D216 WeakPolarHBondContact CA-OD1 3.42Å; G165-D216 PolarHBondContact N-OD1 2.91Å | ||
| 166 | Q | 80 | Confident | 79 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | trans | -75.9 | 110 | -172.2 | -67.7 | -179.9 | -4.8 | 0 | 0 | 115.7 | L26 M51 Y177 P214 | L26-Q166 WeakPolarHBondContact CD2-O 3.4Å; L26-Q166 WeakPolarHBondContact CG-O 3.44Å; M51-Q166 HydrophobicContact CE-CG 4.24Å; Q166-Y177 CarbonylContact C-O 3.54Å; Q166-Y177 VanDerWaalsContact C-O 3.29Å; Q166-Y177 WeakPolarHBondContact CA-O 3.45Å; Q166-P214 PolarHBondContact N-O 3.32Å | ||
| 167 | D | 73.2 | Confident | 77.8 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | trans | -95.5 | 105.7 | 171.1 | -158.4 | -18.6 | 0 | 0 | 0 | 115.4 | L26 G165 R169 D170 Y177 K182 | L26-D167 HydrophobicContact CD1-CB 3.57Å; L26-D167 WeakPolarHBondContact CD1-OD1 3.32Å; L26-D167 VanDerWaalsContact CD2-CA 3.47Å; L26-D167 HydrophobicContact CD2-CB 3.7Å; L26-D167 HydrophobicContact CG-CB 4.08Å; G165-D167 PolarHBondContact O-N 2.87Å; D167-R169 PolarHBondContact O-N 2.89Å; D167-R169 WeakPolarHBondContact OD1-CA 3.41Å; D167-R169 WeakPolarHBondContact OD1-CB 3.42Å; D167-R169 PolarHBondContact OD1-N 2.81Å; D167-R169 IonicContact OD1-NE 3.77Å; D167-D170 HydrophobicContact CB-CB 4.02Å; D167-D170 CarbonylContact O-C 2.93Å; D167-D170 PolarHBondContact O-N 2.83Å; D167-Y177 CarbonylContact C-O 3.26Å; D167-Y177 WeakPolarHBondContact CA-O 3.48Å; D167-Y177 PolarHBondContact N-O 3.15Å; D167-K182 IonicContact OD2-NZ 3.83Å; D167-K182 PolarHBondContact OD2-NZ 2.77Å | ||
| 168 | I | 65.6 | Low | 77 | Confident | 86 Ų | 86 | 54 Ų | 54 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.7 | 175 | 63.8 | 164.3 | 0 | 0 | 0 | 113.9 | Y177 | I168-Y177 VanDerWaalsContact CA-CD1 3.44Å; I168-Y177 HydrophobicContact CB-CD1 4.17Å; I168-Y177 HydrophobicContact CB-CE1 4.43Å; I168-Y177 HydrophobicContact CG2-CD1 4.22Å; I168-Y177 HydrophobicContact CG2-CD2 4.46Å; I168-Y177 HydrophobicContact CG2-CG 4.09Å |
| 169 | R | 65.7 | Low | 76.6 | Confident | 149 Ų | 149 | 50.8 Ų | 50.8 | 56% | 0.562 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -7.7 | 180 | -62.1 | 179.8 | -63.8 | 176.8 | 3.4 | 113.2 | S29 D167 P171 | S29-R169 PolarHBondContact OG-NH2 2.86Å; D167-R169 PolarHBondContact O-N 2.89Å; D167-R169 WeakPolarHBondContact OD1-CA 3.41Å; D167-R169 WeakPolarHBondContact OD1-CB 3.42Å; D167-R169 PolarHBondContact OD1-N 2.81Å; D167-R169 IonicContact OD1-NE 3.77Å; R169-P171 VanDerWaalsContact C-CD 3.49Å |
| 170 | D | 61.9 | Low | 76.3 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -136.3 | 65.7 | -179.9 | -175.6 | 27.6 | 0 | 0 | 0 | 109 | D167 K182 | D167-D170 HydrophobicContact CB-CB 4.02Å; D167-D170 CarbonylContact O-C 2.93Å; D167-D170 PolarHBondContact O-N 2.83Å; D170-K182 VanDerWaalsContact CB-NZ 3.29Å; D170-K182 WeakPolarHBondContact OD2-CE 3.21Å; D170-K182 IonicContact OD2-NZ 3.56Å; D170-K182 PolarHBondContact OD2-NZ 3.22Å |
| 171 | P | 66.2 | Low | 76.1 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | trans | -63.3 | 141.5 | 172.7 | 28.7 | -33.5 | 0 | 0 | 0 | 109.4 | R169 R176 Y177 | R169-P171 VanDerWaalsContact C-CD 3.49Å; P171-R176 CarbonylContact C-O 3.42Å; P171-R176 VanDerWaalsContact CA-O 3.29Å; P171-R176 WeakPolarHBondContact CA-O 3.16Å; P171-Y177 HydrophobicContact CB-CD1 4.05Å; P171-Y177 HydrophobicContact CB-CE1 4.15Å | ||
| 172 | D | 61.7 | Low | 75.9 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | trans | -60.8 | 167.2 | 166.5 | 79.3 | 6.3 | 0 | 0 | 0 | 110.5 | F86 S174 G175 R176 I180 | F86-D172 WeakPolarHBondContact CE2-OD2 3.3Å; D172-S174 PolarHBondContact O-N 2.9Å; D172-S174 VanDerWaalsContact OD1-C 3.22Å; D172-S174 WeakPolarHBondContact OD1-CA 3.43Å; D172-S174 WeakPolarHBondContact OD1-CB 3.21Å; D172-S174 PolarHBondContact OD1-N 3.49Å; D172-S174 PolarHBondContact OD1-OG 3.32Å; D172-S174 PolarHBondContact OD2-OG 2.93Å; D172-G175 PolarHBondContact O-N 3.02Å; D172-G175 PolarHBondContact OD1-N 3.23Å; D172-R176 PolarHBondContact N-O 2.85Å; D172-R176 PolarHBondContact OD1-N 3.06Å; D172-R176 IonicContact OD2-CZ 3.86Å; D172-R176 IonicContact OD2-NE 2.86Å; D172-R176 PolarHBondContact OD2-NE 3.41Å; D172-R176 IonicContact OD2-NH2 3.18Å; D172-I180 HydrophobicContact CB-CD1 4.5Å | ||
| 173 | P | 59.9 | Low | 75.8 | Confident | 151 Ų | 151 | 51.3 Ų | 51.3 | 98% | 0.981 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14.5 | 177.8 | -26.7 | 35.7 | 0 | 0 | 0 | 115.1 | ||
| 174 | S | 58.2 | Low | 75.6 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 1.8 | 174.5 | 70.6 | 0 | 0 | 0 | 0 | 113.9 | D172 R176 | D172-S174 PolarHBondContact O-N 2.9Å; D172-S174 VanDerWaalsContact OD1-C 3.22Å; D172-S174 WeakPolarHBondContact OD1-CA 3.43Å; D172-S174 WeakPolarHBondContact OD1-CB 3.21Å; D172-S174 PolarHBondContact OD1-N 3.49Å; D172-S174 PolarHBondContact OD1-OG 3.32Å; D172-S174 PolarHBondContact OD2-OG 2.93Å; S174-R176 PolarHBondContact OG-NE 3.23Å; S174-R176 PolarHBondContact OG-NH2 2.62Å |
| 175 | G | 61.3 | Low | 75.6 | Confident | 42 Ų | 42 | 52.8 Ų | 52.8 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 82.9 | 9.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | D172 | D172-G175 PolarHBondContact O-N 3.02Å; D172-G175 PolarHBondContact OD1-N 3.23Å |
| 176 | R | 65.6 | Low | 75.9 | Confident | 105 Ų | 105 | 52.6 Ų | 52.6 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | trans | -84.3 | 137.8 | 175.3 | -78 | 179.8 | -72.6 | -146.5 | -15 | 110.6 | E85 F86 P171 D172 S174 | E85-R176 IonicContact OE1-CZ 3.81Å; E85-R176 IonicContact OE1-NE 2.86Å; E85-R176 IonicContact OE1-NH1 3.86Å; F86-R176 VanDerWaalsContact CE1-NH2 3.34Å; P171-R176 CarbonylContact C-O 3.42Å; P171-R176 VanDerWaalsContact CA-O 3.29Å; P171-R176 WeakPolarHBondContact CA-O 3.16Å; D172-R176 PolarHBondContact N-O 2.85Å; D172-R176 PolarHBondContact OD1-N 3.06Å; D172-R176 IonicContact OD2-CZ 3.86Å; D172-R176 IonicContact OD2-NE 2.86Å; D172-R176 PolarHBondContact OD2-NE 3.41Å; D172-R176 IonicContact OD2-NH2 3.18Å; S174-R176 PolarHBondContact OG-NE 3.23Å; S174-R176 PolarHBondContact OG-NH2 2.62Å | ||
| 177 | Y | 68.3 | Low | 76.5 | Confident | 122 Ų | 122 | 49 Ų | 49 | 48% | 0.478 | 27% | 0.265 | S | S | . | . | trans | -80.4 | -16.4 | -175.2 | -57 | -60.9 | 0 | 0 | 0 | 112.8 | Q166 D167 I168 P171 | Q166-Y177 CarbonylContact C-O 3.54Å; Q166-Y177 VanDerWaalsContact C-O 3.29Å; Q166-Y177 WeakPolarHBondContact CA-O 3.45Å; D167-Y177 CarbonylContact C-O 3.26Å; D167-Y177 WeakPolarHBondContact CA-O 3.48Å; D167-Y177 PolarHBondContact N-O 3.15Å; I168-Y177 VanDerWaalsContact CA-CD1 3.44Å; I168-Y177 HydrophobicContact CB-CD1 4.17Å; I168-Y177 HydrophobicContact CB-CE1 4.43Å; I168-Y177 HydrophobicContact CG2-CD1 4.22Å; I168-Y177 HydrophobicContact CG2-CD2 4.46Å; I168-Y177 HydrophobicContact CG2-CG 4.09Å; P171-Y177 HydrophobicContact CB-CD1 4.05Å; P171-Y177 HydrophobicContact CB-CE1 4.15Å | ||
| 178 | G | 77.6 | Confident | 77.6 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | trans | -123.6 | -179.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 179 | G | 84.5 | Confident | 78.9 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | 95 | -0.1 | 168 | 0 | 0 | 0 | 0 | 0 | 113.8 | S84 E85 Y164 | S84-G179 CarbonylContact C-O 3.48Å; S84-G179 VanDerWaalsContact C-O 3.25Å; S84-G179 WeakPolarHBondContact CA-O 3.48Å; E85-G179 PolarHBondContact N-O 2.91Å; Y164-G179 PolarHBondContact O-N 3.4Å | ||
| 180 | I | 89.4 | Confident | 80.3 | Confident | 41 Ų | 41 | 41 Ų | 41 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -91.5 | 131.1 | 170.8 | -61.5 | 170.3 | 0 | 0 | 0 | 109.1 | P32 D172 K182 | P32-I180 HydrophobicContact CB-CG2 4.33Å; D172-I180 HydrophobicContact CB-CD1 4.5Å; I180-K182 PolarHBondContact O-N 2.78Å |
| 181 | L | 92 | Very high | 81.7 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | trans | -68.8 | 119.2 | 177.6 | -174 | 60.9 | 0 | 0 | 0 | 110.5 | V33 I42 L83 V162 Y164 | V33-L181 HydrophobicContact CB-CB 4.37Å; V33-L181 HydrophobicContact CB-CD2 4.03Å; V33-L181 HydrophobicContact CB-CG 4.02Å; V33-L181 HydrophobicContact CG1-CD2 4.1Å; V33-L181 HydrophobicContact CG2-CD2 4.08Å; V33-L181 HydrophobicContact CG2-CG 3.82Å; V33-L181 PolarHBondContact N-O 3.45Å; I42-L181 HydrophobicContact CG2-CD1 3.86Å; L83-L181 HydrophobicContact CD2-CD2 4.49Å; L83-L181 PolarHBondContact O-N 2.85Å; V162-L181 HydrophobicContact CG2-CD1 3.54Å; V162-L181 HydrophobicContact CG2-CG 4.2Å; Y164-L181 HydrophobicContact CD1-CB 4Å; Y164-L181 HydrophobicContact CD1-CD1 4.23Å; Y164-L181 HydrophobicContact CD2-CD1 4.29Å; Y164-L181 HydrophobicContact CE1-CB 3.63Å; Y164-L181 HydrophobicContact CE1-CD1 3.88Å; Y164-L181 HydrophobicContact CE1-CG 4.24Å; Y164-L181 HydrophobicContact CE2-CD1 3.93Å; Y164-L181 HydrophobicContact CG-CD1 4.42Å | ||
| 182 | K | 91.9 | Very high | 82.8 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.035 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.6 | 178.8 | -74.1 | 177.7 | 173 | 170.2 | 0 | 111.4 | I27 E31 V162 G163 D167 D170 I180 | I27-K182 HydrophobicContact CD1-CB 4.47Å; I27-K182 WeakPolarHBondContact CD1-O 3.35Å; E31-K182 CarbonylContact O-C 3.25Å; E31-K182 VanDerWaalsContact O-CA 3.31Å; E31-K182 WeakPolarHBondContact O-CA 3.1Å; V162-K182 VanDerWaalsContact CA-O 3.24Å; V162-K182 WeakPolarHBondContact CA-O 3.35Å; V162-K182 WeakPolarHBondContact CG2-O 3.41Å; G163-K182 PolarHBondContact N-O 2.97Å; G163-K182 PolarHBondContact O-N 3.48Å; D167-K182 IonicContact OD2-NZ 3.83Å; D167-K182 PolarHBondContact OD2-NZ 2.77Å; D170-K182 VanDerWaalsContact CB-NZ 3.29Å; D170-K182 WeakPolarHBondContact OD2-CE 3.21Å; D170-K182 IonicContact OD2-NZ 3.56Å; D170-K182 PolarHBondContact OD2-NZ 3.22Å; I180-K182 PolarHBondContact O-N 2.78Å |
| 183 | K | 92.6 | Very high | 84.2 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 21% | 0.213 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152.4 | 174.3 | 71.4 | -167.4 | -178.1 | -169.6 | 0 | 110.9 | G30 E31 V33 E38 F39 M161 | G30-K183 CarbonylContact C-O 3.56Å; G30-K183 WeakPolarHBondContact CA-O 3.1Å; E31-K183 HydrophobicContact CB-CG 4.27Å; E31-K183 PolarHBondContact N-O 2.85Å; E31-K183 PolarHBondContact O-N 2.55Å; E31-K183 WeakPolarHBondContact OE2-CE 3.36Å; V33-K183 HydrophobicContact CG2-CB 4.16Å; V33-K183 HydrophobicContact CG2-CD 4.24Å; V33-K183 HydrophobicContact CG2-CG 4.41Å; E38-K183 VanDerWaalsContact CD-NZ 3.32Å; E38-K183 WeakPolarHBondContact OE1-CD 3.44Å; E38-K183 IonicContact OE1-NZ 2.93Å; E38-K183 PolarHBondContact OE1-NZ 2.88Å; E38-K183 IonicContact OE2-NZ 3.11Å; E38-K183 PolarHBondContact OE2-NZ 2.97Å; F39-K183 HydrophobicContact CE2-CB 3.87Å; F39-K183 HydrophobicContact CE2-CD 3.62Å; F39-K183 HydrophobicContact CE2-CG 4.37Å; F39-K183 HydrophobicContact CZ-CB 3.95Å; F39-K183 HydrophobicContact CZ-CD 4Å; M161-K183 CarbonylContact O-C 3.52Å; M161-K183 WeakPolarHBondContact O-CA 3.34Å |
| 184 | G | 91.5 | Very high | 85.6 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | -174.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y160 M161 | Y160-G184 WeakPolarHBondContact CA-O 3.25Å; M161-G184 PolarHBondContact N-O 3.16Å; M161-G184 PolarHBondContact O-N 2.85Å |
| 185 | S | 92.7 | Very high | 87.3 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.9 | 178.9 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | A159 M161 G205 Q210 | A159-S185 CarbonylContact O-C 3.49Å; A159-S185 VanDerWaalsContact O-CA 3.23Å; A159-S185 WeakPolarHBondContact O-CA 3.3Å; M161-S185 VanDerWaalsContact CE-O 3.3Å; M161-S185 WeakPolarHBondContact CE-O 3.48Å; S185-G205 WeakPolarHBondContact O-CA 3.37Å; S185-Q210 WeakPolarHBondContact O-CB 3.42Å; S185-Q210 PolarHBondContact O-OE1 3.26Å; S185-Q210 PolarHBondContact OG-OE1 2.67Å; S185-Q210 VanDerWaalsContact OG-OE1 3.12Å |
| 186 | A | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 161.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A159 M161 V202 | A159-A186 PolarHBondContact N-O 3.4Å; A159-A186 PolarHBondContact O-N 3.42Å; M161-A186 HydrophobicContact CE-CB 3.94Å; M161-A186 HydrophobicContact SD-CB 4.38Å; A186-V202 HydrophobicContact CB-CB 3.85Å; A186-V202 HydrophobicContact CB-CG1 4.21Å; A186-V202 HydrophobicContact CB-CG2 3.99Å |
| 187 | T | 93.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.8 | 175.1 | -56.9 | 0 | 0 | 0 | 0 | 109.3 | I158 V202 K203 | I158-T187 HydrophobicContact CD1-CG2 4.38Å; I158-T187 WeakPolarHBondContact CD1-OG1 3.43Å; T187-V202 VanDerWaalsContact O-CA 3.31Å; T187-V202 WeakPolarHBondContact O-CA 3.48Å; T187-K203 HydrophobicContact CG2-CG 4.42Å; T187-K203 PolarHBondContact N-O 2.03Å; T187-K203 VanDerWaalsContact N-O 3.12Å; T187-K203 PolarHBondContact O-N 2.59Å |
| 188 | I | 95.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 138.1 | 176.7 | -56.5 | -68.7 | 0 | 0 | 0 | 108.8 | P153 I154 E156 S157 A159 I200 V202 L221 | P153-I188 HydrophobicContact CB-CD1 4.23Å; P153-I188 HydrophobicContact CB-CG1 4.01Å; P153-I188 HydrophobicContact CB-CG2 4.42Å; P153-I188 HydrophobicContact CG-CD1 3.9Å; P153-I188 HydrophobicContact CG-CG1 4.21Å; P153-I188 HydrophobicContact CG-CG2 4.33Å; I154-I188 WeakPolarHBondContact O-CG2 3.14Å; E156-I188 WeakPolarHBondContact CA-O 3.46Å; E156-I188 PolarHBondContact N-O 2.78Å; S157-I188 WeakPolarHBondContact O-CG1 3.23Å; S157-I188 PolarHBondContact O-N 3.18Å; S157-I188 VanDerWaalsContact OG-CG1 3.3Å; S157-I188 WeakPolarHBondContact OG-CG1 3.33Å; A159-I188 HydrophobicContact CB-CD1 3.83Å; A159-I188 HydrophobicContact CB-CG1 4.2Å; I188-I200 HydrophobicContact CD1-CG2 3.64Å; I188-I200 HydrophobicContact CG2-CG2 4.43Å; I188-V202 HydrophobicContact CD1-CG1 3.75Å; I188-L221 HydrophobicContact CD1-CD2 3.84Å |
| 189 | M | 94.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 40 Ų | 40 | 5% | 0.054 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 156.7 | 176.7 | 68.2 | 176.9 | -64.2 | 0 | 0 | 110.7 | C191 R192 C201 K203 C246 | M189-C191 PolarHBondContact O-N 2.85Å; M189-R192 HydrophobicContact CE-CG 3.99Å; M189-C201 HydrophobicContact CG-CB 3.87Å; M189-C201 PolarHBondContact N-O 3.36Å; M189-C201 VanDerWaalsContact O-O 3.12Å; M189-K203 HydrophobicContact CB-CD 4.49Å; M189-K203 HydrophobicContact SD-CB 3.68Å; M189-K203 HydrophobicContact SD-CG 4.4Å; M189-C246 HydrophobicContact SD-CB 4.38Å |
| 190 | A | 93.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 40.3 Ų | 40.3 | 50% | 0.496 | 21% | 0.209 | S | C | . | . | trans | -63.1 | 136.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | R192 | A190-R192 PolarHBondContact O-N 3.03Š| ||
| 191 | C | 92.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 26% | 0.264 | 20% | 0.199 | S | C | . | . | trans | -65 | 120.6 | 174.1 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | M189 T195 C201 | M189-C191 PolarHBondContact O-N 2.85Å; C191-T195 HydrophobicContact CB-CG2 3.58Å; C191-C201 WeakPolarHBondContact CA-SG 3.3Å; C191-C201 HydrophobicContact CB-CB 3.99Å; C191-C201 WeakPolarHBondContact CB-SG 3.37Å; C191-C201 WeakPolarHBondContact SG-CB 2.94Å; C191-C201 CovalentContact SG-SG 2.03Å; C191-C201 PolarHBondContact SG-SG 2.91Å | ||
| 192 | R | 90.2 | Very high | 93.3 | Very high | 154 Ų | 154 | 38 Ų | 38 | 58% | 0.581 | 20% | 0.198 | S | C | * | . | trans | -100.8 | 26.9 | -176.2 | -63.6 | -179.8 | -177.5 | 173.7 | -0.2 | 113.3 | M189 A190 L239 | M189-R192 HydrophobicContact CE-CG 3.99Å; A190-R192 PolarHBondContact O-N 3.03Å; R192-L239 HydrophobicContact CB-CD1 4.37Å | ||
| 193 | H | 89.5 | Confident | 93.2 | Very high | 47 Ų | 47 | 40 Ų | 40 | 22% | 0.218 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -145.3 | 170.3 | 176.9 | 63.6 | 91.8 | 0 | 0 | 0 | 109.3 | T195 L239 E248 | H193-T195 VanDerWaalsContact CE1-CG2 3.45Å; H193-T195 WeakPolarHBondContact CE1-CG2 3.38Å; H193-T195 PolarHBondContact O-N 3.3Å; H193-L239 HydrophobicContact CB-CD2 4.05Å; H193-E248 IonicContact CE1-OE1 3.26Å; H193-E248 PolarHBondContact CE1-OE1 3.28Å; H193-E248 IonicContact NE2-OE1 2.77Å |
| 194 | K | 90.8 | Very high | 93 | Very high | 166 Ų | 166 | 38.7 Ų | 38.7 | 72% | 0.722 | 20% | 0.202 | S | C | * | . | trans | -65.2 | 123.8 | 172.5 | -174.7 | 173.3 | -176.1 | 171.9 | 0 | 109.5 | F196 | K194-F196 HydrophobicContact CD-CE2 4.49Å; K194-F196 HydrophobicContact CD-CZ 4.44Å; K194-F196 HydrophobicContact CG-CE2 4.39Å | ||
| 195 | T | 92.7 | Very high | 92.5 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | trans | -115.1 | 162.5 | 178.1 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | C191 H193 P199 | C191-T195 HydrophobicContact CB-CG2 3.58Å; H193-T195 VanDerWaalsContact CE1-CG2 3.45Å; H193-T195 WeakPolarHBondContact CE1-CG2 3.38Å; H193-T195 PolarHBondContact O-N 3.3Å; T195-P199 HydrophobicContact CG2-CG 3.67Å | ||
| 196 | F | 93 | Very high | 91.4 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 28% | 0.281 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -131.1 | 133.8 | 171.7 | -66.2 | -93.3 | 0 | 0 | 0 | 108.7 | K119 S120 L121 G123 K194 D198 | K119-F196 HydrophobicContact CB-CE2 4.42Å; K119-F196 HydrophobicContact CD-CZ 4.29Å; K119-F196 HydrophobicContact CG-CZ 4.43Å; S120-F196 WeakPolarHBondContact O-CD2 3.45Å; L121-F196 HydrophobicContact CD2-CB 3.6Å; L121-F196 HydrophobicContact CD2-CD1 4.27Å; L121-F196 HydrophobicContact CD2-CD2 4.44Å; L121-F196 HydrophobicContact CD2-CG 3.88Å; G123-F196 VanDerWaalsContact CA-O 3.25Å; G123-F196 WeakPolarHBondContact CA-O 3.13Å; G123-F196 PolarHBondContact N-O 3.35Å; K194-F196 HydrophobicContact CD-CE2 4.49Å; K194-F196 HydrophobicContact CD-CZ 4.44Å; K194-F196 HydrophobicContact CG-CE2 4.39Å; F196-D198 VanDerWaalsContact C-N 3.34Å |
| 197 | G | 93.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 77.6 | 13.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y124 | Y124-G197 VanDerWaalsContact CE2-CA 3.44Š|
| 198 | D | 94.5 | Very high | 88.6 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | trans | 48.7 | 65 | 178.2 | -165.2 | 11.8 | 0 | 0 | 0 | 112.5 | F196 R254 | F196-D198 VanDerWaalsContact C-N 3.34Å; D198-R254 VanDerWaalsContact CG-NE 3.32Å; D198-R254 VanDerWaalsContact O-CD 3.29Å; D198-R254 WeakPolarHBondContact O-CD 3.36Å; D198-R254 VanDerWaalsContact O-CZ 3.32Å; D198-R254 PolarHBondContact O-NH1 3.22Å; D198-R254 IonicContact OD1-CZ 3.45Å; D198-R254 IonicContact OD1-NH1 3.58Å; D198-R254 IonicContact OD1-NH2 3.95Å; D198-R254 PolarHBondContact OD1-NH2 3.3Å; D198-R254 IonicContact OD2-CZ 2.94Å; D198-R254 IonicContact OD2-NE 2.84Å; D198-R254 PolarHBondContact OD2-NE 2.85Å; D198-R254 IonicContact OD2-NH1 2.74Å; D198-R254 IonicContact OD2-NH2 3.75Å; D198-R254 PolarHBondContact OD2-NH2 3.23Å | ||
| 199 | P | 96.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 163 | 176.2 | 30.5 | -35.3 | 0 | 0 | 0 | 111.3 | T195 E248 Y249 | T195-P199 HydrophobicContact CG2-CG 3.67Å; P199-E248 HydrophobicContact CB-CB 4.09Å; P199-E248 HydrophobicContact CB-CG 4.33Å; P199-E248 HydrophobicContact CG-CB 4.48Å; P199-E248 HydrophobicContact CG-CG 4.18Å; P199-E248 WeakPolarHBondContact CG-OE2 3.35Å; P199-Y249 CarbonylContact C-O 3.29Å; P199-Y249 WeakPolarHBondContact CA-O 3.49Å; P199-Y249 WeakPolarHBondContact CB-O 3.49Å |
| 200 | I | 97.3 | Very high | 86.9 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.5 | 164.4 | -62.8 | 166.2 | 0 | 0 | 0 | 107.2 | P153 I188 V202 L221 V230 Y249 | P153-I200 HydrophobicContact CG-CD1 4.04Å; P153-I200 HydrophobicContact CG-CG1 4.49Å; P153-I200 HydrophobicContact CG-CG2 4.18Å; I188-I200 HydrophobicContact CD1-CG2 3.64Å; I188-I200 HydrophobicContact CG2-CG2 4.43Å; I200-V202 HydrophobicContact CG2-CG1 4.49Å; I200-L221 HydrophobicContact CG2-CD2 3.79Å; I200-V230 HydrophobicContact CD1-CG1 4.45Å; I200-V230 HydrophobicContact CD1-CG2 3.97Å; I200-V230 VanDerWaalsContact CD1-O 3.3Å; I200-V230 WeakPolarHBondContact CD1-O 3.45Å; I200-Y249 PolarHBondContact N-O 2.65Å; I200-Y249 PolarHBondContact O-N 2.79Å |
| 201 | C | 95.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 137.7 | 176 | -72.1 | 0 | 0 | 0 | 0 | 110.5 | M189 C191 C246 V247 | M189-C201 HydrophobicContact CG-CB 3.87Å; M189-C201 PolarHBondContact N-O 3.36Å; M189-C201 VanDerWaalsContact O-O 3.12Å; C191-C201 WeakPolarHBondContact CA-SG 3.3Å; C191-C201 HydrophobicContact CB-CB 3.99Å; C191-C201 WeakPolarHBondContact CB-SG 3.37Å; C191-C201 WeakPolarHBondContact SG-CB 2.94Å; C191-C201 CovalentContact SG-SG 2.03Å; C191-C201 PolarHBondContact SG-SG 2.91Å; C201-C246 VanDerWaalsContact CB-SG 3.51Å; C201-V247 WeakPolarHBondContact CA-O 3.06Å |
| 202 | V | 94.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.3 | 173.3 | -56 | 0 | 0 | 0 | 0 | 111.3 | A186 T187 I188 I200 L221 C246 V247 Y249 | A186-V202 HydrophobicContact CB-CB 3.85Å; A186-V202 HydrophobicContact CB-CG1 4.21Å; A186-V202 HydrophobicContact CB-CG2 3.99Å; T187-V202 VanDerWaalsContact O-CA 3.31Å; T187-V202 WeakPolarHBondContact O-CA 3.48Å; I188-V202 HydrophobicContact CD1-CG1 3.75Å; I200-V202 HydrophobicContact CG2-CG1 4.49Å; V202-L221 HydrophobicContact CG1-CD1 4.28Å; V202-L221 HydrophobicContact CG1-CD2 3.97Å; V202-C246 WeakPolarHBondContact O-CA 3.34Å; V202-V247 HydrophobicContact CG2-CB 3.91Å; V202-V247 PolarHBondContact N-O 2.84Å; V202-V247 PolarHBondContact O-N 3.12Å; V202-Y249 HydrophobicContact CG1-CD2 4.24Å; V202-Y249 HydrophobicContact CG1-CE2 4.24Å; V202-Y249 HydrophobicContact CG2-CD2 4.03Å; V202-Y249 HydrophobicContact CG2-CE2 3.5Å; V202-Y249 VanDerWaalsContact CG2-CE2 3.5Å |
| 203 | K | 91.2 | Very high | 86.4 | Confident | 50 Ų | 50 | 46 Ų | 46 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 167.2 | 164.6 | 63.7 | -175.6 | -179.6 | -169.8 | 0 | 109.3 | E156 T187 M189 G205 | E156-K203 IonicContact OE1-NZ 3.64Å; E156-K203 PolarHBondContact OE1-NZ 3.39Å; E156-K203 IonicContact OE2-NZ 3.26Å; E156-K203 PolarHBondContact OE2-NZ 3.38Å; T187-K203 HydrophobicContact CG2-CG 4.42Å; T187-K203 PolarHBondContact N-O 2.03Å; T187-K203 VanDerWaalsContact N-O 3.12Å; T187-K203 PolarHBondContact O-N 2.59Å; M189-K203 HydrophobicContact CB-CD 4.49Å; M189-K203 HydrophobicContact SD-CB 3.68Å; M189-K203 HydrophobicContact SD-CG 4.4Å; K203-G205 PolarHBondContact O-N 3.06Å |
| 204 | P | 88.1 | Confident | 86.2 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 13% | 0.13 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 139.7 | 174.7 | -26.5 | 35.3 | 0 | 0 | 0 | 112 | Q210 I211 | P204-Q210 CarbonylContact C-O 3.45Å; P204-Q210 WeakPolarHBondContact CA-O 3.34Å; P204-I211 HydrophobicContact CG-CB 4.33Å; P204-I211 HydrophobicContact CG-CD1 3.92Å |
| 205 | G | 79.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | -65.1 | -170.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S185 K203 N207 S208 Q210 | S185-G205 WeakPolarHBondContact O-CA 3.37Å; K203-G205 PolarHBondContact O-N 3.06Å; G205-N207 PolarHBondContact O-N 3.42Å; G205-S208 WeakPolarHBondContact O-CA 3.5Å; G205-S208 PolarHBondContact O-N 3.03Å; G205-Q210 PolarHBondContact N-O 3Å | ||
| 206 | P | 70.1 | Confident | 86.3 | Confident | 64 Ų | 64 | 37 Ų | 37 | 42% | 0.416 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -47.4 | 138.1 | 177.8 | -28.1 | 35.1 | 0 | 0 | 0 | 112.3 | I158 S208 | I158-P206 HydrophobicContact CD1-CG 3.77Å; I158-P206 HydrophobicContact CG1-CG 4.45Å; P206-S208 PolarHBondContact O-N 3.42Å |
| 207 | N | 65.5 | Low | 86.4 | Confident | 142 Ų | 142 | 34.9 Ų | 34.9 | 76% | 0.759 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | 68.2 | 11.4 | -171.9 | -48.1 | -57 | 0 | 0 | 0 | 115.6 | G205 K209 | G205-N207 PolarHBondContact O-N 3.42Å; N207-K209 HydrophobicContact CB-CG 4.29Å; N207-K209 WeakPolarHBondContact O-CG 3.24Å; N207-K209 PolarHBondContact O-N 3.44Å |
| 208 | S | 62.4 | Low | 86.6 | Confident | 85 Ų | 85 | 34 Ų | 34 | 59% | 0.594 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | 61.1 | 26.3 | 174.8 | -52.2 | 0 | 0 | 0 | 0 | 114.4 | R28 G205 P206 | R28-S208 PolarHBondContact NH1-O 2.93Å; G205-S208 WeakPolarHBondContact O-CA 3.5Å; G205-S208 PolarHBondContact O-N 3.03Å; P206-S208 PolarHBondContact O-N 3.42Å |
| 209 | K | 72.8 | Confident | 86.8 | Confident | 119 Ų | 119 | 30.2 Ų | 30.2 | 52% | 0.517 | 17% | 0.174 | S | C | . | . | trans | -102.9 | -27.8 | -169.2 | -62.7 | -160.4 | -176.7 | 172.9 | 0 | 115.5 | R28 S29 N207 | R28-K209 CarbonylContact C-O 3.56Å; R28-K209 VanDerWaalsContact C-O 3.23Å; R28-K209 WeakPolarHBondContact CB-O 3.45Å; R28-K209 WeakPolarHBondContact CD-O 3.39Å; R28-K209 WeakPolarHBondContact CG-O 3.26Å; R28-K209 CarbonylContact O-C 3.51Å; R28-K209 VanDerWaalsContact O-C 3.29Å; S29-K209 PolarHBondContact OG-O 2.8Å; N207-K209 HydrophobicContact CB-CG 4.29Å; N207-K209 WeakPolarHBondContact O-CG 3.24Å; N207-K209 PolarHBondContact O-N 3.44Å | ||
| 210 | Q | 82.1 | Confident | 86.9 | Confident | 32 Ų | 32 | 30 Ų | 30 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | trans | -121.2 | 125.7 | -166.1 | -49.2 | 175.2 | -35.6 | 0 | 0 | 112.3 | I27 R28 S29 M161 S185 P204 G205 | I27-Q210 HydrophobicContact CG2-CB 4.49Å; R28-Q210 WeakPolarHBondContact O-CA 3.19Å; R28-Q210 WeakPolarHBondContact O-CB 3.34Å; R28-Q210 WeakPolarHBondContact O-CG 3.48Å; S29-Q210 PolarHBondContact O-NE2 3.16Å; M161-Q210 HydrophobicContact CE-CB 3.78Å; S185-Q210 WeakPolarHBondContact O-CB 3.42Å; S185-Q210 PolarHBondContact O-OE1 3.26Å; S185-Q210 PolarHBondContact OG-OE1 2.67Å; S185-Q210 VanDerWaalsContact OG-OE1 3.12Å; P204-Q210 CarbonylContact C-O 3.45Å; P204-Q210 WeakPolarHBondContact CA-O 3.34Å; G205-Q210 PolarHBondContact N-O 3Å | ||
| 211 | I | 86.7 | Confident | 86.9 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | trans | -138 | -162.7 | 176.2 | -168.6 | 143.2 | 0 | 0 | 0 | 109.5 | L26 I27 R28 M161 P204 L245 V247 | L26-I211 CarbonylContact C-O 3.51Å; L26-I211 VanDerWaalsContact C-O 3.28Å; L26-I211 CarbonylContact O-C 3.51Å; L26-I211 WeakPolarHBondContact O-CG2 3.47Å; I27-I211 WeakPolarHBondContact CA-O 3.31Å; I27-I211 PolarHBondContact N-O 2.72Å; R28-I211 HydrophobicContact CB-CG2 4.32Å; M161-I211 VanDerWaalsContact CE-O 3.3Å; M161-I211 WeakPolarHBondContact CE-O 3.4Å; P204-I211 HydrophobicContact CG-CB 4.33Å; P204-I211 HydrophobicContact CG-CD1 3.92Å; I211-L245 HydrophobicContact CD1-CB 4.25Å; I211-L245 HydrophobicContact CD1-CD2 4.09Å; I211-L245 HydrophobicContact CD1-CG 4.13Å; I211-L245 WeakPolarHBondContact CD1-O 2.93Å; I211-L245 HydrophobicContact CG2-CD2 4.21Å; I211-V247 HydrophobicContact CD1-CG2 3.83Å; I211-V247 HydrophobicContact CG1-CB 4.26Å; I211-V247 HydrophobicContact CG1-CG2 3.46Å; I211-V247 VanDerWaalsContact CG1-CG2 3.46Å | ||
| 212 | A | 90.4 | Very high | 87 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | trans | -113.2 | 162.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L26 M161 D216 V247 Y249 | L26-A212 PolarHBondContact N-O 2.77Å; L26-A212 CarbonylContact O-C 3.23Å; L26-A212 VanDerWaalsContact O-C 3.26Å; L26-A212 WeakPolarHBondContact O-CA 3.4Å; L26-A212 PolarHBondContact O-N 2.88Å; M161-A212 HydrophobicContact SD-CB 4.39Å; A212-D216 HydrophobicContact CB-CB 4.12Å; A212-V247 HydrophobicContact CB-CG1 4.26Å; A212-V247 HydrophobicContact CB-CG2 4.47Å; A212-Y249 WeakPolarHBondContact CB-OH 3.48Å | ||
| 213 | G | 87.4 | Confident | 87.1 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | trans | -143.9 | -170.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 119 | G215 D216 | G213-G215 PolarHBondContact O-N 2.65Å; G213-D216 PolarHBondContact N-OD2 2.94Å; G213-D216 VanDerWaalsContact O-CB 3.31Å; G213-D216 WeakPolarHBondContact O-CB 3.43Å; G213-D216 PolarHBondContact O-N 2.86Å | ||
| 214 | P | 87.1 | Confident | 87.3 | Confident | 52 Ų | 52 | 32.7 Ų | 32.7 | 34% | 0.338 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 126.2 | -174 | -7.8 | 30.9 | 0 | 0 | 0 | 107.5 | W25 G165 Q166 | W25-P214 HydrophobicContact CB-CG 4.1Å; W25-P214 HydrophobicContact CG-CG 4.49Å; W25-P214 WeakPolarHBondContact O-CD 3.01Å; G165-P214 CarbonylContact C-O 3.08Å; G165-P214 WeakPolarHBondContact CA-O 3.46Å; Q166-P214 PolarHBondContact N-O 3.32Å |
| 215 | G | 89 | Confident | 87.5 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100 | -24 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C52 T53 G213 S217 | C52-G215 CarbonylContact C-O 3.6Å; T53-G215 PolarHBondContact N-O 3.39Å; T53-G215 PolarHBondContact OG1-O 3.42Å; G213-G215 PolarHBondContact O-N 2.65Å; G215-S217 PolarHBondContact O-N 2.72Å |
| 216 | D | 94.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -14.8 | 168 | -60.8 | -44.6 | 0 | 0 | 0 | 111.8 | I27 G163 Y164 G165 A212 G213 G218 G219 A233 | I27-D216 PolarHBondContact N-OD2 2.87Å; I27-D216 VanDerWaalsContact N-OD2 3.07Å; G163-D216 VanDerWaalsContact C-OD1 3.24Å; G163-D216 WeakPolarHBondContact CA-OD1 3.3Å; Y164-D216 PolarHBondContact N-OD1 2.88Å; G165-D216 WeakPolarHBondContact CA-OD1 3.42Å; G165-D216 PolarHBondContact N-OD1 2.91Å; A212-D216 HydrophobicContact CB-CB 4.12Å; G213-D216 PolarHBondContact N-OD2 2.94Å; G213-D216 VanDerWaalsContact O-CB 3.31Å; G213-D216 WeakPolarHBondContact O-CB 3.43Å; G213-D216 PolarHBondContact O-N 2.86Å; D216-G218 PolarHBondContact O-N 2.91Å; D216-G219 VanDerWaalsContact O-CA 3.32Å; D216-G219 WeakPolarHBondContact O-CA 3.45Å; D216-G219 PolarHBondContact O-N 3.02Å; D216-A233 WeakPolarHBondContact O-CB 3.37Å |
| 217 | S | 96.1 | Very high | 89.4 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | 128.5 | 172.3 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | C52 T53 H67 G215 G219 | C52-S217 WeakPolarHBondContact CB-O 3.42Å; T53-S217 PolarHBondContact N-O 3.31Å; T53-S217 VanDerWaalsContact O-O 3.12Å; H67-S217 VanDerWaalsContact CE1-CB 3.42Å; H67-S217 WeakPolarHBondContact CE1-CB 3.32Å; H67-S217 PolarHBondContact CE1-OG 3.26Å; H67-S217 VanDerWaalsContact CE1-OG 3.25Å; H67-S217 WeakPolarHBondContact NE2-CB 3.17Å; H67-S217 PolarHBondContact NE2-OG 2.82Å; G215-S217 PolarHBondContact O-N 2.72Å; S217-G219 PolarHBondContact O-N 2.96Å |
| 218 | G | 98.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -8.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T53 T64 A65 D216 A233 | T53-G218 CarbonylContact O-C 3.54Å; T53-G218 VanDerWaalsContact O-CA 3.23Å; T53-G218 WeakPolarHBondContact O-CA 3.3Å; T64-G218 WeakPolarHBondContact OG1-CA 3.3Å; A65-G218 VanDerWaalsContact N-CA 3.34Å; D216-G218 PolarHBondContact O-N 2.91Å; G218-A233 PolarHBondContact N-O 3.48Å |
| 219 | G | 98 | Very high | 92.7 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 152.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T53 D216 S217 A233 | T53-G219 VanDerWaalsContact CG2-CA 3.47Å; D216-G219 VanDerWaalsContact O-CA 3.32Å; D216-G219 WeakPolarHBondContact O-CA 3.45Å; D216-G219 PolarHBondContact O-N 3.02Å; S217-G219 PolarHBondContact O-N 2.96Å; G219-A233 PolarHBondContact O-N 2.88Å |
| 220 | P | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 146.6 | -173.5 | 31.6 | -35.4 | 0 | 0 | 0 | 112.7 | F41 I42 S55 M161 V162 L222 I229 G231 | F41-P220 HydrophobicContact CE2-CG 4.37Å; I42-P220 HydrophobicContact CD1-CG 3.45Å; I42-P220 VanDerWaalsContact CD1-CG 3.45Å; S55-P220 WeakPolarHBondContact OG-CB 3.02Å; S55-P220 WeakPolarHBondContact OG-CD 3.03Å; S55-P220 WeakPolarHBondContact OG-CG 3.44Å; M161-P220 WeakPolarHBondContact CA-O 3.38Å; V162-P220 HydrophobicContact CG1-CG 3.62Å; P220-L222 HydrophobicContact CB-CD2 3.58Å; P220-L222 HydrophobicContact CB-CG 4.05Å; P220-L222 HydrophobicContact CG-CD1 4.48Å; P220-L222 HydrophobicContact CG-CD2 4.03Å; P220-L222 HydrophobicContact CG-CG 4.24Å; P220-I229 HydrophobicContact CB-CB 4.39Å; P220-I229 HydrophobicContact CB-CD1 3.55Å; P220-I229 HydrophobicContact CB-CG1 3.62Å; P220-G231 CarbonylContact C-O 3.58Å; P220-G231 WeakPolarHBondContact CA-O 3.49Å |
| 221 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.9 | 152.1 | -165.2 | 66.2 | 0 | 0 | 0 | 107.7 | A159 Y160 I188 I200 V202 V230 G231 Y249 | A159-L221 HydrophobicContact CB-CD1 3.57Å; A159-L221 HydrophobicContact CB-CD2 4.26Å; A159-L221 HydrophobicContact CB-CG 3.76Å; Y160-L221 CarbonylContact O-C 3.59Å; Y160-L221 WeakPolarHBondContact O-CA 3.12Å; I188-L221 HydrophobicContact CD1-CD2 3.84Å; I200-L221 HydrophobicContact CG2-CD2 3.79Å; V202-L221 HydrophobicContact CG1-CD1 4.28Å; V202-L221 HydrophobicContact CG1-CD2 3.97Å; L221-V230 HydrophobicContact CB-CG1 4.15Å; L221-V230 HydrophobicContact CD2-CG1 4.14Å; L221-V230 HydrophobicContact CG-CG1 4.04Å; L221-V230 WeakPolarHBondContact O-CG1 3.41Å; L221-V230 PolarHBondContact O-N 2.99Å; L221-G231 PolarHBondContact N-O 2.95Å; L221-G231 PolarHBondContact O-N 3.18Å; L221-Y249 HydrophobicContact CB-CD1 3.51Å; L221-Y249 HydrophobicContact CB-CE1 3.66Å; L221-Y249 HydrophobicContact CB-CG 4.16Å; L221-Y249 HydrophobicContact CD1-CE1 4.11Å; L221-Y249 HydrophobicContact CD1-CE2 4.38Å; L221-Y249 HydrophobicContact CD2-CD1 4.24Å; L221-Y249 HydrophobicContact CD2-CD2 4.26Å; L221-Y249 HydrophobicContact CD2-CG 4.03Å; L221-Y249 HydrophobicContact CG-CD1 4.31Å; L221-Y249 HydrophobicContact CG-CE1 4.35Å |
| 222 | L | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.8 | -172.1 | -49.5 | 169.8 | 0 | 0 | 0 | 110.8 | F39 F41 I144 A159 Y160 V162 P220 T224 I229 | F39-L222 HydrophobicContact CE1-CD1 4.38Å; F41-L222 HydrophobicContact CE2-CD1 4.19Å; F41-L222 HydrophobicContact CE2-CD2 4.45Å; F41-L222 HydrophobicContact CZ-CD1 3.97Å; I144-L222 HydrophobicContact CD1-CD2 3.39Å; A159-L222 WeakPolarHBondContact CA-O 3.08Å; Y160-L222 PolarHBondContact N-O 3.41Å; Y160-L222 PolarHBondContact O-N 3.12Å; V162-L222 HydrophobicContact CG1-CD1 4.26Å; P220-L222 HydrophobicContact CB-CD2 3.58Å; P220-L222 HydrophobicContact CB-CG 4.05Å; P220-L222 HydrophobicContact CG-CD1 4.48Å; P220-L222 HydrophobicContact CG-CD2 4.03Å; P220-L222 HydrophobicContact CG-CG 4.24Å; L222-T224 WeakPolarHBondContact CB-O 3.41Å; L222-I229 HydrophobicContact CD2-CB 4.13Å; L222-I229 HydrophobicContact CD2-CG1 4.47Å |
| 223 | L | 95.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 20 Ų | 20 | 27% | 0.272 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -70.4 | -35.5 | 172.6 | -67.8 | -175.8 | 0 | 0 | 0 | 112.4 | D151 P153 P228 V230 | D151-L223 HydrophobicContact CB-CD1 3.9Å; P153-L223 HydrophobicContact CB-CD2 4.1Å; L223-P228 HydrophobicContact CD1-CG 4Å; L223-P228 HydrophobicContact CG-CG 4.47Å; L223-P228 PolarHBondContact N-O 3.19Å; L223-V230 HydrophobicContact CD2-CB 4.28Å; L223-V230 HydrophobicContact CD2-CG1 4.11Å; L223-V230 HydrophobicContact CD2-CG2 4.32Å; L223-V230 HydrophobicContact CG-CB 4.21Å; L223-V230 HydrophobicContact CG-CG1 4.38Å |
| 224 | T | 95.3 | Very high | 96 | Very high | 63 Ų | 63 | 20 Ų | 20 | 39% | 0.387 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -132.7 | 163.1 | 170.1 | 78.9 | 0 | 0 | 0 | 0 | 108.8 | L222 Q226 G227 | L222-T224 WeakPolarHBondContact CB-O 3.41Å; T224-Q226 PolarHBondContact O-N 2.95Å; T224-Q226 PolarHBondContact OG1-N 3.41Å; T224-G227 WeakPolarHBondContact CB-O 3.34Å; T224-G227 PolarHBondContact N-O 2.03Å; T224-G227 PolarHBondContact O-N 2.79Å; T224-G227 PolarHBondContact OG1-N 3.46Å; T224-G227 PolarHBondContact OG1-O 3.37Å |
| 225 | P | 93.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 19.6 Ų | 19.6 | 24% | 0.24 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -21.4 | 176.8 | -25.2 | 35.3 | 0 | 0 | 0 | 114.4 | F39 Y160 | F39-P225 HydrophobicContact CE1-CB 4.26Å; F39-P225 WeakPolarHBondContact CE1-O 3.44Å; F39-P225 HydrophobicContact CZ-CB 4.43Å; Y160-P225 HydrophobicContact CD1-CG 3.82Å; Y160-P225 HydrophobicContact CD2-CG 4.3Å; Y160-P225 HydrophobicContact CE1-CG 3.85Å; Y160-P225 HydrophobicContact CE2-CG 4.36Å; Y160-P225 HydrophobicContact CG-CG 4.04Å |
| 226 | Q | 94.7 | Very high | 96.3 | Very high | 136 Ų | 136 | 20.8 Ų | 20.8 | 64% | 0.636 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | 2.4 | 177.5 | -68.7 | 70.6 | 43 | 0 | 0 | 113.7 | T224 | T224-Q226 PolarHBondContact O-N 2.95Å; T224-Q226 PolarHBondContact OG1-N 3.41Å |
| 227 | G | 94.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 21.8 Ų | 21.8 | 6% | 0.062 | 13% | 0.131 | C | C | . | . | trans | 105.6 | -168.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T224 | T224-G227 WeakPolarHBondContact CB-O 3.34Å; T224-G227 PolarHBondContact N-O 2.03Å; T224-G227 PolarHBondContact O-N 2.79Å; T224-G227 PolarHBondContact OG1-N 3.46Å; T224-G227 PolarHBondContact OG1-O 3.37Å | ||
| 228 | P | 98.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 26 Ų | 26 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | cis | -66.2 | 164.7 | -6 | 30 | -37.1 | 0 | 0 | 0 | 113.1 | S145 A147 L223 V230 | S145-P228 CarbonylContact O-C 3.54Å; S145-P228 VanDerWaalsContact O-CA 3.3Å; S145-P228 WeakPolarHBondContact O-CA 3.37Å; S145-P228 WeakPolarHBondContact O-CB 3.33Å; A147-P228 HydrophobicContact CB-CB 4.17Å; A147-P228 HydrophobicContact CB-CG 4.09Å; L223-P228 HydrophobicContact CD1-CG 4Å; L223-P228 HydrophobicContact CG-CG 4.47Å; L223-P228 PolarHBondContact N-O 3.19Å; P228-V230 PolarHBondContact O-N 2.81Å | ||
| 229 | I | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 121.4 | 168.8 | -172.9 | -178.5 | 0 | 0 | 0 | 110.1 | L63 I144 S145 L146 A147 P220 L222 G231 V232 V252 | L63-I229 HydrophobicContact CD2-CD1 3.88Å; L63-I229 HydrophobicContact CD2-CG2 4.41Å; I144-I229 HydrophobicContact CG2-CG2 4.27Å; S145-I229 PolarHBondContact O-N 3.49Å; L146-I229 HydrophobicContact CD2-CG2 3.67Å; A147-I229 WeakPolarHBondContact CB-O 3.47Å; A147-I229 PolarHBondContact N-O 3.19Å; P220-I229 HydrophobicContact CB-CB 4.39Å; P220-I229 HydrophobicContact CB-CD1 3.55Å; P220-I229 HydrophobicContact CB-CG1 3.62Å; L222-I229 HydrophobicContact CD2-CB 4.13Å; L222-I229 HydrophobicContact CD2-CG1 4.47Å; I229-G231 WeakPolarHBondContact CG1-O 3.45Å; I229-V232 HydrophobicContact CD1-CG2 4.05Å; I229-V252 HydrophobicContact CD1-CG2 4.24Å; I229-V252 HydrophobicContact CG1-CG2 4.09Å; I229-V252 HydrophobicContact CG2-CG1 4.43Å; I229-V252 HydrophobicContact CG2-CG2 4.34Å; I229-V252 WeakPolarHBondContact O-CG1 3.28Å |
| 230 | V | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -23.3 | -178.5 | 73.8 | 0 | 0 | 0 | 0 | 113 | A147 D151 P153 I200 L221 L223 P228 V252 P253 | A147-V230 HydrophobicContact CB-CB 3.97Å; A147-V230 HydrophobicContact CB-CG2 3.96Å; D151-V230 WeakPolarHBondContact O-CG2 3.13Å; P153-V230 HydrophobicContact CG-CG2 4.15Å; I200-V230 HydrophobicContact CD1-CG1 4.45Å; I200-V230 HydrophobicContact CD1-CG2 3.97Å; I200-V230 VanDerWaalsContact CD1-O 3.3Å; I200-V230 WeakPolarHBondContact CD1-O 3.45Å; L221-V230 HydrophobicContact CB-CG1 4.15Å; L221-V230 HydrophobicContact CD2-CG1 4.14Å; L221-V230 HydrophobicContact CG-CG1 4.04Å; L221-V230 WeakPolarHBondContact O-CG1 3.41Å; L221-V230 PolarHBondContact O-N 2.99Å; L223-V230 HydrophobicContact CD2-CB 4.28Å; L223-V230 HydrophobicContact CD2-CG1 4.11Å; L223-V230 HydrophobicContact CD2-CG2 4.32Å; L223-V230 HydrophobicContact CG-CB 4.21Å; L223-V230 HydrophobicContact CG-CG1 4.38Å; P228-V230 PolarHBondContact O-N 2.81Å; V230-V252 PolarHBondContact O-N 2.99Å; V230-P253 HydrophobicContact CG2-CG 4.12Å; V230-P253 VanDerWaalsContact O-CD 3.3Å; V230-P253 WeakPolarHBondContact O-CD 3.39Å |
| 231 | G | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 162.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P220 L221 I229 S250 | P220-G231 CarbonylContact C-O 3.58Å; P220-G231 WeakPolarHBondContact CA-O 3.49Å; L221-G231 PolarHBondContact N-O 2.95Å; L221-G231 PolarHBondContact O-N 3.18Å; I229-G231 WeakPolarHBondContact CG1-O 3.45Å; G231-S250 CarbonylContact C-O 3.59Å; G231-S250 WeakPolarHBondContact CA-O 3.11Å |
| 232 | V | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.7 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | L63 T64 A65 M126 I229 S234 Y249 S250 V252 | L63-V232 HydrophobicContact CD1-CG2 4.23Å; L63-V232 HydrophobicContact CD2-CG2 3.94Å; L63-V232 HydrophobicContact CG-CG2 3.84Å; T64-V232 VanDerWaalsContact C-CG1 3.5Å; A65-V232 HydrophobicContact CB-CG1 4.19Å; M126-V232 HydrophobicContact CE-CG2 4.26Å; I229-V232 HydrophobicContact CD1-CG2 4.05Å; V232-S234 PolarHBondContact O-N 3.14Å; V232-Y249 VanDerWaalsContact C-CD1 3.4Å; V232-Y249 CarbonylContact O-C 3.57Å; V232-Y249 WeakPolarHBondContact O-CA 3.36Å; V232-S250 PolarHBondContact N-O 2.92Å; V232-S250 PolarHBondContact O-N 3.18Å; V232-V252 HydrophobicContact CG2-CG2 4.03Å |
| 233 | A | 97.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.033 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 120.9 | -175 | 0 | 0 | 0 | 0 | 0 | 111 | D216 G218 G219 Y249 | D216-A233 WeakPolarHBondContact O-CB 3.37Å; G218-A233 PolarHBondContact N-O 3.48Å; G219-A233 PolarHBondContact O-N 2.88Å; A233-Y249 HydrophobicContact CB-CD1 3.98Å; A233-Y249 HydrophobicContact CB-CE1 3.54Å |
| 234 | S | 96.2 | Very high | 90.3 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -85.5 | -175.8 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | H67 G122 D125 V232 E248 | H67-S234 PolarHBondContact CE1-O 3.14Å; G122-S234 WeakPolarHBondContact CA-OG 3.44Å; D125-S234 WeakPolarHBondContact CB-OG 3.28Å; D125-S234 VanDerWaalsContact CG-OG 3.31Å; D125-S234 WeakPolarHBondContact OD2-CB 3.45Å; D125-S234 PolarHBondContact OD2-OG 3.03Å; V232-S234 PolarHBondContact O-N 3.14Å; S234-E248 WeakPolarHBondContact CB-O 3.4Å; S234-E248 PolarHBondContact N-O 2.93Å |
| 235 | N | 91.6 | Very high | 89.7 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.6 | -172.5 | 66.8 | -79.7 | 0 | 0 | 0 | 112.4 | S120 V237 E248 | S120-N235 PolarHBondContact OG-ND2 3.2Å; S120-N235 PolarHBondContact OG-OD1 3.2Å; N235-V237 VanDerWaalsContact ND2-CG2 3.35Å; N235-V237 WeakPolarHBondContact ND2-CG2 3.36Å; N235-E248 PolarHBondContact N-O 3.26Å; N235-E248 PolarHBondContact ND2-OE1 2.61Å; N235-E248 VanDerWaalsContact ND2-OE1 3.16Å; N235-E248 PolarHBondContact O-N 3.07Å |
| 236 | G | 90.2 | Very high | 89.5 | Confident | 32 Ų | 32 | 41.1 Ų | 41.1 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 143.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W25 C246 | W25-G236 VanDerWaalsContact CH2-C 3.47Å; G236-C246 CarbonylContact C-O 3.5Å |
| 237 | V | 87.3 | Confident | 89.5 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 116.4 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 109 | N235 L239 C246 E248 | N235-V237 VanDerWaalsContact ND2-CG2 3.35Å; N235-V237 WeakPolarHBondContact ND2-CG2 3.36Å; V237-L239 HydrophobicContact CG1-CD2 3.91Å; V237-C246 PolarHBondContact N-O 3.15Å; V237-C246 PolarHBondContact O-N 3.15Å; V237-E248 HydrophobicContact CG2-CG 4.01Å; V237-E248 WeakPolarHBondContact CG2-OE1 3.5Å |
| 238 | F | 84.9 | Confident | 89.5 | Confident | 109 Ų | 109 | 34.6 Ų | 34.6 | 48% | 0.478 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 132.8 | 168.3 | -176.9 | -110.4 | 0 | 0 | 0 | 109.4 | P240 | F238-P240 HydrophobicContact CD1-CG 3.96Å; F238-P240 HydrophobicContact CE1-CB 4.14Å; F238-P240 HydrophobicContact CE1-CG 4.05Å; F238-P240 WeakPolarHBondContact O-CD 3.43Å |
| 239 | L | 83.6 | Confident | 89.5 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 94 | 179.8 | -59.7 | 179.4 | 0 | 0 | 0 | 109 | R192 H193 V237 A241 L242 A243 D244 C246 | R192-L239 HydrophobicContact CB-CD1 4.37Å; H193-L239 HydrophobicContact CB-CD2 4.05Å; V237-L239 HydrophobicContact CG1-CD2 3.91Å; L239-A241 VanDerWaalsContact C-N 3.28Å; L239-A241 PolarHBondContact O-N 3.42Å; L239-L242 HydrophobicContact CB-CB 4.32Å; L239-L242 HydrophobicContact CB-CD1 4.35Å; L239-L242 HydrophobicContact CD1-CD1 3.93Å; L239-L242 PolarHBondContact O-N 2.85Å; L239-A243 PolarHBondContact O-N 2.74Å; L239-D244 PolarHBondContact N-O 3.31Å; L239-D244 PolarHBondContact O-N 2.71Å; L239-C246 HydrophobicContact CD1-CB 3.89Å; L239-C246 HydrophobicContact CG-CB 4.27Å |
| 240 | P | 80.4 | Confident | 89.5 | Confident | 103 Ų | 103 | 33.4 Ų | 33.4 | 67% | 0.669 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -57.9 | -38.3 | -172.1 | -25.4 | 33.7 | 0 | 0 | 0 | 113.7 | F238 L242 A243 | F238-P240 HydrophobicContact CD1-CG 3.96Å; F238-P240 HydrophobicContact CE1-CB 4.14Å; F238-P240 HydrophobicContact CE1-CG 4.05Å; F238-P240 WeakPolarHBondContact O-CD 3.43Å; P240-L242 PolarHBondContact O-N 2.89Å; P240-A243 PolarHBondContact O-N 2.8Å |
| 241 | A | 80.7 | Confident | 89.5 | Confident | 101 Ų | 101 | 33.4 Ų | 33.4 | 84% | 0.835 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -65.6 | -17.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L239 | L239-A241 VanDerWaalsContact C-N 3.28Å; L239-A241 PolarHBondContact O-N 3.42Å |
| 242 | L | 76.9 | Confident | 89.5 | Confident | 78 Ų | 78 | 33.4 Ų | 33.4 | 41% | 0.408 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -112 | -7.1 | 179.5 | -59.5 | 176.6 | 0 | 0 | 0 | 112.4 | L239 P240 D244 | L239-L242 HydrophobicContact CB-CB 4.32Å; L239-L242 HydrophobicContact CB-CD1 4.35Å; L239-L242 HydrophobicContact CD1-CD1 3.93Å; L239-L242 PolarHBondContact O-N 2.85Å; P240-L242 PolarHBondContact O-N 2.89Å; L242-D244 HydrophobicContact CB-CB 3.73Å; L242-D244 PolarHBondContact O-N 2.9Å; L242-D244 VanDerWaalsContact O-N 3.15Å |
| 243 | A | 77.8 | Confident | 89.5 | Confident | 81 Ų | 81 | 33.5 Ų | 33.5 | 67% | 0.669 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 35.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L239 P240 | L239-A243 PolarHBondContact O-N 2.74Å; P240-A243 PolarHBondContact O-N 2.8Å |
| 244 | D | 80 | Confident | 89.5 | Confident | 58 Ų | 58 | 37.4 Ų | 37.4 | 31% | 0.31 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 162.4 | -168.6 | -159.7 | 8.4 | 0 | 0 | 0 | 111.6 | L239 L242 | L239-D244 PolarHBondContact N-O 3.31Å; L239-D244 PolarHBondContact O-N 2.71Å; L242-D244 HydrophobicContact CB-CB 3.73Å; L242-D244 PolarHBondContact O-N 2.9Å; L242-D244 VanDerWaalsContact O-N 3.15Å |
| 245 | L | 82.3 | Confident | 89.6 | Confident | 37 Ų | 37 | 37.5 Ų | 37.5 | 19% | 0.194 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.7 | -175.7 | -162.5 | 66 | 0 | 0 | 0 | 110.6 | W25 I211 | W25-L245 HydrophobicContact CD2-CD2 4.37Å; W25-L245 HydrophobicContact CE3-CD1 4.07Å; W25-L245 HydrophobicContact CE3-CD2 3.58Å; W25-L245 HydrophobicContact CE3-CG 4.06Å; W25-L245 HydrophobicContact CH2-CD1 2.99Å; W25-L245 HydrophobicContact CH2-CD2 4.13Å; W25-L245 HydrophobicContact CH2-CG 3.8Å; W25-L245 HydrophobicContact CZ2-CD1 3.82Å; W25-L245 HydrophobicContact CZ3-CD1 3.14Å; W25-L245 HydrophobicContact CZ3-CD2 3.41Å; W25-L245 VanDerWaalsContact CZ3-CD2 3.41Å; W25-L245 HydrophobicContact CZ3-CG 3.34Å; I211-L245 HydrophobicContact CD1-CB 4.25Å; I211-L245 HydrophobicContact CD1-CD2 4.09Å; I211-L245 HydrophobicContact CD1-CG 4.13Å; I211-L245 WeakPolarHBondContact CD1-O 2.93Å; I211-L245 HydrophobicContact CG2-CD2 4.21Å |
| 246 | C | 89.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 148.3 | 169.3 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | M189 C201 V202 G236 V237 L239 | M189-C246 HydrophobicContact SD-CB 4.38Å; C201-C246 VanDerWaalsContact CB-SG 3.51Å; V202-C246 WeakPolarHBondContact O-CA 3.34Å; G236-C246 CarbonylContact C-O 3.5Å; V237-C246 PolarHBondContact N-O 3.15Å; V237-C246 PolarHBondContact O-N 3.15Å; L239-C246 HydrophobicContact CD1-CB 3.89Å; L239-C246 HydrophobicContact CG-CB 4.27Å |
| 247 | V | 93.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.9 | 165.4 | 173.2 | 0 | 0 | 0 | 0 | 109.1 | W25 C201 V202 I211 A212 Y249 | W25-V247 HydrophobicContact CE3-CG2 4.46Å; W25-V247 HydrophobicContact CZ3-CG2 4.24Å; C201-V247 WeakPolarHBondContact CA-O 3.06Å; V202-V247 HydrophobicContact CG2-CB 3.91Å; V202-V247 PolarHBondContact N-O 2.84Å; V202-V247 PolarHBondContact O-N 3.12Å; I211-V247 HydrophobicContact CD1-CG2 3.83Å; I211-V247 HydrophobicContact CG1-CB 4.26Å; I211-V247 HydrophobicContact CG1-CG2 3.46Å; I211-V247 VanDerWaalsContact CG1-CG2 3.46Å; A212-V247 HydrophobicContact CB-CG1 4.26Å; A212-V247 HydrophobicContact CB-CG2 4.47Å; V247-Y249 HydrophobicContact CB-CE2 4.13Å; V247-Y249 HydrophobicContact CG1-CD2 3.9Å; V247-Y249 HydrophobicContact CG1-CE2 3.47Å; V247-Y249 VanDerWaalsContact CG1-CE2 3.47Å |
| 248 | E | 95.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 136.6 | 170.2 | -66 | -178.6 | -130.3 | 0 | 0 | 109.9 | S120 G122 H193 P199 S234 N235 V237 | S120-E248 PolarHBondContact OG-OE1 3.2Å; G122-E248 WeakPolarHBondContact CA-OE2 3.39Å; H193-E248 IonicContact CE1-OE1 3.26Å; H193-E248 PolarHBondContact CE1-OE1 3.28Å; H193-E248 IonicContact NE2-OE1 2.77Å; P199-E248 HydrophobicContact CB-CB 4.09Å; P199-E248 HydrophobicContact CB-CG 4.33Å; P199-E248 HydrophobicContact CG-CB 4.48Å; P199-E248 HydrophobicContact CG-CG 4.18Å; P199-E248 WeakPolarHBondContact CG-OE2 3.35Å; S234-E248 WeakPolarHBondContact CB-O 3.4Å; S234-E248 PolarHBondContact N-O 2.93Å; N235-E248 PolarHBondContact N-O 3.26Å; N235-E248 PolarHBondContact ND2-OE1 2.61Å; N235-E248 VanDerWaalsContact ND2-OE1 3.16Å; N235-E248 PolarHBondContact O-N 3.07Å; V237-E248 HydrophobicContact CG2-CG 4.01Å; V237-E248 WeakPolarHBondContact CG2-OE1 3.5Å |
| 249 | Y | 97.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.3 | 167.3 | -73.4 | -107.3 | 0 | 0 | 0 | 108.9 | P199 I200 V202 A212 L221 V232 A233 V247 S251 | P199-Y249 CarbonylContact C-O 3.29Å; P199-Y249 WeakPolarHBondContact CA-O 3.49Å; P199-Y249 WeakPolarHBondContact CB-O 3.49Å; I200-Y249 PolarHBondContact N-O 2.65Å; I200-Y249 PolarHBondContact O-N 2.79Å; V202-Y249 HydrophobicContact CG1-CD2 4.24Å; V202-Y249 HydrophobicContact CG1-CE2 4.24Å; V202-Y249 HydrophobicContact CG2-CD2 4.03Å; V202-Y249 HydrophobicContact CG2-CE2 3.5Å; V202-Y249 VanDerWaalsContact CG2-CE2 3.5Å; A212-Y249 WeakPolarHBondContact CB-OH 3.48Å; L221-Y249 HydrophobicContact CB-CD1 3.51Å; L221-Y249 HydrophobicContact CB-CE1 3.66Å; L221-Y249 HydrophobicContact CB-CG 4.16Å; L221-Y249 HydrophobicContact CD1-CE1 4.11Å; L221-Y249 HydrophobicContact CD1-CE2 4.38Å; L221-Y249 HydrophobicContact CD2-CD1 4.24Å; L221-Y249 HydrophobicContact CD2-CD2 4.26Å; L221-Y249 HydrophobicContact CD2-CG 4.03Å; L221-Y249 HydrophobicContact CG-CD1 4.31Å; L221-Y249 HydrophobicContact CG-CE1 4.35Å; V232-Y249 VanDerWaalsContact C-CD1 3.4Å; V232-Y249 CarbonylContact O-C 3.57Å; V232-Y249 WeakPolarHBondContact O-CA 3.36Å; A233-Y249 HydrophobicContact CB-CD1 3.98Å; A233-Y249 HydrophobicContact CB-CE1 3.54Å; V247-Y249 HydrophobicContact CB-CE2 4.13Å; V247-Y249 HydrophobicContact CG1-CD2 3.9Å; V247-Y249 HydrophobicContact CG1-CE2 3.47Å; V247-Y249 VanDerWaalsContact CG1-CE2 3.47Å; Y249-S251 PolarHBondContact O-N 2.78Å |
| 250 | S | 98 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131.5 | 168.8 | -50.2 | 0 | 0 | 0 | 0 | 108.9 | G122 D125 G231 V232 V252 | G122-S250 WeakPolarHBondContact O-CA 3.3Å; G122-S250 WeakPolarHBondContact O-CB 3.36Å; G122-S250 PolarHBondContact O-N 2.71Å; G122-S250 PolarHBondContact O-OG 3.27Å; D125-S250 VanDerWaalsContact C-OG 3.29Å; D125-S250 WeakPolarHBondContact CA-OG 3.4Å; D125-S250 WeakPolarHBondContact CB-OG 3.46Å; D125-S250 PolarHBondContact N-OG 2.68Å; D125-S250 PolarHBondContact O-OG 2.79Å; G231-S250 CarbonylContact C-O 3.59Å; G231-S250 WeakPolarHBondContact CA-O 3.11Å; V232-S250 PolarHBondContact N-O 2.92Å; V232-S250 PolarHBondContact O-N 3.18Å; S250-V252 PolarHBondContact O-N 3.49Å |
| 251 | S | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 115.4 | -173.8 | 177.3 | 0 | 0 | 0 | 0 | 111 | Y249 R254 M255 | Y249-S251 PolarHBondContact O-N 2.78Å; S251-R254 PolarHBondContact O-N 3.16Å; S251-R254 WeakPolarHBondContact OG-CG 3.08Å; S251-M255 WeakPolarHBondContact O-CB 3.29Å; S251-M255 VanDerWaalsContact O-CG 3.24Å; S251-M255 WeakPolarHBondContact O-CG 3.39Å; S251-M255 PolarHBondContact O-N 3.15Å; S251-M255 VanDerWaalsContact O-N 3.16Å |
| 252 | V | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -49 | 177.3 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | L63 M126 L146 I229 V230 V232 S250 R254 M255 L256 I259 | L63-V252 HydrophobicContact CD2-CG2 3.93Å; M126-V252 HydrophobicContact CE-CG2 4.36Å; L146-V252 HydrophobicContact CB-CG1 4.07Å; L146-V252 HydrophobicContact CD2-CG1 4.02Å; I229-V252 HydrophobicContact CD1-CG2 4.24Å; I229-V252 HydrophobicContact CG1-CG2 4.09Å; I229-V252 HydrophobicContact CG2-CG1 4.43Å; I229-V252 HydrophobicContact CG2-CG2 4.34Å; I229-V252 WeakPolarHBondContact O-CG1 3.28Å; V230-V252 PolarHBondContact O-N 2.99Å; V232-V252 HydrophobicContact CG2-CG2 4.03Å; S250-V252 PolarHBondContact O-N 3.49Å; V252-R254 VanDerWaalsContact C-N 3.25Å; V252-R254 PolarHBondContact O-N 3.46Å; V252-M255 CarbonylContact O-C 3.28Å; V252-M255 PolarHBondContact O-N 3.2Å; V252-L256 HydrophobicContact CG1-CD2 4.36Å; V252-L256 PolarHBondContact O-N 3.02Å; V252-I259 HydrophobicContact CB-CD1 4.38Å; V252-I259 HydrophobicContact CG1-CD1 3.85Å; V252-I259 HydrophobicContact CG2-CD1 4.44Å |
| 253 | P | 98.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -53.1 | -40.3 | 175.9 | -31.4 | 38.2 | 0 | 0 | 0 | 114.1 | A147 T148 I152 V230 M255 L256 | A147-P253 HydrophobicContact CB-CG 3.76Å; T148-P253 VanDerWaalsContact O-CB 3.28Å; T148-P253 WeakPolarHBondContact O-CB 3.28Å; T148-P253 VanDerWaalsContact O-CG 3.28Å; T148-P253 WeakPolarHBondContact O-CG 3.37Å; I152-P253 HydrophobicContact CD1-CB 4.35Å; I152-P253 HydrophobicContact CG1-CB 3.75Å; I152-P253 HydrophobicContact CG1-CG 4.05Å; V230-P253 HydrophobicContact CG2-CG 4.12Å; V230-P253 VanDerWaalsContact O-CD 3.3Å; V230-P253 WeakPolarHBondContact O-CD 3.39Å; P253-M255 VanDerWaalsContact C-N 3.3Å; P253-M255 PolarHBondContact O-N 3.3Å; P253-L256 WeakPolarHBondContact O-CG 3.46Å |
| 254 | R | 97.7 | Very high | 95.6 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 33% | 0.328 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -78 | -15.7 | -178.3 | -62.3 | 176.2 | -179 | 122.9 | -6.6 | 113.2 | I152 D198 S251 V252 | I152-R254 HydrophobicContact CD1-CG 4.33Å; D198-R254 VanDerWaalsContact CG-NE 3.32Å; D198-R254 VanDerWaalsContact O-CD 3.29Å; D198-R254 WeakPolarHBondContact O-CD 3.36Å; D198-R254 VanDerWaalsContact O-CZ 3.32Å; D198-R254 PolarHBondContact O-NH1 3.22Å; D198-R254 IonicContact OD1-CZ 3.45Å; D198-R254 IonicContact OD1-NH1 3.58Å; D198-R254 IonicContact OD1-NH2 3.95Å; D198-R254 PolarHBondContact OD1-NH2 3.3Å; D198-R254 IonicContact OD2-CZ 2.94Å; D198-R254 IonicContact OD2-NE 2.84Å; D198-R254 PolarHBondContact OD2-NE 2.85Å; D198-R254 IonicContact OD2-NH1 2.74Å; D198-R254 IonicContact OD2-NH2 3.75Å; D198-R254 PolarHBondContact OD2-NH2 3.23Å; S251-R254 PolarHBondContact O-N 3.16Å; S251-R254 WeakPolarHBondContact OG-CG 3.08Å; V252-R254 VanDerWaalsContact C-N 3.25Å; V252-R254 PolarHBondContact O-N 3.46Å |
| 255 | M | 97.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.054 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -108.7 | 8.8 | -176.6 | -66.4 | -64.4 | -69.2 | 0 | 0 | 113.4 | A101 Y124 M126 S251 V252 P253 K257 F258 I259 | A101-M255 HydrophobicContact CB-CE 3.52Å; Y124-M255 HydrophobicContact CD1-CE 4.45Å; Y124-M255 HydrophobicContact CD1-SD 3.99Å; M126-M255 HydrophobicContact CB-CE 4.18Å; M126-M255 HydrophobicContact CE-CB 3.45Å; M126-M255 VanDerWaalsContact CE-CB 3.45Å; M126-M255 HydrophobicContact CE-CG 3.58Å; M126-M255 HydrophobicContact SD-CB 3.45Å; M126-M255 WeakPolarHBondContact SD-CB 3Å; M126-M255 HydrophobicContact SD-CE 4.34Å; M126-M255 HydrophobicContact SD-CG 4Å; S251-M255 WeakPolarHBondContact O-CB 3.29Å; S251-M255 VanDerWaalsContact O-CG 3.24Å; S251-M255 WeakPolarHBondContact O-CG 3.39Å; S251-M255 PolarHBondContact O-N 3.15Å; S251-M255 VanDerWaalsContact O-N 3.16Å; V252-M255 CarbonylContact O-C 3.28Å; V252-M255 PolarHBondContact O-N 3.2Å; P253-M255 VanDerWaalsContact C-N 3.3Å; P253-M255 PolarHBondContact O-N 3.3Å; M255-K257 PolarHBondContact O-N 2.95Å; M255-K257 VanDerWaalsContact O-N 3.15Å; M255-F258 HydrophobicContact CE-CB 4.2Å; M255-F258 HydrophobicContact CE-CD1 4.27Å; M255-F258 HydrophobicContact CE-CG 4.43Å; M255-F258 WeakPolarHBondContact O-CA 3.41Å; M255-F258 WeakPolarHBondContact O-CB 3.24Å; M255-F258 PolarHBondContact O-N 2.92Å; M255-I259 HydrophobicContact CB-CD1 4.15Å; M255-I259 HydrophobicContact CB-CG1 4.45Å; M255-I259 WeakPolarHBondContact O-CG1 3.25Å; M255-I259 PolarHBondContact O-N 2.96Å |
| 256 | L | 98.3 | Very high | 97.2 | Very high | 26 Ų | 26 | 35.7 Ų | 35.7 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.9 | -33.7 | -179.1 | -70.1 | 176.4 | 0 | 0 | 0 | 113.6 | L146 E149 V252 P253 F258 I259 L260 | L146-L256 HydrophobicContact CB-CD2 4.27Å; L146-L256 HydrophobicContact CD1-CD2 4.13Å; E149-L256 HydrophobicContact CG-CD1 4.35Å; V252-L256 HydrophobicContact CG1-CD2 4.36Å; V252-L256 PolarHBondContact O-N 3.02Å; P253-L256 WeakPolarHBondContact O-CG 3.46Å; L256-F258 PolarHBondContact O-N 2.92Å; L256-I259 PolarHBondContact O-N 3.22Å; L256-L260 HydrophobicContact CB-CD1 4.16Å; L256-L260 HydrophobicContact CB-CG 4.38Å; L256-L260 HydrophobicContact CD2-CG 4.38Å; L256-L260 WeakPolarHBondContact O-CB 3.45Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-L260 PolarHBondContact O-N 3.28Å |
| 257 | K | 97.8 | Very high | 97.7 | Very high | 192 Ų | 192 | 37.8 Ų | 37.8 | 84% | 0.835 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60.8 | -31.5 | 175.3 | -70.1 | -176.7 | -179.2 | 175.4 | 0 | 113.1 | M255 P261 | M255-K257 PolarHBondContact O-N 2.95Å; M255-K257 VanDerWaalsContact O-N 3.15Å; K257-P261 WeakPolarHBondContact O-CD 3.48Å; K257-P261 WeakPolarHBondContact O-CG 3.47Å |
| 258 | F | 98.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -83.5 | -43.1 | 172 | 166.8 | -106.4 | 0 | 0 | 0 | 111.2 | K99 A101 M126 I128 M255 L256 N262 | K99-F258 HydrophobicContact CB-CE2 4.46Å; K99-F258 HydrophobicContact CB-CZ 4.47Å; A101-F258 HydrophobicContact CB-CD1 4.14Å; A101-F258 HydrophobicContact CB-CD2 4.37Å; A101-F258 HydrophobicContact CB-CE1 4.2Å; A101-F258 HydrophobicContact CB-CE2 4.43Å; A101-F258 HydrophobicContact CB-CG 4.23Å; A101-F258 HydrophobicContact CB-CZ 4.35Å; A101-F258 VanDerWaalsContact N-CZ 3.33Å; M126-F258 HydrophobicContact CB-CD1 4.41Å; M126-F258 HydrophobicContact CB-CE1 4.23Å; M126-F258 HydrophobicContact CG-CD1 4.1Å; M126-F258 HydrophobicContact CG-CE1 3.9Å; M126-F258 HydrophobicContact SD-CD1 3.88Å; M126-F258 HydrophobicContact SD-CE1 4.25Å; I128-F258 HydrophobicContact CG1-CE1 3.99Å; I128-F258 HydrophobicContact CG1-CZ 4.17Å; M255-F258 HydrophobicContact CE-CB 4.2Å; M255-F258 HydrophobicContact CE-CD1 4.27Å; M255-F258 HydrophobicContact CE-CG 4.43Å; M255-F258 WeakPolarHBondContact O-CA 3.41Å; M255-F258 WeakPolarHBondContact O-CB 3.24Å; M255-F258 PolarHBondContact O-N 2.92Å; L256-F258 PolarHBondContact O-N 2.92Å; F258-N262 PolarHBondContact O-ND2 2.77Å |
| 259 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -54.5 | -172.7 | -60.9 | 163.7 | 0 | 0 | 0 | 111.8 | L63 M126 I128 L146 V252 M255 L256 N262 I263 | L63-I259 HydrophobicContact CD1-CD1 4.48Å; L63-I259 HydrophobicContact CD1-CG1 4.35Å; L63-I259 HydrophobicContact CD2-CD1 4.35Å; M126-I259 HydrophobicContact CE-CD1 4.1Å; M126-I259 HydrophobicContact SD-CD1 3.5Å; M126-I259 VanDerWaalsContact SD-CD1 3.5Å; M126-I259 HydrophobicContact SD-CG1 3.39Å; M126-I259 WeakPolarHBondContact SD-CG1 3.15Å; I128-I259 HydrophobicContact CD1-CG2 4.22Å; L146-I259 HydrophobicContact CD1-CG2 3.55Å; L146-I259 HydrophobicContact CD2-CG2 4.35Å; V252-I259 HydrophobicContact CB-CD1 4.38Å; V252-I259 HydrophobicContact CG1-CD1 3.85Å; V252-I259 HydrophobicContact CG2-CD1 4.44Å; M255-I259 HydrophobicContact CB-CD1 4.15Å; M255-I259 HydrophobicContact CB-CG1 4.45Å; M255-I259 WeakPolarHBondContact O-CG1 3.25Å; M255-I259 PolarHBondContact O-N 2.96Å; L256-I259 PolarHBondContact O-N 3.22Å; I259-N262 PolarHBondContact O-N 3.35Å; I259-I263 HydrophobicContact CG2-CG2 3.92Å; I259-I263 PolarHBondContact O-N 2.84Å |
| 260 | L | 98.5 | Very high | 98.1 | Very high | 101 Ų | 101 | 45.4 Ų | 45.4 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -60.5 | -40.7 | -166.2 | -64.3 | 174 | 0 | 0 | 0 | 114.3 | L146 L256 N262 I263 | L146-L260 HydrophobicContact CD1-CD2 3.91Å; L256-L260 HydrophobicContact CB-CD1 4.16Å; L256-L260 HydrophobicContact CB-CG 4.38Å; L256-L260 HydrophobicContact CD2-CG 4.38Å; L256-L260 WeakPolarHBondContact O-CB 3.45Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-L260 PolarHBondContact O-N 3.28Å; L260-N262 PolarHBondContact O-N 3.08Å; L260-I263 HydrophobicContact CD2-CD1 4.37Å |
| 261 | P | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 65% | 0.649 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -72.5 | -5.9 | 177.4 | -18.9 | 34 | 0 | 0 | 0 | 114.6 | K257 | K257-P261 WeakPolarHBondContact O-CD 3.48Å; K257-P261 WeakPolarHBondContact O-CG 3.47Å |
| 262 | N | 98.4 | Very high | 98.1 | Very high | 32 Ų | 32 | 52.9 Ų | 52.9 | 17% | 0.171 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -116.5 | 2.4 | -170.7 | -69.9 | -58.2 | 0 | 0 | 0 | 114.4 | K99 I128 F258 I259 L260 | K99-N262 HydrophobicContact CD-CB 4.3Å; K99-N262 WeakPolarHBondContact CD-OD1 3.33Å; K99-N262 WeakPolarHBondContact CE-OD1 3.47Å; K99-N262 PolarHBondContact NZ-OD1 3.26Å; I128-N262 HydrophobicContact CB-CB 4.4Å; I128-N262 HydrophobicContact CG1-CB 4.12Å; I128-N262 WeakPolarHBondContact CG2-O 3.38Å; F258-N262 PolarHBondContact O-ND2 2.77Å; I259-N262 PolarHBondContact O-N 3.35Å; L260-N262 PolarHBondContact O-N 3.08Å |
| 263 | I | 96.8 | Very high | 98.1 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 32% | 0.323 | 28% | 0.284 | S | S | . | . | trans | -105.6 | 0 | -178.4 | 60.7 | 170.9 | 0 | 0 | 0 | 114.4 | V57 S58 A61 I128 L146 I259 L260 | V57-I263 HydrophobicContact CG2-CB 4.43Å; V57-I263 HydrophobicContact CG2-CG2 3.62Å; S58-I263 VanDerWaalsContact CB-OXT 3.3Å; S58-I263 WeakPolarHBondContact CB-OXT 3.24Å; S58-I263 PolarHBondContact OG-OXT 3.33Å; A61-I263 HydrophobicContact CB-CB 3.77Å; A61-I263 HydrophobicContact CB-CG2 3.76Å; I128-I263 HydrophobicContact CD1-CG2 4Å; I128-I263 HydrophobicContact CG2-CG2 4.31Å; L146-I263 HydrophobicContact CD1-CD1 4.18Å; I259-I263 HydrophobicContact CG2-CG2 3.92Å; I259-I263 PolarHBondContact O-N 2.84Å; L260-I263 HydrophobicContact CD2-CD1 4.37Å |
Retrieved 263 of 263 residues in 213.8 ms
(Link to these results)