| 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 | 56.1 | Low | 51.5 | Low | 207 Ų | 207 | 116.2 Ų | 116.2 | 100% | 1.02 | 63% | 0.629 | S | S | * | * | 0 | -33.2 | 0 | -89.1 | -145.3 | 59.9 | 0 | 0 | 114.1 | |||||
| 2 | L | 50.5 | Low | 51.4 | Low | 151 Ų | 151 | 120.9 Ų | 120.9 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.2 | -31.6 | 176.6 | -126.8 | 73 | 0 | 0 | 0 | 114.2 | L5 T6 | L2-L5 PolarHBondContact O-N 2.87Å; L2-T6 PolarHBondContact O-N 3.37Å; L2-T6 PolarHBondContact O-OG1 3.47Å |
| 3 | S | 51.3 | Low | 51.7 | Low | 89 Ų | 89 | 119.3 Ų | 119.3 | 62% | 0.622 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73 | -28.2 | -174.4 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | L7 | S3-L7 PolarHBondContact O-N 3.32Å |
| 4 | V | 53.6 | Low | 51.7 | Low | 94 Ų | 94 | 120.6 Ų | 120.6 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.2 | -32.3 | 178.2 | -177 | 0 | 0 | 0 | 0 | 110.5 | L7 L8 | V4-L7 PolarHBondContact O-N 3.09Å; V4-L8 HydrophobicContact CG1-CD1 4.39Å; V4-L8 PolarHBondContact O-N 3.43Å; V4-L8 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 50.1 | Low | 51.7 | Low | 117 Ų | 117 | 121.8 Ų | 121.8 | 61% | 0.613 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.6 | -38 | 179 | -151.6 | 76.7 | 0 | 0 | 0 | 111.8 | L2 L8 L9 | L2-L5 PolarHBondContact O-N 2.87Å; L5-L8 PolarHBondContact O-N 3.17Å; L5-L9 PolarHBondContact O-N 3.15Å; L5-L9 VanDerWaalsContact O-N 3.15Å |
| 6 | T | 51.9 | Low | 51.6 | Low | 79 Ų | 79 | 126.1 Ų | 126.1 | 49% | 0.485 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -67.6 | -36.2 | 173.3 | 1.3 | 0 | 0 | 0 | 0 | 112.4 | L2 L9 I10 | L2-T6 PolarHBondContact O-N 3.37Å; L2-T6 PolarHBondContact O-OG1 3.47Å; T6-L9 PolarHBondContact O-N 3.44Å; T6-I10 WeakPolarHBondContact O-CD1 3.39Å; T6-I10 VanDerWaalsContact O-CG1 3.26Å; T6-I10 WeakPolarHBondContact O-CG1 3.26Å; T6-I10 PolarHBondContact O-N 3.48Å |
| 7 | L | 48.9 | Very low | 51.7 | Low | 110 Ų | 110 | 123.4 Ų | 123.4 | 58% | 0.576 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.1 | -35.6 | 176.3 | -160.4 | 71.9 | 0 | 0 | 0 | 112 | S3 V4 I10 L11 | S3-L7 PolarHBondContact O-N 3.32Å; V4-L7 PolarHBondContact O-N 3.09Å; L7-I10 PolarHBondContact O-N 3.1Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.39Å; L7-L11 VanDerWaalsContact O-N 3.1Å |
| 8 | L | 51 | Low | 52 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 52% | 0.524 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -66.5 | -37.5 | 173.9 | -116.8 | 98.7 | 0 | 0 | 0 | 112.9 | V4 L5 I10 L11 F12 | V4-L8 HydrophobicContact CG1-CD1 4.39Å; V4-L8 PolarHBondContact O-N 3.43Å; V4-L8 VanDerWaalsContact O-N 3.09Å; L5-L8 PolarHBondContact O-N 3.17Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-F12 PolarHBondContact O-N 3.35Å |
| 9 | L | 51.6 | Low | 52.8 | Low | 114 Ų | 114 | 124.5 Ų | 124.5 | 60% | 0.597 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.3 | -33.1 | 176.2 | -82.2 | 158.1 | 0 | 0 | 0 | 112.6 | L5 T6 S13 | L5-L9 PolarHBondContact O-N 3.15Å; L5-L9 VanDerWaalsContact O-N 3.15Å; T6-L9 PolarHBondContact O-N 3.44Å; L9-S13 PolarHBondContact O-N 3.19Å; L9-S13 PolarHBondContact O-OG 3.31Å |
| 10 | I | 51.5 | Low | 54.6 | Low | 100 Ų | 100 | 123.7 Ų | 123.7 | 51% | 0.513 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -73.6 | -34.2 | 175.5 | -64.1 | 166.4 | 0 | 0 | 0 | 111 | T6 L7 L8 S13 L14 | T6-I10 WeakPolarHBondContact O-CD1 3.39Å; T6-I10 VanDerWaalsContact O-CG1 3.26Å; T6-I10 WeakPolarHBondContact O-CG1 3.26Å; T6-I10 PolarHBondContact O-N 3.48Å; L7-I10 PolarHBondContact O-N 3.1Å; L8-I10 VanDerWaalsContact C-N 3.35Å; I10-S13 PolarHBondContact O-N 3.21Å; I10-L14 HydrophobicContact CG2-CD1 4.44Å |
| 11 | L | 49.7 | Very low | 56.6 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.5 | -29.1 | 176.1 | -75.6 | 163.3 | 0 | 0 | 0 | 113.4 | L7 L8 | L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.39Å; L7-L11 VanDerWaalsContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 3.43Å |
| 12 | F | 50.6 | Low | 58.6 | Low | 173 Ų | 173 | 108.3 Ų | 108.3 | 76% | 0.759 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.6 | -24.7 | 172.7 | -105.6 | -88.8 | 0 | 0 | 0 | 113.4 | L8 | L8-F12 PolarHBondContact O-N 3.35Å |
| 13 | S | 55.6 | Low | 60.8 | Low | 100 Ų | 100 | 101.1 Ų | 101.1 | 70% | 0.699 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.1 | -178.3 | -66.6 | 0 | 0 | 0 | 0 | 114.6 | L9 I10 | L9-S13 PolarHBondContact O-N 3.19Å; L9-S13 PolarHBondContact O-OG 3.31Å; I10-S13 PolarHBondContact O-N 3.21Å |
| 14 | L | 52 | Low | 63 | Low | 137 Ų | 137 | 99.2 Ų | 99.2 | 72% | 0.717 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 7.2 | -173.8 | -70 | 176.1 | 0 | 0 | 0 | 115 | I10 | I10-L14 HydrophobicContact CG2-CD1 4.44Š|
| 15 | N | 50.7 | Low | 65.2 | Low | 139 Ų | 139 | 96.4 Ų | 96.4 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | trans | -138.9 | 38.6 | -179.9 | -144.5 | 31.1 | 0 | 0 | 0 | 115.1 | A17 | N15-A17 PolarHBondContact O-N 3.49Š| ||
| 16 | E | 50.6 | Low | 67.4 | Low | 191 Ų | 191 | 97.3 Ų | 97.3 | 89% | 0.893 | 50% | 0.502 | S | S | * | . | trans | -84.9 | 71.7 | 147.3 | -77.5 | -165.6 | 177.4 | 0 | 0 | 108.4 | K18 | E16-K18 PolarHBondContact O-N 3.19Š| ||
| 17 | A | 53.8 | Low | 69.7 | Low | 79 Ų | 79 | 93.8 Ų | 93.8 | 65% | 0.653 | 48% | 0.48 | S | S | * | . | trans | -61 | 99.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | N15 Q19 | N15-A17 PolarHBondContact O-N 3.49Å; A17-Q19 PolarHBondContact O-N 3.11Å | ||
| 18 | K | 56.3 | Low | 72 | Confident | 123 Ų | 123 | 91.3 Ų | 91.3 | 54% | 0.535 | 47% | 0.47 | S | S | . | . | trans | -45.6 | 109.2 | 178.2 | -171.5 | 178 | -174 | -179.4 | 0 | 107.3 | E16 K20 T24 E38 | E16-K18 PolarHBondContact O-N 3.19Å; K18-K20 PolarHBondContact O-N 3.11Å; K18-K20 VanDerWaalsContact O-N 3.15Å; K18-T24 HydrophobicContact CD-CG2 3.86Å; K18-T24 HydrophobicContact CG-CG2 4.22Å; K18-E38 IonicContact NZ-OE1 2.79Å; K18-E38 PolarHBondContact NZ-OE1 2.67Å; K18-E38 IonicContact NZ-OE2 2.78Å; K18-E38 PolarHBondContact NZ-OE2 3.12Å | ||
| 19 | Q | 68.3 | Low | 74.3 | Confident | 145 Ų | 145 | 87.5 Ų | 87.5 | 68% | 0.678 | 45% | 0.45 | S | S | * | . | trans | -56.5 | 123 | -170.9 | -167.9 | -168.8 | 16.4 | 0 | 0 | 108.6 | A17 D21 | A17-Q19 PolarHBondContact O-N 3.11Å; Q19-D21 PolarHBondContact O-N 3.35Å; Q19-D21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | K | 86.9 | Confident | 76.4 | Confident | 109 Ų | 109 | 82.9 Ų | 82.9 | 47% | 0.474 | 43% | 0.427 | S | S | . | . | trans | -51.5 | 121.3 | -176.2 | -169.5 | -175.9 | 177.2 | -164.8 | 0 | 110.2 | K18 Y128 E131 K151 | K18-K20 PolarHBondContact O-N 3.11Å; K18-K20 VanDerWaalsContact O-N 3.15Å; K20-Y128 HydrophobicContact CD-CD2 4.13Å; K20-Y128 HydrophobicContact CG-CD2 4.03Å; K20-Y128 HydrophobicContact CG-CE2 4.15Å; K20-E131 IonicContact NZ-OE2 3.56Å; K20-E131 PolarHBondContact NZ-OE2 3.12Å; K20-K151 PolarHBondContact O-NZ 2.97Å | ||
| 21 | D | 96.8 | Very high | 78.5 | Confident | 6 Ų | 6 | 87.1 Ų | 87.1 | 3% | 0.032 | 44% | 0.436 | C | S | . | . | trans | -143.9 | 165.5 | 178.8 | 73.8 | 55.4 | 0 | 0 | 0 | 110.5 | Q19 Y23 T24 R41 Y128 D149 K151 | Q19-D21 PolarHBondContact O-N 3.35Å; Q19-D21 VanDerWaalsContact O-N 3.13Å; D21-Y23 VanDerWaalsContact C-N 3.3Å; D21-Y23 PolarHBondContact O-N 3.09Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.42Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.46Å; D21-Y23 PolarHBondContact OD1-N 3.07Å; D21-T24 PolarHBondContact O-N 3.06Å; D21-T24 PolarHBondContact O-OG1 2.89Å; D21-T24 WeakPolarHBondContact OD1-CG2 3.32Å; D21-T24 PolarHBondContact OD1-N 2.97Å; D21-R41 IonicContact OD1-CZ 2.77Å; D21-R41 IonicContact OD1-NH1 2.89Å; D21-R41 IonicContact OD1-NH2 3.47Å; D21-R41 PolarHBondContact OD1-NH2 3.26Å; D21-R41 IonicContact OD2-CZ 3.04Å; D21-R41 IonicContact OD2-NH1 2.89Å; D21-R41 PolarHBondContact OD2-NH1 2.96Å; D21-R41 VanDerWaalsContact OD2-NH1 3.15Å; D21-R41 IonicContact OD2-NH2 3.56Å; D21-R41 PolarHBondContact OD2-NH2 3.37Å; D21-Y128 WeakPolarHBondContact CA-OH 3.4Å; D21-D149 WeakPolarHBondContact CB-O 3.43Å; D21-D149 VanDerWaalsContact CG-O 3.3Å; D21-K151 HydrophobicContact CB-CD 4.18Å | ||
| 22 | L | 98.3 | Very high | 80.7 | Confident | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.005 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -60 | -40 | -177.7 | -178.5 | 69.4 | 0 | 0 | 0 | 112.4 | T24 F25 L37 V47 A125 Y128 L129 I146 G150 | L22-T24 PolarHBondContact O-N 3.04Å; L22-F25 HydrophobicContact CD1-CD2 4.39Å; L22-F25 VanDerWaalsContact O-CD2 3.3Å; L22-F25 WeakPolarHBondContact O-CD2 3.22Å; L22-F25 PolarHBondContact O-N 3.33Å; L22-F25 VanDerWaalsContact O-N 3.16Å; L22-L37 HydrophobicContact CD1-CD1 4.15Å; L22-L37 HydrophobicContact CG-CD1 4.11Å; L22-V47 HydrophobicContact CD2-CG2 3.48Å; L22-V47 VanDerWaalsContact CD2-CG2 3.48Å; L22-A125 HydrophobicContact CD1-CB 4.06Å; L22-Y128 HydrophobicContact CB-CD1 4.23Å; L22-Y128 HydrophobicContact CB-CE1 3.92Å; L22-Y128 HydrophobicContact CD1-CD1 4.34Å; L22-L129 HydrophobicContact CD1-CD1 4.44Å; L22-L129 HydrophobicContact CD1-CD2 4.14Å; L22-L129 HydrophobicContact CD1-CG 4.22Å; L22-L129 HydrophobicContact CD2-CD2 4.43Å; L22-I146 HydrophobicContact CB-CG2 4.3Å; L22-I146 HydrophobicContact CD2-CB 4.34Å; L22-I146 HydrophobicContact CD2-CD1 3.91Å; L22-I146 HydrophobicContact CD2-CG1 3.61Å; L22-I146 HydrophobicContact CD2-CG2 4.02Å; L22-G150 WeakPolarHBondContact CB-O 3.45Å; L22-G150 PolarHBondContact N-O 2.99Å |
| 23 | Y | 98.3 | Very high | 83 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -71.9 | -17.1 | -173.2 | -60.2 | -32.4 | 0 | 0 | 0 | 112.6 | D21 F25 L37 E38 R41 S43 S45 I146 D147 G150 | D21-Y23 VanDerWaalsContact C-N 3.3Å; D21-Y23 PolarHBondContact O-N 3.09Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.42Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.46Å; D21-Y23 PolarHBondContact OD1-N 3.07Å; Y23-F25 PolarHBondContact O-N 2.87Å; Y23-L37 HydrophobicContact CD1-CB 4.38Å; Y23-L37 CarbonylContact O-C 3.56Å; Y23-E38 VanDerWaalsContact O-CA 3.32Å; Y23-E38 WeakPolarHBondContact O-CA 3.26Å; Y23-E38 PolarHBondContact O-N 3.46Å; Y23-R41 HydrophobicContact CD2-CB 3.82Å; Y23-R41 HydrophobicContact CD2-CG 4.14Å; Y23-R41 HydrophobicContact CE2-CB 4.46Å; Y23-R41 HydrophobicContact CG-CB 4.41Å; Y23-S43 PolarHBondContact OH-O 2.78Å; Y23-S45 WeakPolarHBondContact CE1-OG 3.33Å; Y23-S45 WeakPolarHBondContact OH-CB 3.43Å; Y23-S45 PolarHBondContact OH-N 2.88Å; Y23-S45 PolarHBondContact OH-OG 2.91Å; Y23-I146 HydrophobicContact CE1-CG2 4.17Å; Y23-I146 HydrophobicContact CE2-CG2 4.41Å; Y23-D147 VanDerWaalsContact CE2-O 3.3Å; Y23-D147 WeakPolarHBondContact CE2-O 3.45Å; Y23-D147 PolarHBondContact OH-O 3Å; Y23-G150 VanDerWaalsContact CE2-CA 3.41Å; Y23-G150 VanDerWaalsContact CE2-N 3.31Å |
| 24 | T | 97.4 | Very high | 85 | Confident | 50 Ų | 50 | 84.2 Ų | 84.2 | 31% | 0.307 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -67.2 | -19 | 170.6 | 69.3 | 0 | 0 | 0 | 0 | 114.7 | K18 D21 L22 | K18-T24 HydrophobicContact CD-CG2 3.86Å; K18-T24 HydrophobicContact CG-CG2 4.22Å; D21-T24 PolarHBondContact O-N 3.06Å; D21-T24 PolarHBondContact O-OG1 2.89Å; D21-T24 WeakPolarHBondContact OD1-CG2 3.32Å; D21-T24 PolarHBondContact OD1-N 2.97Å; L22-T24 PolarHBondContact O-N 3.04Å |
| 25 | F | 98.1 | Very high | 87.2 | Confident | 34 Ų | 34 | 78.9 Ų | 78.9 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | trans | -75.9 | 156.4 | -177.7 | -67.2 | -77.8 | 0 | 0 | 0 | 113.3 | L22 Y23 L37 N124 A125 Y128 | L22-F25 HydrophobicContact CD1-CD2 4.39Å; L22-F25 VanDerWaalsContact O-CD2 3.3Å; L22-F25 WeakPolarHBondContact O-CD2 3.22Å; L22-F25 PolarHBondContact O-N 3.33Å; L22-F25 VanDerWaalsContact O-N 3.16Å; Y23-F25 PolarHBondContact O-N 2.87Å; F25-L37 HydrophobicContact CB-CD1 4.24Å; F25-L37 PolarHBondContact O-N 2.83Å; F25-N124 HydrophobicContact CD1-CB 4.16Å; F25-N124 HydrophobicContact CE1-CB 3.85Å; F25-A125 HydrophobicContact CB-CB 4.19Å; F25-A125 HydrophobicContact CD2-CB 4.17Å; F25-A125 HydrophobicContact CG-CB 4.08Å; F25-Y128 HydrophobicContact CE2-CD1 4.04Å; F25-Y128 HydrophobicContact CE2-CD2 4.24Å; F25-Y128 AromaticContact CE2-CG 3.67Å; F25-Y128 HydrophobicContact CE2-CG 3.67Å; F25-Y128 HydrophobicContact CZ-CG 4.14Å | ||
| 26 | K | 98.3 | Very high | 89.5 | Confident | 137 Ų | 137 | 74.4 Ų | 74.4 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140.3 | 166.2 | -60.7 | -176.4 | -178.2 | 178.1 | 0 | 109.3 | L34 V35 | K26-L34 HydrophobicContact CB-CD1 3.84Å; K26-L34 HydrophobicContact CB-CD2 4.43Å; K26-L34 HydrophobicContact CB-CG 4.08Å; K26-L34 HydrophobicContact CD-CD2 4.06Å; K26-L34 HydrophobicContact CD-CG 4.38Å; K26-V35 CarbonylContact C-O 3.55Å; K26-V35 VanDerWaalsContact CA-O 3.24Å; K26-V35 WeakPolarHBondContact CA-O 3.26Å |
| 27 | V | 98.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 158.4 | -178.5 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | V35 L37 F81 F112 A125 | V27-V35 HydrophobicContact CG2-CG2 4.01Å; V27-V35 PolarHBondContact N-O 3.07Å; V27-V35 WeakPolarHBondContact O-CG2 3.45Å; V27-V35 PolarHBondContact O-N 2.83Å; V27-L37 HydrophobicContact CG1-CD1 4.26Å; V27-L37 HydrophobicContact CG1-CG 4.49Å; V27-L37 HydrophobicContact CG2-CD2 3.63Å; V27-L37 HydrophobicContact CG2-CG 4.09Å; V27-F81 HydrophobicContact CB-CE1 4.12Å; V27-F81 HydrophobicContact CG1-CE1 3.96Å; V27-F81 HydrophobicContact CG1-CZ 4.29Å; V27-F81 HydrophobicContact CG2-CE1 4.21Å; V27-F81 HydrophobicContact CG2-CZ 4.38Å; V27-F112 HydrophobicContact CB-CD1 4.28Å; V27-F112 HydrophobicContact CG2-CD1 3.32Å; V27-F112 HydrophobicContact CG2-CE1 3.27Å; V27-F112 HydrophobicContact CG2-CG 4.18Å; V27-F112 HydrophobicContact CG2-CZ 4.1Å; V27-A125 HydrophobicContact CG1-CB 4.37Å |
| 28 | V | 98.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 64.5 Ų | 64.5 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.5 | 175.4 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | G32 R33 L34 F112 S113 | V28-G32 VanDerWaalsContact CG1-C 3.44Å; V28-R33 WeakPolarHBondContact CA-O 3.4Å; V28-L34 HydrophobicContact CG2-CD1 4.26Å; V28-F112 WeakPolarHBondContact O-CB 3.18Å; V28-S113 WeakPolarHBondContact CG1-OG 3.05Å; V28-S113 PolarHBondContact O-N 3.38Å |
| 29 | N | 97.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 65 Ų | 65 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -83.9 | 168.5 | 174.5 | 70.6 | 16.4 | 0 | 0 | 0 | 112 | R31 G32 R33 V35 F112 S113 | N29-R31 PolarHBondContact O-N 3.48Å; N29-R31 WeakPolarHBondContact OD1-CA 3.32Å; N29-R31 PolarHBondContact OD1-N 3.24Å; N29-R31 VanDerWaalsContact OD1-N 3.07Å; N29-G32 PolarHBondContact O-N 3.19Å; N29-G32 PolarHBondContact OD1-N 3.37Å; N29-R33 PolarHBondContact N-O 2.82Å; N29-R33 PolarHBondContact OD1-N 3.38Å; N29-R33 PolarHBondContact OD1-O 2.86Å; N29-V35 HydrophobicContact CB-CG1 4.46Å; N29-V35 HydrophobicContact CB-CG2 4.28Å; N29-F112 HydrophobicContact CB-CD1 4.34Å; N29-S113 PolarHBondContact O-OG 2.82Å |
| 30 | S | 96.6 | Very high | 97.2 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -9.9 | 179.9 | 61.2 | 0 | 0 | 0 | 0 | 115.5 | D98 L111 | S30-D98 PolarHBondContact OG-OD1 2.85Å; S30-D98 VanDerWaalsContact OG-OD1 3.05Å; S30-L111 PolarHBondContact N-O 3.31Å; S30-L111 PolarHBondContact OG-O 3.5Å |
| 31 | R | 95.7 | Very high | 97.8 | Very high | 189 Ų | 189 | 57 Ų | 57 | 71% | 0.713 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 12.9 | 174.9 | -60.4 | -175 | -70.4 | -171.1 | -4.7 | 113.2 | N29 R33 | N29-R31 PolarHBondContact O-N 3.48Å; N29-R31 WeakPolarHBondContact OD1-CA 3.32Å; N29-R31 PolarHBondContact OD1-N 3.24Å; N29-R31 VanDerWaalsContact OD1-N 3.07Å; R31-R33 VanDerWaalsContact C-N 3.3Å; R31-R33 PolarHBondContact O-N 3Å |
| 32 | G | 96.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 58.5 Ų | 58.5 | 58% | 0.577 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 75.3 | 11.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V28 N29 | V28-G32 VanDerWaalsContact CG1-C 3.44Å; N29-G32 PolarHBondContact O-N 3.19Å; N29-G32 PolarHBondContact OD1-N 3.37Å |
| 33 | R | 98.1 | Very high | 97.8 | Very high | 160 Ų | 160 | 58.7 Ų | 58.7 | 60% | 0.604 | 30% | 0.296 | S | S | * | . | trans | -96.1 | 131 | -179.6 | -63.5 | 179.2 | 61.2 | -177.3 | -0.3 | 111.1 | V28 N29 R31 V35 | V28-R33 WeakPolarHBondContact CA-O 3.4Å; N29-R33 PolarHBondContact N-O 2.82Å; N29-R33 PolarHBondContact OD1-N 3.38Å; N29-R33 PolarHBondContact OD1-O 2.86Å; R31-R33 VanDerWaalsContact C-N 3.3Å; R31-R33 PolarHBondContact O-N 3Å; R33-V35 PolarHBondContact O-N 3.39Å | ||
| 34 | L | 98.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 58.7 Ų | 58.7 | 60% | 0.597 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 123.2 | 168.3 | -169.6 | 69.7 | 0 | 0 | 0 | 109.8 | K26 V28 | K26-L34 HydrophobicContact CB-CD1 3.84Å; K26-L34 HydrophobicContact CB-CD2 4.43Å; K26-L34 HydrophobicContact CB-CG 4.08Å; K26-L34 HydrophobicContact CD-CD2 4.06Å; K26-L34 HydrophobicContact CD-CG 4.38Å; V28-L34 HydrophobicContact CG2-CD1 4.26Å |
| 35 | V | 98 | Very high | 97.9 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.8 | 179.8 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | K26 V27 N29 R33 F112 | K26-V35 CarbonylContact C-O 3.55Å; K26-V35 VanDerWaalsContact CA-O 3.24Å; K26-V35 WeakPolarHBondContact CA-O 3.26Å; V27-V35 HydrophobicContact CG2-CG2 4.01Å; V27-V35 PolarHBondContact N-O 3.07Å; V27-V35 WeakPolarHBondContact O-CG2 3.45Å; V27-V35 PolarHBondContact O-N 2.83Å; N29-V35 HydrophobicContact CB-CG1 4.46Å; N29-V35 HydrophobicContact CB-CG2 4.28Å; R33-V35 PolarHBondContact O-N 3.39Å; V35-F112 HydrophobicContact CG2-CD1 4.31Å; V35-F112 HydrophobicContact CG2-CE1 3.78Å |
| 36 | S | 98.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.9 | 172.1 | -179 | 0 | 0 | 0 | 0 | 110.3 | E38 | S36-E38 VanDerWaalsContact OG-CB 3.26Å; S36-E38 WeakPolarHBondContact OG-CB 3.13Å; S36-E38 PolarHBondContact OG-N 2.89Å |
| 37 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -76.5 | -9.9 | 171.4 | -63.3 | -175 | 0 | 0 | 0 | 112.5 | L22 Y23 F25 V27 K39 Y40 L79 F112 | L22-L37 HydrophobicContact CD1-CD1 4.15Å; L22-L37 HydrophobicContact CG-CD1 4.11Å; Y23-L37 HydrophobicContact CD1-CB 4.38Å; Y23-L37 CarbonylContact O-C 3.56Å; F25-L37 HydrophobicContact CB-CD1 4.24Å; F25-L37 PolarHBondContact O-N 2.83Å; V27-L37 HydrophobicContact CG1-CD1 4.26Å; V27-L37 HydrophobicContact CG1-CG 4.49Å; V27-L37 HydrophobicContact CG2-CD2 3.63Å; V27-L37 HydrophobicContact CG2-CG 4.09Å; L37-K39 PolarHBondContact O-N 3.26Å; L37-K39 VanDerWaalsContact O-N 3.07Å; L37-Y40 HydrophobicContact CB-CD2 4.27Å; L37-Y40 HydrophobicContact CD2-CD2 3.94Å; L37-Y40 HydrophobicContact CD2-CE2 3.65Å; L37-Y40 WeakPolarHBondContact O-CB 3.45Å; L37-Y40 VanDerWaalsContact O-CD2 3.31Å; L37-Y40 WeakPolarHBondContact O-CD2 3.31Å; L37-Y40 PolarHBondContact O-N 2.95Å; L37-L79 HydrophobicContact CD2-CD1 4.5Å; L37-F112 HydrophobicContact CD2-CE1 4.07Å; L37-F112 HydrophobicContact CD2-CZ 3.76Å |
| 38 | E | 98.1 | Very high | 97.9 | Very high | 62 Ų | 62 | 48 Ų | 48 | 29% | 0.29 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -56.6 | -29.7 | -179.8 | -168.8 | 70.9 | 178.6 | 0 | 0 | 112.4 | K18 Y23 S36 Y40 R41 | K18-E38 IonicContact NZ-OE1 2.79Å; K18-E38 PolarHBondContact NZ-OE1 2.67Å; K18-E38 IonicContact NZ-OE2 2.78Å; K18-E38 PolarHBondContact NZ-OE2 3.12Å; Y23-E38 VanDerWaalsContact O-CA 3.32Å; Y23-E38 WeakPolarHBondContact O-CA 3.26Å; Y23-E38 PolarHBondContact O-N 3.46Å; S36-E38 VanDerWaalsContact OG-CB 3.26Å; S36-E38 WeakPolarHBondContact OG-CB 3.13Å; S36-E38 PolarHBondContact OG-N 2.89Å; E38-Y40 PolarHBondContact O-N 2.99Å; E38-R41 VanDerWaalsContact CD-NE 3.27Å; E38-R41 VanDerWaalsContact O-CB 3.22Å; E38-R41 WeakPolarHBondContact O-CB 3.42Å; E38-R41 PolarHBondContact O-N 2.91Å; E38-R41 IonicContact OE1-CZ 3.45Å; E38-R41 IonicContact OE1-NE 3.19Å; E38-R41 PolarHBondContact OE1-NE 3.12Å; E38-R41 IonicContact OE1-NH2 2.86Å; E38-R41 IonicContact OE2-CZ 3.15Å; E38-R41 IonicContact OE2-NE 3.8Å; E38-R41 PolarHBondContact OE2-NE 3.39Å; E38-R41 IonicContact OE2-NH2 3.75Å; E38-R41 PolarHBondContact OE2-NH2 3.19Å |
| 39 | K | 97.3 | Very high | 98 | Very high | 134 Ų | 134 | 45.2 Ų | 45.2 | 58% | 0.583 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -62 | -13.2 | 176.5 | 71.2 | 179.6 | -175 | 161.9 | 0 | 114.4 | L37 | L37-K39 PolarHBondContact O-N 3.26Å; L37-K39 VanDerWaalsContact O-N 3.07Å |
| 40 | Y | 98 | Very high | 98 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -97 | -4.8 | 175.9 | -54.5 | -65.4 | 0 | 0 | 0 | 112.8 | L37 E38 S43 N77 L79 P110 F112 | L37-Y40 HydrophobicContact CB-CD2 4.27Å; L37-Y40 HydrophobicContact CD2-CD2 3.94Å; L37-Y40 HydrophobicContact CD2-CE2 3.65Å; L37-Y40 WeakPolarHBondContact O-CB 3.45Å; L37-Y40 VanDerWaalsContact O-CD2 3.31Å; L37-Y40 WeakPolarHBondContact O-CD2 3.31Å; L37-Y40 PolarHBondContact O-N 2.95Å; E38-Y40 PolarHBondContact O-N 2.99Å; Y40-S43 PolarHBondContact O-N 2.89Å; Y40-S43 VanDerWaalsContact O-N 3.12Å; Y40-S43 PolarHBondContact O-OG 2.95Å; Y40-N77 HydrophobicContact CD1-CB 3.95Å; Y40-N77 HydrophobicContact CE1-CB 4.26Å; Y40-L79 HydrophobicContact CD1-CD2 4.06Å; Y40-L79 HydrophobicContact CD2-CD1 3.98Å; Y40-L79 HydrophobicContact CD2-CD2 3.8Å; Y40-L79 HydrophobicContact CE1-CD2 3.7Å; Y40-L79 HydrophobicContact CE2-CD1 4.2Å; Y40-L79 HydrophobicContact CE2-CD2 3.41Å; Y40-L79 VanDerWaalsContact CE2-CD2 3.41Å; Y40-L79 HydrophobicContact CE2-CG 4.49Å; Y40-L79 HydrophobicContact CG-CD1 4.47Å; Y40-L79 HydrophobicContact CG-CD2 4.11Å; Y40-P110 HydrophobicContact CE1-CG 4.07Å; Y40-P110 WeakPolarHBondContact OH-CB 3.24Å; Y40-P110 WeakPolarHBondContact OH-CG 3.33Å; Y40-F112 HydrophobicContact CE2-CZ 4.04Å |
| 41 | R | 97.9 | Very high | 98.1 | Very high | 76 Ų | 76 | 43.5 Ų | 43.5 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 141.6 | 174.5 | -169.7 | 177.9 | -64 | -77 | -5.1 | 110.4 | D21 Y23 E38 S43 T148 D149 | D21-R41 IonicContact OD1-CZ 2.77Å; D21-R41 IonicContact OD1-NH1 2.89Å; D21-R41 IonicContact OD1-NH2 3.47Å; D21-R41 PolarHBondContact OD1-NH2 3.26Å; D21-R41 IonicContact OD2-CZ 3.04Å; D21-R41 IonicContact OD2-NH1 2.89Å; D21-R41 PolarHBondContact OD2-NH1 2.96Å; D21-R41 VanDerWaalsContact OD2-NH1 3.15Å; D21-R41 IonicContact OD2-NH2 3.56Å; D21-R41 PolarHBondContact OD2-NH2 3.37Å; Y23-R41 HydrophobicContact CD2-CB 3.82Å; Y23-R41 HydrophobicContact CD2-CG 4.14Å; Y23-R41 HydrophobicContact CE2-CB 4.46Å; Y23-R41 HydrophobicContact CG-CB 4.41Å; E38-R41 VanDerWaalsContact CD-NE 3.27Å; E38-R41 VanDerWaalsContact O-CB 3.22Å; E38-R41 WeakPolarHBondContact O-CB 3.42Å; E38-R41 PolarHBondContact O-N 2.91Å; E38-R41 IonicContact OE1-CZ 3.45Å; E38-R41 IonicContact OE1-NE 3.19Å; E38-R41 PolarHBondContact OE1-NE 3.12Å; E38-R41 IonicContact OE1-NH2 2.86Å; E38-R41 IonicContact OE2-CZ 3.15Å; E38-R41 IonicContact OE2-NE 3.8Å; E38-R41 PolarHBondContact OE2-NE 3.39Å; E38-R41 IonicContact OE2-NH2 3.75Å; E38-R41 PolarHBondContact OE2-NH2 3.19Å; R41-S43 VanDerWaalsContact C-N 3.28Å; R41-T148 WeakPolarHBondContact CG-O 3.49Å; R41-D149 PolarHBondContact NH1-O 3.23Å |
| 42 | G | 97 | Very high | 98.2 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 38% | 0.381 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 0.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T148 | G42-T148 PolarHBondContact N-O 2.78Š|
| 43 | S | 98.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -122.4 | 155.6 | 171.2 | 73.5 | 0 | 0 | 0 | 0 | 110.9 | Y23 Y40 R41 N77 | Y23-S43 PolarHBondContact OH-O 2.78Å; Y40-S43 PolarHBondContact O-N 2.89Å; Y40-S43 VanDerWaalsContact O-N 3.12Å; Y40-S43 PolarHBondContact O-OG 2.95Å; R41-S43 VanDerWaalsContact C-N 3.28Å; S43-N77 PolarHBondContact OG-ND2 2.9Å |
| 44 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 138.5 | 167.7 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | H75 F76 N77 L145 I146 M172 V173 I176 | V44-H75 PolarHBondContact N-O 2.94Å; V44-F76 HydrophobicContact CB-CD2 3.98Å; V44-F76 HydrophobicContact CG1-CD2 3.88Å; V44-F76 HydrophobicContact CG1-CE2 4.23Å; V44-F76 CarbonylContact O-C 3.55Å; V44-F76 WeakPolarHBondContact O-CA 3.22Å; V44-N77 PolarHBondContact O-N 2.91Å; V44-L145 HydrophobicContact CG1-CD1 3.51Å; V44-I146 WeakPolarHBondContact CA-O 3.34Å; V44-I146 WeakPolarHBondContact CG1-O 3.44Å; V44-M172 HydrophobicContact CG1-CE 4.16Å; V44-M172 HydrophobicContact CG1-SD 4.47Å; V44-M172 HydrophobicContact CG2-CB 3.71Å; V44-M172 HydrophobicContact CG2-CE 4.05Å; V44-V173 HydrophobicContact CG2-CG2 4.29Å; V44-I176 HydrophobicContact CG2-CD1 3.75Å |
| 45 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.8 | 171.8 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | Y23 N77 I146 | Y23-S45 WeakPolarHBondContact CE1-OG 3.33Å; Y23-S45 WeakPolarHBondContact OH-CB 3.43Å; Y23-S45 PolarHBondContact OH-N 2.88Å; Y23-S45 PolarHBondContact OH-OG 2.91Å; S45-N77 CarbonylContact C-O 3.33Å; S45-N77 VanDerWaalsContact CA-O 3.22Å; S45-N77 WeakPolarHBondContact CA-O 3.37Å; S45-I146 PolarHBondContact N-O 3.18Å; S45-I146 PolarHBondContact O-N 2.87Å |
| 46 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 108.3 | 164.9 | -169.4 | 70 | 0 | 0 | 0 | 108.7 | V48 L64 L67 F76 N77 I78 L79 K143 Y144 L145 W156 L165 I169 | L46-V48 HydrophobicContact CD2-CG2 4.21Å; L46-V48 HydrophobicContact CG-CG2 3.99Å; L46-L64 HydrophobicContact CD2-CD2 3.8Å; L46-L67 HydrophobicContact CD2-CD1 4.28Å; L46-F76 HydrophobicContact CB-CE2 3.89Å; L46-F76 HydrophobicContact CB-CZ 3.76Å; L46-N77 PolarHBondContact N-O 2.88Å; L46-I78 WeakPolarHBondContact O-CA 3.41Å; L46-L79 PolarHBondContact O-N 2.84Å; L46-K143 HydrophobicContact CD1-CB 4.16Å; L46-Y144 WeakPolarHBondContact CA-O 3.24Å; L46-L145 HydrophobicContact CD1-CB 4.35Å; L46-L145 HydrophobicContact CD1-CD1 4.37Å; L46-W156 HydrophobicContact CD1-CZ3 4.48Å; L46-L165 HydrophobicContact CD1-CD2 3.81Å; L46-L165 HydrophobicContact CD2-CD2 4.11Å; L46-I169 HydrophobicContact CD2-CD1 4.42Å |
| 47 | V | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129.3 | 177 | -176 | 0 | 0 | 0 | 0 | 109.4 | L22 L79 F81 F126 L129 K143 Y144 I146 | L22-V47 HydrophobicContact CD2-CG2 3.48Å; L22-V47 VanDerWaalsContact CD2-CG2 3.48Å; V47-L79 WeakPolarHBondContact CA-O 3.43Å; V47-L79 HydrophobicContact CG2-CB 4.17Å; V47-L79 HydrophobicContact CG2-CD1 4.12Å; V47-F81 HydrophobicContact CG1-CD2 3.71Å; V47-F81 HydrophobicContact CG1-CE2 3.65Å; V47-F126 HydrophobicContact CG1-CE2 4.12Å; V47-F126 HydrophobicContact CG1-CZ 4.03Å; V47-L129 HydrophobicContact CB-CD1 4.1Å; V47-L129 HydrophobicContact CG1-CD1 3.67Å; V47-L129 HydrophobicContact CG2-CD1 4.4Å; V47-K143 CarbonylContact O-C 3.51Å; V47-K143 WeakPolarHBondContact O-CA 3.31Å; V47-Y144 PolarHBondContact N-O 3.16Å; V47-Y144 PolarHBondContact O-N 3.32Å; V47-I146 HydrophobicContact CG2-CD1 4.43Å; V47-I146 HydrophobicContact CG2-CG1 3.88Å |
| 48 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.4 | -175.4 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | L46 V50 L64 L79 F81 F141 W142 K143 | L46-V48 HydrophobicContact CD2-CG2 4.21Å; L46-V48 HydrophobicContact CG-CG2 3.99Å; V48-V50 HydrophobicContact CB-CG1 4.16Å; V48-V50 HydrophobicContact CG1-CG1 3.78Å; V48-L64 HydrophobicContact CG1-CD1 4.25Å; V48-L64 HydrophobicContact CG2-CD1 4.4Å; V48-L64 HydrophobicContact CG2-CD2 3.9Å; V48-L79 PolarHBondContact N-O 2.92Å; V48-F81 PolarHBondContact O-N 2.99Å; V48-F141 HydrophobicContact CG1-CD1 4.22Å; V48-W142 VanDerWaalsContact CA-O 3.28Å; V48-W142 WeakPolarHBondContact CA-O 3.38Å; V48-W142 WeakPolarHBondContact CG1-O 3.28Å; V48-K143 HydrophobicContact CG1-CG 4.37Å; V48-K143 HydrophobicContact CG2-CG 4.29Å |
| 49 | N | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 124 | 164.4 | 67.4 | -57 | 0 | 0 | 0 | 109.3 | F81 C83 F86 V117 F126 W139 F141 W142 | N49-F81 CarbonylContact C-O 3.53Å; N49-F81 VanDerWaalsContact CA-O 3.23Å; N49-F81 WeakPolarHBondContact CA-O 3.49Å; N49-C83 HydrophobicContact CB-CB 4.4Å; N49-F86 WeakPolarHBondContact ND2-CE2 3.3Å; N49-V117 HydrophobicContact CB-CG1 4.08Å; N49-V117 HydrophobicContact CB-CG2 4.48Å; N49-F126 HydrophobicContact CB-CE1 4.07Å; N49-F126 HydrophobicContact CB-CZ 3.95Å; N49-W139 PolarHBondContact ND2-O 3.24Å; N49-F141 WeakPolarHBondContact O-CA 3.49Å; N49-F141 PolarHBondContact O-N 3.27Å; N49-W142 PolarHBondContact N-O 3.01Å; N49-W142 WeakPolarHBondContact OD1-CA 3.3Å; N49-W142 WeakPolarHBondContact OD1-CB 3.43Å; N49-W142 PolarHBondContact OD1-N 2.75Å; N49-W142 PolarHBondContact OD1-O 3.22Å |
| 50 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 160.5 | -170.8 | -61.4 | 0 | 0 | 0 | 0 | 112 | V48 Y61 A80 F81 P82 C83 L111 F141 | V48-V50 HydrophobicContact CB-CG1 4.16Å; V48-V50 HydrophobicContact CG1-CG1 3.78Å; V50-Y61 HydrophobicContact CB-CE2 4.45Å; V50-Y61 VanDerWaalsContact CB-OH 3.31Å; V50-Y61 WeakPolarHBondContact CB-OH 3.48Å; V50-Y61 HydrophobicContact CG1-CE1 4.48Å; V50-Y61 WeakPolarHBondContact CG2-OH 3.29Å; V50-A80 HydrophobicContact CG1-CB 4.11Å; V50-A80 HydrophobicContact CG2-CB 4.26Å; V50-F81 PolarHBondContact N-O 3.49Å; V50-P82 HydrophobicContact CG2-CB 4.33Å; V50-P82 HydrophobicContact CG2-CG 4.08Å; V50-P82 WeakPolarHBondContact O-CA 3.28Å; V50-C83 PolarHBondContact O-N 3.25Å; V50-L111 HydrophobicContact CG2-CD1 4.24Å; V50-F141 HydrophobicContact CB-CE1 4.06Å; V50-F141 HydrophobicContact CG1-CD1 4.21Å; V50-F141 HydrophobicContact CG1-CE1 3.95Å |
| 51 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -142.9 | 143.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | C54 T57 Q89 E90 N140 F141 | A51-C54 HydrophobicContact CB-CB 3.91Å; A51-T57 PolarHBondContact O-OG1 3.33Å; A51-Q89 HydrophobicContact CB-CB 3.98Å; A51-E90 WeakPolarHBondContact CA-OE2 3.45Å; A51-E90 HydrophobicContact CB-CB 4.45Å; A51-E90 PolarHBondContact N-OE2 3.46Å; A51-N140 HydrophobicContact CB-CB 3.89Å; A51-N140 WeakPolarHBondContact CB-ND2 3.34Å; A51-N140 WeakPolarHBondContact CB-OD1 3.46Å; A51-F141 HydrophobicContact CB-CE2 4.46Å; A51-F141 WeakPolarHBondContact O-CZ 3.45Å | ||
| 52 | S | 97.4 | Very high | 97.4 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -86.9 | -28.1 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | T57 Q89 E90 | S52-T57 WeakPolarHBondContact O-CG2 3.42Å; S52-T57 PolarHBondContact O-OG1 3.36Å; S52-Q89 PolarHBondContact N-O 2.79Å; S52-Q89 VanDerWaalsContact N-O 3.16Å; S52-E90 WeakPolarHBondContact CB-OE1 3.49Å; S52-E90 VanDerWaalsContact N-CD 3.31Å; S52-E90 PolarHBondContact N-OE1 3.43Å; S52-E90 PolarHBondContact N-OE2 2.95Å; S52-E90 PolarHBondContact OG-OE1 2.86Å |
| 53 | D | 95.6 | Very high | 97.5 | Very high | 100 Ų | 100 | 28.9 Ų | 28.9 | 54% | 0.535 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -111.9 | 41.4 | -173.9 | -61.8 | -34.3 | 0 | 0 | 0 | 112 | Q89 | D53-Q89 HydrophobicContact CB-CB 4.29Å; D53-Q89 PolarHBondContact N-O 3.29Å; D53-Q89 WeakPolarHBondContact O-CB 3.14Å; D53-Q89 VanDerWaalsContact O-CD 3.23Å; D53-Q89 VanDerWaalsContact O-CG 3.23Å; D53-Q89 WeakPolarHBondContact O-CG 3.22Å; D53-Q89 PolarHBondContact O-NE2 2.97Å; D53-Q89 VanDerWaalsContact O-NE2 3.15Å |
| 54 | C | 95.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 10% | 0.095 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -113.2 | 147.1 | -177.8 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | A51 F56 T57 Q89 N140 F141 | A51-C54 HydrophobicContact CB-CB 3.91Å; C54-F56 PolarHBondContact O-N 2.94Å; C54-T57 WeakPolarHBondContact CB-OG1 3.3Å; C54-T57 PolarHBondContact N-OG1 2.73Å; C54-T57 VanDerWaalsContact N-OG1 3.12Å; C54-T57 WeakPolarHBondContact O-CB 3.43Å; C54-T57 PolarHBondContact O-N 3Å; C54-T57 PolarHBondContact O-OG1 2.9Å; C54-Q89 HydrophobicContact CB-CB 4.32Å; C54-Q89 PolarHBondContact SG-OE1 2.78Å; C54-N140 HydrophobicContact CB-CB 4.5Å; C54-F141 HydrophobicContact CB-CE2 3.91Å |
| 55 | G | 93.8 | Very high | 97.5 | Very high | 80 Ų | 80 | 28.8 Ų | 28.8 | 83% | 0.825 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 56 | F | 94.1 | Very high | 97.5 | Very high | 74 Ų | 74 | 32.9 Ų | 32.9 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -9.7 | 175.6 | -68.7 | -62 | 0 | 0 | 0 | 113.9 | C54 E58 H60 W139 F141 P158 | C54-F56 PolarHBondContact O-N 2.94Å; F56-E58 PolarHBondContact O-N 3.13Å; F56-H60 AromaticContact CD1-CE1 3.77Å; F56-H60 VanDerWaalsContact O-CB 3.24Å; F56-H60 WeakPolarHBondContact O-CB 3.4Å; F56-H60 PolarHBondContact O-N 3.2Å; F56-H60 VanDerWaalsContact O-N 3.08Å; F56-H60 PolarHBondContact O-ND1 3.15Å; F56-W139 AromaticContact CD2-CD1 3.89Å; F56-W139 AromaticContact CD2-NE1 3.84Å; F56-W139 AromaticContact CE2-CD1 3.83Å; F56-W139 AromaticContact CE2-NE1 3.84Å; F56-F141 HydrophobicContact CB-CD2 3.5Å; F56-F141 VanDerWaalsContact CB-CD2 3.5Å; F56-F141 HydrophobicContact CB-CE2 3.81Å; F56-F141 HydrophobicContact CB-CG 4.32Å; F56-P158 HydrophobicContact CD2-CB 3.97Å; F56-P158 HydrophobicContact CE2-CB 3.82Å; F56-P158 HydrophobicContact CE2-CG 4.31Å; F56-P158 HydrophobicContact CG-CB 4.43Å; F56-P158 HydrophobicContact CZ-CB 4.14Å |
| 57 | T | 96.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | -169.9 | -65 | 0 | 0 | 0 | 0 | 112.6 | A51 S52 C54 H60 Y61 Y105 | A51-T57 PolarHBondContact O-OG1 3.33Å; S52-T57 WeakPolarHBondContact O-CG2 3.42Å; S52-T57 PolarHBondContact O-OG1 3.36Å; C54-T57 WeakPolarHBondContact CB-OG1 3.3Å; C54-T57 PolarHBondContact N-OG1 2.73Å; C54-T57 VanDerWaalsContact N-OG1 3.12Å; C54-T57 WeakPolarHBondContact O-CB 3.43Å; C54-T57 PolarHBondContact O-N 3Å; C54-T57 PolarHBondContact O-OG1 2.9Å; T57-H60 PolarHBondContact O-N 2.91Å; T57-Y61 HydrophobicContact CG2-CD2 3.55Å; T57-Y61 HydrophobicContact CG2-CE2 3.83Å; T57-Y61 WeakPolarHBondContact O-CB 3.21Å; T57-Y61 WeakPolarHBondContact O-CD2 3.33Å; T57-Y61 PolarHBondContact O-N 3Å; T57-Y105 HydrophobicContact CG2-CE2 4.06Å |
| 58 | E | 96.6 | Very high | 97.4 | Very high | 107 Ų | 107 | 33.6 Ų | 33.6 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.2 | -56.2 | -173.3 | -171.5 | 62.8 | -155.5 | 0 | 0 | 112.2 | F56 H60 T62 Y105 | F56-E58 PolarHBondContact O-N 3.13Å; E58-H60 PolarHBondContact O-N 3.15Å; E58-T62 VanDerWaalsContact O-CB 3.31Å; E58-T62 WeakPolarHBondContact O-CB 3.46Å; E58-T62 PolarHBondContact O-N 2.86Å; E58-T62 PolarHBondContact O-OG1 3.19Å; E58-Y105 WeakPolarHBondContact OE2-CE1 3.09Å; E58-Y105 PolarHBondContact OE2-OH 2.84Å |
| 59 | D | 96.5 | Very high | 97.4 | Very high | 109 Ų | 109 | 40.7 Ų | 40.7 | 58% | 0.583 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.1 | -41.4 | -178 | -69.6 | -23.4 | 0 | 0 | 0 | 111.3 | D63 | D59-D63 WeakPolarHBondContact O-CB 3.21Å; D59-D63 VanDerWaalsContact O-CG 3.27Å; D59-D63 PolarHBondContact O-N 3.42Å |
| 60 | H | 97.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.046 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.1 | -47.5 | -176.4 | -77.2 | 71.1 | 0 | 0 | 0 | 112.4 | F56 T57 E58 T62 D63 L64 F141 K143 | F56-H60 AromaticContact CD1-CE1 3.77Å; F56-H60 VanDerWaalsContact O-CB 3.24Å; F56-H60 WeakPolarHBondContact O-CB 3.4Å; F56-H60 PolarHBondContact O-N 3.2Å; F56-H60 VanDerWaalsContact O-N 3.08Å; F56-H60 PolarHBondContact O-ND1 3.15Å; T57-H60 PolarHBondContact O-N 2.91Å; E58-H60 PolarHBondContact O-N 3.15Å; H60-T62 VanDerWaalsContact C-N 3.3Å; H60-T62 PolarHBondContact O-N 3Å; H60-D63 PolarHBondContact O-N 2.92Å; H60-L64 WeakPolarHBondContact O-CB 3.36Å; H60-L64 WeakPolarHBondContact O-CD1 3.29Å; H60-L64 WeakPolarHBondContact O-CG 3.31Å; H60-L64 PolarHBondContact O-N 3.01Å; H60-F141 HydrophobicContact CB-CD1 3.44Å; H60-F141 VanDerWaalsContact CB-CD1 3.44Å; H60-F141 HydrophobicContact CB-CE1 3.56Å; H60-F141 HydrophobicContact CB-CG 4Å; H60-F141 HydrophobicContact CB-CZ 4.21Å; H60-F141 VanDerWaalsContact CD2-CB 3.49Å; H60-F141 WeakPolarHBondContact CD2-CB 3.35Å; H60-F141 AromaticContact CD2-CD1 3.78Å; H60-F141 AromaticContact CD2-CG 3.74Å; H60-F141 AromaticContact CG-CD1 3.71Å; H60-F141 AromaticContact CG-CG 3.78Å; H60-K143 VanDerWaalsContact CD2-CE 3.41Å; H60-K143 WeakPolarHBondContact CD2-CE 3.37Å; H60-K143 PolarHBondContact CD2-NZ 3.49Å; H60-K143 WeakPolarHBondContact NE2-CE 3.49Å; H60-K143 PolarHBondContact NE2-NZ 2.79Å |
| 61 | Y | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 178.4 | -87.5 | -70.5 | 0 | 0 | 0 | 112 | V50 T57 Q65 V101 Y105 V107 F109 F141 | V50-Y61 HydrophobicContact CB-CE2 4.45Å; V50-Y61 VanDerWaalsContact CB-OH 3.31Å; V50-Y61 WeakPolarHBondContact CB-OH 3.48Å; V50-Y61 HydrophobicContact CG1-CE1 4.48Å; V50-Y61 WeakPolarHBondContact CG2-OH 3.29Å; T57-Y61 HydrophobicContact CG2-CD2 3.55Å; T57-Y61 HydrophobicContact CG2-CE2 3.83Å; T57-Y61 WeakPolarHBondContact O-CB 3.21Å; T57-Y61 WeakPolarHBondContact O-CD2 3.33Å; T57-Y61 PolarHBondContact O-N 3Å; Y61-Q65 VanDerWaalsContact O-CB 3.28Å; Y61-Q65 WeakPolarHBondContact O-CB 3.31Å; Y61-Q65 PolarHBondContact O-N 3.32Å; Y61-V101 HydrophobicContact CD1-CB 4.46Å; Y61-V101 HydrophobicContact CD1-CG1 4.4Å; Y61-V101 HydrophobicContact CE1-CB 4.04Å; Y61-V101 HydrophobicContact CE1-CG1 3.68Å; Y61-V101 HydrophobicContact CE2-CG1 4.01Å; Y61-V101 VanDerWaalsContact CZ-CG1 3.44Å; Y61-V101 WeakPolarHBondContact OH-CG1 3.33Å; Y61-Y105 VanDerWaalsContact CB-CG 3.49Å; Y61-Y105 HydrophobicContact CD1-CD2 4.35Å; Y61-Y105 HydrophobicContact CD2-CD2 4.01Å; Y61-Y105 AromaticContact CD2-CE2 3.86Å; Y61-Y105 HydrophobicContact CD2-CE2 3.86Å; Y61-Y105 AromaticContact CG-CD2 3.74Å; Y61-Y105 HydrophobicContact CG-CD2 3.74Å; Y61-Y105 HydrophobicContact CG-CE2 4.05Å; Y61-Y105 HydrophobicContact CG-CG 4.16Å; Y61-V107 HydrophobicContact CD1-CG2 3.85Å; Y61-V107 HydrophobicContact CE1-CG2 4.32Å; Y61-F109 HydrophobicContact CD1-CZ 4.06Å; Y61-F109 HydrophobicContact CE1-CZ 4.31Å; Y61-F141 HydrophobicContact CD2-CE1 4.37Å; Y61-F141 HydrophobicContact CD2-CZ 4.37Å; Y61-F141 HydrophobicContact CE2-CE1 4.27Å; Y61-F141 HydrophobicContact CE2-CZ 4.19Å |
| 62 | T | 98.2 | Very high | 97.2 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -50.9 | 176.6 | -62 | 0 | 0 | 0 | 0 | 111.2 | E58 H60 Q65 Q66 | E58-T62 VanDerWaalsContact O-CB 3.31Å; E58-T62 WeakPolarHBondContact O-CB 3.46Å; E58-T62 PolarHBondContact O-N 2.86Å; E58-T62 PolarHBondContact O-OG1 3.19Å; H60-T62 VanDerWaalsContact C-N 3.3Å; H60-T62 PolarHBondContact O-N 3Å; T62-Q65 PolarHBondContact O-N 2.91Å; T62-Q66 PolarHBondContact O-N 3.47Å |
| 63 | D | 98.3 | Very high | 97 | Very high | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.3 | -37 | -177.6 | -71.9 | -16.7 | 0 | 0 | 0 | 112.6 | D59 H60 Q66 L67 V162 K163 | D59-D63 WeakPolarHBondContact O-CB 3.21Å; D59-D63 VanDerWaalsContact O-CG 3.27Å; D59-D63 PolarHBondContact O-N 3.42Å; H60-D63 PolarHBondContact O-N 2.92Å; D63-Q66 PolarHBondContact O-N 3.14Å; D63-L67 PolarHBondContact O-N 3.44Å; D63-V162 HydrophobicContact CB-CB 3.55Å; D63-V162 HydrophobicContact CB-CG1 3.7Å; D63-V162 HydrophobicContact CB-CG2 4.28Å; D63-K163 VanDerWaalsContact CG-CE 3.46Å; D63-K163 WeakPolarHBondContact OD1-CE 3.32Å; D63-K163 IonicContact OD1-NZ 3.4Å; D63-K163 VanDerWaalsContact OD2-CE 3.26Å; D63-K163 WeakPolarHBondContact OD2-CE 3.47Å; D63-K163 WeakPolarHBondContact OD2-CG 3.49Å |
| 64 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 171.9 | -72.6 | 171.1 | 0 | 0 | 0 | 109.6 | L46 V48 H60 Q66 L67 Q68 I78 F109 V162 | L46-L64 HydrophobicContact CD2-CD2 3.8Å; V48-L64 HydrophobicContact CG1-CD1 4.25Å; V48-L64 HydrophobicContact CG2-CD1 4.4Å; V48-L64 HydrophobicContact CG2-CD2 3.9Å; H60-L64 WeakPolarHBondContact O-CB 3.36Å; H60-L64 WeakPolarHBondContact O-CD1 3.29Å; H60-L64 WeakPolarHBondContact O-CG 3.31Å; H60-L64 PolarHBondContact O-N 3.01Å; L64-Q66 PolarHBondContact O-N 3.02Å; L64-L67 PolarHBondContact O-N 3.06Å; L64-L67 VanDerWaalsContact O-N 3.13Å; L64-Q68 PolarHBondContact O-N 2.92Å; L64-I78 HydrophobicContact CB-CD1 3.64Å; L64-I78 HydrophobicContact CD2-CD1 3.83Å; L64-I78 HydrophobicContact CD2-CG2 4.32Å; L64-I78 HydrophobicContact CG-CD1 4.33Å; L64-I78 WeakPolarHBondContact O-CD1 3.12Å; L64-F109 HydrophobicContact CB-CE1 3.97Å; L64-F109 HydrophobicContact CB-CZ 4.13Å; L64-V162 HydrophobicContact CD2-CG1 4.06Å; L64-V162 HydrophobicContact CD2-CG2 4.11Å; L64-V162 HydrophobicContact CG-CG1 4.4Å; L64-V162 HydrophobicContact CG-CG2 4.16Å |
| 65 | Q | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -34.3 | 178.6 | -178.7 | 54.7 | 31.1 | 0 | 0 | 111.7 | Y61 T62 Q68 R69 G106 V107 S108 F109 | Y61-Q65 VanDerWaalsContact O-CB 3.28Å; Y61-Q65 WeakPolarHBondContact O-CB 3.31Å; Y61-Q65 PolarHBondContact O-N 3.32Å; T62-Q65 PolarHBondContact O-N 2.91Å; Q65-Q68 PolarHBondContact O-N 3.1Å; Q65-R69 VanDerWaalsContact CG-NH2 3.34Å; Q65-R69 WeakPolarHBondContact O-CG 3.49Å; Q65-R69 PolarHBondContact O-N 3.05Å; Q65-G106 PolarHBondContact NE2-O 2.93Å; Q65-V107 VanDerWaalsContact OE1-CA 3.27Å; Q65-S108 PolarHBondContact NE2-OG 3.36Å; Q65-S108 PolarHBondContact OE1-OG 3.44Å; Q65-F109 HydrophobicContact CB-CE1 4.18Å |
| 66 | Q | 98.4 | Very high | 97 | Very high | 87 Ų | 87 | 46.7 Ų | 46.7 | 41% | 0.407 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -47 | 173.1 | -169.4 | 60.3 | 50 | 0 | 0 | 112.2 | T62 D63 L64 Q68 R69 D70 | T62-Q66 PolarHBondContact O-N 3.47Å; D63-Q66 PolarHBondContact O-N 3.14Å; L64-Q66 PolarHBondContact O-N 3.02Å; Q66-Q68 VanDerWaalsContact C-N 3.29Å; Q66-Q68 PolarHBondContact O-N 3.37Å; Q66-R69 PolarHBondContact O-N 3.39Å; Q66-R69 VanDerWaalsContact O-N 3.14Å; Q66-D70 PolarHBondContact NE2-OD1 3.37Å; Q66-D70 PolarHBondContact O-N 2.91Å |
| 67 | L | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -41.3 | 174.9 | -74.2 | -178 | 0 | 0 | 0 | 112.3 | L46 D63 L64 R69 D70 F71 F76 I78 V162 R166 I169 | L46-L67 HydrophobicContact CD2-CD1 4.28Å; D63-L67 PolarHBondContact O-N 3.44Å; L64-L67 PolarHBondContact O-N 3.06Å; L64-L67 VanDerWaalsContact O-N 3.13Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.21Å; L67-D70 PolarHBondContact O-N 3.23Å; L67-F71 HydrophobicContact CD2-CD2 4.1Å; L67-F71 HydrophobicContact CD2-CE2 3.71Å; L67-F71 PolarHBondContact O-N 2.62Å; L67-F76 HydrophobicContact CB-CE1 3.94Å; L67-F76 HydrophobicContact CB-CZ 4.4Å; L67-I78 HydrophobicContact CB-CD1 4.26Å; L67-V162 HydrophobicContact CD1-CG1 3.28Å; L67-V162 HydrophobicContact CG-CG1 3.97Å; L67-R166 HydrophobicContact CD2-CB 3.97Å; L67-R166 HydrophobicContact CD2-CG 3.85Å; L67-I169 HydrophobicContact CD1-CD1 3.79Å |
| 68 | Q | 98.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | 177 | -177.8 | 64.4 | 50.2 | 0 | 0 | 111.7 | L64 Q65 Q66 G72 I78 F109 | L64-Q68 PolarHBondContact O-N 2.92Å; Q65-Q68 PolarHBondContact O-N 3.1Å; Q66-Q68 VanDerWaalsContact C-N 3.29Å; Q66-Q68 PolarHBondContact O-N 3.37Å; Q68-G72 VanDerWaalsContact O-CA 3.31Å; Q68-G72 WeakPolarHBondContact O-CA 3.24Å; Q68-G72 PolarHBondContact O-N 2.93Å; Q68-I78 HydrophobicContact CB-CD1 3.99Å; Q68-I78 HydrophobicContact CB-CG1 4.4Å; Q68-F109 HydrophobicContact CB-CB 4.43Å; Q68-F109 HydrophobicContact CB-CD1 3.9Å; Q68-F109 HydrophobicContact CG-CB 3.85Å; Q68-F109 HydrophobicContact CG-CD1 4.13Å |
| 69 | R | 98.2 | Very high | 97.5 | Very high | 148 Ų | 148 | 38.7 Ų | 38.7 | 56% | 0.558 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -67.1 | -40.6 | 175.2 | -75.8 | -171.3 | -106 | -121.8 | 4.4 | 112.3 | Q65 Q66 L67 | Q65-R69 VanDerWaalsContact CG-NH2 3.34Å; Q65-R69 WeakPolarHBondContact O-CG 3.49Å; Q65-R69 PolarHBondContact O-N 3.05Å; Q66-R69 PolarHBondContact O-N 3.39Å; Q66-R69 VanDerWaalsContact O-N 3.14Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.21Å |
| 70 | D | 97.7 | Very high | 97.6 | Very high | 64 Ų | 64 | 33.5 Ų | 33.5 | 34% | 0.342 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.6 | -40.1 | -175.6 | -79.6 | 14.3 | 0 | 0 | 0 | 112.9 | Q66 L67 R166 | Q66-D70 PolarHBondContact NE2-OD1 3.37Å; Q66-D70 PolarHBondContact O-N 2.91Å; L67-D70 PolarHBondContact O-N 3.23Å; D70-R166 IonicContact OD2-CZ 2.82Å; D70-R166 IonicContact OD2-NE 2.94Å; D70-R166 PolarHBondContact OD2-NE 3.41Å; D70-R166 VanDerWaalsContact OD2-NE 3.13Å; D70-R166 IonicContact OD2-NH2 3.84Å; D70-R166 PolarHBondContact OD2-NH2 3.49Å |
| 71 | F | 98 | Very high | 97.6 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -120.7 | -16.9 | -168 | -57.9 | -59.9 | 0 | 0 | 0 | 115 | L67 F76 R166 I169 A170 V173 | L67-F71 HydrophobicContact CD2-CD2 4.1Å; L67-F71 HydrophobicContact CD2-CE2 3.71Å; L67-F71 PolarHBondContact O-N 2.62Å; F71-F76 HydrophobicContact CB-CB 3.47Å; F71-F76 VanDerWaalsContact CB-CB 3.47Å; F71-F76 HydrophobicContact CB-CD1 3.83Å; F71-F76 HydrophobicContact CB-CG 3.83Å; F71-F76 PolarHBondContact O-N 2.87Å; F71-R166 HydrophobicContact CE2-CG 3.99Å; F71-R166 HydrophobicContact CZ-CG 4.09Å; F71-I169 HydrophobicContact CD2-CG2 3.72Å; F71-I169 HydrophobicContact CE2-CG2 3.99Å; F71-I169 HydrophobicContact CG-CG2 4.3Å; F71-A170 HydrophobicContact CE1-CB 3.79Å; F71-A170 HydrophobicContact CZ-CB 3.61Å; F71-V173 HydrophobicContact CB-CG2 4.19Å; F71-V173 HydrophobicContact CD1-CB 4.43Å; F71-V173 HydrophobicContact CD1-CG1 4.24Å; F71-V173 HydrophobicContact CD1-CG2 4.45Å; F71-V173 HydrophobicContact CG-CG2 4.4Å |
| 72 | G | 96.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 172.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q68 F76 | Q68-G72 VanDerWaalsContact O-CA 3.31Å; Q68-G72 WeakPolarHBondContact O-CA 3.24Å; Q68-G72 PolarHBondContact O-N 2.93Å; G72-F76 VanDerWaalsContact CA-O 3.26Å; G72-F76 WeakPolarHBondContact CA-O 3.49Å |
| 73 | P | 93.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 30.2 Ų | 30.2 | 62% | 0.617 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -90.1 | -7.1 | -7.6 | 35.3 | -34.3 | 0 | 0 | 0 | 113.6 | H75 | P73-H75 PolarHBondContact O-N 3.18Š|
| 74 | S | 90.8 | Very high | 97.7 | Very high | 88 Ų | 88 | 31.4 Ų | 31.4 | 62% | 0.615 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -33.5 | -166.9 | -57.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 75 | H | 95.8 | Very high | 97.7 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 17% | 0.171 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -129.5 | -6.5 | -172.8 | -58.8 | -58.9 | 0 | 0 | 0 | 113.8 | V44 P73 V173 I176 | V44-H75 PolarHBondContact N-O 2.94Å; P73-H75 PolarHBondContact O-N 3.18Å; H75-V173 HydrophobicContact CB-CG1 3.83Å; H75-V173 HydrophobicContact CB-CG2 4.48Å; H75-I176 HydrophobicContact CB-CD1 4.37Å; H75-I176 WeakPolarHBondContact ND1-CG2 3.39Å |
| 76 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142.3 | 179.8 | 177.5 | -104.8 | 0 | 0 | 0 | 111.8 | V44 L46 L67 F71 G72 I78 I169 V173 | V44-F76 HydrophobicContact CB-CD2 3.98Å; V44-F76 HydrophobicContact CG1-CD2 3.88Å; V44-F76 HydrophobicContact CG1-CE2 4.23Å; V44-F76 CarbonylContact O-C 3.55Å; V44-F76 WeakPolarHBondContact O-CA 3.22Å; L46-F76 HydrophobicContact CB-CE2 3.89Å; L46-F76 HydrophobicContact CB-CZ 3.76Å; L67-F76 HydrophobicContact CB-CE1 3.94Å; L67-F76 HydrophobicContact CB-CZ 4.4Å; F71-F76 HydrophobicContact CB-CB 3.47Å; F71-F76 VanDerWaalsContact CB-CB 3.47Å; F71-F76 HydrophobicContact CB-CD1 3.83Å; F71-F76 HydrophobicContact CB-CG 3.83Å; F71-F76 PolarHBondContact O-N 2.87Å; G72-F76 VanDerWaalsContact CA-O 3.26Å; G72-F76 WeakPolarHBondContact CA-O 3.49Å; F76-I78 HydrophobicContact CE1-CD1 4.13Å; F76-I78 HydrophobicContact CE1-CG1 3.56Å; F76-I78 HydrophobicContact CZ-CD1 4.49Å; F76-I78 HydrophobicContact CZ-CG1 3.8Å; F76-I169 HydrophobicContact CD2-CG2 3.7Å; F76-I169 HydrophobicContact CE2-CD1 4.03Å; F76-I169 HydrophobicContact CE2-CG1 4.35Å; F76-I169 HydrophobicContact CE2-CG2 3.71Å; F76-I169 HydrophobicContact CG-CG2 4.26Å; F76-I169 HydrophobicContact CZ-CD1 4.12Å; F76-I169 HydrophobicContact CZ-CG2 4.28Å; F76-V173 HydrophobicContact CB-CG2 3.96Å |
| 77 | N | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 136.4 | 176.1 | -69.4 | -79 | 0 | 0 | 0 | 112 | Y40 S43 V44 S45 L46 L79 | Y40-N77 HydrophobicContact CD1-CB 3.95Å; Y40-N77 HydrophobicContact CE1-CB 4.26Å; S43-N77 PolarHBondContact OG-ND2 2.9Å; V44-N77 PolarHBondContact O-N 2.91Å; S45-N77 CarbonylContact C-O 3.33Å; S45-N77 VanDerWaalsContact CA-O 3.22Å; S45-N77 WeakPolarHBondContact CA-O 3.37Å; L46-N77 PolarHBondContact N-O 2.88Å; N77-L79 HydrophobicContact CB-CD2 4.28Å |
| 78 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.7 | 164.4 | -61.6 | -178.1 | 0 | 0 | 0 | 109 | L46 L64 L67 Q68 F76 F109 P110 | L46-I78 WeakPolarHBondContact O-CA 3.41Å; L64-I78 HydrophobicContact CB-CD1 3.64Å; L64-I78 HydrophobicContact CD2-CD1 3.83Å; L64-I78 HydrophobicContact CD2-CG2 4.32Å; L64-I78 HydrophobicContact CG-CD1 4.33Å; L64-I78 WeakPolarHBondContact O-CD1 3.12Å; L67-I78 HydrophobicContact CB-CD1 4.26Å; Q68-I78 HydrophobicContact CB-CD1 3.99Å; Q68-I78 HydrophobicContact CB-CG1 4.4Å; F76-I78 HydrophobicContact CE1-CD1 4.13Å; F76-I78 HydrophobicContact CE1-CG1 3.56Å; F76-I78 HydrophobicContact CZ-CD1 4.49Å; F76-I78 HydrophobicContact CZ-CG1 3.8Å; I78-F109 HydrophobicContact CB-CB 3.77Å; I78-F109 HydrophobicContact CB-CD1 4.02Å; I78-F109 HydrophobicContact CB-CD2 4.09Å; I78-F109 HydrophobicContact CB-CG 3.71Å; I78-F109 HydrophobicContact CD1-CD1 4.01Å; I78-F109 HydrophobicContact CD1-CE1 4.2Å; I78-F109 HydrophobicContact CG2-CB 4.37Å; I78-F109 HydrophobicContact CG2-CD1 4.16Å; I78-F109 HydrophobicContact CG2-CD2 3.72Å; I78-F109 HydrophobicContact CG2-CE1 4.35Å; I78-F109 HydrophobicContact CG2-CE2 3.94Å; I78-F109 HydrophobicContact CG2-CG 3.84Å; I78-F109 HydrophobicContact CG2-CZ 4.23Å; I78-P110 WeakPolarHBondContact O-CD 3.48Å |
| 79 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 93.4 | 178.6 | -56.1 | -174 | 0 | 0 | 0 | 108.3 | L37 Y40 L46 V47 V48 N77 F81 P110 F112 | L37-L79 HydrophobicContact CD2-CD1 4.5Å; Y40-L79 HydrophobicContact CD1-CD2 4.06Å; Y40-L79 HydrophobicContact CD2-CD1 3.98Å; Y40-L79 HydrophobicContact CD2-CD2 3.8Å; Y40-L79 HydrophobicContact CE1-CD2 3.7Å; Y40-L79 HydrophobicContact CE2-CD1 4.2Å; Y40-L79 HydrophobicContact CE2-CD2 3.41Å; Y40-L79 VanDerWaalsContact CE2-CD2 3.41Å; Y40-L79 HydrophobicContact CE2-CG 4.49Å; Y40-L79 HydrophobicContact CG-CD1 4.47Å; Y40-L79 HydrophobicContact CG-CD2 4.11Å; L46-L79 PolarHBondContact O-N 2.84Å; V47-L79 WeakPolarHBondContact CA-O 3.43Å; V47-L79 HydrophobicContact CG2-CB 4.17Å; V47-L79 HydrophobicContact CG2-CD1 4.12Å; V48-L79 PolarHBondContact N-O 2.92Å; N77-L79 HydrophobicContact CB-CD2 4.28Å; L79-F81 HydrophobicContact CB-CE2 3.95Å; L79-F81 WeakPolarHBondContact O-CD2 3.4Å; L79-P110 HydrophobicContact CD2-CG 4.4Å; L79-F112 HydrophobicContact CB-CE2 3.85Å; L79-F112 HydrophobicContact CD2-CE2 3.98Å; L79-F112 HydrophobicContact CD2-CZ 4.16Å; L79-F112 HydrophobicContact CG-CE2 4.43Å |
| 80 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V50 F109 P110 L111 F112 | V50-A80 HydrophobicContact CG1-CB 4.11Å; V50-A80 HydrophobicContact CG2-CB 4.26Å; A80-F109 HydrophobicContact CB-CD2 3.97Å; A80-F109 HydrophobicContact CB-CE2 3.61Å; A80-P110 PolarHBondContact N-O 2.87Å; A80-L111 HydrophobicContact CB-CD1 3.71Å; A80-F112 WeakPolarHBondContact O-CD2 3.43Å; A80-F112 PolarHBondContact O-N 3.43Å |
| 81 | F | 98.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 102.6 | -178.1 | -68.9 | -92.2 | 0 | 0 | 0 | 110.4 | V27 V47 V48 N49 V50 L79 F112 I115 F126 | V27-F81 HydrophobicContact CB-CE1 4.12Å; V27-F81 HydrophobicContact CG1-CE1 3.96Å; V27-F81 HydrophobicContact CG1-CZ 4.29Å; V27-F81 HydrophobicContact CG2-CE1 4.21Å; V27-F81 HydrophobicContact CG2-CZ 4.38Å; V47-F81 HydrophobicContact CG1-CD2 3.71Å; V47-F81 HydrophobicContact CG1-CE2 3.65Å; V48-F81 PolarHBondContact O-N 2.99Å; N49-F81 CarbonylContact C-O 3.53Å; N49-F81 VanDerWaalsContact CA-O 3.23Å; N49-F81 WeakPolarHBondContact CA-O 3.49Å; V50-F81 PolarHBondContact N-O 3.49Å; L79-F81 HydrophobicContact CB-CE2 3.95Å; L79-F81 WeakPolarHBondContact O-CD2 3.4Å; F81-F112 HydrophobicContact CD1-CB 3.54Å; F81-F112 AromaticContact CD1-CD2 3.97Å; F81-F112 HydrophobicContact CD1-CD2 3.97Å; F81-F112 AromaticContact CD1-CG 3.94Å; F81-F112 HydrophobicContact CD1-CG 3.94Å; F81-F112 HydrophobicContact CD2-CD2 4.06Å; F81-F112 HydrophobicContact CE1-CB 3.61Å; F81-F112 HydrophobicContact CE1-CD1 4.23Å; F81-F112 AromaticContact CE1-CD2 3.59Å; F81-F112 HydrophobicContact CE1-CD2 3.59Å; F81-F112 HydrophobicContact CE1-CE2 4.31Å; F81-F112 AromaticContact CE1-CG 3.53Å; F81-F112 HydrophobicContact CE1-CG 3.53Å; F81-F112 AromaticContact CE2-CD2 3.68Å; F81-F112 HydrophobicContact CE2-CD2 3.68Å; F81-F112 AromaticContact CE2-CE2 3.93Å; F81-F112 HydrophobicContact CE2-CE2 3.93Å; F81-F112 HydrophobicContact CE2-CG 4.47Å; F81-F112 HydrophobicContact CG-CB 4.25Å; F81-F112 HydrophobicContact CG-CD2 4.2Å; F81-F112 HydrophobicContact CZ-CB 4.37Å; F81-F112 HydrophobicContact CZ-CD1 4.46Å; F81-F112 AromaticContact CZ-CD2 3.43Å; F81-F112 HydrophobicContact CZ-CD2 3.43Å; F81-F112 VanDerWaalsContact CZ-CD2 3.43Å; F81-F112 AromaticContact CZ-CE2 3.73Å; F81-F112 HydrophobicContact CZ-CE2 3.73Å; F81-F112 AromaticContact CZ-CG 3.83Å; F81-F112 HydrophobicContact CZ-CG 3.83Å; F81-F112 HydrophobicContact CZ-CZ 4.34Å; F81-I115 HydrophobicContact CB-CD1 3.9Å; F81-I115 HydrophobicContact CB-CG1 4.07Å; F81-I115 HydrophobicContact CD1-CD1 3.52Å; F81-I115 HydrophobicContact CD1-CG1 4.14Å; F81-I115 HydrophobicContact CE1-CD1 4.34Å; F81-I115 HydrophobicContact CG-CD1 3.97Å; F81-F126 HydrophobicContact CB-CE2 3.77Å; F81-F126 HydrophobicContact CB-CZ 4.19Å; F81-F126 HydrophobicContact CD1-CE2 4.3Å; F81-F126 AromaticContact CD2-CE2 3.75Å; F81-F126 HydrophobicContact CD2-CE2 3.75Å; F81-F126 HydrophobicContact CD2-CZ 4.33Å; F81-F126 HydrophobicContact CE2-CE2 4.4Å; F81-F126 AromaticContact CG-CE2 3.68Å; F81-F126 HydrophobicContact CG-CE2 3.68Å; F81-F126 HydrophobicContact CG-CZ 4.43Å |
| 82 | P | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 141.2 | 175.2 | -23.7 | 34.1 | 0 | 0 | 0 | 111.6 | V50 E90 I97 L111 F112 K114 I115 | V50-P82 HydrophobicContact CG2-CB 4.33Å; V50-P82 HydrophobicContact CG2-CG 4.08Å; V50-P82 WeakPolarHBondContact O-CA 3.28Å; P82-E90 HydrophobicContact CB-CG 3.75Å; P82-I97 HydrophobicContact CB-CD1 4.05Å; P82-I97 HydrophobicContact CB-CG2 4.34Å; P82-I97 HydrophobicContact CG-CG2 4.01Å; P82-L111 HydrophobicContact CG-CD1 3.86Å; P82-L111 HydrophobicContact CG-CD2 4.28Å; P82-L111 HydrophobicContact CG-CG 4.02Å; P82-F112 VanDerWaalsContact CD-O 3.24Å; P82-F112 WeakPolarHBondContact CD-O 3.31Å; P82-K114 HydrophobicContact CB-CB 4.14Å; P82-K114 HydrophobicContact CB-CG 4.2Å; P82-K114 VanDerWaalsContact O-CA 3.29Å; P82-K114 WeakPolarHBondContact O-CA 3.18Å; P82-I115 PolarHBondContact O-N 2.92Å |
| 83 | C | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -144.6 | 129.3 | -179.8 | -179 | 0 | 0 | 0 | 0 | 111.4 | N49 V50 Q85 E90 V117 | N49-C83 HydrophobicContact CB-CB 4.4Å; V50-C83 PolarHBondContact O-N 3.25Å; C83-Q85 PolarHBondContact SG-N 3.43Å; C83-E90 VanDerWaalsContact O-CB 3.29Å; C83-E90 WeakPolarHBondContact O-CB 3.45Å; C83-V117 HydrophobicContact CB-CG1 4.16Å; C83-V117 HydrophobicContact CB-CG2 4.43Å | ||
| 84 | N | 98.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 35.5 Ų | 35.5 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | trans | -100.4 | 9.8 | 179.8 | -155.7 | 34.8 | 0 | 0 | 0 | 114.1 | F86 Q88 Q89 E90 K114 | N84-F86 VanDerWaalsContact C-N 3.32Å; N84-Q88 WeakPolarHBondContact OD1-CA 3.49Å; N84-Q88 PolarHBondContact OD1-O 3.37Å; N84-Q89 PolarHBondContact OD1-N 3.47Å; N84-E90 HydrophobicContact CB-CB 4.28Å; N84-E90 WeakPolarHBondContact CB-O 3.4Å; N84-E90 VanDerWaalsContact CG-O 3.27Å; N84-E90 WeakPolarHBondContact OD1-CA 3.37Å; N84-E90 PolarHBondContact OD1-N 2.93Å; N84-E90 PolarHBondContact OD1-O 2.9Å; N84-K114 HydrophobicContact CB-CD 4.13Å | ||
| 85 | Q | 98.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 40% | 0.397 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -76.9 | -18.6 | -175.3 | -66.3 | -178.9 | -75.3 | 0 | 0 | 113.4 | C83 V118 | C83-Q85 PolarHBondContact SG-N 3.43Å; Q85-V118 HydrophobicContact CB-CG2 4.45Å; Q85-V118 PolarHBondContact NE2-O 2.81Å |
| 86 | F | 98.4 | Very high | 98.3 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -109 | 107.9 | -175.6 | -49.1 | -70 | 0 | 0 | 0 | 110.3 | N49 N84 Q88 Q89 V117 V118 P137 W139 N140 | N49-F86 WeakPolarHBondContact ND2-CE2 3.3Å; N84-F86 VanDerWaalsContact C-N 3.32Å; F86-Q88 PolarHBondContact O-N 3.11Å; F86-Q89 PolarHBondContact O-N 2.99Å; F86-V117 HydrophobicContact CE2-CG2 3.54Å; F86-V117 HydrophobicContact CZ-CG2 3.72Å; F86-V118 HydrophobicContact CE1-CG2 4.42Å; F86-V118 HydrophobicContact CZ-CG1 4.08Å; F86-V118 HydrophobicContact CZ-CG2 4.28Å; F86-P137 WeakPolarHBondContact CE1-O 3.32Å; F86-P137 HydrophobicContact CE2-CB 4.31Å; F86-P137 HydrophobicContact CZ-CB 3.85Å; F86-P137 WeakPolarHBondContact CZ-O 3.46Å; F86-W139 HydrophobicContact CB-CD2 4.44Å; F86-W139 HydrophobicContact CB-CE3 4.16Å; F86-W139 HydrophobicContact CB-CZ3 4.48Å; F86-W139 WeakPolarHBondContact CE2-O 3.39Å; F86-N140 WeakPolarHBondContact CD2-OD1 3.38Å; F86-N140 PolarHBondContact O-ND2 3.4Å |
| 87 | G | 97.1 | Very high | 98.3 | Very high | 56 Ų | 56 | 42 Ų | 42 | 58% | 0.577 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 10.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q89 | G87-Q89 PolarHBondContact O-N 3.3Š|
| 88 | Q | 97.7 | Very high | 98.3 | Very high | 153 Ų | 153 | 42.5 Ų | 42.5 | 72% | 0.715 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 37.3 | -172.4 | -55 | -179.1 | 25.3 | 0 | 0 | 113.3 | N84 F86 E90 | N84-Q88 WeakPolarHBondContact OD1-CA 3.49Å; N84-Q88 PolarHBondContact OD1-O 3.37Å; F86-Q88 PolarHBondContact O-N 3.11Å; Q88-E90 VanDerWaalsContact C-N 3.29Å; Q88-E90 PolarHBondContact O-N 3.19Å |
| 89 | Q | 98.2 | Very high | 98.3 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | trans | -87.3 | 13.5 | -173.5 | -64.5 | -175.9 | -40.7 | 0 | 0 | 114.3 | A51 S52 D53 C54 N84 F86 G87 N140 | A51-Q89 HydrophobicContact CB-CB 3.98Å; S52-Q89 PolarHBondContact N-O 2.79Å; S52-Q89 VanDerWaalsContact N-O 3.16Å; D53-Q89 HydrophobicContact CB-CB 4.29Å; D53-Q89 PolarHBondContact N-O 3.29Å; D53-Q89 WeakPolarHBondContact O-CB 3.14Å; D53-Q89 VanDerWaalsContact O-CD 3.23Å; D53-Q89 VanDerWaalsContact O-CG 3.23Å; D53-Q89 WeakPolarHBondContact O-CG 3.22Å; D53-Q89 PolarHBondContact O-NE2 2.97Å; D53-Q89 VanDerWaalsContact O-NE2 3.15Å; C54-Q89 HydrophobicContact CB-CB 4.32Å; C54-Q89 PolarHBondContact SG-OE1 2.78Å; N84-Q89 PolarHBondContact OD1-N 3.47Å; F86-Q89 PolarHBondContact O-N 2.99Å; G87-Q89 PolarHBondContact O-N 3.3Å; Q89-N140 PolarHBondContact OE1-ND2 3.16Å | ||
| 90 | E | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | trans | -139.6 | 56.7 | 174.9 | -163.9 | 73.1 | -77.3 | 0 | 0 | 110.2 | A51 S52 P82 C83 N84 Q88 G92 I97 K114 | A51-E90 WeakPolarHBondContact CA-OE2 3.45Å; A51-E90 HydrophobicContact CB-CB 4.45Å; A51-E90 PolarHBondContact N-OE2 3.46Å; S52-E90 WeakPolarHBondContact CB-OE1 3.49Å; S52-E90 VanDerWaalsContact N-CD 3.31Å; S52-E90 PolarHBondContact N-OE1 3.43Å; S52-E90 PolarHBondContact N-OE2 2.95Å; S52-E90 PolarHBondContact OG-OE1 2.86Å; P82-E90 HydrophobicContact CB-CG 3.75Å; C83-E90 VanDerWaalsContact O-CB 3.29Å; C83-E90 WeakPolarHBondContact O-CB 3.45Å; N84-E90 HydrophobicContact CB-CB 4.28Å; N84-E90 WeakPolarHBondContact CB-O 3.4Å; N84-E90 VanDerWaalsContact CG-O 3.27Å; N84-E90 WeakPolarHBondContact OD1-CA 3.37Å; N84-E90 PolarHBondContact OD1-N 2.93Å; N84-E90 PolarHBondContact OD1-O 2.9Å; Q88-E90 VanDerWaalsContact C-N 3.29Å; Q88-E90 PolarHBondContact O-N 3.19Å; E90-G92 VanDerWaalsContact C-N 3.34Å; E90-G92 PolarHBondContact O-N 2.77Å; E90-I97 HydrophobicContact CG-CD1 3.64Å; E90-I97 HydrophobicContact CG-CG1 4.32Å; E90-K114 HydrophobicContact CB-CD 4.42Å; E90-K114 HydrophobicContact CG-CD 3.97Å; E90-K114 VanDerWaalsContact O-CD 3.29Å; E90-K114 WeakPolarHBondContact O-CD 2.97Å; E90-K114 PolarHBondContact O-NZ 2.98Å | ||
| 91 | P | 97.9 | Very high | 98.2 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | trans | -72.8 | -26.4 | -170.8 | 29.6 | -35.3 | 0 | 0 | 0 | 113 | K114 | P91-K114 PolarHBondContact O-NZ 2.88Å; P91-K114 VanDerWaalsContact O-NZ 3.15Å | ||
| 92 | G | 97.7 | Very high | 98.1 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -62.3 | 166.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E90 I97 K114 | E90-G92 VanDerWaalsContact C-N 3.34Å; E90-G92 PolarHBondContact O-N 2.77Å; G92-I97 WeakPolarHBondContact O-CD1 3.26Å; G92-K114 PolarHBondContact O-NZ 3.01Å |
| 93 | S | 98.3 | Very high | 98.1 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | trans | -74.6 | 161.4 | 172.4 | 75.3 | 0 | 0 | 0 | 0 | 111.4 | K95 D96 I97 | S93-K95 PolarHBondContact O-N 3.15Å; S93-K95 VanDerWaalsContact O-N 3.1Å; S93-D96 WeakPolarHBondContact CB-OD2 3.28Å; S93-D96 PolarHBondContact N-OD2 3.4Å; S93-D96 PolarHBondContact O-N 3.31Å; S93-D96 PolarHBondContact OG-N 3.39Å; S93-D96 PolarHBondContact OG-OD2 3.01Å; S93-I97 VanDerWaalsContact O-CG1 3.26Å; S93-I97 WeakPolarHBondContact O-CG1 3.48Å; S93-I97 PolarHBondContact O-N 2.88Å | ||
| 94 | D | 98.3 | Very high | 98 | Very high | 41 Ų | 41 | 65.1 Ų | 65.1 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -51.1 | -37.8 | 175.6 | -73.1 | -7.7 | 0 | 0 | 0 | 112.6 | D98 S113 K114 | D94-D98 VanDerWaalsContact O-CB 3.29Å; D94-D98 WeakPolarHBondContact O-CB 3.39Å; D94-D98 PolarHBondContact O-N 3.21Å; D94-S113 VanDerWaalsContact OD2-CA 3.31Å; D94-S113 WeakPolarHBondContact OD2-CA 3.46Å; D94-S113 WeakPolarHBondContact OD2-CB 3.42Å; D94-S113 PolarHBondContact OD2-OG 3.41Å; D94-K114 WeakPolarHBondContact OD1-CB 3.34Å; D94-K114 PolarHBondContact OD1-N 2.84Å |
| 95 | K | 97.7 | Very high | 98 | Very high | 165 Ų | 165 | 64 Ų | 64 | 72% | 0.717 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.1 | -43.6 | 178.5 | -177.1 | -176 | 175 | -172.2 | 0 | 111.8 | S93 A99 | S93-K95 PolarHBondContact O-N 3.15Å; S93-K95 VanDerWaalsContact O-N 3.1Å; K95-A99 VanDerWaalsContact O-CB 3.3Å; K95-A99 WeakPolarHBondContact O-CB 3.25Å; K95-A99 PolarHBondContact O-N 3.08Å |
| 96 | D | 98.1 | Very high | 97.9 | Very high | 93 Ų | 93 | 61.8 Ų | 61.8 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.1 | -40.6 | -178.4 | -56.8 | -41.7 | 0 | 0 | 0 | 110.8 | S93 A99 F100 | S93-D96 WeakPolarHBondContact CB-OD2 3.28Å; S93-D96 PolarHBondContact N-OD2 3.4Å; S93-D96 PolarHBondContact O-N 3.31Å; S93-D96 PolarHBondContact OG-N 3.39Å; S93-D96 PolarHBondContact OG-OD2 3.01Å; D96-A99 PolarHBondContact O-N 3.44Å; D96-F100 VanDerWaalsContact O-CB 3.25Å; D96-F100 WeakPolarHBondContact O-CB 3.39Å; D96-F100 PolarHBondContact O-N 3.25Å |
| 97 | I | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -49.8 | 176.5 | -59.7 | 161.7 | 0 | 0 | 0 | 109.8 | P82 E90 G92 S93 A99 F100 V101 L111 K114 | P82-I97 HydrophobicContact CB-CD1 4.05Å; P82-I97 HydrophobicContact CB-CG2 4.34Å; P82-I97 HydrophobicContact CG-CG2 4.01Å; E90-I97 HydrophobicContact CG-CD1 3.64Å; E90-I97 HydrophobicContact CG-CG1 4.32Å; G92-I97 WeakPolarHBondContact O-CD1 3.26Å; S93-I97 VanDerWaalsContact O-CG1 3.26Å; S93-I97 WeakPolarHBondContact O-CG1 3.48Å; S93-I97 PolarHBondContact O-N 2.88Å; I97-A99 VanDerWaalsContact C-N 3.33Å; I97-A99 PolarHBondContact O-N 2.97Å; I97-F100 PolarHBondContact O-N 2.94Å; I97-V101 HydrophobicContact CG2-CG1 4.41Å; I97-V101 WeakPolarHBondContact O-CG1 2.84Å; I97-V101 WeakPolarHBondContact O-CG2 3.41Å; I97-V101 PolarHBondContact O-N 2.76Å; I97-L111 HydrophobicContact CG2-CD2 3.96Å; I97-K114 HydrophobicContact CD1-CD 4.09Å |
| 98 | D | 97.9 | Very high | 97.9 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 178.1 | -172 | 90.3 | 0 | 0 | 0 | 111.7 | S30 D94 R102 L111 | S30-D98 PolarHBondContact OG-OD1 2.85Å; S30-D98 VanDerWaalsContact OG-OD1 3.05Å; D94-D98 VanDerWaalsContact O-CB 3.29Å; D94-D98 WeakPolarHBondContact O-CB 3.39Å; D94-D98 PolarHBondContact O-N 3.21Å; D98-R102 VanDerWaalsContact CG-NE 3.28Å; D98-R102 WeakPolarHBondContact O-CB 3.44Å; D98-R102 WeakPolarHBondContact O-CG 3.35Å; D98-R102 PolarHBondContact O-N 3.35Å; D98-R102 VanDerWaalsContact O-N 3.16Å; D98-R102 IonicContact OD1-CZ 3.33Å; D98-R102 IonicContact OD1-NE 3.61Å; D98-R102 PolarHBondContact OD1-NE 3.13Å; D98-R102 IonicContact OD1-NH2 2.87Å; D98-R102 PolarHBondContact OD1-NH2 2.89Å; D98-R102 WeakPolarHBondContact OD2-CD 3.3Å; D98-R102 IonicContact OD2-CZ 3.13Å; D98-R102 IonicContact OD2-NE 3.72Å; D98-R102 PolarHBondContact OD2-NE 3.4Å; D98-R102 IonicContact OD2-NH2 2.66Å; D98-L111 HydrophobicContact CB-CD2 3.88Å |
| 99 | A | 97.8 | Very high | 97.9 | Very high | 54 Ų | 54 | 54.9 Ų | 54.9 | 45% | 0.446 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K95 D96 I97 R103 | K95-A99 VanDerWaalsContact O-CB 3.3Å; K95-A99 WeakPolarHBondContact O-CB 3.25Å; K95-A99 PolarHBondContact O-N 3.08Å; D96-A99 PolarHBondContact O-N 3.44Å; I97-A99 VanDerWaalsContact C-N 3.33Å; I97-A99 PolarHBondContact O-N 2.97Å; A99-R103 WeakPolarHBondContact O-CB 3.48Å; A99-R103 PolarHBondContact O-N 3.16Å |
| 100 | F | 97.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 23% | 0.232 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -57.1 | 178.2 | 170.5 | -101.5 | 0 | 0 | 0 | 111.2 | D96 I97 R102 R103 V104 Y105 | D96-F100 VanDerWaalsContact O-CB 3.25Å; D96-F100 WeakPolarHBondContact O-CB 3.39Å; D96-F100 PolarHBondContact O-N 3.25Å; I97-F100 PolarHBondContact O-N 2.94Å; F100-R102 VanDerWaalsContact C-N 3.29Å; F100-R102 PolarHBondContact O-N 3.26Å; F100-R103 PolarHBondContact O-N 3.13Å; F100-R103 VanDerWaalsContact O-N 3.15Å; F100-V104 HydrophobicContact CD2-CG2 3.78Å; F100-V104 HydrophobicContact CE2-CB 4.43Å; F100-V104 HydrophobicContact CE2-CG2 3.63Å; F100-V104 HydrophobicContact CG-CG2 4.47Å; F100-V104 HydrophobicContact CZ-CG2 4.2Å; F100-V104 WeakPolarHBondContact O-CB 3.41Å; F100-V104 WeakPolarHBondContact O-CG2 3.29Å; F100-V104 PolarHBondContact O-N 2.62Å; F100-Y105 AromaticContact CE1-CE2 3.84Å; F100-Y105 HydrophobicContact CE1-CE2 3.84Å; F100-Y105 HydrophobicContact CZ-CE2 4.12Å |
| 101 | V | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.2 | -32.3 | -173 | -57 | 0 | 0 | 0 | 0 | 112.4 | Y61 I97 Y105 G106 V107 L111 | Y61-V101 HydrophobicContact CD1-CB 4.46Å; Y61-V101 HydrophobicContact CD1-CG1 4.4Å; Y61-V101 HydrophobicContact CE1-CB 4.04Å; Y61-V101 HydrophobicContact CE1-CG1 3.68Å; Y61-V101 HydrophobicContact CE2-CG1 4.01Å; Y61-V101 VanDerWaalsContact CZ-CG1 3.44Å; Y61-V101 WeakPolarHBondContact OH-CG1 3.33Å; I97-V101 HydrophobicContact CG2-CG1 4.41Å; I97-V101 WeakPolarHBondContact O-CG1 2.84Å; I97-V101 WeakPolarHBondContact O-CG2 3.41Å; I97-V101 PolarHBondContact O-N 2.76Å; V101-Y105 HydrophobicContact CB-CD2 4.46Å; V101-Y105 WeakPolarHBondContact O-CA 3.43Å; V101-Y105 WeakPolarHBondContact O-CB 3.34Å; V101-Y105 PolarHBondContact O-N 3.4Å; V101-G106 PolarHBondContact O-N 3Å; V101-V107 HydrophobicContact CB-CB 4.43Å; V101-V107 HydrophobicContact CB-CG2 4.02Å; V101-V107 HydrophobicContact CG2-CB 4.14Å; V101-V107 HydrophobicContact CG2-CG1 4.42Å; V101-V107 HydrophobicContact CG2-CG2 4.22Å; V101-L111 HydrophobicContact CG2-CD2 4.04Å |
| 102 | R | 97.7 | Very high | 97.9 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 173.8 | -71.2 | -177.6 | -167.6 | -62 | -12.8 | 112 | D98 F100 G106 V107 | D98-R102 VanDerWaalsContact CG-NE 3.28Å; D98-R102 WeakPolarHBondContact O-CB 3.44Å; D98-R102 WeakPolarHBondContact O-CG 3.35Å; D98-R102 PolarHBondContact O-N 3.35Å; D98-R102 VanDerWaalsContact O-N 3.16Å; D98-R102 IonicContact OD1-CZ 3.33Å; D98-R102 IonicContact OD1-NE 3.61Å; D98-R102 PolarHBondContact OD1-NE 3.13Å; D98-R102 IonicContact OD1-NH2 2.87Å; D98-R102 PolarHBondContact OD1-NH2 2.89Å; D98-R102 WeakPolarHBondContact OD2-CD 3.3Å; D98-R102 IonicContact OD2-CZ 3.13Å; D98-R102 IonicContact OD2-NE 3.72Å; D98-R102 PolarHBondContact OD2-NE 3.4Å; D98-R102 IonicContact OD2-NH2 2.66Å; F100-R102 VanDerWaalsContact C-N 3.29Å; F100-R102 PolarHBondContact O-N 3.26Å; R102-G106 WeakPolarHBondContact O-CA 3.5Å; R102-G106 PolarHBondContact O-N 2.9Å; R102-G106 VanDerWaalsContact O-N 3.08Å; R102-V107 PolarHBondContact NH1-O 2.92Å |
| 103 | R | 97.9 | Very high | 98 | Very high | 202 Ų | 202 | 50.7 Ų | 50.7 | 76% | 0.762 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.8 | -42.4 | -178.8 | -179.5 | 179.7 | 63.2 | 152.6 | 0.7 | 112.1 | A99 F100 | A99-R103 WeakPolarHBondContact O-CB 3.48Å; A99-R103 PolarHBondContact O-N 3.16Å; F100-R103 PolarHBondContact O-N 3.13Å; F100-R103 VanDerWaalsContact O-N 3.15Å |
| 104 | V | 97.9 | Very high | 98 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -85.4 | -45.9 | -172.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | F100 | F100-V104 HydrophobicContact CD2-CG2 3.78Å; F100-V104 HydrophobicContact CE2-CB 4.43Å; F100-V104 HydrophobicContact CE2-CG2 3.63Å; F100-V104 HydrophobicContact CG-CG2 4.47Å; F100-V104 HydrophobicContact CZ-CG2 4.2Å; F100-V104 WeakPolarHBondContact O-CB 3.41Å; F100-V104 WeakPolarHBondContact O-CG2 3.29Å; F100-V104 PolarHBondContact O-N 2.62Å |
| 105 | Y | 97.9 | Very high | 98 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -108.4 | -6.1 | -171.5 | -57.1 | -68.2 | 0 | 0 | 0 | 113.9 | T57 E58 Y61 F100 V101 V107 | T57-Y105 HydrophobicContact CG2-CE2 4.06Å; E58-Y105 WeakPolarHBondContact OE2-CE1 3.09Å; E58-Y105 PolarHBondContact OE2-OH 2.84Å; Y61-Y105 VanDerWaalsContact CB-CG 3.49Å; Y61-Y105 HydrophobicContact CD1-CD2 4.35Å; Y61-Y105 HydrophobicContact CD2-CD2 4.01Å; Y61-Y105 AromaticContact CD2-CE2 3.86Å; Y61-Y105 HydrophobicContact CD2-CE2 3.86Å; Y61-Y105 AromaticContact CG-CD2 3.74Å; Y61-Y105 HydrophobicContact CG-CD2 3.74Å; Y61-Y105 HydrophobicContact CG-CE2 4.05Å; Y61-Y105 HydrophobicContact CG-CG 4.16Å; F100-Y105 AromaticContact CE1-CE2 3.84Å; F100-Y105 HydrophobicContact CE1-CE2 3.84Å; F100-Y105 HydrophobicContact CZ-CE2 4.12Å; V101-Y105 HydrophobicContact CB-CD2 4.46Å; V101-Y105 WeakPolarHBondContact O-CA 3.43Å; V101-Y105 WeakPolarHBondContact O-CB 3.34Å; V101-Y105 PolarHBondContact O-N 3.4Å; Y105-V107 VanDerWaalsContact C-N 3.26Å; Y105-V107 PolarHBondContact O-N 3.28Å |
| 106 | G | 97.7 | Very high | 98.1 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 40% | 0.402 | 24% | 0.238 | S | C | . | . | trans | 65.3 | 31.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q65 V101 R102 S108 | Q65-G106 PolarHBondContact NE2-O 2.93Å; V101-G106 PolarHBondContact O-N 3Å; R102-G106 WeakPolarHBondContact O-CA 3.5Å; R102-G106 PolarHBondContact O-N 2.9Å; R102-G106 VanDerWaalsContact O-N 3.08Å; G106-S108 PolarHBondContact O-N 3Å | ||
| 107 | V | 97.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | trans | -55 | 121 | -176.9 | 167.4 | 0 | 0 | 0 | 0 | 111.5 | Y61 Q65 V101 R102 Y105 F109 | Y61-V107 HydrophobicContact CD1-CG2 3.85Å; Y61-V107 HydrophobicContact CE1-CG2 4.32Å; Q65-V107 VanDerWaalsContact OE1-CA 3.27Å; V101-V107 HydrophobicContact CB-CB 4.43Å; V101-V107 HydrophobicContact CB-CG2 4.02Å; V101-V107 HydrophobicContact CG2-CB 4.14Å; V101-V107 HydrophobicContact CG2-CG1 4.42Å; V101-V107 HydrophobicContact CG2-CG2 4.22Å; R102-V107 PolarHBondContact NH1-O 2.92Å; Y105-V107 VanDerWaalsContact C-N 3.26Å; Y105-V107 PolarHBondContact O-N 3.28Å; V107-F109 HydrophobicContact CB-CE1 4.31Å; V107-F109 HydrophobicContact CB-CE2 4.44Å; V107-F109 HydrophobicContact CB-CZ 4.18Å; V107-F109 HydrophobicContact CG1-CD1 3.86Å; V107-F109 HydrophobicContact CG1-CD2 3.48Å; V107-F109 VanDerWaalsContact CG1-CD2 3.48Å; V107-F109 HydrophobicContact CG1-CE1 3.76Å; V107-F109 HydrophobicContact CG1-CE2 3.37Å; V107-F109 HydrophobicContact CG1-CG 3.73Å; V107-F109 HydrophobicContact CG1-CZ 3.53Å; V107-F109 HydrophobicContact CG2-CE1 3.86Å; V107-F109 HydrophobicContact CG2-CE2 4.17Å; V107-F109 HydrophobicContact CG2-CZ 3.57Å | ||
| 108 | S | 97.4 | Very high | 98.1 | Very high | 74 Ų | 74 | 41 Ų | 41 | 52% | 0.517 | 22% | 0.222 | S | C | . | . | trans | -106 | -11.2 | 176.2 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | Q65 G106 | Q65-S108 PolarHBondContact NE2-OG 3.36Å; Q65-S108 PolarHBondContact OE1-OG 3.44Å; G106-S108 PolarHBondContact O-N 3Å | ||
| 109 | F | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -79.6 | 161.3 | 177.6 | 50.6 | -101.3 | 0 | 0 | 0 | 113.1 | Y61 L64 Q65 Q68 I78 A80 V107 L111 | Y61-F109 HydrophobicContact CD1-CZ 4.06Å; Y61-F109 HydrophobicContact CE1-CZ 4.31Å; L64-F109 HydrophobicContact CB-CE1 3.97Å; L64-F109 HydrophobicContact CB-CZ 4.13Å; Q65-F109 HydrophobicContact CB-CE1 4.18Å; Q68-F109 HydrophobicContact CB-CB 4.43Å; Q68-F109 HydrophobicContact CB-CD1 3.9Å; Q68-F109 HydrophobicContact CG-CB 3.85Å; Q68-F109 HydrophobicContact CG-CD1 4.13Å; I78-F109 HydrophobicContact CB-CB 3.77Å; I78-F109 HydrophobicContact CB-CD1 4.02Å; I78-F109 HydrophobicContact CB-CD2 4.09Å; I78-F109 HydrophobicContact CB-CG 3.71Å; I78-F109 HydrophobicContact CD1-CD1 4.01Å; I78-F109 HydrophobicContact CD1-CE1 4.2Å; I78-F109 HydrophobicContact CG2-CB 4.37Å; I78-F109 HydrophobicContact CG2-CD1 4.16Å; I78-F109 HydrophobicContact CG2-CD2 3.72Å; I78-F109 HydrophobicContact CG2-CE1 4.35Å; I78-F109 HydrophobicContact CG2-CE2 3.94Å; I78-F109 HydrophobicContact CG2-CG 3.84Å; I78-F109 HydrophobicContact CG2-CZ 4.23Å; A80-F109 HydrophobicContact CB-CD2 3.97Å; A80-F109 HydrophobicContact CB-CE2 3.61Å; V107-F109 HydrophobicContact CB-CE1 4.31Å; V107-F109 HydrophobicContact CB-CE2 4.44Å; V107-F109 HydrophobicContact CB-CZ 4.18Å; V107-F109 HydrophobicContact CG1-CD1 3.86Å; V107-F109 HydrophobicContact CG1-CD2 3.48Å; V107-F109 VanDerWaalsContact CG1-CD2 3.48Å; V107-F109 HydrophobicContact CG1-CE1 3.76Å; V107-F109 HydrophobicContact CG1-CE2 3.37Å; V107-F109 HydrophobicContact CG1-CG 3.73Å; V107-F109 HydrophobicContact CG1-CZ 3.53Å; V107-F109 HydrophobicContact CG2-CE1 3.86Å; V107-F109 HydrophobicContact CG2-CE2 4.17Å; V107-F109 HydrophobicContact CG2-CZ 3.57Å; F109-L111 PolarHBondContact O-N 3.02Å |
| 110 | P | 97.5 | Very high | 97.9 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | trans | -57.3 | 125.4 | 172.6 | -24.8 | 31.7 | 0 | 0 | 0 | 113.5 | Y40 I78 L79 A80 F112 | Y40-P110 HydrophobicContact CE1-CG 4.07Å; Y40-P110 WeakPolarHBondContact OH-CB 3.24Å; Y40-P110 WeakPolarHBondContact OH-CG 3.33Å; I78-P110 WeakPolarHBondContact O-CD 3.48Å; L79-P110 HydrophobicContact CD2-CG 4.4Å; A80-P110 PolarHBondContact N-O 2.87Å; P110-F112 HydrophobicContact CB-CE2 4.09Å; P110-F112 HydrophobicContact CB-CZ 4.17Å | ||
| 111 | L | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 131.1 | 164.4 | -163.4 | 73.1 | 0 | 0 | 0 | 109.2 | S30 V50 A80 P82 I97 D98 V101 F109 | S30-L111 PolarHBondContact N-O 3.31Å; S30-L111 PolarHBondContact OG-O 3.5Å; V50-L111 HydrophobicContact CG2-CD1 4.24Å; A80-L111 HydrophobicContact CB-CD1 3.71Å; P82-L111 HydrophobicContact CG-CD1 3.86Å; P82-L111 HydrophobicContact CG-CD2 4.28Å; P82-L111 HydrophobicContact CG-CG 4.02Å; I97-L111 HydrophobicContact CG2-CD2 3.96Å; D98-L111 HydrophobicContact CB-CD2 3.88Å; V101-L111 HydrophobicContact CG2-CD2 4.04Å; F109-L111 PolarHBondContact O-N 3.02Å |
| 112 | F | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -96.1 | 171.9 | 177.5 | -64.1 | -79.9 | 0 | 0 | 0 | 112 | V27 V28 N29 V35 L37 Y40 L79 A80 F81 P82 P110 | V27-F112 HydrophobicContact CB-CD1 4.28Å; V27-F112 HydrophobicContact CG2-CD1 3.32Å; V27-F112 HydrophobicContact CG2-CE1 3.27Å; V27-F112 HydrophobicContact CG2-CG 4.18Å; V27-F112 HydrophobicContact CG2-CZ 4.1Å; V28-F112 WeakPolarHBondContact O-CB 3.18Å; N29-F112 HydrophobicContact CB-CD1 4.34Å; V35-F112 HydrophobicContact CG2-CD1 4.31Å; V35-F112 HydrophobicContact CG2-CE1 3.78Å; L37-F112 HydrophobicContact CD2-CE1 4.07Å; L37-F112 HydrophobicContact CD2-CZ 3.76Å; Y40-F112 HydrophobicContact CE2-CZ 4.04Å; L79-F112 HydrophobicContact CB-CE2 3.85Å; L79-F112 HydrophobicContact CD2-CE2 3.98Å; L79-F112 HydrophobicContact CD2-CZ 4.16Å; L79-F112 HydrophobicContact CG-CE2 4.43Å; A80-F112 WeakPolarHBondContact O-CD2 3.43Å; A80-F112 PolarHBondContact O-N 3.43Å; F81-F112 HydrophobicContact CD1-CB 3.54Å; F81-F112 AromaticContact CD1-CD2 3.97Å; F81-F112 HydrophobicContact CD1-CD2 3.97Å; F81-F112 AromaticContact CD1-CG 3.94Å; F81-F112 HydrophobicContact CD1-CG 3.94Å; F81-F112 HydrophobicContact CD2-CD2 4.06Å; F81-F112 HydrophobicContact CE1-CB 3.61Å; F81-F112 HydrophobicContact CE1-CD1 4.23Å; F81-F112 AromaticContact CE1-CD2 3.59Å; F81-F112 HydrophobicContact CE1-CD2 3.59Å; F81-F112 HydrophobicContact CE1-CE2 4.31Å; F81-F112 AromaticContact CE1-CG 3.53Å; F81-F112 HydrophobicContact CE1-CG 3.53Å; F81-F112 AromaticContact CE2-CD2 3.68Å; F81-F112 HydrophobicContact CE2-CD2 3.68Å; F81-F112 AromaticContact CE2-CE2 3.93Å; F81-F112 HydrophobicContact CE2-CE2 3.93Å; F81-F112 HydrophobicContact CE2-CG 4.47Å; F81-F112 HydrophobicContact CG-CB 4.25Å; F81-F112 HydrophobicContact CG-CD2 4.2Å; F81-F112 HydrophobicContact CZ-CB 4.37Å; F81-F112 HydrophobicContact CZ-CD1 4.46Å; F81-F112 AromaticContact CZ-CD2 3.43Å; F81-F112 HydrophobicContact CZ-CD2 3.43Å; F81-F112 VanDerWaalsContact CZ-CD2 3.43Å; F81-F112 AromaticContact CZ-CE2 3.73Å; F81-F112 HydrophobicContact CZ-CE2 3.73Å; F81-F112 AromaticContact CZ-CG 3.83Å; F81-F112 HydrophobicContact CZ-CG 3.83Å; F81-F112 HydrophobicContact CZ-CZ 4.34Å; P82-F112 VanDerWaalsContact CD-O 3.24Å; P82-F112 WeakPolarHBondContact CD-O 3.31Å; P110-F112 HydrophobicContact CB-CE2 4.09Å; P110-F112 HydrophobicContact CB-CZ 4.17Å |
| 113 | S | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 151.2 | 170.3 | -77.4 | 0 | 0 | 0 | 0 | 110.6 | V28 N29 D94 I115 | V28-S113 WeakPolarHBondContact CG1-OG 3.05Å; V28-S113 PolarHBondContact O-N 3.38Å; N29-S113 PolarHBondContact O-OG 2.82Å; D94-S113 VanDerWaalsContact OD2-CA 3.31Å; D94-S113 WeakPolarHBondContact OD2-CA 3.46Å; D94-S113 WeakPolarHBondContact OD2-CB 3.42Å; D94-S113 PolarHBondContact OD2-OG 3.41Å; S113-I115 PolarHBondContact O-N 3.36Å |
| 114 | K | 98.8 | Very high | 97.8 | Very high | 65 Ų | 65 | 39 Ų | 39 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 130.6 | 172.1 | -169.5 | 161.6 | 74.4 | -176.8 | 0 | 110.4 | P82 N84 E90 P91 G92 D94 I97 | P82-K114 HydrophobicContact CB-CB 4.14Å; P82-K114 HydrophobicContact CB-CG 4.2Å; P82-K114 VanDerWaalsContact O-CA 3.29Å; P82-K114 WeakPolarHBondContact O-CA 3.18Å; N84-K114 HydrophobicContact CB-CD 4.13Å; E90-K114 HydrophobicContact CB-CD 4.42Å; E90-K114 HydrophobicContact CG-CD 3.97Å; E90-K114 VanDerWaalsContact O-CD 3.29Å; E90-K114 WeakPolarHBondContact O-CD 2.97Å; E90-K114 PolarHBondContact O-NZ 2.98Å; P91-K114 PolarHBondContact O-NZ 2.88Å; P91-K114 VanDerWaalsContact O-NZ 3.15Å; G92-K114 PolarHBondContact O-NZ 3.01Å; D94-K114 WeakPolarHBondContact OD1-CB 3.34Å; D94-K114 PolarHBondContact OD1-N 2.84Å; I97-K114 HydrophobicContact CD1-CD 4.09Å |
| 115 | I | 98.7 | Very high | 97.9 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 16% | 0.159 | 24% | 0.241 | C | C | . | . | trans | -133.6 | 162.5 | -176.7 | 55.8 | 163.2 | 0 | 0 | 0 | 111.7 | F81 P82 S113 V117 N123 F126 | F81-I115 HydrophobicContact CB-CD1 3.9Å; F81-I115 HydrophobicContact CB-CG1 4.07Å; F81-I115 HydrophobicContact CD1-CD1 3.52Å; F81-I115 HydrophobicContact CD1-CG1 4.14Å; F81-I115 HydrophobicContact CE1-CD1 4.34Å; F81-I115 HydrophobicContact CG-CD1 3.97Å; P82-I115 PolarHBondContact O-N 2.92Å; S113-I115 PolarHBondContact O-N 3.36Å; I115-V117 HydrophobicContact CD1-CG1 3.98Å; I115-V117 HydrophobicContact CG1-CG1 4.06Å; I115-N123 HydrophobicContact CB-CB 4.23Å; I115-N123 HydrophobicContact CD1-CB 3.63Å; I115-N123 HydrophobicContact CG2-CB 4.42Å; I115-F126 HydrophobicContact CD1-CD2 3.53Å; I115-F126 HydrophobicContact CD1-CE2 3.72Å | ||
| 116 | A | 98.7 | Very high | 97.9 | Very high | 30 Ų | 30 | 34.7 Ų | 34.7 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | trans | -80.2 | 137.6 | 158 | 0 | 0 | 0 | 0 | 0 | 109.6 | A122 N123 | A116-A122 WeakPolarHBondContact O-CA 3.38Å; A116-N123 PolarHBondContact O-N 2.89Å | ||
| 117 | V | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | trans | -113.6 | -15.2 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 112.9 | N49 C83 F86 I115 F126 P137 | N49-V117 HydrophobicContact CB-CG1 4.08Å; N49-V117 HydrophobicContact CB-CG2 4.48Å; C83-V117 HydrophobicContact CB-CG1 4.16Å; C83-V117 HydrophobicContact CB-CG2 4.43Å; F86-V117 HydrophobicContact CE2-CG2 3.54Å; F86-V117 HydrophobicContact CZ-CG2 3.72Å; I115-V117 HydrophobicContact CD1-CG1 3.98Å; I115-V117 HydrophobicContact CG1-CG1 4.06Å; V117-F126 HydrophobicContact CB-CB 4.27Å; V117-F126 HydrophobicContact CB-CD1 3.49Å; V117-F126 VanDerWaalsContact CB-CD1 3.49Å; V117-F126 HydrophobicContact CB-CD2 4.42Å; V117-F126 HydrophobicContact CB-CE1 3.84Å; V117-F126 HydrophobicContact CB-CG 3.79Å; V117-F126 HydrophobicContact CB-CZ 4.44Å; V117-F126 HydrophobicContact CG1-CD1 3.68Å; V117-F126 HydrophobicContact CG1-CD2 3.87Å; V117-F126 HydrophobicContact CG1-CE1 3.67Å; V117-F126 HydrophobicContact CG1-CE2 3.88Å; V117-F126 HydrophobicContact CG1-CG 3.75Å; V117-F126 HydrophobicContact CG1-CZ 3.77Å; V117-P137 HydrophobicContact CG2-CB 4.23Å; V117-P137 HydrophobicContact CG2-CG 4.18Å | ||
| 118 | V | 98.1 | Very high | 98 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -126.9 | 159.8 | 174.6 | -62.7 | 0 | 0 | 0 | 0 | 113 | Q85 F86 E136 P137 | Q85-V118 HydrophobicContact CB-CG2 4.45Å; Q85-V118 PolarHBondContact NE2-O 2.81Å; F86-V118 HydrophobicContact CE1-CG2 4.42Å; F86-V118 HydrophobicContact CZ-CG1 4.08Å; F86-V118 HydrophobicContact CZ-CG2 4.28Å; V118-E136 HydrophobicContact CB-CG 4.42Å; V118-E136 HydrophobicContact CG1-CG 3.54Å; V118-P137 HydrophobicContact CG1-CB 4.4Å; V118-P137 VanDerWaalsContact CG1-O 3.22Å; V118-P137 WeakPolarHBondContact CG1-O 3.12Å |
| 119 | G | 96.5 | Very high | 98 | Very high | 45 Ų | 45 | 33.2 Ų | 33.2 | 46% | 0.464 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 79.6 | -176.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G121 A122 | G119-G121 PolarHBondContact O-N 2.84Å; G119-A122 WeakPolarHBondContact O-CB 3.02Å; G119-A122 PolarHBondContact O-N 2.8Å |
| 120 | T | 95 | Very high | 98 | Very high | 141 Ų | 141 | 34.5 Ų | 34.5 | 87% | 0.865 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.5 | -174.3 | 55 | 0 | 0 | 0 | 0 | 113 | A122 K127 | T120-A122 VanDerWaalsContact C-N 3.33Å; T120-K127 PolarHBondContact O-NZ 3.05Å |
| 121 | G | 96 | Very high | 98.1 | Very high | 61 Ų | 61 | 38.9 Ų | 38.9 | 63% | 0.629 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G119 | G119-G121 PolarHBondContact O-N 2.84Š|
| 122 | A | 98.2 | Very high | 98.1 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | trans | -58.1 | 143.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | A116 G119 T120 K127 | A116-A122 WeakPolarHBondContact O-CA 3.38Å; G119-A122 WeakPolarHBondContact O-CB 3.02Å; G119-A122 PolarHBondContact O-N 2.8Å; T120-A122 VanDerWaalsContact C-N 3.33Å; A122-K127 HydrophobicContact CB-CG 3.92Å; A122-K127 WeakPolarHBondContact O-CE 3.38Å; A122-K127 PolarHBondContact O-NZ 2.91Å | ||
| 123 | N | 98.4 | Very high | 98 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | trans | -57.5 | 139.3 | 174.4 | -173 | -75.6 | 0 | 0 | 0 | 110.5 | I115 A116 A125 F126 K127 | I115-N123 HydrophobicContact CB-CB 4.23Å; I115-N123 HydrophobicContact CD1-CB 3.63Å; I115-N123 HydrophobicContact CG2-CB 4.42Å; A116-N123 PolarHBondContact O-N 2.89Å; N123-A125 PolarHBondContact O-N 3.3Å; N123-A125 WeakPolarHBondContact OD1-CB 3.14Å; N123-A125 PolarHBondContact OD1-N 2.85Å; N123-F126 PolarHBondContact O-N 2.92Å; N123-K127 PolarHBondContact O-N 2.97Å | ||
| 124 | N | 98 | Very high | 98 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.9 | -29.5 | -176.2 | -69.7 | -21.6 | 0 | 0 | 0 | 113.6 | F25 Y128 | F25-N124 HydrophobicContact CD1-CB 4.16Å; F25-N124 HydrophobicContact CE1-CB 3.85Å; N124-Y128 PolarHBondContact O-N 2.92Å |
| 125 | A | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L22 F25 V27 N123 Y128 L129 | L22-A125 HydrophobicContact CD1-CB 4.06Å; F25-A125 HydrophobicContact CB-CB 4.19Å; F25-A125 HydrophobicContact CD2-CB 4.17Å; F25-A125 HydrophobicContact CG-CB 4.08Å; V27-A125 HydrophobicContact CG1-CB 4.37Å; N123-A125 PolarHBondContact O-N 3.3Å; N123-A125 WeakPolarHBondContact OD1-CB 3.14Å; N123-A125 PolarHBondContact OD1-N 2.85Å; A125-Y128 WeakPolarHBondContact O-CB 3.31Å; A125-Y128 PolarHBondContact O-N 2.93Å; A125-L129 WeakPolarHBondContact O-CG 3.35Å; A125-L129 PolarHBondContact O-N 3.06Å |
| 126 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.6 | -38.5 | 175.5 | -94.3 | -95.2 | 0 | 0 | 0 | 112.5 | V47 N49 F81 I115 V117 N123 Y128 L129 V130 P137 Y144 | V47-F126 HydrophobicContact CG1-CE2 4.12Å; V47-F126 HydrophobicContact CG1-CZ 4.03Å; N49-F126 HydrophobicContact CB-CE1 4.07Å; N49-F126 HydrophobicContact CB-CZ 3.95Å; F81-F126 HydrophobicContact CB-CE2 3.77Å; F81-F126 HydrophobicContact CB-CZ 4.19Å; F81-F126 HydrophobicContact CD1-CE2 4.3Å; F81-F126 AromaticContact CD2-CE2 3.75Å; F81-F126 HydrophobicContact CD2-CE2 3.75Å; F81-F126 HydrophobicContact CD2-CZ 4.33Å; F81-F126 HydrophobicContact CE2-CE2 4.4Å; F81-F126 AromaticContact CG-CE2 3.68Å; F81-F126 HydrophobicContact CG-CE2 3.68Å; F81-F126 HydrophobicContact CG-CZ 4.43Å; I115-F126 HydrophobicContact CD1-CD2 3.53Å; I115-F126 HydrophobicContact CD1-CE2 3.72Å; V117-F126 HydrophobicContact CB-CB 4.27Å; V117-F126 HydrophobicContact CB-CD1 3.49Å; V117-F126 VanDerWaalsContact CB-CD1 3.49Å; V117-F126 HydrophobicContact CB-CD2 4.42Å; V117-F126 HydrophobicContact CB-CE1 3.84Å; V117-F126 HydrophobicContact CB-CG 3.79Å; V117-F126 HydrophobicContact CB-CZ 4.44Å; V117-F126 HydrophobicContact CG1-CD1 3.68Å; V117-F126 HydrophobicContact CG1-CD2 3.87Å; V117-F126 HydrophobicContact CG1-CE1 3.67Å; V117-F126 HydrophobicContact CG1-CE2 3.88Å; V117-F126 HydrophobicContact CG1-CG 3.75Å; V117-F126 HydrophobicContact CG1-CZ 3.77Å; N123-F126 PolarHBondContact O-N 2.92Å; F126-Y128 PolarHBondContact O-N 3.34Å; F126-L129 HydrophobicContact CD1-CD1 4.26Å; F126-L129 HydrophobicContact CD2-CD1 4.37Å; F126-L129 HydrophobicContact CE1-CD1 4.38Å; F126-L129 HydrophobicContact CE2-CD1 4.46Å; F126-L129 HydrophobicContact CG-CD1 4.29Å; F126-L129 HydrophobicContact CZ-CD1 4.48Å; F126-L129 WeakPolarHBondContact O-CB 3.48Å; F126-L129 PolarHBondContact O-N 3.03Å; F126-V130 WeakPolarHBondContact O-CG2 3.23Å; F126-V130 PolarHBondContact O-N 3.33Å; F126-P137 HydrophobicContact CD1-CG 4.38Å; F126-P137 HydrophobicContact CE1-CG 4.39Å; F126-Y144 HydrophobicContact CE1-CE2 4.08Å |
| 127 | K | 98.4 | Very high | 97.9 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 37% | 0.365 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55 | -42.9 | 171.1 | -70.4 | 178.4 | 174.4 | 165.6 | 0 | 111.5 | T120 A122 N123 V130 E131 | T120-K127 PolarHBondContact O-NZ 3.05Å; A122-K127 HydrophobicContact CB-CG 3.92Å; A122-K127 WeakPolarHBondContact O-CE 3.38Å; A122-K127 PolarHBondContact O-NZ 2.91Å; N123-K127 PolarHBondContact O-N 2.97Å; K127-V130 PolarHBondContact O-N 2.82Å; K127-E131 VanDerWaalsContact O-CB 3.24Å; K127-E131 WeakPolarHBondContact O-CB 3.49Å; K127-E131 PolarHBondContact O-N 2.82Å |
| 128 | Y | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 173.6 | 169.8 | -96.3 | 0 | 0 | 0 | 112.6 | K20 D21 L22 F25 N124 A125 F126 V130 E131 M132 G150 V152 | K20-Y128 HydrophobicContact CD-CD2 4.13Å; K20-Y128 HydrophobicContact CG-CD2 4.03Å; K20-Y128 HydrophobicContact CG-CE2 4.15Å; D21-Y128 WeakPolarHBondContact CA-OH 3.4Å; L22-Y128 HydrophobicContact CB-CD1 4.23Å; L22-Y128 HydrophobicContact CB-CE1 3.92Å; L22-Y128 HydrophobicContact CD1-CD1 4.34Å; F25-Y128 HydrophobicContact CE2-CD1 4.04Å; F25-Y128 HydrophobicContact CE2-CD2 4.24Å; F25-Y128 AromaticContact CE2-CG 3.67Å; F25-Y128 HydrophobicContact CE2-CG 3.67Å; F25-Y128 HydrophobicContact CZ-CG 4.14Å; N124-Y128 PolarHBondContact O-N 2.92Å; A125-Y128 WeakPolarHBondContact O-CB 3.31Å; A125-Y128 PolarHBondContact O-N 2.93Å; F126-Y128 PolarHBondContact O-N 3.34Å; Y128-V130 VanDerWaalsContact C-N 3.29Å; Y128-V130 PolarHBondContact O-N 2.94Å; Y128-E131 PolarHBondContact O-N 3.37Å; Y128-M132 HydrophobicContact CD1-CG 4.43Å; Y128-M132 HydrophobicContact CD2-CG 3.75Å; Y128-M132 HydrophobicContact CD2-SD 4.43Å; Y128-M132 HydrophobicContact CE1-CG 4.03Å; Y128-M132 HydrophobicContact CE2-CG 3.3Å; Y128-M132 HydrophobicContact CE2-SD 3.88Å; Y128-M132 HydrophobicContact CG-CG 4.29Å; Y128-M132 VanDerWaalsContact CZ-CG 3.43Å; Y128-M132 WeakPolarHBondContact O-CB 3.29Å; Y128-M132 WeakPolarHBondContact O-CG 3.5Å; Y128-M132 PolarHBondContact O-N 2.97Å; Y128-G150 PolarHBondContact OH-O 2.89Å; Y128-V152 HydrophobicContact CE1-CG2 4.11Å |
| 129 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 178.5 | -68.9 | 169.1 | 0 | 0 | 0 | 112 | L22 V47 A125 F126 S133 Y144 I146 V152 | L22-L129 HydrophobicContact CD1-CD1 4.44Å; L22-L129 HydrophobicContact CD1-CD2 4.14Å; L22-L129 HydrophobicContact CD1-CG 4.22Å; L22-L129 HydrophobicContact CD2-CD2 4.43Å; V47-L129 HydrophobicContact CB-CD1 4.1Å; V47-L129 HydrophobicContact CG1-CD1 3.67Å; V47-L129 HydrophobicContact CG2-CD1 4.4Å; A125-L129 WeakPolarHBondContact O-CG 3.35Å; A125-L129 PolarHBondContact O-N 3.06Å; F126-L129 HydrophobicContact CD1-CD1 4.26Å; F126-L129 HydrophobicContact CD2-CD1 4.37Å; F126-L129 HydrophobicContact CE1-CD1 4.38Å; F126-L129 HydrophobicContact CE2-CD1 4.46Å; F126-L129 HydrophobicContact CG-CD1 4.29Å; F126-L129 HydrophobicContact CZ-CD1 4.48Å; F126-L129 WeakPolarHBondContact O-CB 3.48Å; F126-L129 PolarHBondContact O-N 3.03Å; L129-S133 WeakPolarHBondContact O-CB 3.29Å; L129-S133 PolarHBondContact O-N 3.29Å; L129-S133 PolarHBondContact O-OG 3.21Å; L129-Y144 HydrophobicContact CB-CD1 3.88Å; L129-Y144 HydrophobicContact CB-CD2 4.43Å; L129-Y144 HydrophobicContact CB-CE1 3.99Å; L129-Y144 HydrophobicContact CB-CG 4.12Å; L129-Y144 HydrophobicContact CD1-CD2 4.06Å; L129-Y144 HydrophobicContact CD1-CG 4.18Å; L129-Y144 HydrophobicContact CD2-CD1 4.31Å; L129-Y144 HydrophobicContact CD2-CG 4.08Å; L129-Y144 HydrophobicContact CG-CG 4.34Å; L129-I146 HydrophobicContact CD2-CD1 3.52Å; L129-V152 HydrophobicContact CD2-CG2 3.81Å |
| 130 | V | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69 | -46 | 177 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | F126 K127 Y128 M132 S133 G134 E136 | F126-V130 WeakPolarHBondContact O-CG2 3.23Å; F126-V130 PolarHBondContact O-N 3.33Å; K127-V130 PolarHBondContact O-N 2.82Å; Y128-V130 VanDerWaalsContact C-N 3.29Å; Y128-V130 PolarHBondContact O-N 2.94Å; V130-M132 VanDerWaalsContact C-N 3.31Å; V130-M132 PolarHBondContact O-N 3.42Å; V130-S133 PolarHBondContact O-N 2.85Å; V130-G134 WeakPolarHBondContact O-CA 3.44Å; V130-G134 PolarHBondContact O-N 3.41Å; V130-E136 HydrophobicContact CG1-CB 3.81Å; V130-E136 HydrophobicContact CG1-CG 4.28Å; V130-E136 HydrophobicContact CG2-CB 4.27Å; V130-E136 HydrophobicContact CG2-CG 4.25Å |
| 131 | E | 97.8 | Very high | 98.2 | Very high | 126 Ų | 126 | 51.3 Ų | 51.3 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.4 | -44.4 | 177.4 | -178.2 | -177.8 | -171.5 | 0 | 0 | 111.5 | K20 K127 Y128 | K20-E131 IonicContact NZ-OE2 3.56Å; K20-E131 PolarHBondContact NZ-OE2 3.12Å; K127-E131 VanDerWaalsContact O-CB 3.24Å; K127-E131 WeakPolarHBondContact O-CB 3.49Å; K127-E131 PolarHBondContact O-N 2.82Å; Y128-E131 PolarHBondContact O-N 3.37Å |
| 132 | M | 98.1 | Very high | 98.3 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 50% | 0.502 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -82.4 | -30.1 | -176.1 | -63.7 | -48.5 | -52.6 | 0 | 0 | 114.3 | Y128 V130 V152 | Y128-M132 HydrophobicContact CD1-CG 4.43Å; Y128-M132 HydrophobicContact CD2-CG 3.75Å; Y128-M132 HydrophobicContact CD2-SD 4.43Å; Y128-M132 HydrophobicContact CE1-CG 4.03Å; Y128-M132 HydrophobicContact CE2-CG 3.3Å; Y128-M132 HydrophobicContact CE2-SD 3.88Å; Y128-M132 HydrophobicContact CG-CG 4.29Å; Y128-M132 VanDerWaalsContact CZ-CG 3.43Å; Y128-M132 WeakPolarHBondContact O-CB 3.29Å; Y128-M132 WeakPolarHBondContact O-CG 3.5Å; Y128-M132 PolarHBondContact O-N 2.97Å; V130-M132 VanDerWaalsContact C-N 3.31Å; V130-M132 PolarHBondContact O-N 3.42Å; M132-V152 HydrophobicContact CB-CB 4.07Å; M132-V152 HydrophobicContact CB-CG2 3.73Å; M132-V152 HydrophobicContact CG-CG2 4.46Å |
| 133 | S | 97.9 | Very high | 98.3 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -90.9 | -22.5 | -179.6 | 64.7 | 0 | 0 | 0 | 0 | 113.4 | L129 V130 K135 Y144 | L129-S133 WeakPolarHBondContact O-CB 3.29Å; L129-S133 PolarHBondContact O-N 3.29Å; L129-S133 PolarHBondContact O-OG 3.21Å; V130-S133 PolarHBondContact O-N 2.85Å; S133-K135 PolarHBondContact O-N 3.44Å; S133-K135 PolarHBondContact OG-N 2.73Å; S133-K135 PolarHBondContact OG-O 2.57Å; S133-Y144 WeakPolarHBondContact OG-CE1 3.34Å |
| 134 | G | 98 | Very high | 98.3 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 67% | 0.67 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 66.6 | 17.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V130 | V130-G134 WeakPolarHBondContact O-CA 3.44Å; V130-G134 PolarHBondContact O-N 3.41Å |
| 135 | K | 97.9 | Very high | 98.4 | Very high | 109 Ų | 109 | 42.5 Ų | 42.5 | 47% | 0.474 | 22% | 0.219 | S | C | . | . | trans | -125.9 | 108.1 | -176.4 | -57 | -64.6 | -177.2 | 179.7 | 0 | 111 | S133 W142 Y144 A155 | S133-K135 PolarHBondContact O-N 3.44Å; S133-K135 PolarHBondContact OG-N 2.73Å; S133-K135 PolarHBondContact OG-O 2.57Å; K135-W142 HydrophobicContact CB-CE3 4.4Å; K135-W142 HydrophobicContact CB-CH2 4.06Å; K135-W142 HydrophobicContact CB-CZ3 3.55Å; K135-W142 HydrophobicContact CG-CZ3 4.21Å; K135-Y144 PolarHBondContact O-OH 3.31Å; K135-A155 HydrophobicContact CB-CB 4.21Å; K135-A155 HydrophobicContact CG-CB 4.23Å | ||
| 136 | E | 98.2 | Very high | 98.4 | Very high | 109 Ų | 109 | 42.4 Ų | 42.4 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | trans | -88.5 | 139.1 | 174.1 | -170.9 | 170.5 | -132.5 | 0 | 0 | 111 | V118 V130 D138 | V118-E136 HydrophobicContact CB-CG 4.42Å; V118-E136 HydrophobicContact CG1-CG 3.54Å; V130-E136 HydrophobicContact CG1-CB 3.81Å; V130-E136 HydrophobicContact CG1-CG 4.28Å; V130-E136 HydrophobicContact CG2-CB 4.27Å; V130-E136 HydrophobicContact CG2-CG 4.25Å; E136-D138 PolarHBondContact O-N 3.02Å | ||
| 137 | P | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | trans | -64.4 | 121.7 | 176.2 | -20.8 | 33.2 | 0 | 0 | 0 | 112.1 | F86 V117 V118 F126 W142 Y144 | F86-P137 WeakPolarHBondContact CE1-O 3.32Å; F86-P137 HydrophobicContact CE2-CB 4.31Å; F86-P137 HydrophobicContact CZ-CB 3.85Å; F86-P137 WeakPolarHBondContact CZ-O 3.46Å; V117-P137 HydrophobicContact CG2-CB 4.23Å; V117-P137 HydrophobicContact CG2-CG 4.18Å; V118-P137 HydrophobicContact CG1-CB 4.4Å; V118-P137 VanDerWaalsContact CG1-O 3.22Å; V118-P137 WeakPolarHBondContact CG1-O 3.12Å; F126-P137 HydrophobicContact CD1-CG 4.38Å; F126-P137 HydrophobicContact CE1-CG 4.39Å; P137-W142 HydrophobicContact CB-CB 4.08Å; P137-W142 HydrophobicContact CB-CD2 4.37Å; P137-W142 HydrophobicContact CB-CG 3.77Å; P137-W142 HydrophobicContact CG-CB 4.22Å; P137-W142 HydrophobicContact CG-CG 4.26Å; P137-Y144 VanDerWaalsContact CD-OH 3.24Å; P137-Y144 WeakPolarHBondContact CD-OH 3.21Å; P137-Y144 HydrophobicContact CG-CE2 4.34Å; P137-Y144 VanDerWaalsContact CG-OH 3.31Å; P137-Y144 WeakPolarHBondContact CG-OH 3.23Å | ||
| 138 | D | 98 | Very high | 98.4 | Very high | 112 Ų | 112 | 41.9 Ų | 41.9 | 60% | 0.599 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -96.4 | -7 | 170.7 | 60.6 | 7.3 | 0 | 0 | 0 | 113.1 | E136 W142 | E136-D138 PolarHBondContact O-N 3.02Å; D138-W142 PolarHBondContact OD1-NE1 3.38Å |
| 139 | W | 98.5 | Very high | 98.3 | Very high | 92 Ų | 92 | 46.2 Ų | 46.2 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -156.3 | -179.7 | -178.4 | -157.1 | -112.7 | 0 | 0 | 0 | 112.6 | N49 F56 F86 P158 | N49-W139 PolarHBondContact ND2-O 3.24Å; F56-W139 AromaticContact CD2-CD1 3.89Å; F56-W139 AromaticContact CD2-NE1 3.84Å; F56-W139 AromaticContact CE2-CD1 3.83Å; F56-W139 AromaticContact CE2-NE1 3.84Å; F86-W139 HydrophobicContact CB-CD2 4.44Å; F86-W139 HydrophobicContact CB-CE3 4.16Å; F86-W139 HydrophobicContact CB-CZ3 4.48Å; F86-W139 WeakPolarHBondContact CE2-O 3.39Å; W139-P158 HydrophobicContact CB-CG 4.06Å; W139-P158 HydrophobicContact CG-CG 4.46Å |
| 140 | N | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 153.6 | 168.5 | -63.8 | -47.5 | 0 | 0 | 0 | 111.2 | A51 C54 F86 Q89 P158 | A51-N140 HydrophobicContact CB-CB 3.89Å; A51-N140 WeakPolarHBondContact CB-ND2 3.34Å; A51-N140 WeakPolarHBondContact CB-OD1 3.46Å; C54-N140 HydrophobicContact CB-CB 4.5Å; F86-N140 WeakPolarHBondContact CD2-OD1 3.38Å; F86-N140 PolarHBondContact O-ND2 3.4Å; Q89-N140 PolarHBondContact OE1-ND2 3.16Å; N140-P158 WeakPolarHBondContact O-CB 3.19Å |
| 141 | F | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 36.1 | 175.8 | -55.2 | -79.5 | 0 | 0 | 0 | 116.3 | V48 N49 V50 A51 C54 F56 H60 Y61 K143 P158 | V48-F141 HydrophobicContact CG1-CD1 4.22Å; N49-F141 WeakPolarHBondContact O-CA 3.49Å; N49-F141 PolarHBondContact O-N 3.27Å; V50-F141 HydrophobicContact CB-CE1 4.06Å; V50-F141 HydrophobicContact CG1-CD1 4.21Å; V50-F141 HydrophobicContact CG1-CE1 3.95Å; A51-F141 HydrophobicContact CB-CE2 4.46Å; A51-F141 WeakPolarHBondContact O-CZ 3.45Å; C54-F141 HydrophobicContact CB-CE2 3.91Å; F56-F141 HydrophobicContact CB-CD2 3.5Å; F56-F141 VanDerWaalsContact CB-CD2 3.5Å; F56-F141 HydrophobicContact CB-CE2 3.81Å; F56-F141 HydrophobicContact CB-CG 4.32Å; H60-F141 HydrophobicContact CB-CD1 3.44Å; H60-F141 VanDerWaalsContact CB-CD1 3.44Å; H60-F141 HydrophobicContact CB-CE1 3.56Å; H60-F141 HydrophobicContact CB-CG 4Å; H60-F141 HydrophobicContact CB-CZ 4.21Å; H60-F141 VanDerWaalsContact CD2-CB 3.49Å; H60-F141 WeakPolarHBondContact CD2-CB 3.35Å; H60-F141 AromaticContact CD2-CD1 3.78Å; H60-F141 AromaticContact CD2-CG 3.74Å; H60-F141 AromaticContact CG-CD1 3.71Å; H60-F141 AromaticContact CG-CG 3.78Å; Y61-F141 HydrophobicContact CD2-CE1 4.37Å; Y61-F141 HydrophobicContact CD2-CZ 4.37Å; Y61-F141 HydrophobicContact CE2-CE1 4.27Å; Y61-F141 HydrophobicContact CE2-CZ 4.19Å; F141-K143 PolarHBondContact O-NZ 3.07Å; F141-P158 HydrophobicContact CB-CB 4.48Å |
| 142 | W | 98.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 10% | 0.095 | 23% | 0.225 | C | C | . | . | trans | -69.2 | 145.7 | 157 | -81.8 | 70.9 | 0 | 0 | 0 | 110.6 | V48 N49 K135 P137 D138 Y144 W156 | V48-W142 VanDerWaalsContact CA-O 3.28Å; V48-W142 WeakPolarHBondContact CA-O 3.38Å; V48-W142 WeakPolarHBondContact CG1-O 3.28Å; N49-W142 PolarHBondContact N-O 3.01Å; N49-W142 WeakPolarHBondContact OD1-CA 3.3Å; N49-W142 WeakPolarHBondContact OD1-CB 3.43Å; N49-W142 PolarHBondContact OD1-N 2.75Å; N49-W142 PolarHBondContact OD1-O 3.22Å; K135-W142 HydrophobicContact CB-CE3 4.4Å; K135-W142 HydrophobicContact CB-CH2 4.06Å; K135-W142 HydrophobicContact CB-CZ3 3.55Å; K135-W142 HydrophobicContact CG-CZ3 4.21Å; P137-W142 HydrophobicContact CB-CB 4.08Å; P137-W142 HydrophobicContact CB-CD2 4.37Å; P137-W142 HydrophobicContact CB-CG 3.77Å; P137-W142 HydrophobicContact CG-CB 4.22Å; P137-W142 HydrophobicContact CG-CG 4.26Å; D138-W142 PolarHBondContact OD1-NE1 3.38Å; W142-Y144 HydrophobicContact CB-CE2 4.11Å; W142-W156 WeakPolarHBondContact CA-O 3.39Å | ||
| 143 | K | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.3 | -170.1 | -56.4 | 161.9 | -167.2 | 78.4 | 0 | 108.5 | L46 V47 V48 H60 F141 A155 W156 G157 V160 V162 L165 | L46-K143 HydrophobicContact CD1-CB 4.16Å; V47-K143 CarbonylContact O-C 3.51Å; V47-K143 WeakPolarHBondContact O-CA 3.31Å; V48-K143 HydrophobicContact CG1-CG 4.37Å; V48-K143 HydrophobicContact CG2-CG 4.29Å; H60-K143 VanDerWaalsContact CD2-CE 3.41Å; H60-K143 WeakPolarHBondContact CD2-CE 3.37Å; H60-K143 PolarHBondContact CD2-NZ 3.49Å; H60-K143 WeakPolarHBondContact NE2-CE 3.49Å; H60-K143 PolarHBondContact NE2-NZ 2.79Å; F141-K143 PolarHBondContact O-NZ 3.07Å; K143-A155 CarbonylContact O-C 3.52Å; K143-A155 WeakPolarHBondContact O-CA 3.22Å; K143-W156 HydrophobicContact CB-CE3 4.28Å; K143-W156 PolarHBondContact N-O 3.18Å; K143-W156 PolarHBondContact O-N 3.15Å; K143-G157 PolarHBondContact NZ-O 2.72Å; K143-V160 WeakPolarHBondContact CE-O 3.18Å; K143-V160 PolarHBondContact NZ-O 3.23Å; K143-V160 VanDerWaalsContact NZ-O 3.09Å; K143-V162 HydrophobicContact CD-CG2 4.18Å; K143-V162 VanDerWaalsContact CE-CG2 3.42Å; K143-L165 HydrophobicContact CB-CD2 4.19Å; K143-L165 HydrophobicContact CD-CD2 3.86Å |
| 144 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.4 | 176.3 | -59 | -96.2 | 0 | 0 | 0 | 109.3 | L46 V47 F126 L129 S133 K135 P137 W142 D154 A155 | L46-Y144 WeakPolarHBondContact CA-O 3.24Å; V47-Y144 PolarHBondContact N-O 3.16Å; V47-Y144 PolarHBondContact O-N 3.32Å; F126-Y144 HydrophobicContact CE1-CE2 4.08Å; L129-Y144 HydrophobicContact CB-CD1 3.88Å; L129-Y144 HydrophobicContact CB-CD2 4.43Å; L129-Y144 HydrophobicContact CB-CE1 3.99Å; L129-Y144 HydrophobicContact CB-CG 4.12Å; L129-Y144 HydrophobicContact CD1-CD2 4.06Å; L129-Y144 HydrophobicContact CD1-CG 4.18Å; L129-Y144 HydrophobicContact CD2-CD1 4.31Å; L129-Y144 HydrophobicContact CD2-CG 4.08Å; L129-Y144 HydrophobicContact CG-CG 4.34Å; S133-Y144 WeakPolarHBondContact OG-CE1 3.34Å; K135-Y144 PolarHBondContact O-OH 3.31Å; P137-Y144 VanDerWaalsContact CD-OH 3.24Å; P137-Y144 WeakPolarHBondContact CD-OH 3.21Å; P137-Y144 HydrophobicContact CG-CE2 4.34Å; P137-Y144 VanDerWaalsContact CG-OH 3.31Å; P137-Y144 WeakPolarHBondContact CG-OH 3.23Å; W142-Y144 HydrophobicContact CB-CE2 4.11Å; Y144-D154 WeakPolarHBondContact CA-O 3.44Å; Y144-A155 HydrophobicContact CD1-CB 3.51Å; Y144-A155 HydrophobicContact CE1-CB 3.71Å; Y144-A155 HydrophobicContact CG-CB 4.32Å |
| 145 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129 | 177.5 | -176.6 | 61.9 | 0 | 0 | 0 | 110 | V44 L46 V153 D154 W156 K168 I169 M172 | V44-L145 HydrophobicContact CG1-CD1 3.51Å; L46-L145 HydrophobicContact CD1-CB 4.35Å; L46-L145 HydrophobicContact CD1-CD1 4.37Å; L145-V153 HydrophobicContact CD2-CB 4.48Å; L145-V153 HydrophobicContact CD2-CG1 4.42Å; L145-V153 HydrophobicContact CG-CB 4.32Å; L145-V153 PolarHBondContact O-N 2.76Å; L145-D154 HydrophobicContact CB-CB 4.38Å; L145-D154 PolarHBondContact N-O 3.15Å; L145-W156 HydrophobicContact CB-CH2 3.93Å; L145-W156 HydrophobicContact CB-CZ3 3.72Å; L145-W156 HydrophobicContact CD2-CH2 3.86Å; L145-W156 HydrophobicContact CD2-CZ3 4.41Å; L145-K168 HydrophobicContact CD2-CD 3.9Å; L145-K168 HydrophobicContact CD2-CG 3.96Å; L145-I169 HydrophobicContact CD1-CG1 3.93Å; L145-M172 HydrophobicContact CD1-SD 4.35Å; L145-M172 HydrophobicContact CD2-SD 3.61Å; L145-M172 HydrophobicContact CG-SD 4.04Å |
| 146 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132 | -172.8 | -44.3 | -63.5 | 0 | 0 | 0 | 108.8 | L22 Y23 V44 S45 V47 L129 G150 K151 V152 | L22-I146 HydrophobicContact CB-CG2 4.3Å; L22-I146 HydrophobicContact CD2-CB 4.34Å; L22-I146 HydrophobicContact CD2-CD1 3.91Å; L22-I146 HydrophobicContact CD2-CG1 3.61Å; L22-I146 HydrophobicContact CD2-CG2 4.02Å; Y23-I146 HydrophobicContact CE1-CG2 4.17Å; Y23-I146 HydrophobicContact CE2-CG2 4.41Å; V44-I146 WeakPolarHBondContact CA-O 3.34Å; V44-I146 WeakPolarHBondContact CG1-O 3.44Å; S45-I146 PolarHBondContact N-O 3.18Å; S45-I146 PolarHBondContact O-N 2.87Å; V47-I146 HydrophobicContact CG2-CD1 4.43Å; V47-I146 HydrophobicContact CG2-CG1 3.88Å; L129-I146 HydrophobicContact CD2-CD1 3.52Å; I146-G150 VanDerWaalsContact CG2-C 3.42Å; I146-G150 VanDerWaalsContact CG2-CA 3.5Å; I146-K151 VanDerWaalsContact CA-O 3.28Å; I146-K151 WeakPolarHBondContact CA-O 3.48Å; I146-K151 WeakPolarHBondContact CG2-O 3.1Å; I146-V152 HydrophobicContact CD1-CB 4.46Å; I146-V152 HydrophobicContact CD1-CG2 3.91Å |
| 147 | D | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 31.2 Ų | 31.2 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | trans | -76.1 | -176.1 | 175.5 | 69.1 | 18.3 | 0 | 0 | 0 | 113 | Y23 D149 G150 K151 V153 M172 | Y23-D147 VanDerWaalsContact CE2-O 3.3Å; Y23-D147 WeakPolarHBondContact CE2-O 3.45Å; Y23-D147 PolarHBondContact OH-O 3Å; D147-D149 PolarHBondContact O-N 2.95Å; D147-D149 WeakPolarHBondContact OD1-CA 3.21Å; D147-D149 PolarHBondContact OD1-N 3.36Å; D147-G150 PolarHBondContact O-N 2.95Å; D147-G150 PolarHBondContact OD1-N 3.46Å; D147-K151 PolarHBondContact N-O 3.24Å; D147-K151 PolarHBondContact OD1-N 2.88Å; D147-K151 WeakPolarHBondContact OD2-CB 3.24Å; D147-V153 HydrophobicContact CB-CG2 3.71Å; D147-M172 HydrophobicContact CB-CE 3.96Å | ||
| 148 | T | 97.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 22% | 0.221 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.7 | -179.7 | 48.8 | 0 | 0 | 0 | 0 | 114.1 | R41 G42 I176 | R41-T148 WeakPolarHBondContact CG-O 3.49Å; G42-T148 PolarHBondContact N-O 2.78Å; T148-I176 HydrophobicContact CG2-CD1 3.42Å; T148-I176 VanDerWaalsContact CG2-CD1 3.42Å; T148-I176 HydrophobicContact CG2-CG1 3.67Å |
| 149 | D | 97.2 | Very high | 98.2 | Very high | 93 Ų | 93 | 31.6 Ų | 31.6 | 50% | 0.497 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 1.5 | -177.4 | -60.5 | -41.1 | 0 | 0 | 0 | 112.3 | D21 R41 D147 | D21-D149 WeakPolarHBondContact CB-O 3.43Å; D21-D149 VanDerWaalsContact CG-O 3.3Å; R41-D149 PolarHBondContact NH1-O 3.23Å; D147-D149 PolarHBondContact O-N 2.95Å; D147-D149 WeakPolarHBondContact OD1-CA 3.21Å; D147-D149 PolarHBondContact OD1-N 3.36Å |
| 150 | G | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 86.3 | 14.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L22 Y23 Y128 I146 D147 | L22-G150 WeakPolarHBondContact CB-O 3.45Å; L22-G150 PolarHBondContact N-O 2.99Å; Y23-G150 VanDerWaalsContact CE2-CA 3.41Å; Y23-G150 VanDerWaalsContact CE2-N 3.31Å; Y128-G150 PolarHBondContact OH-O 2.89Å; I146-G150 VanDerWaalsContact CG2-C 3.42Å; I146-G150 VanDerWaalsContact CG2-CA 3.5Å; D147-G150 PolarHBondContact O-N 2.95Å; D147-G150 PolarHBondContact OD1-N 3.46Å |
| 151 | K | 98.4 | Very high | 98 | Very high | 40 Ų | 40 | 30.8 Ų | 30.8 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | trans | -90.8 | 146.1 | 178.8 | -51.3 | -61 | 176.4 | -176.6 | 0 | 110.9 | K20 D21 I146 D147 V153 | K20-K151 PolarHBondContact O-NZ 2.97Å; D21-K151 HydrophobicContact CB-CD 4.18Å; I146-K151 VanDerWaalsContact CA-O 3.28Å; I146-K151 WeakPolarHBondContact CA-O 3.48Å; I146-K151 WeakPolarHBondContact CG2-O 3.1Å; D147-K151 PolarHBondContact N-O 3.24Å; D147-K151 PolarHBondContact OD1-N 2.88Å; D147-K151 WeakPolarHBondContact OD2-CB 3.24Å; K151-V153 PolarHBondContact O-N 2.66Å | ||
| 152 | V | 98.5 | Very high | 97.9 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.2 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | Y128 L129 M132 I146 | Y128-V152 HydrophobicContact CE1-CG2 4.11Å; L129-V152 HydrophobicContact CD2-CG2 3.81Å; M132-V152 HydrophobicContact CB-CB 4.07Å; M132-V152 HydrophobicContact CB-CG2 3.73Å; M132-V152 HydrophobicContact CG-CG2 4.46Å; I146-V152 HydrophobicContact CD1-CB 4.46Å; I146-V152 HydrophobicContact CD1-CG2 3.91Å |
| 153 | V | 98.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 35% | 0.352 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -37.2 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 111 | L145 D147 K151 M172 | L145-V153 HydrophobicContact CD2-CB 4.48Å; L145-V153 HydrophobicContact CD2-CG1 4.42Å; L145-V153 HydrophobicContact CG-CB 4.32Å; L145-V153 PolarHBondContact O-N 2.76Å; D147-V153 HydrophobicContact CB-CG2 3.71Å; K151-V153 PolarHBondContact O-N 2.66Å; V153-M172 HydrophobicContact CG1-SD 4.46Å; V153-M172 HydrophobicContact CG2-CE 3.89Å |
| 154 | D | 98.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 164.9 | -177 | -145 | -26.4 | 0 | 0 | 0 | 111.6 | Y144 L145 W156 K168 | Y144-D154 WeakPolarHBondContact CA-O 3.44Å; L145-D154 HydrophobicContact CB-CB 4.38Å; L145-D154 PolarHBondContact N-O 3.15Å; D154-W156 HydrophobicContact CB-CH2 3.46Å; D154-W156 VanDerWaalsContact CB-CH2 3.46Å; D154-W156 HydrophobicContact CB-CZ2 3.54Å; D154-W156 HydrophobicContact CB-CZ3 3.99Å; D154-W156 WeakPolarHBondContact OD2-CZ2 3.34Å; D154-K168 IonicContact OD2-NZ 3.96Å; D154-K168 PolarHBondContact OD2-NZ 3.08Å |
| 155 | A | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 42 Ų | 42 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 137.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K135 K143 Y144 | K135-A155 HydrophobicContact CB-CB 4.21Å; K135-A155 HydrophobicContact CG-CB 4.23Å; K143-A155 CarbonylContact O-C 3.52Å; K143-A155 WeakPolarHBondContact O-CA 3.22Å; Y144-A155 HydrophobicContact CD1-CB 3.51Å; Y144-A155 HydrophobicContact CE1-CB 3.71Å; Y144-A155 HydrophobicContact CG-CB 4.32Å |
| 156 | W | 98.7 | Very high | 97.8 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.8 | 179.9 | -52.9 | -89 | 0 | 0 | 0 | 112.2 | L46 W142 K143 L145 D154 V160 L165 K168 | L46-W156 HydrophobicContact CD1-CZ3 4.48Å; W142-W156 WeakPolarHBondContact CA-O 3.39Å; K143-W156 HydrophobicContact CB-CE3 4.28Å; K143-W156 PolarHBondContact N-O 3.18Å; K143-W156 PolarHBondContact O-N 3.15Å; L145-W156 HydrophobicContact CB-CH2 3.93Å; L145-W156 HydrophobicContact CB-CZ3 3.72Å; L145-W156 HydrophobicContact CD2-CH2 3.86Å; L145-W156 HydrophobicContact CD2-CZ3 4.41Å; D154-W156 HydrophobicContact CB-CH2 3.46Å; D154-W156 VanDerWaalsContact CB-CH2 3.46Å; D154-W156 HydrophobicContact CB-CZ2 3.54Å; D154-W156 HydrophobicContact CB-CZ3 3.99Å; D154-W156 WeakPolarHBondContact OD2-CZ2 3.34Å; W156-V160 HydrophobicContact CB-CB 3.9Å; W156-V160 HydrophobicContact CB-CG1 4.25Å; W156-V160 HydrophobicContact CB-CG2 4.05Å; W156-V160 HydrophobicContact CG-CB 4.29Å; W156-V160 HydrophobicContact CG-CG1 4.14Å; W156-V160 HydrophobicContact CG-CG2 4.36Å; W156-L165 HydrophobicContact CD2-CD1 4.08Å; W156-L165 HydrophobicContact CD2-CD2 4.24Å; W156-L165 HydrophobicContact CD2-CG 4.08Å; W156-L165 HydrophobicContact CE3-CD1 4.17Å; W156-L165 HydrophobicContact CE3-CD2 3.49Å; W156-L165 VanDerWaalsContact CE3-CD2 3.49Å; W156-L165 HydrophobicContact CE3-CG 3.76Å; W156-L165 HydrophobicContact CG-CD1 4.41Å; W156-L165 HydrophobicContact CH2-CD2 4.19Å; W156-L165 HydrophobicContact CH2-CG 3.9Å; W156-L165 HydrophobicContact CZ2-CG 4.25Å; W156-L165 HydrophobicContact CZ3-CD2 3.45Å; W156-L165 VanDerWaalsContact CZ3-CD2 3.45Å; W156-L165 HydrophobicContact CZ3-CG 3.65Å; W156-K168 HydrophobicContact CH2-CD 4.23Å; W156-K168 HydrophobicContact CZ2-CD 4.2Å |
| 157 | G | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 13% | 0.134 | 28% | 0.281 | C | S | . | . | trans | -75.1 | -178.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K143 S159 V160 | K143-G157 PolarHBondContact NZ-O 2.72Å; G157-S159 VanDerWaalsContact C-N 3.28Å; G157-S159 PolarHBondContact O-N 3.36Å; G157-V160 PolarHBondContact O-N 2.65Å | ||
| 158 | P | 96.1 | Very high | 97.8 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.2 | -177.1 | 25.2 | -35.6 | 0 | 0 | 0 | 114.7 | F56 W139 N140 F141 V160 | F56-P158 HydrophobicContact CD2-CB 3.97Å; F56-P158 HydrophobicContact CE2-CB 3.82Å; F56-P158 HydrophobicContact CE2-CG 4.31Å; F56-P158 HydrophobicContact CG-CB 4.43Å; F56-P158 HydrophobicContact CZ-CB 4.14Å; W139-P158 HydrophobicContact CB-CG 4.06Å; W139-P158 HydrophobicContact CG-CG 4.46Å; N140-P158 WeakPolarHBondContact O-CB 3.19Å; F141-P158 HydrophobicContact CB-CB 4.48Å; P158-V160 PolarHBondContact O-N 3.04Å |
| 159 | S | 95.3 | Very high | 97.8 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 76% | 0.755 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -20.6 | -177.4 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | G157 | G157-S159 VanDerWaalsContact C-N 3.28Å; G157-S159 PolarHBondContact O-N 3.36Å |
| 160 | V | 97.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -85.1 | 117.6 | 173 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | K143 W156 G157 P158 E164 L165 | K143-V160 WeakPolarHBondContact CE-O 3.18Å; K143-V160 PolarHBondContact NZ-O 3.23Å; K143-V160 VanDerWaalsContact NZ-O 3.09Å; W156-V160 HydrophobicContact CB-CB 3.9Å; W156-V160 HydrophobicContact CB-CG1 4.25Å; W156-V160 HydrophobicContact CB-CG2 4.05Å; W156-V160 HydrophobicContact CG-CB 4.29Å; W156-V160 HydrophobicContact CG-CG1 4.14Å; W156-V160 HydrophobicContact CG-CG2 4.36Å; G157-V160 PolarHBondContact O-N 2.65Å; P158-V160 PolarHBondContact O-N 3.04Å; V160-E164 HydrophobicContact CG1-CB 4.14Å; V160-L165 HydrophobicContact CG1-CD1 3.67Å |
| 161 | S | 95.3 | Very high | 97.9 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | trans | -67.2 | 148.1 | -178.3 | 71 | 0 | 0 | 0 | 0 | 110.9 | K163 E164 L165 | S161-K163 PolarHBondContact O-N 2.87Å; S161-E164 WeakPolarHBondContact CB-OE1 3.21Å; S161-E164 PolarHBondContact N-OE1 3.37Å; S161-E164 WeakPolarHBondContact O-CB 3.26Å; S161-E164 PolarHBondContact O-N 3.48Å; S161-E164 VanDerWaalsContact O-N 3.11Å; S161-E164 WeakPolarHBondContact OG-CG 3.44Å; S161-E164 PolarHBondContact OG-OE1 3.02Å; S161-L165 WeakPolarHBondContact O-CD1 3.47Å | ||
| 162 | V | 97.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -30.1 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | D63 L64 L67 K143 E164 L165 | D63-V162 HydrophobicContact CB-CB 3.55Å; D63-V162 HydrophobicContact CB-CG1 3.7Å; D63-V162 HydrophobicContact CB-CG2 4.28Å; L64-V162 HydrophobicContact CD2-CG1 4.06Å; L64-V162 HydrophobicContact CD2-CG2 4.11Å; L64-V162 HydrophobicContact CG-CG1 4.4Å; L64-V162 HydrophobicContact CG-CG2 4.16Å; L67-V162 HydrophobicContact CD1-CG1 3.28Å; L67-V162 HydrophobicContact CG-CG1 3.97Å; K143-V162 HydrophobicContact CD-CG2 4.18Å; K143-V162 VanDerWaalsContact CE-CG2 3.42Å; V162-E164 VanDerWaalsContact C-N 3.3Å; V162-E164 PolarHBondContact O-N 3.19Å; V162-L165 WeakPolarHBondContact O-CB 3.37Å; V162-L165 PolarHBondContact O-N 2.97Å |
| 163 | K | 97.1 | Very high | 97.8 | Very high | 137 Ų | 137 | 52.2 Ų | 52.2 | 60% | 0.596 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.6 | -37.3 | 175.2 | -69.5 | 172 | -170.2 | 166.1 | 0 | 112.9 | D63 S161 L165 R166 | D63-K163 VanDerWaalsContact CG-CE 3.46Å; D63-K163 WeakPolarHBondContact OD1-CE 3.32Å; D63-K163 IonicContact OD1-NZ 3.4Å; D63-K163 VanDerWaalsContact OD2-CE 3.26Å; D63-K163 WeakPolarHBondContact OD2-CE 3.47Å; D63-K163 WeakPolarHBondContact OD2-CG 3.49Å; S161-K163 PolarHBondContact O-N 2.87Å; K163-L165 PolarHBondContact O-N 3.47Å; K163-R166 VanDerWaalsContact O-CB 3.23Å; K163-R166 WeakPolarHBondContact O-CB 3.41Å; K163-R166 PolarHBondContact O-N 3.01Å; K163-R166 VanDerWaalsContact O-N 3.15Å |
| 164 | E | 98.1 | Very high | 97.8 | Very high | 121 Ų | 121 | 56.3 Ų | 56.3 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.9 | -25.2 | 179.1 | -72.2 | 164.9 | -106.6 | 0 | 0 | 112.8 | V160 S161 V162 R166 P167 | V160-E164 HydrophobicContact CG1-CB 4.14Å; S161-E164 WeakPolarHBondContact CB-OE1 3.21Å; S161-E164 PolarHBondContact N-OE1 3.37Å; S161-E164 WeakPolarHBondContact O-CB 3.26Å; S161-E164 PolarHBondContact O-N 3.48Å; S161-E164 VanDerWaalsContact O-N 3.11Å; S161-E164 WeakPolarHBondContact OG-CG 3.44Å; S161-E164 PolarHBondContact OG-OE1 3.02Å; V162-E164 VanDerWaalsContact C-N 3.3Å; V162-E164 PolarHBondContact O-N 3.19Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-P167 WeakPolarHBondContact O-CD 3.24Å |
| 165 | L | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.1 | -20.5 | 177.4 | -76.6 | 61.2 | 0 | 0 | 0 | 112.2 | L46 K143 W156 V160 S161 V162 K163 K168 I169 | L46-L165 HydrophobicContact CD1-CD2 3.81Å; L46-L165 HydrophobicContact CD2-CD2 4.11Å; K143-L165 HydrophobicContact CB-CD2 4.19Å; K143-L165 HydrophobicContact CD-CD2 3.86Å; W156-L165 HydrophobicContact CD2-CD1 4.08Å; W156-L165 HydrophobicContact CD2-CD2 4.24Å; W156-L165 HydrophobicContact CD2-CG 4.08Å; W156-L165 HydrophobicContact CE3-CD1 4.17Å; W156-L165 HydrophobicContact CE3-CD2 3.49Å; W156-L165 VanDerWaalsContact CE3-CD2 3.49Å; W156-L165 HydrophobicContact CE3-CG 3.76Å; W156-L165 HydrophobicContact CG-CD1 4.41Å; W156-L165 HydrophobicContact CH2-CD2 4.19Å; W156-L165 HydrophobicContact CH2-CG 3.9Å; W156-L165 HydrophobicContact CZ2-CG 4.25Å; W156-L165 HydrophobicContact CZ3-CD2 3.45Å; W156-L165 VanDerWaalsContact CZ3-CD2 3.45Å; W156-L165 HydrophobicContact CZ3-CG 3.65Å; V160-L165 HydrophobicContact CG1-CD1 3.67Å; S161-L165 WeakPolarHBondContact O-CD1 3.47Å; V162-L165 WeakPolarHBondContact O-CB 3.37Å; V162-L165 PolarHBondContact O-N 2.97Å; K163-L165 PolarHBondContact O-N 3.47Å; L165-K168 PolarHBondContact O-N 2.68Å; L165-I169 HydrophobicContact CB-CD1 3.96Å; L165-I169 WeakPolarHBondContact O-CG1 3.37Å; L165-I169 PolarHBondContact O-N 2.99Å; L165-I169 VanDerWaalsContact O-N 3.07Å |
| 166 | R | 98.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 56.7 Ų | 56.7 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.9 | -46.1 | -171.1 | -172.5 | 179.1 | -174.9 | -75.3 | -0.8 | 113.6 | L67 D70 F71 K163 E164 K168 I169 A170 | L67-R166 HydrophobicContact CD2-CB 3.97Å; L67-R166 HydrophobicContact CD2-CG 3.85Å; D70-R166 IonicContact OD2-CZ 2.82Å; D70-R166 IonicContact OD2-NE 2.94Å; D70-R166 PolarHBondContact OD2-NE 3.41Å; D70-R166 VanDerWaalsContact OD2-NE 3.13Å; D70-R166 IonicContact OD2-NH2 3.84Å; D70-R166 PolarHBondContact OD2-NH2 3.49Å; F71-R166 HydrophobicContact CE2-CG 3.99Å; F71-R166 HydrophobicContact CZ-CG 4.09Å; K163-R166 VanDerWaalsContact O-CB 3.23Å; K163-R166 WeakPolarHBondContact O-CB 3.41Å; K163-R166 PolarHBondContact O-N 3.01Å; K163-R166 VanDerWaalsContact O-N 3.15Å; E164-R166 VanDerWaalsContact C-N 3.31Å; R166-K168 PolarHBondContact O-N 2.94Å; R166-I169 PolarHBondContact O-N 3.45Å; R166-A170 VanDerWaalsContact O-CB 3.3Å; R166-A170 WeakPolarHBondContact O-CB 3.49Å; R166-A170 PolarHBondContact O-N 3.49Å |
| 167 | P | 98.5 | Very high | 97.4 | Very high | 91 Ų | 91 | 57.7 Ų | 57.7 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | -179.6 | -24.3 | 36 | 0 | 0 | 0 | 112.8 | E164 A170 E171 | E164-P167 WeakPolarHBondContact O-CD 3.24Å; P167-A170 PolarHBondContact O-N 2.92Å; P167-E171 PolarHBondContact O-N 2.9Å |
| 168 | K | 98.5 | Very high | 97.2 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 178.7 | -173.3 | 170.4 | -179.4 | 168.5 | 0 | 111.6 | L145 D154 W156 L165 R166 E171 M172 | L145-K168 HydrophobicContact CD2-CD 3.9Å; L145-K168 HydrophobicContact CD2-CG 3.96Å; D154-K168 IonicContact OD2-NZ 3.96Å; D154-K168 PolarHBondContact OD2-NZ 3.08Å; W156-K168 HydrophobicContact CH2-CD 4.23Å; W156-K168 HydrophobicContact CZ2-CD 4.2Å; L165-K168 PolarHBondContact O-N 2.68Å; R166-K168 PolarHBondContact O-N 2.94Å; K168-E171 PolarHBondContact O-N 3.42Å; K168-M172 WeakPolarHBondContact O-CG 3.33Å; K168-M172 PolarHBondContact O-N 3.38Å; K168-M172 VanDerWaalsContact O-N 3.11Å |
| 169 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 176.2 | -67.4 | 168.8 | 0 | 0 | 0 | 110.8 | L46 L67 F71 F76 L145 L165 R166 E171 M172 V173 | L46-I169 HydrophobicContact CD2-CD1 4.42Å; L67-I169 HydrophobicContact CD1-CD1 3.79Å; F71-I169 HydrophobicContact CD2-CG2 3.72Å; F71-I169 HydrophobicContact CE2-CG2 3.99Å; F71-I169 HydrophobicContact CG-CG2 4.3Å; F76-I169 HydrophobicContact CD2-CG2 3.7Å; F76-I169 HydrophobicContact CE2-CD1 4.03Å; F76-I169 HydrophobicContact CE2-CG1 4.35Å; F76-I169 HydrophobicContact CE2-CG2 3.71Å; F76-I169 HydrophobicContact CG-CG2 4.26Å; F76-I169 HydrophobicContact CZ-CD1 4.12Å; F76-I169 HydrophobicContact CZ-CG2 4.28Å; L145-I169 HydrophobicContact CD1-CG1 3.93Å; L165-I169 HydrophobicContact CB-CD1 3.96Å; L165-I169 WeakPolarHBondContact O-CG1 3.37Å; L165-I169 PolarHBondContact O-N 2.99Å; L165-I169 VanDerWaalsContact O-N 3.07Å; R166-I169 PolarHBondContact O-N 3.45Å; I169-E171 VanDerWaalsContact C-N 3.3Å; I169-E171 PolarHBondContact O-N 2.65Å; I169-M172 PolarHBondContact O-N 2.88Å; I169-V173 HydrophobicContact CG2-CG2 4.27Å; I169-V173 WeakPolarHBondContact O-CB 3.34Å; I169-V173 WeakPolarHBondContact O-CG2 3.37Å; I169-V173 PolarHBondContact O-N 3.12Å |
| 170 | A | 98.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 66.1 Ų | 66.1 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F71 R166 P167 R174 | F71-A170 HydrophobicContact CE1-CB 3.79Å; F71-A170 HydrophobicContact CZ-CB 3.61Å; R166-A170 VanDerWaalsContact O-CB 3.3Å; R166-A170 WeakPolarHBondContact O-CB 3.49Å; R166-A170 PolarHBondContact O-N 3.49Å; P167-A170 PolarHBondContact O-N 2.92Å; A170-R174 VanDerWaalsContact O-CB 3.29Å; A170-R174 WeakPolarHBondContact O-CB 3.13Å; A170-R174 PolarHBondContact O-N 3.2Å |
| 171 | E | 98.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 71.2 Ų | 71.2 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 175.6 | -176.1 | -178.3 | -175.4 | 0 | 0 | 111.8 | P167 K168 I169 V173 R174 N175 | P167-E171 PolarHBondContact O-N 2.9Å; K168-E171 PolarHBondContact O-N 3.42Å; I169-E171 VanDerWaalsContact C-N 3.3Å; I169-E171 PolarHBondContact O-N 2.65Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.85Å; E171-R174 WeakPolarHBondContact O-CB 3.36Å; E171-R174 PolarHBondContact O-N 3.32Å; E171-N175 PolarHBondContact O-N 3.02Å; E171-N175 PolarHBondContact O-ND2 3.11Å; E171-N175 PolarHBondContact O-OD1 3.03Å |
| 172 | M | 98.4 | Very high | 96.1 | Very high | 33 Ų | 33 | 76.8 Ų | 76.8 | 16% | 0.163 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 179.6 | -68.8 | 178.3 | 68.4 | 0 | 0 | 111.8 | V44 L145 D147 V153 K168 I169 N175 I176 | V44-M172 HydrophobicContact CG1-CE 4.16Å; V44-M172 HydrophobicContact CG1-SD 4.47Å; V44-M172 HydrophobicContact CG2-CB 3.71Å; V44-M172 HydrophobicContact CG2-CE 4.05Å; L145-M172 HydrophobicContact CD1-SD 4.35Å; L145-M172 HydrophobicContact CD2-SD 3.61Å; L145-M172 HydrophobicContact CG-SD 4.04Å; D147-M172 HydrophobicContact CB-CE 3.96Å; V153-M172 HydrophobicContact CG1-SD 4.46Å; V153-M172 HydrophobicContact CG2-CE 3.89Å; K168-M172 WeakPolarHBondContact O-CG 3.33Å; K168-M172 PolarHBondContact O-N 3.38Å; K168-M172 VanDerWaalsContact O-N 3.11Å; I169-M172 PolarHBondContact O-N 2.88Å; M172-N175 PolarHBondContact O-N 3.25Å; M172-I176 WeakPolarHBondContact O-CG1 3.38Å; M172-I176 PolarHBondContact O-N 3.32Å |
| 173 | V | 98.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 84.3 Ų | 84.3 | 6% | 0.055 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175.7 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | V44 F71 H75 F76 I169 E171 N175 I176 I177 | V44-V173 HydrophobicContact CG2-CG2 4.29Å; F71-V173 HydrophobicContact CB-CG2 4.19Å; F71-V173 HydrophobicContact CD1-CB 4.43Å; F71-V173 HydrophobicContact CD1-CG1 4.24Å; F71-V173 HydrophobicContact CD1-CG2 4.45Å; F71-V173 HydrophobicContact CG-CG2 4.4Å; H75-V173 HydrophobicContact CB-CG1 3.83Å; H75-V173 HydrophobicContact CB-CG2 4.48Å; F76-V173 HydrophobicContact CB-CG2 3.96Å; I169-V173 HydrophobicContact CG2-CG2 4.27Å; I169-V173 WeakPolarHBondContact O-CB 3.34Å; I169-V173 WeakPolarHBondContact O-CG2 3.37Å; I169-V173 PolarHBondContact O-N 3.12Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.85Å; V173-N175 VanDerWaalsContact C-N 3.28Å; V173-N175 PolarHBondContact O-N 3.34Å; V173-I176 WeakPolarHBondContact O-CB 3.47Å; V173-I176 PolarHBondContact O-N 3.3Å; V173-I177 HydrophobicContact CG1-CD1 4.26Å; V173-I177 PolarHBondContact O-N 3.31Å |
| 174 | R | 97.7 | Very high | 94.3 | Very high | 143 Ų | 143 | 87.5 Ų | 87.5 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 175.3 | -176 | -172.6 | 69.6 | 153.3 | -0.5 | 111.4 | A170 E171 I176 I177 L178 | A170-R174 VanDerWaalsContact O-CB 3.29Å; A170-R174 WeakPolarHBondContact O-CB 3.13Å; A170-R174 PolarHBondContact O-N 3.2Å; E171-R174 WeakPolarHBondContact O-CB 3.36Å; E171-R174 PolarHBondContact O-N 3.32Å; R174-I176 VanDerWaalsContact C-N 3.29Å; R174-I176 PolarHBondContact O-N 3.43Å; R174-I177 PolarHBondContact O-N 2.81Å; R174-I177 VanDerWaalsContact O-N 3.12Å; R174-L178 HydrophobicContact CG-CD1 4.13Å; R174-L178 HydrophobicContact CG-CG 4.39Å; R174-L178 WeakPolarHBondContact O-CG 3.38Å; R174-L178 PolarHBondContact O-N 2.85Å |
| 175 | N | 97.3 | Very high | 94.1 | Very high | 61 Ų | 61 | 85.9 Ų | 85.9 | 33% | 0.326 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -33.3 | -179.8 | -66.4 | -12.8 | 0 | 0 | 0 | 112.1 | E171 M172 V173 K179 | E171-N175 PolarHBondContact O-N 3.02Å; E171-N175 PolarHBondContact O-ND2 3.11Å; E171-N175 PolarHBondContact O-OD1 3.03Å; M172-N175 PolarHBondContact O-N 3.25Å; V173-N175 VanDerWaalsContact C-N 3.28Å; V173-N175 PolarHBondContact O-N 3.34Å; N175-K179 WeakPolarHBondContact O-CG 3.48Å; N175-K179 PolarHBondContact O-N 2.85Å; N175-K179 VanDerWaalsContact O-N 3.09Å |
| 176 | I | 95.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 90.2 Ų | 90.2 | 8% | 0.082 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 171.8 | -62.7 | 169.3 | 0 | 0 | 0 | 110.6 | V44 H75 T148 M172 V173 R174 K180 | V44-I176 HydrophobicContact CG2-CD1 3.75Å; H75-I176 HydrophobicContact CB-CD1 4.37Å; H75-I176 WeakPolarHBondContact ND1-CG2 3.39Å; T148-I176 HydrophobicContact CG2-CD1 3.42Å; T148-I176 VanDerWaalsContact CG2-CD1 3.42Å; T148-I176 HydrophobicContact CG2-CG1 3.67Å; M172-I176 WeakPolarHBondContact O-CG1 3.38Å; M172-I176 PolarHBondContact O-N 3.32Å; V173-I176 WeakPolarHBondContact O-CB 3.47Å; V173-I176 PolarHBondContact O-N 3.3Å; R174-I176 VanDerWaalsContact C-N 3.29Å; R174-I176 PolarHBondContact O-N 3.43Å; I176-K180 HydrophobicContact CG2-CD 4.48Å; I176-K180 WeakPolarHBondContact O-CG 3.39Å; I176-K180 PolarHBondContact O-N 2.87Å; I176-K180 VanDerWaalsContact O-N 3.11Å |
| 177 | I | 93.8 | Very high | 93.6 | Very high | 66 Ų | 66 | 88.9 Ų | 88.9 | 34% | 0.338 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | -177.9 | -63.8 | 167.3 | 0 | 0 | 0 | 110.8 | V173 R174 K181 | V173-I177 HydrophobicContact CG1-CD1 4.26Å; V173-I177 PolarHBondContact O-N 3.31Å; R174-I177 PolarHBondContact O-N 2.81Å; R174-I177 VanDerWaalsContact O-N 3.12Å; I177-K181 WeakPolarHBondContact O-CG 3.46Å; I177-K181 PolarHBondContact O-N 3.09Å |
| 178 | L | 95.1 | Very high | 93.3 | Very high | 76 Ų | 76 | 88.8 Ų | 88.8 | 40% | 0.398 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 178.6 | -68.6 | 175.1 | 0 | 0 | 0 | 111.8 | R174 K180 K181 E182 | R174-L178 HydrophobicContact CG-CD1 4.13Å; R174-L178 HydrophobicContact CG-CG 4.39Å; R174-L178 WeakPolarHBondContact O-CG 3.38Å; R174-L178 PolarHBondContact O-N 2.85Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-K180 PolarHBondContact O-N 3.27Å; L178-K181 WeakPolarHBondContact O-CB 3.39Å; L178-K181 PolarHBondContact O-N 2.74Å; L178-E182 PolarHBondContact O-N 3.15Å; L178-E182 VanDerWaalsContact O-N 3.12Å |
| 179 | K | 92.8 | Very high | 93 | Very high | 132 Ų | 132 | 90 Ų | 90 | 57% | 0.574 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.5 | -44.9 | 176.3 | -73.9 | -179.8 | 178.1 | -172.5 | 0 | 112.2 | N175 K181 E182 E183 | N175-K179 WeakPolarHBondContact O-CG 3.48Å; N175-K179 PolarHBondContact O-N 2.85Å; N175-K179 VanDerWaalsContact O-N 3.09Å; K179-K181 PolarHBondContact O-N 3.38Å; K179-E182 PolarHBondContact O-N 3.11Å; K179-E182 VanDerWaalsContact O-N 3.11Å; K179-E183 WeakPolarHBondContact O-CG 3.4Å; K179-E183 PolarHBondContact O-N 3.37Å |
| 180 | K | 89.3 | Confident | 92.6 | Very high | 106 Ų | 106 | 96 Ų | 96 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63 | -27.7 | 176.5 | -74.1 | -171.1 | 178.6 | -166.7 | 0 | 113.7 | I176 L178 L184 | I176-K180 HydrophobicContact CG2-CD 4.48Å; I176-K180 WeakPolarHBondContact O-CG 3.39Å; I176-K180 PolarHBondContact O-N 2.87Å; I176-K180 VanDerWaalsContact O-N 3.11Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-K180 PolarHBondContact O-N 3.27Å; K180-L184 WeakPolarHBondContact O-CD1 3.23Å; K180-L184 WeakPolarHBondContact O-CG 3.22Å |
| 181 | K | 89.1 | Confident | 92.2 | Very high | 141 Ų | 141 | 100.9 Ų | 100.9 | 61% | 0.613 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -77 | -29 | 175.2 | -75.7 | -179 | 176.1 | -173.4 | 0 | 112.7 | I177 L178 K179 E183 | I177-K181 WeakPolarHBondContact O-CG 3.46Å; I177-K181 PolarHBondContact O-N 3.09Å; L178-K181 WeakPolarHBondContact O-CB 3.39Å; L178-K181 PolarHBondContact O-N 2.74Å; K179-K181 PolarHBondContact O-N 3.38Å; K181-E183 VanDerWaalsContact C-N 3.33Å |
| 182 | E | 89.7 | Confident | 91.7 | Very high | 158 Ų | 158 | 100.4 Ų | 100.4 | 74% | 0.738 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -75.7 | -24.3 | 176.7 | -68.2 | 171 | 175.8 | 0 | 0 | 112.2 | L178 K179 | L178-E182 PolarHBondContact O-N 3.15Å; L178-E182 VanDerWaalsContact O-N 3.12Å; K179-E182 PolarHBondContact O-N 3.11Å; K179-E182 VanDerWaalsContact O-N 3.11Å |
| 183 | E | 85.3 | Confident | 91.1 | Very high | 160 Ų | 160 | 106 Ų | 106 | 75% | 0.748 | 50% | 0.495 | S | S | * | . | trans | -85.3 | -5.3 | 178 | -68.4 | 170.6 | -179.8 | 0 | 0 | 114.1 | K179 K181 | K179-E183 WeakPolarHBondContact O-CG 3.4Å; K179-E183 PolarHBondContact O-N 3.37Å; K181-E183 VanDerWaalsContact C-N 3.33Å | ||
| 184 | L | 69.7 | Low | 90.5 | Very high | 204 Ų | 204 | 114.8 Ų | 114.8 | 100% | 1.068 | 54% | 0.535 | S | S | * | . | trans | -102.6 | 0 | -179.6 | -73.8 | 169.8 | 0 | 0 | 0 | 111.7 | K180 | K180-L184 WeakPolarHBondContact O-CD1 3.23Å; K180-L184 WeakPolarHBondContact O-CG 3.22Å |
Retrieved 184 of 184 residues in 125.1 ms
(Link to these results)