| 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 | 42.3 | Very low | 51.2 | Low | 239 Ų | 239 | 128 Ų | 128 | 100% | 1.177 | 70% | 0.7 | S | S | * | * | 0 | 80.9 | 0 | -86.1 | 179.2 | 172.8 | 0 | 0 | 105.3 | G3 | M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.34Å | |||
| 2 | D | 43.3 | Very low | 52.5 | Low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 70% | 0.704 | S | S | * | * | trans | -69.2 | 87.9 | -179.8 | -57 | -98.2 | 0 | 0 | 0 | 107.4 | E4 | D2-E4 VanDerWaalsContact C-N 3.28Å; D2-E4 PolarHBondContact O-N 2.8Å | ||
| 3 | G | 47.2 | Very low | 53.5 | Low | 68 Ų | 68 | 122.1 Ų | 122.1 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | -70.9 | 93.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | M1 E5 | M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.34Å; G3-E5 PolarHBondContact O-N 2.95Å | ||
| 4 | E | 44.7 | Very low | 54.3 | Low | 178 Ų | 178 | 118.6 Ų | 118.6 | 83% | 0.832 | 65% | 0.651 | S | S | * | * | trans | -52.7 | 104.3 | 166.9 | -72.3 | 179.8 | 99.2 | 0 | 0 | 107.7 | D2 K6 | D2-E4 VanDerWaalsContact C-N 3.28Å; D2-E4 PolarHBondContact O-N 2.8Å; E4-K6 PolarHBondContact O-N 3.49Å | ||
| 5 | E | 46.2 | Very low | 55.4 | Low | 181 Ų | 181 | 120.7 Ų | 120.7 | 85% | 0.846 | 66% | 0.661 | S | S | * | * | trans | -53.3 | 106.6 | 163.4 | -80 | 174 | 71.1 | 0 | 0 | 106.1 | G3 T7 | G3-E5 PolarHBondContact O-N 2.95Å; E5-T7 PolarHBondContact O-N 2.6Å | ||
| 6 | K | 47.1 | Very low | 56.8 | Low | 165 Ų | 165 | 113.6 Ų | 113.6 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | trans | -62 | 95.6 | 171.1 | -73.5 | -176.7 | -178.5 | 175.6 | 0 | 106.3 | E4 Y8 | E4-K6 PolarHBondContact O-N 3.49Å; K6-Y8 HydrophobicContact CB-CD2 4.4Å; K6-Y8 HydrophobicContact CB-CE2 3.97Å; K6-Y8 WeakPolarHBondContact O-CD2 3.45Å; K6-Y8 WeakPolarHBondContact O-CE2 3.37Å; K6-Y8 PolarHBondContact O-N 3.25Å | ||
| 7 | T | 48.1 | Very low | 58.6 | Low | 123 Ų | 123 | 111.8 Ų | 111.8 | 76% | 0.755 | 61% | 0.611 | S | S | * | * | trans | -63.1 | 93.3 | 164.6 | 47.7 | 0 | 0 | 0 | 0 | 105.6 | E5 G9 | E5-T7 PolarHBondContact O-N 2.6Å; T7-G9 PolarHBondContact O-N 3.44Å | ||
| 8 | Y | 54.9 | Low | 60.2 | Low | 165 Ų | 165 | 107.6 Ų | 107.6 | 65% | 0.647 | 59% | 0.585 | S | S | * | * | trans | -63.4 | 98.5 | 167.2 | -62.1 | -92.7 | 0 | 0 | 0 | 104.3 | K6 Y18 | K6-Y8 HydrophobicContact CB-CD2 4.4Å; K6-Y8 HydrophobicContact CB-CE2 3.97Å; K6-Y8 WeakPolarHBondContact O-CD2 3.45Å; K6-Y8 WeakPolarHBondContact O-CE2 3.37Å; K6-Y8 PolarHBondContact O-N 3.25Å; Y8-Y18 WeakPolarHBondContact CD1-OH 3.27Å | ||
| 9 | G | 60.4 | Low | 61.8 | Low | 31 Ų | 31 | 101.9 Ų | 101.9 | 32% | 0.32 | 55% | 0.554 | S | S | . | * | trans | -48.5 | 147.7 | -180 | 0 | 0 | 0 | 0 | 0 | 110.4 | T7 Y18 | T7-G9 PolarHBondContact O-N 3.44Å; G9-Y18 VanDerWaalsContact O-CD2 3.25Å; G9-Y18 WeakPolarHBondContact O-CD2 3.32Å | ||
| 10 | G | 66.7 | Low | 63.3 | Low | 52 Ų | 52 | 98.5 Ų | 98.5 | 54% | 0.536 | 53% | 0.533 | S | S | . | . | trans | -58.7 | 166.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E12 | G10-E12 VanDerWaalsContact C-N 3.29Š| ||
| 11 | C | 62.8 | Low | 64.8 | Low | 46 Ų | 46 | 93.8 Ų | 93.8 | 31% | 0.311 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -87 | 3.5 | 172.2 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | T57 N58 | C11-T57 VanDerWaalsContact O-O 3.14Å; C11-N58 WeakPolarHBondContact O-CB 3.19Å; C11-N58 PolarHBondContact O-ND2 3.19Å |
| 12 | E | 66.4 | Low | 67.3 | Low | 161 Ų | 161 | 83.7 Ų | 83.7 | 75% | 0.752 | 46% | 0.459 | S | S | * | . | trans | -109.9 | 141.6 | -170.2 | -63.1 | 176.7 | 99.4 | 0 | 0 | 111.7 | G10 | G10-E12 VanDerWaalsContact C-N 3.29Š| ||
| 13 | G | 65.6 | Low | 69.8 | Low | 18 Ų | 18 | 76.2 Ų | 76.2 | 19% | 0.186 | 42% | 0.419 | C | S | . | . | S | Bend | trans | 87.9 | 167.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D15 A16 E56 N58 | G13-D15 PolarHBondContact O-N 3.29Å; G13-A16 VanDerWaalsContact O-CB 3.31Å; G13-A16 WeakPolarHBondContact O-CB 3.34Å; G13-A16 PolarHBondContact O-N 2.87Å; G13-E56 WeakPolarHBondContact CA-O 3.25Å; G13-E56 PolarHBondContact N-O 3.17Å; G13-N58 PolarHBondContact N-ND2 2.96Å; G13-N58 PolarHBondContact O-ND2 2.9Å; G13-N58 PolarHBondContact O-OD1 2.74Å |
| 14 | P | 65.1 | Low | 72.2 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.7 | -172 | 27.3 | -36.4 | 0 | 0 | 0 | 114.3 | R33 | P14-R33 PolarHBondContact O-NH1 2.98Å; P14-R33 PolarHBondContact O-NH2 3.05Å |
| 15 | D | 70.1 | Confident | 74.7 | Confident | 151 Ų | 151 | 71 Ų | 71 | 81% | 0.807 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 13.1 | 178.2 | -63.7 | -69.2 | 0 | 0 | 0 | 112.8 | G13 M17 | G13-D15 PolarHBondContact O-N 3.29Å; D15-M17 PolarHBondContact O-N 2.96Å |
| 16 | A | 78.6 | Confident | 77 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | trans | -56.9 | 132.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | G13 Y18 R33 N58 | G13-A16 VanDerWaalsContact O-CB 3.31Å; G13-A16 WeakPolarHBondContact O-CB 3.34Å; G13-A16 PolarHBondContact O-N 2.87Å; A16-Y18 VanDerWaalsContact C-N 3.29Å; A16-R33 WeakPolarHBondContact O-CD 3.14Å; A16-N58 HydrophobicContact CB-CB 4.28Å; A16-N58 WeakPolarHBondContact CB-ND2 3.49Å | ||
| 17 | M | 86.3 | Confident | 79.3 | Confident | 83 Ų | 83 | 62 Ų | 62 | 41% | 0.409 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -76.7 | -23.2 | 179.7 | -170.7 | 178.1 | -171.4 | 0 | 0 | 111.6 | D15 R33 | D15-M17 PolarHBondContact O-N 2.96Å; M17-R33 WeakPolarHBondContact O-CB 3.48Å; M17-R33 PolarHBondContact O-N 3.23Å |
| 18 | Y | 88.6 | Confident | 81.6 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 14% | 0.141 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152 | -178.3 | -60.4 | -89.4 | 0 | 0 | 0 | 110.8 | Y8 G9 A16 I30 V31 K32 | Y8-Y18 WeakPolarHBondContact CD1-OH 3.27Å; G9-Y18 VanDerWaalsContact O-CD2 3.25Å; G9-Y18 WeakPolarHBondContact O-CD2 3.32Å; A16-Y18 VanDerWaalsContact C-N 3.29Å; Y18-I30 HydrophobicContact CD1-CG2 3.92Å; Y18-I30 HydrophobicContact CG-CG2 3.99Å; Y18-V31 CarbonylContact C-O 3.41Å; Y18-V31 VanDerWaalsContact CA-O 3.25Å; Y18-V31 WeakPolarHBondContact CA-O 3.38Å; Y18-K32 HydrophobicContact CD1-CG 4.13Å; Y18-K32 HydrophobicContact CE1-CG 3.64Å |
| 19 | V | 90.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.3 | 169.2 | -55.7 | 0 | 0 | 0 | 0 | 108.5 | L21 V31 R33 A36 L46 N58 | V19-L21 HydrophobicContact CG2-CD2 4.09Å; V19-V31 HydrophobicContact CG2-CG2 3.5Å; V19-V31 PolarHBondContact N-O 2.99Å; V19-V31 PolarHBondContact O-N 2.81Å; V19-R33 HydrophobicContact CG1-CB 3.81Å; V19-R33 HydrophobicContact CG1-CG 3.65Å; V19-A36 HydrophobicContact CG2-CB 3.49Å; V19-A36 VanDerWaalsContact CG2-CB 3.49Å; V19-L46 HydrophobicContact CB-CD1 4.45Å; V19-L46 HydrophobicContact CG1-CD1 3.81Å; V19-L46 HydrophobicContact CG1-CD2 4.5Å; V19-N58 CarbonylContact C-O 3.56Å; V19-N58 VanDerWaalsContact CA-O 3.3Å; V19-N58 WeakPolarHBondContact CA-O 3.4Å; V19-N58 WeakPolarHBondContact CB-O 3.34Å; V19-N58 HydrophobicContact CG1-CB 4.21Å |
| 20 | K | 92.2 | Very high | 85 | Confident | 33 Ų | 33 | 59 Ų | 59 | 14% | 0.143 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.9 | 176.3 | -176.4 | -169.4 | -68 | -175.9 | 0 | 109.5 | I22 E28 F29 I30 N58 E59 V60 | K20-I22 HydrophobicContact CD-CD1 3.94Å; K20-I22 HydrophobicContact CD-CG1 3.9Å; K20-I22 HydrophobicContact CG-CD1 4.5Å; K20-I22 HydrophobicContact CG-CG1 3.96Å; K20-E28 HydrophobicContact CD-CB 4.31Å; K20-E28 HydrophobicContact CD-CG 4.13Å; K20-E28 WeakPolarHBondContact CD-OE1 3.44Å; K20-E28 VanDerWaalsContact CE-OE1 3.24Å; K20-E28 WeakPolarHBondContact CE-OE1 3.34Å; K20-E28 HydrophobicContact CG-CB 4.21Å; K20-E28 HydrophobicContact CG-CG 4.5Å; K20-E28 IonicContact NZ-OE1 2.71Å; K20-E28 PolarHBondContact NZ-OE1 3.29Å; K20-F29 WeakPolarHBondContact CA-O 3.41Å; K20-I30 HydrophobicContact CB-CD1 3.84Å; K20-I30 HydrophobicContact CG-CD1 3.78Å; K20-N58 PolarHBondContact N-O 3.18Å; K20-E59 HydrophobicContact CB-CB 4.41Å; K20-E59 HydrophobicContact CB-CG 4.08Å; K20-E59 HydrophobicContact CD-CG 4.13Å; K20-E59 VanDerWaalsContact CD-OE1 3.28Å; K20-E59 WeakPolarHBondContact CD-OE1 3.33Å; K20-E59 WeakPolarHBondContact CE-OE1 3.43Å; K20-E59 IonicContact NZ-OE1 2.81Å; K20-E59 PolarHBondContact NZ-OE1 3.34Å; K20-E59 CarbonylContact O-C 3.54Å; K20-E59 VanDerWaalsContact O-CA 3.32Å; K20-E59 WeakPolarHBondContact O-CA 3.27Å; K20-V60 PolarHBondContact O-N 3.14Å |
| 21 | L | 93.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.3 | 173.3 | -51.5 | -177.5 | 0 | 0 | 0 | 108.6 | V19 F29 V31 I42 V60 F62 L70 F77 | V19-L21 HydrophobicContact CG2-CD2 4.09Å; L21-F29 HydrophobicContact CB-CB 4.32Å; L21-F29 PolarHBondContact N-O 2.78Å; L21-F29 PolarHBondContact O-N 2.92Å; L21-V31 HydrophobicContact CD1-CG2 3.82Å; L21-V31 HydrophobicContact CG-CG2 3.96Å; L21-I42 HydrophobicContact CD1-CD1 4.1Å; L21-I42 HydrophobicContact CD2-CD1 4.32Å; L21-I42 HydrophobicContact CD2-CG2 4.4Å; L21-V60 HydrophobicContact CD2-CB 3.87Å; L21-V60 HydrophobicContact CD2-CG2 4.16Å; L21-F62 HydrophobicContact CB-CD2 4.5Å; L21-F62 HydrophobicContact CB-CE2 4.05Å; L21-F62 HydrophobicContact CD1-CE2 4.48Å; L21-F62 HydrophobicContact CD2-CE2 4.08Å; L21-F62 HydrophobicContact CG-CE2 4.41Å; L21-L70 HydrophobicContact CB-CD2 4.11Å; L21-L70 HydrophobicContact CD1-CD1 4.5Å; L21-F77 HydrophobicContact CD1-CE2 3.82Å |
| 22 | I | 95.1 | Very high | 87.5 | Confident | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.138 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.2 | -175.8 | -49.1 | 175.6 | 0 | 0 | 0 | 108 | K20 H27 E28 V60 F62 | K20-I22 HydrophobicContact CD-CD1 3.94Å; K20-I22 HydrophobicContact CD-CG1 3.9Å; K20-I22 HydrophobicContact CG-CD1 4.5Å; K20-I22 HydrophobicContact CG-CG1 3.96Å; I22-H27 WeakPolarHBondContact CA-O 3.5Å; I22-E28 HydrophobicContact CG1-CG 4.33Å; I22-V60 PolarHBondContact N-O 2.79Å; I22-F62 WeakPolarHBondContact O-CB 3.12Å; I22-F62 PolarHBondContact O-N 2.89Å |
| 23 | S | 96.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -77.9 | 168.2 | 176.5 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | D25 G26 H27 F62 I65 | S23-D25 WeakPolarHBondContact CB-OD1 3.47Å; S23-D25 PolarHBondContact O-N 3.39Å; S23-D25 PolarHBondContact OG-OD1 2.75Å; S23-D25 VanDerWaalsContact OG-OD1 3.05Å; S23-G26 PolarHBondContact O-N 2.9Å; S23-H27 PolarHBondContact N-O 3.27Å; S23-H27 WeakPolarHBondContact OG-CA 3.24Å; S23-H27 VanDerWaalsContact OG-CB 3.27Å; S23-H27 WeakPolarHBondContact OG-CB 3.2Å; S23-H27 PolarHBondContact OG-N 3.05Å; S23-H27 PolarHBondContact OG-O 3.33Å; S23-F62 CarbonylContact C-O 3.52Å; S23-I65 WeakPolarHBondContact CA-O 3.47Å; S23-I65 WeakPolarHBondContact CB-O 3.27Å | ||
| 24 | S | 97 | Very high | 89.7 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27 | -178.6 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | G26 F62 R63 I65 P66 | S24-G26 VanDerWaalsContact C-N 3.34Å; S24-F62 VanDerWaalsContact CA-O 3.27Å; S24-F62 WeakPolarHBondContact CA-O 3.26Å; S24-F62 WeakPolarHBondContact CB-O 3.39Å; S24-F62 PolarHBondContact N-O 2.92Å; S24-R63 VanDerWaalsContact CB-C 3.49Å; S24-R63 WeakPolarHBondContact CB-O 3.48Å; S24-I65 PolarHBondContact N-O 2.81Å; S24-I65 PolarHBondContact OG-O 2.71Å; S24-P66 WeakPolarHBondContact OG-CA 3.46Å |
| 25 | D | 96.8 | Very high | 90.9 | Very high | 78 Ų | 78 | 56 Ų | 56 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 9.9 | 174.6 | 59.5 | -49.8 | 0 | 0 | 0 | 113.1 | S23 H27 S67 | S23-D25 WeakPolarHBondContact CB-OD1 3.47Å; S23-D25 PolarHBondContact O-N 3.39Å; S23-D25 PolarHBondContact OG-OD1 2.75Å; S23-D25 VanDerWaalsContact OG-OD1 3.05Å; D25-H27 IonicContact OD2-CE1 3.34Å; D25-H27 PolarHBondContact OD2-CE1 2.81Å; D25-H27 IonicContact OD2-CG 3.99Å; D25-H27 IonicContact OD2-ND1 2.8Å; D25-H27 PolarHBondContact OD2-ND1 3.03Å; D25-S67 WeakPolarHBondContact OD1-CB 3.21Å; D25-S67 PolarHBondContact OD1-N 2.91Å; D25-S67 PolarHBondContact OD1-OG 2.76Å; D25-S67 WeakPolarHBondContact OD2-CB 3.36Å; D25-S67 PolarHBondContact OD2-OG 2.85Å |
| 26 | G | 94.4 | Very high | 91.8 | Very high | 49 Ų | 49 | 48.8 Ų | 48.8 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | trans | 85.2 | 4.1 | 170 | 0 | 0 | 0 | 0 | 0 | 115.7 | S23 S24 E28 | S23-G26 PolarHBondContact O-N 2.9Å; S24-G26 VanDerWaalsContact C-N 3.34Å; G26-E28 PolarHBondContact O-N 2.99Å | ||
| 27 | H | 96.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 51.1 Ų | 51.1 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | trans | -70.2 | 132.4 | 172.1 | -70 | 81.7 | 0 | 0 | 0 | 110.9 | I22 S23 D25 F29 S67 | I22-H27 WeakPolarHBondContact CA-O 3.5Å; S23-H27 PolarHBondContact N-O 3.27Å; S23-H27 WeakPolarHBondContact OG-CA 3.24Å; S23-H27 VanDerWaalsContact OG-CB 3.27Å; S23-H27 WeakPolarHBondContact OG-CB 3.2Å; S23-H27 PolarHBondContact OG-N 3.05Å; S23-H27 PolarHBondContact OG-O 3.33Å; D25-H27 IonicContact OD2-CE1 3.34Å; D25-H27 PolarHBondContact OD2-CE1 2.81Å; D25-H27 IonicContact OD2-CG 3.99Å; D25-H27 IonicContact OD2-ND1 2.8Å; D25-H27 PolarHBondContact OD2-ND1 3.03Å; H27-F29 HydrophobicContact CB-CE2 3.81Å; H27-F29 HydrophobicContact CB-CZ 4.24Å; H27-S67 WeakPolarHBondContact ND1-CB 3.45Å | ||
| 28 | E | 95.4 | Very high | 92.3 | Very high | 119 Ų | 119 | 50 Ų | 50 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.3 | 178.4 | -59.5 | 175.2 | 106.9 | 0 | 0 | 110.4 | K20 I22 G26 | K20-E28 HydrophobicContact CD-CB 4.31Å; K20-E28 HydrophobicContact CD-CG 4.13Å; K20-E28 WeakPolarHBondContact CD-OE1 3.44Å; K20-E28 VanDerWaalsContact CE-OE1 3.24Å; K20-E28 WeakPolarHBondContact CE-OE1 3.34Å; K20-E28 HydrophobicContact CG-CB 4.21Å; K20-E28 HydrophobicContact CG-CG 4.5Å; K20-E28 IonicContact NZ-OE1 2.71Å; K20-E28 PolarHBondContact NZ-OE1 3.29Å; I22-E28 HydrophobicContact CG1-CG 4.33Å; G26-E28 PolarHBondContact O-N 2.99Å |
| 29 | F | 94.4 | Very high | 92.2 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.6 | 176.7 | -62.3 | -95.3 | 0 | 0 | 0 | 109.3 | K20 L21 H27 S67 L70 | K20-F29 WeakPolarHBondContact CA-O 3.41Å; L21-F29 HydrophobicContact CB-CB 4.32Å; L21-F29 PolarHBondContact N-O 2.78Å; L21-F29 PolarHBondContact O-N 2.92Å; H27-F29 HydrophobicContact CB-CE2 3.81Å; H27-F29 HydrophobicContact CB-CZ 4.24Å; F29-S67 WeakPolarHBondContact CZ-O 3.49Å; F29-L70 HydrophobicContact CD2-CB 4.37Å; F29-L70 HydrophobicContact CD2-CD2 3.58Å; F29-L70 HydrophobicContact CD2-CG 3.86Å; F29-L70 HydrophobicContact CE2-CB 3.99Å; F29-L70 HydrophobicContact CE2-CD2 3.84Å; F29-L70 HydrophobicContact CE2-CG 4Å; F29-L70 HydrophobicContact CG-CG 4.5Å; F29-L70 HydrophobicContact CZ-CB 4.45Å |
| 30 | I | 92.7 | Very high | 92 | Very high | 96 Ų | 96 | 52.4 Ų | 52.4 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.2 | 175.9 | -53.1 | -58.2 | 0 | 0 | 0 | 108.7 | Y18 K20 | Y18-I30 HydrophobicContact CD1-CG2 3.92Å; Y18-I30 HydrophobicContact CG-CG2 3.99Å; K20-I30 HydrophobicContact CB-CD1 3.84Å; K20-I30 HydrophobicContact CG-CD1 3.78Å |
| 31 | V | 91.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 13% | 0.127 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 150.1 | -177.8 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | Y18 V19 L21 R33 A36 C74 | Y18-V31 CarbonylContact C-O 3.41Å; Y18-V31 VanDerWaalsContact CA-O 3.25Å; Y18-V31 WeakPolarHBondContact CA-O 3.38Å; V19-V31 HydrophobicContact CG2-CG2 3.5Å; V19-V31 PolarHBondContact N-O 2.99Å; V19-V31 PolarHBondContact O-N 2.81Å; L21-V31 HydrophobicContact CD1-CG2 3.82Å; L21-V31 HydrophobicContact CG-CG2 3.96Å; V31-R33 PolarHBondContact O-N 3.31Å; V31-A36 HydrophobicContact CG2-CB 3.9Å; V31-C74 HydrophobicContact CG1-CB 4Å |
| 32 | K | 90.4 | Very high | 91.4 | Very high | 78 Ų | 78 | 55.3 Ų | 55.3 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 132.5 | 174.4 | -72.7 | -174.9 | 171.7 | -168.6 | 0 | 109.6 | Y18 E34 H35 A36 | Y18-K32 HydrophobicContact CD1-CG 4.13Å; Y18-K32 HydrophobicContact CE1-CG 3.64Å; K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 HydrophobicContact CB-CG 4.23Å; K32-E34 PolarHBondContact O-N 2.84Å; K32-H35 HydrophobicContact CB-CB 4.35Å; K32-H35 WeakPolarHBondContact O-CB 3.49Å; K32-H35 PolarHBondContact O-N 2.86Å; K32-A36 PolarHBondContact O-N 3.47Å; K32-A36 VanDerWaalsContact O-N 3.1Å |
| 33 | R | 88.8 | Confident | 91 | Very high | 47 Ų | 47 | 59.7 Ų | 59.7 | 18% | 0.177 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55 | -45.3 | -179.9 | -173.9 | 169.2 | -174.9 | -151.9 | 11.7 | 111.5 | P14 A16 M17 V19 V31 H35 A36 L37 | P14-R33 PolarHBondContact O-NH1 2.98Å; P14-R33 PolarHBondContact O-NH2 3.05Å; A16-R33 WeakPolarHBondContact O-CD 3.14Å; M17-R33 WeakPolarHBondContact O-CB 3.48Å; M17-R33 PolarHBondContact O-N 3.23Å; V19-R33 HydrophobicContact CG1-CB 3.81Å; V19-R33 HydrophobicContact CG1-CG 3.65Å; V31-R33 PolarHBondContact O-N 3.31Å; R33-H35 PolarHBondContact O-N 3.07Å; R33-H35 VanDerWaalsContact O-N 3.17Å; R33-A36 PolarHBondContact O-N 3.48Å; R33-L37 HydrophobicContact CG-CD1 3.84Å; R33-L37 HydrophobicContact CG-CG 4.13Å; R33-L37 WeakPolarHBondContact O-CB 3.28Å; R33-L37 VanDerWaalsContact O-CG 3.22Å; R33-L37 WeakPolarHBondContact O-CG 3.3Å; R33-L37 PolarHBondContact O-N 2.82Å |
| 34 | E | 88.8 | Confident | 90.5 | Very high | 113 Ų | 113 | 62.4 Ų | 62.4 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.6 | -34.1 | 178.2 | 80.3 | -171.7 | 86.7 | 0 | 0 | 112.4 | K32 | K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 HydrophobicContact CB-CG 4.23Å; K32-E34 PolarHBondContact O-N 2.84Å |
| 35 | H | 90.8 | Very high | 89.9 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 13% | 0.125 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -76.8 | -45.4 | 179.5 | -67.6 | 32.5 | 0 | 0 | 0 | 110.6 | K32 R33 L37 T38 F77 V81 | K32-H35 HydrophobicContact CB-CB 4.35Å; K32-H35 WeakPolarHBondContact O-CB 3.49Å; K32-H35 PolarHBondContact O-N 2.86Å; R33-H35 PolarHBondContact O-N 3.07Å; R33-H35 VanDerWaalsContact O-N 3.17Å; H35-L37 VanDerWaalsContact C-N 3.29Å; H35-L37 PolarHBondContact O-N 3.26Å; H35-T38 WeakPolarHBondContact O-CB 3.35Å; H35-T38 PolarHBondContact O-N 2.87Å; H35-T38 VanDerWaalsContact O-N 3.13Å; H35-T38 PolarHBondContact O-OG1 3.07Å; H35-F77 HydrophobicContact CB-CB 4.08Å; H35-V81 HydrophobicContact CB-CG2 4.26Å |
| 36 | A | 89.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -37 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V19 V31 K32 R33 T38 S39 I42 | V19-A36 HydrophobicContact CG2-CB 3.49Å; V19-A36 VanDerWaalsContact CG2-CB 3.49Å; V31-A36 HydrophobicContact CG2-CB 3.9Å; K32-A36 PolarHBondContact O-N 3.47Å; K32-A36 VanDerWaalsContact O-N 3.1Å; R33-A36 PolarHBondContact O-N 3.48Å; A36-T38 PolarHBondContact O-N 3.17Å; A36-T38 VanDerWaalsContact O-N 3.15Å; A36-S39 WeakPolarHBondContact O-CB 3.19Å; A36-S39 PolarHBondContact O-N 2.88Å; A36-I42 HydrophobicContact CB-CG2 4.09Å |
| 37 | L | 87.6 | Confident | 88.3 | Confident | 57 Ų | 57 | 60 Ų | 60 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -8.9 | 177.5 | -68.8 | 178.9 | 0 | 0 | 0 | 114.1 | R33 H35 S39 K43 L46 | R33-L37 HydrophobicContact CG-CD1 3.84Å; R33-L37 HydrophobicContact CG-CG 4.13Å; R33-L37 WeakPolarHBondContact O-CB 3.28Å; R33-L37 VanDerWaalsContact O-CG 3.22Å; R33-L37 WeakPolarHBondContact O-CG 3.3Å; R33-L37 PolarHBondContact O-N 2.82Å; H35-L37 VanDerWaalsContact C-N 3.29Å; H35-L37 PolarHBondContact O-N 3.26Å; L37-S39 PolarHBondContact O-N 2.63Å; L37-K43 HydrophobicContact CD2-CB 3.8Å; L37-K43 HydrophobicContact CD2-CG 3.94Å; L37-L46 HydrophobicContact CD2-CD1 4.11Å |
| 38 | T | 87.1 | Confident | 87 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 37% | 0.368 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.6 | 167.1 | -41.4 | 0 | 0 | 0 | 0 | 111.2 | H35 A36 K80 V81 | H35-T38 WeakPolarHBondContact O-CB 3.35Å; H35-T38 PolarHBondContact O-N 2.87Å; H35-T38 VanDerWaalsContact O-N 3.13Å; H35-T38 PolarHBondContact O-OG1 3.07Å; A36-T38 PolarHBondContact O-N 3.17Å; A36-T38 VanDerWaalsContact O-N 3.15Å; T38-K80 HydrophobicContact CG2-CB 4.33Å; T38-K80 HydrophobicContact CG2-CG 3.63Å; T38-V81 WeakPolarHBondContact OG1-CG2 3.37Å |
| 39 | S | 85.9 | Confident | 85.3 | Confident | 30 Ų | 30 | 57 Ų | 57 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -83.7 | 116.4 | 171.2 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | A36 L37 T41 I42 K43 | A36-S39 WeakPolarHBondContact O-CB 3.19Å; A36-S39 PolarHBondContact O-N 2.88Å; L37-S39 PolarHBondContact O-N 2.63Å; S39-T41 PolarHBondContact O-N 3.26Å; S39-I42 PolarHBondContact O-N 3.41Å; S39-I42 PolarHBondContact OG-N 3.32Å; S39-K43 WeakPolarHBondContact O-CB 3.46Å; S39-K43 PolarHBondContact O-N 3.01Å |
| 40 | G | 85.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 57.8 Ų | 57.8 | 58% | 0.577 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K43 A44 | G40-K43 PolarHBondContact O-N 3Å; G40-A44 WeakPolarHBondContact O-CB 3.42Å; G40-A44 PolarHBondContact O-N 3.04Å |
| 41 | T | 86.9 | Confident | 82.4 | Confident | 90 Ų | 90 | 56 Ų | 56 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.9 | -46.4 | 177.1 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | S39 K43 A44 M45 | S39-T41 PolarHBondContact O-N 3.26Å; T41-K43 VanDerWaalsContact C-N 3.33Å; T41-K43 PolarHBondContact O-N 2.78Å; T41-A44 PolarHBondContact O-N 3.42Å; T41-M45 HydrophobicContact CG2-CE 3.96Å; T41-M45 HydrophobicContact CG2-SD 4.24Å; T41-M45 WeakPolarHBondContact O-CG 3.43Å; T41-M45 PolarHBondContact O-N 3.23Å |
| 42 | I | 87.7 | Confident | 81 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 178.8 | -64.4 | 179.9 | 0 | 0 | 0 | 110.6 | L21 A36 S39 A44 M45 L46 V60 F62 F77 | L21-I42 HydrophobicContact CD1-CD1 4.1Å; L21-I42 HydrophobicContact CD2-CD1 4.32Å; L21-I42 HydrophobicContact CD2-CG2 4.4Å; A36-I42 HydrophobicContact CB-CG2 4.09Å; S39-I42 PolarHBondContact O-N 3.41Å; S39-I42 PolarHBondContact OG-N 3.32Å; I42-A44 VanDerWaalsContact C-N 3.29Å; I42-A44 PolarHBondContact O-N 3.33Å; I42-M45 PolarHBondContact O-N 2.85Å; I42-L46 HydrophobicContact CG2-CD1 3.75Å; I42-L46 HydrophobicContact CG2-CG 4.29Å; I42-L46 WeakPolarHBondContact O-CG 3.42Å; I42-L46 PolarHBondContact O-N 3.06Å; I42-V60 HydrophobicContact CG2-CG2 4.42Å; I42-F62 HydrophobicContact CD1-CZ 4.12Å; I42-F62 HydrophobicContact CG1-CZ 4.02Å; I42-F77 HydrophobicContact CD1-CE1 4.28Å; I42-F77 HydrophobicContact CD1-CE2 3.63Å; I42-F77 HydrophobicContact CD1-CZ 3.28Å |
| 43 | K | 86.6 | Confident | 79.5 | Confident | 118 Ų | 118 | 62.6 Ų | 62.6 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 172.7 | -179.6 | 172.4 | -177.6 | 179.9 | 0 | 112 | L37 S39 G40 T41 L46 S47 | L37-K43 HydrophobicContact CD2-CB 3.8Å; L37-K43 HydrophobicContact CD2-CG 3.94Å; S39-K43 WeakPolarHBondContact O-CB 3.46Å; S39-K43 PolarHBondContact O-N 3.01Å; G40-K43 PolarHBondContact O-N 3Å; T41-K43 VanDerWaalsContact C-N 3.33Å; T41-K43 PolarHBondContact O-N 2.78Å; K43-L46 PolarHBondContact O-N 2.77Å; K43-S47 WeakPolarHBondContact O-CB 3.32Å; K43-S47 PolarHBondContact O-N 3.27Å |
| 44 | A | 85.2 | Confident | 78.3 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 50% | 0.504 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.7 | -36 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G40 T41 I42 G48 | G40-A44 WeakPolarHBondContact O-CB 3.42Å; G40-A44 PolarHBondContact O-N 3.04Å; T41-A44 PolarHBondContact O-N 3.42Å; I42-A44 VanDerWaalsContact C-N 3.29Å; I42-A44 PolarHBondContact O-N 3.33Å; A44-G48 WeakPolarHBondContact O-CA 3.16Å; A44-G48 PolarHBondContact O-N 3.31Å |
| 45 | M | 84.7 | Confident | 77.1 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.7 | -26 | 175.7 | -70.1 | 172.1 | 166.9 | 0 | 0 | 113.6 | T41 I42 Q51 V60 F62 | T41-M45 HydrophobicContact CG2-CE 3.96Å; T41-M45 HydrophobicContact CG2-SD 4.24Å; T41-M45 WeakPolarHBondContact O-CG 3.43Å; T41-M45 PolarHBondContact O-N 3.23Å; I42-M45 PolarHBondContact O-N 2.85Å; M45-Q51 VanDerWaalsContact C-OE1 3.27Å; M45-Q51 PolarHBondContact O-OE1 2.86Å; M45-V60 HydrophobicContact CB-CG1 4.22Å; M45-V60 HydrophobicContact CB-CG2 4.39Å; M45-V60 HydrophobicContact SD-CG1 3.65Å; M45-F62 HydrophobicContact SD-CE1 4.14Å |
| 46 | L | 81.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -91.9 | -21.4 | 177.8 | -71.6 | 170.2 | 0 | 0 | 0 | 113.2 | V19 L37 I42 K43 N55 V60 | V19-L46 HydrophobicContact CB-CD1 4.45Å; V19-L46 HydrophobicContact CG1-CD1 3.81Å; V19-L46 HydrophobicContact CG1-CD2 4.5Å; L37-L46 HydrophobicContact CD2-CD1 4.11Å; I42-L46 HydrophobicContact CG2-CD1 3.75Å; I42-L46 HydrophobicContact CG2-CG 4.29Å; I42-L46 WeakPolarHBondContact O-CG 3.42Å; I42-L46 PolarHBondContact O-N 3.06Å; K43-L46 PolarHBondContact O-N 2.77Å; L46-N55 PolarHBondContact O-OD1 2.93Å; L46-V60 HydrophobicContact CD2-CG2 3.6Å; L46-V60 HydrophobicContact CG-CG2 3.83Å |
| 47 | S | 76.2 | Confident | 75 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -129.2 | 13.8 | -172 | -54.3 | 0 | 0 | 0 | 0 | 113.5 | K43 | K43-S47 WeakPolarHBondContact O-CB 3.32Å; K43-S47 PolarHBondContact O-N 3.27Å |
| 48 | G | 69.9 | Low | 74.7 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 19% | 0.186 | 40% | 0.403 | C | S | . | . | trans | -70.4 | 146.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | A44 G50 Q51 | A44-G48 WeakPolarHBondContact O-CA 3.16Å; A44-G48 PolarHBondContact O-N 3.31Å; G48-G50 PolarHBondContact O-N 3.17Å; G48-Q51 PolarHBondContact O-N 2.85Å; G48-Q51 VanDerWaalsContact O-N 3.14Å | ||
| 49 | P | 59.9 | Low | 74.8 | Confident | 142 Ų | 142 | 66 Ų | 66 | 92% | 0.922 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 122.1 | 176.1 | 25.2 | -32 | 0 | 0 | 0 | 110.3 | ||
| 50 | G | 63.6 | Low | 75 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 62% | 0.619 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.5 | -4.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G48 F52 | G48-G50 PolarHBondContact O-N 3.17Å; G50-F52 PolarHBondContact O-N 3.15Å |
| 51 | Q | 63.7 | Low | 75.3 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | trans | -100.9 | 48.3 | 179.1 | -69.1 | -170 | -50.5 | 0 | 0 | 112.6 | M45 G48 A53 E54 N55 | M45-Q51 VanDerWaalsContact C-OE1 3.27Å; M45-Q51 PolarHBondContact O-OE1 2.86Å; G48-Q51 PolarHBondContact O-N 2.85Å; G48-Q51 VanDerWaalsContact O-N 3.14Å; Q51-A53 VanDerWaalsContact C-N 3.26Å; Q51-A53 PolarHBondContact O-N 3.44Å; Q51-E54 HydrophobicContact CB-CB 4.28Å; Q51-E54 WeakPolarHBondContact CG-OE2 3.4Å; Q51-E54 VanDerWaalsContact NE2-CD 3.25Å; Q51-E54 PolarHBondContact NE2-OE1 3.18Å; Q51-E54 PolarHBondContact NE2-OE2 3.14Å; Q51-E54 PolarHBondContact O-N 2.88Å; Q51-N55 PolarHBondContact O-N 3.44Å; Q51-N55 VanDerWaalsContact O-N 3.15Å | ||
| 52 | F | 60.1 | Low | 75.5 | Confident | 166 Ų | 166 | 63.2 Ų | 63.2 | 73% | 0.728 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.2 | -39 | 177.1 | -64.8 | -84.2 | 0 | 0 | 0 | 112 | G50 N55 E56 | G50-F52 PolarHBondContact O-N 3.15Å; F52-N55 PolarHBondContact O-N 3.22Å; F52-E56 PolarHBondContact O-N 3.39Å; F52-E56 VanDerWaalsContact O-N 3.14Å |
| 53 | A | 60.5 | Low | 75.8 | Confident | 70 Ų | 70 | 73.3 Ų | 73.3 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q51 E56 T57 | Q51-A53 VanDerWaalsContact C-N 3.26Å; Q51-A53 PolarHBondContact O-N 3.44Å; A53-E56 PolarHBondContact O-N 3.41Å; A53-T57 WeakPolarHBondContact O-CG2 3.25Å; A53-T57 PolarHBondContact O-N 2.76Å; A53-T57 PolarHBondContact O-OG1 3.37Å; A53-T57 VanDerWaalsContact O-OG1 3.07Å |
| 54 | E | 61.8 | Low | 76.1 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 25% | 0.252 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -73.3 | -28.2 | -178.8 | -71.1 | 163.5 | 94.7 | 0 | 0 | 112.5 | Q51 E56 N58 | Q51-E54 HydrophobicContact CB-CB 4.28Å; Q51-E54 WeakPolarHBondContact CG-OE2 3.4Å; Q51-E54 VanDerWaalsContact NE2-CD 3.25Å; Q51-E54 PolarHBondContact NE2-OE1 3.18Å; Q51-E54 PolarHBondContact NE2-OE2 3.14Å; Q51-E54 PolarHBondContact O-N 2.88Å; E54-E56 VanDerWaalsContact C-N 3.3Å; E54-N58 WeakPolarHBondContact O-CA 3.3Å; E54-N58 PolarHBondContact O-N 3.46Å |
| 55 | N | 64.1 | Low | 76.6 | Confident | 54 Ų | 54 | 76 Ų | 76 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74.7 | -21.9 | 171.5 | -170.1 | 71.8 | 0 | 0 | 0 | 112.7 | L46 Q51 F52 | L46-N55 PolarHBondContact O-OD1 2.93Å; Q51-N55 PolarHBondContact O-N 3.44Å; Q51-N55 VanDerWaalsContact O-N 3.15Å; F52-N55 PolarHBondContact O-N 3.22Å |
| 56 | E | 66.3 | Low | 77.2 | Confident | 142 Ų | 142 | 74.9 Ų | 74.9 | 66% | 0.664 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -87.6 | -38.6 | 176.6 | -142.4 | 173 | 106.9 | 0 | 0 | 111.5 | G13 F52 A53 E54 | G13-E56 WeakPolarHBondContact CA-O 3.25Å; G13-E56 PolarHBondContact N-O 3.17Å; F52-E56 PolarHBondContact O-N 3.39Å; F52-E56 VanDerWaalsContact O-N 3.14Å; A53-E56 PolarHBondContact O-N 3.41Å; E54-E56 VanDerWaalsContact C-N 3.3Å |
| 57 | T | 70.1 | Confident | 77.9 | Confident | 61 Ų | 61 | 76 Ų | 76 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -89 | -20 | 179.4 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | C11 A53 E59 | C11-T57 VanDerWaalsContact O-O 3.14Å; A53-T57 WeakPolarHBondContact O-CG2 3.25Å; A53-T57 PolarHBondContact O-N 2.76Å; A53-T57 PolarHBondContact O-OG1 3.37Å; A53-T57 VanDerWaalsContact O-OG1 3.07Å; T57-E59 VanDerWaalsContact O-CG 3.3Å; T57-E59 WeakPolarHBondContact O-CG 3.4Å; T57-E59 PolarHBondContact O-N 3.29Å |
| 58 | N | 82.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | trans | 54.1 | 34.3 | -174.1 | -55.7 | -85.7 | 0 | 0 | 0 | 113.9 | C11 G13 A16 V19 K20 E54 | C11-N58 WeakPolarHBondContact O-CB 3.19Å; C11-N58 PolarHBondContact O-ND2 3.19Å; G13-N58 PolarHBondContact N-ND2 2.96Å; G13-N58 PolarHBondContact O-ND2 2.9Å; G13-N58 PolarHBondContact O-OD1 2.74Å; A16-N58 HydrophobicContact CB-CB 4.28Å; A16-N58 WeakPolarHBondContact CB-ND2 3.49Å; V19-N58 CarbonylContact C-O 3.56Å; V19-N58 VanDerWaalsContact CA-O 3.3Å; V19-N58 WeakPolarHBondContact CA-O 3.4Å; V19-N58 WeakPolarHBondContact CB-O 3.34Å; V19-N58 HydrophobicContact CG1-CB 4.21Å; K20-N58 PolarHBondContact N-O 3.18Å; E54-N58 WeakPolarHBondContact O-CA 3.3Å; E54-N58 PolarHBondContact O-N 3.46Å | ||
| 59 | E | 88.3 | Confident | 80 | Confident | 65 Ų | 65 | 80.8 Ų | 80.8 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138 | -179.7 | -49.8 | -175.7 | 127.7 | 0 | 0 | 110.5 | K20 T57 | K20-E59 HydrophobicContact CB-CB 4.41Å; K20-E59 HydrophobicContact CB-CG 4.08Å; K20-E59 HydrophobicContact CD-CG 4.13Å; K20-E59 VanDerWaalsContact CD-OE1 3.28Å; K20-E59 WeakPolarHBondContact CD-OE1 3.33Å; K20-E59 WeakPolarHBondContact CE-OE1 3.43Å; K20-E59 IonicContact NZ-OE1 2.81Å; K20-E59 PolarHBondContact NZ-OE1 3.34Å; K20-E59 CarbonylContact O-C 3.54Å; K20-E59 VanDerWaalsContact O-CA 3.32Å; K20-E59 WeakPolarHBondContact O-CA 3.27Å; T57-E59 VanDerWaalsContact O-CG 3.3Å; T57-E59 WeakPolarHBondContact O-CG 3.4Å; T57-E59 PolarHBondContact O-N 3.29Å |
| 60 | V | 89.6 | Confident | 81.6 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.012 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123 | 174.1 | -179 | 0 | 0 | 0 | 0 | 108.7 | K20 L21 I22 I42 M45 L46 F62 | K20-V60 PolarHBondContact O-N 3.14Å; L21-V60 HydrophobicContact CD2-CB 3.87Å; L21-V60 HydrophobicContact CD2-CG2 4.16Å; I22-V60 PolarHBondContact N-O 2.79Å; I42-V60 HydrophobicContact CG2-CG2 4.42Å; M45-V60 HydrophobicContact CB-CG1 4.22Å; M45-V60 HydrophobicContact CB-CG2 4.39Å; M45-V60 HydrophobicContact SD-CG1 3.65Å; L46-V60 HydrophobicContact CD2-CG2 3.6Å; L46-V60 HydrophobicContact CG-CG2 3.83Å; V60-F62 HydrophobicContact CB-CE2 4.32Å; V60-F62 HydrophobicContact CG1-CD2 4.32Å; V60-F62 HydrophobicContact CG1-CE1 4.25Å; V60-F62 HydrophobicContact CG1-CE2 3.77Å; V60-F62 HydrophobicContact CG1-CZ 3.73Å |
| 61 | N | 91.4 | Very high | 83.1 | Confident | 90 Ų | 90 | 72.8 Ų | 72.8 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.2 | -179.8 | -169.5 | -62.8 | 0 | 0 | 0 | 111.6 | ||
| 62 | F | 92.3 | Very high | 84.6 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 11% | 0.105 | 37% | 0.365 | C | S | . | . | trans | -96.5 | 94.7 | 176.2 | -64.8 | -79.2 | 0 | 0 | 0 | 111.1 | L21 I22 S23 S24 I42 M45 V60 E64 I65 L70 | L21-F62 HydrophobicContact CB-CD2 4.5Å; L21-F62 HydrophobicContact CB-CE2 4.05Å; L21-F62 HydrophobicContact CD1-CE2 4.48Å; L21-F62 HydrophobicContact CD2-CE2 4.08Å; L21-F62 HydrophobicContact CG-CE2 4.41Å; I22-F62 WeakPolarHBondContact O-CB 3.12Å; I22-F62 PolarHBondContact O-N 2.89Å; S23-F62 CarbonylContact C-O 3.52Å; S24-F62 VanDerWaalsContact CA-O 3.27Å; S24-F62 WeakPolarHBondContact CA-O 3.26Å; S24-F62 WeakPolarHBondContact CB-O 3.39Å; S24-F62 PolarHBondContact N-O 2.92Å; I42-F62 HydrophobicContact CD1-CZ 4.12Å; I42-F62 HydrophobicContact CG1-CZ 4.02Å; M45-F62 HydrophobicContact SD-CE1 4.14Å; V60-F62 HydrophobicContact CB-CE2 4.32Å; V60-F62 HydrophobicContact CG1-CD2 4.32Å; V60-F62 HydrophobicContact CG1-CE1 4.25Å; V60-F62 HydrophobicContact CG1-CE2 3.77Å; V60-F62 HydrophobicContact CG1-CZ 3.73Å; F62-E64 PolarHBondContact O-N 3.21Å; F62-I65 HydrophobicContact CB-CB 3.84Å; F62-I65 HydrophobicContact CB-CD1 4.19Å; F62-I65 HydrophobicContact CB-CG1 4.01Å; F62-I65 HydrophobicContact CD1-CD1 3.47Å; F62-I65 VanDerWaalsContact CD1-CD1 3.47Å; F62-I65 HydrophobicContact CD1-CG1 4.13Å; F62-I65 HydrophobicContact CE1-CD1 4Å; F62-I65 HydrophobicContact CG-CB 4.4Å; F62-I65 HydrophobicContact CG-CD1 3.94Å; F62-I65 HydrophobicContact CG-CG1 4.32Å; F62-L70 HydrophobicContact CD2-CD1 3.94Å; F62-L70 HydrophobicContact CD2-CD2 3.94Å; F62-L70 HydrophobicContact CE2-CD1 3.95Å | ||
| 63 | R | 93.1 | Very high | 86.1 | Confident | 217 Ų | 217 | 67.7 Ų | 67.7 | 82% | 0.819 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -66.8 | -18 | -178.4 | -60.5 | -177.4 | -174.2 | 174.1 | 2.5 | 114.6 | S24 | S24-R63 VanDerWaalsContact CB-C 3.49Å; S24-R63 WeakPolarHBondContact CB-O 3.48Å |
| 64 | E | 93.9 | Very high | 87.6 | Confident | 184 Ų | 184 | 65 Ų | 65 | 86% | 0.86 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -114.1 | -13 | -174.4 | -62.3 | 179.7 | 97.2 | 0 | 0 | 113.4 | F62 P66 | F62-E64 PolarHBondContact O-N 3.21Å; E64-P66 WeakPolarHBondContact O-CD 3.43Å |
| 65 | I | 94.9 | Very high | 89.1 | Confident | 50 Ų | 50 | 67 Ų | 67 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | trans | -101 | 113 | -174.4 | -51.5 | -176.2 | 0 | 0 | 0 | 109.7 | S23 S24 F62 V69 L70 | S23-I65 WeakPolarHBondContact CA-O 3.47Å; S23-I65 WeakPolarHBondContact CB-O 3.27Å; S24-I65 PolarHBondContact N-O 2.81Å; S24-I65 PolarHBondContact OG-O 2.71Å; F62-I65 HydrophobicContact CB-CB 3.84Å; F62-I65 HydrophobicContact CB-CD1 4.19Å; F62-I65 HydrophobicContact CB-CG1 4.01Å; F62-I65 HydrophobicContact CD1-CD1 3.47Å; F62-I65 VanDerWaalsContact CD1-CD1 3.47Å; F62-I65 HydrophobicContact CD1-CG1 4.13Å; F62-I65 HydrophobicContact CE1-CD1 4Å; F62-I65 HydrophobicContact CG-CB 4.4Å; F62-I65 HydrophobicContact CG-CD1 3.94Å; F62-I65 HydrophobicContact CG-CG1 4.32Å; I65-V69 HydrophobicContact CG2-CB 3.92Å; I65-V69 HydrophobicContact CG2-CG1 3.81Å; I65-L70 HydrophobicContact CG2-CB 3.99Å | ||
| 66 | P | 96.9 | Very high | 90.4 | Very high | 40 Ų | 40 | 69 Ų | 69 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | trans | -73.3 | 157.8 | 177.3 | 31.7 | -35.8 | 0 | 0 | 0 | 111.8 | S24 E64 H68 V69 L70 | S24-P66 WeakPolarHBondContact OG-CA 3.46Å; E64-P66 WeakPolarHBondContact O-CD 3.43Å; P66-H68 VanDerWaalsContact C-N 3.35Å; P66-H68 WeakPolarHBondContact CG-CE1 3.22Å; P66-H68 PolarHBondContact O-N 2.85Å; P66-V69 HydrophobicContact CG-CB 4.24Å; P66-V69 HydrophobicContact CG-CG2 3.84Å; P66-V69 PolarHBondContact O-N 3.34Å; P66-L70 PolarHBondContact O-N 2.97Å | ||
| 67 | S | 96.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 62.8 Ų | 62.8 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52.8 | -42.8 | -175.9 | 56.5 | 0 | 0 | 0 | 0 | 114.5 | D25 H27 F29 V69 L70 S71 | D25-S67 WeakPolarHBondContact OD1-CB 3.21Å; D25-S67 PolarHBondContact OD1-N 2.91Å; D25-S67 PolarHBondContact OD1-OG 2.76Å; D25-S67 WeakPolarHBondContact OD2-CB 3.36Å; D25-S67 PolarHBondContact OD2-OG 2.85Å; H27-S67 WeakPolarHBondContact ND1-CB 3.45Å; F29-S67 WeakPolarHBondContact CZ-O 3.49Å; S67-V69 VanDerWaalsContact C-N 3.27Å; S67-V69 PolarHBondContact O-N 3.46Å; S67-L70 PolarHBondContact O-N 3.17Å; S67-S71 VanDerWaalsContact O-CB 3.26Å; S67-S71 WeakPolarHBondContact O-CB 3.33Å; S67-S71 PolarHBondContact O-N 3.29Å |
| 68 | H | 95 | Very high | 92.4 | Very high | 133 Ų | 133 | 63.6 Ų | 63.6 | 62% | 0.616 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.6 | -32.3 | 179.3 | 71.4 | -84.9 | 0 | 0 | 0 | 112.8 | P66 | P66-H68 VanDerWaalsContact C-N 3.35Å; P66-H68 WeakPolarHBondContact CG-CE1 3.22Å; P66-H68 PolarHBondContact O-N 2.85Å |
| 69 | V | 95.3 | Very high | 92.8 | Very high | 59 Ų | 59 | 66 Ų | 66 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -78.5 | -46.7 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 110 | I65 P66 S67 S71 K72 V73 | I65-V69 HydrophobicContact CG2-CB 3.92Å; I65-V69 HydrophobicContact CG2-CG1 3.81Å; P66-V69 HydrophobicContact CG-CB 4.24Å; P66-V69 HydrophobicContact CG-CG2 3.84Å; P66-V69 PolarHBondContact O-N 3.34Å; S67-V69 VanDerWaalsContact C-N 3.27Å; S67-V69 PolarHBondContact O-N 3.46Å; V69-S71 PolarHBondContact O-N 3.36Å; V69-K72 WeakPolarHBondContact O-CB 3.45Å; V69-K72 PolarHBondContact O-N 2.95Å; V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 WeakPolarHBondContact O-CG2 3.06Å; V69-V73 PolarHBondContact O-N 3.5Å |
| 70 | L | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -33.1 | -178.8 | -170.4 | 57.1 | 0 | 0 | 0 | 112 | L21 F29 F62 I65 P66 S67 V73 C74 | L21-L70 HydrophobicContact CB-CD2 4.11Å; L21-L70 HydrophobicContact CD1-CD1 4.5Å; F29-L70 HydrophobicContact CD2-CB 4.37Å; F29-L70 HydrophobicContact CD2-CD2 3.58Å; F29-L70 HydrophobicContact CD2-CG 3.86Å; F29-L70 HydrophobicContact CE2-CB 3.99Å; F29-L70 HydrophobicContact CE2-CD2 3.84Å; F29-L70 HydrophobicContact CE2-CG 4Å; F29-L70 HydrophobicContact CG-CG 4.5Å; F29-L70 HydrophobicContact CZ-CB 4.45Å; F62-L70 HydrophobicContact CD2-CD1 3.94Å; F62-L70 HydrophobicContact CD2-CD2 3.94Å; F62-L70 HydrophobicContact CE2-CD1 3.95Å; I65-L70 HydrophobicContact CG2-CB 3.99Å; P66-L70 PolarHBondContact O-N 2.97Å; S67-L70 PolarHBondContact O-N 3.17Å; L70-V73 HydrophobicContact CD1-CB 4.35Å; L70-V73 HydrophobicContact CD1-CG1 4.4Å; L70-V73 WeakPolarHBondContact O-CB 3.5Å; L70-V73 PolarHBondContact O-N 2.67Å; L70-C74 PolarHBondContact O-N 3.48Å; L70-C74 PolarHBondContact O-SG 3.42Å |
| 71 | S | 94.1 | Very high | 92.7 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 25% | 0.245 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 171.9 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | S67 V69 V73 C74 M75 | S67-S71 VanDerWaalsContact O-CB 3.26Å; S67-S71 WeakPolarHBondContact O-CB 3.33Å; S67-S71 PolarHBondContact O-N 3.29Å; V69-S71 PolarHBondContact O-N 3.36Å; S71-V73 VanDerWaalsContact C-N 3.34Å; S71-V73 PolarHBondContact O-N 2.86Å; S71-C74 WeakPolarHBondContact O-CB 3.22Å; S71-C74 PolarHBondContact O-N 3.1Å; S71-M75 WeakPolarHBondContact O-CG 3.31Å; S71-M75 PolarHBondContact O-N 2.95Å |
| 72 | K | 94.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.1 | -68.3 | -70.7 | -175.6 | 129.8 | 0 | 111.9 | V69 C74 M75 Y76 F93 P94 I95 | V69-K72 WeakPolarHBondContact O-CB 3.45Å; V69-K72 PolarHBondContact O-N 2.95Å; K72-C74 VanDerWaalsContact C-N 3.34Å; K72-C74 PolarHBondContact O-N 3.02Å; K72-M75 HydrophobicContact CD-SD 4.15Å; K72-M75 PolarHBondContact O-N 2.58Å; K72-Y76 WeakPolarHBondContact O-CB 3.44Å; K72-Y76 PolarHBondContact O-N 3.05Å; K72-F93 WeakPolarHBondContact O-CZ 3.38Å; K72-P94 PolarHBondContact NZ-O 3.4Å; K72-I95 WeakPolarHBondContact CE-OXT 3.46Å; K72-I95 PolarHBondContact NZ-O 3.11Å; K72-I95 PolarHBondContact NZ-OXT 3.29Å |
| 73 | V | 92.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 73.7 Ų | 73.7 | 29% | 0.285 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | V69 L70 S71 Y76 F77 | V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 WeakPolarHBondContact O-CG2 3.06Å; V69-V73 PolarHBondContact O-N 3.5Å; L70-V73 HydrophobicContact CD1-CB 4.35Å; L70-V73 HydrophobicContact CD1-CG1 4.4Å; L70-V73 WeakPolarHBondContact O-CB 3.5Å; L70-V73 PolarHBondContact O-N 2.67Å; S71-V73 VanDerWaalsContact C-N 3.34Å; S71-V73 PolarHBondContact O-N 2.86Å; V73-Y76 WeakPolarHBondContact O-CB 3.19Å; V73-Y76 PolarHBondContact O-N 3.28Å; V73-F77 HydrophobicContact CG1-CE1 3.83Å; V73-F77 HydrophobicContact CG1-CE2 3.8Å; V73-F77 HydrophobicContact CG1-CZ 3.27Å; V73-F77 WeakPolarHBondContact O-CG 3.16Å; V73-F77 PolarHBondContact O-N 3.13Å |
| 74 | C | 92.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 10% | 0.095 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.1 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | V31 L70 S71 K72 Y76 F77 | V31-C74 HydrophobicContact CG1-CB 4Å; L70-C74 PolarHBondContact O-N 3.48Å; L70-C74 PolarHBondContact O-SG 3.42Å; S71-C74 WeakPolarHBondContact O-CB 3.22Å; S71-C74 PolarHBondContact O-N 3.1Å; K72-C74 VanDerWaalsContact C-N 3.34Å; K72-C74 PolarHBondContact O-N 3.02Å; C74-Y76 VanDerWaalsContact C-N 3.26Å; C74-Y76 PolarHBondContact O-N 2.82Å; C74-F77 PolarHBondContact O-N 3.04Å |
| 75 | M | 92.3 | Very high | 91.2 | Very high | 97 Ų | 97 | 65.2 Ų | 65.2 | 48% | 0.478 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 173.4 | -67.1 | 173.9 | -172.3 | 0 | 0 | 111.3 | S71 K72 F77 T78 Y79 F93 | S71-M75 WeakPolarHBondContact O-CG 3.31Å; S71-M75 PolarHBondContact O-N 2.95Å; K72-M75 HydrophobicContact CD-SD 4.15Å; K72-M75 PolarHBondContact O-N 2.58Å; M75-F77 VanDerWaalsContact C-N 3.31Å; M75-F77 PolarHBondContact O-N 2.88Å; M75-T78 PolarHBondContact O-N 3.39Å; M75-Y79 PolarHBondContact O-N 3.33Å; M75-F93 HydrophobicContact CB-CE2 3.91Å; M75-F93 HydrophobicContact CB-CZ 3.86Å |
| 76 | Y | 91.3 | Very high | 90.6 | Very high | 95 Ų | 95 | 64.2 Ų | 64.2 | 37% | 0.373 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -33.7 | 178.5 | -179.1 | -103.7 | 0 | 0 | 0 | 112.4 | K72 V73 C74 Y79 K80 F93 | K72-Y76 WeakPolarHBondContact O-CB 3.44Å; K72-Y76 PolarHBondContact O-N 3.05Å; V73-Y76 WeakPolarHBondContact O-CB 3.19Å; V73-Y76 PolarHBondContact O-N 3.28Å; C74-Y76 VanDerWaalsContact C-N 3.26Å; C74-Y76 PolarHBondContact O-N 2.82Å; Y76-Y79 AromaticContact CD2-CD1 3.85Å; Y76-Y79 HydrophobicContact CD2-CD1 3.85Å; Y76-Y79 HydrophobicContact CD2-CE1 4.48Å; Y76-Y79 AromaticContact CE2-CD1 3.84Å; Y76-Y79 HydrophobicContact CE2-CD1 3.84Å; Y76-Y79 HydrophobicContact CE2-CE1 4.11Å; Y76-Y79 PolarHBondContact O-N 3.15Å; Y76-K80 HydrophobicContact CE1-CB 4.28Å; Y76-K80 VanDerWaalsContact O-CB 3.27Å; Y76-K80 WeakPolarHBondContact O-CB 3.05Å; Y76-K80 PolarHBondContact O-N 2.72Å; Y76-F93 HydrophobicContact CD2-CD1 4.25Å; Y76-F93 HydrophobicContact CD2-CD2 4.21Å; Y76-F93 HydrophobicContact CD2-CE1 4.46Å; Y76-F93 HydrophobicContact CD2-CE2 4.43Å; Y76-F93 HydrophobicContact CD2-CG 4.12Å |
| 77 | F | 91.1 | Very high | 89.8 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 174.7 | -60.7 | -32.6 | 0 | 0 | 0 | 112.1 | L21 H35 I42 V73 C74 M75 Y79 K80 V81 | L21-F77 HydrophobicContact CD1-CE2 3.82Å; H35-F77 HydrophobicContact CB-CB 4.08Å; I42-F77 HydrophobicContact CD1-CE1 4.28Å; I42-F77 HydrophobicContact CD1-CE2 3.63Å; I42-F77 HydrophobicContact CD1-CZ 3.28Å; V73-F77 HydrophobicContact CG1-CE1 3.83Å; V73-F77 HydrophobicContact CG1-CE2 3.8Å; V73-F77 HydrophobicContact CG1-CZ 3.27Å; V73-F77 WeakPolarHBondContact O-CG 3.16Å; V73-F77 PolarHBondContact O-N 3.13Å; C74-F77 PolarHBondContact O-N 3.04Å; M75-F77 VanDerWaalsContact C-N 3.31Å; M75-F77 PolarHBondContact O-N 2.88Å; F77-Y79 VanDerWaalsContact C-N 3.34Å; F77-Y79 PolarHBondContact O-N 3.19Å; F77-K80 PolarHBondContact O-N 2.95Å; F77-V81 WeakPolarHBondContact O-CG2 3.13Å; F77-V81 PolarHBondContact O-N 3Å |
| 78 | T | 88.5 | Confident | 89.2 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | M75 V81 R82 | M75-T78 PolarHBondContact O-N 3.39Å; T78-V81 PolarHBondContact O-N 2.93Å; T78-R82 WeakPolarHBondContact O-CB 3.33Å; T78-R82 PolarHBondContact O-N 2.98Å |
| 79 | Y | 90.3 | Very high | 88.7 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.5 | -50.9 | 174.9 | 170.1 | -93.3 | 0 | 0 | 0 | 111.2 | M75 Y76 F77 V81 R82 Y83 I90 P91 F93 | M75-Y79 PolarHBondContact O-N 3.33Å; Y76-Y79 AromaticContact CD2-CD1 3.85Å; Y76-Y79 HydrophobicContact CD2-CD1 3.85Å; Y76-Y79 HydrophobicContact CD2-CE1 4.48Å; Y76-Y79 AromaticContact CE2-CD1 3.84Å; Y76-Y79 HydrophobicContact CE2-CD1 3.84Å; Y76-Y79 HydrophobicContact CE2-CE1 4.11Å; Y76-Y79 PolarHBondContact O-N 3.15Å; F77-Y79 VanDerWaalsContact C-N 3.34Å; F77-Y79 PolarHBondContact O-N 3.19Å; Y79-V81 PolarHBondContact O-N 3.45Å; Y79-R82 PolarHBondContact O-N 2.94Å; Y79-Y83 AromaticContact CD2-CD2 3.38Å; Y79-Y83 HydrophobicContact CD2-CD2 3.38Å; Y79-Y83 AromaticContact CD2-CE2 3.48Å; Y79-Y83 HydrophobicContact CD2-CE2 3.48Å; Y79-Y83 VanDerWaalsContact CD2-CE2 3.48Å; Y79-Y83 AromaticContact CE2-CD2 3.43Å; Y79-Y83 HydrophobicContact CE2-CD2 3.43Å; Y79-Y83 VanDerWaalsContact CE2-CD2 3.43Å; Y79-Y83 AromaticContact CE2-CE2 3.68Å; Y79-Y83 HydrophobicContact CE2-CE2 3.68Å; Y79-Y83 HydrophobicContact CE2-CG 4.35Å; Y79-Y83 AromaticContact CG-CD2 3.99Å; Y79-Y83 HydrophobicContact CG-CD2 3.99Å; Y79-Y83 HydrophobicContact CG-CE2 4.38Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.19Å; Y79-Y83 PolarHBondContact O-N 3.37Å; Y79-I90 HydrophobicContact CE2-CG2 4.32Å; Y79-I90 WeakPolarHBondContact OH-CG2 3.44Å; Y79-P91 HydrophobicContact CE2-CG 4.28Å; Y79-P91 WeakPolarHBondContact CE2-O 3.4Å; Y79-P91 PolarHBondContact OH-O 3.3Å; Y79-F93 HydrophobicContact CD1-CB 4.33Å; Y79-F93 HydrophobicContact CD1-CD2 4.08Å; Y79-F93 HydrophobicContact CD1-CG 4.5Å; Y79-F93 HydrophobicContact CD2-CD2 4.08Å; Y79-F93 HydrophobicContact CE1-CB 4.16Å; Y79-F93 HydrophobicContact CE2-CB 4.35Å; Y79-F93 AromaticContact CG-CD2 3.73Å; Y79-F93 HydrophobicContact CG-CD2 3.73Å |
| 80 | K | 87.8 | Confident | 88.3 | Confident | 82 Ų | 82 | 76 Ų | 76 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | -178.1 | -174.1 | 63.9 | 177.3 | -177.9 | 0 | 111.1 | T38 Y76 F77 R82 Y83 T84 | T38-K80 HydrophobicContact CG2-CB 4.33Å; T38-K80 HydrophobicContact CG2-CG 3.63Å; Y76-K80 HydrophobicContact CE1-CB 4.28Å; Y76-K80 VanDerWaalsContact O-CB 3.27Å; Y76-K80 WeakPolarHBondContact O-CB 3.05Å; Y76-K80 PolarHBondContact O-N 2.72Å; F77-K80 PolarHBondContact O-N 2.95Å; K80-R82 VanDerWaalsContact C-N 3.32Å; K80-R82 PolarHBondContact O-N 2.94Å; K80-Y83 PolarHBondContact O-N 3.49Å; K80-T84 WeakPolarHBondContact CE-OG1 3.22Å; K80-T84 VanDerWaalsContact O-CB 3.27Å; K80-T84 WeakPolarHBondContact O-CB 3.27Å; K80-T84 PolarHBondContact O-N 3.49Å; K80-T84 PolarHBondContact O-OG1 3.29Å |
| 81 | V | 88.2 | Confident | 87.9 | Confident | 54 Ų | 54 | 78.9 Ų | 78.9 | 33% | 0.327 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | H35 T38 F77 T78 Y79 Y83 | H35-V81 HydrophobicContact CB-CG2 4.26Å; T38-V81 WeakPolarHBondContact OG1-CG2 3.37Å; F77-V81 WeakPolarHBondContact O-CG2 3.13Å; F77-V81 PolarHBondContact O-N 3Å; T78-V81 PolarHBondContact O-N 2.93Å; Y79-V81 PolarHBondContact O-N 3.45Å; V81-Y83 VanDerWaalsContact C-N 3.27Å; V81-Y83 PolarHBondContact O-N 2.87Å |
| 82 | R | 87.7 | Confident | 87.6 | Confident | 151 Ų | 151 | 86.2 Ų | 86.2 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.5 | -32.1 | -177.8 | -178.7 | 59.9 | -176 | 82.3 | -1.5 | 113.5 | T78 Y79 K80 | T78-R82 WeakPolarHBondContact O-CB 3.33Å; T78-R82 PolarHBondContact O-N 2.98Å; Y79-R82 PolarHBondContact O-N 2.94Å; K80-R82 VanDerWaalsContact C-N 3.32Å; K80-R82 PolarHBondContact O-N 2.94Å |
| 83 | Y | 87.8 | Confident | 87.3 | Confident | 56 Ų | 56 | 85.1 Ų | 85.1 | 22% | 0.22 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -113.6 | -6.5 | -171.5 | -62.6 | -70.6 | 0 | 0 | 0 | 115.5 | Y79 K80 V81 N85 S86 I90 P91 | Y79-Y83 AromaticContact CD2-CD2 3.38Å; Y79-Y83 HydrophobicContact CD2-CD2 3.38Å; Y79-Y83 AromaticContact CD2-CE2 3.48Å; Y79-Y83 HydrophobicContact CD2-CE2 3.48Å; Y79-Y83 VanDerWaalsContact CD2-CE2 3.48Å; Y79-Y83 AromaticContact CE2-CD2 3.43Å; Y79-Y83 HydrophobicContact CE2-CD2 3.43Å; Y79-Y83 VanDerWaalsContact CE2-CD2 3.43Å; Y79-Y83 AromaticContact CE2-CE2 3.68Å; Y79-Y83 HydrophobicContact CE2-CE2 3.68Å; Y79-Y83 HydrophobicContact CE2-CG 4.35Å; Y79-Y83 AromaticContact CG-CD2 3.99Å; Y79-Y83 HydrophobicContact CG-CD2 3.99Å; Y79-Y83 HydrophobicContact CG-CE2 4.38Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.19Å; Y79-Y83 PolarHBondContact O-N 3.37Å; K80-Y83 PolarHBondContact O-N 3.49Å; V81-Y83 VanDerWaalsContact C-N 3.27Å; V81-Y83 PolarHBondContact O-N 2.87Å; Y83-N85 PolarHBondContact O-N 3.05Å; Y83-N85 VanDerWaalsContact O-N 3.11Å; Y83-S86 PolarHBondContact O-N 2.81Å; Y83-I90 HydrophobicContact CD1-CG1 4.48Å; Y83-I90 HydrophobicContact CD1-CG2 4.36Å; Y83-I90 HydrophobicContact CG-CG2 4.09Å; Y83-P91 HydrophobicContact CE1-CG 3.99Å; Y83-P91 HydrophobicContact CE2-CG 3.85Å; Y83-P91 VanDerWaalsContact CZ-CD 3.42Å; Y83-P91 VanDerWaalsContact CZ-CG 3.46Å; Y83-P91 WeakPolarHBondContact OH-CG 3.48Å |
| 84 | T | 83.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 87 Ų | 87 | 44% | 0.436 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.3 | -177.9 | -71.1 | 0 | 0 | 0 | 0 | 113.8 | K80 | K80-T84 WeakPolarHBondContact CE-OG1 3.22Å; K80-T84 VanDerWaalsContact O-CB 3.27Å; K80-T84 WeakPolarHBondContact O-CB 3.27Å; K80-T84 PolarHBondContact O-N 3.49Å; K80-T84 PolarHBondContact O-OG1 3.29Å |
| 85 | N | 79.9 | Confident | 85.8 | Confident | 153 Ų | 153 | 95.8 Ų | 95.8 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | 24.6 | 175.2 | -65 | -63.4 | 0 | 0 | 0 | 112.5 | Y83 | Y83-N85 PolarHBondContact O-N 3.05Å; Y83-N85 VanDerWaalsContact O-N 3.11Å |
| 86 | S | 82.9 | Confident | 85.5 | Confident | 29 Ų | 29 | 95.7 Ų | 95.7 | 20% | 0.203 | 50% | 0.496 | C | S | . | . | trans | -76.3 | 132.2 | -179.5 | -159.2 | 0 | 0 | 0 | 0 | 110.4 | Y83 T88 | Y83-S86 PolarHBondContact O-N 2.81Å; S86-T88 VanDerWaalsContact C-N 3.27Å; S86-T88 PolarHBondContact OG-N 3.42Å; S86-T88 PolarHBondContact OG-OG1 3.43Å | ||
| 87 | S | 79 | Confident | 85.2 | Confident | 132 Ų | 132 | 95.7 Ų | 95.7 | 92% | 0.923 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -87.5 | 1.5 | 169.9 | -47.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 88 | T | 84.5 | Confident | 84.8 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -93.3 | 164.6 | 176.8 | 68.9 | 0 | 0 | 0 | 0 | 111.1 | S86 I90 | S86-T88 VanDerWaalsContact C-N 3.27Å; S86-T88 PolarHBondContact OG-N 3.42Å; S86-T88 PolarHBondContact OG-OG1 3.43Å; T88-I90 PolarHBondContact O-N 3.18Å |
| 89 | E | 84.1 | Confident | 84.6 | Confident | 188 Ų | 188 | 101.7 Ų | 101.7 | 88% | 0.879 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 130.9 | 166.7 | -66.3 | 178.8 | 93.7 | 0 | 0 | 110.1 | ||
| 90 | I | 87.3 | Confident | 84.3 | Confident | 95 Ų | 95 | 104.9 Ų | 104.9 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -92.7 | 116.9 | -177.7 | -60.5 | 176.5 | 0 | 0 | 0 | 106.6 | Y79 Y83 T88 | Y79-I90 HydrophobicContact CE2-CG2 4.32Å; Y79-I90 WeakPolarHBondContact OH-CG2 3.44Å; Y83-I90 HydrophobicContact CD1-CG1 4.48Å; Y83-I90 HydrophobicContact CD1-CG2 4.36Å; Y83-I90 HydrophobicContact CG-CG2 4.09Å; T88-I90 PolarHBondContact O-N 3.18Å |
| 91 | P | 86.6 | Confident | 84 | Confident | 59 Ų | 59 | 106.5 Ų | 106.5 | 38% | 0.383 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 153.3 | -179.8 | 28.5 | -32.2 | 0 | 0 | 0 | 110.9 | Y79 Y83 | Y79-P91 HydrophobicContact CE2-CG 4.28Å; Y79-P91 WeakPolarHBondContact CE2-O 3.4Å; Y79-P91 PolarHBondContact OH-O 3.3Å; Y83-P91 HydrophobicContact CE1-CG 3.99Å; Y83-P91 HydrophobicContact CE2-CG 3.85Å; Y83-P91 VanDerWaalsContact CZ-CD 3.42Å; Y83-P91 VanDerWaalsContact CZ-CG 3.46Å; Y83-P91 WeakPolarHBondContact OH-CG 3.48Å |
| 92 | E | 88.2 | Confident | 83.7 | Confident | 190 Ų | 190 | 110.2 Ų | 110.2 | 89% | 0.888 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -66 | 139.2 | 175 | -66.9 | -172.2 | 88.8 | 0 | 0 | 111.4 | ||
| 93 | F | 86.5 | Confident | 83.4 | Confident | 46 Ų | 46 | 107.1 Ų | 107.1 | 20% | 0.202 | 58% | 0.581 | C | S | . | * | P | Polyproline II helix | trans | -78.5 | 125.3 | 174.8 | -177.3 | -100.3 | 0 | 0 | 0 | 109.9 | K72 M75 Y76 Y79 I95 | K72-F93 WeakPolarHBondContact O-CZ 3.38Å; M75-F93 HydrophobicContact CB-CE2 3.91Å; M75-F93 HydrophobicContact CB-CZ 3.86Å; Y76-F93 HydrophobicContact CD2-CD1 4.25Å; Y76-F93 HydrophobicContact CD2-CD2 4.21Å; Y76-F93 HydrophobicContact CD2-CE1 4.46Å; Y76-F93 HydrophobicContact CD2-CE2 4.43Å; Y76-F93 HydrophobicContact CD2-CG 4.12Å; Y79-F93 HydrophobicContact CD1-CB 4.33Å; Y79-F93 HydrophobicContact CD1-CD2 4.08Å; Y79-F93 HydrophobicContact CD1-CG 4.5Å; Y79-F93 HydrophobicContact CD2-CD2 4.08Å; Y79-F93 HydrophobicContact CE1-CB 4.16Å; Y79-F93 HydrophobicContact CE2-CB 4.35Å; Y79-F93 AromaticContact CG-CD2 3.73Å; Y79-F93 HydrophobicContact CG-CD2 3.73Å; F93-I95 HydrophobicContact CD1-CG2 4.43Å; F93-I95 PolarHBondContact O-N 3.17Å |
| 94 | P | 79.5 | Confident | 83.1 | Confident | 88 Ų | 88 | 111.3 Ų | 111.3 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | trans | -73.3 | 103 | -178.7 | 28.6 | -33.6 | 0 | 0 | 0 | 111.1 | K72 | K72-P94 PolarHBondContact NZ-O 3.4Š| ||
| 95 | I | 74.4 | Confident | 83 | Confident | 197 Ų | 197 | 115 Ų | 115 | 100% | 1.01 | 63% | 0.628 | S | S | * | * | trans | -68.3 | 0 | 175.8 | 58 | 170.7 | 0 | 0 | 0 | 112.3 | K72 F93 | K72-I95 WeakPolarHBondContact CE-OXT 3.46Å; K72-I95 PolarHBondContact NZ-O 3.11Å; K72-I95 PolarHBondContact NZ-OXT 3.29Å; F93-I95 HydrophobicContact CD1-CG2 4.43Å; F93-I95 PolarHBondContact O-N 3.17Å |
Retrieved 95 of 95 residues in 655 ms
(Link to these results)