| 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 | 31.6 | Very low | 42.9 | Very low | 248 Ų | 248 | 83.4 Ų | 83.4 | 100% | 1.222 | 52% | 0.516 | S | S | * | . | 0 | 111.4 | 0 | -70.8 | -154.7 | -125.2 | 0 | 0 | 107.8 | G3 | M1-G3 PolarHBondContact O-N 2.83Š| |||
| 2 | A | 28.4 | Very low | 45.7 | Very low | 119 Ų | 119 | 81.9 Ų | 81.9 | 98% | 0.983 | 51% | 0.509 | S | S | * | . | trans | -84.4 | 86.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | G | 31.1 | Very low | 48.1 | Very low | 53 Ų | 53 | 84.2 Ų | 84.2 | 55% | 0.546 | 54% | 0.541 | S | S | . | . | trans | -106 | 132.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | M1 V5 | M1-G3 PolarHBondContact O-N 2.83Å; G3-V5 WeakPolarHBondContact O-CG2 3.31Å; G3-V5 PolarHBondContact O-N 3.34Å | ||
| 4 | N | 31.1 | Very low | 50.1 | Low | 178 Ų | 178 | 83.9 Ų | 83.9 | 95% | 0.952 | 56% | 0.562 | S | S | * | * | trans | -28 | 102.9 | 179.7 | -79.3 | -19.9 | 0 | 0 | 0 | 113.9 | A6 | N4-A6 PolarHBondContact O-N 3.49Š| ||
| 5 | V | 34.3 | Very low | 52 | Low | 83 Ų | 83 | 81.2 Ų | 81.2 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | trans | -83 | 108.4 | 177.9 | -162.4 | 0 | 0 | 0 | 0 | 108.1 | G3 L7 A65 | G3-V5 WeakPolarHBondContact O-CG2 3.31Å; G3-V5 PolarHBondContact O-N 3.34Å; V5-L7 VanDerWaalsContact C-N 3.29Å; V5-L7 HydrophobicContact CB-CD1 4.32Å; V5-L7 HydrophobicContact CB-CG 4.34Å; V5-L7 HydrophobicContact CG1-CD1 4.01Å; V5-L7 HydrophobicContact CG1-CD2 4.33Å; V5-L7 HydrophobicContact CG1-CG 3.73Å; V5-L7 PolarHBondContact O-N 2.91Å; V5-A65 HydrophobicContact CG1-CB 4.13Å | ||
| 6 | A | 33.2 | Very low | 53.9 | Low | 49 Ų | 49 | 82.5 Ų | 82.5 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | trans | -72.9 | 82.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N4 | N4-A6 PolarHBondContact O-N 3.49Š| ||
| 7 | L | 40.7 | Very low | 55.9 | Low | 31 Ų | 31 | 81.6 Ų | 81.6 | 16% | 0.162 | 54% | 0.536 | C | S | . | . | trans | -94.6 | 113.3 | 176.2 | -75 | 162.6 | 0 | 0 | 0 | 110.8 | V5 A65 P66 K223 | V5-L7 VanDerWaalsContact C-N 3.29Å; V5-L7 HydrophobicContact CB-CD1 4.32Å; V5-L7 HydrophobicContact CB-CG 4.34Å; V5-L7 HydrophobicContact CG1-CD1 4.01Å; V5-L7 HydrophobicContact CG1-CD2 4.33Å; V5-L7 HydrophobicContact CG1-CG 3.73Å; V5-L7 PolarHBondContact O-N 2.91Å; L7-A65 HydrophobicContact CD2-CB 3.74Å; L7-P66 HydrophobicContact CD1-CB 4.25Å; L7-P66 HydrophobicContact CD1-CG 4.27Å; L7-P66 WeakPolarHBondContact CD2-O 3.42Å; L7-K223 WeakPolarHBondContact O-CD 3.39Å; L7-K223 PolarHBondContact O-NZ 3.42Å | ||
| 8 | A | 48.3 | Very low | 57.6 | Low | 5 Ų | 5 | 78.2 Ų | 78.2 | 4% | 0.041 | 52% | 0.515 | C | S | . | . | S | Bend | trans | 70 | 171 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117 | D10 N220 K223 N519 | A8-D10 VanDerWaalsContact C-N 3.28Å; A8-D10 PolarHBondContact O-N 2.92Å; A8-N220 WeakPolarHBondContact CB-ND2 3.3Å; A8-K223 HydrophobicContact CB-CB 4.08Å; A8-K223 HydrophobicContact CB-CD 4.12Å; A8-N519 VanDerWaalsContact CA-OD1 3.27Å; A8-N519 WeakPolarHBondContact CA-OD1 3.32Å |
| 9 | A | 54.4 | Low | 59 | Low | 7 Ų | 7 | 84.7 Ų | 84.7 | 6% | 0.058 | 54% | 0.537 | C | S | . | . | trans | -56.1 | 77.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V11 V225 R518 | A9-V11 VanDerWaalsContact C-N 3.33Å; A9-V11 PolarHBondContact O-N 3.19Å; A9-V225 HydrophobicContact CB-CG2 4.08Å; A9-R518 WeakPolarHBondContact CB-O 3.49Å | ||
| 10 | D | 66 | Low | 60.4 | Low | 91 Ų | 91 | 86.5 Ų | 86.5 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | trans | -69 | 97.5 | 165.5 | -72.7 | -29.8 | 0 | 0 | 0 | 106.5 | A8 P12 K223 | A8-D10 VanDerWaalsContact C-N 3.28Å; A8-D10 PolarHBondContact O-N 2.92Å; D10-P12 WeakPolarHBondContact O-CD 3.18Å; D10-K223 IonicContact OD1-NZ 2.68Å; D10-K223 PolarHBondContact OD1-NZ 3.44Å; D10-K223 IonicContact OD2-NZ 3.32Å | ||
| 11 | V | 73.3 | Confident | 61.9 | Low | 53 Ų | 53 | 83 Ų | 83 | 32% | 0.321 | 51% | 0.514 | S | S | . | . | trans | -64.6 | 113.7 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 106.7 | A9 A13 V15 L17 V225 | A9-V11 VanDerWaalsContact C-N 3.33Å; A9-V11 PolarHBondContact O-N 3.19Å; V11-A13 PolarHBondContact O-N 3.21Å; V11-V15 HydrophobicContact CG1-CB 3.96Å; V11-V15 HydrophobicContact CG1-CG1 4.3Å; V11-L17 HydrophobicContact CG1-CD2 4.13Å; V11-L17 HydrophobicContact CG1-CG 4.5Å; V11-L17 HydrophobicContact CG2-CD1 4.46Å; V11-L17 HydrophobicContact CG2-CD2 4.4Å; V11-V225 HydrophobicContact CG2-CG2 4.07Å | ||
| 12 | P | 76 | Confident | 64.9 | Low | 66 Ų | 66 | 72.4 Ų | 72.4 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | trans | -57.2 | 138.4 | -179.4 | -23.6 | 33.9 | 0 | 0 | 0 | 110.1 | D10 G14 V15 R521 | D10-P12 WeakPolarHBondContact O-CD 3.18Å; P12-G14 PolarHBondContact O-N 3.33Å; P12-V15 HydrophobicContact CB-CG2 4.04Å; P12-V15 HydrophobicContact CG-CG2 4.28Å; P12-V15 WeakPolarHBondContact O-CG2 3.26Å; P12-V15 PolarHBondContact O-N 2.83Å; P12-V15 VanDerWaalsContact O-N 3.09Å; P12-R521 VanDerWaalsContact CD-CZ 3.41Å | ||
| 13 | A | 76.4 | Confident | 68.1 | Low | 111 Ų | 111 | 66.8 Ų | 66.8 | 92% | 0.917 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 127.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V11 | V11-A13 PolarHBondContact O-N 3.21Š|
| 14 | G | 76.4 | Confident | 71.3 | Confident | 81 Ų | 81 | 65 Ų | 65 | 84% | 0.835 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | -5.7 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | P12 T16 | P12-G14 PolarHBondContact O-N 3.33Å; G14-T16 PolarHBondContact O-N 3.11Å |
| 15 | V | 79.1 | Confident | 74.5 | Confident | 43 Ų | 43 | 57 Ų | 57 | 26% | 0.261 | 35% | 0.351 | S | S | . | . | trans | -78.7 | 115.8 | 173.7 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | V11 P12 R523 | V11-V15 HydrophobicContact CG1-CB 3.96Å; V11-V15 HydrophobicContact CG1-CG1 4.3Å; P12-V15 HydrophobicContact CB-CG2 4.04Å; P12-V15 HydrophobicContact CG-CG2 4.28Å; P12-V15 WeakPolarHBondContact O-CG2 3.26Å; P12-V15 PolarHBondContact O-N 2.83Å; P12-V15 VanDerWaalsContact O-N 3.09Å; V15-R523 HydrophobicContact CG1-CG 3.9Å | ||
| 16 | T | 82 | Confident | 77.5 | Confident | 102 Ų | 102 | 53.3 Ų | 53.3 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 134.7 | 169.6 | -44.8 | 0 | 0 | 0 | 0 | 110.1 | G14 P524 | G14-T16 PolarHBondContact O-N 3.11Å; T16-P524 HydrophobicContact CG2-CG 3.74Å; T16-P524 WeakPolarHBondContact O-CD 3.24Å |
| 17 | L | 87.4 | Confident | 80.6 | Confident | 68 Ų | 68 | 51 Ų | 51 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 146.3 | 176.3 | -63.2 | 178.2 | 0 | 0 | 0 | 110.8 | V11 V225 R521 H522 | V11-L17 HydrophobicContact CG1-CD2 4.13Å; V11-L17 HydrophobicContact CG1-CG 4.5Å; V11-L17 HydrophobicContact CG2-CD1 4.46Å; V11-L17 HydrophobicContact CG2-CD2 4.4Å; L17-V225 HydrophobicContact CD1-CG1 3.93Å; L17-V225 HydrophobicContact CD2-CG1 4.32Å; L17-R521 HydrophobicContact CD2-CB 3.98Å; L17-R521 HydrophobicContact CD2-CG 4.34Å; L17-H522 WeakPolarHBondContact CA-O 3.44Å |
| 18 | A | 87.2 | Confident | 83.2 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 148.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q21 H522 | A18-Q21 PolarHBondContact O-NE2 3.44Å; A18-H522 HydrophobicContact CB-CB 3.95Å; A18-H522 PolarHBondContact N-O 3.34Å |
| 19 | E | 83.8 | Confident | 85.3 | Confident | 202 Ų | 202 | 50.5 Ų | 50.5 | 94% | 0.944 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -63.6 | -43.4 | 175 | -173.4 | -179.7 | 177 | 0 | 0 | 111.1 | ||
| 20 | K | 88 | Confident | 87.3 | Confident | 121 Ų | 121 | 51 Ų | 51 | 53% | 0.526 | 31% | 0.311 | S | S | . | . | trans | -89.5 | 115.1 | 174.1 | -166.8 | -179.2 | 179.2 | -163.2 | 0 | 110.1 | T22 E833 | K20-T22 HydrophobicContact CD-CG2 4.33Å; K20-T22 VanDerWaalsContact CE-OG1 3.24Å; K20-T22 WeakPolarHBondContact CE-OG1 3.49Å; K20-T22 HydrophobicContact CG-CG2 3.89Å; K20-E833 IonicContact NZ-OE1 2.98Å; K20-E833 PolarHBondContact NZ-OE1 3.48Å | ||
| 21 | Q | 92 | Very high | 88.7 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | trans | -104.8 | 72.1 | 177.2 | -68.2 | -65 | -41.8 | 0 | 0 | 110.1 | A18 V225 I226 N227 H522 | A18-Q21 PolarHBondContact O-NE2 3.44Å; Q21-V225 VanDerWaalsContact CB-O 3.31Å; Q21-V225 WeakPolarHBondContact CB-O 3.46Å; Q21-V225 HydrophobicContact CG-CG1 4.06Å; Q21-I226 HydrophobicContact CB-CD1 4.34Å; Q21-N227 PolarHBondContact O-N 3.06Å; Q21-H522 PolarHBondContact NE2-O 2.95Å | ||
| 22 | T | 94.4 | Very high | 89.7 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 16% | 0.16 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.2 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | K20 Q228 H522 | K20-T22 HydrophobicContact CD-CG2 4.33Å; K20-T22 VanDerWaalsContact CE-OG1 3.24Å; K20-T22 WeakPolarHBondContact CE-OG1 3.49Å; K20-T22 HydrophobicContact CG-CG2 3.89Å; T22-Q228 VanDerWaalsContact CA-O 3.31Å; T22-Q228 WeakPolarHBondContact CA-O 2.82Å; T22-Q228 HydrophobicContact CG2-CB 4.1Å; T22-H522 PolarHBondContact O-CE1 2.83Å; T22-H522 PolarHBondContact O-ND1 2.75Å; T22-H522 PolarHBondContact O-NE2 3.06Å |
| 23 | L | 96 | Very high | 90.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.7 | -178.6 | -176.7 | 72.2 | 0 | 0 | 0 | 110.6 | R25 I226 Q228 V229 T230 D250 M251 V503 T517 I520 H522 | L23-R25 HydrophobicContact CD2-CG 3.75Å; L23-R25 HydrophobicContact CG-CG 3.94Å; L23-I226 HydrophobicContact CB-CD1 4.26Å; L23-I226 HydrophobicContact CB-CG2 4.11Å; L23-Q228 PolarHBondContact N-O 2.87Å; L23-V229 HydrophobicContact CB-CB 4.42Å; L23-V229 HydrophobicContact CB-CG2 4.17Å; L23-V229 HydrophobicContact CD2-CG2 4.09Å; L23-V229 HydrophobicContact CG-CG2 4.33Å; L23-V229 CarbonylContact O-C 3.59Å; L23-V229 VanDerWaalsContact O-CA 3.27Å; L23-V229 WeakPolarHBondContact O-CA 3.42Å; L23-T230 PolarHBondContact O-N 2.88Å; L23-D250 HydrophobicContact CD1-CB 3.58Å; L23-M251 HydrophobicContact CD1-CG 4.39Å; L23-M251 HydrophobicContact CD1-SD 4.31Å; L23-M251 HydrophobicContact CD2-SD 4.28Å; L23-V503 HydrophobicContact CD1-CG1 4.44Å; L23-V503 HydrophobicContact CD1-CG2 4.02Å; L23-T517 HydrophobicContact CD2-CG2 3.7Å; L23-I520 HydrophobicContact CD1-CG2 4.26Å; L23-I520 HydrophobicContact CD2-CB 4.46Å; L23-I520 HydrophobicContact CD2-CG2 4.01Å; L23-H522 WeakPolarHBondContact CD1-NE2 3.36Å |
| 24 | V | 96.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.9 | 170.5 | -174 | 0 | 0 | 0 | 0 | 109.9 | T230 L232 E248 I249 D250 M251 | V24-T230 WeakPolarHBondContact CA-O 3.31Å; V24-L232 HydrophobicContact CG1-CD1 3.78Å; V24-L232 HydrophobicContact CG1-CG 4.03Å; V24-E248 WeakPolarHBondContact CB-O 3.29Å; V24-E248 WeakPolarHBondContact CG1-O 3.11Å; V24-I249 HydrophobicContact CG1-CG1 4.2Å; V24-D250 PolarHBondContact N-OD2 2.76Å; V24-D250 WeakPolarHBondContact O-CA 3.39Å; V24-D250 WeakPolarHBondContact O-CB 3.28Å; V24-D250 PolarHBondContact O-N 2.74Å; V24-M251 PolarHBondContact O-N 3.01Å |
| 25 | R | 98.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.1 | 178 | -57.3 | -178.4 | 66.4 | -172.4 | 1.2 | 109.6 | L23 V229 T230 Y231 L232 M251 | L23-R25 HydrophobicContact CD2-CG 3.75Å; L23-R25 HydrophobicContact CG-CG 3.94Å; R25-V229 HydrophobicContact CG-CG2 4.23Å; R25-T230 PolarHBondContact N-O 3.24Å; R25-Y231 HydrophobicContact CB-CD1 4.09Å; R25-Y231 HydrophobicContact CB-CE1 4.16Å; R25-Y231 PolarHBondContact NH1-OH 3.25Å; R25-Y231 CarbonylContact O-C 3.56Å; R25-Y231 WeakPolarHBondContact O-CA 3.35Å; R25-L232 PolarHBondContact O-N 2.91Å; R25-M251 WeakPolarHBondContact CA-O 3.43Å; R25-M251 HydrophobicContact CG-CB 4.28Å; R25-M251 HydrophobicContact CG-SD 4.41Å |
| 26 | N | 98.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 145.6 | 157.8 | -172 | 35.3 | 0 | 0 | 0 | 109.9 | G28 L232 I234 D240 I249 M251 | N26-G28 PolarHBondContact OD1-N 3Å; N26-L232 PolarHBondContact OD1-O 3.07Å; N26-I234 PolarHBondContact ND2-O 3.48Å; N26-I234 WeakPolarHBondContact OD1-CA 3.09Å; N26-I234 VanDerWaalsContact OD1-CB 3.26Å; N26-I234 WeakPolarHBondContact OD1-CB 3.28Å; N26-I234 PolarHBondContact OD1-N 3.01Å; N26-I234 PolarHBondContact OD1-O 2.95Å; N26-D240 VanDerWaalsContact CB-CG 3.47Å; N26-D240 WeakPolarHBondContact CB-OD1 3.43Å; N26-D240 WeakPolarHBondContact CB-OD2 3.18Å; N26-D240 PolarHBondContact ND2-OD2 3.24Å; N26-I249 HydrophobicContact CB-CD1 4.16Å; N26-M251 PolarHBondContact N-O 3.15Å |
| 27 | N | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | trans | -121.7 | 10 | -177.4 | -154.8 | 41.4 | 0 | 0 | 0 | 113.1 | S29 P43 N46 Y231 L232 | N27-S29 PolarHBondContact O-N 3.48Å; N27-P43 WeakPolarHBondContact ND2-CA 3.46Å; N27-P43 PolarHBondContact ND2-O 3.11Å; N27-P43 WeakPolarHBondContact O-CB 3.16Å; N27-P43 WeakPolarHBondContact O-CG 3.37Å; N27-N46 VanDerWaalsContact OD1-CB 3.3Å; N27-N46 WeakPolarHBondContact OD1-CB 3.28Å; N27-N46 PolarHBondContact OD1-ND2 3.26Å; N27-Y231 HydrophobicContact CB-CD1 3.96Å; N27-L232 WeakPolarHBondContact CA-O 3.45Å; N27-L232 WeakPolarHBondContact CB-O 3.43Å; N27-L232 PolarHBondContact N-O 2.99Å | ||
| 28 | G | 94.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 12% | 0.124 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 78 | -33.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N26 I234 A235 | N26-G28 PolarHBondContact OD1-N 3Å; G28-I234 WeakPolarHBondContact CA-O 3.39Å; G28-I234 CarbonylContact O-C 3.55Å; G28-A235 WeakPolarHBondContact O-CA 3.34Å; G28-A235 WeakPolarHBondContact O-CB 3.11Å; G28-A235 PolarHBondContact O-N 2.86Å |
| 29 | S | 94 | Very high | 95.4 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -162.3 | 173.1 | 177.1 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | N27 P233 W405 | N27-S29 PolarHBondContact O-N 3.48Å; S29-P233 WeakPolarHBondContact O-CA 3.48Å; S29-P233 WeakPolarHBondContact O-CB 3.35Å; S29-W405 WeakPolarHBondContact OG-CB 3.22Å; S29-W405 VanDerWaalsContact OG-CD1 3.24Å; S29-W405 VanDerWaalsContact OG-CG 3.28Å |
| 30 | E | 95.8 | Very high | 96 | Very high | 16 Ų | 16 | 19 Ų | 19 | 8% | 0.075 | 10% | 0.097 | C | C | . | . | trans | -65.4 | 142.7 | 162.2 | -174.1 | 63.5 | -159.3 | 0 | 0 | 109 | W204 V206 N207 P233 | E30-W204 PolarHBondContact OE1-NE1 3.09Å; E30-V206 HydrophobicContact CG-CG1 4.1Å; E30-N207 PolarHBondContact OE2-N 2.78Å; E30-P233 HydrophobicContact CB-CB 4.2Å; E30-P233 VanDerWaalsContact N-CB 3.29Å | ||
| 31 | V | 96 | Very high | 96.4 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 4% | 0.036 | 8% | 0.075 | C | C | . | . | trans | -79.7 | 146.4 | -179.8 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | S33 L34 P43 E44 I47 W204 I210 | V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 3.04Å; V31-L34 HydrophobicContact CG2-CD2 4.08Å; V31-P43 HydrophobicContact CG1-CB 4.35Å; V31-E44 VanDerWaalsContact CA-OE1 3.32Å; V31-E44 WeakPolarHBondContact CA-OE1 3.31Å; V31-E44 HydrophobicContact CB-CG 4.02Å; V31-E44 HydrophobicContact CG1-CG 4.28Å; V31-I47 HydrophobicContact CG1-CD1 3.79Å; V31-W204 HydrophobicContact CG2-CZ2 4.08Å; V31-I210 HydrophobicContact CG2-CD1 3.71Å | ||
| 32 | Q | 93.2 | Very high | 96.6 | Very high | 29 Ų | 29 | 14.6 Ų | 14.6 | 14% | 0.136 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -58.4 | -42.9 | 172.8 | -72.8 | 176.4 | -57.4 | 0 | 0 | 112.1 | E40 E44 K406 L409 | Q32-E40 PolarHBondContact NE2-OE1 3.42Å; Q32-E44 HydrophobicContact CB-CG 4.27Å; Q32-E44 PolarHBondContact N-OE1 3.45Å; Q32-K406 HydrophobicContact CG-CB 4.12Å; Q32-K406 HydrophobicContact CG-CG 4.09Å; Q32-K406 PolarHBondContact O-NZ 2.74Å; Q32-L409 HydrophobicContact CG-CD1 3.97Å; Q32-L409 VanDerWaalsContact NE2-CD1 3.26Å |
| 33 | S | 96.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 13.5 Ų | 13.5 | 15% | 0.154 | 8% | 0.075 | C | C | . | . | trans | -163.8 | 166.2 | -176.4 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | V31 D35 I39 | V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 3.04Å; S33-D35 WeakPolarHBondContact OG-CB 3.32Å; S33-D35 PolarHBondContact OG-N 3.1Å; S33-I39 WeakPolarHBondContact O-CG2 3.28Å | ||
| 34 | L | 98.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 3% | 0.031 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -103.3 | 0.9 | 164.4 | -64.6 | 179.9 | 0 | 0 | 0 | 112.4 | V31 P36 I47 L51 F52 T188 L201 W204 I210 | V31-L34 HydrophobicContact CG2-CD2 4.08Å; L34-P36 WeakPolarHBondContact O-CD 3.39Å; L34-I47 HydrophobicContact CD2-CB 4.29Å; L34-I47 HydrophobicContact CD2-CG2 3.66Å; L34-L51 HydrophobicContact CD2-CD1 4.37Å; L34-F52 WeakPolarHBondContact O-CE2 3.49Å; L34-T188 HydrophobicContact CB-CG2 4.12Å; L34-L201 HydrophobicContact CD1-CD1 4.05Å; L34-L201 HydrophobicContact CD1-CD2 3.67Å; L34-L201 HydrophobicContact CD1-CG 4.48Å; L34-W204 HydrophobicContact CD1-CD2 4.17Å; L34-W204 HydrophobicContact CD1-CE3 3.68Å; L34-W204 HydrophobicContact CD1-CZ3 3.91Å; L34-W204 HydrophobicContact CG-CE3 4.26Å; L34-W204 HydrophobicContact CG-CH2 4.28Å; L34-W204 HydrophobicContact CG-CZ3 4.03Å; L34-I210 HydrophobicContact CD2-CD1 4.23Å |
| 35 | D | 98.2 | Very high | 96.9 | Very high | 8 Ų | 8 | 13.3 Ų | 13.3 | 4% | 0.043 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -82.3 | 117.6 | 176.6 | -179.2 | -25.5 | 0 | 0 | 0 | 109.3 | S33 H37 K38 I39 R107 W187 T188 | S33-D35 WeakPolarHBondContact OG-CB 3.32Å; S33-D35 PolarHBondContact OG-N 3.1Å; D35-H37 PolarHBondContact O-N 3.44Å; D35-H37 PolarHBondContact OD1-N 3.12Å; D35-K38 HydrophobicContact CB-CB 4.03Å; D35-K38 HydrophobicContact CB-CG 3.94Å; D35-K38 PolarHBondContact O-N 2.71Å; D35-I39 WeakPolarHBondContact O-CG2 3.43Å; D35-R107 IonicContact OD1-CZ 3.53Å; D35-R107 IonicContact OD1-NH1 3.83Å; D35-R107 PolarHBondContact OD1-NH1 2.87Å; D35-R107 IonicContact OD1-NH2 2.7Å; D35-R107 IonicContact OD2-CZ 3.4Å; D35-R107 IonicContact OD2-NH1 3.56Å; D35-R107 PolarHBondContact OD2-NH1 3.45Å; D35-R107 IonicContact OD2-NH2 2.62Å; D35-R107 PolarHBondContact OD2-NH2 2.7Å; D35-W187 HydrophobicContact CB-CZ2 3.67Å; D35-W187 VanDerWaalsContact CG-CZ2 3.46Å; D35-W187 PolarHBondContact OD2-NE1 3.03Å; D35-T188 HydrophobicContact CB-CG2 3.92Å |
| 36 | P | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.8 | -176.6 | -26.8 | 34.8 | 0 | 0 | 0 | 115.4 | L34 I39 F52 P170 V175 | L34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-I39 WeakPolarHBondContact O-CG1 3.47Å; P36-F52 HydrophobicContact CG-CB 4.28Å; P36-F52 HydrophobicContact CG-CD1 4.41Å; P36-F52 HydrophobicContact CG-CD2 3.5Å; P36-F52 HydrophobicContact CG-CE2 3.86Å; P36-F52 HydrophobicContact CG-CG 3.81Å; P36-F52 HydrophobicContact CG-CZ 4.45Å; P36-P170 WeakPolarHBondContact CB-O 3.37Å; P36-V175 HydrophobicContact CB-CG1 4.34Å; P36-V175 HydrophobicContact CG-CG1 3.86Å |
| 37 | H | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 13.6 | 177.3 | -51.2 | 161.4 | 0 | 0 | 0 | 113.3 | D35 S104 R107 T113 S115 | D35-H37 PolarHBondContact O-N 3.44Å; D35-H37 PolarHBondContact OD1-N 3.12Å; H37-S104 PolarHBondContact CE1-O 3.42Å; H37-R107 PolarHBondContact ND1-NH1 2.97Å; H37-T113 HydrophobicContact CB-CG2 3.79Å; H37-S115 VanDerWaalsContact O-CA 3.25Å; H37-S115 WeakPolarHBondContact O-CA 3.2Å; H37-S115 VanDerWaalsContact O-CB 3.22Å; H37-S115 WeakPolarHBondContact O-CB 3.33Å; H37-S115 PolarHBondContact O-OG 3.01Å |
| 38 | K | 97.2 | Very high | 97 | Very high | 74 Ų | 74 | 12.8 Ų | 12.8 | 32% | 0.322 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -133.5 | 20.3 | -179.5 | -60.3 | -70.4 | -167.5 | 162.8 | 0 | 112.3 | D35 T113 | D35-K38 HydrophobicContact CB-CB 4.03Å; D35-K38 HydrophobicContact CB-CG 3.94Å; D35-K38 PolarHBondContact O-N 2.71Å; K38-T113 WeakPolarHBondContact CE-O 3.22Å; K38-T113 PolarHBondContact NZ-O 3.44Å |
| 39 | I | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | trans | -128.1 | 152 | -175.6 | 60.2 | 168.1 | 0 | 0 | 0 | 110.2 | S33 D35 P36 E44 P116 Y117 P170 | S33-I39 WeakPolarHBondContact O-CG2 3.28Å; D35-I39 WeakPolarHBondContact O-CG2 3.43Å; P36-I39 WeakPolarHBondContact O-CG1 3.47Å; I39-E44 HydrophobicContact CB-CB 3.48Å; I39-E44 VanDerWaalsContact CB-CB 3.48Å; I39-E44 HydrophobicContact CB-CG 3.69Å; I39-E44 HydrophobicContact CD1-CB 3.92Å; I39-E44 HydrophobicContact CG1-CB 4.26Å; I39-E44 HydrophobicContact CG2-CB 3.59Å; I39-E44 HydrophobicContact CG2-CG 3.56Å; I39-P116 WeakPolarHBondContact O-CG 3.42Å; I39-Y117 WeakPolarHBondContact O-CD2 3.25Å; I39-P170 HydrophobicContact CD1-CB 4.04Å | ||
| 40 | E | 96.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 12.6 Ų | 12.6 | 8% | 0.079 | 7% | 0.066 | C | C | . | . | trans | -141.9 | -7.4 | 175.2 | 73.5 | -168 | 129 | 0 | 0 | 115.6 | Q32 P116 Y117 L409 H413 M444 | Q32-E40 PolarHBondContact NE2-OE1 3.42Å; E40-P116 HydrophobicContact CB-CB 3.98Å; E40-P116 HydrophobicContact CB-CG 3.89Å; E40-Y117 HydrophobicContact CB-CD2 4.17Å; E40-Y117 HydrophobicContact CB-CE2 4.03Å; E40-L409 HydrophobicContact CG-CD1 3.8Å; E40-L409 HydrophobicContact CG-CD2 4.4Å; E40-L409 WeakPolarHBondContact OE1-CB 3.49Å; E40-H413 VanDerWaalsContact CD-NE2 3.35Å; E40-H413 IonicContact OE1-CD2 3.68Å; E40-H413 IonicContact OE1-NE2 3.76Å; E40-H413 PolarHBondContact OE1-NE2 3.12Å; E40-H413 IonicContact OE2-CD2 2.9Å; E40-H413 IonicContact OE2-CE1 2.82Å; E40-H413 IonicContact OE2-NE2 3.23Å; E40-H413 PolarHBondContact OE2-NE2 2.8Å; E40-M444 HydrophobicContact CB-CE 3.86Å; E40-M444 HydrophobicContact CB-SD 4.32Å; E40-M444 HydrophobicContact CG-CE 4.48Å | ||
| 41 | G | 95.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 11.9 Ų | 11.9 | 7% | 0.072 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -105.4 | 165.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E44 S45 | G41-E44 VanDerWaalsContact C-OE2 3.27Å; G41-E44 WeakPolarHBondContact CA-OE2 3.03Å; G41-E44 PolarHBondContact N-OE2 2.74Å; G41-E44 PolarHBondContact O-N 2.95Å; G41-S45 WeakPolarHBondContact O-CB 3.29Å; G41-S45 PolarHBondContact O-N 3.06Å; G41-S45 PolarHBondContact O-OG 3.14Å; G41-S45 VanDerWaalsContact O-OG 3.12Å |
| 42 | V | 97.2 | Very high | 97.6 | Very high | 32 Ų | 32 | 11.7 Ų | 11.7 | 19% | 0.194 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 112.7 | E44 S45 N46 Y253 C425 | V42-E44 VanDerWaalsContact C-N 3.28Å; V42-E44 PolarHBondContact O-N 3.07Å; V42-S45 PolarHBondContact O-N 3.29Å; V42-N46 PolarHBondContact O-N 2.99Å; V42-N46 PolarHBondContact O-ND2 3.2Å; V42-Y253 HydrophobicContact CG1-CE2 4.27Å; V42-C425 HydrophobicContact CG2-CB 4.46Å |
| 43 | P | 97.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 10.7 Ų | 10.7 | 3% | 0.026 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -54.9 | -44.2 | 175.2 | -27.6 | 36.9 | 0 | 0 | 0 | 112.6 | N27 V31 | N27-P43 WeakPolarHBondContact ND2-CA 3.46Å; N27-P43 PolarHBondContact ND2-O 3.11Å; N27-P43 WeakPolarHBondContact O-CB 3.16Å; N27-P43 WeakPolarHBondContact O-CG 3.37Å; V31-P43 HydrophobicContact CG1-CB 4.35Å |
| 44 | E | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66 | -48.6 | 178.1 | -65 | 68.3 | -157.1 | 0 | 0 | 111.4 | V31 Q32 I39 G41 V42 N46 I47 S48 W405 | V31-E44 VanDerWaalsContact CA-OE1 3.32Å; V31-E44 WeakPolarHBondContact CA-OE1 3.31Å; V31-E44 HydrophobicContact CB-CG 4.02Å; V31-E44 HydrophobicContact CG1-CG 4.28Å; Q32-E44 HydrophobicContact CB-CG 4.27Å; Q32-E44 PolarHBondContact N-OE1 3.45Å; I39-E44 HydrophobicContact CB-CB 3.48Å; I39-E44 VanDerWaalsContact CB-CB 3.48Å; I39-E44 HydrophobicContact CB-CG 3.69Å; I39-E44 HydrophobicContact CD1-CB 3.92Å; I39-E44 HydrophobicContact CG1-CB 4.26Å; I39-E44 HydrophobicContact CG2-CB 3.59Å; I39-E44 HydrophobicContact CG2-CG 3.56Å; G41-E44 VanDerWaalsContact C-OE2 3.27Å; G41-E44 WeakPolarHBondContact CA-OE2 3.03Å; G41-E44 PolarHBondContact N-OE2 2.74Å; G41-E44 PolarHBondContact O-N 2.95Å; V42-E44 VanDerWaalsContact C-N 3.28Å; V42-E44 PolarHBondContact O-N 3.07Å; E44-N46 VanDerWaalsContact C-N 3.31Å; E44-N46 PolarHBondContact O-N 3.2Å; E44-I47 PolarHBondContact O-N 3.07Å; E44-S48 WeakPolarHBondContact O-CB 3.38Å; E44-S48 PolarHBondContact O-N 2.92Å; E44-W405 VanDerWaalsContact OE1-CD1 3.31Å; E44-W405 PolarHBondContact OE1-NE1 3.44Å; E44-W405 VanDerWaalsContact OE1-NE1 3.07Å; E44-W405 PolarHBondContact OE2-NE1 3.16Å |
| 45 | S | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 9.5 Ų | 9.5 | 6% | 0.063 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.8 | -33.9 | -179.1 | -66.9 | 0 | 0 | 0 | 0 | 113.1 | G41 V42 I47 S48 R49 | G41-S45 WeakPolarHBondContact O-CB 3.29Å; G41-S45 PolarHBondContact O-N 3.06Å; G41-S45 PolarHBondContact O-OG 3.14Å; G41-S45 VanDerWaalsContact O-OG 3.12Å; V42-S45 PolarHBondContact O-N 3.29Å; S45-I47 VanDerWaalsContact C-N 3.34Å; S45-I47 PolarHBondContact O-N 3.24Å; S45-S48 PolarHBondContact O-N 3.19Å; S45-R49 WeakPolarHBondContact O-CG 3.43Å; S45-R49 PolarHBondContact O-N 2.99Å; S45-R49 PolarHBondContact O-NE 2.9Å |
| 46 | N | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 9.2 Ų | 9.2 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.2 | -47.2 | 173.8 | -81.4 | -26.4 | 0 | 0 | 0 | 112.2 | N27 V42 E44 R49 Y231 | N27-N46 VanDerWaalsContact OD1-CB 3.3Å; N27-N46 WeakPolarHBondContact OD1-CB 3.28Å; N27-N46 PolarHBondContact OD1-ND2 3.26Å; V42-N46 PolarHBondContact O-N 2.99Å; V42-N46 PolarHBondContact O-ND2 3.2Å; E44-N46 VanDerWaalsContact C-N 3.31Å; E44-N46 PolarHBondContact O-N 3.2Å; N46-R49 PolarHBondContact OD1-NH2 3.09Å; N46-Y231 HydrophobicContact CB-CE1 4.24Å; N46-Y231 PolarHBondContact O-OH 3.1Å |
| 47 | I | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -76.9 | -40.3 | -179.4 | -55 | -173.4 | 0 | 0 | 0 | 110 | V31 L34 E44 S45 R49 D50 L51 I210 L212 Y231 | V31-I47 HydrophobicContact CG1-CD1 3.79Å; L34-I47 HydrophobicContact CD2-CB 4.29Å; L34-I47 HydrophobicContact CD2-CG2 3.66Å; E44-I47 PolarHBondContact O-N 3.07Å; S45-I47 VanDerWaalsContact C-N 3.34Å; S45-I47 PolarHBondContact O-N 3.24Å; I47-R49 VanDerWaalsContact C-N 3.28Å; I47-R49 PolarHBondContact O-N 3.42Å; I47-D50 PolarHBondContact O-N 2.7Å; I47-D50 VanDerWaalsContact O-N 3.1Å; I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.33Å; I47-L51 PolarHBondContact O-N 3.39Å; I47-I210 HydrophobicContact CD1-CB 4.2Å; I47-I210 HydrophobicContact CD1-CD1 3.42Å; I47-I210 VanDerWaalsContact CD1-CD1 3.42Å; I47-I210 HydrophobicContact CD1-CG1 4.4Å; I47-I210 HydrophobicContact CD1-CG2 4.19Å; I47-I210 HydrophobicContact CG2-CG2 4.29Å; I47-L212 HydrophobicContact CG2-CD1 4.2Å; I47-L212 HydrophobicContact CG2-CD2 4.39Å; I47-Y231 HydrophobicContact CD1-CD2 4.26Å; I47-Y231 HydrophobicContact CD1-CG 3.98Å; I47-Y231 HydrophobicContact CG1-CD1 4.03Å; I47-Y231 HydrophobicContact CG1-CD2 3.92Å; I47-Y231 HydrophobicContact CG1-CE1 4.31Å; I47-Y231 HydrophobicContact CG1-CE2 4.21Å; I47-Y231 HydrophobicContact CG1-CG 3.82Å |
| 48 | S | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.6 | -36.1 | -179.6 | -165.7 | 0 | 0 | 0 | 0 | 112.6 | E44 S45 D50 L51 F52 | E44-S48 WeakPolarHBondContact O-CB 3.38Å; E44-S48 PolarHBondContact O-N 2.92Å; S45-S48 PolarHBondContact O-N 3.19Å; S48-D50 VanDerWaalsContact C-N 3.27Å; S48-D50 PolarHBondContact O-N 3.38Å; S48-L51 PolarHBondContact O-N 3.27Å; S48-F52 PolarHBondContact O-N 3.11Å |
| 49 | R | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 7.1 Ų | 7.1 | 8% | 0.075 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -63.2 | -28.9 | 176.1 | -81 | -175.8 | -70.2 | -93.6 | 3.1 | 114.1 | S45 N46 I47 N514 Y516 | S45-R49 WeakPolarHBondContact O-CG 3.43Å; S45-R49 PolarHBondContact O-N 2.99Å; S45-R49 PolarHBondContact O-NE 2.9Å; N46-R49 PolarHBondContact OD1-NH2 3.09Å; I47-R49 VanDerWaalsContact C-N 3.28Å; I47-R49 PolarHBondContact O-N 3.42Å; R49-N514 PolarHBondContact NH1-OD1 3.15Å; R49-Y516 HydrophobicContact CB-CD1 3.92Å; R49-Y516 HydrophobicContact CB-CE1 3.75Å; R49-Y516 HydrophobicContact CG-CD1 4.5Å; R49-Y516 HydrophobicContact CG-CE1 3.89Å |
| 50 | D | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -82.9 | -28.2 | 177 | -79.2 | -24.3 | 0 | 0 | 0 | 112.1 | I47 S48 A198 Y199 L212 Y231 T517 | I47-D50 PolarHBondContact O-N 2.7Å; I47-D50 VanDerWaalsContact O-N 3.1Å; S48-D50 VanDerWaalsContact C-N 3.27Å; S48-D50 PolarHBondContact O-N 3.38Å; D50-A198 PolarHBondContact O-N 3.31Å; D50-Y199 HydrophobicContact CB-CD2 3.76Å; D50-Y199 HydrophobicContact CB-CG 4.38Å; D50-Y199 PolarHBondContact O-N 3.33Å; D50-L212 HydrophobicContact CB-CD1 3.69Å; D50-Y231 PolarHBondContact OD2-OH 3.36Å; D50-T517 WeakPolarHBondContact OD1-CB 3.07Å; D50-T517 PolarHBondContact OD1-N 2.85Å; D50-T517 PolarHBondContact OD1-OG1 3.26Å; D50-T517 WeakPolarHBondContact OD2-CB 3.5Å; D50-T517 PolarHBondContact OD2-OG1 2.96Å |
| 51 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -92.2 | -40 | -177.9 | -62.7 | 178.9 | 0 | 0 | 0 | 113.8 | L34 I47 S48 I193 T195 N196 G197 L212 | L34-L51 HydrophobicContact CD2-CD1 4.37Å; I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.33Å; I47-L51 PolarHBondContact O-N 3.39Å; S48-L51 PolarHBondContact O-N 3.27Å; L51-I193 HydrophobicContact CD1-CD1 4.44Å; L51-T195 HydrophobicContact CB-CG2 4.18Å; L51-T195 HydrophobicContact CD2-CG2 4.1Å; L51-T195 VanDerWaalsContact O-CB 3.25Å; L51-T195 WeakPolarHBondContact O-CB 3.4Å; L51-N196 PolarHBondContact O-N 2.85Å; L51-G197 WeakPolarHBondContact O-CA 2.77Å; L51-G197 PolarHBondContact O-N 3.36Å; L51-L212 HydrophobicContact CD2-CD1 3.95Å; L51-L212 HydrophobicContact CD2-CD2 3.85Å; L51-L212 HydrophobicContact CD2-CG 4.41Å; L51-L212 HydrophobicContact CG-CD1 4.2Å; L51-L212 HydrophobicContact CG-CD2 4.45Å |
| 52 | F | 98.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 1% | 0.013 | 7% | 0.067 | C | C | . | . | trans | -128.3 | 116.3 | -171 | -54.6 | -79.1 | 0 | 0 | 0 | 111.4 | L34 P36 S48 W90 S173 W187 I193 T195 N196 | L34-F52 WeakPolarHBondContact O-CE2 3.49Å; P36-F52 HydrophobicContact CG-CB 4.28Å; P36-F52 HydrophobicContact CG-CD1 4.41Å; P36-F52 HydrophobicContact CG-CD2 3.5Å; P36-F52 HydrophobicContact CG-CE2 3.86Å; P36-F52 HydrophobicContact CG-CG 3.81Å; P36-F52 HydrophobicContact CG-CZ 4.45Å; S48-F52 PolarHBondContact O-N 3.11Å; F52-W90 HydrophobicContact CD1-CZ3 4.44Å; F52-S173 PolarHBondContact O-OG 3.14Å; F52-W187 AromaticContact CE1-CH2 3.85Å; F52-W187 HydrophobicContact CE1-CH2 3.85Å; F52-W187 AromaticContact CE1-CZ3 3.95Å; F52-W187 HydrophobicContact CE1-CZ3 3.95Å; F52-W187 HydrophobicContact CE2-CH2 4.35Å; F52-W187 AromaticContact CZ-CH2 3.48Å; F52-W187 HydrophobicContact CZ-CH2 3.48Å; F52-W187 VanDerWaalsContact CZ-CH2 3.48Å; F52-W187 AromaticContact CZ-CZ3 3.69Å; F52-W187 HydrophobicContact CZ-CZ3 3.69Å; F52-I193 HydrophobicContact CZ-CD1 4.07Å; F52-I193 HydrophobicContact CZ-CG1 4.35Å; F52-T195 HydrophobicContact CE1-CG2 4.26Å; F52-T195 HydrophobicContact CZ-CG2 4.27Å; F52-N196 VanDerWaalsContact CA-OD1 3.28Å; F52-N196 WeakPolarHBondContact CA-OD1 3.22Å | ||
| 53 | E | 98.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.033 | 8% | 0.081 | C | C | . | . | trans | -99.8 | 122.8 | 178.8 | -172.1 | 171.2 | 93.9 | 0 | 0 | 110.9 | V57 V68 P174 N196 Y218 W219 | E53-V57 HydrophobicContact CG-CG1 3.55Å; E53-V68 HydrophobicContact CB-CG2 4.46Å; E53-V68 HydrophobicContact CG-CG2 4.36Å; E53-V68 WeakPolarHBondContact O-CG2 3.46Å; E53-P174 WeakPolarHBondContact O-CD 3.35Å; E53-N196 PolarHBondContact N-OD1 2.89Å; E53-N196 PolarHBondContact O-ND2 2.86Å; E53-Y218 VanDerWaalsContact OE2-CE2 3.3Å; E53-Y218 WeakPolarHBondContact OE2-CE2 3.39Å; E53-Y218 PolarHBondContact OE2-OH 3.07Å; E53-W219 PolarHBondContact OE1-NE1 3.28Å | ||
| 54 | G | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | trans | -79.1 | -166 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | L56 V68 S173 | G54-L56 VanDerWaalsContact C-N 3.35Å; G54-V68 WeakPolarHBondContact O-CB 3.43Å; G54-V68 WeakPolarHBondContact O-CG2 3.37Å; G54-V68 PolarHBondContact O-N 2.84Å; G54-S173 PolarHBondContact N-OG 3.23Å | ||
| 55 | L | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -60.7 | -47.4 | 175.5 | -65 | 171.2 | 0 | 0 | 0 | 110.6 | G67 V68 A69 F82 L84 F101 W105 L152 L167 | L55-G67 CarbonylContact O-C 3.54Å; L55-G67 VanDerWaalsContact O-CA 3.32Å; L55-G67 WeakPolarHBondContact O-CA 3.34Å; L55-G67 PolarHBondContact O-N 3.14Å; L55-G67 VanDerWaalsContact O-N 3.07Å; L55-V68 PolarHBondContact O-N 2.96Å; L55-A69 HydrophobicContact CB-CB 4.19Å; L55-A69 HydrophobicContact CD2-CB 4.29Å; L55-A69 WeakPolarHBondContact O-CB 3.26Å; L55-A69 PolarHBondContact O-N 2.83Å; L55-F82 HydrophobicContact CB-CD1 4.34Å; L55-F82 HydrophobicContact CD1-CD1 4.11Å; L55-F82 HydrophobicContact CD1-CD2 3.97Å; L55-F82 HydrophobicContact CD1-CE1 4.34Å; L55-F82 HydrophobicContact CD1-CE2 4.19Å; L55-F82 HydrophobicContact CD1-CG 3.95Å; L55-F82 HydrophobicContact CD1-CZ 4.41Å; L55-F82 HydrophobicContact CD2-CB 4.24Å; L55-F82 HydrophobicContact CD2-CG 4.42Å; L55-L84 HydrophobicContact CD2-CD2 3.53Å; L55-F101 HydrophobicContact CD2-CD1 3.87Å; L55-F101 HydrophobicContact CD2-CD2 4.16Å; L55-F101 HydrophobicContact CD2-CE1 3.61Å; L55-F101 HydrophobicContact CD2-CE2 3.93Å; L55-F101 HydrophobicContact CD2-CG 4.14Å; L55-F101 HydrophobicContact CD2-CZ 3.64Å; L55-F101 HydrophobicContact CG-CD1 3.91Å; L55-F101 HydrophobicContact CG-CE1 3.59Å; L55-F101 HydrophobicContact CG-CZ 4.07Å; L55-W105 HydrophobicContact CD1-CH2 3.86Å; L55-W105 HydrophobicContact CD1-CZ2 3.67Å; L55-L152 HydrophobicContact CD1-CD2 3.82Å; L55-L152 HydrophobicContact CD2-CD2 4Å; L55-L152 HydrophobicContact CG-CD2 4.48Å; L55-L167 HydrophobicContact CD1-CD1 4.01Å |
| 56 | L | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 162.8 | 175.7 | -80.6 | 70.3 | 0 | 0 | 0 | 110 | G54 P64 A65 W72 F82 Y164 L167 V168 | G54-L56 VanDerWaalsContact C-N 3.35Å; L56-P64 HydrophobicContact CD2-CB 3.66Å; L56-A65 WeakPolarHBondContact CA-O 3.27Å; L56-A65 WeakPolarHBondContact CB-O 3.34Å; L56-W72 HydrophobicContact CD1-CD2 4.23Å; L56-W72 HydrophobicContact CD1-CE3 3.81Å; L56-W72 HydrophobicContact CD1-CH2 4.48Å; L56-W72 HydrophobicContact CD1-CZ3 3.95Å; L56-W72 HydrophobicContact CD2-CD2 4.44Å; L56-W72 HydrophobicContact CD2-CE3 4.3Å; L56-W72 HydrophobicContact CD2-CH2 3.57Å; L56-W72 HydrophobicContact CD2-CZ2 3.72Å; L56-W72 HydrophobicContact CD2-CZ3 3.87Å; L56-W72 HydrophobicContact CG-CE3 4.2Å; L56-W72 HydrophobicContact CG-CH2 4.01Å; L56-W72 HydrophobicContact CG-CZ3 3.81Å; L56-F82 HydrophobicContact CD1-CD1 4.17Å; L56-F82 HydrophobicContact CD1-CE1 3.92Å; L56-Y164 HydrophobicContact CD2-CD2 4.11Å; L56-L167 HydrophobicContact CB-CB 4.39Å; L56-L167 HydrophobicContact CD1-CD1 4.42Å; L56-V168 HydrophobicContact CB-CG1 4.1Å |
| 57 | V | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 170.3 | 174.6 | -68.1 | 0 | 0 | 0 | 0 | 109 | E53 P64 A65 Y516 | E53-V57 HydrophobicContact CG-CG1 3.55Å; V57-P64 CarbonylContact O-C 3.57Å; V57-P64 WeakPolarHBondContact O-CA 3.24Å; V57-A65 PolarHBondContact N-O 2.89Å; V57-A65 PolarHBondContact O-N 2.91Å; V57-Y516 HydrophobicContact CB-CE1 4.28Å; V57-Y516 HydrophobicContact CG1-CE1 4.15Å |
| 58 | S | 95.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 139.4 | 169.3 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | H63 N514 Y516 | S58-H63 WeakPolarHBondContact CA-O 3.23Å; S58-N514 PolarHBondContact OG-ND2 2.83Å; S58-Y516 PolarHBondContact N-OH 2.87Å; S58-Y516 WeakPolarHBondContact O-CE2 3.39Å |
| 59 | D | 91.5 | Very high | 96.1 | Very high | 27 Ų | 27 | 17.1 Ų | 17.1 | 14% | 0.144 | 9% | 0.093 | C | C | . | . | trans | -73.6 | -175.8 | 163.5 | 73.8 | 11 | 0 | 0 | 0 | 111.5 | D61 G62 H63 A65 | D59-D61 PolarHBondContact O-N 3.11Å; D59-D61 WeakPolarHBondContact OD1-CA 3.41Å; D59-D61 PolarHBondContact OD1-N 3.01Å; D59-G62 PolarHBondContact O-N 3.3Å; D59-G62 PolarHBondContact OD1-N 2.94Å; D59-H63 PolarHBondContact N-O 3.34Å; D59-H63 IonicContact OD1-CG 3.5Å; D59-H63 PolarHBondContact OD1-N 2.99Å; D59-H63 IonicContact OD1-ND1 3.87Å; D59-H63 PolarHBondContact OD1-ND1 2.62Å; D59-H63 WeakPolarHBondContact OD2-CB 3.33Å; D59-H63 IonicContact OD2-CG 2.67Å; D59-H63 IonicContact OD2-ND1 2.72Å; D59-H63 PolarHBondContact OD2-ND1 3.46Å; D59-A65 HydrophobicContact CB-CB 4.16Å | ||
| 60 | L | 90.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 21.4 Ų | 21.4 | 26% | 0.257 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.7 | -178.8 | -75.3 | 177.5 | 0 | 0 | 0 | 114.8 | G505 T507 N519 | L60-G505 WeakPolarHBondContact CD2-O 3.13Å; L60-T507 HydrophobicContact CB-CG2 4.06Å; L60-T507 HydrophobicContact CD1-CG2 4.39Å; L60-T507 HydrophobicContact CD2-CG2 4.39Å; L60-T507 PolarHBondContact O-OG1 3.09Å; L60-N519 HydrophobicContact CD2-CB 3.81Å |
| 61 | D | 89.3 | Confident | 96 | Very high | 63 Ų | 63 | 23.8 Ų | 23.8 | 34% | 0.337 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 5.7 | -179.7 | -64.5 | -42.3 | 0 | 0 | 0 | 111.5 | D59 K509 | D59-D61 PolarHBondContact O-N 3.11Å; D59-D61 WeakPolarHBondContact OD1-CA 3.41Å; D59-D61 PolarHBondContact OD1-N 3.01Å; D61-K509 VanDerWaalsContact OD1-CB 3.32Å; D61-K509 WeakPolarHBondContact OD1-CB 3.25Å; D61-K509 WeakPolarHBondContact OD1-CD 3.41Å |
| 62 | G | 90.7 | Very high | 96 | Very high | 13 Ų | 13 | 27 Ų | 27 | 13% | 0.134 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 88.8 | 3.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D59 D510 | D59-G62 PolarHBondContact O-N 3.3Å; D59-G62 PolarHBondContact OD1-N 2.94Å; G62-D510 WeakPolarHBondContact CA-OD1 3.44Å |
| 63 | H | 92.4 | Very high | 95.9 | Very high | 109 Ų | 109 | 31.4 Ų | 31.4 | 51% | 0.505 | 17% | 0.167 | S | C | . | . | trans | -76.1 | 141.2 | 178.7 | -50.7 | 96.2 | 0 | 0 | 0 | 110.9 | S58 D59 A65 | S58-H63 WeakPolarHBondContact CA-O 3.23Å; D59-H63 PolarHBondContact N-O 3.34Å; D59-H63 IonicContact OD1-CG 3.5Å; D59-H63 PolarHBondContact OD1-N 2.99Å; D59-H63 IonicContact OD1-ND1 3.87Å; D59-H63 PolarHBondContact OD1-ND1 2.62Å; D59-H63 WeakPolarHBondContact OD2-CB 3.33Å; D59-H63 IonicContact OD2-CG 2.67Å; D59-H63 IonicContact OD2-ND1 2.72Å; D59-H63 PolarHBondContact OD2-ND1 3.46Å; H63-A65 PolarHBondContact O-N 3.36Å | ||
| 64 | P | 95.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 35 Ų | 35 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 126.2 | 170.9 | -21.6 | 32.1 | 0 | 0 | 0 | 111.1 | L56 V57 Y164 K165 V168 | L56-P64 HydrophobicContact CD2-CB 3.66Å; V57-P64 CarbonylContact O-C 3.57Å; V57-P64 WeakPolarHBondContact O-CA 3.24Å; P64-Y164 HydrophobicContact CB-CD2 3.98Å; P64-Y164 HydrophobicContact CB-CE2 4.08Å; P64-Y164 HydrophobicContact CG-CD2 4.19Å; P64-Y164 HydrophobicContact CG-CE2 3.96Å; P64-K165 HydrophobicContact CG-CB 4.29Å; P64-K165 HydrophobicContact CG-CG 4.05Å; P64-V168 HydrophobicContact CB-CG1 4.14Å; P64-V168 HydrophobicContact CG-CG1 4.49Å |
| 65 | A | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 161.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V5 L7 L56 V57 D59 H63 G67 | V5-A65 HydrophobicContact CG1-CB 4.13Å; L7-A65 HydrophobicContact CD2-CB 3.74Å; L56-A65 WeakPolarHBondContact CA-O 3.27Å; L56-A65 WeakPolarHBondContact CB-O 3.34Å; V57-A65 PolarHBondContact N-O 2.89Å; V57-A65 PolarHBondContact O-N 2.91Å; D59-A65 HydrophobicContact CB-CB 4.16Å; H63-A65 PolarHBondContact O-N 3.36Å; A65-G67 PolarHBondContact O-N 3.38Å |
| 66 | P | 97.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 122.5 | 179.6 | -29.4 | 36.5 | 0 | 0 | 0 | 114 | L7 A69 W72 | L7-P66 HydrophobicContact CD1-CB 4.25Å; L7-P66 HydrophobicContact CD1-CG 4.27Å; L7-P66 WeakPolarHBondContact CD2-O 3.42Å; P66-A69 WeakPolarHBondContact CA-O 3.04Å; P66-A69 WeakPolarHBondContact CB-O 3.47Å; P66-W72 HydrophobicContact CG-CZ3 4.2Å |
| 67 | G | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -103.2 | -116.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L55 A65 A69 R85 | L55-G67 CarbonylContact O-C 3.54Å; L55-G67 VanDerWaalsContact O-CA 3.32Å; L55-G67 WeakPolarHBondContact O-CA 3.34Å; L55-G67 PolarHBondContact O-N 3.14Å; L55-G67 VanDerWaalsContact O-N 3.07Å; A65-G67 PolarHBondContact O-N 3.38Å; G67-A69 VanDerWaalsContact C-N 3.31Å; G67-A69 PolarHBondContact N-O 2.95Å; G67-R85 PolarHBondContact O-NE 3.09Å; G67-R85 PolarHBondContact O-NH2 3.45Å |
| 68 | V | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -66.1 | -35 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | E53 G54 L55 L84 R85 A88 V96 F101 | E53-V68 HydrophobicContact CB-CG2 4.46Å; E53-V68 HydrophobicContact CG-CG2 4.36Å; E53-V68 WeakPolarHBondContact O-CG2 3.46Å; G54-V68 WeakPolarHBondContact O-CB 3.43Å; G54-V68 WeakPolarHBondContact O-CG2 3.37Å; G54-V68 PolarHBondContact O-N 2.84Å; L55-V68 PolarHBondContact O-N 2.96Å; V68-L84 HydrophobicContact CG1-CB 4.31Å; V68-L84 HydrophobicContact CG1-CD2 4.25Å; V68-L84 WeakPolarHBondContact O-CA 3.39Å; V68-R85 WeakPolarHBondContact O-CG 3.43Å; V68-R85 PolarHBondContact O-N 2.86Å; V68-A88 HydrophobicContact CG1-CB 4.02Å; V68-V96 HydrophobicContact CG1-CG1 4Å; V68-F101 HydrophobicContact CB-CE2 4.3Å; V68-F101 HydrophobicContact CB-CZ 4Å; V68-F101 HydrophobicContact CG1-CE2 3.91Å; V68-F101 HydrophobicContact CG1-CZ 4.14Å; V68-F101 HydrophobicContact CG2-CZ 4.19Å |
| 69 | A | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L55 P66 G67 F82 H83 L84 | L55-A69 HydrophobicContact CB-CB 4.19Å; L55-A69 HydrophobicContact CD2-CB 4.29Å; L55-A69 WeakPolarHBondContact O-CB 3.26Å; L55-A69 PolarHBondContact O-N 2.83Å; P66-A69 WeakPolarHBondContact CA-O 3.04Å; P66-A69 WeakPolarHBondContact CB-O 3.47Å; G67-A69 VanDerWaalsContact C-N 3.31Å; G67-A69 PolarHBondContact N-O 2.95Å; A69-F82 HydrophobicContact CB-CB 4.05Å; A69-F82 HydrophobicContact CB-CD1 4.07Å; A69-H83 CarbonylContact C-O 3.6Å; A69-H83 WeakPolarHBondContact CA-O 3.39Å; A69-L84 HydrophobicContact CB-CD2 4.14Å |
| 70 | E | 97.2 | Very high | 95.7 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -25.7 | 176.2 | 62.1 | 178.6 | -169.5 | 0 | 0 | 112.3 | H83 R85 | E70-H83 WeakPolarHBondContact CG-O 3.47Å; E70-H83 PolarHBondContact N-O 2.84Å; E70-R85 HydrophobicContact CB-CB 4.42Å |
| 71 | S | 98 | Very high | 96.1 | Very high | 52 Ų | 52 | 51.5 Ų | 51.5 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 162.7 | 175.1 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | H83 | S71-H83 PolarHBondContact O-N 2.71Å; S71-H83 PolarHBondContact OG-CD2 3.3Å |
| 72 | W | 97.8 | Very high | 96.5 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 25% | 0.25 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 148.5 | 175.6 | 60.4 | 91.6 | 0 | 0 | 0 | 111.3 | L56 P66 W80 T81 F82 Y164 | L56-W72 HydrophobicContact CD1-CD2 4.23Å; L56-W72 HydrophobicContact CD1-CE3 3.81Å; L56-W72 HydrophobicContact CD1-CH2 4.48Å; L56-W72 HydrophobicContact CD1-CZ3 3.95Å; L56-W72 HydrophobicContact CD2-CD2 4.44Å; L56-W72 HydrophobicContact CD2-CE3 4.3Å; L56-W72 HydrophobicContact CD2-CH2 3.57Å; L56-W72 HydrophobicContact CD2-CZ2 3.72Å; L56-W72 HydrophobicContact CD2-CZ3 3.87Å; L56-W72 HydrophobicContact CG-CE3 4.2Å; L56-W72 HydrophobicContact CG-CH2 4.01Å; L56-W72 HydrophobicContact CG-CZ3 3.81Å; P66-W72 HydrophobicContact CG-CZ3 4.2Å; W72-W80 AromaticContact CD1-CZ3 3.92Å; W72-T81 CarbonylContact C-O 3.43Å; W72-T81 WeakPolarHBondContact CA-O 3.27Å; W72-T81 WeakPolarHBondContact CB-O 3.35Å; W72-F82 HydrophobicContact CB-CD1 3.46Å; W72-F82 VanDerWaalsContact CB-CD1 3.46Å; W72-F82 HydrophobicContact CB-CE1 3.65Å; W72-F82 HydrophobicContact CB-CG 4.21Å; W72-F82 HydrophobicContact CG-CD1 4.17Å; W72-F82 AromaticContact CG-CE1 3.96Å; W72-F82 HydrophobicContact CG-CE1 3.96Å; W72-Y164 HydrophobicContact CZ2-CD2 4.28Å |
| 73 | D | 97.2 | Very high | 96.9 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 158.9 | 175.9 | -60.7 | -67.2 | 0 | 0 | 0 | 109.5 | W80 T81 H83 | D73-W80 WeakPolarHBondContact O-CA 3.46Å; D73-T81 PolarHBondContact N-O 3.16Å; D73-T81 PolarHBondContact O-N 2.59Å; D73-H83 IonicContact OD2-CD2 3.41Å; D73-H83 IonicContact OD2-NE2 3.76Å; D73-H83 PolarHBondContact OD2-NE2 3.31Å |
| 74 | N | 96.8 | Very high | 97.2 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.1 | 169.1 | 78.8 | 91.8 | 0 | 0 | 0 | 112 | A77 V79 W80 | N74-A77 WeakPolarHBondContact OD1-CA 3.32Å; N74-A77 PolarHBondContact OD1-N 3.18Å; N74-V79 CarbonylContact C-O 3.39Å; N74-V79 WeakPolarHBondContact CA-O 3.14Å; N74-W80 HydrophobicContact CB-CD2 3.57Å; N74-W80 HydrophobicContact CB-CE3 3.59Å; N74-W80 HydrophobicContact CB-CG 4.16Å; N74-W80 HydrophobicContact CB-CH2 4.02Å; N74-W80 HydrophobicContact CB-CZ2 4.02Å; N74-W80 HydrophobicContact CB-CZ3 3.81Å |
| 75 | K | 96.4 | Very high | 97.3 | Very high | 141 Ų | 141 | 44.8 Ų | 44.8 | 61% | 0.613 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118 | 169.4 | -176.3 | -179.6 | 176.9 | -176.1 | 0 | 108.8 | A77 K78 V79 | K75-A77 PolarHBondContact O-N 3.15Å; K75-A77 VanDerWaalsContact O-N 3.1Å; K75-K78 PolarHBondContact O-N 3.49Å; K75-V79 HydrophobicContact CB-CB 4.37Å; K75-V79 PolarHBondContact N-O 3.46Å; K75-V79 PolarHBondContact O-N 3.46Å; K75-V79 VanDerWaalsContact O-N 3.08Å |
| 76 | D | 92.9 | Very high | 97.4 | Very high | 122 Ų | 122 | 52.7 Ų | 52.7 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 24 | 178 | -51.5 | -46.3 | 0 | 0 | 0 | 114.3 | K78 | D76-K78 PolarHBondContact O-N 3.24Š|
| 77 | A | 93.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 18.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N74 K75 W80 P159 V160 P161 | N74-A77 WeakPolarHBondContact OD1-CA 3.32Å; N74-A77 PolarHBondContact OD1-N 3.18Å; K75-A77 PolarHBondContact O-N 3.15Å; K75-A77 VanDerWaalsContact O-N 3.1Å; A77-W80 HydrophobicContact CB-CZ2 4.29Å; A77-W80 PolarHBondContact O-NE1 3.45Å; A77-W80 VanDerWaalsContact O-NE1 3.15Å; A77-P159 HydrophobicContact CB-CB 4.32Å; A77-V160 PolarHBondContact O-N 2.9Å; A77-P161 HydrophobicContact CB-CG 4.4Å |
| 78 | K | 96.3 | Very high | 97.4 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -36.3 | -179.1 | -72.5 | -163.1 | 71.8 | 168.9 | 0 | 113.5 | K75 D76 L156 S157 P159 | K75-K78 PolarHBondContact O-N 3.49Å; D76-K78 PolarHBondContact O-N 3.24Å; K78-L156 VanDerWaalsContact CE-O 3.25Å; K78-L156 WeakPolarHBondContact CE-O 3.43Å; K78-L156 WeakPolarHBondContact O-CB 3.42Å; K78-L156 WeakPolarHBondContact O-CG 3.17Å; K78-L156 PolarHBondContact O-N 2.88Å; K78-S157 VanDerWaalsContact CE-O 3.25Å; K78-S157 WeakPolarHBondContact CE-O 3.48Å; K78-S157 PolarHBondContact NZ-O 2.9Å; K78-P159 HydrophobicContact CD-CG 4.02Å; K78-P159 HydrophobicContact CG-CB 4.08Å; K78-P159 HydrophobicContact CG-CG 3.84Å |
| 79 | V | 98.4 | Very high | 97.4 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 116.9 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | N74 K75 E153 V154 | N74-V79 CarbonylContact C-O 3.39Å; N74-V79 WeakPolarHBondContact CA-O 3.14Å; K75-V79 HydrophobicContact CB-CB 4.37Å; K75-V79 PolarHBondContact N-O 3.46Å; K75-V79 PolarHBondContact O-N 3.46Å; K75-V79 VanDerWaalsContact O-N 3.08Å; V79-E153 HydrophobicContact CG1-CG 3.7Å; V79-V154 WeakPolarHBondContact CA-O 3.33Å |
| 80 | W | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 2% | 0.023 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.8 | -179.3 | -66.8 | 81.1 | 0 | 0 | 0 | 109.3 | W72 D73 N74 A77 F82 E153 V154 V160 F163 Y164 | W72-W80 AromaticContact CD1-CZ3 3.92Å; D73-W80 WeakPolarHBondContact O-CA 3.46Å; N74-W80 HydrophobicContact CB-CD2 3.57Å; N74-W80 HydrophobicContact CB-CE3 3.59Å; N74-W80 HydrophobicContact CB-CG 4.16Å; N74-W80 HydrophobicContact CB-CH2 4.02Å; N74-W80 HydrophobicContact CB-CZ2 4.02Å; N74-W80 HydrophobicContact CB-CZ3 3.81Å; A77-W80 HydrophobicContact CB-CZ2 4.29Å; A77-W80 PolarHBondContact O-NE1 3.45Å; A77-W80 VanDerWaalsContact O-NE1 3.15Å; W80-F82 HydrophobicContact CB-CE2 3.6Å; W80-F82 HydrophobicContact CB-CZ 3.95Å; W80-F82 HydrophobicContact CE3-CZ 4.34Å; W80-E153 CarbonylContact O-C 3.53Å; W80-E153 WeakPolarHBondContact O-CA 3.44Å; W80-V154 HydrophobicContact CB-CB 4.46Å; W80-V154 PolarHBondContact N-O 2.89Å; W80-V154 PolarHBondContact O-N 2.91Å; W80-V160 WeakPolarHBondContact CZ2-O 3.4Å; W80-F163 HydrophobicContact CB-CD1 4.18Å; W80-F163 HydrophobicContact CB-CE1 4.23Å; W80-F163 AromaticContact CD1-CD1 3.62Å; W80-F163 HydrophobicContact CD2-CB 4.37Å; W80-F163 AromaticContact CD2-CD1 3.74Å; W80-F163 HydrophobicContact CD2-CD1 3.74Å; W80-F163 HydrophobicContact CD2-CG 4.48Å; W80-F163 AromaticContact CE2-CD1 3.93Å; W80-F163 HydrophobicContact CE3-CD1 4.4Å; W80-F163 AromaticContact CG-CD1 3.59Å; W80-F163 HydrophobicContact CG-CD1 3.59Å; W80-F163 HydrophobicContact CG-CE1 4.11Å; W80-F163 HydrophobicContact CG-CG 4.46Å; W80-F163 HydrophobicContact CZ2-CB 3.87Å; W80-F163 AromaticContact NE1-CD1 3.82Å; W80-F163 AromaticContact NE1-CG 3.96Å; W80-Y164 AromaticContact CH2-CD1 3.77Å; W80-Y164 HydrophobicContact CH2-CD1 3.77Å; W80-Y164 HydrophobicContact CH2-CG 4.43Å; W80-Y164 HydrophobicContact CZ3-CD1 4.07Å; W80-Y164 HydrophobicContact CZ3-CG 4.3Å |
| 81 | T | 98.7 | Very high | 97.5 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122 | 179.1 | -54.4 | 0 | 0 | 0 | 0 | 108.7 | W72 D73 T151 L152 | W72-T81 CarbonylContact C-O 3.43Å; W72-T81 WeakPolarHBondContact CA-O 3.27Å; W72-T81 WeakPolarHBondContact CB-O 3.35Å; D73-T81 PolarHBondContact N-O 3.16Å; D73-T81 PolarHBondContact O-N 2.59Å; T81-T151 HydrophobicContact CG2-CG2 3.76Å; T81-L152 CarbonylContact C-O 3.59Å; T81-L152 WeakPolarHBondContact CA-O 3.3Å |
| 82 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.4 | 179.9 | -60.8 | -90.1 | 0 | 0 | 0 | 109.8 | L55 L56 A69 W72 W80 L84 L152 V154 F163 L167 | L55-F82 HydrophobicContact CB-CD1 4.34Å; L55-F82 HydrophobicContact CD1-CD1 4.11Å; L55-F82 HydrophobicContact CD1-CD2 3.97Å; L55-F82 HydrophobicContact CD1-CE1 4.34Å; L55-F82 HydrophobicContact CD1-CE2 4.19Å; L55-F82 HydrophobicContact CD1-CG 3.95Å; L55-F82 HydrophobicContact CD1-CZ 4.41Å; L55-F82 HydrophobicContact CD2-CB 4.24Å; L55-F82 HydrophobicContact CD2-CG 4.42Å; L56-F82 HydrophobicContact CD1-CD1 4.17Å; L56-F82 HydrophobicContact CD1-CE1 3.92Å; A69-F82 HydrophobicContact CB-CB 4.05Å; A69-F82 HydrophobicContact CB-CD1 4.07Å; W72-F82 HydrophobicContact CB-CD1 3.46Å; W72-F82 VanDerWaalsContact CB-CD1 3.46Å; W72-F82 HydrophobicContact CB-CE1 3.65Å; W72-F82 HydrophobicContact CB-CG 4.21Å; W72-F82 HydrophobicContact CG-CD1 4.17Å; W72-F82 AromaticContact CG-CE1 3.96Å; W72-F82 HydrophobicContact CG-CE1 3.96Å; W80-F82 HydrophobicContact CB-CE2 3.6Å; W80-F82 HydrophobicContact CB-CZ 3.95Å; W80-F82 HydrophobicContact CE3-CZ 4.34Å; F82-L84 HydrophobicContact CB-CD2 4.35Å; F82-L152 HydrophobicContact CB-CB 4.38Å; F82-L152 PolarHBondContact N-O 3.23Å; F82-L152 PolarHBondContact O-N 3.01Å; F82-V154 HydrophobicContact CD2-CG2 4.3Å; F82-V154 HydrophobicContact CE2-CG2 4.03Å; F82-F163 HydrophobicContact CE2-CE1 4.08Å; F82-F163 HydrophobicContact CZ-CD1 4.36Å; F82-F163 HydrophobicContact CZ-CE1 4.01Å; F82-L167 HydrophobicContact CD1-CD1 4.45Å; F82-L167 HydrophobicContact CE1-CD1 3.41Å; F82-L167 VanDerWaalsContact CE1-CD1 3.41Å; F82-L167 HydrophobicContact CE2-CD1 4.03Å; F82-L167 HydrophobicContact CZ-CD1 3.16Å |
| 83 | H | 98.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 112 | 177 | -52.4 | -76 | 0 | 0 | 0 | 108.4 | A69 E70 S71 D73 | A69-H83 CarbonylContact C-O 3.6Å; A69-H83 WeakPolarHBondContact CA-O 3.39Å; E70-H83 WeakPolarHBondContact CG-O 3.47Å; E70-H83 PolarHBondContact N-O 2.84Å; S71-H83 PolarHBondContact O-N 2.71Å; S71-H83 PolarHBondContact OG-CD2 3.3Å; D73-H83 IonicContact OD2-CD2 3.41Å; D73-H83 IonicContact OD2-NE2 3.76Å; D73-H83 PolarHBondContact OD2-NE2 3.31Å |
| 84 | L | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 137.6 | -175.1 | -48 | -174.3 | 0 | 0 | 0 | 110.6 | L55 V68 A69 F82 K86 A98 F101 H150 | L55-L84 HydrophobicContact CD2-CD2 3.53Å; V68-L84 HydrophobicContact CG1-CB 4.31Å; V68-L84 HydrophobicContact CG1-CD2 4.25Å; V68-L84 WeakPolarHBondContact O-CA 3.39Å; A69-L84 HydrophobicContact CB-CD2 4.14Å; F82-L84 HydrophobicContact CB-CD2 4.35Å; L84-K86 PolarHBondContact O-N 3.18Å; L84-A98 HydrophobicContact CD1-CB 3.93Å; L84-F101 HydrophobicContact CD1-CD2 4.15Å; L84-F101 HydrophobicContact CD1-CE2 4.19Å; L84-F101 HydrophobicContact CD2-CE2 4.49Å; L84-H150 HydrophobicContact CB-CB 4.44Å; L84-H150 PolarHBondContact N-O 2.79Å |
| 85 | R | 98 | Very high | 97.5 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | trans | -63 | 136.7 | 176.3 | 70.9 | -178.9 | 56.8 | -98 | 0.3 | 110.7 | G67 V68 E70 D87 A88 W219 | G67-R85 PolarHBondContact O-NE 3.09Å; G67-R85 PolarHBondContact O-NH2 3.45Å; V68-R85 WeakPolarHBondContact O-CG 3.43Å; V68-R85 PolarHBondContact O-N 2.86Å; E70-R85 HydrophobicContact CB-CB 4.42Å; R85-D87 VanDerWaalsContact CB-OD1 3.26Å; R85-D87 WeakPolarHBondContact CB-OD1 3.4Å; R85-D87 VanDerWaalsContact CD-OD1 3.29Å; R85-D87 WeakPolarHBondContact CD-OD1 3.41Å; R85-D87 WeakPolarHBondContact CG-OD1 3.45Å; R85-D87 IonicContact NH1-OD1 3.94Å; R85-D87 PolarHBondContact O-N 3.38Å; R85-A88 HydrophobicContact CG-CB 3.51Å; R85-A88 PolarHBondContact O-N 2.7Å; R85-W219 VanDerWaalsContact CD-CD1 3.48Å; R85-W219 VanDerWaalsContact CD-CD2 3.43Å; R85-W219 VanDerWaalsContact CZ-CE3 3.46Å; R85-W219 VanDerWaalsContact CZ-CH2 3.5Å; R85-W219 VanDerWaalsContact CZ-CZ2 3.41Å; R85-W219 VanDerWaalsContact NE-CD2 3.34Å; R85-W219 VanDerWaalsContact NE-CE2 3.26Å; R85-W219 VanDerWaalsContact NH2-CH2 3.27Å | ||
| 86 | K | 97.5 | Very high | 97.6 | Very high | 168 Ų | 168 | 49.1 Ų | 49.1 | 73% | 0.73 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.4 | -177 | -62.2 | -177.8 | -178.9 | 177.8 | 0 | 113.9 | L84 | L84-K86 PolarHBondContact O-N 3.18Š|
| 87 | D | 97.5 | Very high | 97.8 | Very high | 78 Ų | 78 | 44.2 Ų | 44.2 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 0 | -178.7 | 65.3 | -25.5 | 0 | 0 | 0 | 113.5 | R85 K89 | R85-D87 VanDerWaalsContact CB-OD1 3.26Å; R85-D87 WeakPolarHBondContact CB-OD1 3.4Å; R85-D87 VanDerWaalsContact CD-OD1 3.29Å; R85-D87 WeakPolarHBondContact CD-OD1 3.41Å; R85-D87 WeakPolarHBondContact CG-OD1 3.45Å; R85-D87 IonicContact NH1-OD1 3.94Å; R85-D87 PolarHBondContact O-N 3.38Å; D87-K89 PolarHBondContact O-N 2.87Å |
| 88 | A | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | trans | -66.9 | 128.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V68 R85 V96 | V68-A88 HydrophobicContact CG1-CB 4.02Å; R85-A88 HydrophobicContact CG-CB 3.51Å; R85-A88 PolarHBondContact O-N 2.7Å; A88-V96 HydrophobicContact CB-CB 3.91Å; A88-V96 HydrophobicContact CB-CG2 4.24Å; A88-V96 PolarHBondContact O-N 2.87Å | ||
| 89 | K | 98.5 | Very high | 98.2 | Very high | 97 Ų | 97 | 43.7 Ų | 43.7 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -136.9 | 150.2 | -177.9 | -66.4 | 179.1 | -176.6 | -179.1 | 0 | 111.5 | D87 T94 | D87-K89 PolarHBondContact O-N 2.87Å; K89-T94 CarbonylContact C-O 3.49Å; K89-T94 VanDerWaalsContact CA-O 3.26Å; K89-T94 WeakPolarHBondContact CA-O 3.43Å |
| 90 | W | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | trans | -72.9 | 165.2 | 163.8 | -68.1 | 102.8 | 0 | 0 | 0 | 110.8 | F52 D92 G93 T94 V96 D100 P174 P176 V194 T195 N196 T217 | F52-W90 HydrophobicContact CD1-CZ3 4.44Å; W90-D92 VanDerWaalsContact CB-OD1 3.27Å; W90-D92 WeakPolarHBondContact CB-OD1 3.27Å; W90-D92 PolarHBondContact O-N 3.23Å; W90-G93 PolarHBondContact O-N 2.82Å; W90-T94 VanDerWaalsContact CD1-OG1 3.28Å; W90-T94 PolarHBondContact N-O 3.07Å; W90-V96 HydrophobicContact CD2-CG2 4.15Å; W90-V96 HydrophobicContact CG-CG2 4.07Å; W90-D100 HydrophobicContact CZ2-CB 4.13Å; W90-D100 PolarHBondContact NE1-OD2 3.23Å; W90-P174 HydrophobicContact CH2-CB 3.91Å; W90-P174 HydrophobicContact CH2-CG 4.04Å; W90-P174 HydrophobicContact CZ2-CB 4Å; W90-P174 HydrophobicContact CZ2-CG 4.31Å; W90-P176 HydrophobicContact CE3-CB 4.27Å; W90-P176 HydrophobicContact CH2-CB 4.34Å; W90-P176 HydrophobicContact CZ3-CB 4.16Å; W90-P176 HydrophobicContact CZ3-CG 4.35Å; W90-V194 HydrophobicContact CB-CG1 3.69Å; W90-V194 HydrophobicContact CD2-CG1 4.31Å; W90-V194 HydrophobicContact CE3-CG1 4.01Å; W90-V194 HydrophobicContact CG-CG1 4.23Å; W90-T195 CarbonylContact C-O 3.59Å; W90-T195 WeakPolarHBondContact CA-O 3.1Å; W90-N196 HydrophobicContact CD2-CB 4.17Å; W90-N196 HydrophobicContact CE3-CB 3.75Å; W90-N196 HydrophobicContact CH2-CB 4.47Å; W90-N196 HydrophobicContact CZ3-CB 3.92Å; W90-T217 WeakPolarHBondContact O-CB 3.24Å; W90-T217 PolarHBondContact O-OG1 2.79Å | ||
| 91 | S | 98.1 | Very high | 98.2 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.4 | -177.1 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | G93 V194 T195 T217 | S91-G93 VanDerWaalsContact C-N 3.34Å; S91-V194 WeakPolarHBondContact OG-CA 3.23Å; S91-T195 WeakPolarHBondContact CB-O 3.45Å; S91-T195 PolarHBondContact N-O 3.43Å; S91-T195 PolarHBondContact OG-N 3.39Å; S91-T217 WeakPolarHBondContact CA-OG1 3.47Å |
| 92 | D | 96.8 | Very high | 98.2 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.3 | 172.3 | 65.3 | -1.9 | 0 | 0 | 0 | 113.2 | W90 T94 V194 | W90-D92 VanDerWaalsContact CB-OD1 3.27Å; W90-D92 WeakPolarHBondContact CB-OD1 3.27Å; W90-D92 PolarHBondContact O-N 3.23Å; D92-T94 PolarHBondContact OD1-N 3.02Å; D92-T94 VanDerWaalsContact OD1-N 3.14Å; D92-T94 PolarHBondContact OD1-OG1 2.92Å; D92-T94 VanDerWaalsContact OD1-OG1 3.07Å; D92-V194 HydrophobicContact CB-CG1 4.27Å; D92-V194 HydrophobicContact CB-CG2 4.5Å |
| 93 | G | 97 | Very high | 98.2 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 94.1 | -3.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | W90 S91 | W90-G93 PolarHBondContact O-N 2.82Å; S91-G93 VanDerWaalsContact C-N 3.34Å |
| 94 | T | 97.6 | Very high | 98.2 | Very high | 67 Ų | 67 | 41.6 Ų | 41.6 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 150.9 | 173.8 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | K89 W90 D92 | K89-T94 CarbonylContact C-O 3.49Å; K89-T94 VanDerWaalsContact CA-O 3.26Å; K89-T94 WeakPolarHBondContact CA-O 3.43Å; W90-T94 VanDerWaalsContact CD1-OG1 3.28Å; W90-T94 PolarHBondContact N-O 3.07Å; D92-T94 PolarHBondContact OD1-N 3.02Å; D92-T94 VanDerWaalsContact OD1-N 3.14Å; D92-T94 PolarHBondContact OD1-OG1 2.92Å; D92-T94 VanDerWaalsContact OD1-OG1 3.07Å |
| 95 | P | 98.3 | Very high | 98.2 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | B | Isolated β-bridge | trans | -67.2 | 145.7 | 176.9 | 28.2 | -34.6 | 0 | 0 | 0 | 111.3 | T97 | P95-T97 HydrophobicContact CB-CG2 4.2Å; P95-T97 HydrophobicContact CG-CG2 4.21Å |
| 96 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -84.4 | 124.5 | 164.5 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | V68 A88 W90 D100 F101 N196 | V68-V96 HydrophobicContact CG1-CG1 4Å; A88-V96 HydrophobicContact CB-CB 3.91Å; A88-V96 HydrophobicContact CB-CG2 4.24Å; A88-V96 PolarHBondContact O-N 2.87Å; W90-V96 HydrophobicContact CD2-CG2 4.15Å; W90-V96 HydrophobicContact CG-CG2 4.07Å; V96-D100 WeakPolarHBondContact CA-OD2 3.25Å; V96-F101 HydrophobicContact CG1-CE2 4.04Å; V96-N196 HydrophobicContact CG2-CB 3.77Å |
| 97 | T | 98.7 | Very high | 98.2 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | trans | -123.2 | 169 | -175.3 | 75.2 | 0 | 0 | 0 | 0 | 112.9 | P95 Q99 D100 D149 | P95-T97 HydrophobicContact CB-CG2 4.2Å; P95-T97 HydrophobicContact CG-CG2 4.21Å; T97-Q99 PolarHBondContact O-N 2.98Å; T97-Q99 PolarHBondContact OG1-N 2.89Å; T97-Q99 PolarHBondContact OG1-OE1 2.6Å; T97-D100 PolarHBondContact N-OD2 2.94Å; T97-D100 WeakPolarHBondContact O-CB 3.32Å; T97-D100 PolarHBondContact O-N 3.22Å; T97-D100 VanDerWaalsContact O-N 3.09Å; T97-D149 CarbonylContact C-O 3.2Å; T97-D149 VanDerWaalsContact CA-O 3.23Å; T97-D149 WeakPolarHBondContact CA-O 3.47Å; T97-D149 WeakPolarHBondContact CB-O 3.01Å; T97-D149 HydrophobicContact CG2-CB 4.21Å | ||
| 98 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -29.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L84 D100 F101 V102 A146 D148 D149 L152 | L84-A98 HydrophobicContact CD1-CB 3.93Å; A98-D100 VanDerWaalsContact C-N 3.29Å; A98-D100 PolarHBondContact O-N 3.03Å; A98-F101 PolarHBondContact O-N 2.88Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å; A98-V102 PolarHBondContact O-N 2.81Å; A98-A146 HydrophobicContact CB-CB 3.55Å; A98-D148 WeakPolarHBondContact CB-O 3.22Å; A98-D149 PolarHBondContact N-O 3.18Å; A98-L152 HydrophobicContact CB-CB 4.11Å; A98-L152 HydrophobicContact CB-CD1 4.19Å |
| 99 | Q | 98.5 | Very high | 98.1 | Very high | 76 Ų | 76 | 31.8 Ų | 31.8 | 36% | 0.355 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.5 | -29.4 | 175.8 | -61.2 | 82.7 | -1.2 | 0 | 0 | 112.5 | T97 F101 V102 Y103 A146 D149 | T97-Q99 PolarHBondContact O-N 2.98Å; T97-Q99 PolarHBondContact OG1-N 2.89Å; T97-Q99 PolarHBondContact OG1-OE1 2.6Å; Q99-F101 VanDerWaalsContact C-N 3.34Å; Q99-V102 PolarHBondContact O-N 2.8Å; Q99-Y103 WeakPolarHBondContact O-CB 3.36Å; Q99-Y103 PolarHBondContact O-N 3.47Å; Q99-A146 HydrophobicContact CG-CB 3.93Å; Q99-D149 PolarHBondContact NE2-OD1 2.82Å; Q99-D149 PolarHBondContact OE1-OD1 2.9Å |
| 100 | D | 98.7 | Very high | 97.9 | Very high | 25 Ų | 25 | 28.8 Ų | 28.8 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 173.3 | -68.9 | -41.2 | 0 | 0 | 0 | 110.8 | W90 V96 T97 A98 S104 P174 | W90-D100 HydrophobicContact CZ2-CB 4.13Å; W90-D100 PolarHBondContact NE1-OD2 3.23Å; V96-D100 WeakPolarHBondContact CA-OD2 3.25Å; T97-D100 PolarHBondContact N-OD2 2.94Å; T97-D100 WeakPolarHBondContact O-CB 3.32Å; T97-D100 PolarHBondContact O-N 3.22Å; T97-D100 VanDerWaalsContact O-N 3.09Å; A98-D100 VanDerWaalsContact C-N 3.29Å; A98-D100 PolarHBondContact O-N 3.03Å; D100-S104 VanDerWaalsContact O-CB 3.25Å; D100-S104 WeakPolarHBondContact O-CB 3.46Å; D100-S104 PolarHBondContact O-N 3.18Å; D100-S104 PolarHBondContact O-OG 3.31Å; D100-P174 HydrophobicContact CB-CB 4.24Å |
| 101 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.7 | -43.9 | 175.8 | -73.5 | -86.2 | 0 | 0 | 0 | 112.2 | L55 V68 L84 V96 A98 Q99 Y103 S104 W105 L152 P174 | L55-F101 HydrophobicContact CD2-CD1 3.87Å; L55-F101 HydrophobicContact CD2-CD2 4.16Å; L55-F101 HydrophobicContact CD2-CE1 3.61Å; L55-F101 HydrophobicContact CD2-CE2 3.93Å; L55-F101 HydrophobicContact CD2-CG 4.14Å; L55-F101 HydrophobicContact CD2-CZ 3.64Å; L55-F101 HydrophobicContact CG-CD1 3.91Å; L55-F101 HydrophobicContact CG-CE1 3.59Å; L55-F101 HydrophobicContact CG-CZ 4.07Å; V68-F101 HydrophobicContact CB-CE2 4.3Å; V68-F101 HydrophobicContact CB-CZ 4Å; V68-F101 HydrophobicContact CG1-CE2 3.91Å; V68-F101 HydrophobicContact CG1-CZ 4.14Å; V68-F101 HydrophobicContact CG2-CZ 4.19Å; L84-F101 HydrophobicContact CD1-CD2 4.15Å; L84-F101 HydrophobicContact CD1-CE2 4.19Å; L84-F101 HydrophobicContact CD2-CE2 4.49Å; V96-F101 HydrophobicContact CG1-CE2 4.04Å; A98-F101 PolarHBondContact O-N 2.88Å; Q99-F101 VanDerWaalsContact C-N 3.34Å; F101-Y103 PolarHBondContact O-N 2.9Å; F101-S104 PolarHBondContact O-N 3.42Å; F101-W105 WeakPolarHBondContact O-CB 3.42Å; F101-W105 PolarHBondContact O-N 2.82Å; F101-L152 HydrophobicContact CB-CD1 4Å; F101-L152 HydrophobicContact CB-CD2 3.75Å; F101-L152 HydrophobicContact CG-CD2 4.15Å; F101-P174 HydrophobicContact CD1-CB 4.36Å; F101-P174 HydrophobicContact CE1-CB 4.18Å; F101-P174 HydrophobicContact CE1-CG 4.04Å; F101-P174 HydrophobicContact CE2-CB 4.36Å; F101-P174 HydrophobicContact CE2-CG 4.28Å; F101-P174 HydrophobicContact CZ-CB 4.18Å; F101-P174 HydrophobicContact CZ-CG 3.8Å |
| 102 | V | 98.7 | Very high | 97.1 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.9 | -52.3 | 174.2 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | A98 Q99 S104 Q106 V144 A146 L152 | A98-V102 WeakPolarHBondContact O-CG2 3.42Å; A98-V102 PolarHBondContact O-N 2.81Å; Q99-V102 PolarHBondContact O-N 2.8Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 3Å; V102-Q106 WeakPolarHBondContact O-CB 3.45Å; V102-Q106 WeakPolarHBondContact O-CG 3.4Å; V102-Q106 PolarHBondContact O-N 3.4Å; V102-V144 HydrophobicContact CG2-CG1 4.09Å; V102-A146 HydrophobicContact CG2-CB 4.16Å; V102-L152 HydrophobicContact CG2-CD1 3.81Å |
| 103 | Y | 98.5 | Very high | 97 | Very high | 44 Ų | 44 | 33.2 Ų | 33.2 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 177.7 | 167.7 | -102.3 | 0 | 0 | 0 | 112.1 | Q99 F101 Q106 R107 V175 K177 I180 | Q99-Y103 WeakPolarHBondContact O-CB 3.36Å; Q99-Y103 PolarHBondContact O-N 3.47Å; F101-Y103 PolarHBondContact O-N 2.9Å; Y103-Q106 PolarHBondContact O-N 2.92Å; Y103-R107 VanDerWaalsContact O-CB 3.29Å; Y103-R107 WeakPolarHBondContact O-CB 3.49Å; Y103-R107 PolarHBondContact O-N 3.2Å; Y103-V175 HydrophobicContact CD1-CG2 4.3Å; Y103-V175 HydrophobicContact CE1-CG2 3.94Å; Y103-K177 HydrophobicContact CD1-CB 3.67Å; Y103-K177 HydrophobicContact CD1-CG 4.21Å; Y103-K177 HydrophobicContact CD2-CB 4.29Å; Y103-K177 HydrophobicContact CD2-CD 3.73Å; Y103-K177 HydrophobicContact CD2-CG 3.93Å; Y103-K177 VanDerWaalsContact CE1-CA 3.47Å; Y103-K177 HydrophobicContact CE1-CB 3.59Å; Y103-K177 HydrophobicContact CE1-CG 4Å; Y103-K177 HydrophobicContact CE2-CB 4.23Å; Y103-K177 HydrophobicContact CE2-CD 3.95Å; Y103-K177 HydrophobicContact CE2-CG 3.71Å; Y103-K177 HydrophobicContact CG-CB 4.02Å; Y103-K177 HydrophobicContact CG-CD 4.04Å; Y103-K177 HydrophobicContact CG-CG 4.17Å; Y103-I180 HydrophobicContact CE1-CD1 4.16Å; Y103-I180 WeakPolarHBondContact OH-CG2 3.22Å |
| 104 | S | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | -175.3 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | H37 D100 F101 V102 R107 S108 P174 V175 | H37-S104 PolarHBondContact CE1-O 3.42Å; D100-S104 VanDerWaalsContact O-CB 3.25Å; D100-S104 WeakPolarHBondContact O-CB 3.46Å; D100-S104 PolarHBondContact O-N 3.18Å; D100-S104 PolarHBondContact O-OG 3.31Å; F101-S104 PolarHBondContact O-N 3.42Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 3Å; S104-R107 WeakPolarHBondContact O-CB 3.35Å; S104-R107 PolarHBondContact O-N 3.45Å; S104-S108 PolarHBondContact O-N 2.77Å; S104-P174 WeakPolarHBondContact OG-CA 3.33Å; S104-V175 WeakPolarHBondContact OG-CG2 3.39Å; S104-V175 PolarHBondContact OG-N 3Å |
| 105 | W | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72 | -32.2 | -179 | -69.3 | 19.4 | 0 | 0 | 0 | 112 | L55 F101 S108 V109 L121 I126 L142 V144 V154 F163 L167 T172 | L55-W105 HydrophobicContact CD1-CH2 3.86Å; L55-W105 HydrophobicContact CD1-CZ2 3.67Å; F101-W105 WeakPolarHBondContact O-CB 3.42Å; F101-W105 PolarHBondContact O-N 2.82Å; W105-S108 PolarHBondContact O-OG 2.99Å; W105-V109 WeakPolarHBondContact O-CG2 3.41Å; W105-L121 HydrophobicContact CB-CD1 3.71Å; W105-L121 HydrophobicContact CD2-CD1 4.32Å; W105-L121 HydrophobicContact CD2-CD2 4.35Å; W105-L121 HydrophobicContact CE3-CD1 4.27Å; W105-L121 HydrophobicContact CE3-CD2 4.29Å; W105-L121 HydrophobicContact CG-CD1 4.09Å; W105-I126 HydrophobicContact CE3-CD1 3.67Å; W105-I126 HydrophobicContact CZ3-CD1 3.63Å; W105-L142 HydrophobicContact CB-CD2 4.05Å; W105-L142 WeakPolarHBondContact O-CD2 3.47Å; W105-V144 HydrophobicContact CE3-CB 4.48Å; W105-V144 HydrophobicContact CE3-CG1 4.08Å; W105-V144 HydrophobicContact CE3-CG2 3.53Å; W105-V144 HydrophobicContact CZ3-CG2 4.07Å; W105-V154 HydrophobicContact CH2-CG2 3.97Å; W105-V154 HydrophobicContact CZ3-CB 4.49Å; W105-V154 HydrophobicContact CZ3-CG1 4.03Å; W105-V154 HydrophobicContact CZ3-CG2 3.61Å; W105-F163 HydrophobicContact CH2-CZ 4.18Å; W105-F163 HydrophobicContact CZ3-CZ 4.2Å; W105-L167 HydrophobicContact CH2-CD2 3.67Å; W105-L167 HydrophobicContact CZ2-CD2 3.9Å; W105-T172 PolarHBondContact NE1-O 3.26Å |
| 106 | Q | 98.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 15% | 0.154 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 168.8 | -70.8 | 175.6 | -8.8 | 0 | 0 | 111.6 | V102 Y103 V109 D110 I139 L142 | V102-Q106 WeakPolarHBondContact O-CB 3.45Å; V102-Q106 WeakPolarHBondContact O-CG 3.4Å; V102-Q106 PolarHBondContact O-N 3.4Å; Y103-Q106 PolarHBondContact O-N 2.92Å; Q106-V109 WeakPolarHBondContact O-CG2 3.31Å; Q106-D110 PolarHBondContact O-N 3.49Å; Q106-I139 HydrophobicContact CB-CB 4.35Å; Q106-I139 HydrophobicContact CB-CD1 4.26Å; Q106-I139 HydrophobicContact CB-CG1 4.37Å; Q106-I139 WeakPolarHBondContact CG-O 3.33Å; Q106-L142 HydrophobicContact CG-CB 4.41Å; Q106-L142 HydrophobicContact CG-CD2 4.39Å |
| 107 | R | 97.5 | Very high | 96.5 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 177 | -178.7 | -178.2 | 176.9 | -100.7 | -2.4 | 112 | D35 H37 Y103 S104 V109 D110 T113 | D35-R107 IonicContact OD1-CZ 3.53Å; D35-R107 IonicContact OD1-NH1 3.83Å; D35-R107 PolarHBondContact OD1-NH1 2.87Å; D35-R107 IonicContact OD1-NH2 2.7Å; D35-R107 IonicContact OD2-CZ 3.4Å; D35-R107 IonicContact OD2-NH1 3.56Å; D35-R107 PolarHBondContact OD2-NH1 3.45Å; D35-R107 IonicContact OD2-NH2 2.62Å; D35-R107 PolarHBondContact OD2-NH2 2.7Å; H37-R107 PolarHBondContact ND1-NH1 2.97Å; Y103-R107 VanDerWaalsContact O-CB 3.29Å; Y103-R107 WeakPolarHBondContact O-CB 3.49Å; Y103-R107 PolarHBondContact O-N 3.2Å; S104-R107 WeakPolarHBondContact O-CB 3.35Å; S104-R107 PolarHBondContact O-N 3.45Å; R107-V109 PolarHBondContact O-N 3.27Å; R107-D110 WeakPolarHBondContact O-CB 3.45Å; R107-D110 PolarHBondContact O-N 3.03Å; R107-T113 HydrophobicContact CG-CG2 4.3Å; R107-T113 WeakPolarHBondContact CG-OG1 3.25Å; R107-T113 WeakPolarHBondContact O-CB 3.34Å; R107-T113 PolarHBondContact O-OG1 3.15Å |
| 108 | S | 96.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -25.1 | -176.3 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | S104 W105 S115 | S104-S108 PolarHBondContact O-N 2.77Å; W105-S108 PolarHBondContact O-OG 2.99Å; S108-S115 VanDerWaalsContact O-CB 3.27Å; S108-S115 WeakPolarHBondContact O-CB 3.36Å |
| 109 | V | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -102.6 | -5.7 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | W105 Q106 R107 P111 L121 I129 I132 L133 L142 | W105-V109 WeakPolarHBondContact O-CG2 3.41Å; Q106-V109 WeakPolarHBondContact O-CG2 3.31Å; R107-V109 PolarHBondContact O-N 3.27Å; V109-P111 VanDerWaalsContact O-CD 3.28Å; V109-P111 WeakPolarHBondContact O-CD 3.28Å; V109-L121 HydrophobicContact CG1-CB 4.06Å; V109-L121 HydrophobicContact CG1-CD1 3.69Å; V109-L121 HydrophobicContact CG1-CG 4.08Å; V109-I129 HydrophobicContact CB-CD1 3.74Å; V109-I129 HydrophobicContact CG1-CD1 3.31Å; V109-I129 HydrophobicContact CG2-CD1 4.32Å; V109-I132 HydrophobicContact CB-CG2 4.34Å; V109-I132 HydrophobicContact CG2-CG2 3.83Å; V109-L133 HydrophobicContact CB-CD2 4.17Å; V109-L142 HydrophobicContact CG2-CD1 4.45Å; V109-L142 HydrophobicContact CG2-CD2 4.16Å |
| 110 | D | 94.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 26.2 Ų | 26.2 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | trans | -63.9 | 119.9 | 173.3 | -171.5 | -23.7 | 0 | 0 | 0 | 109.2 | Q106 R107 N112 T113 I139 | Q106-D110 PolarHBondContact O-N 3.49Å; R107-D110 WeakPolarHBondContact O-CB 3.45Å; R107-D110 PolarHBondContact O-N 3.03Å; D110-N112 PolarHBondContact O-N 2.9Å; D110-N112 VanDerWaalsContact OD1-CB 3.28Å; D110-N112 WeakPolarHBondContact OD1-CB 3.42Å; D110-N112 PolarHBondContact OD1-N 3.3Å; D110-N112 PolarHBondContact OD1-ND2 3.37Å; D110-T113 WeakPolarHBondContact O-CA 3.35Å; D110-T113 WeakPolarHBondContact O-CB 3.01Å; D110-T113 PolarHBondContact O-N 3.44Å; D110-I139 HydrophobicContact CB-CD1 4.32Å; D110-I139 HydrophobicContact CB-CG2 3.92Å | ||
| 111 | P | 89.4 | Confident | 96.2 | Very high | 76 Ų | 76 | 25.2 Ų | 25.2 | 49% | 0.494 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -54.6 | -27.7 | 176.6 | -26.9 | 36.2 | 0 | 0 | 0 | 113.4 | V109 T113 A114 | V109-P111 VanDerWaalsContact O-CD 3.28Å; V109-P111 WeakPolarHBondContact O-CD 3.28Å; P111-T113 VanDerWaalsContact C-N 3.28Å; P111-T113 PolarHBondContact O-N 3.26Å; P111-A114 PolarHBondContact O-N 2.8Å; P111-A114 VanDerWaalsContact O-N 3.09Å |
| 112 | N | 90.5 | Very high | 96 | Very high | 144 Ų | 144 | 26.1 Ų | 26.1 | 77% | 0.77 | 15% | 0.152 | S | C | * | . | G | 310 helix | trans | -69.5 | -25.6 | 175.6 | -58.6 | -61 | 0 | 0 | 0 | 112.8 | D110 A114 | D110-N112 PolarHBondContact O-N 2.9Å; D110-N112 VanDerWaalsContact OD1-CB 3.28Å; D110-N112 WeakPolarHBondContact OD1-CB 3.42Å; D110-N112 PolarHBondContact OD1-N 3.3Å; D110-N112 PolarHBondContact OD1-ND2 3.37Å; N112-A114 VanDerWaalsContact C-N 3.29Å |
| 113 | T | 94 | Very high | 96 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 7% | 0.067 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -73.6 | -23.5 | 171.4 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | H37 K38 R107 D110 P111 S115 | H37-T113 HydrophobicContact CB-CG2 3.79Å; K38-T113 WeakPolarHBondContact CE-O 3.22Å; K38-T113 PolarHBondContact NZ-O 3.44Å; R107-T113 HydrophobicContact CG-CG2 4.3Å; R107-T113 WeakPolarHBondContact CG-OG1 3.25Å; R107-T113 WeakPolarHBondContact O-CB 3.34Å; R107-T113 PolarHBondContact O-OG1 3.15Å; D110-T113 WeakPolarHBondContact O-CA 3.35Å; D110-T113 WeakPolarHBondContact O-CB 3.01Å; D110-T113 PolarHBondContact O-N 3.44Å; P111-T113 VanDerWaalsContact C-N 3.28Å; P111-T113 PolarHBondContact O-N 3.26Å; T113-S115 PolarHBondContact O-N 3.33Å; T113-S115 VanDerWaalsContact O-N 3.16Å |
| 114 | A | 92.1 | Very high | 95.9 | Very high | 73 Ų | 73 | 23.2 Ų | 23.2 | 60% | 0.603 | 14% | 0.139 | S | C | * | . | trans | 46 | 46.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P111 N112 | P111-A114 PolarHBondContact O-N 2.8Å; P111-A114 VanDerWaalsContact O-N 3.09Å; N112-A114 VanDerWaalsContact C-N 3.29Å | ||
| 115 | S | 96.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | trans | -69.3 | 128.9 | -179.8 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | H37 S108 T113 Y117 A118 | H37-S115 VanDerWaalsContact O-CA 3.25Å; H37-S115 WeakPolarHBondContact O-CA 3.2Å; H37-S115 VanDerWaalsContact O-CB 3.22Å; H37-S115 WeakPolarHBondContact O-CB 3.33Å; H37-S115 PolarHBondContact O-OG 3.01Å; S108-S115 VanDerWaalsContact O-CB 3.27Å; S108-S115 WeakPolarHBondContact O-CB 3.36Å; T113-S115 PolarHBondContact O-N 3.33Å; T113-S115 VanDerWaalsContact O-N 3.16Å; S115-Y117 PolarHBondContact O-N 2.83Å; S115-Y117 PolarHBondContact OG-N 3.25Å; S115-A118 WeakPolarHBondContact O-CB 3.17Å; S115-A118 PolarHBondContact O-N 2.72Å; S115-A118 VanDerWaalsContact O-N 3.08Å; S115-A118 PolarHBondContact OG-N 3.22Å | ||
| 116 | P | 95.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 13% | 0.13 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.5 | 172.3 | 27.3 | -34.6 | 0 | 0 | 0 | 111.3 | I39 E40 S443 M444 | I39-P116 WeakPolarHBondContact O-CG 3.42Å; E40-P116 HydrophobicContact CB-CB 3.98Å; E40-P116 HydrophobicContact CB-CG 3.89Å; P116-S443 CarbonylContact O-C 3.55Å; P116-S443 WeakPolarHBondContact O-CB 3.48Å; P116-S443 PolarHBondContact O-OG 3.06Å; P116-M444 HydrophobicContact CB-SD 4.27Å |
| 117 | Y | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 2% | 0.024 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 23.8 | 175.6 | -92.2 | -71.7 | 0 | 0 | 0 | 113.8 | I39 E40 S115 S119 Y120 H169 W424 D427 M444 | I39-Y117 WeakPolarHBondContact O-CD2 3.25Å; E40-Y117 HydrophobicContact CB-CD2 4.17Å; E40-Y117 HydrophobicContact CB-CE2 4.03Å; S115-Y117 PolarHBondContact O-N 2.83Å; S115-Y117 PolarHBondContact OG-N 3.25Å; Y117-S119 PolarHBondContact O-N 3.21Å; Y117-Y120 AromaticContact CD1-CD2 3.53Å; Y117-Y120 HydrophobicContact CD1-CD2 3.53Å; Y117-Y120 HydrophobicContact CD1-CE2 4.41Å; Y117-Y120 HydrophobicContact CD1-CG 4.02Å; Y117-Y120 AromaticContact CE1-CD2 3.63Å; Y117-Y120 HydrophobicContact CE1-CD2 3.63Å; Y117-Y120 HydrophobicContact CE1-CE2 4.11Å; Y117-Y120 WeakPolarHBondContact O-CB 3.14Å; Y117-Y120 PolarHBondContact O-N 3.47Å; Y117-H169 AromaticContact CD1-CE1 3.98Å; Y117-H169 AromaticContact CD2-CE1 3.68Å; Y117-H169 AromaticContact CE1-CE1 3.75Å; Y117-H169 AromaticContact CE2-CE1 3.44Å; Y117-H169 VanDerWaalsContact CE2-CE1 3.44Å; Y117-H169 WeakPolarHBondContact CE2-CE1 3.37Å; Y117-H169 AromaticContact CE2-NE2 3.59Å; Y117-H169 AromaticContact CG-CE1 3.93Å; Y117-H169 AromaticContact CZ-CE1 3.47Å; Y117-H169 VanDerWaalsContact CZ-CE1 3.47Å; Y117-H169 AromaticContact CZ-NE2 3.42Å; Y117-H169 PolarHBondContact OH-NE2 2.95Å; Y117-W424 HydrophobicContact CE1-CH2 4.04Å; Y117-W424 AromaticContact CZ-CH2 3.82Å; Y117-W424 WeakPolarHBondContact OH-CH2 3.42Å; Y117-D427 VanDerWaalsContact CE1-OD2 3.23Å; Y117-D427 WeakPolarHBondContact CE1-OD2 3.25Å; Y117-D427 VanDerWaalsContact OH-CG 3.25Å; Y117-D427 PolarHBondContact OH-OD1 3.27Å; Y117-D427 PolarHBondContact OH-OD2 3.21Å; Y117-M444 HydrophobicContact CD1-CG 4.02Å; Y117-M444 HydrophobicContact CD1-SD 4.17Å; Y117-M444 HydrophobicContact CD2-SD 4.19Å; Y117-M444 HydrophobicContact CE1-CG 4.04Å; Y117-M444 HydrophobicContact CE1-SD 4.28Å; Y117-M444 HydrophobicContact CE2-CE 4.23Å; Y117-M444 HydrophobicContact CE2-SD 4.27Å; Y117-M444 HydrophobicContact CG-SD 4.16Å |
| 118 | A | 96.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 24.4 Ų | 24.4 | 12% | 0.124 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -35.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S115 Y120 L133 S443 | S115-A118 WeakPolarHBondContact O-CB 3.17Å; S115-A118 PolarHBondContact O-N 2.72Å; S115-A118 VanDerWaalsContact O-N 3.08Å; S115-A118 PolarHBondContact OG-N 3.22Å; A118-Y120 PolarHBondContact O-N 3.08Å; A118-L133 HydrophobicContact CB-CD2 3.91Å; A118-S443 PolarHBondContact N-OG 3.36Å |
| 119 | S | 97 | Very high | 95.7 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -4.7 | 174.9 | -65.1 | 0 | 0 | 0 | 0 | 114.4 | Y117 L121 Q122 Y123 N441 S442 S443 | Y117-S119 PolarHBondContact O-N 3.21Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 2.98Å; S119-Q122 WeakPolarHBondContact O-CA 3.35Å; S119-Q122 WeakPolarHBondContact O-CB 3.44Å; S119-Q122 PolarHBondContact O-N 3.33Å; S119-Q122 PolarHBondContact OG-OE1 3.32Å; S119-Y123 WeakPolarHBondContact O-CD1 3.35Å; S119-Y123 VanDerWaalsContact O-CE1 3.3Å; S119-Y123 WeakPolarHBondContact O-CE1 3.3Å; S119-Y123 PolarHBondContact O-N 2.87Å; S119-N441 PolarHBondContact OG-O 2.63Å; S119-S442 WeakPolarHBondContact OG-CA 3.47Å; S119-S443 WeakPolarHBondContact CB-OG 3.45Å; S119-S443 PolarHBondContact N-OG 3.24Å; S119-S443 PolarHBondContact OG-N 3.12Å; S119-S443 PolarHBondContact OG-OG 3Å |
| 120 | Y | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | -178.8 | -158.7 | -104.1 | 0 | 0 | 0 | 112.5 | Y117 A118 Q122 Y123 G124 L166 H169 S171 T172 D427 Y428 | Y117-Y120 AromaticContact CD1-CD2 3.53Å; Y117-Y120 HydrophobicContact CD1-CD2 3.53Å; Y117-Y120 HydrophobicContact CD1-CE2 4.41Å; Y117-Y120 HydrophobicContact CD1-CG 4.02Å; Y117-Y120 AromaticContact CE1-CD2 3.63Å; Y117-Y120 HydrophobicContact CE1-CD2 3.63Å; Y117-Y120 HydrophobicContact CE1-CE2 4.11Å; Y117-Y120 WeakPolarHBondContact O-CB 3.14Å; Y117-Y120 PolarHBondContact O-N 3.47Å; A118-Y120 PolarHBondContact O-N 3.08Å; Y120-Q122 VanDerWaalsContact C-N 3.26Å; Y120-Q122 PolarHBondContact O-N 3.41Å; Y120-Y123 AromaticContact CD2-CD2 3.78Å; Y120-Y123 HydrophobicContact CD2-CD2 3.78Å; Y120-Y123 HydrophobicContact CD2-CE2 4.03Å; Y120-Y123 HydrophobicContact CE2-CD2 4.31Å; Y120-Y123 HydrophobicContact CG-CD2 4.43Å; Y120-Y123 WeakPolarHBondContact O-CB 3.29Å; Y120-Y123 PolarHBondContact O-N 3.4Å; Y120-G124 PolarHBondContact O-N 2.89Å; Y120-L166 HydrophobicContact CE1-CB 3.98Å; Y120-L166 HydrophobicContact CE1-CG 4.44Å; Y120-L166 WeakPolarHBondContact CE1-O 3.47Å; Y120-L166 PolarHBondContact OH-O 3.47Å; Y120-L166 VanDerWaalsContact OH-O 3.05Å; Y120-H169 HydrophobicContact CE1-CB 3.73Å; Y120-H169 HydrophobicContact CE2-CB 4.28Å; Y120-H169 AromaticContact CE2-CG 4Å; Y120-H169 VanDerWaalsContact CZ-CB 3.47Å; Y120-H169 AromaticContact CZ-CG 3.67Å; Y120-H169 AromaticContact CZ-ND1 3.89Å; Y120-H169 WeakPolarHBondContact OH-CB 3.4Å; Y120-S171 WeakPolarHBondContact CD1-OG 3.17Å; Y120-T172 HydrophobicContact CD1-CG2 3.66Å; Y120-T172 HydrophobicContact CE1-CG2 3.68Å; Y120-D427 HydrophobicContact CE2-CB 3.75Å; Y120-D427 WeakPolarHBondContact CE2-OD2 3.48Å; Y120-D427 WeakPolarHBondContact OH-CB 3.32Å; Y120-Y428 HydrophobicContact CE2-CD1 4.49Å; Y120-Y428 HydrophobicContact CE2-CE1 4.33Å; Y120-Y428 WeakPolarHBondContact OH-CD1 3.42Å |
| 121 | L | 96.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.7 | -22.4 | 174.5 | -63.4 | -160.7 | 0 | 0 | 0 | 112.5 | W105 V109 S119 G124 H125 I126 I129 L142 T172 | W105-L121 HydrophobicContact CB-CD1 3.71Å; W105-L121 HydrophobicContact CD2-CD1 4.32Å; W105-L121 HydrophobicContact CD2-CD2 4.35Å; W105-L121 HydrophobicContact CE3-CD1 4.27Å; W105-L121 HydrophobicContact CE3-CD2 4.29Å; W105-L121 HydrophobicContact CG-CD1 4.09Å; V109-L121 HydrophobicContact CG1-CB 4.06Å; V109-L121 HydrophobicContact CG1-CD1 3.69Å; V109-L121 HydrophobicContact CG1-CG 4.08Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 2.98Å; L121-G124 PolarHBondContact O-N 3.33Å; L121-H125 PolarHBondContact O-N 3.41Å; L121-I126 HydrophobicContact CB-CD1 3.98Å; L121-I126 HydrophobicContact CD1-CD1 4.07Å; L121-I126 HydrophobicContact CD2-CD1 3.85Å; L121-I126 HydrophobicContact CG-CD1 4.16Å; L121-I126 PolarHBondContact O-N 3.28Å; L121-I129 HydrophobicContact CB-CD1 4.15Å; L121-I129 HydrophobicContact CB-CG1 4.38Å; L121-L142 HydrophobicContact CD1-CD2 3.92Å; L121-T172 HydrophobicContact CD2-CG2 4.2Å |
| 122 | Q | 96.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 9% | 0.089 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | 170.5 | -168.1 | -177.1 | 12.4 | 0 | 0 | 110.9 | S119 Y120 G124 H125 I129 D130 L133 N441 | S119-Q122 WeakPolarHBondContact O-CA 3.35Å; S119-Q122 WeakPolarHBondContact O-CB 3.44Å; S119-Q122 PolarHBondContact O-N 3.33Å; S119-Q122 PolarHBondContact OG-OE1 3.32Å; Y120-Q122 VanDerWaalsContact C-N 3.26Å; Y120-Q122 PolarHBondContact O-N 3.41Å; Q122-G124 PolarHBondContact O-N 3.24Å; Q122-H125 WeakPolarHBondContact O-CA 3.45Å; Q122-H125 PolarHBondContact O-CD2 3.43Å; Q122-H125 PolarHBondContact O-N 2.79Å; Q122-I129 HydrophobicContact CB-CG1 3.98Å; Q122-I129 HydrophobicContact CB-CG2 4.31Å; Q122-I129 HydrophobicContact CG-CG2 4.29Å; Q122-D130 WeakPolarHBondContact CG-OD1 3.43Å; Q122-D130 PolarHBondContact NE2-OD1 2.99Å; Q122-L133 HydrophobicContact CB-CD1 4.37Å; Q122-N441 PolarHBondContact NE2-ND2 3.11Å |
| 123 | Y | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.1 | -28.5 | 174.5 | -52.9 | -16.6 | 0 | 0 | 0 | 112.6 | S119 Y120 H125 N436 S442 | S119-Y123 WeakPolarHBondContact O-CD1 3.35Å; S119-Y123 VanDerWaalsContact O-CE1 3.3Å; S119-Y123 WeakPolarHBondContact O-CE1 3.3Å; S119-Y123 PolarHBondContact O-N 2.87Å; Y120-Y123 AromaticContact CD2-CD2 3.78Å; Y120-Y123 HydrophobicContact CD2-CD2 3.78Å; Y120-Y123 HydrophobicContact CD2-CE2 4.03Å; Y120-Y123 HydrophobicContact CE2-CD2 4.31Å; Y120-Y123 HydrophobicContact CG-CD2 4.43Å; Y120-Y123 WeakPolarHBondContact O-CB 3.29Å; Y120-Y123 PolarHBondContact O-N 3.4Å; Y123-H125 VanDerWaalsContact C-N 3.3Å; Y123-H125 PolarHBondContact O-CD2 2.88Å; Y123-N436 WeakPolarHBondContact CB-ND2 3.43Å; Y123-N436 HydrophobicContact CD1-CB 3.51Å; Y123-N436 HydrophobicContact CD2-CB 4.16Å; Y123-N436 HydrophobicContact CE1-CB 3.6Å; Y123-N436 HydrophobicContact CE2-CB 4.22Å; Y123-N436 HydrophobicContact CG-CB 3.83Å; Y123-S442 PolarHBondContact OH-OG 3.39Å |
| 124 | G | 96.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y120 L121 Q122 I126 L156 | Y120-G124 PolarHBondContact O-N 2.89Å; L121-G124 PolarHBondContact O-N 3.33Å; Q122-G124 PolarHBondContact O-N 3.24Å; G124-I126 VanDerWaalsContact C-N 3.31Å; G124-I126 PolarHBondContact O-N 2.98Å; G124-L156 WeakPolarHBondContact O-CD1 3.39Å; G124-L156 WeakPolarHBondContact O-CD2 3.41Å |
| 125 | H | 97.1 | Very high | 95.9 | Very high | 47 Ų | 47 | 25.3 Ų | 25.3 | 22% | 0.218 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 38.4 | -176 | -69.1 | -106.2 | 0 | 0 | 0 | 113.7 | L121 Q122 Y123 A127 L156 S157 E158 V160 L462 | L121-H125 PolarHBondContact O-N 3.41Å; Q122-H125 WeakPolarHBondContact O-CA 3.45Å; Q122-H125 PolarHBondContact O-CD2 3.43Å; Q122-H125 PolarHBondContact O-N 2.79Å; Y123-H125 VanDerWaalsContact C-N 3.3Å; Y123-H125 PolarHBondContact O-CD2 2.88Å; H125-A127 PolarHBondContact O-N 2.77Å; H125-L156 CarbonylContact O-C 3.6Å; H125-L156 WeakPolarHBondContact O-CA 3.22Å; H125-L156 WeakPolarHBondContact O-CB 3.34Å; H125-S157 PolarHBondContact O-N 2.81Å; H125-S157 PolarHBondContact O-OG 3.04Å; H125-E158 IonicContact ND1-OE2 3.7Å; H125-V160 HydrophobicContact CB-CG2 3.93Å; H125-L462 WeakPolarHBondContact CD2-CD1 3.43Å; H125-L462 VanDerWaalsContact CE1-CD1 3.4Å; H125-L462 WeakPolarHBondContact CE1-CD1 3.31Å; H125-L462 WeakPolarHBondContact NE2-CD1 3.25Å |
| 126 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -62.6 | 133 | 176.7 | -66.7 | 174.6 | 0 | 0 | 0 | 109.8 | W105 L121 G124 G128 I129 L142 V144 V154 L156 F163 | W105-I126 HydrophobicContact CE3-CD1 3.67Å; W105-I126 HydrophobicContact CZ3-CD1 3.63Å; L121-I126 HydrophobicContact CB-CD1 3.98Å; L121-I126 HydrophobicContact CD1-CD1 4.07Å; L121-I126 HydrophobicContact CD2-CD1 3.85Å; L121-I126 HydrophobicContact CG-CD1 4.16Å; L121-I126 PolarHBondContact O-N 3.28Å; G124-I126 VanDerWaalsContact C-N 3.31Å; G124-I126 PolarHBondContact O-N 2.98Å; I126-G128 PolarHBondContact O-N 3.04Å; I126-I129 WeakPolarHBondContact O-CB 3.11Å; I126-I129 WeakPolarHBondContact O-CG2 3.48Å; I126-I129 PolarHBondContact O-N 3.16Å; I126-L142 HydrophobicContact CB-CD1 4.38Å; I126-L142 HydrophobicContact CG2-CD1 3.65Å; I126-L142 HydrophobicContact CG2-CG 3.86Å; I126-V144 HydrophobicContact CD1-CG2 4.32Å; I126-V144 HydrophobicContact CG2-CG2 3.95Å; I126-V154 HydrophobicContact CD1-CG1 4.08Å; I126-V154 HydrophobicContact CG1-CG1 3.9Å; I126-L156 HydrophobicContact CB-CD2 4.43Å; I126-L156 HydrophobicContact CG1-CD2 3.72Å; I126-F163 HydrophobicContact CD1-CE2 4.35Å; I126-F163 HydrophobicContact CD1-CZ 4.43Å; I126-F163 HydrophobicContact CG1-CE2 4.21Å |
| 127 | A | 98 | Very high | 95.8 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 22% | 0.223 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 134.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H125 I129 G143 T155 | H125-A127 PolarHBondContact O-N 2.77Å; A127-I129 VanDerWaalsContact C-N 3.32Å; A127-I129 PolarHBondContact O-N 3.45Å; A127-G143 PolarHBondContact O-N 2.91Å; A127-T155 HydrophobicContact CB-CG2 4.31Å; A127-T155 WeakPolarHBondContact CB-O 3.42Å; A127-T155 PolarHBondContact N-O 3.08Å |
| 128 | G | 96.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 38 Ų | 38 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -4.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | I126 D130 E131 I132 | I126-G128 PolarHBondContact O-N 3.04Å; G128-D130 PolarHBondContact O-N 2.76Å; G128-E131 WeakPolarHBondContact CA-OE2 3.18Å; G128-E131 PolarHBondContact O-N 2.86Å; G128-I132 WeakPolarHBondContact O-CD1 3.28Å; G128-I132 VanDerWaalsContact O-CG1 3.24Å; G128-I132 WeakPolarHBondContact O-CG1 3.47Å; G128-I132 PolarHBondContact O-N 2.82Å; G128-I132 VanDerWaalsContact O-N 3.15Å |
| 129 | I | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | -174.6 | -175.3 | 55.9 | 0 | 0 | 0 | 113.7 | V109 L121 Q122 I126 A127 E131 I132 L133 L142 | V109-I129 HydrophobicContact CB-CD1 3.74Å; V109-I129 HydrophobicContact CG1-CD1 3.31Å; V109-I129 HydrophobicContact CG2-CD1 4.32Å; L121-I129 HydrophobicContact CB-CD1 4.15Å; L121-I129 HydrophobicContact CB-CG1 4.38Å; Q122-I129 HydrophobicContact CB-CG1 3.98Å; Q122-I129 HydrophobicContact CB-CG2 4.31Å; Q122-I129 HydrophobicContact CG-CG2 4.29Å; I126-I129 WeakPolarHBondContact O-CB 3.11Å; I126-I129 WeakPolarHBondContact O-CG2 3.48Å; I126-I129 PolarHBondContact O-N 3.16Å; A127-I129 VanDerWaalsContact C-N 3.32Å; A127-I129 PolarHBondContact O-N 3.45Å; I129-E131 PolarHBondContact O-N 2.98Å; I129-I132 PolarHBondContact O-N 3.44Å; I129-L133 HydrophobicContact CD1-CD1 4.06Å; I129-L133 HydrophobicContact CD1-CD2 4.36Å; I129-L133 HydrophobicContact CD1-CG 3.92Å; I129-L133 HydrophobicContact CG1-CD1 4.01Å; I129-L133 HydrophobicContact CG1-CG 4.28Å; I129-L133 WeakPolarHBondContact O-CG 3.39Å; I129-L133 PolarHBondContact O-N 3.3Å; I129-L142 HydrophobicContact CB-CD1 4.18Å; I129-L142 HydrophobicContact CD1-CD1 3.95Å |
| 130 | D | 94.5 | Very high | 95.8 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.9 | -46.4 | -176.5 | -66.7 | -38.8 | 0 | 0 | 0 | 110.7 | Q122 G128 I132 L133 E134 | Q122-D130 WeakPolarHBondContact CG-OD1 3.43Å; Q122-D130 PolarHBondContact NE2-OD1 2.99Å; G128-D130 PolarHBondContact O-N 2.76Å; D130-I132 VanDerWaalsContact C-N 3.28Å; D130-I132 PolarHBondContact O-N 3.06Å; D130-L133 PolarHBondContact O-N 2.91Å; D130-E134 WeakPolarHBondContact O-CB 3.5Å; D130-E134 VanDerWaalsContact O-CG 3.25Å; D130-E134 WeakPolarHBondContact O-CG 3.48Å; D130-E134 PolarHBondContact O-N 3.04Å |
| 131 | E | 95.3 | Very high | 95.8 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.8 | -27.3 | 178.8 | -57.2 | 103.5 | 123.7 | 0 | 0 | 112.8 | G128 I129 G135 K136 K137 | G128-E131 WeakPolarHBondContact CA-OE2 3.18Å; G128-E131 PolarHBondContact O-N 2.86Å; I129-E131 PolarHBondContact O-N 2.98Å; E131-G135 PolarHBondContact O-N 3.47Å; E131-K136 HydrophobicContact CB-CB 4.12Å; E131-K136 WeakPolarHBondContact O-CA 3.37Å; E131-K136 WeakPolarHBondContact O-CB 3.26Å; E131-K136 PolarHBondContact O-N 3.11Å; E131-K137 HydrophobicContact CB-CB 4.14Å; E131-K137 HydrophobicContact CB-CD 3.83Å; E131-K137 HydrophobicContact CB-CG 3.83Å; E131-K137 HydrophobicContact CG-CD 4.39Å; E131-K137 PolarHBondContact O-N 2.87Å; E131-K137 VanDerWaalsContact O-N 3.11Å; E131-K137 IonicContact OE1-NZ 3.73Å; E131-K137 PolarHBondContact OE1-NZ 2.83Å; E131-K137 IonicContact OE2-NZ 2.76Å |
| 132 | I | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.4 | -48.4 | 174 | -70.4 | 164.9 | 0 | 0 | 0 | 110.4 | V109 G128 I129 D130 E134 G135 K137 I139 L142 | V109-I132 HydrophobicContact CB-CG2 4.34Å; V109-I132 HydrophobicContact CG2-CG2 3.83Å; G128-I132 WeakPolarHBondContact O-CD1 3.28Å; G128-I132 VanDerWaalsContact O-CG1 3.24Å; G128-I132 WeakPolarHBondContact O-CG1 3.47Å; G128-I132 PolarHBondContact O-N 2.82Å; G128-I132 VanDerWaalsContact O-N 3.15Å; I129-I132 PolarHBondContact O-N 3.44Å; D130-I132 VanDerWaalsContact C-N 3.28Å; D130-I132 PolarHBondContact O-N 3.06Å; I132-E134 PolarHBondContact O-N 3.25Å; I132-G135 PolarHBondContact O-N 2.89Å; I132-K137 HydrophobicContact CG1-CB 4Å; I132-I139 HydrophobicContact CG2-CG2 3.93Å; I132-L142 HydrophobicContact CD1-CB 3.77Å; I132-L142 HydrophobicContact CD1-CD1 4Å |
| 133 | L | 93.3 | Very high | 95.9 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64 | -31.2 | 178.5 | -66.4 | 179.1 | 0 | 0 | 0 | 112.1 | V109 A118 Q122 I129 D130 G135 | V109-L133 HydrophobicContact CB-CD2 4.17Å; A118-L133 HydrophobicContact CB-CD2 3.91Å; Q122-L133 HydrophobicContact CB-CD1 4.37Å; I129-L133 HydrophobicContact CD1-CD1 4.06Å; I129-L133 HydrophobicContact CD1-CD2 4.36Å; I129-L133 HydrophobicContact CD1-CG 3.92Å; I129-L133 HydrophobicContact CG1-CD1 4.01Å; I129-L133 HydrophobicContact CG1-CG 4.28Å; I129-L133 WeakPolarHBondContact O-CG 3.39Å; I129-L133 PolarHBondContact O-N 3.3Å; D130-L133 PolarHBondContact O-N 2.91Å; L133-G135 VanDerWaalsContact C-N 3.26Å; L133-G135 PolarHBondContact O-N 2.95Å |
| 134 | E | 91.6 | Very high | 96 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -3.4 | 172.8 | -69 | 177.5 | 164 | 0 | 0 | 114 | D130 I132 K136 | D130-E134 WeakPolarHBondContact O-CB 3.5Å; D130-E134 VanDerWaalsContact O-CG 3.25Å; D130-E134 WeakPolarHBondContact O-CG 3.48Å; D130-E134 PolarHBondContact O-N 3.04Å; I132-E134 PolarHBondContact O-N 3.25Å; E134-K136 VanDerWaalsContact C-N 3.3Å; E134-K136 HydrophobicContact CB-CD 4.15Å; E134-K136 HydrophobicContact CB-CG 4.13Å; E134-K136 PolarHBondContact O-N 2.79Å; E134-K136 WeakPolarHBondContact OE2-CD 3.21Å; E134-K136 WeakPolarHBondContact OE2-CE 3.46Å; E134-K136 IonicContact OE2-NZ 3.29Å; E134-K136 PolarHBondContact OE2-NZ 3.31Å |
| 135 | G | 92 | Very high | 96.1 | Very high | 62 Ų | 62 | 52.3 Ų | 52.3 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 17.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | E131 I132 L133 | E131-G135 PolarHBondContact O-N 3.47Å; I132-G135 PolarHBondContact O-N 2.89Å; L133-G135 VanDerWaalsContact C-N 3.26Å; L133-G135 PolarHBondContact O-N 2.95Å |
| 136 | K | 94.8 | Very high | 96.1 | Very high | 150 Ų | 150 | 51.5 Ų | 51.5 | 65% | 0.652 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -90.7 | -22.3 | -178.8 | -63.7 | 175.9 | -176.9 | 166.1 | 0 | 113.6 | E131 E134 | E131-K136 HydrophobicContact CB-CB 4.12Å; E131-K136 WeakPolarHBondContact O-CA 3.37Å; E131-K136 WeakPolarHBondContact O-CB 3.26Å; E131-K136 PolarHBondContact O-N 3.11Å; E134-K136 VanDerWaalsContact C-N 3.3Å; E134-K136 HydrophobicContact CB-CD 4.15Å; E134-K136 HydrophobicContact CB-CG 4.13Å; E134-K136 PolarHBondContact O-N 2.79Å; E134-K136 WeakPolarHBondContact OE2-CD 3.21Å; E134-K136 WeakPolarHBondContact OE2-CE 3.46Å; E134-K136 IonicContact OE2-NZ 3.29Å; E134-K136 PolarHBondContact OE2-NZ 3.31Å |
| 137 | K | 94.9 | Very high | 96.1 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -127.6 | 150.5 | 175 | -75.9 | -176.4 | -176.2 | 158.6 | 0 | 111.1 | E131 I132 D141 | E131-K137 HydrophobicContact CB-CB 4.14Å; E131-K137 HydrophobicContact CB-CD 3.83Å; E131-K137 HydrophobicContact CB-CG 3.83Å; E131-K137 HydrophobicContact CG-CD 4.39Å; E131-K137 PolarHBondContact O-N 2.87Å; E131-K137 VanDerWaalsContact O-N 3.11Å; E131-K137 IonicContact OE1-NZ 3.73Å; E131-K137 PolarHBondContact OE1-NZ 2.83Å; E131-K137 IonicContact OE2-NZ 2.76Å; I132-K137 HydrophobicContact CG1-CB 4Å; K137-D141 HydrophobicContact CB-CB 4.32Å; K137-D141 HydrophobicContact CD-CB 4.26Å |
| 138 | P | 96.5 | Very high | 96.1 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | trans | -68.2 | 151.4 | 172.5 | 31.1 | -35.2 | 0 | 0 | 0 | 110.7 | T140 D141 | P138-T140 PolarHBondContact O-N 2.79Å; P138-D141 WeakPolarHBondContact O-CB 3.44Å; P138-D141 PolarHBondContact O-N 2.83Å | ||
| 139 | I | 96.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 61.5 Ų | 61.5 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -55.9 | -24.6 | 178.7 | 63.4 | 178.1 | 0 | 0 | 0 | 113.3 | Q106 D110 I132 D141 L142 | Q106-I139 HydrophobicContact CB-CB 4.35Å; Q106-I139 HydrophobicContact CB-CD1 4.26Å; Q106-I139 HydrophobicContact CB-CG1 4.37Å; Q106-I139 WeakPolarHBondContact CG-O 3.33Å; D110-I139 HydrophobicContact CB-CD1 4.32Å; D110-I139 HydrophobicContact CB-CG2 3.92Å; I132-I139 HydrophobicContact CG2-CG2 3.93Å; I139-D141 PolarHBondContact O-N 3.23Å; I139-L142 VanDerWaalsContact O-CB 3.32Å; I139-L142 WeakPolarHBondContact O-CB 3.44Å; I139-L142 PolarHBondContact O-N 2.86Å |
| 140 | T | 97 | Very high | 96.3 | Very high | 91 Ų | 91 | 63.7 Ų | 63.7 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -66.3 | -17.8 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 114 | P138 L142 | P138-T140 PolarHBondContact O-N 2.79Å; T140-L142 PolarHBondContact O-N 2.84Å |
| 141 | D | 96.8 | Very high | 96.5 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -83.3 | -0.4 | 178.1 | -75.7 | 14.9 | 0 | 0 | 0 | 112.8 | K137 P138 I139 G143 | K137-D141 HydrophobicContact CB-CB 4.32Å; K137-D141 HydrophobicContact CD-CB 4.26Å; P138-D141 WeakPolarHBondContact O-CB 3.44Å; P138-D141 PolarHBondContact O-N 2.83Å; I139-D141 PolarHBondContact O-N 3.23Å; D141-G143 PolarHBondContact O-N 3.01Å |
| 142 | L | 97.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -60.1 | 133.5 | 175.9 | -169.9 | 69.9 | 0 | 0 | 0 | 109.5 | W105 Q106 V109 L121 I126 I129 I132 I139 T140 V144 | W105-L142 HydrophobicContact CB-CD2 4.05Å; W105-L142 WeakPolarHBondContact O-CD2 3.47Å; Q106-L142 HydrophobicContact CG-CB 4.41Å; Q106-L142 HydrophobicContact CG-CD2 4.39Å; V109-L142 HydrophobicContact CG2-CD1 4.45Å; V109-L142 HydrophobicContact CG2-CD2 4.16Å; L121-L142 HydrophobicContact CD1-CD2 3.92Å; I126-L142 HydrophobicContact CB-CD1 4.38Å; I126-L142 HydrophobicContact CG2-CD1 3.65Å; I126-L142 HydrophobicContact CG2-CG 3.86Å; I129-L142 HydrophobicContact CB-CD1 4.18Å; I129-L142 HydrophobicContact CD1-CD1 3.95Å; I132-L142 HydrophobicContact CD1-CB 3.77Å; I132-L142 HydrophobicContact CD1-CD1 4Å; I139-L142 VanDerWaalsContact O-CB 3.32Å; I139-L142 WeakPolarHBondContact O-CB 3.44Å; I139-L142 PolarHBondContact O-N 2.86Å; T140-L142 PolarHBondContact O-N 2.84Å; L142-V144 HydrophobicContact CD2-CG2 3.99Å; L142-V144 HydrophobicContact CG-CG2 4.02Å; L142-V144 PolarHBondContact O-N 2.89Å |
| 143 | G | 98 | Very high | 96.8 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -67.9 | 50.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A127 D141 V154 T155 | A127-G143 PolarHBondContact O-N 2.91Å; D141-G143 PolarHBondContact O-N 3.01Å; G143-V154 CarbonylContact O-C 3.55Å; G143-V154 WeakPolarHBondContact O-CA 3.49Å; G143-T155 PolarHBondContact O-N 3.04Å |
| 144 | V | 98 | Very high | 97.1 | Very high | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 122.6 | -176.7 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | V102 W105 I126 L142 L152 E153 V154 | V102-V144 HydrophobicContact CG2-CG1 4.09Å; W105-V144 HydrophobicContact CE3-CB 4.48Å; W105-V144 HydrophobicContact CE3-CG1 4.08Å; W105-V144 HydrophobicContact CE3-CG2 3.53Å; W105-V144 HydrophobicContact CZ3-CG2 4.07Å; I126-V144 HydrophobicContact CD1-CG2 4.32Å; I126-V144 HydrophobicContact CG2-CG2 3.95Å; L142-V144 HydrophobicContact CD2-CG2 3.99Å; L142-V144 HydrophobicContact CG-CG2 4.02Å; L142-V144 PolarHBondContact O-N 2.89Å; V144-L152 HydrophobicContact CG1-CD1 3.75Å; V144-L152 HydrophobicContact CG1-CG 4.34Å; V144-E153 WeakPolarHBondContact CA-O 3.34Å; V144-V154 HydrophobicContact CG1-CG2 4.48Å; V144-V154 HydrophobicContact CG2-CG1 4.37Å |
| 145 | K | 98.1 | Very high | 97.4 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 146.7 | 179.3 | 63.2 | 177.2 | 174 | 174.5 | 0 | 111.9 | I147 E153 | K145-I147 HydrophobicContact CD-CD1 3.92Å; K145-I147 VanDerWaalsContact CE-CD1 3.49Å; K145-I147 HydrophobicContact CG-CD1 4.23Å; K145-E153 WeakPolarHBondContact CE-OE1 3.49Å; K145-E153 WeakPolarHBondContact CE-OE2 3.29Å; K145-E153 HydrophobicContact CG-CB 4.07Å; K145-E153 PolarHBondContact N-O 2.76Å; K145-E153 VanDerWaalsContact NZ-CD 3.28Å; K145-E153 IonicContact NZ-OE1 3.99Å; K145-E153 PolarHBondContact NZ-OE1 3.27Å; K145-E153 IonicContact NZ-OE2 2.74Å; K145-E153 PolarHBondContact NZ-OE2 3.16Å; K145-E153 PolarHBondContact O-N 3.32Å |
| 146 | A | 98.5 | Very high | 97.7 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 26% | 0.256 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 115 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | A98 Q99 V102 | A98-A146 HydrophobicContact CB-CB 3.55Å; Q99-A146 HydrophobicContact CG-CB 3.93Å; V102-A146 HydrophobicContact CG2-CB 4.16Å |
| 147 | I | 98.2 | Very high | 97.8 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -40 | 172 | -60 | -61.4 | 0 | 0 | 0 | 109.7 | K145 T151 E153 | K145-I147 HydrophobicContact CD-CD1 3.92Å; K145-I147 VanDerWaalsContact CE-CD1 3.49Å; K145-I147 HydrophobicContact CG-CD1 4.23Å; I147-T151 HydrophobicContact CB-CG2 3.97Å; I147-T151 HydrophobicContact CG1-CG2 4.14Å; I147-T151 PolarHBondContact N-O 3.38Å; I147-E153 HydrophobicContact CD1-CB 4.24Å; I147-E153 HydrophobicContact CG1-CB 4.07Å |
| 148 | D | 98.2 | Very high | 97.7 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | -175.3 | 169.3 | 58.2 | 52.3 | 0 | 0 | 0 | 108.3 | A98 H150 T151 | A98-D148 WeakPolarHBondContact CB-O 3.22Å; D148-H150 PolarHBondContact O-N 2.84Å; D148-H150 VanDerWaalsContact O-N 3.11Å; D148-H150 VanDerWaalsContact OD1-C 3.31Å; D148-H150 WeakPolarHBondContact OD1-CA 3.26Å; D148-H150 PolarHBondContact OD1-N 2.91Å; D148-T151 PolarHBondContact O-N 2.84Å; D148-T151 VanDerWaalsContact OD1-CB 3.31Å; D148-T151 WeakPolarHBondContact OD1-CB 3.47Å; D148-T151 PolarHBondContact OD1-N 3.18Å; D148-T151 PolarHBondContact OD1-OG1 2.89Å; D148-T151 PolarHBondContact OD2-OG1 3.4Å; D148-T151 VanDerWaalsContact OD2-OG1 3.11Å |
| 149 | D | 98.3 | Very high | 97.7 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20 | -177.1 | -66.7 | -8.6 | 0 | 0 | 0 | 113.9 | T97 A98 Q99 | T97-D149 CarbonylContact C-O 3.2Å; T97-D149 VanDerWaalsContact CA-O 3.23Å; T97-D149 WeakPolarHBondContact CA-O 3.47Å; T97-D149 WeakPolarHBondContact CB-O 3.01Å; T97-D149 HydrophobicContact CG2-CB 4.21Å; A98-D149 PolarHBondContact N-O 3.18Å; Q99-D149 PolarHBondContact NE2-OD1 2.82Å; Q99-D149 PolarHBondContact OE1-OD1 2.9Å |
| 150 | H | 98.5 | Very high | 97.6 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 10.6 | -175.7 | -62.4 | -66.3 | 0 | 0 | 0 | 113.5 | L84 D148 | L84-H150 HydrophobicContact CB-CB 4.44Å; L84-H150 PolarHBondContact N-O 2.79Å; D148-H150 PolarHBondContact O-N 2.84Å; D148-H150 VanDerWaalsContact O-N 3.11Å; D148-H150 VanDerWaalsContact OD1-C 3.31Å; D148-H150 WeakPolarHBondContact OD1-CA 3.26Å; D148-H150 PolarHBondContact OD1-N 2.91Å |
| 151 | T | 98.7 | Very high | 97.4 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 108.6 | -178.1 | -51.6 | 0 | 0 | 0 | 0 | 110 | T81 I147 D148 | T81-T151 HydrophobicContact CG2-CG2 3.76Å; I147-T151 HydrophobicContact CB-CG2 3.97Å; I147-T151 HydrophobicContact CG1-CG2 4.14Å; I147-T151 PolarHBondContact N-O 3.38Å; D148-T151 PolarHBondContact O-N 2.84Å; D148-T151 VanDerWaalsContact OD1-CB 3.31Å; D148-T151 WeakPolarHBondContact OD1-CB 3.47Å; D148-T151 PolarHBondContact OD1-N 3.18Å; D148-T151 PolarHBondContact OD1-OG1 2.89Å; D148-T151 PolarHBondContact OD2-OG1 3.4Å; D148-T151 VanDerWaalsContact OD2-OG1 3.11Å |
| 152 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.5 | 176 | -174.1 | 76.7 | 0 | 0 | 0 | 109.6 | L55 T81 F82 A98 F101 V102 V144 V154 | L55-L152 HydrophobicContact CD1-CD2 3.82Å; L55-L152 HydrophobicContact CD2-CD2 4Å; L55-L152 HydrophobicContact CG-CD2 4.48Å; T81-L152 CarbonylContact C-O 3.59Å; T81-L152 WeakPolarHBondContact CA-O 3.3Å; F82-L152 HydrophobicContact CB-CB 4.38Å; F82-L152 PolarHBondContact N-O 3.23Å; F82-L152 PolarHBondContact O-N 3.01Å; A98-L152 HydrophobicContact CB-CB 4.11Å; A98-L152 HydrophobicContact CB-CD1 4.19Å; F101-L152 HydrophobicContact CB-CD1 4Å; F101-L152 HydrophobicContact CB-CD2 3.75Å; F101-L152 HydrophobicContact CG-CD2 4.15Å; V102-L152 HydrophobicContact CG2-CD1 3.81Å; V144-L152 HydrophobicContact CG1-CD1 3.75Å; V144-L152 HydrophobicContact CG1-CG 4.34Å; L152-V154 HydrophobicContact CD2-CG2 4.28Å; L152-V154 HydrophobicContact CG-CG2 4.43Å |
| 153 | E | 98.7 | Very high | 97.3 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.9 | 172.3 | -170.8 | -172.9 | 109.2 | 0 | 0 | 109.9 | V79 W80 V144 K145 I147 | V79-E153 HydrophobicContact CG1-CG 3.7Å; W80-E153 CarbonylContact O-C 3.53Å; W80-E153 WeakPolarHBondContact O-CA 3.44Å; V144-E153 WeakPolarHBondContact CA-O 3.34Å; K145-E153 WeakPolarHBondContact CE-OE1 3.49Å; K145-E153 WeakPolarHBondContact CE-OE2 3.29Å; K145-E153 HydrophobicContact CG-CB 4.07Å; K145-E153 PolarHBondContact N-O 2.76Å; K145-E153 VanDerWaalsContact NZ-CD 3.28Å; K145-E153 IonicContact NZ-OE1 3.99Å; K145-E153 PolarHBondContact NZ-OE1 3.27Å; K145-E153 IonicContact NZ-OE2 2.74Å; K145-E153 PolarHBondContact NZ-OE2 3.16Å; K145-E153 PolarHBondContact O-N 3.32Å; I147-E153 HydrophobicContact CD1-CB 4.24Å; I147-E153 HydrophobicContact CG1-CB 4.07Å |
| 154 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.5 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 109 | V79 W80 F82 W105 I126 G143 V144 L152 L156 F163 | V79-V154 WeakPolarHBondContact CA-O 3.33Å; W80-V154 HydrophobicContact CB-CB 4.46Å; W80-V154 PolarHBondContact N-O 2.89Å; W80-V154 PolarHBondContact O-N 2.91Å; F82-V154 HydrophobicContact CD2-CG2 4.3Å; F82-V154 HydrophobicContact CE2-CG2 4.03Å; W105-V154 HydrophobicContact CH2-CG2 3.97Å; W105-V154 HydrophobicContact CZ3-CB 4.49Å; W105-V154 HydrophobicContact CZ3-CG1 4.03Å; W105-V154 HydrophobicContact CZ3-CG2 3.61Å; I126-V154 HydrophobicContact CD1-CG1 4.08Å; I126-V154 HydrophobicContact CG1-CG1 3.9Å; G143-V154 CarbonylContact O-C 3.55Å; G143-V154 WeakPolarHBondContact O-CA 3.49Å; V144-V154 HydrophobicContact CG1-CG2 4.48Å; V144-V154 HydrophobicContact CG2-CG1 4.37Å; L152-V154 HydrophobicContact CD2-CG2 4.28Å; L152-V154 HydrophobicContact CG-CG2 4.43Å; V154-L156 HydrophobicContact CG1-CD2 3.77Å; V154-F163 HydrophobicContact CB-CE1 4.31Å; V154-F163 HydrophobicContact CB-CZ 4.36Å; V154-F163 HydrophobicContact CG1-CE1 4.15Å; V154-F163 HydrophobicContact CG1-CZ 3.74Å |
| 155 | T | 98.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.2 | 176.9 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | A127 G143 | A127-T155 HydrophobicContact CB-CG2 4.31Å; A127-T155 WeakPolarHBondContact CB-O 3.42Å; A127-T155 PolarHBondContact N-O 3.08Å; G143-T155 PolarHBondContact O-N 3.04Å |
| 156 | L | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -102.1 | 147.3 | 178.6 | -46.1 | -175 | 0 | 0 | 0 | 110.8 | K78 G124 H125 I126 V154 E158 V160 F163 | K78-L156 VanDerWaalsContact CE-O 3.25Å; K78-L156 WeakPolarHBondContact CE-O 3.43Å; K78-L156 WeakPolarHBondContact O-CB 3.42Å; K78-L156 WeakPolarHBondContact O-CG 3.17Å; K78-L156 PolarHBondContact O-N 2.88Å; G124-L156 WeakPolarHBondContact O-CD1 3.39Å; G124-L156 WeakPolarHBondContact O-CD2 3.41Å; H125-L156 CarbonylContact O-C 3.6Å; H125-L156 WeakPolarHBondContact O-CA 3.22Å; H125-L156 WeakPolarHBondContact O-CB 3.34Å; I126-L156 HydrophobicContact CB-CD2 4.43Å; I126-L156 HydrophobicContact CG1-CD2 3.72Å; V154-L156 HydrophobicContact CG1-CD2 3.77Å; L156-E158 VanDerWaalsContact C-N 3.31Å; L156-E158 WeakPolarHBondContact CB-O 3.3Å; L156-V160 HydrophobicContact CD1-CB 3.78Å; L156-V160 HydrophobicContact CD1-CG2 3.92Å; L156-F163 HydrophobicContact CD1-CB 4.05Å; L156-F163 HydrophobicContact CD1-CD1 4.49Å; L156-F163 HydrophobicContact CD1-CD2 3.86Å; L156-F163 HydrophobicContact CD1-CE2 4.49Å; L156-F163 HydrophobicContact CD1-CG 3.87Å; L156-F163 HydrophobicContact CD2-CD2 4.02Å; L156-F163 HydrophobicContact CD2-CE2 3.82Å; L156-F163 HydrophobicContact CD2-CZ 4.18Å |
| 157 | S | 96.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 36 Ų | 36 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -68.2 | -32.8 | 175.8 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | K78 H125 | K78-S157 VanDerWaalsContact CE-O 3.25Å; K78-S157 WeakPolarHBondContact CE-O 3.48Å; K78-S157 PolarHBondContact NZ-O 2.9Å; H125-S157 PolarHBondContact O-N 2.81Å; H125-S157 PolarHBondContact O-OG 3.04Å |
| 158 | E | 94.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 32 Ų | 32 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -133.1 | 159.6 | -178.1 | -62.5 | -173 | 163.3 | 0 | 0 | 111.7 | H125 L156 V160 L462 | H125-E158 IonicContact ND1-OE2 3.7Å; L156-E158 VanDerWaalsContact C-N 3.31Å; L156-E158 WeakPolarHBondContact CB-O 3.3Å; E158-V160 PolarHBondContact O-N 2.97Å; E158-L462 HydrophobicContact CB-CB 4.48Å; E158-L462 WeakPolarHBondContact OE2-CB 3.13Å |
| 159 | P | 94.6 | Very high | 97.2 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 33% | 0.331 | 16% | 0.155 | S | C | . | . | trans | -66.9 | 119.5 | 175.2 | -17.7 | 31.4 | 0 | 0 | 0 | 111.5 | A77 K78 P161 | A77-P159 HydrophobicContact CB-CB 4.32Å; K78-P159 HydrophobicContact CD-CG 4.02Å; K78-P159 HydrophobicContact CG-CB 4.08Å; K78-P159 HydrophobicContact CG-CG 3.84Å; P159-P161 WeakPolarHBondContact O-CD 3.06Å | ||
| 160 | V | 95.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -121 | 90.3 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | A77 W80 H125 L156 E158 Y162 F163 L462 | A77-V160 PolarHBondContact O-N 2.9Å; W80-V160 WeakPolarHBondContact CZ2-O 3.4Å; H125-V160 HydrophobicContact CB-CG2 3.93Å; L156-V160 HydrophobicContact CD1-CB 3.78Å; L156-V160 HydrophobicContact CD1-CG2 3.92Å; E158-V160 PolarHBondContact O-N 2.97Å; V160-Y162 HydrophobicContact CG1-CD2 3.65Å; V160-Y162 HydrophobicContact CG1-CE1 4.43Å; V160-Y162 HydrophobicContact CG1-CE2 3.41Å; V160-Y162 VanDerWaalsContact CG1-CE2 3.41Å; V160-Y162 HydrophobicContact CG1-CG 4.26Å; V160-Y162 PolarHBondContact O-N 3.38Å; V160-Y162 VanDerWaalsContact O-N 3.12Å; V160-F163 HydrophobicContact CB-CB 4.14Å; V160-F163 HydrophobicContact CG1-CB 4.08Å; V160-F163 WeakPolarHBondContact O-CB 3.36Å; V160-F163 PolarHBondContact O-N 2.93Å; V160-L462 HydrophobicContact CG2-CD1 3.98Å; V160-L462 HydrophobicContact CG2-CD2 4.19Å | ||
| 161 | P | 93.2 | Very high | 97.1 | Very high | 57 Ų | 57 | 22.6 Ų | 22.6 | 37% | 0.37 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.8 | -173.9 | -25.9 | 35.4 | 0 | 0 | 0 | 114.4 | A77 P159 | A77-P161 HydrophobicContact CB-CG 4.4Å; P159-P161 WeakPolarHBondContact O-CD 3.06Å |
| 162 | Y | 94.4 | Very high | 97.1 | Very high | 12 Ų | 12 | 21.6 Ų | 21.6 | 5% | 0.047 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 9.9 | -179.5 | 51 | -103.1 | 0 | 0 | 0 | 113.4 | V160 Y164 K165 L166 Y428 E430 T432 L462 | V160-Y162 HydrophobicContact CG1-CD2 3.65Å; V160-Y162 HydrophobicContact CG1-CE1 4.43Å; V160-Y162 HydrophobicContact CG1-CE2 3.41Å; V160-Y162 VanDerWaalsContact CG1-CE2 3.41Å; V160-Y162 HydrophobicContact CG1-CG 4.26Å; V160-Y162 PolarHBondContact O-N 3.38Å; V160-Y162 VanDerWaalsContact O-N 3.12Å; Y162-Y164 VanDerWaalsContact C-N 3.27Å; Y162-Y164 PolarHBondContact O-N 2.83Å; Y162-K165 VanDerWaalsContact O-CB 3.3Å; Y162-K165 WeakPolarHBondContact O-CB 3.38Å; Y162-K165 PolarHBondContact O-N 3.16Å; Y162-L166 HydrophobicContact CD2-CD1 3.83Å; Y162-L166 HydrophobicContact CE2-CD1 4.36Å; Y162-L166 WeakPolarHBondContact O-CD1 3.23Å; Y162-Y428 HydrophobicContact CD2-CE2 4.22Å; Y162-Y428 HydrophobicContact CE2-CE2 4.34Å; Y162-E430 HydrophobicContact CD1-CG 3.84Å; Y162-E430 HydrophobicContact CD2-CG 4.41Å; Y162-E430 HydrophobicContact CE1-CG 4.27Å; Y162-E430 HydrophobicContact CG-CG 3.91Å; Y162-T432 WeakPolarHBondContact OH-CG2 3.34Å; Y162-L462 HydrophobicContact CE1-CD2 4.24Å; Y162-L462 WeakPolarHBondContact OH-CD2 3.31Å |
| 163 | F | 97.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -51.4 | -44.2 | -176.2 | 177.6 | -106 | 0 | 0 | 0 | 112.8 | W80 F82 W105 I126 V154 L156 V160 K165 L166 L167 | W80-F163 HydrophobicContact CB-CD1 4.18Å; W80-F163 HydrophobicContact CB-CE1 4.23Å; W80-F163 AromaticContact CD1-CD1 3.62Å; W80-F163 HydrophobicContact CD2-CB 4.37Å; W80-F163 AromaticContact CD2-CD1 3.74Å; W80-F163 HydrophobicContact CD2-CD1 3.74Å; W80-F163 HydrophobicContact CD2-CG 4.48Å; W80-F163 AromaticContact CE2-CD1 3.93Å; W80-F163 HydrophobicContact CE3-CD1 4.4Å; W80-F163 AromaticContact CG-CD1 3.59Å; W80-F163 HydrophobicContact CG-CD1 3.59Å; W80-F163 HydrophobicContact CG-CE1 4.11Å; W80-F163 HydrophobicContact CG-CG 4.46Å; W80-F163 HydrophobicContact CZ2-CB 3.87Å; W80-F163 AromaticContact NE1-CD1 3.82Å; W80-F163 AromaticContact NE1-CG 3.96Å; F82-F163 HydrophobicContact CE2-CE1 4.08Å; F82-F163 HydrophobicContact CZ-CD1 4.36Å; F82-F163 HydrophobicContact CZ-CE1 4.01Å; W105-F163 HydrophobicContact CH2-CZ 4.18Å; W105-F163 HydrophobicContact CZ3-CZ 4.2Å; I126-F163 HydrophobicContact CD1-CE2 4.35Å; I126-F163 HydrophobicContact CD1-CZ 4.43Å; I126-F163 HydrophobicContact CG1-CE2 4.21Å; V154-F163 HydrophobicContact CB-CE1 4.31Å; V154-F163 HydrophobicContact CB-CZ 4.36Å; V154-F163 HydrophobicContact CG1-CE1 4.15Å; V154-F163 HydrophobicContact CG1-CZ 3.74Å; L156-F163 HydrophobicContact CD1-CB 4.05Å; L156-F163 HydrophobicContact CD1-CD1 4.49Å; L156-F163 HydrophobicContact CD1-CD2 3.86Å; L156-F163 HydrophobicContact CD1-CE2 4.49Å; L156-F163 HydrophobicContact CD1-CG 3.87Å; L156-F163 HydrophobicContact CD2-CD2 4.02Å; L156-F163 HydrophobicContact CD2-CE2 3.82Å; L156-F163 HydrophobicContact CD2-CZ 4.18Å; V160-F163 HydrophobicContact CB-CB 4.14Å; V160-F163 HydrophobicContact CG1-CB 4.08Å; V160-F163 WeakPolarHBondContact O-CB 3.36Å; V160-F163 PolarHBondContact O-N 2.93Å; F163-K165 PolarHBondContact O-N 3.33Å; F163-K165 VanDerWaalsContact O-N 3.17Å; F163-L166 WeakPolarHBondContact O-CB 3.42Å; F163-L166 PolarHBondContact O-N 3.4Å; F163-L167 HydrophobicContact CD1-CD1 4.24Å; F163-L167 HydrophobicContact CE1-CD1 3.86Å; F163-L167 HydrophobicContact CE1-CD2 4.09Å; F163-L167 HydrophobicContact CE1-CG 4.35Å; F163-L167 HydrophobicContact CE2-CD2 4.46Å; F163-L167 HydrophobicContact CZ-CD1 4.5Å; F163-L167 HydrophobicContact CZ-CD2 3.88Å |
| 164 | Y | 97.3 | Very high | 97.1 | Very high | 68 Ų | 68 | 20 Ų | 20 | 27% | 0.267 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -60.3 | -26.5 | 178.4 | 75.8 | -79.2 | 0 | 0 | 0 | 113.8 | L56 P64 W72 W80 Y162 L166 L167 | L56-Y164 HydrophobicContact CD2-CD2 4.11Å; P64-Y164 HydrophobicContact CB-CD2 3.98Å; P64-Y164 HydrophobicContact CB-CE2 4.08Å; P64-Y164 HydrophobicContact CG-CD2 4.19Å; P64-Y164 HydrophobicContact CG-CE2 3.96Å; W72-Y164 HydrophobicContact CZ2-CD2 4.28Å; W80-Y164 AromaticContact CH2-CD1 3.77Å; W80-Y164 HydrophobicContact CH2-CD1 3.77Å; W80-Y164 HydrophobicContact CH2-CG 4.43Å; W80-Y164 HydrophobicContact CZ3-CD1 4.07Å; W80-Y164 HydrophobicContact CZ3-CG 4.3Å; Y162-Y164 VanDerWaalsContact C-N 3.27Å; Y162-Y164 PolarHBondContact O-N 2.83Å; Y164-L166 VanDerWaalsContact C-N 3.29Å; Y164-L166 PolarHBondContact O-N 2.69Å; Y164-L167 PolarHBondContact O-N 2.9Å |
| 165 | K | 97.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 20 Ų | 20 | 14% | 0.143 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.7 | -28.2 | 176.8 | -63.9 | -176.6 | 166.3 | -178.3 | 0 | 111.9 | P64 Y162 F163 L167 D331 Y428 N429 | P64-K165 HydrophobicContact CG-CB 4.29Å; P64-K165 HydrophobicContact CG-CG 4.05Å; Y162-K165 VanDerWaalsContact O-CB 3.3Å; Y162-K165 WeakPolarHBondContact O-CB 3.38Å; Y162-K165 PolarHBondContact O-N 3.16Å; F163-K165 PolarHBondContact O-N 3.33Å; F163-K165 VanDerWaalsContact O-N 3.17Å; K165-L167 VanDerWaalsContact C-N 3.27Å; K165-L167 PolarHBondContact O-N 3.38Å; K165-D331 IonicContact NZ-OD2 3.85Å; K165-D331 PolarHBondContact NZ-OD2 3.22Å; K165-Y428 WeakPolarHBondContact O-CB 3.46Å; K165-N429 PolarHBondContact NZ-O 3.38Å |
| 166 | L | 97.7 | Very high | 97 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.3 | -26 | 178.8 | -77.9 | 63.6 | 0 | 0 | 0 | 112.2 | Y120 Y162 F163 Y164 V168 H169 Y428 | Y120-L166 HydrophobicContact CE1-CB 3.98Å; Y120-L166 HydrophobicContact CE1-CG 4.44Å; Y120-L166 WeakPolarHBondContact CE1-O 3.47Å; Y120-L166 PolarHBondContact OH-O 3.47Å; Y120-L166 VanDerWaalsContact OH-O 3.05Å; Y162-L166 HydrophobicContact CD2-CD1 3.83Å; Y162-L166 HydrophobicContact CE2-CD1 4.36Å; Y162-L166 WeakPolarHBondContact O-CD1 3.23Å; F163-L166 WeakPolarHBondContact O-CB 3.42Å; F163-L166 PolarHBondContact O-N 3.4Å; Y164-L166 VanDerWaalsContact C-N 3.29Å; Y164-L166 PolarHBondContact O-N 2.69Å; L166-V168 PolarHBondContact O-N 3.4Å; L166-V168 VanDerWaalsContact O-N 3.08Å; L166-H169 WeakPolarHBondContact O-CB 3.08Å; L166-H169 PolarHBondContact O-N 3.48Å; L166-Y428 HydrophobicContact CB-CD1 4.42Å; L166-Y428 HydrophobicContact CD1-CD1 3.88Å; L166-Y428 HydrophobicContact CD1-CD2 3.65Å; L166-Y428 HydrophobicContact CD1-CE1 3.87Å; L166-Y428 HydrophobicContact CD1-CE2 3.6Å; L166-Y428 HydrophobicContact CD1-CG 3.78Å; L166-Y428 HydrophobicContact CD2-CE1 4.33Å; L166-Y428 HydrophobicContact CG-CD1 3.68Å; L166-Y428 HydrophobicContact CG-CD2 4.38Å; L166-Y428 HydrophobicContact CG-CE1 3.62Å; L166-Y428 HydrophobicContact CG-CE2 4.3Å; L166-Y428 HydrophobicContact CG-CG 4.08Å |
| 167 | L | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.4 | -166 | -55 | 178.8 | 0 | 0 | 0 | 114.6 | L55 L56 F82 W105 F163 Y164 K165 T172 | L55-L167 HydrophobicContact CD1-CD1 4.01Å; L56-L167 HydrophobicContact CB-CB 4.39Å; L56-L167 HydrophobicContact CD1-CD1 4.42Å; F82-L167 HydrophobicContact CD1-CD1 4.45Å; F82-L167 HydrophobicContact CE1-CD1 3.41Å; F82-L167 VanDerWaalsContact CE1-CD1 3.41Å; F82-L167 HydrophobicContact CE2-CD1 4.03Å; F82-L167 HydrophobicContact CZ-CD1 3.16Å; W105-L167 HydrophobicContact CH2-CD2 3.67Å; W105-L167 HydrophobicContact CZ2-CD2 3.9Å; F163-L167 HydrophobicContact CD1-CD1 4.24Å; F163-L167 HydrophobicContact CE1-CD1 3.86Å; F163-L167 HydrophobicContact CE1-CD2 4.09Å; F163-L167 HydrophobicContact CE1-CG 4.35Å; F163-L167 HydrophobicContact CE2-CD2 4.46Å; F163-L167 HydrophobicContact CZ-CD1 4.5Å; F163-L167 HydrophobicContact CZ-CD2 3.88Å; Y164-L167 PolarHBondContact O-N 2.9Å; K165-L167 VanDerWaalsContact C-N 3.27Å; K165-L167 PolarHBondContact O-N 3.38Å; L167-T172 HydrophobicContact CD2-CG2 4.46Å; L167-T172 PolarHBondContact O-OG1 3.43Å |
| 168 | V | 97.7 | Very high | 97.1 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 5% | 0.048 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13 | 170.9 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | L56 P64 L166 | L56-V168 HydrophobicContact CB-CG1 4.1Å; P64-V168 HydrophobicContact CB-CG1 4.14Å; P64-V168 HydrophobicContact CG-CG1 4.49Å; L166-V168 PolarHBondContact O-N 3.4Å; L166-V168 VanDerWaalsContact O-N 3.08Å |
| 169 | H | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -79.6 | 138.4 | -173.5 | -176.8 | -96.1 | 0 | 0 | 0 | 112 | Y117 Y120 L166 S171 T172 D427 | Y117-H169 AromaticContact CD1-CE1 3.98Å; Y117-H169 AromaticContact CD2-CE1 3.68Å; Y117-H169 AromaticContact CE1-CE1 3.75Å; Y117-H169 AromaticContact CE2-CE1 3.44Å; Y117-H169 VanDerWaalsContact CE2-CE1 3.44Å; Y117-H169 WeakPolarHBondContact CE2-CE1 3.37Å; Y117-H169 AromaticContact CE2-NE2 3.59Å; Y117-H169 AromaticContact CG-CE1 3.93Å; Y117-H169 AromaticContact CZ-CE1 3.47Å; Y117-H169 VanDerWaalsContact CZ-CE1 3.47Å; Y117-H169 AromaticContact CZ-NE2 3.42Å; Y117-H169 PolarHBondContact OH-NE2 2.95Å; Y120-H169 HydrophobicContact CE1-CB 3.73Å; Y120-H169 HydrophobicContact CE2-CB 4.28Å; Y120-H169 AromaticContact CE2-CG 4Å; Y120-H169 VanDerWaalsContact CZ-CB 3.47Å; Y120-H169 AromaticContact CZ-CG 3.67Å; Y120-H169 AromaticContact CZ-ND1 3.89Å; Y120-H169 WeakPolarHBondContact OH-CB 3.4Å; L166-H169 WeakPolarHBondContact O-CB 3.08Å; L166-H169 PolarHBondContact O-N 3.48Å; H169-S171 PolarHBondContact CE1-OG 3.4Å; H169-S171 WeakPolarHBondContact ND1-CB 3.37Å; H169-S171 PolarHBondContact ND1-N 3.28Å; H169-S171 VanDerWaalsContact ND1-N 3.18Å; H169-S171 PolarHBondContact ND1-OG 3.26Å; H169-S171 PolarHBondContact O-N 3.29Å; H169-S171 VanDerWaalsContact O-N 3.09Å; H169-T172 PolarHBondContact O-N 3.06Å; H169-T172 PolarHBondContact O-OG1 3.05Å; H169-D427 HydrophobicContact CB-CB 4.45Å; H169-D427 VanDerWaalsContact CD2-CG 3.44Å; H169-D427 IonicContact CD2-OD1 3.19Å; H169-D427 PolarHBondContact CD2-OD1 3.11Å; H169-D427 VanDerWaalsContact CD2-OD1 3.23Å; H169-D427 IonicContact NE2-OD1 2.94Å; H169-D427 PolarHBondContact NE2-OD1 3.01Å |
| 170 | P | 97.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.013 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -52.1 | -32.9 | -177.8 | -33.5 | 39.5 | 0 | 0 | 0 | 116.2 | P36 I39 T172 S173 | P36-P170 WeakPolarHBondContact CB-O 3.37Å; I39-P170 HydrophobicContact CD1-CB 4.04Å; P170-T172 PolarHBondContact O-N 3.3Å; P170-S173 VanDerWaalsContact O-CB 3.3Å; P170-S173 WeakPolarHBondContact O-CB 3.44Å; P170-S173 PolarHBondContact O-N 2.9Å |
| 171 | S | 97.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -63.8 | -13.6 | 179.1 | 69.4 | 0 | 0 | 0 | 0 | 114.1 | Y120 H169 | Y120-S171 WeakPolarHBondContact CD1-OG 3.17Å; H169-S171 PolarHBondContact CE1-OG 3.4Å; H169-S171 WeakPolarHBondContact ND1-CB 3.37Å; H169-S171 PolarHBondContact ND1-N 3.28Å; H169-S171 VanDerWaalsContact ND1-N 3.18Å; H169-S171 PolarHBondContact ND1-OG 3.26Å; H169-S171 PolarHBondContact O-N 3.29Å; H169-S171 VanDerWaalsContact O-N 3.09Å |
| 172 | T | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -101.9 | -2.3 | 176 | 66.9 | 0 | 0 | 0 | 0 | 113.2 | W105 Y120 L121 L167 H169 P170 | W105-T172 PolarHBondContact NE1-O 3.26Å; Y120-T172 HydrophobicContact CD1-CG2 3.66Å; Y120-T172 HydrophobicContact CE1-CG2 3.68Å; L121-T172 HydrophobicContact CD2-CG2 4.2Å; L167-T172 HydrophobicContact CD2-CG2 4.46Å; L167-T172 PolarHBondContact O-OG1 3.43Å; H169-T172 PolarHBondContact O-N 3.06Å; H169-T172 PolarHBondContact O-OG1 3.05Å; P170-T172 PolarHBondContact O-N 3.3Å |
| 173 | S | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -68.6 | 148 | 175.5 | -69 | 0 | 0 | 0 | 0 | 111.5 | F52 G54 P170 | F52-S173 PolarHBondContact O-OG 3.14Å; G54-S173 PolarHBondContact N-OG 3.23Å; P170-S173 VanDerWaalsContact O-CB 3.3Å; P170-S173 WeakPolarHBondContact O-CB 3.44Å; P170-S173 PolarHBondContact O-N 2.9Å |
| 174 | P | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -71.6 | 151.9 | 178 | 32.5 | -34.6 | 0 | 0 | 0 | 110.7 | E53 W90 D100 F101 S104 N196 | E53-P174 WeakPolarHBondContact O-CD 3.35Å; W90-P174 HydrophobicContact CH2-CB 3.91Å; W90-P174 HydrophobicContact CH2-CG 4.04Å; W90-P174 HydrophobicContact CZ2-CB 4Å; W90-P174 HydrophobicContact CZ2-CG 4.31Å; D100-P174 HydrophobicContact CB-CB 4.24Å; F101-P174 HydrophobicContact CD1-CB 4.36Å; F101-P174 HydrophobicContact CE1-CB 4.18Å; F101-P174 HydrophobicContact CE1-CG 4.04Å; F101-P174 HydrophobicContact CE2-CB 4.36Å; F101-P174 HydrophobicContact CE2-CG 4.28Å; F101-P174 HydrophobicContact CZ-CB 4.18Å; F101-P174 HydrophobicContact CZ-CG 3.8Å; S104-P174 WeakPolarHBondContact OG-CA 3.33Å; P174-N196 WeakPolarHBondContact CG-ND2 3.49Å | ||
| 175 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -124.8 | 144.1 | 172.9 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | P36 Y103 S104 K177 I180 W187 | P36-V175 HydrophobicContact CB-CG1 4.34Å; P36-V175 HydrophobicContact CG-CG1 3.86Å; Y103-V175 HydrophobicContact CD1-CG2 4.3Å; Y103-V175 HydrophobicContact CE1-CG2 3.94Å; S104-V175 WeakPolarHBondContact OG-CG2 3.39Å; S104-V175 PolarHBondContact OG-N 3Å; V175-K177 PolarHBondContact O-N 3.01Å; V175-I180 HydrophobicContact CB-CD1 3.73Å; V175-I180 HydrophobicContact CG2-CD1 3.55Å; V175-W187 HydrophobicContact CB-CH2 4.38Å; V175-W187 HydrophobicContact CG1-CH2 4.1Å; V175-W187 HydrophobicContact CG1-CZ2 4.25Å | ||
| 176 | P | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | trans | -74.8 | 100.4 | -173.5 | 31.2 | -38.8 | 0 | 0 | 0 | 111.8 | W90 A178 A179 I180 W187 V194 | W90-P176 HydrophobicContact CE3-CB 4.27Å; W90-P176 HydrophobicContact CH2-CB 4.34Å; W90-P176 HydrophobicContact CZ3-CB 4.16Å; W90-P176 HydrophobicContact CZ3-CG 4.35Å; P176-A178 VanDerWaalsContact C-N 3.28Å; P176-A178 PolarHBondContact O-N 3.48Å; P176-A179 HydrophobicContact CB-CB 4.08Å; P176-A179 HydrophobicContact CG-CB 3.86Å; P176-A179 PolarHBondContact O-N 3.48Å; P176-I180 PolarHBondContact O-N 3.05Å; P176-I180 VanDerWaalsContact O-N 3.11Å; P176-W187 HydrophobicContact CG-CE3 4.02Å; P176-W187 HydrophobicContact CG-CZ3 3.78Å; P176-V194 HydrophobicContact CB-CB 3.96Å; P176-V194 HydrophobicContact CB-CG1 4.3Å; P176-V194 HydrophobicContact CG-CB 4.02Å; P176-V194 WeakPolarHBondContact CG-O 3.29Å | ||
| 177 | K | 97.8 | Very high | 97.4 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 40% | 0.404 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -47.4 | -49.4 | 179.8 | -179.4 | 174.8 | 177.9 | 178.9 | 0 | 112.9 | Y103 V175 A179 I180 E181 | Y103-K177 HydrophobicContact CD1-CB 3.67Å; Y103-K177 HydrophobicContact CD1-CG 4.21Å; Y103-K177 HydrophobicContact CD2-CB 4.29Å; Y103-K177 HydrophobicContact CD2-CD 3.73Å; Y103-K177 HydrophobicContact CD2-CG 3.93Å; Y103-K177 VanDerWaalsContact CE1-CA 3.47Å; Y103-K177 HydrophobicContact CE1-CB 3.59Å; Y103-K177 HydrophobicContact CE1-CG 4Å; Y103-K177 HydrophobicContact CE2-CB 4.23Å; Y103-K177 HydrophobicContact CE2-CD 3.95Å; Y103-K177 HydrophobicContact CE2-CG 3.71Å; Y103-K177 HydrophobicContact CG-CB 4.02Å; Y103-K177 HydrophobicContact CG-CD 4.04Å; Y103-K177 HydrophobicContact CG-CG 4.17Å; V175-K177 PolarHBondContact O-N 3.01Å; K177-A179 VanDerWaalsContact C-N 3.32Å; K177-A179 PolarHBondContact O-N 2.89Å; K177-I180 PolarHBondContact O-N 3.48Å; K177-E181 VanDerWaalsContact CE-CD 3.45Å; K177-E181 WeakPolarHBondContact CE-OE1 3.48Å; K177-E181 HydrophobicContact CG-CG 4.25Å; K177-E181 IonicContact NZ-OE1 3.31Å; K177-E181 WeakPolarHBondContact O-CG 3.4Å; K177-E181 PolarHBondContact O-N 3.38Å |
| 178 | A | 97.4 | Very high | 97.4 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 61% | 0.612 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.9 | -37.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P176 K182 | P176-A178 VanDerWaalsContact C-N 3.28Å; P176-A178 PolarHBondContact O-N 3.48Å; A178-K182 WeakPolarHBondContact O-CB 3.42Å; A178-K182 PolarHBondContact O-N 2.68Å |
| 179 | A | 97.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.2 | -39.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P176 K177 K182 F183 V194 | P176-A179 HydrophobicContact CB-CB 4.08Å; P176-A179 HydrophobicContact CG-CB 3.86Å; P176-A179 PolarHBondContact O-N 3.48Å; K177-A179 VanDerWaalsContact C-N 3.32Å; K177-A179 PolarHBondContact O-N 2.89Å; A179-K182 PolarHBondContact O-N 3.32Å; A179-F183 HydrophobicContact CB-CD2 4.31Å; A179-F183 WeakPolarHBondContact O-CB 3.38Å; A179-F183 VanDerWaalsContact O-CD2 3.26Å; A179-F183 WeakPolarHBondContact O-CD2 3.32Å; A179-F183 PolarHBondContact O-N 3.28Å; A179-V194 HydrophobicContact CB-CG2 4.3Å |
| 180 | I | 97.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -49.2 | 177.5 | -69 | 166.8 | 0 | 0 | 0 | 111 | Y103 V175 P176 K177 K182 F183 G184 W187 | Y103-I180 HydrophobicContact CE1-CD1 4.16Å; Y103-I180 WeakPolarHBondContact OH-CG2 3.22Å; V175-I180 HydrophobicContact CB-CD1 3.73Å; V175-I180 HydrophobicContact CG2-CD1 3.55Å; P176-I180 PolarHBondContact O-N 3.05Å; P176-I180 VanDerWaalsContact O-N 3.11Å; K177-I180 PolarHBondContact O-N 3.48Å; I180-K182 VanDerWaalsContact C-N 3.25Å; I180-K182 PolarHBondContact O-N 3.42Å; I180-F183 PolarHBondContact O-N 3.16Å; I180-G184 VanDerWaalsContact O-CA 3.31Å; I180-G184 WeakPolarHBondContact O-CA 3.44Å; I180-G184 PolarHBondContact O-N 3.04Å; I180-W187 HydrophobicContact CD1-CZ2 4.39Å; I180-W187 HydrophobicContact CG1-CB 4.33Å; I180-W187 HydrophobicContact CG1-CD2 3.78Å; I180-W187 HydrophobicContact CG1-CE3 4.4Å; I180-W187 HydrophobicContact CG1-CG 3.74Å |
| 181 | E | 97.1 | Very high | 96.6 | Very high | 135 Ų | 135 | 54.9 Ų | 54.9 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.3 | -34.9 | 179.2 | -71.7 | -179.1 | 158.6 | 0 | 0 | 111.9 | K177 | K177-E181 VanDerWaalsContact CE-CD 3.45Å; K177-E181 WeakPolarHBondContact CE-OE1 3.48Å; K177-E181 HydrophobicContact CG-CG 4.25Å; K177-E181 IonicContact NZ-OE1 3.31Å; K177-E181 WeakPolarHBondContact O-CG 3.4Å; K177-E181 PolarHBondContact O-N 3.38Å |
| 182 | K | 97.7 | Very high | 96.6 | Very high | 158 Ų | 158 | 56.7 Ų | 56.7 | 69% | 0.687 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -77.6 | -40.5 | -179.4 | -176.3 | 175.2 | 177 | -177.9 | 0 | 113.8 | A178 A179 I180 | A178-K182 WeakPolarHBondContact O-CB 3.42Å; A178-K182 PolarHBondContact O-N 2.68Å; A179-K182 PolarHBondContact O-N 3.32Å; I180-K182 VanDerWaalsContact C-N 3.25Å; I180-K182 PolarHBondContact O-N 3.42Å |
| 183 | F | 97.6 | Very high | 96.6 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -113.1 | -7 | -168.7 | -58.8 | -64.8 | 0 | 0 | 0 | 114.3 | A179 I180 E185 K186 W187 N192 | A179-F183 HydrophobicContact CB-CD2 4.31Å; A179-F183 WeakPolarHBondContact O-CB 3.38Å; A179-F183 VanDerWaalsContact O-CD2 3.26Å; A179-F183 WeakPolarHBondContact O-CD2 3.32Å; A179-F183 PolarHBondContact O-N 3.28Å; I180-F183 PolarHBondContact O-N 3.16Å; F183-E185 PolarHBondContact O-N 3.02Å; F183-K186 PolarHBondContact O-N 3.32Å; F183-K186 VanDerWaalsContact O-N 3.1Å; F183-W187 HydrophobicContact CB-CB 4.06Å; F183-N192 HydrophobicContact CD1-CB 4.39Å; F183-N192 HydrophobicContact CD2-CB 3.75Å; F183-N192 WeakPolarHBondContact CE1-OD1 3.32Å; F183-N192 HydrophobicContact CE2-CB 3.92Å; F183-N192 HydrophobicContact CG-CB 4Å; F183-N192 HydrophobicContact CZ-CB 4.29Å |
| 184 | G | 96.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 58 Ų | 58 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | 54 | -134.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | I180 K186 W187 | I180-G184 VanDerWaalsContact O-CA 3.31Å; I180-G184 WeakPolarHBondContact O-CA 3.44Å; I180-G184 PolarHBondContact O-N 3.04Å; G184-K186 PolarHBondContact O-N 2.58Å; G184-W187 WeakPolarHBondContact O-CB 3.44Å; G184-W187 PolarHBondContact O-N 3.43Å; G184-W187 VanDerWaalsContact O-N 3.12Å |
| 185 | E | 92.3 | Very high | 96.6 | Very high | 183 Ų | 183 | 58 Ų | 58 | 86% | 0.855 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -59.2 | -19.2 | 178.9 | -60.1 | -175.4 | 156.7 | 0 | 0 | 114.7 | F183 W187 | F183-E185 PolarHBondContact O-N 3.02Å; E185-W187 VanDerWaalsContact C-N 3.3Å |
| 186 | K | 95.5 | Very high | 96.6 | Very high | 145 Ų | 145 | 58.2 Ų | 58.2 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -88 | 4.6 | -179.4 | -61.9 | -179.1 | -178.6 | 175.6 | 0 | 113.3 | F183 G184 T188 Q189 N192 | F183-K186 PolarHBondContact O-N 3.32Å; F183-K186 VanDerWaalsContact O-N 3.1Å; G184-K186 PolarHBondContact O-N 2.58Å; K186-T188 PolarHBondContact O-N 2.9Å; K186-Q189 HydrophobicContact CB-CG 4.29Å; K186-Q189 WeakPolarHBondContact O-CB 3.22Å; K186-Q189 PolarHBondContact O-N 3.21Å; K186-Q189 VanDerWaalsContact O-N 3.14Å; K186-N192 PolarHBondContact O-ND2 3.25Å |
| 187 | W | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -60.4 | -26.3 | -179 | 81.1 | -92.2 | 0 | 0 | 0 | 112.9 | D35 F52 V175 P176 I180 F183 G184 E185 N192 I193 | D35-W187 HydrophobicContact CB-CZ2 3.67Å; D35-W187 VanDerWaalsContact CG-CZ2 3.46Å; D35-W187 PolarHBondContact OD2-NE1 3.03Å; F52-W187 AromaticContact CE1-CH2 3.85Å; F52-W187 HydrophobicContact CE1-CH2 3.85Å; F52-W187 AromaticContact CE1-CZ3 3.95Å; F52-W187 HydrophobicContact CE1-CZ3 3.95Å; F52-W187 HydrophobicContact CE2-CH2 4.35Å; F52-W187 AromaticContact CZ-CH2 3.48Å; F52-W187 HydrophobicContact CZ-CH2 3.48Å; F52-W187 VanDerWaalsContact CZ-CH2 3.48Å; F52-W187 AromaticContact CZ-CZ3 3.69Å; F52-W187 HydrophobicContact CZ-CZ3 3.69Å; V175-W187 HydrophobicContact CB-CH2 4.38Å; V175-W187 HydrophobicContact CG1-CH2 4.1Å; V175-W187 HydrophobicContact CG1-CZ2 4.25Å; P176-W187 HydrophobicContact CG-CE3 4.02Å; P176-W187 HydrophobicContact CG-CZ3 3.78Å; I180-W187 HydrophobicContact CD1-CZ2 4.39Å; I180-W187 HydrophobicContact CG1-CB 4.33Å; I180-W187 HydrophobicContact CG1-CD2 3.78Å; I180-W187 HydrophobicContact CG1-CE3 4.4Å; I180-W187 HydrophobicContact CG1-CG 3.74Å; F183-W187 HydrophobicContact CB-CB 4.06Å; G184-W187 WeakPolarHBondContact O-CB 3.44Å; G184-W187 PolarHBondContact O-N 3.43Å; G184-W187 VanDerWaalsContact O-N 3.12Å; E185-W187 VanDerWaalsContact C-N 3.3Å; W187-N192 CarbonylContact O-C 3.37Å; W187-I193 HydrophobicContact CE3-CG1 4.13Å; W187-I193 HydrophobicContact CZ3-CG1 3.91Å; W187-I193 WeakPolarHBondContact O-CA 3.44Å; W187-I193 VanDerWaalsContact O-CB 3.31Å; W187-I193 WeakPolarHBondContact O-CB 3.4Å; W187-I193 PolarHBondContact O-N 2.98Å |
| 188 | T | 97.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -84.8 | -2.9 | 179.3 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | L34 D35 K186 L201 | L34-T188 HydrophobicContact CB-CG2 4.12Å; D35-T188 HydrophobicContact CB-CG2 3.92Å; K186-T188 PolarHBondContact O-N 2.9Å; T188-L201 VanDerWaalsContact O-CD2 3.27Å; T188-L201 WeakPolarHBondContact O-CD2 3.09Å |
| 189 | Q | 93.8 | Very high | 96.7 | Very high | 85 Ų | 85 | 50 Ų | 50 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -71.1 | 147.5 | 178.8 | -67.7 | -66.7 | -34.3 | 0 | 0 | 111.1 | K186 G191 N192 I193 | K186-Q189 HydrophobicContact CB-CG 4.29Å; K186-Q189 WeakPolarHBondContact O-CB 3.22Å; K186-Q189 PolarHBondContact O-N 3.21Å; K186-Q189 VanDerWaalsContact O-N 3.14Å; Q189-G191 PolarHBondContact O-N 3.26Å; Q189-N192 PolarHBondContact O-N 2.99Å; Q189-I193 PolarHBondContact O-N 3Å |
| 190 | P | 92 | Very high | 96.7 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 29% | 0.292 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 131.8 | 171 | -24.4 | 32.5 | 0 | 0 | 0 | 111.2 | L201 W204 | P190-L201 HydrophobicContact CB-CD2 4.49Å; P190-L201 HydrophobicContact CG-CD2 3.8Å; P190-L201 HydrophobicContact CG-CG 4.13Å; P190-W204 HydrophobicContact CG-CB 4.11Å |
| 191 | G | 91.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 80% | 0.804 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -16.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q189 | Q189-G191 PolarHBondContact O-N 3.26Š|
| 192 | N | 97.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 23% | 0.225 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -33.2 | 173.4 | -64.9 | -20 | 0 | 0 | 0 | 112.7 | F183 K186 W187 Q189 | F183-N192 HydrophobicContact CD1-CB 4.39Å; F183-N192 HydrophobicContact CD2-CB 3.75Å; F183-N192 WeakPolarHBondContact CE1-OD1 3.32Å; F183-N192 HydrophobicContact CE2-CB 3.92Å; F183-N192 HydrophobicContact CG-CB 4Å; F183-N192 HydrophobicContact CZ-CB 4.29Å; K186-N192 PolarHBondContact O-ND2 3.25Å; W187-N192 CarbonylContact O-C 3.37Å; Q189-N192 PolarHBondContact O-N 2.99Å |
| 193 | I | 98.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 44 Ų | 44 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | trans | -69.2 | 138.4 | -172.7 | -165.2 | 176.1 | 0 | 0 | 0 | 111.8 | L51 F52 W187 Q189 T195 L201 | L51-I193 HydrophobicContact CD1-CD1 4.44Å; F52-I193 HydrophobicContact CZ-CD1 4.07Å; F52-I193 HydrophobicContact CZ-CG1 4.35Å; W187-I193 HydrophobicContact CE3-CG1 4.13Å; W187-I193 HydrophobicContact CZ3-CG1 3.91Å; W187-I193 WeakPolarHBondContact O-CA 3.44Å; W187-I193 VanDerWaalsContact O-CB 3.31Å; W187-I193 WeakPolarHBondContact O-CB 3.4Å; W187-I193 PolarHBondContact O-N 2.98Å; Q189-I193 PolarHBondContact O-N 3Å; I193-T195 HydrophobicContact CD1-CG2 4.08Å; I193-T195 HydrophobicContact CG1-CG2 3.93Å; I193-L201 HydrophobicContact CD1-CB 4.39Å; I193-L201 HydrophobicContact CD1-CD2 4.31Å; I193-L201 HydrophobicContact CG2-CB 3.66Å; I193-L201 HydrophobicContact CG2-CD2 4.03Å; I193-L201 HydrophobicContact CG2-CG 4.43Å | ||
| 194 | V | 98.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | trans | -122.6 | 130.9 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | W90 S91 D92 P176 A179 | W90-V194 HydrophobicContact CB-CG1 3.69Å; W90-V194 HydrophobicContact CD2-CG1 4.31Å; W90-V194 HydrophobicContact CE3-CG1 4.01Å; W90-V194 HydrophobicContact CG-CG1 4.23Å; S91-V194 WeakPolarHBondContact OG-CA 3.23Å; D92-V194 HydrophobicContact CB-CG1 4.27Å; D92-V194 HydrophobicContact CB-CG2 4.5Å; P176-V194 HydrophobicContact CB-CB 3.96Å; P176-V194 HydrophobicContact CB-CG1 4.3Å; P176-V194 HydrophobicContact CG-CB 4.02Å; P176-V194 WeakPolarHBondContact CG-O 3.29Å; A179-V194 HydrophobicContact CB-CG2 4.3Å | ||
| 195 | T | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -129.4 | 152.1 | -167.4 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | L51 F52 W90 S91 I193 Y199 T200 | L51-T195 HydrophobicContact CB-CG2 4.18Å; L51-T195 HydrophobicContact CD2-CG2 4.1Å; L51-T195 VanDerWaalsContact O-CB 3.25Å; L51-T195 WeakPolarHBondContact O-CB 3.4Å; F52-T195 HydrophobicContact CE1-CG2 4.26Å; F52-T195 HydrophobicContact CZ-CG2 4.27Å; W90-T195 CarbonylContact C-O 3.59Å; W90-T195 WeakPolarHBondContact CA-O 3.1Å; S91-T195 WeakPolarHBondContact CB-O 3.45Å; S91-T195 PolarHBondContact N-O 3.43Å; S91-T195 PolarHBondContact OG-N 3.39Å; I193-T195 HydrophobicContact CD1-CG2 4.08Å; I193-T195 HydrophobicContact CG1-CG2 3.93Å; T195-Y199 PolarHBondContact OG1-O 3.35Å; T195-T200 WeakPolarHBondContact OG1-CA 3.45Å; T195-T200 WeakPolarHBondContact OG1-CB 3.45Å; T195-T200 PolarHBondContact OG1-OG1 2.74Å | ||
| 196 | N | 98.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | trans | -117.7 | -2.6 | 177 | 77.1 | -38 | 0 | 0 | 0 | 113.7 | L51 F52 E53 W90 V96 P174 Y218 | L51-N196 PolarHBondContact O-N 2.85Å; F52-N196 VanDerWaalsContact CA-OD1 3.28Å; F52-N196 WeakPolarHBondContact CA-OD1 3.22Å; E53-N196 PolarHBondContact N-OD1 2.89Å; E53-N196 PolarHBondContact O-ND2 2.86Å; W90-N196 HydrophobicContact CD2-CB 4.17Å; W90-N196 HydrophobicContact CE3-CB 3.75Å; W90-N196 HydrophobicContact CH2-CB 4.47Å; W90-N196 HydrophobicContact CZ3-CB 3.92Å; V96-N196 HydrophobicContact CG2-CB 3.77Å; P174-N196 WeakPolarHBondContact CG-ND2 3.49Å; N196-Y218 WeakPolarHBondContact O-CD2 3.43Å | ||
| 197 | G | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -77.9 | -174.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L51 Y199 S215 | L51-G197 WeakPolarHBondContact O-CA 2.77Å; L51-G197 PolarHBondContact O-N 3.36Å; G197-Y199 PolarHBondContact O-N 3.32Å; G197-S215 WeakPolarHBondContact O-CB 3.2Å |
| 198 | A | 98.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -69.5 | -13.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D50 S215 Y218 R518 | D50-A198 PolarHBondContact O-N 3.31Å; A198-S215 PolarHBondContact O-N 3.01Å; A198-Y218 HydrophobicContact CB-CD1 3.63Å; A198-Y218 HydrophobicContact CB-CE1 3.67Å; A198-Y218 HydrophobicContact CB-CG 4.14Å; A198-R518 HydrophobicContact CB-CB 3.64Å; A198-R518 HydrophobicContact CB-CG 4.36Å |
| 199 | Y | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 160.7 | 179.3 | -58.5 | -93.5 | 0 | 0 | 0 | 111.8 | D50 T195 G197 L212 E213 R214 I226 V229 T517 R518 | D50-Y199 HydrophobicContact CB-CD2 3.76Å; D50-Y199 HydrophobicContact CB-CG 4.38Å; D50-Y199 PolarHBondContact O-N 3.33Å; T195-Y199 PolarHBondContact OG1-O 3.35Å; G197-Y199 PolarHBondContact O-N 3.32Å; Y199-L212 HydrophobicContact CD1-CB 4.38Å; Y199-L212 HydrophobicContact CG-CB 4.33Å; Y199-E213 CarbonylContact C-O 3.07Å; Y199-E213 WeakPolarHBondContact CA-O 3.47Å; Y199-E213 WeakPolarHBondContact CB-O 3.25Å; Y199-R214 HydrophobicContact CE1-CB 4.45Å; Y199-I226 HydrophobicContact CE1-CG2 4.33Å; Y199-I226 WeakPolarHBondContact CE1-O 3.36Å; Y199-I226 WeakPolarHBondContact OH-CB 3.3Å; Y199-I226 PolarHBondContact OH-O 3.1Å; Y199-V229 HydrophobicContact CD1-CG1 4.21Å; Y199-V229 HydrophobicContact CE1-CG1 4.32Å; Y199-T517 HydrophobicContact CE2-CG2 4.18Å; Y199-T517 WeakPolarHBondContact OH-CG2 3.37Å; Y199-T517 PolarHBondContact OH-O 3.44Å; Y199-R518 HydrophobicContact CE2-CB 4.36Å |
| 200 | T | 98 | Very high | 94.2 | Very high | 23 Ų | 23 | 36 Ų | 36 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 157.8 | 170.3 | -165.3 | 0 | 0 | 0 | 0 | 110 | T195 K202 L212 E213 | T195-T200 WeakPolarHBondContact OG1-CA 3.45Å; T195-T200 WeakPolarHBondContact OG1-CB 3.45Å; T195-T200 PolarHBondContact OG1-OG1 2.74Å; T200-K202 PolarHBondContact O-N 2.78Å; T200-L212 CarbonylContact O-C 3.5Å; T200-L212 VanDerWaalsContact O-CA 3.26Å; T200-L212 WeakPolarHBondContact O-CA 2.81Å; T200-E213 HydrophobicContact CG2-CG 3.75Å; T200-E213 PolarHBondContact N-O 2.63Å; T200-E213 PolarHBondContact O-N 3.25Å |
| 201 | L | 98.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 117.9 | -176.2 | -176.9 | 67.1 | 0 | 0 | 0 | 110.5 | L34 T188 P190 I193 W204 I210 L212 | L34-L201 HydrophobicContact CD1-CD1 4.05Å; L34-L201 HydrophobicContact CD1-CD2 3.67Å; L34-L201 HydrophobicContact CD1-CG 4.48Å; T188-L201 VanDerWaalsContact O-CD2 3.27Å; T188-L201 WeakPolarHBondContact O-CD2 3.09Å; P190-L201 HydrophobicContact CB-CD2 4.49Å; P190-L201 HydrophobicContact CG-CD2 3.8Å; P190-L201 HydrophobicContact CG-CG 4.13Å; I193-L201 HydrophobicContact CD1-CB 4.39Å; I193-L201 HydrophobicContact CD1-CD2 4.31Å; I193-L201 HydrophobicContact CG2-CB 3.66Å; I193-L201 HydrophobicContact CG2-CD2 4.03Å; I193-L201 HydrophobicContact CG2-CG 4.43Å; L201-W204 HydrophobicContact CD1-CB 4.37Å; L201-W204 HydrophobicContact CD2-CB 4.46Å; L201-I210 HydrophobicContact CD1-CG2 3.74Å; L201-L212 HydrophobicContact CD1-CD2 3.66Å |
| 202 | K | 96.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 30.7 Ų | 30.7 | 43% | 0.426 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -47.2 | 177.1 | -178.5 | -177.2 | -172.3 | 160.9 | 0 | 112.3 | T200 V211 E213 | T200-K202 PolarHBondContact O-N 2.78Å; K202-V211 HydrophobicContact CB-CB 4.47Å; K202-V211 HydrophobicContact CB-CG1 4.34Å; K202-V211 WeakPolarHBondContact CB-O 3.46Å; K202-V211 HydrophobicContact CD-CG1 3.94Å; K202-V211 PolarHBondContact N-O 3.1Å; K202-E213 HydrophobicContact CB-CB 4.38Å; K202-E213 HydrophobicContact CB-CG 4.1Å; K202-E213 HydrophobicContact CD-CB 4.36Å; K202-E213 WeakPolarHBondContact CD-OE2 3.36Å; K202-E213 IonicContact NZ-OE2 2.7Å |
| 203 | D | 95.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 32.4 Ų | 32.4 | 34% | 0.337 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 145.7 | -176.7 | -167.9 | 22.6 | 0 | 0 | 0 | 110.3 | V211 | D203-V211 HydrophobicContact CB-CB 4.18Å; D203-V211 HydrophobicContact CB-CG2 4.34Å; D203-V211 PolarHBondContact N-O 3.25Å; D203-V211 PolarHBondContact O-N 3.07Å |
| 204 | W | 95.1 | Very high | 94.8 | Very high | 39 Ų | 39 | 35 Ų | 35 | 15% | 0.148 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 109 | 173.9 | 179.3 | 13.5 | 0 | 0 | 0 | 109 | E30 V31 L34 P190 L201 I210 | E30-W204 PolarHBondContact OE1-NE1 3.09Å; V31-W204 HydrophobicContact CG2-CZ2 4.08Å; L34-W204 HydrophobicContact CD1-CD2 4.17Å; L34-W204 HydrophobicContact CD1-CE3 3.68Å; L34-W204 HydrophobicContact CD1-CZ3 3.91Å; L34-W204 HydrophobicContact CG-CE3 4.26Å; L34-W204 HydrophobicContact CG-CH2 4.28Å; L34-W204 HydrophobicContact CG-CZ3 4.03Å; P190-W204 HydrophobicContact CG-CB 4.11Å; L201-W204 HydrophobicContact CD1-CB 4.37Å; L201-W204 HydrophobicContact CD2-CB 4.46Å; W204-I210 HydrophobicContact CB-CG1 4.29Å; W204-I210 HydrophobicContact CD2-CG1 4.49Å; W204-I210 HydrophobicContact CG-CD1 4.39Å; W204-I210 HydrophobicContact CG-CG1 3.78Å |
| 205 | V | 89.2 | Confident | 94.8 | Very high | 32 Ų | 32 | 34 Ų | 34 | 19% | 0.194 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 103.6 | 174.7 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | N207 E208 R209 | V205-N207 PolarHBondContact O-N 2.94Å; V205-E208 HydrophobicContact CB-CB 4.08Å; V205-E208 HydrophobicContact CG1-CB 3.89Å; V205-E208 VanDerWaalsContact CG1-OE2 3.29Å; V205-E208 WeakPolarHBondContact CG1-OE2 3.15Å; V205-E208 PolarHBondContact O-N 3.15Å; V205-R209 PolarHBondContact N-O 3.18Å; V205-R209 PolarHBondContact O-N 3.41Å |
| 206 | V | 82.8 | Confident | 94.7 | Very high | 85 Ų | 85 | 39 Ų | 39 | 52% | 0.515 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 130.3 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | E30 E208 | E30-V206 HydrophobicContact CG-CG1 4.1Å; V206-E208 PolarHBondContact O-N 3.04Å |
| 207 | N | 82.3 | Confident | 94.7 | Very high | 112 Ų | 112 | 40.4 Ų | 40.4 | 60% | 0.599 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 14.3 | -175.3 | -63.8 | -53 | 0 | 0 | 0 | 115.4 | E30 V205 P233 | E30-N207 PolarHBondContact OE2-N 2.78Å; V205-N207 PolarHBondContact O-N 2.94Å; N207-P233 VanDerWaalsContact C-CG 3.41Å |
| 208 | E | 84 | Confident | 94.7 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -58.1 | 176.4 | -175.7 | 179.7 | 164.2 | 0 | 0 | 112.4 | V205 V206 P233 N732 | V205-E208 HydrophobicContact CB-CB 4.08Å; V205-E208 HydrophobicContact CG1-CB 3.89Å; V205-E208 VanDerWaalsContact CG1-OE2 3.29Å; V205-E208 WeakPolarHBondContact CG1-OE2 3.15Å; V205-E208 PolarHBondContact O-N 3.15Å; V206-E208 PolarHBondContact O-N 3.04Å; E208-P233 VanDerWaalsContact C-CD 3.46Å; E208-P233 WeakPolarHBondContact O-CD 3.22Å; E208-N732 WeakPolarHBondContact OE2-CB 3.41Å; E208-N732 PolarHBondContact OE2-ND2 2.92Å |
| 209 | R | 91 | Very high | 94.7 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 16% | 0.158 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 156.8 | -179.6 | 61.5 | -179.8 | 168 | -87.1 | -28 | 113.2 | V205 V211 T230 Y231 L232 N834 | V205-R209 PolarHBondContact N-O 3.18Å; V205-R209 PolarHBondContact O-N 3.41Å; R209-V211 HydrophobicContact CG-CG2 4.17Å; R209-T230 HydrophobicContact CB-CG2 3.91Å; R209-Y231 CarbonylContact C-O 3.44Å; R209-Y231 VanDerWaalsContact CA-O 3.29Å; R209-Y231 WeakPolarHBondContact CA-O 3.29Å; R209-L232 HydrophobicContact CB-CD2 3.92Å; R209-N834 PolarHBondContact NH1-OD1 2.95Å |
| 210 | I | 96.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.2 | 161.4 | -72.1 | 162.9 | 0 | 0 | 0 | 107.7 | V31 L34 I47 L201 W204 L212 T230 Y231 | V31-I210 HydrophobicContact CG2-CD1 3.71Å; L34-I210 HydrophobicContact CD2-CD1 4.23Å; I47-I210 HydrophobicContact CD1-CB 4.2Å; I47-I210 HydrophobicContact CD1-CD1 3.42Å; I47-I210 VanDerWaalsContact CD1-CD1 3.42Å; I47-I210 HydrophobicContact CD1-CG1 4.4Å; I47-I210 HydrophobicContact CD1-CG2 4.19Å; I47-I210 HydrophobicContact CG2-CG2 4.29Å; L201-I210 HydrophobicContact CD1-CG2 3.74Å; W204-I210 HydrophobicContact CB-CG1 4.29Å; W204-I210 HydrophobicContact CD2-CG1 4.49Å; W204-I210 HydrophobicContact CG-CD1 4.39Å; W204-I210 HydrophobicContact CG-CG1 3.78Å; I210-L212 HydrophobicContact CG2-CD2 3.54Å; I210-L212 HydrophobicContact CG2-CG 4.38Å; I210-T230 CarbonylContact O-C 3.54Å; I210-T230 WeakPolarHBondContact O-CA 3.4Å; I210-Y231 PolarHBondContact N-O 3.36Å; I210-Y231 PolarHBondContact O-N 3.19Å |
| 211 | V | 97.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.4 | 179.2 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | K202 D203 R209 Q228 T230 | K202-V211 HydrophobicContact CB-CB 4.47Å; K202-V211 HydrophobicContact CB-CG1 4.34Å; K202-V211 WeakPolarHBondContact CB-O 3.46Å; K202-V211 HydrophobicContact CD-CG1 3.94Å; K202-V211 PolarHBondContact N-O 3.1Å; D203-V211 HydrophobicContact CB-CB 4.18Å; D203-V211 HydrophobicContact CB-CG2 4.34Å; D203-V211 PolarHBondContact N-O 3.25Å; D203-V211 PolarHBondContact O-N 3.07Å; R209-V211 HydrophobicContact CG-CG2 4.17Å; V211-Q228 HydrophobicContact CG1-CG 3.57Å; V211-T230 HydrophobicContact CG2-CG2 4.28Å |
| 212 | L | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.5 | 174 | -40.7 | -174.4 | 0 | 0 | 0 | 109.7 | I47 D50 L51 Y199 T200 L201 I210 Q228 V229 Y231 | I47-L212 HydrophobicContact CG2-CD1 4.2Å; I47-L212 HydrophobicContact CG2-CD2 4.39Å; D50-L212 HydrophobicContact CB-CD1 3.69Å; L51-L212 HydrophobicContact CD2-CD1 3.95Å; L51-L212 HydrophobicContact CD2-CD2 3.85Å; L51-L212 HydrophobicContact CD2-CG 4.41Å; L51-L212 HydrophobicContact CG-CD1 4.2Å; L51-L212 HydrophobicContact CG-CD2 4.45Å; Y199-L212 HydrophobicContact CD1-CB 4.38Å; Y199-L212 HydrophobicContact CG-CB 4.33Å; T200-L212 CarbonylContact O-C 3.5Å; T200-L212 VanDerWaalsContact O-CA 3.26Å; T200-L212 WeakPolarHBondContact O-CA 2.81Å; L201-L212 HydrophobicContact CD1-CD2 3.66Å; I210-L212 HydrophobicContact CG2-CD2 3.54Å; I210-L212 HydrophobicContact CG2-CG 4.38Å; L212-Q228 CarbonylContact O-C 3.47Å; L212-Q228 VanDerWaalsContact O-CA 3.27Å; L212-Q228 WeakPolarHBondContact O-CA 3.33Å; L212-Q228 VanDerWaalsContact O-CG 3.25Å; L212-Q228 WeakPolarHBondContact O-CG 3.32Å; L212-V229 HydrophobicContact CB-CG1 3.76Å; L212-V229 HydrophobicContact CD1-CG1 4.03Å; L212-V229 HydrophobicContact CG-CG1 4.04Å; L212-V229 PolarHBondContact N-O 2.79Å; L212-V229 PolarHBondContact O-N 3.19Å; L212-Y231 HydrophobicContact CD1-CD2 4.27Å; L212-Y231 HydrophobicContact CD1-CE2 3.84Å; L212-Y231 HydrophobicContact CG-CD2 4.35Å; L212-Y231 HydrophobicContact CG-CE2 4.36Å |
| 213 | E | 97.7 | Very high | 94.1 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 150.5 | 173.1 | 66.4 | -174.3 | -170.3 | 0 | 0 | 111 | Y199 T200 K202 S215 N227 | Y199-E213 CarbonylContact C-O 3.07Å; Y199-E213 WeakPolarHBondContact CA-O 3.47Å; Y199-E213 WeakPolarHBondContact CB-O 3.25Å; T200-E213 HydrophobicContact CG2-CG 3.75Å; T200-E213 PolarHBondContact N-O 2.63Å; T200-E213 PolarHBondContact O-N 3.25Å; K202-E213 HydrophobicContact CB-CB 4.38Å; K202-E213 HydrophobicContact CB-CG 4.1Å; K202-E213 HydrophobicContact CD-CB 4.36Å; K202-E213 WeakPolarHBondContact CD-OE2 3.36Å; K202-E213 IonicContact NZ-OE2 2.7Å; E213-S215 PolarHBondContact O-N 3.42Å; E213-N227 WeakPolarHBondContact CA-O 3.39Å |
| 214 | R | 98 | Very high | 94.1 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 25% | 0.249 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 128.1 | -177 | 177.3 | 176.5 | 179.6 | 176.6 | 2.2 | 111.1 | Y199 P216 N221 T224 N227 | Y199-R214 HydrophobicContact CE1-CB 4.45Å; R214-P216 VanDerWaalsContact O-CD 3.28Å; R214-P216 WeakPolarHBondContact O-CD 3.38Å; R214-N221 PolarHBondContact NE-OD1 3.2Å; R214-N221 PolarHBondContact NH2-O 3.31Å; R214-N221 PolarHBondContact NH2-OD1 2.78Å; R214-T224 HydrophobicContact CG-CG2 3.95Å; R214-T224 PolarHBondContact NH1-O 3.17Å; R214-T224 PolarHBondContact NH2-O 3.05Å; R214-N227 WeakPolarHBondContact CD-OD1 3.42Å; R214-N227 PolarHBondContact N-O 3.18Å; R214-N227 PolarHBondContact NH1-OD1 2.98Å |
| 215 | S | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -81.4 | 113.8 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | G197 A198 E213 T217 Y218 | G197-S215 WeakPolarHBondContact O-CB 3.2Å; A198-S215 PolarHBondContact O-N 3.01Å; E213-S215 PolarHBondContact O-N 3.42Å; S215-T217 PolarHBondContact O-N 2.92Å; S215-T217 PolarHBondContact OG-OG1 3Å; S215-Y218 PolarHBondContact O-N 2.77Å | ||
| 216 | P | 97.5 | Very high | 94.4 | Very high | 103 Ų | 103 | 42.1 Ų | 42.1 | 67% | 0.669 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22 | -178.6 | -21.9 | 35.4 | 0 | 0 | 0 | 114 | R214 N221 | R214-P216 VanDerWaalsContact O-CD 3.28Å; R214-P216 WeakPolarHBondContact O-CD 3.38Å; P216-N221 WeakPolarHBondContact CA-ND2 3.27Å; P216-N221 PolarHBondContact O-ND2 3.36Å; P216-N221 VanDerWaalsContact O-ND2 3.15Å |
| 217 | T | 97.8 | Very high | 95.1 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 22% | 0.221 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9.8 | -176.7 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | W90 S91 S215 W219 | W90-T217 WeakPolarHBondContact O-CB 3.24Å; W90-T217 PolarHBondContact O-OG1 2.79Å; S91-T217 WeakPolarHBondContact CA-OG1 3.47Å; S215-T217 PolarHBondContact O-N 2.92Å; S215-T217 PolarHBondContact OG-OG1 3Å; T217-W219 PolarHBondContact O-N 3.39Å |
| 218 | Y | 98.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | trans | -57.2 | 131.5 | 177.2 | 178 | -124.6 | 0 | 0 | 0 | 110.6 | E53 N196 A198 S215 N220 N221 R518 | E53-Y218 VanDerWaalsContact OE2-CE2 3.3Å; E53-Y218 WeakPolarHBondContact OE2-CE2 3.39Å; E53-Y218 PolarHBondContact OE2-OH 3.07Å; N196-Y218 WeakPolarHBondContact O-CD2 3.43Å; A198-Y218 HydrophobicContact CB-CD1 3.63Å; A198-Y218 HydrophobicContact CB-CE1 3.67Å; A198-Y218 HydrophobicContact CB-CG 4.14Å; S215-Y218 PolarHBondContact O-N 2.77Å; Y218-N220 HydrophobicContact CD1-CB 4.15Å; Y218-N220 HydrophobicContact CE1-CB 3.53Å; Y218-N220 PolarHBondContact O-N 3.35Å; Y218-N220 VanDerWaalsContact O-N 3.16Å; Y218-N221 WeakPolarHBondContact O-CB 3.26Å; Y218-N221 PolarHBondContact O-N 2.89Å; Y218-R518 VanDerWaalsContact OH-CD 3.31Å; Y218-R518 WeakPolarHBondContact OH-CD 3.4Å; Y218-R518 PolarHBondContact OH-NE 3.43Å | ||
| 219 | W | 97.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 21% | 0.208 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -36.1 | -172.8 | 72.1 | -92.1 | 0 | 0 | 0 | 112.5 | E53 R85 T217 | E53-W219 PolarHBondContact OE1-NE1 3.28Å; R85-W219 VanDerWaalsContact CD-CD1 3.48Å; R85-W219 VanDerWaalsContact CD-CD2 3.43Å; R85-W219 VanDerWaalsContact CZ-CE3 3.46Å; R85-W219 VanDerWaalsContact CZ-CH2 3.5Å; R85-W219 VanDerWaalsContact CZ-CZ2 3.41Å; R85-W219 VanDerWaalsContact NE-CD2 3.34Å; R85-W219 VanDerWaalsContact NE-CE2 3.26Å; R85-W219 VanDerWaalsContact NH2-CH2 3.27Å; T217-W219 PolarHBondContact O-N 3.39Å |
| 220 | N | 96.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 8% | 0.08 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 25 | 177.6 | -155.7 | 10.2 | 0 | 0 | 0 | 112.6 | A8 Y218 A222 K223 | A8-N220 WeakPolarHBondContact CB-ND2 3.3Å; Y218-N220 HydrophobicContact CD1-CB 4.15Å; Y218-N220 HydrophobicContact CE1-CB 3.53Å; Y218-N220 PolarHBondContact O-N 3.35Å; Y218-N220 VanDerWaalsContact O-N 3.16Å; N220-A222 PolarHBondContact O-N 3.49Å; N220-K223 PolarHBondContact O-N 3.18Å; N220-K223 VanDerWaalsContact O-N 3.09Å; N220-K223 WeakPolarHBondContact OD1-CD 3.37Å; N220-K223 WeakPolarHBondContact OD1-CG 3.38Å |
| 221 | N | 96.5 | Very high | 97 | Very high | 35 Ų | 35 | 35 Ų | 35 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -55.2 | -36.1 | 179.5 | 177.9 | 33.4 | 0 | 0 | 0 | 111.3 | R214 P216 Y218 K223 T224 | R214-N221 PolarHBondContact NE-OD1 3.2Å; R214-N221 PolarHBondContact NH2-O 3.31Å; R214-N221 PolarHBondContact NH2-OD1 2.78Å; P216-N221 WeakPolarHBondContact CA-ND2 3.27Å; P216-N221 PolarHBondContact O-ND2 3.36Å; P216-N221 VanDerWaalsContact O-ND2 3.15Å; Y218-N221 WeakPolarHBondContact O-CB 3.26Å; Y218-N221 PolarHBondContact O-N 2.89Å; N221-K223 PolarHBondContact O-N 3.08Å; N221-T224 WeakPolarHBondContact O-CB 3.25Å; N221-T224 PolarHBondContact O-N 3.37Å |
| 222 | A | 94.1 | Very high | 96.9 | Very high | 99 Ų | 99 | 34.7 Ų | 34.7 | 82% | 0.818 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -54.7 | -28.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | N220 | N220-A222 PolarHBondContact O-N 3.49Š|
| 223 | K | 92.7 | Very high | 96.7 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -93.8 | -8.7 | 176.7 | -68.2 | -164.4 | 175.5 | -157.1 | 0 | 114.6 | L7 A8 D10 N220 N221 | L7-K223 WeakPolarHBondContact O-CD 3.39Å; L7-K223 PolarHBondContact O-NZ 3.42Å; A8-K223 HydrophobicContact CB-CB 4.08Å; A8-K223 HydrophobicContact CB-CD 4.12Å; D10-K223 IonicContact OD1-NZ 2.68Å; D10-K223 PolarHBondContact OD1-NZ 3.44Å; D10-K223 IonicContact OD2-NZ 3.32Å; N220-K223 PolarHBondContact O-N 3.18Å; N220-K223 VanDerWaalsContact O-N 3.09Å; N220-K223 WeakPolarHBondContact OD1-CD 3.37Å; N220-K223 WeakPolarHBondContact OD1-CG 3.38Å; N221-K223 PolarHBondContact O-N 3.08Å |
| 224 | T | 95 | Very high | 96.4 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | trans | -73.6 | 132.6 | 178.1 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | R214 N221 R518 | R214-T224 HydrophobicContact CG-CG2 3.95Å; R214-T224 PolarHBondContact NH1-O 3.17Å; R214-T224 PolarHBondContact NH2-O 3.05Å; N221-T224 WeakPolarHBondContact O-CB 3.25Å; N221-T224 PolarHBondContact O-N 3.37Å; T224-R518 HydrophobicContact CG2-CB 4.44Å | ||
| 225 | V | 94.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 12% | 0.115 | 18% | 0.182 | C | C | . | . | trans | -110 | -47.9 | -176.2 | -173 | 0 | 0 | 0 | 0 | 111.9 | A9 V11 L17 Q21 N227 R521 | A9-V225 HydrophobicContact CB-CG2 4.08Å; V11-V225 HydrophobicContact CG2-CG2 4.07Å; L17-V225 HydrophobicContact CD1-CG1 3.93Å; L17-V225 HydrophobicContact CD2-CG1 4.32Å; Q21-V225 VanDerWaalsContact CB-O 3.31Å; Q21-V225 WeakPolarHBondContact CB-O 3.46Å; Q21-V225 HydrophobicContact CG-CG1 4.06Å; V225-N227 PolarHBondContact O-N 2.56Å; V225-R521 HydrophobicContact CB-CB 4.24Å; V225-R521 HydrophobicContact CG1-CB 4.03Å | ||
| 226 | I | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -64.4 | 128 | 175.2 | -63.2 | -64.4 | 0 | 0 | 0 | 109.9 | Q21 L23 Y199 Q228 T517 I520 | Q21-I226 HydrophobicContact CB-CD1 4.34Å; L23-I226 HydrophobicContact CB-CD1 4.26Å; L23-I226 HydrophobicContact CB-CG2 4.11Å; Y199-I226 HydrophobicContact CE1-CG2 4.33Å; Y199-I226 WeakPolarHBondContact CE1-O 3.36Å; Y199-I226 WeakPolarHBondContact OH-CB 3.3Å; Y199-I226 PolarHBondContact OH-O 3.1Å; I226-Q228 WeakPolarHBondContact CG2-O 3.49Å; I226-T517 HydrophobicContact CB-CG2 4.09Å; I226-T517 HydrophobicContact CG1-CG2 4.3Å; I226-T517 HydrophobicContact CG2-CG2 3.9Å; I226-I520 HydrophobicContact CG1-CB 4.3Å; I226-I520 HydrophobicContact CG1-CG2 4.23Å; I226-I520 WeakPolarHBondContact CG1-O 3.36Å | ||
| 227 | N | 97.2 | Very high | 95.9 | Very high | 80 Ų | 80 | 27 Ų | 27 | 43% | 0.428 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -92.6 | -26.7 | -179.4 | -68.9 | -37.3 | 0 | 0 | 0 | 112.4 | Q21 E213 R214 V225 | Q21-N227 PolarHBondContact O-N 3.06Å; E213-N227 WeakPolarHBondContact CA-O 3.39Å; R214-N227 WeakPolarHBondContact CD-OD1 3.42Å; R214-N227 PolarHBondContact N-O 3.18Å; R214-N227 PolarHBondContact NH1-OD1 2.98Å; V225-N227 PolarHBondContact O-N 2.56Å |
| 228 | Q | 98 | Very high | 95.6 | Very high | 37 Ų | 37 | 25.6 Ų | 25.6 | 17% | 0.173 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 137.7 | 177.7 | -168.2 | -174.9 | -89.1 | 0 | 0 | 110.2 | T22 L23 V211 L212 I226 | T22-Q228 VanDerWaalsContact CA-O 3.31Å; T22-Q228 WeakPolarHBondContact CA-O 2.82Å; T22-Q228 HydrophobicContact CG2-CB 4.1Å; L23-Q228 PolarHBondContact N-O 2.87Å; V211-Q228 HydrophobicContact CG1-CG 3.57Å; L212-Q228 CarbonylContact O-C 3.47Å; L212-Q228 VanDerWaalsContact O-CA 3.27Å; L212-Q228 WeakPolarHBondContact O-CA 3.33Å; L212-Q228 VanDerWaalsContact O-CG 3.25Å; L212-Q228 WeakPolarHBondContact O-CG 3.32Å; I226-Q228 WeakPolarHBondContact CG2-O 3.49Å |
| 229 | V | 98 | Very high | 95 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135.6 | 170.4 | 58.5 | 0 | 0 | 0 | 0 | 110.7 | L23 R25 Y199 L212 Y231 T517 | L23-V229 HydrophobicContact CB-CB 4.42Å; L23-V229 HydrophobicContact CB-CG2 4.17Å; L23-V229 HydrophobicContact CD2-CG2 4.09Å; L23-V229 HydrophobicContact CG-CG2 4.33Å; L23-V229 CarbonylContact O-C 3.59Å; L23-V229 VanDerWaalsContact O-CA 3.27Å; L23-V229 WeakPolarHBondContact O-CA 3.42Å; R25-V229 HydrophobicContact CG-CG2 4.23Å; Y199-V229 HydrophobicContact CD1-CG1 4.21Å; Y199-V229 HydrophobicContact CE1-CG1 4.32Å; L212-V229 HydrophobicContact CB-CG1 3.76Å; L212-V229 HydrophobicContact CD1-CG1 4.03Å; L212-V229 HydrophobicContact CG-CG1 4.04Å; L212-V229 PolarHBondContact N-O 2.79Å; L212-V229 PolarHBondContact O-N 3.19Å; V229-Y231 HydrophobicContact CG1-CE2 3.93Å; V229-Y231 HydrophobicContact CG2-CD2 4.28Å; V229-Y231 HydrophobicContact CG2-CE2 3.89Å; V229-T517 HydrophobicContact CB-CG2 3.89Å; V229-T517 HydrophobicContact CG1-CG2 4.14Å; V229-T517 HydrophobicContact CG2-CG2 4.08Å |
| 230 | T | 97.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.3 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | L23 V24 R25 R209 I210 V211 L232 | L23-T230 PolarHBondContact O-N 2.88Å; V24-T230 WeakPolarHBondContact CA-O 3.31Å; R25-T230 PolarHBondContact N-O 3.24Å; R209-T230 HydrophobicContact CB-CG2 3.91Å; I210-T230 CarbonylContact O-C 3.54Å; I210-T230 WeakPolarHBondContact O-CA 3.4Å; V211-T230 HydrophobicContact CG2-CG2 4.28Å; T230-L232 HydrophobicContact CG2-CD2 3.8Å |
| 231 | Y | 98.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.1 | 171.3 | -73 | -84.4 | 0 | 0 | 0 | 109.9 | R25 N27 N46 I47 D50 R209 I210 L212 V229 T517 | R25-Y231 HydrophobicContact CB-CD1 4.09Å; R25-Y231 HydrophobicContact CB-CE1 4.16Å; R25-Y231 PolarHBondContact NH1-OH 3.25Å; R25-Y231 CarbonylContact O-C 3.56Å; R25-Y231 WeakPolarHBondContact O-CA 3.35Å; N27-Y231 HydrophobicContact CB-CD1 3.96Å; N46-Y231 HydrophobicContact CB-CE1 4.24Å; N46-Y231 PolarHBondContact O-OH 3.1Å; I47-Y231 HydrophobicContact CD1-CD2 4.26Å; I47-Y231 HydrophobicContact CD1-CG 3.98Å; I47-Y231 HydrophobicContact CG1-CD1 4.03Å; I47-Y231 HydrophobicContact CG1-CD2 3.92Å; I47-Y231 HydrophobicContact CG1-CE1 4.31Å; I47-Y231 HydrophobicContact CG1-CE2 4.21Å; I47-Y231 HydrophobicContact CG1-CG 3.82Å; D50-Y231 PolarHBondContact OD2-OH 3.36Å; R209-Y231 CarbonylContact C-O 3.44Å; R209-Y231 VanDerWaalsContact CA-O 3.29Å; R209-Y231 WeakPolarHBondContact CA-O 3.29Å; I210-Y231 PolarHBondContact N-O 3.36Å; I210-Y231 PolarHBondContact O-N 3.19Å; L212-Y231 HydrophobicContact CD1-CD2 4.27Å; L212-Y231 HydrophobicContact CD1-CE2 3.84Å; L212-Y231 HydrophobicContact CG-CD2 4.35Å; L212-Y231 HydrophobicContact CG-CE2 4.36Å; V229-Y231 HydrophobicContact CG1-CE2 3.93Å; V229-Y231 HydrophobicContact CG2-CD2 4.28Å; V229-Y231 HydrophobicContact CG2-CE2 3.89Å; Y231-T517 PolarHBondContact OH-OG1 3.31Å |
| 232 | L | 96.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 143.1 | 177.4 | -56.1 | -179.5 | 0 | 0 | 0 | 111 | V24 R25 N26 N27 R209 T230 I234 I249 | V24-L232 HydrophobicContact CG1-CD1 3.78Å; V24-L232 HydrophobicContact CG1-CG 4.03Å; R25-L232 PolarHBondContact O-N 2.91Å; N26-L232 PolarHBondContact OD1-O 3.07Å; N27-L232 WeakPolarHBondContact CA-O 3.45Å; N27-L232 WeakPolarHBondContact CB-O 3.43Å; N27-L232 PolarHBondContact N-O 2.99Å; R209-L232 HydrophobicContact CB-CD2 3.92Å; T230-L232 HydrophobicContact CG2-CD2 3.8Å; L232-I234 HydrophobicContact CB-CD1 4.07Å; L232-I234 HydrophobicContact CB-CG1 4.13Å; L232-I234 HydrophobicContact CD1-CD1 3.94Å; L232-I234 PolarHBondContact O-N 3.31Å; L232-I249 HydrophobicContact CD1-CD1 3.73Å; L232-I249 HydrophobicContact CD1-CG1 3.74Å |
| 233 | P | 94.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 19.7 Ų | 19.7 | 14% | 0.136 | 11% | 0.105 | C | C | . | . | trans | -96 | 44.1 | -178.9 | 36.2 | -33.3 | 0 | 0 | 0 | 112.8 | S29 E30 N207 E208 A235 | S29-P233 WeakPolarHBondContact O-CA 3.48Å; S29-P233 WeakPolarHBondContact O-CB 3.35Å; E30-P233 HydrophobicContact CB-CB 4.2Å; E30-P233 VanDerWaalsContact N-CB 3.29Å; N207-P233 VanDerWaalsContact C-CG 3.41Å; E208-P233 VanDerWaalsContact C-CD 3.46Å; E208-P233 WeakPolarHBondContact O-CD 3.22Å; P233-A235 PolarHBondContact O-N 3.41Å | ||
| 234 | I | 91.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 16.4 Ų | 16.4 | 6% | 0.062 | 9% | 0.091 | C | C | . | . | trans | -84.9 | 110 | -173.4 | -57.7 | 166.3 | 0 | 0 | 0 | 110.3 | N26 G28 L232 T239 R243 I249 | N26-I234 PolarHBondContact ND2-O 3.48Å; N26-I234 WeakPolarHBondContact OD1-CA 3.09Å; N26-I234 VanDerWaalsContact OD1-CB 3.26Å; N26-I234 WeakPolarHBondContact OD1-CB 3.28Å; N26-I234 PolarHBondContact OD1-N 3.01Å; N26-I234 PolarHBondContact OD1-O 2.95Å; G28-I234 WeakPolarHBondContact CA-O 3.39Å; G28-I234 CarbonylContact O-C 3.55Å; L232-I234 HydrophobicContact CB-CD1 4.07Å; L232-I234 HydrophobicContact CB-CG1 4.13Å; L232-I234 HydrophobicContact CD1-CD1 3.94Å; L232-I234 PolarHBondContact O-N 3.31Å; I234-T239 HydrophobicContact CD1-CG2 4.1Å; I234-T239 HydrophobicContact CG2-CG2 3.4Å; I234-R243 HydrophobicContact CD1-CG 4.01Å; I234-I249 HydrophobicContact CD1-CD1 3.82Å | ||
| 235 | A | 93.7 | Very high | 92.5 | Very high | 29 Ų | 29 | 20.8 Ų | 20.8 | 24% | 0.24 | 11% | 0.107 | C | C | . | . | trans | -85 | -13.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | G28 P233 T375 S376 | G28-A235 WeakPolarHBondContact O-CA 3.34Å; G28-A235 WeakPolarHBondContact O-CB 3.11Å; G28-A235 PolarHBondContact O-N 2.86Å; P233-A235 PolarHBondContact O-N 3.41Å; A235-T375 WeakPolarHBondContact CB-O 3.38Å; A235-S376 WeakPolarHBondContact O-CA 3.28Å | ||
| 236 | S | 92.7 | Very high | 91.6 | Very high | 17 Ų | 17 | 22 Ų | 22 | 12% | 0.119 | 12% | 0.116 | C | C | . | . | trans | -86.5 | 110.1 | 174.4 | 167.6 | 0 | 0 | 0 | 0 | 109.6 | V238 T239 D240 D377 | S236-V238 PolarHBondContact O-N 2.94Å; S236-T239 VanDerWaalsContact O-CB 3.27Å; S236-T239 WeakPolarHBondContact O-CB 3.35Å; S236-T239 PolarHBondContact O-N 2.57Å; S236-T239 VanDerWaalsContact O-N 3.16Å; S236-T239 PolarHBondContact OG-N 3.5Å; S236-T239 PolarHBondContact OG-OG1 2.81Å; S236-T239 VanDerWaalsContact OG-OG1 3.13Å; S236-D240 PolarHBondContact O-N 3.25Å; S236-D377 VanDerWaalsContact C-OD2 3.31Å; S236-D377 WeakPolarHBondContact CA-OD2 3.25Å; S236-D377 VanDerWaalsContact CB-OD2 3.3Å; S236-D377 WeakPolarHBondContact CB-OD2 3.16Å; S236-D377 PolarHBondContact OG-OD2 2.86Å | ||
| 237 | E | 95.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.9 | -31.1 | 177.2 | -64.4 | 84.1 | 176.6 | 0 | 0 | 112.4 | T239 D240 V241 N255 P257 S376 D377 L378 | E237-T239 VanDerWaalsContact C-N 3.32Å; E237-D240 PolarHBondContact O-N 3.27Å; E237-V241 WeakPolarHBondContact O-CG2 3.49Å; E237-V241 PolarHBondContact O-N 3.02Å; E237-N255 HydrophobicContact CG-CB 3.5Å; E237-N255 VanDerWaalsContact CG-CB 3.5Å; E237-N255 WeakPolarHBondContact CG-O 3.26Å; E237-N255 WeakPolarHBondContact OE1-CB 3.35Å; E237-N255 PolarHBondContact OE1-ND2 2.83Å; E237-P257 HydrophobicContact CB-CB 3.89Å; E237-P257 HydrophobicContact CB-CG 4.22Å; E237-S376 VanDerWaalsContact CD-OG 3.28Å; E237-S376 WeakPolarHBondContact OE1-CB 3.21Å; E237-S376 PolarHBondContact OE1-OG 2.76Å; E237-S376 PolarHBondContact OE2-OG 2.49Å; E237-D377 PolarHBondContact N-OD2 2.86Å; E237-D377 VanDerWaalsContact N-OD2 3.08Å; E237-D377 WeakPolarHBondContact OE2-CA 3.01Å; E237-D377 VanDerWaalsContact OE2-CB 3.28Å; E237-D377 WeakPolarHBondContact OE2-CB 3.35Å; E237-D377 PolarHBondContact OE2-N 2.88Å; E237-L378 HydrophobicContact CG-CB 4.42Å; E237-L378 PolarHBondContact OE2-N 3.34Å; E237-L378 VanDerWaalsContact OE2-N 3.07Å |
| 238 | V | 91.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | S236 N242 P257 L260 D377 E840 | S236-V238 PolarHBondContact O-N 2.94Å; V238-N242 VanDerWaalsContact O-CG 3.29Å; V238-N242 PolarHBondContact O-N 3.37Å; V238-N242 VanDerWaalsContact O-N 3.14Å; V238-N242 PolarHBondContact O-ND2 2.9Å; V238-P257 HydrophobicContact CG2-CB 3.67Å; V238-P257 HydrophobicContact CG2-CG 4.45Å; V238-L260 HydrophobicContact CG1-CD1 4.31Å; V238-D377 HydrophobicContact CG2-CB 4.45Å; V238-D377 PolarHBondContact N-OD2 3.39Å; V238-E840 HydrophobicContact CG1-CB 3.93Å |
| 239 | T | 85.2 | Confident | 89.7 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59 | -53.6 | 171.9 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | I234 S236 E237 V241 N242 R243 E837 K838 | I234-T239 HydrophobicContact CD1-CG2 4.1Å; I234-T239 HydrophobicContact CG2-CG2 3.4Å; S236-T239 VanDerWaalsContact O-CB 3.27Å; S236-T239 WeakPolarHBondContact O-CB 3.35Å; S236-T239 PolarHBondContact O-N 2.57Å; S236-T239 VanDerWaalsContact O-N 3.16Å; S236-T239 PolarHBondContact OG-N 3.5Å; S236-T239 PolarHBondContact OG-OG1 2.81Å; S236-T239 VanDerWaalsContact OG-OG1 3.13Å; E237-T239 VanDerWaalsContact C-N 3.32Å; T239-V241 PolarHBondContact O-N 2.81Å; T239-N242 CarbonylContact O-C 3.57Å; T239-N242 WeakPolarHBondContact O-CA 3.43Å; T239-N242 WeakPolarHBondContact O-CB 3.43Å; T239-N242 PolarHBondContact O-N 3.43Å; T239-R243 HydrophobicContact CG2-CG 3.51Å; T239-R243 WeakPolarHBondContact O-CG 3.42Å; T239-R243 PolarHBondContact O-N 3.04Å; T239-E837 WeakPolarHBondContact CB-OE1 3.25Å; T239-E837 HydrophobicContact CG2-CB 4.35Å; T239-E837 HydrophobicContact CG2-CG 2.9Å; T239-E837 WeakPolarHBondContact CG2-OE1 3.3Å; T239-E837 WeakPolarHBondContact OG1-CG 3.49Å; T239-E837 PolarHBondContact OG1-OE1 2.84Å; T239-K838 VanDerWaalsContact OG1-CE 3.24Å; T239-K838 WeakPolarHBondContact OG1-CE 3.18Å; T239-K838 VanDerWaalsContact OG1-CG 3.22Å; T239-K838 WeakPolarHBondContact OG1-CG 3.4Å |
| 240 | D | 91.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -53.8 | -46.1 | -168.2 | -175.3 | 6.8 | 0 | 0 | 0 | 109.2 | N26 S236 E237 N242 R243 Y244 I249 T252 Y253 | N26-D240 VanDerWaalsContact CB-CG 3.47Å; N26-D240 WeakPolarHBondContact CB-OD1 3.43Å; N26-D240 WeakPolarHBondContact CB-OD2 3.18Å; N26-D240 PolarHBondContact ND2-OD2 3.24Å; S236-D240 PolarHBondContact O-N 3.25Å; E237-D240 PolarHBondContact O-N 3.27Å; D240-N242 PolarHBondContact O-N 3.22Å; D240-R243 PolarHBondContact O-N 3.09Å; D240-Y244 VanDerWaalsContact O-CB 3.23Å; D240-Y244 WeakPolarHBondContact O-CB 3.39Å; D240-Y244 PolarHBondContact O-N 3.19Å; D240-I249 WeakPolarHBondContact OD1-CD1 3.17Å; D240-T252 WeakPolarHBondContact OD1-CA 3.16Å; D240-T252 WeakPolarHBondContact OD1-CG2 3.42Å; D240-T252 WeakPolarHBondContact OD2-CA 3.18Å; D240-T252 VanDerWaalsContact OD2-CB 3.28Å; D240-T252 WeakPolarHBondContact OD2-CB 3.42Å; D240-Y253 PolarHBondContact OD2-N 3.41Å |
| 241 | V | 90.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 171.2 | 172.3 | 0 | 0 | 0 | 0 | 112.9 | E237 T239 Y244 R245 M256 P257 L260 L264 L498 | E237-V241 WeakPolarHBondContact O-CG2 3.49Å; E237-V241 PolarHBondContact O-N 3.02Å; T239-V241 PolarHBondContact O-N 2.81Å; V241-Y244 WeakPolarHBondContact O-CB 3.45Å; V241-Y244 PolarHBondContact O-N 2.67Å; V241-R245 HydrophobicContact CG1-CG 4.38Å; V241-R245 WeakPolarHBondContact O-CB 3.45Å; V241-R245 VanDerWaalsContact O-CG 3.28Å; V241-R245 WeakPolarHBondContact O-CG 3.45Å; V241-R245 PolarHBondContact O-N 2.8Å; V241-M256 HydrophobicContact CG2-CE 3.98Å; V241-P257 HydrophobicContact CB-CG 4.44Å; V241-P257 HydrophobicContact CG2-CG 3.7Å; V241-L260 HydrophobicContact CB-CD1 4.05Å; V241-L260 HydrophobicContact CG1-CD1 3.7Å; V241-L264 HydrophobicContact CG1-CD1 3.75Å; V241-L264 HydrophobicContact CG1-CD2 3.71Å; V241-L264 HydrophobicContact CG1-CG 4.28Å; V241-L264 HydrophobicContact CG2-CD1 3.9Å; V241-L498 HydrophobicContact CG1-CD1 4.25Å; V241-L498 HydrophobicContact CG2-CD1 4.08Å |
| 242 | N | 83.5 | Confident | 89.7 | Confident | 41 Ų | 41 | 19.3 Ų | 19.3 | 22% | 0.219 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 179.9 | -74.8 | -25.8 | 0 | 0 | 0 | 112.7 | V238 T239 D240 R245 S246 | V238-N242 VanDerWaalsContact O-CG 3.29Å; V238-N242 PolarHBondContact O-N 3.37Å; V238-N242 VanDerWaalsContact O-N 3.14Å; V238-N242 PolarHBondContact O-ND2 2.9Å; T239-N242 CarbonylContact O-C 3.57Å; T239-N242 WeakPolarHBondContact O-CA 3.43Å; T239-N242 WeakPolarHBondContact O-CB 3.43Å; T239-N242 PolarHBondContact O-N 3.43Å; D240-N242 PolarHBondContact O-N 3.22Å; N242-R245 PolarHBondContact O-N 3.03Å; N242-S246 PolarHBondContact O-N 2.67Å |
| 243 | R | 83.3 | Confident | 89.7 | Confident | 39 Ų | 39 | 20.6 Ų | 20.6 | 15% | 0.147 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 174 | -61.6 | -114.5 | 178.3 | 149.4 | 6.9 | 111.4 | I234 T239 D240 S246 G247 E248 I249 S836 E837 | I234-R243 HydrophobicContact CD1-CG 4.01Å; T239-R243 HydrophobicContact CG2-CG 3.51Å; T239-R243 WeakPolarHBondContact O-CG 3.42Å; T239-R243 PolarHBondContact O-N 3.04Å; D240-R243 PolarHBondContact O-N 3.09Å; R243-S246 PolarHBondContact O-N 2.87Å; R243-S246 PolarHBondContact O-OG 3.25Å; R243-G247 PolarHBondContact O-N 3.18Å; R243-E248 HydrophobicContact CB-CB 4.38Å; R243-E248 WeakPolarHBondContact CD-OE1 3.44Å; R243-E248 IonicContact CZ-OE1 3.11Å; R243-E248 IonicContact NE-OE1 3.71Å; R243-E248 IonicContact NH1-OE1 2.73Å; R243-E248 PolarHBondContact NH1-OE1 3.05Å; R243-E248 PolarHBondContact O-N 2.79Å; R243-I249 HydrophobicContact CB-CB 4.49Å; R243-I249 HydrophobicContact CB-CD1 3.4Å; R243-I249 HydrophobicContact CB-CG1 3.73Å; R243-I249 HydrophobicContact CG-CD1 4.01Å; R243-I249 PolarHBondContact O-N 3.06Å; R243-S836 WeakPolarHBondContact CA-OG 3.44Å; R243-S836 WeakPolarHBondContact CD-O 3.31Å; R243-S836 WeakPolarHBondContact CG-O 3.39Å; R243-S836 PolarHBondContact NE-O 3.37Å; R243-E837 HydrophobicContact CG-CG 4.4Å; R243-E837 IonicContact CZ-OE2 2.68Å; R243-E837 VanDerWaalsContact NE-CG 3.31Å; R243-E837 VanDerWaalsContact NH2-CD 3.3Å; R243-E837 IonicContact NH2-OE2 2.85Å; R243-E837 PolarHBondContact NH2-OE2 3.33Å |
| 244 | Y | 89.7 | Confident | 89.9 | Confident | 1 Ų | 1 | 20 Ų | 20 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 174 | 173.7 | -84.1 | 0 | 0 | 0 | 111.1 | D240 V241 S246 G247 I249 D250 T252 I268 E271 L498 V499 K500 | D240-Y244 VanDerWaalsContact O-CB 3.23Å; D240-Y244 WeakPolarHBondContact O-CB 3.39Å; D240-Y244 PolarHBondContact O-N 3.19Å; V241-Y244 WeakPolarHBondContact O-CB 3.45Å; V241-Y244 PolarHBondContact O-N 2.67Å; Y244-S246 VanDerWaalsContact C-N 3.31Å; Y244-S246 PolarHBondContact O-N 3.11Å; Y244-G247 PolarHBondContact O-N 3.22Å; Y244-I249 HydrophobicContact CD2-CG2 4.48Å; Y244-I249 VanDerWaalsContact CD2-O 3.28Å; Y244-I249 WeakPolarHBondContact CD2-O 3.39Å; Y244-D250 WeakPolarHBondContact CE2-O 3.47Å; Y244-T252 HydrophobicContact CD2-CG2 3.81Å; Y244-T252 HydrophobicContact CG-CG2 3.88Å; Y244-I268 HydrophobicContact CE1-CD1 4.09Å; Y244-E271 WeakPolarHBondContact CE1-OE2 3.45Å; Y244-E271 VanDerWaalsContact CZ-OE2 3.26Å; Y244-E271 WeakPolarHBondContact OH-CB 3.49Å; Y244-E271 PolarHBondContact OH-OE2 3.21Å; Y244-L498 HydrophobicContact CD1-CB 4.03Å; Y244-L498 HydrophobicContact CD1-CD1 3.5Å; Y244-L498 VanDerWaalsContact CD1-CD1 3.5Å; Y244-L498 HydrophobicContact CD1-CG 4.42Å; Y244-L498 HydrophobicContact CD2-CB 3.95Å; Y244-L498 HydrophobicContact CE1-CB 3.72Å; Y244-L498 HydrophobicContact CE1-CD1 3.74Å; Y244-L498 HydrophobicContact CE1-CG 4.34Å; Y244-L498 HydrophobicContact CE2-CB 3.57Å; Y244-L498 HydrophobicContact CG-CB 4.15Å; Y244-L498 HydrophobicContact CG-CD1 4.01Å; Y244-L498 VanDerWaalsContact CZ-CB 3.46Å; Y244-V499 PolarHBondContact OH-O 3.19Å; Y244-K500 HydrophobicContact CD2-CG 4.4Å; Y244-K500 HydrophobicContact CE1-CD 4.06Å; Y244-K500 HydrophobicContact CE2-CD 3.81Å; Y244-K500 HydrophobicContact CE2-CG 3.65Å; Y244-K500 WeakPolarHBondContact O-CE 3.43Å; Y244-K500 PolarHBondContact O-NZ 3.25Å; Y244-K500 VanDerWaalsContact OH-CA 3.28Å; Y244-K500 WeakPolarHBondContact OH-CA 3.27Å; Y244-K500 WeakPolarHBondContact OH-CD 3.47Å; Y244-K500 PolarHBondContact OH-N 3.23Å; Y244-K500 VanDerWaalsContact OH-N 3.1Å |
| 245 | R | 82.8 | Confident | 90.1 | Very high | 97 Ų | 97 | 20.2 Ų | 20.2 | 37% | 0.366 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -66 | -32.3 | 179.7 | -74.1 | -169.6 | 72.6 | 158.9 | 13.2 | 113 | V241 N242 G247 E267 | V241-R245 HydrophobicContact CG1-CG 4.38Å; V241-R245 WeakPolarHBondContact O-CB 3.45Å; V241-R245 VanDerWaalsContact O-CG 3.28Å; V241-R245 WeakPolarHBondContact O-CG 3.45Å; V241-R245 PolarHBondContact O-N 2.8Å; N242-R245 PolarHBondContact O-N 3.03Å; R245-G247 PolarHBondContact O-N 3.15Å; R245-E267 IonicContact CZ-OE2 2.88Å; R245-E267 IonicContact NH1-OE2 2.74Å; R245-E267 PolarHBondContact NH1-OE2 3.36Å; R245-E267 IonicContact NH2-OE2 3.71Å; R245-E267 PolarHBondContact NH2-OE2 2.95Å |
| 246 | S | 76 | Confident | 90.3 | Very high | 43 Ų | 43 | 18.9 Ų | 18.9 | 30% | 0.301 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -6.9 | 173.5 | 78.6 | 0 | 0 | 0 | 0 | 113.7 | N242 R243 Y244 S836 | N242-S246 PolarHBondContact O-N 2.67Å; R243-S246 PolarHBondContact O-N 2.87Å; R243-S246 PolarHBondContact O-OG 3.25Å; Y244-S246 VanDerWaalsContact C-N 3.31Å; Y244-S246 PolarHBondContact O-N 3.11Å; S246-S836 VanDerWaalsContact OG-CB 3.3Å; S246-S836 WeakPolarHBondContact OG-CB 3.38Å; S246-S836 PolarHBondContact OG-OG 2.68Å |
| 247 | G | 80.3 | Confident | 90.5 | Very high | 35 Ų | 35 | 18 Ų | 18 | 36% | 0.361 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 11.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | R243 Y244 R245 | R243-G247 PolarHBondContact O-N 3.18Å; Y244-G247 PolarHBondContact O-N 3.22Å; R245-G247 PolarHBondContact O-N 3.15Å |
| 248 | E | 80.4 | Confident | 90.3 | Very high | 24 Ų | 24 | 19.3 Ų | 19.3 | 11% | 0.112 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -77.8 | -32 | 175 | -174.2 | -179 | 126.7 | 0 | 0 | 111.7 | V24 R243 F835 S836 | V24-E248 WeakPolarHBondContact CB-O 3.29Å; V24-E248 WeakPolarHBondContact CG1-O 3.11Å; R243-E248 HydrophobicContact CB-CB 4.38Å; R243-E248 WeakPolarHBondContact CD-OE1 3.44Å; R243-E248 IonicContact CZ-OE1 3.11Å; R243-E248 IonicContact NE-OE1 3.71Å; R243-E248 IonicContact NH1-OE1 2.73Å; R243-E248 PolarHBondContact NH1-OE1 3.05Å; R243-E248 PolarHBondContact O-N 2.79Å; E248-F835 VanDerWaalsContact OE2-C 3.31Å; E248-F835 PolarHBondContact OE2-N 2.66Å; E248-S836 PolarHBondContact OE2-N 2.89Å; E248-S836 PolarHBondContact OE2-OG 3.2Å |
| 249 | I | 90.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -115.8 | 133.8 | -176.9 | -60.2 | 180 | 0 | 0 | 0 | 110.1 | V24 N26 L232 I234 D240 R243 Y244 M251 K500 | V24-I249 HydrophobicContact CG1-CG1 4.2Å; N26-I249 HydrophobicContact CB-CD1 4.16Å; L232-I249 HydrophobicContact CD1-CD1 3.73Å; L232-I249 HydrophobicContact CD1-CG1 3.74Å; I234-I249 HydrophobicContact CD1-CD1 3.82Å; D240-I249 WeakPolarHBondContact OD1-CD1 3.17Å; R243-I249 HydrophobicContact CB-CB 4.49Å; R243-I249 HydrophobicContact CB-CD1 3.4Å; R243-I249 HydrophobicContact CB-CG1 3.73Å; R243-I249 HydrophobicContact CG-CD1 4.01Å; R243-I249 PolarHBondContact O-N 3.06Å; Y244-I249 HydrophobicContact CD2-CG2 4.48Å; Y244-I249 VanDerWaalsContact CD2-O 3.28Å; Y244-I249 WeakPolarHBondContact CD2-O 3.39Å; I249-M251 WeakPolarHBondContact CG2-O 3.45Å; I249-K500 WeakPolarHBondContact O-CE 3.48Å | ||
| 250 | D | 96.1 | Very high | 90.5 | Very high | 12 Ų | 12 | 22.7 Ų | 22.7 | 6% | 0.064 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -91.3 | -31.6 | 178.3 | -63.6 | -61.1 | 0 | 0 | 0 | 113 | L23 V24 Y244 K500 W502 V503 H522 | L23-D250 HydrophobicContact CD1-CB 3.58Å; V24-D250 PolarHBondContact N-OD2 2.76Å; V24-D250 WeakPolarHBondContact O-CA 3.39Å; V24-D250 WeakPolarHBondContact O-CB 3.28Å; V24-D250 PolarHBondContact O-N 2.74Å; Y244-D250 WeakPolarHBondContact CE2-O 3.47Å; D250-K500 HydrophobicContact CB-CG 4.45Å; D250-K500 WeakPolarHBondContact O-CG 3.4Å; D250-K500 PolarHBondContact O-N 2.56Å; D250-W502 PolarHBondContact OD1-NE1 3.03Å; D250-V503 HydrophobicContact CB-CG2 3.91Å; D250-H522 IonicContact OD1-CE1 3.49Å; D250-H522 IonicContact OD2-CE1 2.69Å; D250-H522 IonicContact OD2-NE2 3.29Å |
| 251 | M | 98 | Very high | 90.7 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -138.5 | 121.7 | 176.4 | -60 | 177.3 | 72.6 | 0 | 0 | 109.9 | L23 V24 R25 N26 I249 L498 V499 V503 Y506 | L23-M251 HydrophobicContact CD1-CG 4.39Å; L23-M251 HydrophobicContact CD1-SD 4.31Å; L23-M251 HydrophobicContact CD2-SD 4.28Å; V24-M251 PolarHBondContact O-N 3.01Å; R25-M251 WeakPolarHBondContact CA-O 3.43Å; R25-M251 HydrophobicContact CG-CB 4.28Å; R25-M251 HydrophobicContact CG-SD 4.41Å; N26-M251 PolarHBondContact N-O 3.15Å; I249-M251 WeakPolarHBondContact CG2-O 3.45Å; M251-L498 WeakPolarHBondContact CA-O 3.31Å; M251-V499 HydrophobicContact CE-CG2 3.94Å; M251-V499 HydrophobicContact CG-CG1 4.18Å; M251-V499 HydrophobicContact CG-CG2 4.31Å; M251-V503 HydrophobicContact CG-CG1 4.23Å; M251-V503 HydrophobicContact CG-CG2 4.47Å; M251-V503 HydrophobicContact SD-CG1 3.95Å; M251-Y506 HydrophobicContact CE-CD2 4.07Å; M251-Y506 HydrophobicContact CE-CG 4.12Å |
| 252 | T | 98.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | trans | -68.9 | 165.5 | 172.8 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | D240 Y244 L498 | D240-T252 WeakPolarHBondContact OD1-CA 3.16Å; D240-T252 WeakPolarHBondContact OD1-CG2 3.42Å; D240-T252 WeakPolarHBondContact OD2-CA 3.18Å; D240-T252 VanDerWaalsContact OD2-CB 3.28Å; D240-T252 WeakPolarHBondContact OD2-CB 3.42Å; Y244-T252 HydrophobicContact CD2-CG2 3.81Å; Y244-T252 HydrophobicContact CG-CG2 3.88Å; T252-L498 HydrophobicContact CG2-CB 3.73Å; T252-L498 HydrophobicContact CG2-CD1 4Å; T252-L498 HydrophobicContact CG2-CG 3.96Å; T252-L498 PolarHBondContact N-O 2.98Å; T252-L498 PolarHBondContact OG1-N 3.12Å | ||
| 253 | Y | 98 | Very high | 91.1 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 13% | 0.129 | 15% | 0.146 | C | C | . | . | trans | -66.2 | 164.3 | 160.6 | -171.6 | -119.3 | 0 | 0 | 0 | 109.4 | V42 D240 N255 | V42-Y253 HydrophobicContact CG1-CE2 4.27Å; D240-Y253 PolarHBondContact OD2-N 3.41Å; Y253-N255 HydrophobicContact CD1-CB 4.01Å; Y253-N255 HydrophobicContact CE1-CB 4.33Å; Y253-N255 PolarHBondContact O-N 3.33Å | ||
| 254 | N | 97.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -87.5 | 22.9 | -175.2 | 62.1 | -5.4 | 0 | 0 | 0 | 114.7 | Y277 N495 A496 R497 | N254-Y277 WeakPolarHBondContact ND2-CE1 3.32Å; N254-Y277 PolarHBondContact ND2-OH 2.87Å; N254-N495 WeakPolarHBondContact CB-OD1 3.45Å; N254-A496 CarbonylContact C-O 3.56Å; N254-A496 VanDerWaalsContact CA-O 3.23Å; N254-A496 WeakPolarHBondContact CA-O 3.5Å; N254-R497 HydrophobicContact CB-CB 4.5Å |
| 255 | N | 97 | Very high | 91.6 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | trans | -107.5 | 122.2 | 164.6 | -76.4 | -14.6 | 0 | 0 | 0 | 108.8 | E237 Y253 L378 | E237-N255 HydrophobicContact CG-CB 3.5Å; E237-N255 VanDerWaalsContact CG-CB 3.5Å; E237-N255 WeakPolarHBondContact CG-O 3.26Å; E237-N255 WeakPolarHBondContact OE1-CB 3.35Å; E237-N255 PolarHBondContact OE1-ND2 2.83Å; Y253-N255 HydrophobicContact CD1-CB 4.01Å; Y253-N255 HydrophobicContact CE1-CB 4.33Å; Y253-N255 PolarHBondContact O-N 3.33Å; N255-L378 HydrophobicContact CB-CD2 4.02Å | ||
| 256 | M | 97.7 | Very high | 92 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -101.9 | 139.5 | 178.5 | -66.8 | -58.5 | -66.8 | 0 | 0 | 111.7 | V241 F261 L264 Q317 A496 L498 | V241-M256 HydrophobicContact CG2-CE 3.98Å; M256-F261 HydrophobicContact CB-CD2 3.65Å; M256-F261 HydrophobicContact CB-CE2 4.26Å; M256-F261 HydrophobicContact CB-CG 4.49Å; M256-F261 HydrophobicContact CE-CD2 4.19Å; M256-F261 HydrophobicContact CG-CD2 3.86Å; M256-F261 HydrophobicContact CG-CE2 4.08Å; M256-L264 HydrophobicContact CE-CD1 3.41Å; M256-L264 VanDerWaalsContact CE-CD1 3.41Å; M256-Q317 PolarHBondContact O-NE2 2.98Å; M256-A496 HydrophobicContact CG-CB 3.76Å; M256-A496 WeakPolarHBondContact CG-O 3.34Å; M256-L498 HydrophobicContact CE-CD1 4.15Å; M256-L498 HydrophobicContact CE-CD2 3.63Å; M256-L498 HydrophobicContact CE-CG 3.67Å; M256-L498 HydrophobicContact SD-CG 4.2Å | ||
| 257 | P | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -71.6 | 133.5 | 177.9 | 30 | -32.1 | 0 | 0 | 0 | 110.4 | E237 V238 V241 E259 L260 F261 | E237-P257 HydrophobicContact CB-CB 3.89Å; E237-P257 HydrophobicContact CB-CG 4.22Å; V238-P257 HydrophobicContact CG2-CB 3.67Å; V238-P257 HydrophobicContact CG2-CG 4.45Å; V241-P257 HydrophobicContact CB-CG 4.44Å; V241-P257 HydrophobicContact CG2-CG 3.7Å; P257-E259 PolarHBondContact O-N 2.96Å; P257-L260 HydrophobicContact CG-CB 3.96Å; P257-L260 HydrophobicContact CG-CD1 4.05Å; P257-L260 HydrophobicContact CG-CG 4.13Å; P257-L260 PolarHBondContact O-N 2.79Å; P257-F261 WeakPolarHBondContact O-CB 3.19Å; P257-F261 PolarHBondContact O-N 2.96Å; P257-F261 VanDerWaalsContact O-N 3.09Å | ||
| 258 | I | 93.3 | Very high | 92.9 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 17% | 0.174 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.7 | -39.8 | -178.1 | -69.1 | 174.1 | 0 | 0 | 0 | 111 | L260 V314 L378 K381 L382 | I258-L260 PolarHBondContact O-N 3.19Å; I258-V314 HydrophobicContact CD1-CG1 4.09Å; I258-V314 WeakPolarHBondContact CG2-O 3.29Å; I258-L378 HydrophobicContact CD1-CD1 3.97Å; I258-L378 HydrophobicContact CG1-CD1 3.84Å; I258-K381 HydrophobicContact CB-CD 4.47Å; I258-K381 HydrophobicContact CD1-CB 3.9Å; I258-K381 HydrophobicContact CD1-CD 4.3Å; I258-L382 HydrophobicContact CD1-CD2 4.27Å |
| 259 | E | 89.9 | Confident | 93.5 | Very high | 63 Ų | 63 | 38.6 Ų | 38.6 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.4 | -33.4 | -173.5 | -54.8 | 83.6 | -90.9 | 0 | 0 | 113.5 | P257 K381 G843 | P257-E259 PolarHBondContact O-N 2.96Å; E259-K381 VanDerWaalsContact CG-NZ 3.3Å; E259-K381 VanDerWaalsContact OE1-CD 3.27Å; E259-K381 WeakPolarHBondContact OE1-CD 3.4Å; E259-K381 WeakPolarHBondContact OE1-CE 3.24Å; E259-K381 IonicContact OE1-NZ 3.45Å; E259-K381 PolarHBondContact OE1-NZ 3.23Å; E259-K381 WeakPolarHBondContact OE2-CE 3.34Å; E259-K381 IonicContact OE2-NZ 3.29Å; E259-K381 PolarHBondContact OE2-NZ 2.88Å; E259-K381 VanDerWaalsContact OE2-NZ 3.11Å; E259-G843 PolarHBondContact OE2-N 2.61Å |
| 260 | L | 90.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -102.5 | -22.4 | -173.2 | -50.7 | 178.1 | 0 | 0 | 0 | 112.2 | V238 V241 P257 I258 Q262 K263 L264 | V238-L260 HydrophobicContact CG1-CD1 4.31Å; V241-L260 HydrophobicContact CB-CD1 4.05Å; V241-L260 HydrophobicContact CG1-CD1 3.7Å; P257-L260 HydrophobicContact CG-CB 3.96Å; P257-L260 HydrophobicContact CG-CD1 4.05Å; P257-L260 HydrophobicContact CG-CG 4.13Å; P257-L260 PolarHBondContact O-N 2.79Å; I258-L260 PolarHBondContact O-N 3.19Å; L260-Q262 PolarHBondContact O-N 3.19Å; L260-K263 CarbonylContact O-C 3.53Å; L260-K263 WeakPolarHBondContact O-CA 3.46Å; L260-K263 WeakPolarHBondContact O-CB 3.4Å; L260-K263 PolarHBondContact O-N 3.12Å; L260-L264 HydrophobicContact CB-CD1 3.87Å; L260-L264 HydrophobicContact CB-CG 4.17Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.48Å; L260-L264 PolarHBondContact O-N 3.42Å |
| 261 | F | 94.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.1 | -48.4 | -171.3 | -174.2 | -102.2 | 0 | 0 | 0 | 114.1 | M256 P257 K263 L264 K265 V272 V274 Q317 A496 | M256-F261 HydrophobicContact CB-CD2 3.65Å; M256-F261 HydrophobicContact CB-CE2 4.26Å; M256-F261 HydrophobicContact CB-CG 4.49Å; M256-F261 HydrophobicContact CE-CD2 4.19Å; M256-F261 HydrophobicContact CG-CD2 3.86Å; M256-F261 HydrophobicContact CG-CE2 4.08Å; P257-F261 WeakPolarHBondContact O-CB 3.19Å; P257-F261 PolarHBondContact O-N 2.96Å; P257-F261 VanDerWaalsContact O-N 3.09Å; F261-K263 VanDerWaalsContact C-N 3.31Å; F261-K263 PolarHBondContact O-N 3.43Å; F261-L264 PolarHBondContact O-N 3.15Å; F261-K265 HydrophobicContact CD1-CD 4.15Å; F261-K265 HydrophobicContact CE1-CD 3.52Å; F261-K265 HydrophobicContact CE1-CG 4.2Å; F261-K265 HydrophobicContact CZ-CD 3.85Å; F261-K265 HydrophobicContact CZ-CG 4.31Å; F261-K265 PolarHBondContact O-N 3.06Å; F261-V272 HydrophobicContact CE2-CG1 4.03Å; F261-V272 HydrophobicContact CZ-CG1 4.49Å; F261-V274 HydrophobicContact CE2-CG2 4.24Å; F261-V274 HydrophobicContact CZ-CG2 3.85Å; F261-Q317 HydrophobicContact CB-CG 4.3Å; F261-Q317 HydrophobicContact CD1-CB 4.12Å; F261-Q317 HydrophobicContact CD1-CG 3.6Å; F261-Q317 HydrophobicContact CD2-CG 4.16Å; F261-Q317 HydrophobicContact CE1-CB 3.79Å; F261-Q317 HydrophobicContact CE1-CG 3.82Å; F261-Q317 HydrophobicContact CE2-CB 4.39Å; F261-Q317 HydrophobicContact CE2-CG 4.36Å; F261-Q317 HydrophobicContact CG-CG 3.75Å; F261-Q317 HydrophobicContact CZ-CB 3.91Å; F261-Q317 HydrophobicContact CZ-CG 4.17Å; F261-A496 HydrophobicContact CE2-CB 4.03Å |
| 262 | Q | 93.9 | Very high | 93.4 | Very high | 91 Ų | 91 | 47.6 Ų | 47.6 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.2 | -31.6 | 178.8 | -63 | -59 | -30.2 | 0 | 0 | 112.8 | L260 K266 A316 | L260-Q262 PolarHBondContact O-N 3.19Å; Q262-K266 WeakPolarHBondContact O-CG 3.26Å; Q262-A316 PolarHBondContact NE2-O 2.77Å |
| 263 | K | 89.5 | Confident | 93.3 | Very high | 92 Ų | 92 | 49.7 Ų | 49.7 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.5 | -44.2 | 174.4 | -178.6 | 179.2 | 177.8 | -178.4 | 0 | 110.6 | L260 F261 K266 E267 | L260-K263 CarbonylContact O-C 3.53Å; L260-K263 WeakPolarHBondContact O-CA 3.46Å; L260-K263 WeakPolarHBondContact O-CB 3.4Å; L260-K263 PolarHBondContact O-N 3.12Å; F261-K263 VanDerWaalsContact C-N 3.31Å; F261-K263 PolarHBondContact O-N 3.43Å; K263-K266 WeakPolarHBondContact O-CB 3.24Å; K263-K266 PolarHBondContact O-N 3.48Å; K263-K266 VanDerWaalsContact O-N 3.08Å; K263-E267 WeakPolarHBondContact CE-OE1 3.23Å; K263-E267 HydrophobicContact CG-CG 4.26Å; K263-E267 VanDerWaalsContact CG-OE1 3.28Å; K263-E267 WeakPolarHBondContact CG-OE1 3.08Å; K263-E267 WeakPolarHBondContact O-CG 3.46Å; K263-E267 PolarHBondContact O-N 3.3Å |
| 264 | L | 91.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.7 | -65.2 | 163.8 | 0 | 0 | 0 | 111.8 | V241 M256 L260 F261 K266 E267 I268 V272 L498 | V241-L264 HydrophobicContact CG1-CD1 3.75Å; V241-L264 HydrophobicContact CG1-CD2 3.71Å; V241-L264 HydrophobicContact CG1-CG 4.28Å; V241-L264 HydrophobicContact CG2-CD1 3.9Å; M256-L264 HydrophobicContact CE-CD1 3.41Å; M256-L264 VanDerWaalsContact CE-CD1 3.41Å; L260-L264 HydrophobicContact CB-CD1 3.87Å; L260-L264 HydrophobicContact CB-CG 4.17Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.48Å; L260-L264 PolarHBondContact O-N 3.42Å; F261-L264 PolarHBondContact O-N 3.15Å; L264-K266 PolarHBondContact O-N 3.24Å; L264-K266 VanDerWaalsContact O-N 3.16Å; L264-E267 PolarHBondContact O-N 2.86Å; L264-I268 HydrophobicContact CB-CG1 4.41Å; L264-I268 HydrophobicContact CD2-CD1 3.92Å; L264-I268 HydrophobicContact CD2-CG1 4.29Å; L264-I268 CarbonylContact O-C 3.52Å; L264-I268 WeakPolarHBondContact O-CG1 3.44Å; L264-I268 PolarHBondContact O-N 2.85Å; L264-V272 HydrophobicContact CB-CG2 4.1Å; L264-L498 HydrophobicContact CD1-CD1 4.18Å; L264-L498 HydrophobicContact CD1-CD2 4.39Å; L264-L498 HydrophobicContact CD2-CD1 4.19Å |
| 265 | K | 92.5 | Very high | 93.2 | Very high | 105 Ų | 105 | 51.7 Ų | 51.7 | 46% | 0.457 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.1 | -28.6 | 173.8 | -77.1 | -169.7 | 68.8 | 170.6 | 0 | 113.5 | F261 P269 V272 | F261-K265 HydrophobicContact CD1-CD 4.15Å; F261-K265 HydrophobicContact CE1-CD 3.52Å; F261-K265 HydrophobicContact CE1-CG 4.2Å; F261-K265 HydrophobicContact CZ-CD 3.85Å; F261-K265 HydrophobicContact CZ-CG 4.31Å; F261-K265 PolarHBondContact O-N 3.06Å; K265-P269 WeakPolarHBondContact O-CB 3.47Å; K265-V272 HydrophobicContact CG-CB 4.44Å; K265-V272 HydrophobicContact CG-CG1 3.94Å; K265-V272 HydrophobicContact CG-CG2 4.43Å |
| 266 | K | 91.5 | Very high | 93 | Very high | 173 Ų | 173 | 55.1 Ų | 55.1 | 75% | 0.752 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -86.1 | -39.2 | 177 | -68.3 | 175.9 | -177.7 | -179.4 | 0 | 112.4 | Q262 K263 L264 | Q262-K266 WeakPolarHBondContact O-CG 3.26Å; K263-K266 WeakPolarHBondContact O-CB 3.24Å; K263-K266 PolarHBondContact O-N 3.48Å; K263-K266 VanDerWaalsContact O-N 3.08Å; L264-K266 PolarHBondContact O-N 3.24Å; L264-K266 VanDerWaalsContact O-N 3.16Å |
| 267 | E | 87 | Confident | 93 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -83.4 | -38.2 | -172.4 | -71.8 | -176.6 | -174.4 | 0 | 0 | 113.9 | R245 K263 L264 R535 | R245-E267 IonicContact CZ-OE2 2.88Å; R245-E267 IonicContact NH1-OE2 2.74Å; R245-E267 PolarHBondContact NH1-OE2 3.36Å; R245-E267 IonicContact NH2-OE2 3.71Å; R245-E267 PolarHBondContact NH2-OE2 2.95Å; K263-E267 WeakPolarHBondContact CE-OE1 3.23Å; K263-E267 HydrophobicContact CG-CG 4.26Å; K263-E267 VanDerWaalsContact CG-OE1 3.28Å; K263-E267 WeakPolarHBondContact CG-OE1 3.08Å; K263-E267 WeakPolarHBondContact O-CG 3.46Å; K263-E267 PolarHBondContact O-N 3.3Å; L264-E267 PolarHBondContact O-N 2.86Å; E267-R535 PolarHBondContact O-NH1 2.99Å; E267-R535 PolarHBondContact O-NH2 3.21Å; E267-R535 VanDerWaalsContact O-NH2 3.09Å |
| 268 | I | 88.7 | Confident | 93.2 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | trans | -137.2 | 53.4 | -175 | 55 | 168.6 | 0 | 0 | 0 | 112.1 | Y244 L264 D270 E271 V272 L498 | Y244-I268 HydrophobicContact CE1-CD1 4.09Å; L264-I268 HydrophobicContact CB-CG1 4.41Å; L264-I268 HydrophobicContact CD2-CD1 3.92Å; L264-I268 HydrophobicContact CD2-CG1 4.29Å; L264-I268 CarbonylContact O-C 3.52Å; L264-I268 WeakPolarHBondContact O-CG1 3.44Å; L264-I268 PolarHBondContact O-N 2.85Å; I268-D270 VanDerWaalsContact C-N 3.27Å; I268-D270 PolarHBondContact O-N 3.45Å; I268-D270 VanDerWaalsContact O-N 3.14Å; I268-E271 HydrophobicContact CB-CB 4.12Å; I268-E271 HydrophobicContact CB-CG 4.26Å; I268-E271 HydrophobicContact CD1-CB 4.1Å; I268-E271 HydrophobicContact CG1-CB 4.37Å; I268-E271 WeakPolarHBondContact O-CB 3.38Å; I268-E271 PolarHBondContact O-N 3.32Å; I268-V272 HydrophobicContact CG1-CG2 4.36Å; I268-V272 PolarHBondContact O-N 3.36Å; I268-L498 HydrophobicContact CD1-CD1 4.2Å; I268-L498 HydrophobicContact CD1-CD2 4.23Å | ||
| 269 | P | 91.5 | Very high | 93.4 | Very high | 73 Ų | 73 | 54 Ų | 54 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -53.6 | -38.9 | -172.9 | 20.9 | -33.4 | 0 | 0 | 0 | 114.3 | K265 E271 V272 | K265-P269 WeakPolarHBondContact O-CB 3.47Å; P269-E271 PolarHBondContact O-N 3.17Å; P269-V272 PolarHBondContact O-N 2.84Å |
| 270 | D | 91.3 | Very high | 93.9 | Very high | 148 Ų | 148 | 51 Ų | 51 | 79% | 0.791 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -70.2 | -15.4 | -178.5 | -57.9 | -25 | 0 | 0 | 0 | 113.5 | I268 | I268-D270 VanDerWaalsContact C-N 3.27Å; I268-D270 PolarHBondContact O-N 3.45Å; I268-D270 VanDerWaalsContact O-N 3.14Å |
| 271 | E | 95.7 | Very high | 94.3 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -96.9 | -15.3 | 178.5 | -62.8 | -180 | -140.5 | 0 | 0 | 111.8 | Y244 I268 P269 H273 L498 V499 P501 | Y244-E271 WeakPolarHBondContact CE1-OE2 3.45Å; Y244-E271 VanDerWaalsContact CZ-OE2 3.26Å; Y244-E271 WeakPolarHBondContact OH-CB 3.49Å; Y244-E271 PolarHBondContact OH-OE2 3.21Å; I268-E271 HydrophobicContact CB-CB 4.12Å; I268-E271 HydrophobicContact CB-CG 4.26Å; I268-E271 HydrophobicContact CD1-CB 4.1Å; I268-E271 HydrophobicContact CG1-CB 4.37Å; I268-E271 WeakPolarHBondContact O-CB 3.38Å; I268-E271 PolarHBondContact O-N 3.32Å; P269-E271 PolarHBondContact O-N 3.17Å; E271-H273 PolarHBondContact O-CD2 3.26Å; E271-H273 PolarHBondContact O-N 3.26Å; E271-L498 VanDerWaalsContact O-CA 3.26Å; E271-L498 WeakPolarHBondContact O-CA 3.38Å; E271-V499 PolarHBondContact O-N 3.19Å; E271-P501 HydrophobicContact CG-CG 3.7Å |
| 272 | V | 96.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 101.6 | -179.3 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | F261 L264 K265 I268 P269 V274 L498 | F261-V272 HydrophobicContact CE2-CG1 4.03Å; F261-V272 HydrophobicContact CZ-CG1 4.49Å; L264-V272 HydrophobicContact CB-CG2 4.1Å; K265-V272 HydrophobicContact CG-CB 4.44Å; K265-V272 HydrophobicContact CG-CG1 3.94Å; K265-V272 HydrophobicContact CG-CG2 4.43Å; I268-V272 HydrophobicContact CG1-CG2 4.36Å; I268-V272 PolarHBondContact O-N 3.36Å; P269-V272 PolarHBondContact O-N 2.84Å; V272-V274 HydrophobicContact CG1-CG2 4.06Å; V272-L498 HydrophobicContact CB-CD2 4.28Å; V272-L498 HydrophobicContact CG1-CD2 4.5Å; V272-L498 HydrophobicContact CG2-CD2 3.63Å |
| 273 | H | 97.2 | Very high | 94.7 | Very high | 51 Ų | 51 | 46 Ų | 46 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134.1 | 173.7 | -69.6 | -97.5 | 0 | 0 | 0 | 110.1 | E271 A496 R497 Y506 | E271-H273 PolarHBondContact O-CD2 3.26Å; E271-H273 PolarHBondContact O-N 3.26Å; H273-A496 CarbonylContact O-C 3.56Å; H273-A496 VanDerWaalsContact O-CA 3.26Å; H273-A496 WeakPolarHBondContact O-CA 3.36Å; H273-R497 HydrophobicContact CB-CG 4.12Å; H273-R497 PolarHBondContact N-O 3.19Å; H273-R497 PolarHBondContact O-N 3.24Å; H273-Y506 HydrophobicContact CB-CE1 3.89Å; H273-Y506 AromaticContact CG-CE1 3.7Å; H273-Y506 AromaticContact ND1-CD1 3.95Å; H273-Y506 AromaticContact ND1-CE1 3.69Å |
| 274 | V | 96.8 | Very high | 95.1 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 96.9 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | F261 V272 V494 N495 A496 | F261-V274 HydrophobicContact CE2-CG2 4.24Å; F261-V274 HydrophobicContact CZ-CG2 3.85Å; V272-V274 HydrophobicContact CG1-CG2 4.06Å; V274-V494 HydrophobicContact CG1-CB 3.76Å; V274-V494 HydrophobicContact CG1-CG1 4.2Å; V274-V494 HydrophobicContact CG1-CG2 3.71Å; V274-N495 WeakPolarHBondContact CA-O 3.24Å; V274-A496 HydrophobicContact CG2-CB 4.31Å |
| 275 | D | 95.5 | Very high | 95.5 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 157.6 | -171.5 | -53.5 | -65.4 | 0 | 0 | 0 | 111.6 | Y277 V494 N495 Y506 G508 | D275-Y277 PolarHBondContact O-N 3.05Å; D275-V494 CarbonylContact O-C 3.18Å; D275-V494 WeakPolarHBondContact O-CA 3.48Å; D275-N495 PolarHBondContact N-O 2.77Å; D275-N495 VanDerWaalsContact N-O 3.07Å; D275-N495 PolarHBondContact O-N 3.33Å; D275-Y506 PolarHBondContact OD2-OH 2.92Å; D275-G508 WeakPolarHBondContact CB-O 3.46Å; D275-G508 VanDerWaalsContact CG-CA 3.45Å; D275-G508 VanDerWaalsContact CG-O 3.29Å; D275-G508 VanDerWaalsContact OD2-CA 3.25Å; D275-G508 WeakPolarHBondContact OD2-CA 3.45Å |
| 276 | P | 94.2 | Very high | 95.8 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 57% | 0.565 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 137.2 | 173.1 | -23.6 | 34.5 | 0 | 0 | 0 | 111.6 | ||
| 277 | Y | 98.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 126.6 | -179.3 | -162 | -160.6 | 0 | 0 | 0 | 110.5 | N254 D275 C279 Y329 Y493 N495 P511 D513 | N254-Y277 WeakPolarHBondContact ND2-CE1 3.32Å; N254-Y277 PolarHBondContact ND2-OH 2.87Å; D275-Y277 PolarHBondContact O-N 3.05Å; Y277-C279 HydrophobicContact CD1-CB 4.24Å; Y277-C279 WeakPolarHBondContact CD1-SG 3.49Å; Y277-C279 HydrophobicContact CE1-CB 4.37Å; Y277-C279 WeakPolarHBondContact CE1-SG 3.3Å; Y277-C279 WeakPolarHBondContact CE2-SG 3.07Å; Y277-C279 PolarHBondContact O-N 2.68Å; Y277-Y329 WeakPolarHBondContact O-CE2 3.13Å; Y277-Y329 PolarHBondContact O-OH 2.76Å; Y277-Y493 HydrophobicContact CD1-CG 4.47Å; Y277-N495 HydrophobicContact CD1-CB 3.97Å; Y277-N495 HydrophobicContact CD2-CB 4.35Å; Y277-N495 HydrophobicContact CG-CB 3.8Å; Y277-P511 WeakPolarHBondContact CD2-O 3.43Å; Y277-D513 HydrophobicContact CD2-CB 4.12Å; Y277-D513 HydrophobicContact CE2-CB 3.57Å |
| 278 | L | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 67.8 | 178.1 | -71.7 | 171.3 | 0 | 0 | 0 | 110.1 | P327 Y329 T330 C425 A426 N429 F434 P511 L512 | L278-P327 HydrophobicContact CD2-CB 4.06Å; L278-P327 HydrophobicContact CD2-CG 4.35Å; L278-Y329 HydrophobicContact CD2-CD2 3.52Å; L278-Y329 HydrophobicContact CD2-CE2 3.56Å; L278-Y329 HydrophobicContact CG-CD2 4.44Å; L278-Y329 HydrophobicContact CG-CE2 4.25Å; L278-T330 WeakPolarHBondContact CD2-OG1 3.46Å; L278-C425 CarbonylContact O-C 3.57Å; L278-C425 WeakPolarHBondContact O-CA 3.43Å; L278-A426 HydrophobicContact CB-CB 3.9Å; L278-A426 PolarHBondContact O-N 3.28Å; L278-N429 HydrophobicContact CD1-CB 4.1Å; L278-N429 VanDerWaalsContact CD1-CG 3.46Å; L278-N429 VanDerWaalsContact CD1-OD1 3.23Å; L278-N429 WeakPolarHBondContact CD1-OD1 3.45Å; L278-F434 WeakPolarHBondContact O-CZ 3.33Å; L278-P511 HydrophobicContact CD1-CB 3.8Å; L278-P511 HydrophobicContact CD1-CG 4.01Å; L278-P511 HydrophobicContact CG-CB 3.95Å; L278-P511 PolarHBondContact N-O 3.47Å; L278-L512 HydrophobicContact CB-CD2 4.21Å; L278-L512 HydrophobicContact CD1-CD2 3.78Å |
| 279 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.3 | 171.2 | -46.3 | 0 | 0 | 0 | 0 | 111.4 | Y277 W424 C425 Y492 Y493 | Y277-C279 HydrophobicContact CD1-CB 4.24Å; Y277-C279 WeakPolarHBondContact CD1-SG 3.49Å; Y277-C279 HydrophobicContact CE1-CB 4.37Å; Y277-C279 WeakPolarHBondContact CE1-SG 3.3Å; Y277-C279 WeakPolarHBondContact CE2-SG 3.07Å; Y277-C279 PolarHBondContact O-N 2.68Å; C279-W424 CarbonylContact C-O 3.58Å; C279-W424 WeakPolarHBondContact CA-O 3.34Å; C279-W424 VanDerWaalsContact CB-O 3.23Å; C279-W424 WeakPolarHBondContact CB-O 3.35Å; C279-C425 HydrophobicContact CB-CB 4Å; C279-C425 WeakPolarHBondContact CB-SG 3.31Å; C279-C425 WeakPolarHBondContact SG-CA 3.47Å; C279-C425 WeakPolarHBondContact SG-CB 3.43Å; C279-C425 CovalentContact SG-SG 2.03Å; C279-C425 PolarHBondContact SG-SG 2.82Å; C279-Y492 WeakPolarHBondContact O-CA 3.23Å; C279-Y493 HydrophobicContact CB-CD2 3.6Å; C279-Y493 HydrophobicContact CB-CE2 4.23Å; C279-Y493 HydrophobicContact CB-CG 3.98Å; C279-Y493 PolarHBondContact O-N 3.22Å |
| 280 | T | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126 | 175.3 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | Y282 A322 Y325 G423 W424 Y492 | T280-Y282 HydrophobicContact CG2-CD1 4.47Å; T280-Y282 WeakPolarHBondContact O-CD1 3.34Å; T280-A322 HydrophobicContact CG2-CB 4.37Å; T280-Y325 VanDerWaalsContact CB-O 3.23Å; T280-Y325 WeakPolarHBondContact CB-O 3.41Å; T280-Y325 PolarHBondContact OG1-O 3.01Å; T280-G423 WeakPolarHBondContact O-CA 3.29Å; T280-W424 PolarHBondContact N-O 3.16Å; T280-W424 PolarHBondContact O-N 2.77Å; T280-W424 VanDerWaalsContact O-N 3.14Å; T280-Y492 HydrophobicContact CG2-CD1 4.2Å; T280-Y492 HydrophobicContact CG2-CE1 4.27Å; T280-Y492 WeakPolarHBondContact OG1-CD1 3.47Å |
| 281 | Y | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.2 | 166.7 | -168.5 | -73.1 | 0 | 0 | 0 | 108.8 | Y283 H379 L382 R421 V490 Y491 Y493 | Y281-Y283 HydrophobicContact CE1-CE1 4.43Å; Y281-H379 AromaticContact CE2-ND1 3.74Å; Y281-L382 HydrophobicContact CE2-CD1 3.74Å; Y281-R421 HydrophobicContact CE1-CG 4.05Å; Y281-R421 HydrophobicContact CE2-CG 3.83Å; Y281-R421 VanDerWaalsContact CE2-NE 3.28Å; Y281-R421 WeakPolarHBondContact OH-CG 3.42Å; Y281-V490 HydrophobicContact CD1-CB 3.87Å; Y281-V490 HydrophobicContact CD1-CG1 4.45Å; Y281-V490 HydrophobicContact CD1-CG2 3.94Å; Y281-V490 HydrophobicContact CE1-CG2 4.32Å; Y281-V490 PolarHBondContact O-N 3.23Å; Y281-Y491 VanDerWaalsContact CB-CE2 3.48Å; Y281-Y491 HydrophobicContact CD1-CD1 4.43Å; Y281-Y491 AromaticContact CD1-CE1 3.97Å; Y281-Y491 HydrophobicContact CD1-CE1 3.97Å; Y281-Y491 AromaticContact CD2-CE1 3.72Å; Y281-Y491 HydrophobicContact CD2-CE1 3.72Å; Y281-Y491 HydrophobicContact CD2-CE2 4.24Å; Y281-Y491 AromaticContact CD2-CZ 3.4Å; Y281-Y491 VanDerWaalsContact CD2-CZ 3.4Å; Y281-Y491 WeakPolarHBondContact CD2-OH 3.47Å; Y281-Y491 HydrophobicContact CE2-CE1 4.33Å; Y281-Y491 HydrophobicContact CG-CD1 4.13Å; Y281-Y491 AromaticContact CG-CE1 3.49Å; Y281-Y491 HydrophobicContact CG-CE1 3.49Å; Y281-Y491 VanDerWaalsContact CG-CE1 3.49Å; Y281-Y491 HydrophobicContact CG-CE2 4.15Å; Y281-Y491 AromaticContact CG-CZ 3.5Å; Y281-Y491 VanDerWaalsContact CG-CZ 3.5Å; Y281-Y491 PolarHBondContact N-O 3.06Å; Y281-Y491 PolarHBondContact O-N 2.67Å; Y281-Y493 VanDerWaalsContact CB-CE2 3.46Å; Y281-Y493 HydrophobicContact CD2-CE2 4.14Å; Y281-Y493 AromaticContact CD2-CZ 3.79Å; Y281-Y493 VanDerWaalsContact CD2-OH 3.25Å; Y281-Y493 WeakPolarHBondContact CD2-OH 3.49Å; Y281-Y493 HydrophobicContact CG-CE2 4.3Å; Y281-Y493 VanDerWaalsContact N-CE2 3.32Å |
| 282 | Y | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 161.9 | 178.4 | 60.4 | -79.7 | 0 | 0 | 0 | 111.2 | T280 E284 Y325 A422 W424 I487 V488 | T280-Y282 HydrophobicContact CG2-CD1 4.47Å; T280-Y282 WeakPolarHBondContact O-CD1 3.34Å; Y282-E284 HydrophobicContact CD2-CB 4.07Å; Y282-E284 HydrophobicContact CE2-CB 3.71Å; Y282-E284 HydrophobicContact CE2-CG 4.2Å; Y282-Y325 HydrophobicContact CD1-CD2 4.35Å; Y282-Y325 HydrophobicContact CD1-CE2 4.03Å; Y282-Y325 HydrophobicContact CE1-CD2 4.28Å; Y282-Y325 AromaticContact CE1-CE2 3.53Å; Y282-Y325 HydrophobicContact CE1-CE2 3.53Å; Y282-Y325 AromaticContact CZ-CE2 3.86Å; Y282-A422 HydrophobicContact CD1-CB 4.21Å; Y282-A422 HydrophobicContact CD2-CB 3.91Å; Y282-A422 HydrophobicContact CE1-CB 3.77Å; Y282-A422 HydrophobicContact CE2-CB 3.46Å; Y282-A422 VanDerWaalsContact CE2-CB 3.46Å; Y282-A422 HydrophobicContact CG-CB 4.27Å; Y282-A422 PolarHBondContact N-O 3.19Å; Y282-A422 VanDerWaalsContact N-O 3.1Å; Y282-A422 PolarHBondContact O-N 3.15Å; Y282-A422 VanDerWaalsContact O-O 3.12Å; Y282-W424 HydrophobicContact CE1-CB 4.02Å; Y282-I487 HydrophobicContact CD2-CB 3.81Å; Y282-I487 HydrophobicContact CD2-CD1 3.96Å; Y282-I487 HydrophobicContact CD2-CG1 4.49Å; Y282-I487 HydrophobicContact CD2-CG2 3.71Å; Y282-I487 HydrophobicContact CE2-CB 4.45Å; Y282-I487 HydrophobicContact CE2-CG2 3.85Å; Y282-I487 HydrophobicContact CG-CB 4.49Å; Y282-I487 HydrophobicContact CG-CD1 3.95Å; Y282-V488 CarbonylContact C-O 3.54Å; Y282-V488 VanDerWaalsContact CA-O 3.23Å; Y282-V488 WeakPolarHBondContact CA-O 3.41Å; Y282-V488 VanDerWaalsContact CB-O 3.31Å; Y282-V488 WeakPolarHBondContact CB-O 3.4Å |
| 283 | Y | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 114 | 159.9 | -67.4 | -67.5 | 0 | 0 | 0 | 108.5 | Y281 M305 L371 L382 A386 W390 V419 A420 R421 V488 V490 | Y281-Y283 HydrophobicContact CE1-CE1 4.43Å; Y283-M305 HydrophobicContact CD2-CE 4.05Å; Y283-M305 HydrophobicContact CE2-CE 3.79Å; Y283-L371 HydrophobicContact CD1-CD1 3.48Å; Y283-L371 VanDerWaalsContact CD1-CD1 3.48Å; Y283-L371 HydrophobicContact CD1-CD2 4.48Å; Y283-L371 HydrophobicContact CE1-CD1 3.57Å; Y283-L371 HydrophobicContact CE1-CD2 3.82Å; Y283-L371 HydrophobicContact CE1-CG 4.24Å; Y283-L371 HydrophobicContact CG-CD1 4.46Å; Y283-L382 PolarHBondContact OH-O 3Å; Y283-A386 HydrophobicContact CE2-CB 3.61Å; Y283-A386 WeakPolarHBondContact OH-CB 3.47Å; Y283-W390 HydrophobicContact CD1-CH2 4.44Å; Y283-W390 AromaticContact CD2-CH2 3.57Å; Y283-W390 HydrophobicContact CD2-CH2 3.57Å; Y283-W390 HydrophobicContact CD2-CZ2 4.08Å; Y283-W390 HydrophobicContact CD2-CZ3 4.44Å; Y283-W390 HydrophobicContact CE2-CH2 4.03Å; Y283-W390 HydrophobicContact CE2-CZ3 4.5Å; Y283-W390 AromaticContact CG-CH2 3.81Å; Y283-W390 HydrophobicContact CG-CH2 3.81Å; Y283-V419 HydrophobicContact CD1-CG1 4.45Å; Y283-V419 HydrophobicContact CG-CG1 4.42Å; Y283-A420 CarbonylContact C-O 3.53Å; Y283-A420 WeakPolarHBondContact CA-O 3.21Å; Y283-R421 HydrophobicContact CD1-CB 4.32Å; Y283-R421 HydrophobicContact CE1-CB 4.09Å; Y283-V488 PolarHBondContact N-O 2.93Å; Y283-V488 PolarHBondContact O-N 3.03Å; Y283-V490 HydrophobicContact CD2-CG2 3.79Å; Y283-V490 HydrophobicContact CE2-CG2 3.98Å |
| 284 | E | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.8 | 174.7 | -175.4 | 174 | 67.1 | 0 | 0 | 109.1 | Y282 R412 F417 V419 A420 A422 T446 A447 | Y282-E284 HydrophobicContact CD2-CB 4.07Å; Y282-E284 HydrophobicContact CE2-CB 3.71Å; Y282-E284 HydrophobicContact CE2-CG 4.2Å; E284-R412 IonicContact OE1-CZ 3.66Å; E284-R412 IonicContact OE1-NE 3.6Å; E284-R412 PolarHBondContact OE1-NE 3.19Å; E284-R412 IonicContact OE1-NH2 2.7Å; E284-R412 PolarHBondContact OE1-NH2 3.12Å; E284-R412 IonicContact OE2-CZ 2.75Å; E284-R412 IonicContact OE2-NE 3.95Å; E284-R412 IonicContact OE2-NH2 3.35Å; E284-R412 PolarHBondContact OE2-NH2 2.83Å; E284-F417 HydrophobicContact CG-CE2 4.24Å; E284-F417 HydrophobicContact CG-CZ 4.15Å; E284-V419 CarbonylContact O-C 3.6Å; E284-V419 VanDerWaalsContact O-CA 3.28Å; E284-V419 WeakPolarHBondContact O-CA 3.2Å; E284-V419 WeakPolarHBondContact O-CG1 3.45Å; E284-A420 HydrophobicContact CB-CB 4.44Å; E284-A420 PolarHBondContact N-O 3.35Å; E284-A420 PolarHBondContact O-N 2.9Å; E284-A422 HydrophobicContact CB-CB 3.96Å; E284-T446 VanDerWaalsContact CD-C 3.47Å; E284-T446 VanDerWaalsContact OE2-C 3.31Å; E284-T446 WeakPolarHBondContact OE2-CB 3.3Å; E284-T446 PolarHBondContact OE2-OG1 3.46Å; E284-A447 HydrophobicContact CG-CB 3.94Å; E284-A447 PolarHBondContact OE2-N 3.21Å |
| 285 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.6 | 175.8 | -64.6 | 166.9 | 0 | 0 | 0 | 107.3 | N287 F292 R298 L301 V419 A447 V488 | I285-N287 PolarHBondContact O-N 2.91Å; I285-N287 VanDerWaalsContact O-N 3.13Å; I285-N287 PolarHBondContact O-OD1 3.12Å; I285-F292 HydrophobicContact CG2-CB 3.49Å; I285-F292 VanDerWaalsContact CG2-CB 3.49Å; I285-F292 HydrophobicContact CG2-CD1 3.83Å; I285-F292 HydrophobicContact CG2-CG 3.82Å; I285-R298 HydrophobicContact CD1-CB 3.86Å; I285-R298 HydrophobicContact CD1-CG 4.03Å; I285-R298 HydrophobicContact CG2-CG 4.01Å; I285-L301 HydrophobicContact CD1-CD1 4.44Å; I285-V419 HydrophobicContact CG1-CG2 4.41Å; I285-A447 VanDerWaalsContact O-O 3.07Å; I285-V488 HydrophobicContact CD1-CG2 3.84Å; I285-V488 HydrophobicContact CG1-CG2 4.44Å |
| 286 | N | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | trans | -77.5 | 95.9 | 171 | -177.1 | -19 | 0 | 0 | 0 | 110.1 | Q288 K289 F292 G415 F417 D418 | N286-Q288 PolarHBondContact O-N 3.15Å; N286-Q288 VanDerWaalsContact O-N 3.11Å; N286-Q288 PolarHBondContact OD1-N 3.14Å; N286-K289 HydrophobicContact CB-CB 4.06Å; N286-K289 PolarHBondContact O-N 2.88Å; N286-K289 PolarHBondContact OD1-N 3.49Å; N286-F292 VanDerWaalsContact O-CB 3.31Å; N286-F292 WeakPolarHBondContact O-CB 3.44Å; N286-G415 PolarHBondContact ND2-O 2.66Å; N286-F417 HydrophobicContact CB-CD2 4.24Å; N286-F417 HydrophobicContact CB-CE1 4.23Å; N286-F417 HydrophobicContact CB-CE2 3.83Å; N286-F417 HydrophobicContact CB-CZ 3.82Å; N286-F417 PolarHBondContact ND2-O 3.25Å; N286-D418 PolarHBondContact N-O 3.21Å; N286-D418 VanDerWaalsContact N-O 3.13Å | ||
| 287 | N | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15 | -171.9 | -79.5 | 49.8 | 0 | 0 | 0 | 114.8 | I285 N293 R298 A447 A486 | I285-N287 PolarHBondContact O-N 2.91Å; I285-N287 VanDerWaalsContact O-N 3.13Å; I285-N287 PolarHBondContact O-OD1 3.12Å; N287-N293 VanDerWaalsContact O-CA 3.32Å; N287-N293 WeakPolarHBondContact O-CA 3.33Å; N287-N293 WeakPolarHBondContact O-CB 3.18Å; N287-R298 PolarHBondContact ND2-NE 2.95Å; N287-A447 PolarHBondContact N-O 2.6Å; N287-A486 PolarHBondContact OD1-O 3.09Å; N287-A486 VanDerWaalsContact OD1-O 3.11Å |
| 288 | Q | 98.2 | Very high | 98.4 | Very high | 104 Ų | 104 | 29.4 Ų | 29.4 | 49% | 0.486 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -12.8 | 179.4 | -58.6 | -59.3 | -40.5 | 0 | 0 | 113.2 | N286 H448 | N286-Q288 PolarHBondContact O-N 3.15Å; N286-Q288 VanDerWaalsContact O-N 3.11Å; N286-Q288 PolarHBondContact OD1-N 3.14Å; Q288-H448 HydrophobicContact CB-CB 4.33Å; Q288-H448 HydrophobicContact CG-CB 3.66Å; Q288-H448 VanDerWaalsContact CG-O 3.28Å; Q288-H448 WeakPolarHBondContact CG-O 3.39Å; Q288-H448 PolarHBondContact NE2-O 3.21Å |
| 289 | K | 98 | Very high | 98.5 | Very high | 67 Ų | 67 | 30.6 Ų | 30.6 | 29% | 0.291 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -94.5 | 122.6 | -175.7 | -171.7 | -179.4 | -172.7 | -177.4 | 0 | 111.4 | N286 F292 N293 F417 D418 | N286-K289 HydrophobicContact CB-CB 4.06Å; N286-K289 PolarHBondContact O-N 2.88Å; N286-K289 PolarHBondContact OD1-N 3.49Å; K289-F292 WeakPolarHBondContact O-CA 3.24Å; K289-F292 VanDerWaalsContact O-CB 3.29Å; K289-F292 WeakPolarHBondContact O-CB 3.37Å; K289-F292 WeakPolarHBondContact O-CD2 3.41Å; K289-F292 PolarHBondContact O-N 2.79Å; K289-N293 PolarHBondContact O-N 2.78Å; K289-F417 WeakPolarHBondContact CD-O 3.3Å; K289-F417 PolarHBondContact NZ-O 2.86Å; K289-D418 VanDerWaalsContact CE-OD1 3.22Å; K289-D418 WeakPolarHBondContact CE-OD1 3.49Å; K289-D418 IonicContact NZ-OD1 3.91Å; K289-D418 PolarHBondContact NZ-OD1 3.43Å |
| 290 | P | 97.2 | Very high | 98.5 | Very high | 90 Ų | 90 | 30.6 Ų | 30.6 | 58% | 0.584 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 139.4 | 170.9 | -24 | 34.3 | 0 | 0 | 0 | 111.7 | N293 | P290-N293 WeakPolarHBondContact CA-OD1 3.49Š|
| 291 | P | 97.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 22% | 0.221 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.4 | 8.9 | 5.7 | 38.2 | -37.9 | 0 | 0 | 0 | 114.7 | N293 D294 Y361 L367 | P291-N293 VanDerWaalsContact C-N 3.27Å; P291-N293 PolarHBondContact O-N 3.44Å; P291-D294 WeakPolarHBondContact O-CB 3.25Å; P291-D294 PolarHBondContact O-N 3.24Å; P291-Y361 HydrophobicContact CB-CE2 4.4Å; P291-Y361 WeakPolarHBondContact CB-OH 3.08Å; P291-Y361 VanDerWaalsContact CG-OH 3.25Å; P291-Y361 WeakPolarHBondContact CG-OH 3.24Å; P291-L367 HydrophobicContact CG-CD1 3.67Å |
| 292 | F | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.7 | -173.2 | -54 | -72.4 | 0 | 0 | 0 | 114.3 | I285 N286 K289 D294 V297 R298 L301 I369 D418 V419 | I285-F292 HydrophobicContact CG2-CB 3.49Å; I285-F292 VanDerWaalsContact CG2-CB 3.49Å; I285-F292 HydrophobicContact CG2-CD1 3.83Å; I285-F292 HydrophobicContact CG2-CG 3.82Å; N286-F292 VanDerWaalsContact O-CB 3.31Å; N286-F292 WeakPolarHBondContact O-CB 3.44Å; K289-F292 WeakPolarHBondContact O-CA 3.24Å; K289-F292 VanDerWaalsContact O-CB 3.29Å; K289-F292 WeakPolarHBondContact O-CB 3.37Å; K289-F292 WeakPolarHBondContact O-CD2 3.41Å; K289-F292 PolarHBondContact O-N 2.79Å; F292-D294 PolarHBondContact O-N 3.49Å; F292-V297 HydrophobicContact CD1-CG1 4.24Å; F292-R298 WeakPolarHBondContact O-CD 3.35Å; F292-R298 WeakPolarHBondContact O-CG 3.22Å; F292-R298 PolarHBondContact O-NH1 2.87Å; F292-L301 HydrophobicContact CD1-CD1 4.27Å; F292-L301 HydrophobicContact CE1-CD1 3.98Å; F292-I369 HydrophobicContact CE1-CG2 3.84Å; F292-I369 HydrophobicContact CZ-CB 4.08Å; F292-I369 HydrophobicContact CZ-CG2 3.54Å; F292-D418 HydrophobicContact CE2-CB 3.46Å; F292-D418 VanDerWaalsContact CE2-CB 3.46Å; F292-D418 HydrophobicContact CZ-CB 3.67Å; F292-V419 HydrophobicContact CD1-CG2 4.38Å; F292-V419 HydrophobicContact CE1-CG2 3.75Å; F292-V419 HydrophobicContact CZ-CG2 4.02Å |
| 293 | N | 97.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 30.9 Ų | 30.9 | 50% | 0.497 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -17 | 167 | 61.8 | -20.1 | 0 | 0 | 0 | 112.7 | N287 K289 P290 P291 R298 | N287-N293 VanDerWaalsContact O-CA 3.32Å; N287-N293 WeakPolarHBondContact O-CA 3.33Å; N287-N293 WeakPolarHBondContact O-CB 3.18Å; K289-N293 PolarHBondContact O-N 2.78Å; P290-N293 WeakPolarHBondContact CA-OD1 3.49Å; P291-N293 VanDerWaalsContact C-N 3.27Å; P291-N293 PolarHBondContact O-N 3.44Å; N293-R298 VanDerWaalsContact C-NH1 3.26Å; N293-R298 PolarHBondContact O-NH1 2.69Å |
| 294 | D | 98.5 | Very high | 98.4 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 21% | 0.209 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -81.4 | 119 | 171 | -169 | -28.1 | 0 | 0 | 0 | 111.8 | P291 F292 R296 V297 R298 | P291-D294 WeakPolarHBondContact O-CB 3.25Å; P291-D294 PolarHBondContact O-N 3.24Å; F292-D294 PolarHBondContact O-N 3.49Å; D294-R296 PolarHBondContact O-N 3.12Å; D294-R296 VanDerWaalsContact OD1-CB 3.28Å; D294-R296 WeakPolarHBondContact OD1-CB 3.42Å; D294-R296 WeakPolarHBondContact OD1-CG 3.45Å; D294-R296 IonicContact OD1-CZ 3.79Å; D294-R296 PolarHBondContact OD1-N 3.44Å; D294-R296 IonicContact OD1-NE 3.03Å; D294-R296 PolarHBondContact OD1-NE 2.96Å; D294-R296 VanDerWaalsContact OD1-NE 3.07Å; D294-R296 IonicContact OD1-NH2 3.23Å; D294-R296 IonicContact OD2-CZ 2.82Å; D294-R296 IonicContact OD2-NE 3.6Å; D294-R296 PolarHBondContact OD2-NE 3.2Å; D294-R296 IonicContact OD2-NH2 3.39Å; D294-R296 PolarHBondContact OD2-NH2 3.35Å; D294-V297 HydrophobicContact CB-CB 4.41Å; D294-V297 HydrophobicContact CB-CG2 4Å; D294-V297 PolarHBondContact O-N 3.4Å; D294-V297 VanDerWaalsContact O-N 3.15Å; D294-R298 PolarHBondContact O-N 3.12Å |
| 295 | V | 98.5 | Very high | 98.4 | Very high | 58 Ų | 58 | 30.8 Ų | 30.8 | 35% | 0.352 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.8 | -29.4 | 179.3 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | R298 T299 | V295-R298 PolarHBondContact O-N 3.39Å; V295-T299 VanDerWaalsContact O-CB 3.24Å; V295-T299 WeakPolarHBondContact O-CB 3.28Å; V295-T299 PolarHBondContact O-N 3.05Å; V295-T299 PolarHBondContact O-OG1 3.05Å |
| 296 | R | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 31.7 Ų | 31.7 | 34% | 0.336 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68 | -40.6 | 179.5 | -60.8 | 172.3 | -68.7 | 173 | 4.3 | 110.9 | D294 A300 L355 E358 A359 | D294-R296 PolarHBondContact O-N 3.12Å; D294-R296 VanDerWaalsContact OD1-CB 3.28Å; D294-R296 WeakPolarHBondContact OD1-CB 3.42Å; D294-R296 WeakPolarHBondContact OD1-CG 3.45Å; D294-R296 IonicContact OD1-CZ 3.79Å; D294-R296 PolarHBondContact OD1-N 3.44Å; D294-R296 IonicContact OD1-NE 3.03Å; D294-R296 PolarHBondContact OD1-NE 2.96Å; D294-R296 VanDerWaalsContact OD1-NE 3.07Å; D294-R296 IonicContact OD1-NH2 3.23Å; D294-R296 IonicContact OD2-CZ 2.82Å; D294-R296 IonicContact OD2-NE 3.6Å; D294-R296 PolarHBondContact OD2-NE 3.2Å; D294-R296 IonicContact OD2-NH2 3.39Å; D294-R296 PolarHBondContact OD2-NH2 3.35Å; R296-A300 WeakPolarHBondContact O-CB 3.5Å; R296-A300 PolarHBondContact O-N 3.47Å; R296-L355 HydrophobicContact CB-CB 4.27Å; R296-L355 HydrophobicContact CB-CD2 4.2Å; R296-L355 HydrophobicContact CG-CD2 4.06Å; R296-E358 PolarHBondContact NH1-O 2.92Å; R296-A359 HydrophobicContact CB-CB 4.41Å |
| 297 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | F292 D294 A300 L301 A359 Y361 L367 | F292-V297 HydrophobicContact CD1-CG1 4.24Å; D294-V297 HydrophobicContact CB-CB 4.41Å; D294-V297 HydrophobicContact CB-CG2 4Å; D294-V297 PolarHBondContact O-N 3.4Å; D294-V297 VanDerWaalsContact O-N 3.15Å; V297-A300 PolarHBondContact O-N 2.96Å; V297-L301 PolarHBondContact O-N 3.35Å; V297-L301 VanDerWaalsContact O-N 3.15Å; V297-A359 HydrophobicContact CG2-CB 3.8Å; V297-Y361 HydrophobicContact CG2-CD2 4.41Å; V297-Y361 HydrophobicContact CG2-CE2 3.91Å; V297-L367 HydrophobicContact CG1-CD2 3.82Å |
| 298 | R | 98.7 | Very high | 98.3 | Very high | 19 Ų | 19 | 35 Ų | 35 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 178 | -57.4 | -163.1 | -64.6 | -83.4 | 2.4 | 112.5 | I285 N287 F292 N293 D294 V295 A300 L301 K302 D484 S485 | I285-R298 HydrophobicContact CD1-CB 3.86Å; I285-R298 HydrophobicContact CD1-CG 4.03Å; I285-R298 HydrophobicContact CG2-CG 4.01Å; N287-R298 PolarHBondContact ND2-NE 2.95Å; F292-R298 WeakPolarHBondContact O-CD 3.35Å; F292-R298 WeakPolarHBondContact O-CG 3.22Å; F292-R298 PolarHBondContact O-NH1 2.87Å; N293-R298 VanDerWaalsContact C-NH1 3.26Å; N293-R298 PolarHBondContact O-NH1 2.69Å; D294-R298 PolarHBondContact O-N 3.12Å; V295-R298 PolarHBondContact O-N 3.39Å; R298-A300 VanDerWaalsContact C-N 3.29Å; R298-A300 PolarHBondContact O-N 2.94Å; R298-L301 PolarHBondContact O-N 3.34Å; R298-K302 PolarHBondContact O-N 3.46Å; R298-D484 VanDerWaalsContact CZ-O 3.28Å; R298-D484 PolarHBondContact NE-O 3.23Å; R298-D484 PolarHBondContact NH2-O 2.87Å; R298-S485 WeakPolarHBondContact CB-O 3.44Å; R298-S485 WeakPolarHBondContact CD-O 3.39Å; R298-S485 PolarHBondContact NE-O 3.43Å |
| 299 | T | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 111 | V295 K302 L303 L355 S485 | V295-T299 VanDerWaalsContact O-CB 3.24Å; V295-T299 WeakPolarHBondContact O-CB 3.28Å; V295-T299 PolarHBondContact O-N 3.05Å; V295-T299 PolarHBondContact O-OG1 3.05Å; T299-K302 WeakPolarHBondContact O-CB 3.45Å; T299-K302 PolarHBondContact O-N 3.47Å; T299-L303 HydrophobicContact CG2-CD1 3.91Å; T299-L303 HydrophobicContact CG2-CG 4.16Å; T299-L303 WeakPolarHBondContact O-CB 3.33Å; T299-L303 VanDerWaalsContact O-CG 3.32Å; T299-L303 WeakPolarHBondContact O-CG 3.42Å; T299-L303 PolarHBondContact O-N 3.37Å; T299-L355 HydrophobicContact CG2-CD1 3.6Å; T299-S485 WeakPolarHBondContact CA-OG 3.23Å; T299-S485 PolarHBondContact OG1-OG 3.12Å |
| 300 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R296 V297 R298 K302 G304 A352 L355 L356 | R296-A300 WeakPolarHBondContact O-CB 3.5Å; R296-A300 PolarHBondContact O-N 3.47Å; V297-A300 PolarHBondContact O-N 2.96Å; R298-A300 VanDerWaalsContact C-N 3.29Å; R298-A300 PolarHBondContact O-N 2.94Å; A300-K302 VanDerWaalsContact C-N 3.33Å; A300-G304 PolarHBondContact O-N 3.01Å; A300-A352 HydrophobicContact CB-CB 4.09Å; A300-A352 WeakPolarHBondContact CB-O 3.27Å; A300-L355 HydrophobicContact CB-CB 4.33Å; A300-L356 HydrophobicContact CB-CD1 4.14Å; A300-L356 HydrophobicContact CB-CD2 3.83Å; A300-L356 HydrophobicContact CB-CG 3.52Å |
| 301 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 174.2 | -65.8 | 177.6 | 0 | 0 | 0 | 111.6 | I285 F292 V297 R298 M305 L367 I369 W390 I394 V396 V419 V488 | I285-L301 HydrophobicContact CD1-CD1 4.44Å; F292-L301 HydrophobicContact CD1-CD1 4.27Å; F292-L301 HydrophobicContact CE1-CD1 3.98Å; V297-L301 PolarHBondContact O-N 3.35Å; V297-L301 VanDerWaalsContact O-N 3.15Å; R298-L301 PolarHBondContact O-N 3.34Å; L301-M305 PolarHBondContact O-N 2.91Å; L301-L367 HydrophobicContact CD2-CD2 4.44Å; L301-I369 HydrophobicContact CD2-CD1 4.39Å; L301-W390 HydrophobicContact CB-CZ2 4.37Å; L301-W390 HydrophobicContact CD2-CD2 4.47Å; L301-W390 PolarHBondContact O-NE1 3.31Å; L301-I394 HydrophobicContact CD2-CD1 4.14Å; L301-V396 HydrophobicContact CD2-CG1 4.45Å; L301-V396 HydrophobicContact CD2-CG2 4.22Å; L301-V419 HydrophobicContact CD1-CG2 4.21Å; L301-V488 HydrophobicContact CB-CG2 4.16Å |
| 302 | K | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 177.3 | -175.9 | -176.7 | 70.4 | 178.1 | 0 | 112.5 | R298 T299 A300 R307 W340 D482 S485 V488 | R298-K302 PolarHBondContact O-N 3.46Å; T299-K302 WeakPolarHBondContact O-CB 3.45Å; T299-K302 PolarHBondContact O-N 3.47Å; A300-K302 VanDerWaalsContact C-N 3.33Å; K302-R307 PolarHBondContact O-NH1 3.47Å; K302-R307 PolarHBondContact O-NH2 3.15Å; K302-W340 HydrophobicContact CD-CZ2 4.2Å; K302-W340 HydrophobicContact CG-CZ2 4.48Å; K302-D482 PolarHBondContact NZ-O 3.31Å; K302-D482 IonicContact NZ-OD1 3.79Å; K302-D482 PolarHBondContact NZ-OD1 2.92Å; K302-D482 IonicContact NZ-OD2 3.78Å; K302-S485 WeakPolarHBondContact CE-OG 3.23Å; K302-S485 PolarHBondContact NZ-OG 2.67Å; K302-V488 HydrophobicContact CB-CG2 4.2Å |
| 303 | L | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.9 | -39.1 | -177.4 | -67.2 | -177.3 | 0 | 0 | 0 | 112.4 | T299 M305 W340 Q345 R348 E351 A352 L355 | T299-L303 HydrophobicContact CG2-CD1 3.91Å; T299-L303 HydrophobicContact CG2-CG 4.16Å; T299-L303 WeakPolarHBondContact O-CB 3.33Å; T299-L303 VanDerWaalsContact O-CG 3.32Å; T299-L303 WeakPolarHBondContact O-CG 3.42Å; T299-L303 PolarHBondContact O-N 3.37Å; L303-M305 PolarHBondContact O-N 2.86Å; L303-W340 HydrophobicContact CD2-CB 3.64Å; L303-W340 HydrophobicContact CD2-CD2 3.89Å; L303-W340 HydrophobicContact CD2-CE3 4.02Å; L303-W340 HydrophobicContact CD2-CG 3.73Å; L303-Q345 PolarHBondContact O-NE2 2.97Å; L303-R348 HydrophobicContact CB-CB 4.2Å; L303-R348 HydrophobicContact CD2-CG 4.2Å; L303-R348 WeakPolarHBondContact O-CB 3.39Å; L303-E351 HydrophobicContact CD1-CB 4.24Å; L303-E351 HydrophobicContact CD1-CG 4.24Å; L303-A352 HydrophobicContact CB-CB 4Å; L303-L355 HydrophobicContact CD1-CD1 4.36Å |
| 304 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.6 | -10.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A300 N393 | A300-G304 PolarHBondContact O-N 3.01Å; G304-N393 PolarHBondContact O-ND2 3.27Å |
| 305 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -79.8 | 117.7 | 175.3 | -174.4 | 51.4 | 70.8 | 0 | 0 | 111.7 | Y283 L301 L303 R307 I310 A386 L389 W390 V488 | Y283-M305 HydrophobicContact CD2-CE 4.05Å; Y283-M305 HydrophobicContact CE2-CE 3.79Å; L301-M305 PolarHBondContact O-N 2.91Å; L303-M305 PolarHBondContact O-N 2.86Å; M305-R307 PolarHBondContact O-N 3.36Å; M305-R307 PolarHBondContact O-NH1 3.3Å; M305-I310 HydrophobicContact CE-CD1 4.19Å; M305-I310 HydrophobicContact CG-CD1 4.41Å; M305-I310 HydrophobicContact SD-CD1 3.24Å; M305-I310 WeakPolarHBondContact SD-CD1 3.24Å; M305-I310 HydrophobicContact SD-CG1 4.23Å; M305-A386 HydrophobicContact CE-CB 3.5Å; M305-A386 HydrophobicContact SD-CB 4.39Å; M305-L389 HydrophobicContact SD-CD1 4.3Å; M305-W390 HydrophobicContact CE-CD2 3.63Å; M305-W390 HydrophobicContact CE-CE3 3.98Å; M305-W390 HydrophobicContact CE-CG 4.32Å; M305-W390 HydrophobicContact CE-CH2 3.69Å; M305-W390 HydrophobicContact CE-CZ2 3.28Å; M305-W390 HydrophobicContact CE-CZ3 4.02Å; M305-V488 HydrophobicContact CB-CG1 3.98Å; M305-V488 HydrophobicContact CG-CG1 4.26Å | ||
| 306 | D | 98.4 | Very high | 97.8 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | trans | -86.6 | 98.9 | 175.4 | -168.6 | -30.6 | 0 | 0 | 0 | 110.8 | D308 I309 I310 Q345 L389 | D306-D308 PolarHBondContact OD1-N 2.85Å; D306-D308 VanDerWaalsContact OD1-N 3.17Å; D306-I309 HydrophobicContact CB-CB 4.31Å; D306-I309 HydrophobicContact CB-CD1 4.28Å; D306-I309 HydrophobicContact CB-CG1 4.38Å; D306-I309 PolarHBondContact OD1-N 3.35Å; D306-I309 WeakPolarHBondContact OD2-CD1 3.48Å; D306-I309 WeakPolarHBondContact OD2-CG1 3.31Å; D306-I310 PolarHBondContact O-N 2.91Å; D306-Q345 HydrophobicContact CB-CG 4.07Å; D306-L389 HydrophobicContact CB-CD1 4.16Å; D306-L389 HydrophobicContact CB-CD2 4.05Å | ||
| 307 | R | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 3% | 0.034 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.8 | -33.4 | -177.4 | -64.1 | 162.2 | 175.2 | 71.7 | 1.7 | 112.3 | K302 M305 I310 V311 P321 A322 P489 | K302-R307 PolarHBondContact O-NH1 3.47Å; K302-R307 PolarHBondContact O-NH2 3.15Å; M305-R307 PolarHBondContact O-N 3.36Å; M305-R307 PolarHBondContact O-NH1 3.3Å; R307-I310 PolarHBondContact O-N 3Å; R307-V311 VanDerWaalsContact O-CB 3.22Å; R307-V311 WeakPolarHBondContact O-CB 3.17Å; R307-V311 WeakPolarHBondContact O-CG2 3.5Å; R307-V311 PolarHBondContact O-N 2.97Å; R307-P321 HydrophobicContact CB-CB 4.01Å; R307-A322 VanDerWaalsContact CD-O 3.22Å; R307-A322 WeakPolarHBondContact CD-O 3.39Å; R307-A322 PolarHBondContact NE-O 2.88Å; R307-P489 PolarHBondContact NE-O 3.27Å; R307-P489 PolarHBondContact NH2-O 2.77Å |
| 308 | D | 97.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 27.3 Ų | 27.3 | 39% | 0.39 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.1 | -45 | 178.4 | -178.3 | 68.1 | 0 | 0 | 0 | 110.6 | D306 N312 K313 | D306-D308 PolarHBondContact OD1-N 2.85Å; D306-D308 VanDerWaalsContact OD1-N 3.17Å; D308-N312 WeakPolarHBondContact O-CA 3.41Å; D308-N312 WeakPolarHBondContact O-CB 3.47Å; D308-N312 PolarHBondContact O-N 3.38Å; D308-N312 PolarHBondContact OD1-ND2 3.45Å; D308-K313 WeakPolarHBondContact OD2-CE 3.49Å; D308-K313 IonicContact OD2-NZ 3.7Å |
| 309 | I | 97.7 | Very high | 97.5 | Very high | 44 Ų | 44 | 26.7 Ų | 26.7 | 23% | 0.226 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -62.4 | -49.8 | 176.6 | -66 | 179.6 | 0 | 0 | 0 | 110.7 | D306 V311 K313 V314 L389 | D306-I309 HydrophobicContact CB-CB 4.31Å; D306-I309 HydrophobicContact CB-CD1 4.28Å; D306-I309 HydrophobicContact CB-CG1 4.38Å; D306-I309 PolarHBondContact OD1-N 3.35Å; D306-I309 WeakPolarHBondContact OD2-CD1 3.48Å; D306-I309 WeakPolarHBondContact OD2-CG1 3.31Å; I309-V311 PolarHBondContact O-N 2.78Å; I309-K313 HydrophobicContact CG1-CD 4.18Å; I309-K313 CarbonylContact O-C 3.47Å; I309-K313 WeakPolarHBondContact O-CA 3.27Å; I309-K313 WeakPolarHBondContact O-CB 3.34Å; I309-K313 PolarHBondContact O-N 2.92Å; I309-K313 VanDerWaalsContact O-N 3.17Å; I309-V314 HydrophobicContact CG2-CG2 4.05Å; I309-V314 WeakPolarHBondContact O-CG2 3.31Å; I309-V314 PolarHBondContact O-N 2.71Å; I309-L389 HydrophobicContact CB-CD1 4.32Å; I309-L389 HydrophobicContact CB-CD2 4.39Å; I309-L389 HydrophobicContact CD1-CD2 3.81Å; I309-L389 HydrophobicContact CG2-CD1 4.16Å; I309-L389 HydrophobicContact CG2-CD2 4.19Å |
| 310 | I | 97.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -62.2 | -46.8 | -178.1 | -70.2 | -168.7 | 0 | 0 | 0 | 111.6 | M305 D306 R307 V314 K315 L382 A386 L389 V490 | M305-I310 HydrophobicContact CE-CD1 4.19Å; M305-I310 HydrophobicContact CG-CD1 4.41Å; M305-I310 HydrophobicContact SD-CD1 3.24Å; M305-I310 WeakPolarHBondContact SD-CD1 3.24Å; M305-I310 HydrophobicContact SD-CG1 4.23Å; D306-I310 PolarHBondContact O-N 2.91Å; R307-I310 PolarHBondContact O-N 3Å; I310-V314 WeakPolarHBondContact O-CB 3.42Å; I310-K315 WeakPolarHBondContact O-CB 3.41Å; I310-K315 PolarHBondContact O-N 3.48Å; I310-L382 HydrophobicContact CG2-CD2 3.95Å; I310-A386 HydrophobicContact CD1-CB 4.18Å; I310-L389 HydrophobicContact CD1-CD1 3.97Å; I310-L389 HydrophobicContact CG1-CD1 3.53Å; I310-V490 HydrophobicContact CB-CG1 4.35Å; I310-V490 HydrophobicContact CD1-CG1 4.36Å; I310-V490 HydrophobicContact CG2-CG1 3.74Å |
| 311 | V | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -81.4 | -49.9 | -170.4 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | R307 I309 A316 D319 P321 Y491 | R307-V311 VanDerWaalsContact O-CB 3.22Å; R307-V311 WeakPolarHBondContact O-CB 3.17Å; R307-V311 WeakPolarHBondContact O-CG2 3.5Å; R307-V311 PolarHBondContact O-N 2.97Å; I309-V311 PolarHBondContact O-N 2.78Å; V311-A316 WeakPolarHBondContact O-CA 3.5Å; V311-A316 PolarHBondContact O-N 3.4Å; V311-D319 HydrophobicContact CG1-CB 4.07Å; V311-D319 WeakPolarHBondContact CG1-O 3.31Å; V311-P321 HydrophobicContact CB-CG 4.15Å; V311-P321 HydrophobicContact CG1-CG 4.15Å; V311-P321 HydrophobicContact CG2-CG 4.33Å; V311-Y491 HydrophobicContact CG2-CD1 4.15Å; V311-Y491 HydrophobicContact CG2-CG 4.26Å |
| 312 | N | 97 | Very high | 97.4 | Very high | 85 Ų | 85 | 31.7 Ų | 31.7 | 46% | 0.455 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -94.1 | -20.9 | -169.7 | -62.4 | -37.1 | 0 | 0 | 0 | 113.5 | D308 | D308-N312 WeakPolarHBondContact O-CA 3.41Å; D308-N312 WeakPolarHBondContact O-CB 3.47Å; D308-N312 PolarHBondContact O-N 3.38Å; D308-N312 PolarHBondContact OD1-ND2 3.45Å |
| 313 | K | 94.9 | Very high | 97.4 | Very high | 143 Ų | 143 | 32.4 Ų | 32.4 | 62% | 0.622 | 18% | 0.182 | S | C | * | . | I | π-helix | trans | -111.9 | -38.4 | -177.7 | -52.3 | -175.5 | -166.4 | -72.3 | 0 | 113.8 | D308 I309 | D308-K313 WeakPolarHBondContact OD2-CE 3.49Å; D308-K313 IonicContact OD2-NZ 3.7Å; I309-K313 HydrophobicContact CG1-CD 4.18Å; I309-K313 CarbonylContact O-C 3.47Å; I309-K313 WeakPolarHBondContact O-CA 3.27Å; I309-K313 WeakPolarHBondContact O-CB 3.34Å; I309-K313 PolarHBondContact O-N 2.92Å; I309-K313 VanDerWaalsContact O-N 3.17Å |
| 314 | V | 95.9 | Very high | 97.4 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 24% | 0.242 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -89 | -57.8 | -179 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | I258 I309 I310 L382 A385 | I258-V314 HydrophobicContact CD1-CG1 4.09Å; I258-V314 WeakPolarHBondContact CG2-O 3.29Å; I309-V314 HydrophobicContact CG2-CG2 4.05Å; I309-V314 WeakPolarHBondContact O-CG2 3.31Å; I309-V314 PolarHBondContact O-N 2.71Å; I310-V314 WeakPolarHBondContact O-CB 3.42Å; V314-L382 HydrophobicContact CG1-CD2 4.34Å; V314-A385 HydrophobicContact CG1-CB 4.06Å; V314-A385 HydrophobicContact CG2-CB 4.09Å |
| 315 | K | 97.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -76.6 | -58.9 | 179.8 | -169.7 | 171.9 | -174.3 | -64.5 | 0 | 110.9 | I310 Q317 D319 L382 Y491 | I310-K315 WeakPolarHBondContact O-CB 3.41Å; I310-K315 PolarHBondContact O-N 3.48Å; K315-Q317 HydrophobicContact CG-CB 4.22Å; K315-Q317 HydrophobicContact CG-CG 3.91Å; K315-Q317 WeakPolarHBondContact O-CG 3.19Å; K315-Q317 PolarHBondContact O-N 3.19Å; K315-D319 WeakPolarHBondContact CD-OD2 3.47Å; K315-D319 WeakPolarHBondContact CE-OD2 3.32Å; K315-D319 IonicContact NZ-OD1 3.83Å; K315-D319 PolarHBondContact NZ-OD1 3.28Å; K315-D319 IonicContact NZ-OD2 2.89Å; K315-D319 PolarHBondContact NZ-OD2 3.45Å; K315-L382 HydrophobicContact CB-CD2 4.22Å; K315-Y491 HydrophobicContact CD-CD1 4.48Å; K315-Y491 HydrophobicContact CD-CE1 3.83Å; K315-Y491 HydrophobicContact CD-CE2 4.36Å; K315-Y491 VanDerWaalsContact CE-OH 3.26Å; K315-Y491 WeakPolarHBondContact CE-OH 3.43Å |
| 316 | A | 96.1 | Very high | 97.4 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | trans | 53.3 | 44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q262 V311 | Q262-A316 PolarHBondContact NE2-O 2.77Å; V311-A316 WeakPolarHBondContact O-CA 3.5Å; V311-A316 PolarHBondContact O-N 3.4Å | ||
| 317 | Q | 96.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -110.5 | -3.8 | -176.4 | -61.5 | 179.8 | -15.3 | 0 | 0 | 114.8 | M256 F261 K315 | M256-Q317 PolarHBondContact O-NE2 2.98Å; F261-Q317 HydrophobicContact CB-CG 4.3Å; F261-Q317 HydrophobicContact CD1-CB 4.12Å; F261-Q317 HydrophobicContact CD1-CG 3.6Å; F261-Q317 HydrophobicContact CD2-CG 4.16Å; F261-Q317 HydrophobicContact CE1-CB 3.79Å; F261-Q317 HydrophobicContact CE1-CG 3.82Å; F261-Q317 HydrophobicContact CE2-CB 4.39Å; F261-Q317 HydrophobicContact CE2-CG 4.36Å; F261-Q317 HydrophobicContact CG-CG 3.75Å; F261-Q317 HydrophobicContact CZ-CB 3.91Å; F261-Q317 HydrophobicContact CZ-CG 4.17Å; K315-Q317 HydrophobicContact CG-CB 4.22Å; K315-Q317 HydrophobicContact CG-CG 3.91Å; K315-Q317 WeakPolarHBondContact O-CG 3.19Å; K315-Q317 PolarHBondContact O-N 3.19Å |
| 318 | G | 94.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 53% | 0.526 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 114.9 | -1.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V494 | G318-V494 VanDerWaalsContact O-CG1 3.27Å; G318-V494 WeakPolarHBondContact O-CG1 3.19Å |
| 319 | D | 98.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | trans | -64.4 | 156.9 | 177.5 | -38.6 | -96.7 | 0 | 0 | 0 | 111.9 | V311 K315 Y491 Y492 V494 | V311-D319 HydrophobicContact CG1-CB 4.07Å; V311-D319 WeakPolarHBondContact CG1-O 3.31Å; K315-D319 WeakPolarHBondContact CD-OD2 3.47Å; K315-D319 WeakPolarHBondContact CE-OD2 3.32Å; K315-D319 IonicContact NZ-OD1 3.83Å; K315-D319 PolarHBondContact NZ-OD1 3.28Å; K315-D319 IonicContact NZ-OD2 2.89Å; K315-D319 PolarHBondContact NZ-OD2 3.45Å; D319-Y491 HydrophobicContact CB-CD2 3.62Å; D319-Y491 HydrophobicContact CB-CE2 4.27Å; D319-Y491 HydrophobicContact CB-CG 3.93Å; D319-Y491 WeakPolarHBondContact OD1-CE2 3.3Å; D319-Y492 WeakPolarHBondContact CA-O 3.49Å; D319-Y492 WeakPolarHBondContact CB-O 3.36Å; D319-V494 PolarHBondContact OD1-N 3.17Å | ||
| 320 | M | 97.5 | Very high | 97.1 | Very high | 92 Ų | 92 | 31.5 Ų | 31.5 | 45% | 0.453 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.2 | 179.3 | -67.1 | -174.3 | -71.1 | 0 | 0 | 111.1 | A322 Y329 Y491 Y492 | M320-A322 PolarHBondContact O-N 3.44Å; M320-Y329 HydrophobicContact CE-CD1 3.64Å; M320-Y329 HydrophobicContact CE-CE1 3.26Å; M320-Y491 CarbonylContact O-C 3.56Å; M320-Y491 WeakPolarHBondContact O-CA 3.28Å; M320-Y491 WeakPolarHBondContact O-CB 3.32Å; M320-Y492 HydrophobicContact CB-CD2 4.21Å; M320-Y492 PolarHBondContact N-O 2.92Å; M320-Y492 VanDerWaalsContact N-O 3.12Å; M320-Y492 PolarHBondContact O-N 2.77Å |
| 321 | P | 98.3 | Very high | 97 | Very high | 38 Ų | 38 | 35.3 Ų | 35.3 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 124.8 | 174.6 | -28.6 | 37 | 0 | 0 | 0 | 112.7 | R307 V311 F341 | R307-P321 HydrophobicContact CB-CB 4.01Å; V311-P321 HydrophobicContact CB-CG 4.15Å; V311-P321 HydrophobicContact CG1-CG 4.15Å; V311-P321 HydrophobicContact CG2-CG 4.33Å; P321-F341 HydrophobicContact CB-CE2 4.29Å; P321-F341 HydrophobicContact CB-CZ 4.06Å |
| 322 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -91.5 | 145.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T280 R307 M320 P489 V490 Y492 | T280-A322 HydrophobicContact CG2-CB 4.37Å; R307-A322 VanDerWaalsContact CD-O 3.22Å; R307-A322 WeakPolarHBondContact CD-O 3.39Å; R307-A322 PolarHBondContact NE-O 2.88Å; M320-A322 PolarHBondContact O-N 3.44Å; A322-P489 HydrophobicContact CB-CB 3.78Å; A322-V490 PolarHBondContact N-O 3.36Å; A322-Y492 HydrophobicContact CB-CD1 3.88Å; A322-Y492 HydrophobicContact CB-CD2 4.17Å; A322-Y492 HydrophobicContact CB-CE1 3.61Å; A322-Y492 HydrophobicContact CB-CE2 3.94Å; A322-Y492 HydrophobicContact CB-CG 4.15Å | ||
| 323 | Y | 97.9 | Very high | 96.5 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -126.6 | -9.8 | 178.7 | 58.9 | -98.6 | 0 | 0 | 0 | 113.5 | P328 L335 Q337 F341 Y492 | Y323-P328 HydrophobicContact CE1-CG 4.43Å; Y323-P328 VanDerWaalsContact OH-CB 3.32Å; Y323-P328 WeakPolarHBondContact OH-CB 3.01Å; Y323-L335 HydrophobicContact CE2-CB 4.2Å; Y323-Q337 HydrophobicContact CD1-CG 3.85Å; Y323-Q337 HydrophobicContact CD2-CB 4.49Å; Y323-Q337 HydrophobicContact CD2-CG 4.09Å; Y323-Q337 HydrophobicContact CE1-CG 3.61Å; Y323-Q337 HydrophobicContact CE2-CB 4.49Å; Y323-Q337 HydrophobicContact CE2-CG 3.85Å; Y323-Q337 HydrophobicContact CG-CG 4.07Å; Y323-F341 HydrophobicContact CD1-CD1 4.33Å; Y323-F341 HydrophobicContact CD1-CE1 4.05Å; Y323-F341 HydrophobicContact CD1-CZ 4.14Å; Y323-Y492 HydrophobicContact CD1-CE2 4.24Å; Y323-Y492 HydrophobicContact CE1-CE2 4.11Å; Y323-Y492 PolarHBondContact N-OH 3.18Å |
| 324 | G | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -141 | -177.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | E478 P489 Y492 | G324-E478 WeakPolarHBondContact CA-OE2 3.43Å; G324-P489 WeakPolarHBondContact O-CB 3.26Å; G324-Y492 PolarHBondContact N-OH 3.16Å; G324-Y492 VanDerWaalsContact N-OH 3.1Å |
| 325 | Y | 98.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -85.2 | -46.5 | -179.6 | -177.2 | -140.3 | 0 | 0 | 0 | 112 | T280 Y282 W424 F434 T437 M438 E478 I487 | T280-Y325 VanDerWaalsContact CB-O 3.23Å; T280-Y325 WeakPolarHBondContact CB-O 3.41Å; T280-Y325 PolarHBondContact OG1-O 3.01Å; Y282-Y325 HydrophobicContact CD1-CD2 4.35Å; Y282-Y325 HydrophobicContact CD1-CE2 4.03Å; Y282-Y325 HydrophobicContact CE1-CD2 4.28Å; Y282-Y325 AromaticContact CE1-CE2 3.53Å; Y282-Y325 HydrophobicContact CE1-CE2 3.53Å; Y282-Y325 AromaticContact CZ-CE2 3.86Å; Y325-W424 HydrophobicContact CE2-CB 3.8Å; Y325-W424 HydrophobicContact CE2-CG 4.36Å; Y325-W424 AromaticContact CZ-CG 3.95Å; Y325-W424 VanDerWaalsContact OH-CB 3.24Å; Y325-W424 WeakPolarHBondContact OH-CB 3.43Å; Y325-F434 HydrophobicContact CD1-CB 4Å; Y325-F434 HydrophobicContact CD2-CD1 4.44Å; Y325-F434 HydrophobicContact CE1-CB 4.01Å; Y325-F434 HydrophobicContact CE1-CD1 4.45Å; Y325-F434 VanDerWaalsContact CE1-O 3.24Å; Y325-F434 WeakPolarHBondContact CE1-O 3.35Å; Y325-F434 HydrophobicContact CE2-CD1 4.33Å; Y325-F434 WeakPolarHBondContact O-CD1 3.48Å; Y325-T437 VanDerWaalsContact CE1-OG1 3.25Å; Y325-T437 WeakPolarHBondContact CE1-OG1 3.32Å; Y325-T437 PolarHBondContact OH-OG1 3.29Å; Y325-M438 HydrophobicContact CD1-CE 4.02Å; Y325-M438 HydrophobicContact CD1-CG 4.07Å; Y325-M438 HydrophobicContact CD2-CE 4.47Å; Y325-M438 HydrophobicContact CE1-CE 3.68Å; Y325-M438 HydrophobicContact CE1-CG 3.91Å; Y325-M438 HydrophobicContact CE2-CE 4.21Å; Y325-M438 HydrophobicContact CG-CE 4.39Å; Y325-E478 PolarHBondContact N-OE1 3.46Å; Y325-E478 PolarHBondContact N-OE2 2.86Å; Y325-I487 HydrophobicContact CD2-CD1 3.51Å; Y325-I487 HydrophobicContact CE2-CD1 4.34Å; Y325-I487 HydrophobicContact CG-CD1 3.85Å |
| 326 | T | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -76.9 | 128.5 | 176.4 | -51.3 | 0 | 0 | 0 | 0 | 110 | T330 L335 P431 F434 E478 | T326-T330 HydrophobicContact CG2-CG2 4.39Å; T326-L335 WeakPolarHBondContact O-CD1 3.28Å; T326-P431 HydrophobicContact CG2-CB 4.06Å; T326-F434 HydrophobicContact CG2-CB 4.34Å; T326-F434 HydrophobicContact CG2-CD2 3.94Å; T326-F434 HydrophobicContact CG2-CG 4.19Å; T326-F434 WeakPolarHBondContact OG1-CB 3.39Å; T326-E478 WeakPolarHBondContact CA-OE1 3.22Å; T326-E478 WeakPolarHBondContact CB-OE1 3.27Å; T326-E478 PolarHBondContact N-OE1 2.58Å; T326-E478 PolarHBondContact OG1-OE1 3.23Å |
| 327 | P | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -56.6 | 134.8 | 170.9 | -25.4 | 34 | 0 | 0 | 0 | 111.4 | L278 Y329 T330 F434 Y492 | L278-P327 HydrophobicContact CD2-CB 4.06Å; L278-P327 HydrophobicContact CD2-CG 4.35Å; P327-Y329 HydrophobicContact CB-CD1 4.14Å; P327-Y329 HydrophobicContact CB-CD2 4.36Å; P327-Y329 HydrophobicContact CB-CE1 3.73Å; P327-Y329 HydrophobicContact CB-CE2 4.01Å; P327-Y329 HydrophobicContact CB-CG 4.43Å; P327-Y329 PolarHBondContact O-N 3.5Å; P327-T330 WeakPolarHBondContact O-CB 3.4Å; P327-T330 PolarHBondContact O-N 2.89Å; P327-T330 PolarHBondContact O-OG1 3.25Å; P327-F434 VanDerWaalsContact CD-CE2 3.42Å; P327-F434 HydrophobicContact CG-CE1 3.92Å; P327-F434 HydrophobicContact CG-CE2 4.1Å; P327-F434 HydrophobicContact CG-CZ 3.52Å; P327-Y492 HydrophobicContact CB-CD1 4.02Å; P327-Y492 HydrophobicContact CB-CG 4.45Å; P327-Y492 HydrophobicContact CG-CD1 4.08Å | ||
| 328 | P | 96.6 | Very high | 95.7 | Very high | 40 Ų | 40 | 41 Ų | 41 | 26% | 0.26 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -6.9 | -175.9 | 28.1 | -35.8 | 0 | 0 | 0 | 113.7 | Y323 Y492 | Y323-P328 HydrophobicContact CE1-CG 4.43Å; Y323-P328 VanDerWaalsContact OH-CB 3.32Å; Y323-P328 WeakPolarHBondContact OH-CB 3.01Å; P328-Y492 VanDerWaalsContact CD-CZ 3.4Å; P328-Y492 HydrophobicContact CG-CD2 4.23Å; P328-Y492 HydrophobicContact CG-CE2 3.8Å |
| 329 | Y | 94.7 | Very high | 95.8 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 30% | 0.302 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 9.9 | 176.2 | 52.5 | -88.7 | 0 | 0 | 0 | 112.7 | Y277 L278 M320 P327 Y492 Y493 | Y277-Y329 WeakPolarHBondContact O-CE2 3.13Å; Y277-Y329 PolarHBondContact O-OH 2.76Å; L278-Y329 HydrophobicContact CD2-CD2 3.52Å; L278-Y329 HydrophobicContact CD2-CE2 3.56Å; L278-Y329 HydrophobicContact CG-CD2 4.44Å; L278-Y329 HydrophobicContact CG-CE2 4.25Å; M320-Y329 HydrophobicContact CE-CD1 3.64Å; M320-Y329 HydrophobicContact CE-CE1 3.26Å; P327-Y329 HydrophobicContact CB-CD1 4.14Å; P327-Y329 HydrophobicContact CB-CD2 4.36Å; P327-Y329 HydrophobicContact CB-CE1 3.73Å; P327-Y329 HydrophobicContact CB-CE2 4.01Å; P327-Y329 HydrophobicContact CB-CG 4.43Å; P327-Y329 PolarHBondContact O-N 3.5Å; Y329-Y492 HydrophobicContact CE1-CG 4.26Å; Y329-Y492 WeakPolarHBondContact OH-CB 3.46Å; Y329-Y493 PolarHBondContact OH-O 3.1Å |
| 330 | T | 97 | Very high | 95.8 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -62.4 | 139.4 | 164.4 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | L278 T326 P327 G332 A333 P431 | L278-T330 WeakPolarHBondContact CD2-OG1 3.46Å; T326-T330 HydrophobicContact CG2-CG2 4.39Å; P327-T330 WeakPolarHBondContact O-CB 3.4Å; P327-T330 PolarHBondContact O-N 2.89Å; P327-T330 PolarHBondContact O-OG1 3.25Å; T330-G332 PolarHBondContact O-N 2.63Å; T330-A333 VanDerWaalsContact O-CB 3.27Å; T330-A333 WeakPolarHBondContact O-CB 3.26Å; T330-A333 PolarHBondContact O-N 3.01Å; T330-P431 HydrophobicContact CG2-CG 4.19Å |
| 331 | D | 94.5 | Very high | 95.8 | Very high | 81 Ų | 81 | 44.5 Ų | 44.5 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 130 | 174.6 | -176.1 | 18.9 | 0 | 0 | 0 | 110.2 | K165 A333 N429 P431 | K165-D331 IonicContact NZ-OD2 3.85Å; K165-D331 PolarHBondContact NZ-OD2 3.22Å; D331-A333 VanDerWaalsContact C-N 3.33Å; D331-A333 PolarHBondContact O-N 2.85Å; D331-N429 WeakPolarHBondContact CB-OD1 3.16Å; D331-N429 PolarHBondContact N-OD1 2.82Å; D331-P431 VanDerWaalsContact O-CD 3.23Å; D331-P431 WeakPolarHBondContact O-CD 3.05Å |
| 332 | G | 92.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -1.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | T330 T471 | T330-G332 PolarHBondContact O-N 2.63Å; G332-T471 WeakPolarHBondContact O-CG2 3.42Å; G332-T471 PolarHBondContact O-OG1 3.37Å |
| 333 | A | 93.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -86.1 | 126.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | T330 D331 L335 P431 | T330-A333 VanDerWaalsContact O-CB 3.27Å; T330-A333 WeakPolarHBondContact O-CB 3.26Å; T330-A333 PolarHBondContact O-N 3.01Å; D331-A333 VanDerWaalsContact C-N 3.33Å; D331-A333 PolarHBondContact O-N 2.85Å; A333-L335 HydrophobicContact CB-CG 4.28Å; A333-P431 HydrophobicContact CB-CG 4.14Å | ||
| 334 | K | 92 | Very high | 95.7 | Very high | 159 Ų | 159 | 51.3 Ų | 51.3 | 69% | 0.691 | 28% | 0.279 | S | S | * | . | trans | -130.9 | 64.5 | 167.7 | -64.1 | -176.6 | -176.8 | 173.6 | 0 | 110.1 | T471 T475 | K334-T471 HydrophobicContact CB-CG2 3.63Å; K334-T471 HydrophobicContact CD-CG2 4.04Å; K334-T471 HydrophobicContact CG-CG2 3.8Å; K334-T475 PolarHBondContact O-OG1 3.13Å | ||
| 335 | L | 91.6 | Very high | 95.7 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 140.6 | -172.7 | -53.1 | -177.5 | 0 | 0 | 0 | 111.5 | Y323 T326 A333 E478 | Y323-L335 HydrophobicContact CE2-CB 4.2Å; T326-L335 WeakPolarHBondContact O-CD1 3.28Å; A333-L335 HydrophobicContact CB-CG 4.28Å; L335-E478 HydrophobicContact CD1-CG 4.15Å; L335-E478 HydrophobicContact CD2-CB 4.35Å; L335-E478 HydrophobicContact CD2-CG 3.78Å |
| 336 | T | 89.4 | Confident | 95.7 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 131.7 | 172.9 | -54.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 337 | Q | 94 | Very high | 95.7 | Very high | 109 Ų | 109 | 62.3 Ų | 62.3 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 131.2 | 174.7 | -70.6 | -178.7 | 2.5 | 0 | 0 | 110.1 | Y323 F341 | Y323-Q337 HydrophobicContact CD1-CG 3.85Å; Y323-Q337 HydrophobicContact CD2-CB 4.49Å; Y323-Q337 HydrophobicContact CD2-CG 4.09Å; Y323-Q337 HydrophobicContact CE1-CG 3.61Å; Y323-Q337 HydrophobicContact CE2-CB 4.49Å; Y323-Q337 HydrophobicContact CE2-CG 3.85Å; Y323-Q337 HydrophobicContact CG-CG 4.07Å; Q337-F341 HydrophobicContact CG-CD1 4.3Å |
| 338 | P | 96.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 147.9 | 174.2 | 30.2 | -35.4 | 0 | 0 | 0 | 110.3 | W340 F341 D482 | P338-W340 HydrophobicContact CB-CG 4.43Å; P338-W340 HydrophobicContact CG-CD2 4.24Å; P338-W340 VanDerWaalsContact CG-CE2 3.45Å; P338-W340 HydrophobicContact CG-CG 4.45Å; P338-W340 HydrophobicContact CG-CZ2 3.73Å; P338-W340 PolarHBondContact O-N 2.86Å; P338-W340 VanDerWaalsContact O-N 3.08Å; P338-F341 HydrophobicContact CG-CB 4.35Å; P338-F341 WeakPolarHBondContact O-CB 3.31Å; P338-F341 PolarHBondContact O-N 3.04Å; P338-D482 WeakPolarHBondContact CB-OD2 3.23Å |
| 339 | E | 96.7 | Very high | 95.8 | Very high | 160 Ų | 160 | 62.8 Ų | 62.8 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -54.9 | -35.4 | -173.7 | -65.8 | -171.2 | 169.6 | 0 | 0 | 113.5 | F341 G342 W343 | E339-F341 PolarHBondContact O-N 2.64Å; E339-G342 PolarHBondContact O-N 2.96Å; E339-G342 VanDerWaalsContact O-N 3.07Å; E339-W343 VanDerWaalsContact O-CD1 3.23Å; E339-W343 PolarHBondContact O-NE1 2.91Å |
| 340 | W | 98 | Very high | 96 | Very high | 15 Ų | 15 | 65.6 Ų | 65.6 | 6% | 0.057 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -61.5 | -25.1 | -179.1 | 66.8 | -104.2 | 0 | 0 | 0 | 113.3 | K302 L303 P338 G342 W343 R348 D482 | K302-W340 HydrophobicContact CD-CZ2 4.2Å; K302-W340 HydrophobicContact CG-CZ2 4.48Å; L303-W340 HydrophobicContact CD2-CB 3.64Å; L303-W340 HydrophobicContact CD2-CD2 3.89Å; L303-W340 HydrophobicContact CD2-CE3 4.02Å; L303-W340 HydrophobicContact CD2-CG 3.73Å; P338-W340 HydrophobicContact CB-CG 4.43Å; P338-W340 HydrophobicContact CG-CD2 4.24Å; P338-W340 VanDerWaalsContact CG-CE2 3.45Å; P338-W340 HydrophobicContact CG-CG 4.45Å; P338-W340 HydrophobicContact CG-CZ2 3.73Å; P338-W340 PolarHBondContact O-N 2.86Å; P338-W340 VanDerWaalsContact O-N 3.08Å; W340-G342 VanDerWaalsContact C-N 3.31Å; W340-W343 HydrophobicContact CB-CD2 4.26Å; W340-W343 HydrophobicContact CB-CE3 3.98Å; W340-W343 HydrophobicContact CB-CH2 4.19Å; W340-W343 HydrophobicContact CB-CZ2 4.45Å; W340-W343 HydrophobicContact CB-CZ3 3.94Å; W340-W343 PolarHBondContact O-N 3.21Å; W340-R348 WeakPolarHBondContact O-CD 3.2Å; W340-R348 PolarHBondContact O-NH1 2.81Å; W340-D482 VanDerWaalsContact NE1-CG 3.33Å; W340-D482 PolarHBondContact NE1-OD1 3.34Å; W340-D482 PolarHBondContact NE1-OD2 3.09Å |
| 341 | F | 97.6 | Very high | 96 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -70.9 | -31.1 | 178.6 | -168.1 | -107.2 | 0 | 0 | 0 | 111.5 | P321 Y323 Q337 P338 E339 R348 | P321-F341 HydrophobicContact CB-CE2 4.29Å; P321-F341 HydrophobicContact CB-CZ 4.06Å; Y323-F341 HydrophobicContact CD1-CD1 4.33Å; Y323-F341 HydrophobicContact CD1-CE1 4.05Å; Y323-F341 HydrophobicContact CD1-CZ 4.14Å; Q337-F341 HydrophobicContact CG-CD1 4.3Å; P338-F341 HydrophobicContact CG-CB 4.35Å; P338-F341 WeakPolarHBondContact O-CB 3.31Å; P338-F341 PolarHBondContact O-N 3.04Å; E339-F341 PolarHBondContact O-N 2.64Å; F341-R348 PolarHBondContact O-NH1 3.45Å |
| 342 | G | 96.2 | Very high | 96.2 | Very high | 68 Ų | 68 | 64.6 Ų | 64.6 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -80.2 | -9.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | E339 W340 | E339-G342 PolarHBondContact O-N 2.96Å; E339-G342 VanDerWaalsContact O-N 3.07Å; W340-G342 VanDerWaalsContact C-N 3.31Å |
| 343 | W | 98.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 69 Ų | 69 | 28% | 0.284 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -72.7 | 163.4 | 175.8 | -60.6 | -7.7 | 0 | 0 | 0 | 112 | E339 W340 K347 R348 | E339-W343 VanDerWaalsContact O-CD1 3.23Å; E339-W343 PolarHBondContact O-NE1 2.91Å; W340-W343 HydrophobicContact CB-CD2 4.26Å; W340-W343 HydrophobicContact CB-CE3 3.98Å; W340-W343 HydrophobicContact CB-CH2 4.19Å; W340-W343 HydrophobicContact CB-CZ2 4.45Å; W340-W343 HydrophobicContact CB-CZ3 3.94Å; W340-W343 PolarHBondContact O-N 3.21Å; W343-K347 HydrophobicContact CB-CB 4.35Å; W343-K347 HydrophobicContact CB-CD 4.04Å; W343-K347 HydrophobicContact CB-CG 4.39Å; W343-K347 HydrophobicContact CD2-CD 3.92Å; W343-K347 HydrophobicContact CD2-CG 4.3Å; W343-K347 HydrophobicContact CE3-CD 4.28Å; W343-K347 HydrophobicContact CE3-CG 4.16Å; W343-K347 HydrophobicContact CG-CD 3.79Å; W343-K347 HydrophobicContact CG-CG 4.4Å; W343-R348 HydrophobicContact CB-CG 4.24Å; W343-R348 HydrophobicContact CE3-CG 4.11Å; W343-R348 PolarHBondContact O-NH1 3.03Å |
| 344 | S | 98 | Very high | 96.7 | Very high | 60 Ų | 60 | 73.2 Ų | 73.2 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | trans | -70.3 | 158.8 | 165.6 | 85.4 | 0 | 0 | 0 | 0 | 111 | E346 K347 R348 | S344-E346 VanDerWaalsContact C-N 3.25Å; S344-E346 WeakPolarHBondContact CB-OE2 3.48Å; S344-E346 PolarHBondContact O-N 3.38Å; S344-E346 PolarHBondContact OG-N 3.31Å; S344-E346 PolarHBondContact OG-OE2 3.01Å; S344-K347 PolarHBondContact O-N 3.11Å; S344-K347 PolarHBondContact OG-N 3.04Å; S344-R348 PolarHBondContact O-N 2.92Å; S344-R348 VanDerWaalsContact O-N 3.15Å | ||
| 345 | Q | 98.1 | Very high | 97 | Very high | 17 Ų | 17 | 66.7 Ų | 66.7 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -32.4 | 177.2 | -171.6 | 61 | 42.3 | 0 | 0 | 111.5 | L303 D306 R348 N349 | L303-Q345 PolarHBondContact O-NE2 2.97Å; D306-Q345 HydrophobicContact CB-CG 4.07Å; Q345-R348 PolarHBondContact O-N 3.31Å; Q345-R348 VanDerWaalsContact OE1-CZ 3.31Å; Q345-N349 PolarHBondContact NE2-OD1 3.13Å; Q345-N349 WeakPolarHBondContact O-CB 3.29Å; Q345-N349 PolarHBondContact O-N 2.77Å; Q345-N349 PolarHBondContact O-ND2 2.85Å; Q345-N349 PolarHBondContact O-OD1 3.28Å |
| 346 | E | 97.8 | Very high | 97.3 | Very high | 122 Ų | 122 | 65.9 Ų | 65.9 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.7 | -49.6 | 175.7 | -61.2 | 72 | -155.6 | 0 | 0 | 110.9 | S344 R348 N349 E350 | S344-E346 VanDerWaalsContact C-N 3.25Å; S344-E346 WeakPolarHBondContact CB-OE2 3.48Å; S344-E346 PolarHBondContact O-N 3.38Å; S344-E346 PolarHBondContact OG-N 3.31Å; S344-E346 PolarHBondContact OG-OE2 3.01Å; E346-R348 VanDerWaalsContact C-N 3.34Å; E346-R348 PolarHBondContact O-N 2.82Å; E346-N349 WeakPolarHBondContact O-CB 3.4Å; E346-N349 PolarHBondContact O-N 2.86Å; E346-N349 VanDerWaalsContact O-N 3.12Å; E346-E350 WeakPolarHBondContact O-CG 3.34Å; E346-E350 PolarHBondContact O-N 3.02Å |
| 347 | K | 98.3 | Very high | 97.7 | Very high | 101 Ų | 101 | 64.2 Ų | 64.2 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 177.1 | -178.8 | 176.2 | 176.5 | -170 | 0 | 111.9 | W343 S344 N349 E350 E351 | W343-K347 HydrophobicContact CB-CB 4.35Å; W343-K347 HydrophobicContact CB-CD 4.04Å; W343-K347 HydrophobicContact CB-CG 4.39Å; W343-K347 HydrophobicContact CD2-CD 3.92Å; W343-K347 HydrophobicContact CD2-CG 4.3Å; W343-K347 HydrophobicContact CE3-CD 4.28Å; W343-K347 HydrophobicContact CE3-CG 4.16Å; W343-K347 HydrophobicContact CG-CD 3.79Å; W343-K347 HydrophobicContact CG-CG 4.4Å; S344-K347 PolarHBondContact O-N 3.11Å; S344-K347 PolarHBondContact OG-N 3.04Å; K347-N349 VanDerWaalsContact C-N 3.32Å; K347-N349 PolarHBondContact O-N 2.94Å; K347-E350 PolarHBondContact O-N 3.13Å; K347-E351 PolarHBondContact O-N 2.96Å; K347-E351 VanDerWaalsContact O-N 3.14Å |
| 348 | R | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 63.7 Ų | 63.7 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.3 | -74 | -167 | -73.8 | -86.5 | -4 | 112.2 | L303 W340 F341 W343 S344 Q345 E346 A352 | L303-R348 HydrophobicContact CB-CB 4.2Å; L303-R348 HydrophobicContact CD2-CG 4.2Å; L303-R348 WeakPolarHBondContact O-CB 3.39Å; W340-R348 WeakPolarHBondContact O-CD 3.2Å; W340-R348 PolarHBondContact O-NH1 2.81Å; F341-R348 PolarHBondContact O-NH1 3.45Å; W343-R348 HydrophobicContact CB-CG 4.24Å; W343-R348 HydrophobicContact CE3-CG 4.11Å; W343-R348 PolarHBondContact O-NH1 3.03Å; S344-R348 PolarHBondContact O-N 2.92Å; S344-R348 VanDerWaalsContact O-N 3.15Å; Q345-R348 PolarHBondContact O-N 3.31Å; Q345-R348 VanDerWaalsContact OE1-CZ 3.31Å; E346-R348 VanDerWaalsContact C-N 3.34Å; E346-R348 PolarHBondContact O-N 2.82Å; R348-A352 VanDerWaalsContact O-CB 3.23Å; R348-A352 WeakPolarHBondContact O-CB 3.44Å; R348-A352 PolarHBondContact O-N 3.11Å |
| 349 | N | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 178.8 | -65.7 | -18.2 | 0 | 0 | 0 | 111.8 | Q345 E346 K347 A352 K353 N393 | Q345-N349 PolarHBondContact NE2-OD1 3.13Å; Q345-N349 WeakPolarHBondContact O-CB 3.29Å; Q345-N349 PolarHBondContact O-N 2.77Å; Q345-N349 PolarHBondContact O-ND2 2.85Å; Q345-N349 PolarHBondContact O-OD1 3.28Å; E346-N349 WeakPolarHBondContact O-CB 3.4Å; E346-N349 PolarHBondContact O-N 2.86Å; E346-N349 VanDerWaalsContact O-N 3.12Å; K347-N349 VanDerWaalsContact C-N 3.32Å; K347-N349 PolarHBondContact O-N 2.94Å; N349-A352 PolarHBondContact O-N 3.23Å; N349-K353 VanDerWaalsContact O-CG 3.31Å; N349-K353 WeakPolarHBondContact O-CG 3.32Å; N349-K353 PolarHBondContact O-N 2.55Å; N349-N393 WeakPolarHBondContact OD1-CB 3.26Å |
| 350 | E | 98.2 | Very high | 97.9 | Very high | 137 Ų | 137 | 58 Ų | 58 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.8 | -50.9 | 175.6 | -73.9 | 177 | 177 | 0 | 0 | 111.5 | E346 K347 A352 K353 K354 | E346-E350 WeakPolarHBondContact O-CG 3.34Å; E346-E350 PolarHBondContact O-N 3.02Å; K347-E350 PolarHBondContact O-N 3.13Å; E350-A352 VanDerWaalsContact C-N 3.33Å; E350-A352 PolarHBondContact O-N 3.31Å; E350-K353 PolarHBondContact O-N 3.15Å; E350-K354 PolarHBondContact O-N 2.87Å |
| 351 | E | 98.3 | Very high | 97.9 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.2 | -167.1 | 61.7 | -157.4 | 0 | 0 | 111.3 | L303 K347 K353 K354 L355 | L303-E351 HydrophobicContact CD1-CB 4.24Å; L303-E351 HydrophobicContact CD1-CG 4.24Å; K347-E351 PolarHBondContact O-N 2.96Å; K347-E351 VanDerWaalsContact O-N 3.14Å; E351-K353 PolarHBondContact O-N 2.95Å; E351-K354 WeakPolarHBondContact O-CB 3.43Å; E351-K354 PolarHBondContact O-N 2.84Å; E351-K354 IonicContact OE1-NZ 2.7Å; E351-K354 PolarHBondContact OE1-NZ 2.77Å; E351-K354 IonicContact OE2-NZ 2.68Å; E351-L355 HydrophobicContact CG-CD1 4.23Å; E351-L355 VanDerWaalsContact O-CG 3.29Å; E351-L355 WeakPolarHBondContact O-CG 3.33Å; E351-L355 PolarHBondContact O-N 2.89Å |
| 352 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A300 L303 R348 N349 E350 L355 L356 I394 | A300-A352 HydrophobicContact CB-CB 4.09Å; A300-A352 WeakPolarHBondContact CB-O 3.27Å; L303-A352 HydrophobicContact CB-CB 4Å; R348-A352 VanDerWaalsContact O-CB 3.23Å; R348-A352 WeakPolarHBondContact O-CB 3.44Å; R348-A352 PolarHBondContact O-N 3.11Å; N349-A352 PolarHBondContact O-N 3.23Å; E350-A352 VanDerWaalsContact C-N 3.33Å; E350-A352 PolarHBondContact O-N 3.31Å; A352-L355 PolarHBondContact O-N 2.56Å; A352-L356 PolarHBondContact O-N 3.29Å; A352-I394 HydrophobicContact CB-CG2 3.51Å |
| 353 | K | 97.9 | Very high | 97.4 | Very high | 113 Ų | 113 | 62.5 Ų | 62.5 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.4 | -74.8 | 176.2 | -168.8 | 178.5 | 0 | 111.7 | N349 E350 E351 L356 A357 N393 I394 | N349-K353 VanDerWaalsContact O-CG 3.31Å; N349-K353 WeakPolarHBondContact O-CG 3.32Å; N349-K353 PolarHBondContact O-N 2.55Å; E350-K353 PolarHBondContact O-N 3.15Å; E351-K353 PolarHBondContact O-N 2.95Å; K353-L356 PolarHBondContact O-N 2.74Å; K353-A357 WeakPolarHBondContact O-CB 3.46Å; K353-A357 PolarHBondContact O-N 3.12Å; K353-N393 WeakPolarHBondContact CE-O 3.2Å; K353-I394 HydrophobicContact CG-CG2 4.42Å |
| 354 | K | 98 | Very high | 97.1 | Very high | 100 Ų | 100 | 66.4 Ų | 66.4 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 175.8 | 176.5 | -172.7 | 159.3 | -148.5 | 0 | 111 | E350 E351 L356 A357 E358 | E350-K354 PolarHBondContact O-N 2.87Å; E351-K354 WeakPolarHBondContact O-CB 3.43Å; E351-K354 PolarHBondContact O-N 2.84Å; E351-K354 IonicContact OE1-NZ 2.7Å; E351-K354 PolarHBondContact OE1-NZ 2.77Å; E351-K354 IonicContact OE2-NZ 2.68Å; K354-L356 PolarHBondContact O-N 3.02Å; K354-A357 PolarHBondContact O-N 2.95Å; K354-E358 WeakPolarHBondContact CE-OE1 3.47Å; K354-E358 WeakPolarHBondContact O-CG 3.49Å; K354-E358 PolarHBondContact O-N 3.15Å |
| 355 | L | 98.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 70.4 Ų | 70.4 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 177.6 | -70.4 | 169 | 0 | 0 | 0 | 112.8 | R296 T299 A300 L303 E351 A352 A359 | R296-L355 HydrophobicContact CB-CB 4.27Å; R296-L355 HydrophobicContact CB-CD2 4.2Å; R296-L355 HydrophobicContact CG-CD2 4.06Å; T299-L355 HydrophobicContact CG2-CD1 3.6Å; A300-L355 HydrophobicContact CB-CB 4.33Å; L303-L355 HydrophobicContact CD1-CD1 4.36Å; E351-L355 HydrophobicContact CG-CD1 4.23Å; E351-L355 VanDerWaalsContact O-CG 3.29Å; E351-L355 WeakPolarHBondContact O-CG 3.33Å; E351-L355 PolarHBondContact O-N 2.89Å; A352-L355 PolarHBondContact O-N 2.56Å; L355-A359 WeakPolarHBondContact O-CB 3.24Å; L355-A359 PolarHBondContact O-N 2.68Å |
| 356 | L | 98 | Very high | 96.8 | Very high | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 174.1 | -77.2 | 177.3 | 0 | 0 | 0 | 112.6 | A300 A352 K353 K354 A359 G360 Y361 L367 I394 V396 | A300-L356 HydrophobicContact CB-CD1 4.14Å; A300-L356 HydrophobicContact CB-CD2 3.83Å; A300-L356 HydrophobicContact CB-CG 3.52Å; A352-L356 PolarHBondContact O-N 3.29Å; K353-L356 PolarHBondContact O-N 2.74Å; K354-L356 PolarHBondContact O-N 3.02Å; L356-A359 CarbonylContact O-C 3.56Å; L356-A359 PolarHBondContact O-N 3.19Å; L356-G360 PolarHBondContact O-N 3.36Å; L356-G360 VanDerWaalsContact O-N 3.16Å; L356-Y361 CarbonylContact C-O 3.57Å; L356-Y361 HydrophobicContact CD2-CD2 4.16Å; L356-Y361 PolarHBondContact O-N 3.39Å; L356-L367 HydrophobicContact CD2-CD2 4.09Å; L356-I394 HydrophobicContact CD1-CB 4Å; L356-I394 HydrophobicContact CD1-CD1 4.16Å; L356-I394 HydrophobicContact CD1-CG1 4.39Å; L356-V396 HydrophobicContact CD1-CG2 3.94Å |
| 357 | A | 97.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 65.9 Ų | 65.9 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K353 K354 A359 G360 Y361 | K353-A357 WeakPolarHBondContact O-CB 3.46Å; K353-A357 PolarHBondContact O-N 3.12Å; K354-A357 PolarHBondContact O-N 2.95Å; A357-A359 PolarHBondContact O-N 2.85Å; A357-G360 PolarHBondContact O-N 3.02Å; A357-Y361 WeakPolarHBondContact CA-O 3.48Å |
| 358 | E | 97.7 | Very high | 96.8 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -27.8 | 173.7 | -71.2 | 173.7 | -173.1 | 0 | 0 | 113 | R296 K354 G360 | R296-E358 PolarHBondContact NH1-O 2.92Å; K354-E358 WeakPolarHBondContact CE-OE1 3.47Å; K354-E358 WeakPolarHBondContact O-CG 3.49Å; K354-E358 PolarHBondContact O-N 3.15Å; E358-G360 VanDerWaalsContact C-N 3.29Å |
| 359 | A | 97.7 | Very high | 96.8 | Very high | 21 Ų | 21 | 64.1 Ų | 64.1 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 1.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R296 V297 L355 L356 A357 Y361 | R296-A359 HydrophobicContact CB-CB 4.41Å; V297-A359 HydrophobicContact CG2-CB 3.8Å; L355-A359 WeakPolarHBondContact O-CB 3.24Å; L355-A359 PolarHBondContact O-N 2.68Å; L356-A359 CarbonylContact O-C 3.56Å; L356-A359 PolarHBondContact O-N 3.19Å; A357-A359 PolarHBondContact O-N 2.85Å; A359-Y361 HydrophobicContact CB-CD2 4.15Å; A359-Y361 HydrophobicContact CB-CE2 4.39Å |
| 360 | G | 96.9 | Very high | 96.8 | Very high | 43 Ų | 43 | 66 Ų | 66 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 16.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L356 A357 E358 | L356-G360 PolarHBondContact O-N 3.36Å; L356-G360 VanDerWaalsContact O-N 3.16Å; A357-G360 PolarHBondContact O-N 3.02Å; E358-G360 VanDerWaalsContact C-N 3.29Å |
| 361 | Y | 97.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 21% | 0.208 | 33% | 0.334 | C | S | . | . | trans | -103.2 | 115.1 | 175.2 | -62.9 | -75.3 | 0 | 0 | 0 | 111.1 | P291 V297 L356 A357 A359 K365 L367 | P291-Y361 HydrophobicContact CB-CE2 4.4Å; P291-Y361 WeakPolarHBondContact CB-OH 3.08Å; P291-Y361 VanDerWaalsContact CG-OH 3.25Å; P291-Y361 WeakPolarHBondContact CG-OH 3.24Å; V297-Y361 HydrophobicContact CG2-CD2 4.41Å; V297-Y361 HydrophobicContact CG2-CE2 3.91Å; L356-Y361 CarbonylContact C-O 3.57Å; L356-Y361 HydrophobicContact CD2-CD2 4.16Å; L356-Y361 PolarHBondContact O-N 3.39Å; A357-Y361 WeakPolarHBondContact CA-O 3.48Å; A359-Y361 HydrophobicContact CB-CD2 4.15Å; A359-Y361 HydrophobicContact CB-CE2 4.39Å; Y361-K365 WeakPolarHBondContact CA-O 3.25Å; Y361-L367 VanDerWaalsContact CD1-CA 3.48Å; Y361-L367 HydrophobicContact CD1-CB 3.61Å; Y361-L367 HydrophobicContact CD1-CD1 4.29Å; Y361-L367 HydrophobicContact CD2-CB 4.33Å; Y361-L367 HydrophobicContact CE1-CB 3.91Å; Y361-L367 HydrophobicContact CE1-CD1 3.69Å; Y361-L367 HydrophobicContact CE1-CG 4.42Å; Y361-L367 HydrophobicContact CE2-CD1 4.11Å; Y361-L367 HydrophobicContact CG-CB 3.84Å | ||
| 362 | T | 92 | Very high | 96.8 | Very high | 75 Ų | 75 | 56.8 Ų | 56.8 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | trans | -116.2 | 179.4 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 110.6 | D364 K365 P366 | T362-D364 PolarHBondContact O-N 3.35Å; T362-D364 PolarHBondContact OG1-N 3.12Å; T362-K365 PolarHBondContact N-O 2.8Å; T362-K365 CarbonylContact O-C 3.56Å; T362-K365 PolarHBondContact O-N 2.84Å; T362-K365 PolarHBondContact OG1-N 3.07Å; T362-P366 WeakPolarHBondContact O-CA 3.24Å; T362-P366 VanDerWaalsContact O-N 3.13Å | ||
| 363 | A | 90.8 | Very high | 96.8 | Very high | 97 Ų | 97 | 57.2 Ų | 57.2 | 80% | 0.802 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -60.6 | -33.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 364 | D | 92.3 | Very high | 96.8 | Very high | 157 Ų | 157 | 52.6 Ų | 52.6 | 84% | 0.84 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -78.3 | -27.9 | 179.2 | -56.9 | -41.9 | 0 | 0 | 0 | 112.6 | T362 P366 | T362-D364 PolarHBondContact O-N 3.35Å; T362-D364 PolarHBondContact OG1-N 3.12Å; D364-P366 VanDerWaalsContact C-CD 3.49Å |
| 365 | K | 94.6 | Very high | 96.5 | Very high | 144 Ų | 144 | 50.7 Ų | 50.7 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -127.1 | 70.1 | 176.6 | -167.7 | -175.6 | 177.7 | -174 | 0 | 110.1 | Y361 T362 | Y361-K365 WeakPolarHBondContact CA-O 3.25Å; T362-K365 PolarHBondContact N-O 2.8Å; T362-K365 CarbonylContact O-C 3.56Å; T362-K365 PolarHBondContact O-N 2.84Å; T362-K365 PolarHBondContact OG1-N 3.07Å |
| 366 | P | 96 | Very high | 96.4 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 25% | 0.253 | 30% | 0.298 | S | S | . | . | trans | -69.9 | 143.5 | -177.7 | 29 | -35 | 0 | 0 | 0 | 110.9 | T362 D364 T368 N397 | T362-P366 WeakPolarHBondContact O-CA 3.24Å; T362-P366 VanDerWaalsContact O-N 3.13Å; D364-P366 VanDerWaalsContact C-CD 3.49Å; P366-T368 PolarHBondContact O-N 3.18Å; P366-T368 PolarHBondContact O-OG1 3.14Å; P366-N397 VanDerWaalsContact CG-ND2 3.29Å; P366-N397 WeakPolarHBondContact CG-ND2 3.5Å | ||
| 367 | L | 98 | Very high | 96 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | trans | -58.6 | 128.1 | 169.4 | 174.8 | 66.3 | 0 | 0 | 0 | 109 | P291 V297 L301 L356 Y361 I369 V396 N397 | P291-L367 HydrophobicContact CG-CD1 3.67Å; V297-L367 HydrophobicContact CG1-CD2 3.82Å; L301-L367 HydrophobicContact CD2-CD2 4.44Å; L356-L367 HydrophobicContact CD2-CD2 4.09Å; Y361-L367 VanDerWaalsContact CD1-CA 3.48Å; Y361-L367 HydrophobicContact CD1-CB 3.61Å; Y361-L367 HydrophobicContact CD1-CD1 4.29Å; Y361-L367 HydrophobicContact CD2-CB 4.33Å; Y361-L367 HydrophobicContact CE1-CB 3.91Å; Y361-L367 HydrophobicContact CE1-CD1 3.69Å; Y361-L367 HydrophobicContact CE1-CG 4.42Å; Y361-L367 HydrophobicContact CE2-CD1 4.11Å; Y361-L367 HydrophobicContact CG-CB 3.84Å; L367-I369 HydrophobicContact CD1-CG2 4Å; L367-I369 HydrophobicContact CD2-CG2 4.04Å; L367-I369 HydrophobicContact CG-CG2 3.76Å; L367-V396 HydrophobicContact CB-CG1 4.48Å; L367-V396 HydrophobicContact CB-CG2 4.21Å; L367-V396 HydrophobicContact CD2-CG1 4.31Å; L367-V396 HydrophobicContact CD2-CG2 4.08Å; L367-V396 HydrophobicContact CG-CG1 4.29Å; L367-V396 CarbonylContact O-C 3.38Å; L367-V396 WeakPolarHBondContact O-CA 3.42Å; L367-N397 PolarHBondContact O-N 3.09Å | ||
| 368 | T | 98.1 | Very high | 95.9 | Very high | 92 Ų | 92 | 47.5 Ų | 47.5 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.3 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | P366 N397 | P366-T368 PolarHBondContact O-N 3.18Å; P366-T368 PolarHBondContact O-OG1 3.14Å; T368-N397 CarbonylContact C-O 3.56Å; T368-N397 VanDerWaalsContact CA-O 3.27Å; T368-N397 WeakPolarHBondContact CA-O 3.26Å; T368-N397 HydrophobicContact CG2-CB 4.07Å |
| 369 | I | 98 | Very high | 96 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149 | -175.1 | 69.6 | 177.8 | 0 | 0 | 0 | 110.9 | F292 L301 L367 V396 N397 V398 K399 V419 | F292-I369 HydrophobicContact CE1-CG2 3.84Å; F292-I369 HydrophobicContact CZ-CB 4.08Å; F292-I369 HydrophobicContact CZ-CG2 3.54Å; L301-I369 HydrophobicContact CD2-CD1 4.39Å; L367-I369 HydrophobicContact CD1-CG2 4Å; L367-I369 HydrophobicContact CD2-CG2 4.04Å; L367-I369 HydrophobicContact CG-CG2 3.76Å; I369-V396 HydrophobicContact CD1-CG1 4.09Å; I369-V396 HydrophobicContact CG1-CG1 4.14Å; I369-V396 HydrophobicContact CG2-CG1 4.4Å; I369-N397 PolarHBondContact N-O 3.18Å; I369-V398 HydrophobicContact CD1-CG1 4.48Å; I369-V398 HydrophobicContact CD1-CG2 3.99Å; I369-V398 HydrophobicContact CG1-CB 4.27Å; I369-V398 HydrophobicContact CG1-CG1 4.12Å; I369-V398 HydrophobicContact CG1-CG2 3.87Å; I369-V398 CarbonylContact O-C 3.5Å; I369-V398 WeakPolarHBondContact O-CA 3.36Å; I369-K399 PolarHBondContact O-N 2.88Å; I369-V419 HydrophobicContact CD1-CG2 4.05Å |
| 370 | N | 98.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.6 | 161.9 | -59 | -71.9 | 0 | 0 | 0 | 109.7 | K399 V401 D418 V419 | N370-K399 CarbonylContact C-O 3.53Å; N370-K399 VanDerWaalsContact CA-O 3.29Å; N370-K399 WeakPolarHBondContact CA-O 3.26Å; N370-K399 WeakPolarHBondContact OD1-CD 3.43Å; N370-V401 HydrophobicContact CB-CG2 4.26Å; N370-D418 HydrophobicContact CB-CB 4.43Å; N370-D418 WeakPolarHBondContact CB-OD2 3.38Å; N370-D418 PolarHBondContact N-OD2 3.07Å; N370-D418 PolarHBondContact ND2-OD2 2.87Å; N370-D418 WeakPolarHBondContact O-CB 3.33Å; N370-V419 PolarHBondContact O-N 3.39Å |
| 371 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 103.7 | 170.3 | 176.4 | 60.5 | 0 | 0 | 0 | 109 | Y283 A383 W390 V398 K399 L400 V401 V419 | Y283-L371 HydrophobicContact CD1-CD1 3.48Å; Y283-L371 VanDerWaalsContact CD1-CD1 3.48Å; Y283-L371 HydrophobicContact CD1-CD2 4.48Å; Y283-L371 HydrophobicContact CE1-CD1 3.57Å; Y283-L371 HydrophobicContact CE1-CD2 3.82Å; Y283-L371 HydrophobicContact CE1-CG 4.24Å; Y283-L371 HydrophobicContact CG-CD1 4.46Å; L371-A383 HydrophobicContact CD2-CB 3.7Å; L371-A383 HydrophobicContact CG-CB 4.46Å; L371-W390 HydrophobicContact CD2-CZ3 4.2Å; L371-V398 HydrophobicContact CB-CG1 3.46Å; L371-V398 VanDerWaalsContact CB-CG1 3.46Å; L371-V398 HydrophobicContact CD2-CG1 4.22Å; L371-V398 HydrophobicContact CG-CG1 4.5Å; L371-K399 PolarHBondContact N-O 3.36Å; L371-L400 HydrophobicContact CB-CD2 3.98Å; L371-L400 HydrophobicContact CD2-CD2 3.84Å; L371-L400 HydrophobicContact CG-CD2 4.25Å; L371-V401 PolarHBondContact O-N 2.88Å; L371-V419 WeakPolarHBondContact CA-O 3.48Å; L371-V419 HydrophobicContact CD1-CB 4.27Å; L371-V419 HydrophobicContact CD1-CG1 3.85Å |
| 372 | L | 98.7 | Very high | 95.9 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 138.5 | 177.1 | 177.1 | 64 | 0 | 0 | 0 | 110.6 | V401 Q403 F408 T411 F417 V419 A420 R421 | L372-V401 CarbonylContact C-O 3.49Å; L372-V401 VanDerWaalsContact CA-O 3.31Å; L372-V401 WeakPolarHBondContact CA-O 3.47Å; L372-V401 HydrophobicContact CD1-CB 4.41Å; L372-V401 HydrophobicContact CD1-CG1 4.13Å; L372-Q403 HydrophobicContact CD1-CB 4.28Å; L372-Q403 HydrophobicContact CD1-CG 3.88Å; L372-F408 HydrophobicContact CD1-CD2 4.37Å; L372-F408 HydrophobicContact CD2-CD2 3.97Å; L372-F408 HydrophobicContact CD2-CE2 4.31Å; L372-F408 HydrophobicContact CG-CD2 3.83Å; L372-F408 HydrophobicContact CG-CE2 4.12Å; L372-T411 HydrophobicContact CD2-CG2 3.55Å; L372-F417 HydrophobicContact CB-CB 4.5Å; L372-F417 HydrophobicContact CD2-CB 3.95Å; L372-V419 PolarHBondContact N-O 3.02Å; L372-A420 HydrophobicContact CB-CB 4.27Å; L372-A420 HydrophobicContact CD2-CB 4.5Å; L372-A420 CarbonylContact O-C 3.55Å; L372-A420 VanDerWaalsContact O-CA 3.29Å; L372-A420 WeakPolarHBondContact O-CA 3.2Å; L372-R421 PolarHBondContact O-N 2.82Å |
| 373 | Y | 98.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 152 | 170.3 | 64.2 | -81 | 0 | 0 | 0 | 111.1 | H379 K380 A383 L400 V401 N402 Q403 | Y373-H379 HydrophobicContact CD2-CB 3.9Å; Y373-H379 HydrophobicContact CG-CB 4.48Å; Y373-K380 HydrophobicContact CE2-CB 3.66Å; Y373-K380 HydrophobicContact CE2-CG 4.4Å; Y373-K380 WeakPolarHBondContact OH-CG 3.35Å; Y373-A383 HydrophobicContact CD1-CB 4.13Å; Y373-A383 HydrophobicContact CE1-CB 4.38Å; Y373-L400 HydrophobicContact CE1-CB 4.16Å; Y373-V401 WeakPolarHBondContact CD1-O 3.5Å; Y373-V401 WeakPolarHBondContact CE1-O 3.38Å; Y373-V401 PolarHBondContact N-O 3.29Å; Y373-N402 HydrophobicContact CD2-CB 4.27Å; Y373-N402 HydrophobicContact CE1-CB 4.03Å; Y373-N402 HydrophobicContact CE2-CB 3.7Å; Y373-N402 VanDerWaalsContact O-CA 3.24Å; Y373-N402 WeakPolarHBondContact O-CA 3.47Å; Y373-Q403 PolarHBondContact O-N 2.79Å; Y373-Q403 VanDerWaalsContact O-N 3.15Å |
| 374 | N | 96.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 141.4 | 170.7 | 61.5 | -65 | 0 | 0 | 0 | 110.3 | S376 H379 Q403 W405 F408 R421 | N374-S376 PolarHBondContact O-N 3.21Å; N374-S376 VanDerWaalsContact O-N 3.12Å; N374-H379 PolarHBondContact ND2-CD2 3.09Å; N374-H379 PolarHBondContact OD1-CD2 2.57Å; N374-Q403 CarbonylContact C-O 3.54Å; N374-Q403 WeakPolarHBondContact CA-O 3.2Å; N374-W405 HydrophobicContact CB-CE3 3.77Å; N374-W405 HydrophobicContact CB-CZ3 4.26Å; N374-F408 HydrophobicContact CB-CB 4.13Å; N374-F408 HydrophobicContact CB-CD1 3.79Å; N374-F408 HydrophobicContact CB-CD2 4.24Å; N374-F408 HydrophobicContact CB-CE1 4.27Å; N374-F408 HydrophobicContact CB-CG 3.77Å; N374-R421 PolarHBondContact OD1-NH1 3.36Å |
| 375 | T | 92.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 27 Ų | 27 | 37% | 0.368 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -56.1 | 117.5 | -177 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | A235 N402 Q403 | A235-T375 WeakPolarHBondContact CB-O 3.38Å; T375-N402 PolarHBondContact OG1-ND2 2.87Å; T375-Q403 PolarHBondContact N-O 2.7Å; T375-Q403 PolarHBondContact OG1-O 2.98Å |
| 376 | S | 96.3 | Very high | 97 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | trans | -168.6 | 144 | -176.7 | 149.2 | 0 | 0 | 0 | 0 | 108.7 | A235 E237 N374 L378 H379 K380 | A235-S376 WeakPolarHBondContact O-CA 3.28Å; E237-S376 VanDerWaalsContact CD-OG 3.28Å; E237-S376 WeakPolarHBondContact OE1-CB 3.21Å; E237-S376 PolarHBondContact OE1-OG 2.76Å; E237-S376 PolarHBondContact OE2-OG 2.49Å; N374-S376 PolarHBondContact O-N 3.21Å; N374-S376 VanDerWaalsContact O-N 3.12Å; S376-L378 PolarHBondContact OG-N 3.33Å; S376-H379 WeakPolarHBondContact CB-CD2 3.29Å; S376-H379 PolarHBondContact OG-CD2 3.11Å; S376-H379 PolarHBondContact OG-N 3.34Å; S376-K380 WeakPolarHBondContact O-CB 3.38Å; S376-K380 PolarHBondContact O-N 3.21Å; S376-K380 VanDerWaalsContact O-N 3.11Å | ||
| 377 | D | 90.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 6% | 0.064 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.1 | -45.5 | 175.9 | -58.6 | -38.2 | 0 | 0 | 0 | 109.3 | S236 E237 V238 K381 E842 | S236-D377 VanDerWaalsContact C-OD2 3.31Å; S236-D377 WeakPolarHBondContact CA-OD2 3.25Å; S236-D377 VanDerWaalsContact CB-OD2 3.3Å; S236-D377 WeakPolarHBondContact CB-OD2 3.16Å; S236-D377 PolarHBondContact OG-OD2 2.86Å; E237-D377 PolarHBondContact N-OD2 2.86Å; E237-D377 VanDerWaalsContact N-OD2 3.08Å; E237-D377 WeakPolarHBondContact OE2-CA 3.01Å; E237-D377 VanDerWaalsContact OE2-CB 3.28Å; E237-D377 WeakPolarHBondContact OE2-CB 3.35Å; E237-D377 PolarHBondContact OE2-N 2.88Å; V238-D377 HydrophobicContact CG2-CB 4.45Å; V238-D377 PolarHBondContact N-OD2 3.39Å; D377-K381 WeakPolarHBondContact O-CD 3.44Å; D377-K381 WeakPolarHBondContact O-CG 3.23Å; D377-K381 PolarHBondContact O-N 3.34Å; D377-E842 WeakPolarHBondContact CA-OE1 3.43Å; D377-E842 HydrophobicContact CB-CG 3.87Å; D377-E842 WeakPolarHBondContact OD1-CG 3.49Å; D377-E842 VanDerWaalsContact OD1-OE1 3.11Å |
| 378 | L | 95.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.8 | -55.8 | 177.3 | 174.8 | 62.2 | 0 | 0 | 0 | 111.3 | E237 N255 I258 S376 K380 K381 L382 | E237-L378 HydrophobicContact CG-CB 4.42Å; E237-L378 PolarHBondContact OE2-N 3.34Å; E237-L378 VanDerWaalsContact OE2-N 3.07Å; N255-L378 HydrophobicContact CB-CD2 4.02Å; I258-L378 HydrophobicContact CD1-CD1 3.97Å; I258-L378 HydrophobicContact CG1-CD1 3.84Å; S376-L378 PolarHBondContact OG-N 3.33Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.35Å; L378-K381 PolarHBondContact O-N 2.03Å; L378-L382 HydrophobicContact CD1-CD1 3.9Å; L378-L382 HydrophobicContact CD1-CG 4.14Å; L378-L382 HydrophobicContact CG-CD1 4.02Å; L378-L382 WeakPolarHBondContact O-CG 3.5Å; L378-L382 PolarHBondContact O-N 3.01Å |
| 379 | H | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.3 | -35.8 | -174.6 | -58.3 | -26.4 | 0 | 0 | 0 | 112.3 | Y281 Y373 N374 S376 K381 L382 A383 R421 | Y281-H379 AromaticContact CE2-ND1 3.74Å; Y373-H379 HydrophobicContact CD2-CB 3.9Å; Y373-H379 HydrophobicContact CG-CB 4.48Å; N374-H379 PolarHBondContact ND2-CD2 3.09Å; N374-H379 PolarHBondContact OD1-CD2 2.57Å; S376-H379 WeakPolarHBondContact CB-CD2 3.29Å; S376-H379 PolarHBondContact OG-CD2 3.11Å; S376-H379 PolarHBondContact OG-N 3.34Å; H379-K381 VanDerWaalsContact C-N 3.32Å; H379-K381 PolarHBondContact O-N 2.7Å; H379-L382 PolarHBondContact O-N 2.84Å; H379-A383 WeakPolarHBondContact O-CB 3.05Å; H379-A383 PolarHBondContact O-N 3.45Å; H379-R421 PolarHBondContact CE1-NH2 3.27Å; H379-R421 VanDerWaalsContact CE1-NH2 3.35Å; H379-R421 PolarHBondContact NE2-NH1 2.94Å |
| 380 | K | 97.1 | Very high | 97.1 | Very high | 40 Ų | 40 | 19 Ų | 19 | 17% | 0.174 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 174.1 | 177.2 | 165.9 | 151 | -155.7 | 0 | 111.9 | Y373 S376 L378 A383 I384 E842 R844 | Y373-K380 HydrophobicContact CE2-CB 3.66Å; Y373-K380 HydrophobicContact CE2-CG 4.4Å; Y373-K380 WeakPolarHBondContact OH-CG 3.35Å; S376-K380 WeakPolarHBondContact O-CB 3.38Å; S376-K380 PolarHBondContact O-N 3.21Å; S376-K380 VanDerWaalsContact O-N 3.11Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.35Å; K380-A383 PolarHBondContact O-N 3.14Å; K380-I384 HydrophobicContact CG-CD1 4.07Å; K380-I384 VanDerWaalsContact O-CD1 3.3Å; K380-I384 WeakPolarHBondContact O-CD1 3.41Å; K380-I384 WeakPolarHBondContact O-CG1 2.95Å; K380-I384 PolarHBondContact O-N 3.31Å; K380-E842 WeakPolarHBondContact CD-OE1 3.39Å; K380-E842 WeakPolarHBondContact CE-OE1 3.28Å; K380-E842 IonicContact NZ-OE1 2.64Å; K380-E842 PolarHBondContact NZ-OE1 3.35Å; K380-E842 IonicContact NZ-OE2 3.75Å; K380-E842 PolarHBondContact NZ-OE2 3.22Å; K380-R844 VanDerWaalsContact CE-CZ 3.46Å; K380-R844 VanDerWaalsContact CE-NE 3.26Å; K380-R844 VanDerWaalsContact CE-NH2 3.28Å |
| 381 | K | 96.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 20.8 Ų | 20.8 | 9% | 0.087 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 178.3 | -77 | 158.8 | 168.4 | -98.7 | 0 | 112.6 | I258 E259 D377 L378 H379 A383 I384 A385 G843 | I258-K381 HydrophobicContact CB-CD 4.47Å; I258-K381 HydrophobicContact CD1-CB 3.9Å; I258-K381 HydrophobicContact CD1-CD 4.3Å; E259-K381 VanDerWaalsContact CG-NZ 3.3Å; E259-K381 VanDerWaalsContact OE1-CD 3.27Å; E259-K381 WeakPolarHBondContact OE1-CD 3.4Å; E259-K381 WeakPolarHBondContact OE1-CE 3.24Å; E259-K381 IonicContact OE1-NZ 3.45Å; E259-K381 PolarHBondContact OE1-NZ 3.23Å; E259-K381 WeakPolarHBondContact OE2-CE 3.34Å; E259-K381 IonicContact OE2-NZ 3.29Å; E259-K381 PolarHBondContact OE2-NZ 2.88Å; E259-K381 VanDerWaalsContact OE2-NZ 3.11Å; D377-K381 WeakPolarHBondContact O-CD 3.44Å; D377-K381 WeakPolarHBondContact O-CG 3.23Å; D377-K381 PolarHBondContact O-N 3.34Å; L378-K381 PolarHBondContact O-N 2.03Å; H379-K381 VanDerWaalsContact C-N 3.32Å; H379-K381 PolarHBondContact O-N 2.7Å; K381-A383 VanDerWaalsContact C-N 3.3Å; K381-A383 PolarHBondContact O-N 3.08Å; K381-I384 PolarHBondContact O-N 3.45Å; K381-A385 PolarHBondContact O-N 3.39Å; K381-G843 VanDerWaalsContact CE-N 3.28Å; K381-G843 VanDerWaalsContact CE-O 3.26Å; K381-G843 WeakPolarHBondContact CE-O 3.05Å; K381-G843 PolarHBondContact NZ-O 3.1Å |
| 382 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 174.9 | -64.3 | 177.5 | 0 | 0 | 0 | 111.5 | I258 Y281 Y283 I310 V314 K315 L378 H379 A385 A386 Y491 | I258-L382 HydrophobicContact CD1-CD2 4.27Å; Y281-L382 HydrophobicContact CE2-CD1 3.74Å; Y283-L382 PolarHBondContact OH-O 3Å; I310-L382 HydrophobicContact CG2-CD2 3.95Å; V314-L382 HydrophobicContact CG1-CD2 4.34Å; K315-L382 HydrophobicContact CB-CD2 4.22Å; L378-L382 HydrophobicContact CD1-CD1 3.9Å; L378-L382 HydrophobicContact CD1-CG 4.14Å; L378-L382 HydrophobicContact CG-CD1 4.02Å; L378-L382 WeakPolarHBondContact O-CG 3.5Å; L378-L382 PolarHBondContact O-N 3.01Å; H379-L382 PolarHBondContact O-N 2.84Å; L382-A385 PolarHBondContact O-N 2.82Å; L382-A386 VanDerWaalsContact O-CB 3.31Å; L382-A386 WeakPolarHBondContact O-CB 3.08Å; L382-A386 PolarHBondContact O-N 2.85Å; L382-Y491 HydrophobicContact CD1-CE1 4.18Å |
| 383 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L371 Y373 H379 K380 K381 S387 L400 | L371-A383 HydrophobicContact CD2-CB 3.7Å; L371-A383 HydrophobicContact CG-CB 4.46Å; Y373-A383 HydrophobicContact CD1-CB 4.13Å; Y373-A383 HydrophobicContact CE1-CB 4.38Å; H379-A383 WeakPolarHBondContact O-CB 3.05Å; H379-A383 PolarHBondContact O-N 3.45Å; K380-A383 PolarHBondContact O-N 3.14Å; K381-A383 VanDerWaalsContact C-N 3.3Å; K381-A383 PolarHBondContact O-N 3.08Å; A383-S387 WeakPolarHBondContact O-CB 3.08Å; A383-S387 PolarHBondContact O-N 2.96Å; A383-L400 HydrophobicContact CB-CD1 4.44Å; A383-L400 HydrophobicContact CB-CD2 3.89Å |
| 384 | I | 97.5 | Very high | 97 | Very high | 39 Ų | 39 | 28.6 Ų | 28.6 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.8 | -43.3 | 173.9 | -68.5 | 161.9 | 0 | 0 | 0 | 111.1 | K380 K381 S387 S388 L400 R844 | K380-I384 HydrophobicContact CG-CD1 4.07Å; K380-I384 VanDerWaalsContact O-CD1 3.3Å; K380-I384 WeakPolarHBondContact O-CD1 3.41Å; K380-I384 WeakPolarHBondContact O-CG1 2.95Å; K380-I384 PolarHBondContact O-N 3.31Å; K381-I384 PolarHBondContact O-N 3.45Å; I384-S387 PolarHBondContact O-N 2.7Å; I384-S388 WeakPolarHBondContact O-CB 3.48Å; I384-S388 PolarHBondContact O-N 2.95Å; I384-L400 HydrophobicContact CB-CD1 4.4Å; I384-L400 HydrophobicContact CD1-CD1 4.41Å; I384-L400 HydrophobicContact CG1-CD1 3.37Å; I384-R844 HydrophobicContact CD1-CG 3.5Å |
| 385 | A | 97.7 | Very high | 97 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 12% | 0.116 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V314 K381 L382 S387 S388 L389 | V314-A385 HydrophobicContact CG1-CB 4.06Å; V314-A385 HydrophobicContact CG2-CB 4.09Å; K381-A385 PolarHBondContact O-N 3.39Å; L382-A385 PolarHBondContact O-N 2.82Å; A385-S387 PolarHBondContact O-N 2.82Å; A385-S388 PolarHBondContact O-N 3.4Å; A385-L389 WeakPolarHBondContact O-CB 3.37Å; A385-L389 VanDerWaalsContact O-CG 3.26Å; A385-L389 WeakPolarHBondContact O-CG 3.3Å; A385-L389 PolarHBondContact O-N 2.74Å |
| 386 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y283 M305 I310 L382 S388 L389 W390 | Y283-A386 HydrophobicContact CE2-CB 3.61Å; Y283-A386 WeakPolarHBondContact OH-CB 3.47Å; M305-A386 HydrophobicContact CE-CB 3.5Å; M305-A386 HydrophobicContact SD-CB 4.39Å; I310-A386 HydrophobicContact CD1-CB 4.18Å; L382-A386 VanDerWaalsContact O-CB 3.31Å; L382-A386 WeakPolarHBondContact O-CB 3.08Å; L382-A386 PolarHBondContact O-N 2.85Å; A386-S388 VanDerWaalsContact C-N 3.35Å; A386-S388 PolarHBondContact O-N 2.88Å; A386-L389 PolarHBondContact O-N 2.6Å; A386-W390 HydrophobicContact CB-CE3 4.14Å; A386-W390 HydrophobicContact CB-CZ3 4.01Å; A386-W390 WeakPolarHBondContact O-CB 3.18Å; A386-W390 PolarHBondContact O-N 3.39Å |
| 387 | S | 98.3 | Very high | 97.3 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.6 | -47 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | A383 I384 A385 K391 | A383-S387 WeakPolarHBondContact O-CB 3.08Å; A383-S387 PolarHBondContact O-N 2.96Å; I384-S387 PolarHBondContact O-N 2.7Å; A385-S387 PolarHBondContact O-N 2.82Å; S387-K391 VanDerWaalsContact O-CB 3.3Å; S387-K391 WeakPolarHBondContact O-CB 3.43Å; S387-K391 PolarHBondContact O-N 2.98Å |
| 388 | S | 98 | Very high | 97.7 | Very high | 75 Ų | 75 | 29.3 Ų | 29.3 | 52% | 0.524 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 178 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | I384 A385 A386 K392 | I384-S388 WeakPolarHBondContact O-CB 3.48Å; I384-S388 PolarHBondContact O-N 2.95Å; A385-S388 PolarHBondContact O-N 3.4Å; A386-S388 VanDerWaalsContact C-N 3.35Å; A386-S388 PolarHBondContact O-N 2.88Å; S388-K392 VanDerWaalsContact O-CB 3.3Å; S388-K392 WeakPolarHBondContact O-CB 3.31Å; S388-K392 PolarHBondContact O-N 3.45Å |
| 389 | L | 98.1 | Very high | 97.8 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.2 | -49.4 | -179.8 | -73 | 169.2 | 0 | 0 | 0 | 111.2 | M305 D306 I309 I310 A385 A386 K391 K392 N393 | M305-L389 HydrophobicContact SD-CD1 4.3Å; D306-L389 HydrophobicContact CB-CD1 4.16Å; D306-L389 HydrophobicContact CB-CD2 4.05Å; I309-L389 HydrophobicContact CB-CD1 4.32Å; I309-L389 HydrophobicContact CB-CD2 4.39Å; I309-L389 HydrophobicContact CD1-CD2 3.81Å; I309-L389 HydrophobicContact CG2-CD1 4.16Å; I309-L389 HydrophobicContact CG2-CD2 4.19Å; I310-L389 HydrophobicContact CD1-CD1 3.97Å; I310-L389 HydrophobicContact CG1-CD1 3.53Å; A385-L389 WeakPolarHBondContact O-CB 3.37Å; A385-L389 VanDerWaalsContact O-CG 3.26Å; A385-L389 WeakPolarHBondContact O-CG 3.3Å; A385-L389 PolarHBondContact O-N 2.74Å; A386-L389 PolarHBondContact O-N 2.6Å; L389-K391 VanDerWaalsContact C-N 3.31Å; L389-K391 PolarHBondContact O-N 2.77Å; L389-K392 PolarHBondContact O-N 3.48Å; L389-N393 WeakPolarHBondContact O-CB 3.21Å; L389-N393 PolarHBondContact O-N 3.04Å |
| 390 | W | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 175.2 | -77.9 | -42.2 | 0 | 0 | 0 | 112.4 | Y283 L301 M305 L371 A386 I394 G395 V396 V398 | Y283-W390 HydrophobicContact CD1-CH2 4.44Å; Y283-W390 AromaticContact CD2-CH2 3.57Å; Y283-W390 HydrophobicContact CD2-CH2 3.57Å; Y283-W390 HydrophobicContact CD2-CZ2 4.08Å; Y283-W390 HydrophobicContact CD2-CZ3 4.44Å; Y283-W390 HydrophobicContact CE2-CH2 4.03Å; Y283-W390 HydrophobicContact CE2-CZ3 4.5Å; Y283-W390 AromaticContact CG-CH2 3.81Å; Y283-W390 HydrophobicContact CG-CH2 3.81Å; L301-W390 HydrophobicContact CB-CZ2 4.37Å; L301-W390 HydrophobicContact CD2-CD2 4.47Å; L301-W390 PolarHBondContact O-NE1 3.31Å; M305-W390 HydrophobicContact CE-CD2 3.63Å; M305-W390 HydrophobicContact CE-CE3 3.98Å; M305-W390 HydrophobicContact CE-CG 4.32Å; M305-W390 HydrophobicContact CE-CH2 3.69Å; M305-W390 HydrophobicContact CE-CZ2 3.28Å; M305-W390 HydrophobicContact CE-CZ3 4.02Å; L371-W390 HydrophobicContact CD2-CZ3 4.2Å; A386-W390 HydrophobicContact CB-CE3 4.14Å; A386-W390 HydrophobicContact CB-CZ3 4.01Å; A386-W390 WeakPolarHBondContact O-CB 3.18Å; A386-W390 PolarHBondContact O-N 3.39Å; W390-I394 HydrophobicContact CB-CD1 4.42Å; W390-I394 HydrophobicContact CB-CG1 4.27Å; W390-I394 HydrophobicContact CG-CD1 4.27Å; W390-I394 CarbonylContact O-C 3.54Å; W390-I394 WeakPolarHBondContact O-CG1 3.13Å; W390-I394 PolarHBondContact O-N 3.35Å; W390-G395 PolarHBondContact O-N 3.41Å; W390-G395 VanDerWaalsContact O-N 3.1Å; W390-V396 HydrophobicContact CB-CB 4.28Å; W390-V398 HydrophobicContact CE3-CG2 4Å |
| 391 | K | 98 | Very high | 97.9 | Very high | 98 Ų | 98 | 38.1 Ų | 38.1 | 43% | 0.426 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62 | -47.3 | 176.1 | -176.3 | 63.2 | -174.5 | 173.7 | 0 | 112 | S387 L389 G395 V396 N397 | S387-K391 VanDerWaalsContact O-CB 3.3Å; S387-K391 WeakPolarHBondContact O-CB 3.43Å; S387-K391 PolarHBondContact O-N 2.98Å; L389-K391 VanDerWaalsContact C-N 3.31Å; L389-K391 PolarHBondContact O-N 2.77Å; K391-G395 PolarHBondContact NZ-O 3.49Å; K391-G395 VanDerWaalsContact O-CA 3.3Å; K391-G395 WeakPolarHBondContact O-CA 3.21Å; K391-G395 PolarHBondContact O-N 2.86Å; K391-G395 VanDerWaalsContact O-N 3.14Å; K391-V396 WeakPolarHBondContact CA-O 2.9Å; K391-V396 VanDerWaalsContact CD-O 3.32Å; K391-V396 WeakPolarHBondContact CD-O 3.08Å; K391-N397 WeakPolarHBondContact CE-OD1 3.48Å; K391-N397 PolarHBondContact NZ-OD1 3.4Å |
| 392 | K | 97.5 | Very high | 97.7 | Very high | 159 Ų | 159 | 41.3 Ų | 41.3 | 69% | 0.691 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.2 | -47.4 | 179.3 | -179.8 | -172 | 173.9 | -169.7 | 0 | 111.9 | S388 L389 | S388-K392 VanDerWaalsContact O-CB 3.3Å; S388-K392 WeakPolarHBondContact O-CB 3.31Å; S388-K392 PolarHBondContact O-N 3.45Å; L389-K392 PolarHBondContact O-N 3.48Å |
| 393 | N | 97.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -80.8 | -39.4 | -167.8 | -68.9 | -3.4 | 0 | 0 | 0 | 112.1 | G304 N349 K353 L389 | G304-N393 PolarHBondContact O-ND2 3.27Å; N349-N393 WeakPolarHBondContact OD1-CB 3.26Å; K353-N393 WeakPolarHBondContact CE-O 3.2Å; L389-N393 WeakPolarHBondContact O-CB 3.21Å; L389-N393 PolarHBondContact O-N 3.04Å |
| 394 | I | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -136.9 | 6.9 | -169.6 | 59.9 | 167.9 | 0 | 0 | 0 | 113.9 | L301 A352 K353 L356 W390 V396 | L301-I394 HydrophobicContact CD2-CD1 4.14Å; A352-I394 HydrophobicContact CB-CG2 3.51Å; K353-I394 HydrophobicContact CG-CG2 4.42Å; L356-I394 HydrophobicContact CD1-CB 4Å; L356-I394 HydrophobicContact CD1-CD1 4.16Å; L356-I394 HydrophobicContact CD1-CG1 4.39Å; W390-I394 HydrophobicContact CB-CD1 4.42Å; W390-I394 HydrophobicContact CB-CG1 4.27Å; W390-I394 HydrophobicContact CG-CD1 4.27Å; W390-I394 CarbonylContact O-C 3.54Å; W390-I394 WeakPolarHBondContact O-CG1 3.13Å; W390-I394 PolarHBondContact O-N 3.35Å; I394-V396 VanDerWaalsContact C-N 3.3Å; I394-V396 HydrophobicContact CD1-CG2 3.61Å; I394-V396 HydrophobicContact CG1-CB 4.41Å; I394-V396 HydrophobicContact CG1-CG2 3.75Å; I394-V396 PolarHBondContact O-N 3.47Å |
| 395 | G | 97.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 47 Ų | 47 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | trans | 79.8 | -1.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | W390 K391 | W390-G395 PolarHBondContact O-N 3.41Å; W390-G395 VanDerWaalsContact O-N 3.1Å; K391-G395 PolarHBondContact NZ-O 3.49Å; K391-G395 VanDerWaalsContact O-CA 3.3Å; K391-G395 WeakPolarHBondContact O-CA 3.21Å; K391-G395 PolarHBondContact O-N 2.86Å; K391-G395 VanDerWaalsContact O-N 3.14Å | ||
| 396 | V | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | trans | -66.5 | 133.8 | -176.7 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | L301 L356 L367 I369 W390 K391 I394 V398 | L301-V396 HydrophobicContact CD2-CG1 4.45Å; L301-V396 HydrophobicContact CD2-CG2 4.22Å; L356-V396 HydrophobicContact CD1-CG2 3.94Å; L367-V396 HydrophobicContact CB-CG1 4.48Å; L367-V396 HydrophobicContact CB-CG2 4.21Å; L367-V396 HydrophobicContact CD2-CG1 4.31Å; L367-V396 HydrophobicContact CD2-CG2 4.08Å; L367-V396 HydrophobicContact CG-CG1 4.29Å; L367-V396 CarbonylContact O-C 3.38Å; L367-V396 WeakPolarHBondContact O-CA 3.42Å; I369-V396 HydrophobicContact CD1-CG1 4.09Å; I369-V396 HydrophobicContact CG1-CG1 4.14Å; I369-V396 HydrophobicContact CG2-CG1 4.4Å; W390-V396 HydrophobicContact CB-CB 4.28Å; K391-V396 WeakPolarHBondContact CA-O 2.9Å; K391-V396 VanDerWaalsContact CD-O 3.32Å; K391-V396 WeakPolarHBondContact CD-O 3.08Å; I394-V396 VanDerWaalsContact C-N 3.3Å; I394-V396 HydrophobicContact CD1-CG2 3.61Å; I394-V396 HydrophobicContact CG1-CB 4.41Å; I394-V396 HydrophobicContact CG1-CG2 3.75Å; I394-V396 PolarHBondContact O-N 3.47Å; V396-V398 HydrophobicContact CG1-CG2 4.03Å | ||
| 397 | N | 97.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.6 | 171.1 | -68.1 | -34.7 | 0 | 0 | 0 | 109.8 | P366 L367 T368 I369 K391 | P366-N397 VanDerWaalsContact CG-ND2 3.29Å; P366-N397 WeakPolarHBondContact CG-ND2 3.5Å; L367-N397 PolarHBondContact O-N 3.09Å; T368-N397 CarbonylContact C-O 3.56Å; T368-N397 VanDerWaalsContact CA-O 3.27Å; T368-N397 WeakPolarHBondContact CA-O 3.26Å; T368-N397 HydrophobicContact CG2-CB 4.07Å; I369-N397 PolarHBondContact N-O 3.18Å; K391-N397 WeakPolarHBondContact CE-OD1 3.48Å; K391-N397 PolarHBondContact NZ-OD1 3.4Å |
| 398 | V | 98.4 | Very high | 96.3 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124 | -178.7 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | I369 L371 W390 V396 L400 | I369-V398 HydrophobicContact CD1-CG1 4.48Å; I369-V398 HydrophobicContact CD1-CG2 3.99Å; I369-V398 HydrophobicContact CG1-CB 4.27Å; I369-V398 HydrophobicContact CG1-CG1 4.12Å; I369-V398 HydrophobicContact CG1-CG2 3.87Å; I369-V398 CarbonylContact O-C 3.5Å; I369-V398 WeakPolarHBondContact O-CA 3.36Å; L371-V398 HydrophobicContact CB-CG1 3.46Å; L371-V398 VanDerWaalsContact CB-CG1 3.46Å; L371-V398 HydrophobicContact CD2-CG1 4.22Å; L371-V398 HydrophobicContact CG-CG1 4.5Å; W390-V398 HydrophobicContact CE3-CG2 4Å; V396-V398 HydrophobicContact CG1-CG2 4.03Å; V398-L400 HydrophobicContact CG1-CD2 4Å |
| 399 | K | 98.1 | Very high | 96.2 | Very high | 133 Ų | 133 | 49.9 Ų | 49.9 | 58% | 0.578 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118 | 170.7 | 179.6 | 176.5 | 168.9 | -164.2 | 0 | 109.2 | I369 N370 L371 | I369-K399 PolarHBondContact O-N 2.88Å; N370-K399 CarbonylContact C-O 3.53Å; N370-K399 VanDerWaalsContact CA-O 3.29Å; N370-K399 WeakPolarHBondContact CA-O 3.26Å; N370-K399 WeakPolarHBondContact OD1-CD 3.43Å; L371-K399 PolarHBondContact N-O 3.36Å |
| 400 | L | 98.2 | Very high | 96 | Very high | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 134.2 | 179.4 | -58.3 | -173.7 | 0 | 0 | 0 | 111 | L371 Y373 A383 I384 V398 | L371-L400 HydrophobicContact CB-CD2 3.98Å; L371-L400 HydrophobicContact CD2-CD2 3.84Å; L371-L400 HydrophobicContact CG-CD2 4.25Å; Y373-L400 HydrophobicContact CE1-CB 4.16Å; A383-L400 HydrophobicContact CB-CD1 4.44Å; A383-L400 HydrophobicContact CB-CD2 3.89Å; I384-L400 HydrophobicContact CB-CD1 4.4Å; I384-L400 HydrophobicContact CD1-CD1 4.41Å; I384-L400 HydrophobicContact CG1-CD1 3.37Å; V398-L400 HydrophobicContact CG1-CD2 4Å |
| 401 | V | 97.5 | Very high | 96 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | N370 L371 L372 Y373 | N370-V401 HydrophobicContact CB-CG2 4.26Å; L371-V401 PolarHBondContact O-N 2.88Å; L372-V401 CarbonylContact C-O 3.49Å; L372-V401 VanDerWaalsContact CA-O 3.31Å; L372-V401 WeakPolarHBondContact CA-O 3.47Å; L372-V401 HydrophobicContact CD1-CB 4.41Å; L372-V401 HydrophobicContact CD1-CG1 4.13Å; Y373-V401 WeakPolarHBondContact CD1-O 3.5Å; Y373-V401 WeakPolarHBondContact CE1-O 3.38Å; Y373-V401 PolarHBondContact N-O 3.29Å |
| 402 | N | 92.2 | Very high | 96 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 148 | 174.4 | 74.1 | -67.2 | 0 | 0 | 0 | 111.9 | Y373 T375 | Y373-N402 HydrophobicContact CD2-CB 4.27Å; Y373-N402 HydrophobicContact CE1-CB 4.03Å; Y373-N402 HydrophobicContact CE2-CB 3.7Å; Y373-N402 VanDerWaalsContact O-CA 3.24Å; Y373-N402 WeakPolarHBondContact O-CA 3.47Å; T375-N402 PolarHBondContact OG1-ND2 2.87Å |
| 403 | Q | 92.6 | Very high | 96 | Very high | 48 Ų | 48 | 45 Ų | 45 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 161.4 | 173.7 | -73.4 | 175.1 | -24.2 | 0 | 0 | 110.2 | L372 Y373 N374 T375 T407 F408 T411 | L372-Q403 HydrophobicContact CD1-CB 4.28Å; L372-Q403 HydrophobicContact CD1-CG 3.88Å; Y373-Q403 PolarHBondContact O-N 2.79Å; Y373-Q403 VanDerWaalsContact O-N 3.15Å; N374-Q403 CarbonylContact C-O 3.54Å; N374-Q403 WeakPolarHBondContact CA-O 3.2Å; T375-Q403 PolarHBondContact N-O 2.7Å; T375-Q403 PolarHBondContact OG1-O 2.98Å; Q403-T407 HydrophobicContact CB-CG2 4.32Å; Q403-T407 HydrophobicContact CG-CG2 4.27Å; Q403-T407 PolarHBondContact OE1-O 3.29Å; Q403-F408 HydrophobicContact CB-CB 4.09Å; Q403-T411 PolarHBondContact NE2-OG1 3.21Å; Q403-T411 PolarHBondContact OE1-OG1 2.79Å |
| 404 | E | 92.7 | Very high | 96 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -71.5 | 152.1 | 170 | -178.8 | -89.1 | 119.4 | 0 | 0 | 109.8 | K406 T407 F408 | E404-K406 PolarHBondContact O-N 2.77Å; E404-K406 PolarHBondContact OE1-N 3.38Å; E404-T407 PolarHBondContact O-N 3.23Å; E404-F408 WeakPolarHBondContact O-CB 3.2Å; E404-F408 PolarHBondContact O-N 2.92Å | ||
| 405 | W | 92.8 | Very high | 96 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 13% | 0.125 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -50.6 | -50 | -166.7 | 177.8 | -118.5 | 0 | 0 | 0 | 113.5 | S29 E44 N374 T407 F408 L409 | S29-W405 WeakPolarHBondContact OG-CB 3.22Å; S29-W405 VanDerWaalsContact OG-CD1 3.24Å; S29-W405 VanDerWaalsContact OG-CG 3.28Å; E44-W405 VanDerWaalsContact OE1-CD1 3.31Å; E44-W405 PolarHBondContact OE1-NE1 3.44Å; E44-W405 VanDerWaalsContact OE1-NE1 3.07Å; E44-W405 PolarHBondContact OE2-NE1 3.16Å; N374-W405 HydrophobicContact CB-CE3 3.77Å; N374-W405 HydrophobicContact CB-CZ3 4.26Å; W405-T407 PolarHBondContact O-N 2.97Å; W405-F408 AromaticContact CE3-CD1 3.81Å; W405-F408 HydrophobicContact CE3-CD1 3.81Å; W405-F408 HydrophobicContact CE3-CE1 4.21Å; W405-F408 AromaticContact CZ3-CD1 3.81Å; W405-F408 HydrophobicContact CZ3-CD1 3.81Å; W405-F408 AromaticContact CZ3-CE1 3.72Å; W405-F408 HydrophobicContact CZ3-CE1 3.72Å; W405-F408 WeakPolarHBondContact O-CB 3.37Å; W405-F408 PolarHBondContact O-N 2.88Å; W405-L409 HydrophobicContact CD2-CD1 4.03Å; W405-L409 HydrophobicContact CD2-CG 4.25Å; W405-L409 VanDerWaalsContact CE2-CD1 3.45Å; W405-L409 HydrophobicContact CE3-CG 4.46Å; W405-L409 HydrophobicContact CG-CD1 4.45Å; W405-L409 HydrophobicContact CH2-CD1 4.32Å; W405-L409 HydrophobicContact CH2-CD2 3.93Å; W405-L409 HydrophobicContact CH2-CG 4.35Å; W405-L409 HydrophobicContact CZ2-CD1 3.64Å; W405-L409 HydrophobicContact CZ2-CD2 4.06Å; W405-L409 HydrophobicContact CZ2-CG 4.15Å; W405-L409 HydrophobicContact CZ3-CD2 4.26Å; W405-L409 WeakPolarHBondContact O-CG 2.96Å; W405-L409 PolarHBondContact O-N 2.66Å |
| 406 | K | 90.6 | Very high | 96 | Very high | 109 Ų | 109 | 52.7 Ų | 52.7 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 179.1 | 176.7 | 172.7 | -173.5 | 156.8 | 0 | 112.6 | Q32 E404 F408 D410 | Q32-K406 HydrophobicContact CG-CB 4.12Å; Q32-K406 HydrophobicContact CG-CG 4.09Å; Q32-K406 PolarHBondContact O-NZ 2.74Å; E404-K406 PolarHBondContact O-N 2.77Å; E404-K406 PolarHBondContact OE1-N 3.38Å; K406-F408 VanDerWaalsContact C-N 3.35Å; K406-D410 PolarHBondContact O-N 3.24Å; K406-D410 VanDerWaalsContact O-N 3.16Å |
| 407 | T | 92.4 | Very high | 96 | Very high | 63 Ų | 63 | 53 Ų | 53 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 179.6 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | Q403 E404 W405 T411 | Q403-T407 HydrophobicContact CB-CG2 4.32Å; Q403-T407 HydrophobicContact CG-CG2 4.27Å; Q403-T407 PolarHBondContact OE1-O 3.29Å; E404-T407 PolarHBondContact O-N 3.23Å; W405-T407 PolarHBondContact O-N 2.97Å; T407-T411 WeakPolarHBondContact O-CB 3.11Å; T407-T411 PolarHBondContact O-N 3.24Å; T407-T411 PolarHBondContact O-OG1 3.21Å |
| 408 | F | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 177.3 | 161 | -96.9 | 0 | 0 | 0 | 111.7 | L372 N374 Q403 E404 W405 K406 T411 R412 A420 R421 | L372-F408 HydrophobicContact CD1-CD2 4.37Å; L372-F408 HydrophobicContact CD2-CD2 3.97Å; L372-F408 HydrophobicContact CD2-CE2 4.31Å; L372-F408 HydrophobicContact CG-CD2 3.83Å; L372-F408 HydrophobicContact CG-CE2 4.12Å; N374-F408 HydrophobicContact CB-CB 4.13Å; N374-F408 HydrophobicContact CB-CD1 3.79Å; N374-F408 HydrophobicContact CB-CD2 4.24Å; N374-F408 HydrophobicContact CB-CE1 4.27Å; N374-F408 HydrophobicContact CB-CG 3.77Å; Q403-F408 HydrophobicContact CB-CB 4.09Å; E404-F408 WeakPolarHBondContact O-CB 3.2Å; E404-F408 PolarHBondContact O-N 2.92Å; W405-F408 AromaticContact CE3-CD1 3.81Å; W405-F408 HydrophobicContact CE3-CD1 3.81Å; W405-F408 HydrophobicContact CE3-CE1 4.21Å; W405-F408 AromaticContact CZ3-CD1 3.81Å; W405-F408 HydrophobicContact CZ3-CD1 3.81Å; W405-F408 AromaticContact CZ3-CE1 3.72Å; W405-F408 HydrophobicContact CZ3-CE1 3.72Å; W405-F408 WeakPolarHBondContact O-CB 3.37Å; W405-F408 PolarHBondContact O-N 2.88Å; K406-F408 VanDerWaalsContact C-N 3.35Å; F408-T411 PolarHBondContact O-N 3.44Å; F408-R412 HydrophobicContact CE2-CG 4.34Å; F408-R412 HydrophobicContact CZ-CG 4.35Å; F408-R412 WeakPolarHBondContact O-CG 3.47Å; F408-R412 PolarHBondContact O-N 3.31Å; F408-A420 HydrophobicContact CE2-CB 4.31Å; F408-R421 WeakPolarHBondContact CZ-O 3.23Å |
| 409 | L | 96 | Very high | 96 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 177.1 | -70.1 | 177.8 | 0 | 0 | 0 | 112 | Q32 E40 W405 T411 R412 H413 | Q32-L409 HydrophobicContact CG-CD1 3.97Å; Q32-L409 VanDerWaalsContact NE2-CD1 3.26Å; E40-L409 HydrophobicContact CG-CD1 3.8Å; E40-L409 HydrophobicContact CG-CD2 4.4Å; E40-L409 WeakPolarHBondContact OE1-CB 3.49Å; W405-L409 HydrophobicContact CD2-CD1 4.03Å; W405-L409 HydrophobicContact CD2-CG 4.25Å; W405-L409 VanDerWaalsContact CE2-CD1 3.45Å; W405-L409 HydrophobicContact CE3-CG 4.46Å; W405-L409 HydrophobicContact CG-CD1 4.45Å; W405-L409 HydrophobicContact CH2-CD1 4.32Å; W405-L409 HydrophobicContact CH2-CD2 3.93Å; W405-L409 HydrophobicContact CH2-CG 4.35Å; W405-L409 HydrophobicContact CZ2-CD1 3.64Å; W405-L409 HydrophobicContact CZ2-CD2 4.06Å; W405-L409 HydrophobicContact CZ2-CG 4.15Å; W405-L409 HydrophobicContact CZ3-CD2 4.26Å; W405-L409 WeakPolarHBondContact O-CG 2.96Å; W405-L409 PolarHBondContact O-N 2.66Å; L409-T411 VanDerWaalsContact C-N 3.34Å; L409-T411 PolarHBondContact O-N 2.84Å; L409-R412 WeakPolarHBondContact O-CB 2.88Å; L409-R412 PolarHBondContact O-N 3.4Å; L409-R412 VanDerWaalsContact O-N 3.12Å; L409-H413 PolarHBondContact O-CD2 2.93Å; L409-H413 PolarHBondContact O-N 2.89Å |
| 410 | D | 95 | Very high | 96.1 | Very high | 79 Ų | 79 | 43.9 Ų | 43.9 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.1 | -43 | 175.9 | -178.6 | 48 | 0 | 0 | 0 | 112.3 | K406 R412 H413 Q414 | K406-D410 PolarHBondContact O-N 3.24Å; K406-D410 VanDerWaalsContact O-N 3.16Å; D410-R412 VanDerWaalsContact C-N 3.27Å; D410-R412 PolarHBondContact O-N 3.27Å; D410-H413 PolarHBondContact O-N 3.41Å; D410-Q414 WeakPolarHBondContact O-CB 3.47Å; D410-Q414 VanDerWaalsContact O-CG 3.3Å; D410-Q414 WeakPolarHBondContact O-CG 3.11Å; D410-Q414 PolarHBondContact O-N 2.92Å; D410-Q414 PolarHBondContact OD1-NE2 3.01Å; D410-Q414 PolarHBondContact OD2-NE2 3.2Å |
| 411 | T | 97.7 | Very high | 96.1 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -35.7 | 176.3 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | L372 Q403 T407 F408 L409 G415 T416 F417 | L372-T411 HydrophobicContact CD2-CG2 3.55Å; Q403-T411 PolarHBondContact NE2-OG1 3.21Å; Q403-T411 PolarHBondContact OE1-OG1 2.79Å; T407-T411 WeakPolarHBondContact O-CB 3.11Å; T407-T411 PolarHBondContact O-N 3.24Å; T407-T411 PolarHBondContact O-OG1 3.21Å; F408-T411 PolarHBondContact O-N 3.44Å; L409-T411 VanDerWaalsContact C-N 3.34Å; L409-T411 PolarHBondContact O-N 2.84Å; T411-G415 PolarHBondContact O-N 2.85Å; T411-T416 WeakPolarHBondContact CG2-OG1 3.19Å; T411-T416 PolarHBondContact O-N 3.38Å; T411-T416 VanDerWaalsContact O-N 3.15Å; T411-T416 PolarHBondContact O-OG1 2.7Å; T411-F417 HydrophobicContact CG2-CB 4.36Å |
| 412 | R | 98.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.5 | -47.9 | 176.4 | -74.5 | 172.6 | 64.2 | -146.7 | 4.1 | 111.8 | E284 F408 L409 D410 Q414 G415 F417 A420 T446 H448 | E284-R412 IonicContact OE1-CZ 3.66Å; E284-R412 IonicContact OE1-NE 3.6Å; E284-R412 PolarHBondContact OE1-NE 3.19Å; E284-R412 IonicContact OE1-NH2 2.7Å; E284-R412 PolarHBondContact OE1-NH2 3.12Å; E284-R412 IonicContact OE2-CZ 2.75Å; E284-R412 IonicContact OE2-NE 3.95Å; E284-R412 IonicContact OE2-NH2 3.35Å; E284-R412 PolarHBondContact OE2-NH2 2.83Å; F408-R412 HydrophobicContact CE2-CG 4.34Å; F408-R412 HydrophobicContact CZ-CG 4.35Å; F408-R412 WeakPolarHBondContact O-CG 3.47Å; F408-R412 PolarHBondContact O-N 3.31Å; L409-R412 WeakPolarHBondContact O-CB 2.88Å; L409-R412 PolarHBondContact O-N 3.4Å; L409-R412 VanDerWaalsContact O-N 3.12Å; D410-R412 VanDerWaalsContact C-N 3.27Å; D410-R412 PolarHBondContact O-N 3.27Å; R412-Q414 VanDerWaalsContact C-N 3.34Å; R412-Q414 PolarHBondContact O-N 2.94Å; R412-G415 PolarHBondContact O-N 2.91Å; R412-F417 HydrophobicContact CB-CE1 4.32Å; R412-F417 HydrophobicContact CG-CD1 4.47Å; R412-F417 HydrophobicContact CG-CE1 4.39Å; R412-F417 WeakPolarHBondContact O-CE1 3.07Å; R412-A420 HydrophobicContact CG-CB 4.16Å; R412-T446 HydrophobicContact CB-CG2 4.05Å; R412-T446 PolarHBondContact NH2-OG1 3.03Å; R412-H448 PolarHBondContact O-NE2 2.8Å |
| 413 | H | 97.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 27% | 0.269 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 175.1 | -82.9 | -67.1 | 0 | 0 | 0 | 112.8 | E40 L409 D410 G415 S443 H448 | E40-H413 VanDerWaalsContact CD-NE2 3.35Å; E40-H413 IonicContact OE1-CD2 3.68Å; E40-H413 IonicContact OE1-NE2 3.76Å; E40-H413 PolarHBondContact OE1-NE2 3.12Å; E40-H413 IonicContact OE2-CD2 2.9Å; E40-H413 IonicContact OE2-CE1 2.82Å; E40-H413 IonicContact OE2-NE2 3.23Å; E40-H413 PolarHBondContact OE2-NE2 2.8Å; L409-H413 PolarHBondContact O-CD2 2.93Å; L409-H413 PolarHBondContact O-N 2.89Å; D410-H413 PolarHBondContact O-N 3.41Å; H413-G415 PolarHBondContact O-N 2.8Å; H413-S443 PolarHBondContact CE1-O 3.39Å; H413-S443 VanDerWaalsContact CE1-O 3.28Å; H413-H448 PolarHBondContact O-CE1 2.88Å; H413-H448 VanDerWaalsContact O-CE1 3.28Å |
| 414 | Q | 97.4 | Very high | 96.7 | Very high | 113 Ų | 113 | 36 Ų | 36 | 53% | 0.528 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13.3 | 177.1 | -69 | 175.4 | 17.7 | 0 | 0 | 113.7 | D410 R412 T416 | D410-Q414 WeakPolarHBondContact O-CB 3.47Å; D410-Q414 VanDerWaalsContact O-CG 3.3Å; D410-Q414 WeakPolarHBondContact O-CG 3.11Å; D410-Q414 PolarHBondContact O-N 2.92Å; D410-Q414 PolarHBondContact OD1-NE2 3.01Å; D410-Q414 PolarHBondContact OD2-NE2 3.2Å; R412-Q414 VanDerWaalsContact C-N 3.34Å; R412-Q414 PolarHBondContact O-N 2.94Å; Q414-T416 VanDerWaalsContact C-N 3.27Å; Q414-T416 HydrophobicContact CB-CG2 4.14Å; Q414-T416 PolarHBondContact O-N 3.37Å |
| 415 | G | 97.4 | Very high | 97 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 22.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N286 T411 R412 H413 F417 H448 | N286-G415 PolarHBondContact ND2-O 2.66Å; T411-G415 PolarHBondContact O-N 2.85Å; R412-G415 PolarHBondContact O-N 2.91Å; H413-G415 PolarHBondContact O-N 2.8Å; G415-F417 PolarHBondContact O-N 3.39Å; G415-H448 WeakPolarHBondContact CA-NE2 3.38Å |
| 416 | T | 97.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 32.2 Ų | 32.2 | 53% | 0.528 | 18% | 0.176 | S | C | . | . | trans | -90.2 | 33 | -177.1 | 51.6 | 0 | 0 | 0 | 0 | 113 | T411 Q414 | T411-T416 WeakPolarHBondContact CG2-OG1 3.19Å; T411-T416 PolarHBondContact O-N 3.38Å; T411-T416 VanDerWaalsContact O-N 3.15Å; T411-T416 PolarHBondContact O-OG1 2.7Å; Q414-T416 VanDerWaalsContact C-N 3.27Å; Q414-T416 HydrophobicContact CB-CG2 4.14Å; Q414-T416 PolarHBondContact O-N 3.37Å | ||
| 417 | F | 98.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | -129.5 | 166.8 | 179 | 71.5 | -79.6 | 0 | 0 | 0 | 111.7 | E284 N286 K289 L372 T411 R412 G415 A420 T446 | E284-F417 HydrophobicContact CG-CE2 4.24Å; E284-F417 HydrophobicContact CG-CZ 4.15Å; N286-F417 HydrophobicContact CB-CD2 4.24Å; N286-F417 HydrophobicContact CB-CE1 4.23Å; N286-F417 HydrophobicContact CB-CE2 3.83Å; N286-F417 HydrophobicContact CB-CZ 3.82Å; N286-F417 PolarHBondContact ND2-O 3.25Å; K289-F417 WeakPolarHBondContact CD-O 3.3Å; K289-F417 PolarHBondContact NZ-O 2.86Å; L372-F417 HydrophobicContact CB-CB 4.5Å; L372-F417 HydrophobicContact CD2-CB 3.95Å; T411-F417 HydrophobicContact CG2-CB 4.36Å; R412-F417 HydrophobicContact CB-CE1 4.32Å; R412-F417 HydrophobicContact CG-CD1 4.47Å; R412-F417 HydrophobicContact CG-CE1 4.39Å; R412-F417 WeakPolarHBondContact O-CE1 3.07Å; G415-F417 PolarHBondContact O-N 3.39Å; F417-A420 HydrophobicContact CD2-CB 3.66Å; F417-A420 HydrophobicContact CE2-CB 3.83Å; F417-A420 HydrophobicContact CG-CB 4.33Å; F417-T446 WeakPolarHBondContact CZ-O 3.46Å | ||
| 418 | D | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 25 Ų | 25 | 10% | 0.096 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -97.4 | -67 | 174 | -67.9 | -19.5 | 0 | 0 | 0 | 109.7 | N286 K289 F292 N370 | N286-D418 PolarHBondContact N-O 3.21Å; N286-D418 VanDerWaalsContact N-O 3.13Å; K289-D418 VanDerWaalsContact CE-OD1 3.22Å; K289-D418 WeakPolarHBondContact CE-OD1 3.49Å; K289-D418 IonicContact NZ-OD1 3.91Å; K289-D418 PolarHBondContact NZ-OD1 3.43Å; F292-D418 HydrophobicContact CE2-CB 3.46Å; F292-D418 VanDerWaalsContact CE2-CB 3.46Å; F292-D418 HydrophobicContact CZ-CB 3.67Å; N370-D418 HydrophobicContact CB-CB 4.43Å; N370-D418 WeakPolarHBondContact CB-OD2 3.38Å; N370-D418 PolarHBondContact N-OD2 3.07Å; N370-D418 PolarHBondContact ND2-OD2 2.87Å; N370-D418 WeakPolarHBondContact O-CB 3.33Å |
| 419 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.9 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | Y283 E284 I285 F292 L301 I369 N370 L371 L372 | Y283-V419 HydrophobicContact CD1-CG1 4.45Å; Y283-V419 HydrophobicContact CG-CG1 4.42Å; E284-V419 CarbonylContact O-C 3.6Å; E284-V419 VanDerWaalsContact O-CA 3.28Å; E284-V419 WeakPolarHBondContact O-CA 3.2Å; E284-V419 WeakPolarHBondContact O-CG1 3.45Å; I285-V419 HydrophobicContact CG1-CG2 4.41Å; F292-V419 HydrophobicContact CD1-CG2 4.38Å; F292-V419 HydrophobicContact CE1-CG2 3.75Å; F292-V419 HydrophobicContact CZ-CG2 4.02Å; L301-V419 HydrophobicContact CD1-CG2 4.21Å; I369-V419 HydrophobicContact CD1-CG2 4.05Å; N370-V419 PolarHBondContact O-N 3.39Å; L371-V419 WeakPolarHBondContact CA-O 3.48Å; L371-V419 HydrophobicContact CD1-CB 4.27Å; L371-V419 HydrophobicContact CD1-CG1 3.85Å; L372-V419 PolarHBondContact N-O 3.02Å |
| 420 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y283 E284 L372 F408 R412 F417 | Y283-A420 CarbonylContact C-O 3.53Å; Y283-A420 WeakPolarHBondContact CA-O 3.21Å; E284-A420 HydrophobicContact CB-CB 4.44Å; E284-A420 PolarHBondContact N-O 3.35Å; E284-A420 PolarHBondContact O-N 2.9Å; L372-A420 HydrophobicContact CB-CB 4.27Å; L372-A420 HydrophobicContact CD2-CB 4.5Å; L372-A420 CarbonylContact O-C 3.55Å; L372-A420 VanDerWaalsContact O-CA 3.29Å; L372-A420 WeakPolarHBondContact O-CA 3.2Å; F408-A420 HydrophobicContact CE2-CB 4.31Å; R412-A420 HydrophobicContact CG-CB 4.16Å; F417-A420 HydrophobicContact CD2-CB 3.66Å; F417-A420 HydrophobicContact CE2-CB 3.83Å; F417-A420 HydrophobicContact CG-CB 4.33Å |
| 421 | R | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 6% | 0.06 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 135.5 | 160 | 173.5 | -89.7 | 160.8 | 176.9 | -4.3 | 107.6 | Y281 Y283 L372 N374 H379 F408 Y493 | Y281-R421 HydrophobicContact CE1-CG 4.05Å; Y281-R421 HydrophobicContact CE2-CG 3.83Å; Y281-R421 VanDerWaalsContact CE2-NE 3.28Å; Y281-R421 WeakPolarHBondContact OH-CG 3.42Å; Y283-R421 HydrophobicContact CD1-CB 4.32Å; Y283-R421 HydrophobicContact CE1-CB 4.09Å; L372-R421 PolarHBondContact O-N 2.82Å; N374-R421 PolarHBondContact OD1-NH1 3.36Å; H379-R421 PolarHBondContact CE1-NH2 3.27Å; H379-R421 VanDerWaalsContact CE1-NH2 3.35Å; H379-R421 PolarHBondContact NE2-NH1 2.94Å; F408-R421 WeakPolarHBondContact CZ-O 3.23Å; R421-Y493 PolarHBondContact NH2-OH 3.43Å |
| 422 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 161.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y282 E284 | Y282-A422 HydrophobicContact CD1-CB 4.21Å; Y282-A422 HydrophobicContact CD2-CB 3.91Å; Y282-A422 HydrophobicContact CE1-CB 3.77Å; Y282-A422 HydrophobicContact CE2-CB 3.46Å; Y282-A422 VanDerWaalsContact CE2-CB 3.46Å; Y282-A422 HydrophobicContact CG-CB 4.27Å; Y282-A422 PolarHBondContact N-O 3.19Å; Y282-A422 VanDerWaalsContact N-O 3.1Å; Y282-A422 PolarHBondContact O-N 3.15Å; Y282-A422 VanDerWaalsContact O-O 3.12Å; E284-A422 HydrophobicContact CB-CB 3.96Å |
| 423 | G | 97.9 | Very high | 98 | Very high | 27 Ų | 27 | 22.4 Ų | 22.4 | 28% | 0.278 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 124.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108 | T280 | T280-G423 WeakPolarHBondContact O-CA 3.29Å |
| 424 | W | 98.6 | Very high | 98.1 | Very high | 21 Ų | 21 | 19.6 Ų | 19.6 | 8% | 0.08 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.8 | 172.5 | -175.9 | -103.8 | 0 | 0 | 0 | 108.8 | Y117 C279 T280 Y282 Y325 D427 S433 F434 T437 M444 | Y117-W424 HydrophobicContact CE1-CH2 4.04Å; Y117-W424 AromaticContact CZ-CH2 3.82Å; Y117-W424 WeakPolarHBondContact OH-CH2 3.42Å; C279-W424 CarbonylContact C-O 3.58Å; C279-W424 WeakPolarHBondContact CA-O 3.34Å; C279-W424 VanDerWaalsContact CB-O 3.23Å; C279-W424 WeakPolarHBondContact CB-O 3.35Å; T280-W424 PolarHBondContact N-O 3.16Å; T280-W424 PolarHBondContact O-N 2.77Å; T280-W424 VanDerWaalsContact O-N 3.14Å; Y282-W424 HydrophobicContact CE1-CB 4.02Å; Y325-W424 HydrophobicContact CE2-CB 3.8Å; Y325-W424 HydrophobicContact CE2-CG 4.36Å; Y325-W424 AromaticContact CZ-CG 3.95Å; Y325-W424 VanDerWaalsContact OH-CB 3.24Å; Y325-W424 WeakPolarHBondContact OH-CB 3.43Å; W424-D427 WeakPolarHBondContact CZ2-OD2 3.5Å; W424-S433 PolarHBondContact NE1-O 2.9Å; W424-F434 AromaticContact CD1-CD1 3.38Å; W424-F434 AromaticContact CD1-CE1 3.58Å; W424-F434 AromaticContact CD1-CG 3.87Å; W424-F434 HydrophobicContact CG-CD1 4.36Å; W424-F434 HydrophobicContact CG-CE1 4.45Å; W424-T437 HydrophobicContact CD2-CG2 4.05Å; W424-T437 VanDerWaalsContact CE2-CG2 3.47Å; W424-T437 HydrophobicContact CE3-CG2 4.39Å; W424-T437 HydrophobicContact CH2-CG2 3.66Å; W424-T437 HydrophobicContact CZ2-CG2 3.26Å; W424-T437 HydrophobicContact CZ3-CG2 4.22Å; W424-M444 HydrophobicContact CH2-CB 4.48Å; W424-M444 HydrophobicContact CH2-CE 3.75Å; W424-M444 HydrophobicContact CH2-CG 4.25Å; W424-M444 HydrophobicContact CZ3-CE 3.38Å |
| 425 | C | 98.4 | Very high | 98.1 | Very high | 26 Ų | 26 | 14.2 Ų | 14.2 | 18% | 0.176 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143 | 175.4 | -70.6 | 0 | 0 | 0 | 0 | 108.5 | V42 L278 C279 D427 | V42-C425 HydrophobicContact CG2-CB 4.46Å; L278-C425 CarbonylContact O-C 3.57Å; L278-C425 WeakPolarHBondContact O-CA 3.43Å; C279-C425 HydrophobicContact CB-CB 4Å; C279-C425 WeakPolarHBondContact CB-SG 3.31Å; C279-C425 WeakPolarHBondContact SG-CA 3.47Å; C279-C425 WeakPolarHBondContact SG-CB 3.43Å; C279-C425 CovalentContact SG-SG 2.03Å; C279-C425 PolarHBondContact SG-SG 2.82Å; C425-D427 PolarHBondContact O-N 2.81Å |
| 426 | A | 98.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 13.9 Ų | 13.9 | 5% | 0.05 | 8% | 0.083 | C | C | . | . | trans | -60.8 | 132.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L278 Y428 S433 F434 L512 | L278-A426 HydrophobicContact CB-CB 3.9Å; L278-A426 PolarHBondContact O-N 3.28Å; A426-Y428 WeakPolarHBondContact CB-O 3.46Å; A426-S433 VanDerWaalsContact CA-OG 3.3Å; A426-S433 WeakPolarHBondContact CA-OG 3.43Å; A426-F434 HydrophobicContact CB-CD2 4.48Å; A426-F434 HydrophobicContact CB-CE2 3.65Å; A426-F434 HydrophobicContact CB-CZ 4.12Å; A426-L512 HydrophobicContact CB-CD2 3.46Å; A426-L512 VanDerWaalsContact CB-CD2 3.46Å | ||
| 427 | D | 98 | Very high | 98.2 | Very high | 18 Ų | 18 | 9.9 Ų | 9.9 | 10% | 0.096 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -79.7 | -30.2 | 168.9 | -63.1 | -35 | 0 | 0 | 0 | 111.3 | Y117 Y120 H169 W424 C425 S433 | Y117-D427 VanDerWaalsContact CE1-OD2 3.23Å; Y117-D427 WeakPolarHBondContact CE1-OD2 3.25Å; Y117-D427 VanDerWaalsContact OH-CG 3.25Å; Y117-D427 PolarHBondContact OH-OD1 3.27Å; Y117-D427 PolarHBondContact OH-OD2 3.21Å; Y120-D427 HydrophobicContact CE2-CB 3.75Å; Y120-D427 WeakPolarHBondContact CE2-OD2 3.48Å; Y120-D427 WeakPolarHBondContact OH-CB 3.32Å; H169-D427 HydrophobicContact CB-CB 4.45Å; H169-D427 VanDerWaalsContact CD2-CG 3.44Å; H169-D427 IonicContact CD2-OD1 3.19Å; H169-D427 PolarHBondContact CD2-OD1 3.11Å; H169-D427 VanDerWaalsContact CD2-OD1 3.23Å; H169-D427 IonicContact NE2-OD1 2.94Å; H169-D427 PolarHBondContact NE2-OD1 3.01Å; W424-D427 WeakPolarHBondContact CZ2-OD2 3.5Å; C425-D427 PolarHBondContact O-N 2.81Å; D427-S433 PolarHBondContact N-OG 2.87Å |
| 428 | Y | 97.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -144.8 | 151.1 | 173.7 | 55.3 | -81.9 | 0 | 0 | 0 | 110.2 | Y120 Y162 K165 L166 A426 E430 T432 S433 N436 | Y120-Y428 HydrophobicContact CE2-CD1 4.49Å; Y120-Y428 HydrophobicContact CE2-CE1 4.33Å; Y120-Y428 WeakPolarHBondContact OH-CD1 3.42Å; Y162-Y428 HydrophobicContact CD2-CE2 4.22Å; Y162-Y428 HydrophobicContact CE2-CE2 4.34Å; K165-Y428 WeakPolarHBondContact O-CB 3.46Å; L166-Y428 HydrophobicContact CB-CD1 4.42Å; L166-Y428 HydrophobicContact CD1-CD1 3.88Å; L166-Y428 HydrophobicContact CD1-CD2 3.65Å; L166-Y428 HydrophobicContact CD1-CE1 3.87Å; L166-Y428 HydrophobicContact CD1-CE2 3.6Å; L166-Y428 HydrophobicContact CD1-CG 3.78Å; L166-Y428 HydrophobicContact CD2-CE1 4.33Å; L166-Y428 HydrophobicContact CG-CD1 3.68Å; L166-Y428 HydrophobicContact CG-CD2 4.38Å; L166-Y428 HydrophobicContact CG-CE1 3.62Å; L166-Y428 HydrophobicContact CG-CE2 4.3Å; L166-Y428 HydrophobicContact CG-CG 4.08Å; A426-Y428 WeakPolarHBondContact CB-O 3.46Å; Y428-E430 HydrophobicContact CD2-CB 3.65Å; Y428-E430 HydrophobicContact CE2-CB 3.79Å; Y428-E430 PolarHBondContact O-N 3.02Å; Y428-T432 VanDerWaalsContact CE2-OG1 3.28Å; Y428-T432 WeakPolarHBondContact CE2-OG1 3.28Å; Y428-T432 VanDerWaalsContact OH-C 3.32Å; Y428-T432 PolarHBondContact OH-OG1 2.97Å; Y428-S433 VanDerWaalsContact CZ-CA 3.5Å; Y428-S433 PolarHBondContact N-OG 2.99Å; Y428-S433 WeakPolarHBondContact O-CB 3.27Å; Y428-S433 PolarHBondContact O-OG 3.27Å; Y428-S433 PolarHBondContact OH-N 3.47Å; Y428-N436 PolarHBondContact OH-ND2 2.87Å |
| 429 | N | 97.2 | Very high | 98.2 | Very high | 43 Ų | 43 | 10 Ų | 10 | 23% | 0.23 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -82.5 | 81.2 | -176 | -168.7 | 4.3 | 0 | 0 | 0 | 111.6 | K165 L278 D331 L512 | K165-N429 PolarHBondContact NZ-O 3.38Å; L278-N429 HydrophobicContact CD1-CB 4.1Å; L278-N429 VanDerWaalsContact CD1-CG 3.46Å; L278-N429 VanDerWaalsContact CD1-OD1 3.23Å; L278-N429 WeakPolarHBondContact CD1-OD1 3.45Å; D331-N429 WeakPolarHBondContact CB-OD1 3.16Å; D331-N429 PolarHBondContact N-OD1 2.82Å; N429-L512 HydrophobicContact CB-CD2 4.39Å |
| 430 | E | 96.9 | Very high | 98.2 | Very high | 13 Ų | 13 | 11.3 Ų | 11.3 | 6% | 0.061 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -164.7 | 147.4 | 176.6 | -154.1 | -80.8 | 162.3 | 0 | 0 | 109 | Y162 Y428 T432 S433 Y474 | Y162-E430 HydrophobicContact CD1-CG 3.84Å; Y162-E430 HydrophobicContact CD2-CG 4.41Å; Y162-E430 HydrophobicContact CE1-CG 4.27Å; Y162-E430 HydrophobicContact CG-CG 3.91Å; Y428-E430 HydrophobicContact CD2-CB 3.65Å; Y428-E430 HydrophobicContact CE2-CB 3.79Å; Y428-E430 PolarHBondContact O-N 3.02Å; E430-T432 VanDerWaalsContact C-N 3.29Å; E430-T432 PolarHBondContact O-N 2.79Å; E430-T432 WeakPolarHBondContact OE2-CB 3.49Å; E430-T432 VanDerWaalsContact OE2-CG2 3.25Å; E430-T432 WeakPolarHBondContact OE2-CG2 3.46Å; E430-T432 PolarHBondContact OE2-N 3.39Å; E430-T432 PolarHBondContact OE2-OG1 3.5Å; E430-S433 WeakPolarHBondContact O-CB 3.29Å; E430-S433 PolarHBondContact O-N 2.94Å; E430-S433 VanDerWaalsContact O-N 3.09Å; E430-Y474 WeakPolarHBondContact OE1-CE2 3.25Å; E430-Y474 PolarHBondContact OE1-OH 2.81Å |
| 431 | P | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.5 | -170.2 | -28.1 | 42.2 | 0 | 0 | 0 | 114.9 | T326 T330 D331 A333 S433 F434 L435 Y474 | T326-P431 HydrophobicContact CG2-CB 4.06Å; T330-P431 HydrophobicContact CG2-CG 4.19Å; D331-P431 VanDerWaalsContact O-CD 3.23Å; D331-P431 WeakPolarHBondContact O-CD 3.05Å; A333-P431 HydrophobicContact CB-CG 4.14Å; P431-S433 PolarHBondContact O-N 2.76Å; P431-F434 PolarHBondContact O-N 3.19Å; P431-L435 HydrophobicContact CB-CD1 4.22Å; P431-L435 WeakPolarHBondContact O-CG 3.45Å; P431-L435 PolarHBondContact O-N 2.98Å; P431-Y474 HydrophobicContact CB-CD1 4.41Å; P431-Y474 HydrophobicContact CB-CD2 3.69Å; P431-Y474 HydrophobicContact CB-CE2 4.01Å; P431-Y474 HydrophobicContact CB-CG 3.89Å; P431-Y474 HydrophobicContact CG-CD2 3.57Å; P431-Y474 HydrophobicContact CG-CE2 3.82Å; P431-Y474 HydrophobicContact CG-CG 4.27Å |
| 432 | T | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -24.1 | 176.6 | 61 | 0 | 0 | 0 | 0 | 112.9 | Y162 Y428 E430 F434 L435 N436 M458 Y474 | Y162-T432 WeakPolarHBondContact OH-CG2 3.34Å; Y428-T432 VanDerWaalsContact CE2-OG1 3.28Å; Y428-T432 WeakPolarHBondContact CE2-OG1 3.28Å; Y428-T432 VanDerWaalsContact OH-C 3.32Å; Y428-T432 PolarHBondContact OH-OG1 2.97Å; E430-T432 VanDerWaalsContact C-N 3.29Å; E430-T432 PolarHBondContact O-N 2.79Å; E430-T432 WeakPolarHBondContact OE2-CB 3.49Å; E430-T432 VanDerWaalsContact OE2-CG2 3.25Å; E430-T432 WeakPolarHBondContact OE2-CG2 3.46Å; E430-T432 PolarHBondContact OE2-N 3.39Å; E430-T432 PolarHBondContact OE2-OG1 3.5Å; T432-F434 PolarHBondContact O-N 3.41Å; T432-L435 PolarHBondContact O-N 3.47Å; T432-N436 WeakPolarHBondContact CB-ND2 3.44Å; T432-N436 WeakPolarHBondContact O-CB 3.5Å; T432-N436 PolarHBondContact O-N 3.16Å; T432-N436 PolarHBondContact O-ND2 3.32Å; T432-M458 HydrophobicContact CG2-CE 3.93Å; T432-Y474 HydrophobicContact CG2-CE1 3.49Å; T432-Y474 VanDerWaalsContact CG2-CE1 3.49Å; T432-Y474 VanDerWaalsContact CG2-OH 3.29Å; T432-Y474 WeakPolarHBondContact CG2-OH 3.43Å |
| 433 | S | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.4 | -29.7 | 172.5 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | W424 A426 D427 Y428 E430 P431 | W424-S433 PolarHBondContact NE1-O 2.9Å; A426-S433 VanDerWaalsContact CA-OG 3.3Å; A426-S433 WeakPolarHBondContact CA-OG 3.43Å; D427-S433 PolarHBondContact N-OG 2.87Å; Y428-S433 VanDerWaalsContact CZ-CA 3.5Å; Y428-S433 PolarHBondContact N-OG 2.99Å; Y428-S433 WeakPolarHBondContact O-CB 3.27Å; Y428-S433 PolarHBondContact O-OG 3.27Å; Y428-S433 PolarHBondContact OH-N 3.47Å; E430-S433 WeakPolarHBondContact O-CB 3.29Å; E430-S433 PolarHBondContact O-N 2.94Å; E430-S433 VanDerWaalsContact O-N 3.09Å; P431-S433 PolarHBondContact O-N 2.76Å |
| 434 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -90.6 | -59.1 | 169.3 | -70.7 | -100.9 | 0 | 0 | 0 | 110.2 | L278 Y325 T326 P327 W424 A426 P431 T432 N436 T437 | L278-F434 WeakPolarHBondContact O-CZ 3.33Å; Y325-F434 HydrophobicContact CD1-CB 4Å; Y325-F434 HydrophobicContact CD2-CD1 4.44Å; Y325-F434 HydrophobicContact CE1-CB 4.01Å; Y325-F434 HydrophobicContact CE1-CD1 4.45Å; Y325-F434 VanDerWaalsContact CE1-O 3.24Å; Y325-F434 WeakPolarHBondContact CE1-O 3.35Å; Y325-F434 HydrophobicContact CE2-CD1 4.33Å; Y325-F434 WeakPolarHBondContact O-CD1 3.48Å; T326-F434 HydrophobicContact CG2-CB 4.34Å; T326-F434 HydrophobicContact CG2-CD2 3.94Å; T326-F434 HydrophobicContact CG2-CG 4.19Å; T326-F434 WeakPolarHBondContact OG1-CB 3.39Å; P327-F434 VanDerWaalsContact CD-CE2 3.42Å; P327-F434 HydrophobicContact CG-CE1 3.92Å; P327-F434 HydrophobicContact CG-CE2 4.1Å; P327-F434 HydrophobicContact CG-CZ 3.52Å; W424-F434 AromaticContact CD1-CD1 3.38Å; W424-F434 AromaticContact CD1-CE1 3.58Å; W424-F434 AromaticContact CD1-CG 3.87Å; W424-F434 HydrophobicContact CG-CD1 4.36Å; W424-F434 HydrophobicContact CG-CE1 4.45Å; A426-F434 HydrophobicContact CB-CD2 4.48Å; A426-F434 HydrophobicContact CB-CE2 3.65Å; A426-F434 HydrophobicContact CB-CZ 4.12Å; P431-F434 PolarHBondContact O-N 3.19Å; T432-F434 PolarHBondContact O-N 3.41Å; F434-N436 VanDerWaalsContact C-N 3.29Å; F434-N436 PolarHBondContact O-N 2.91Å; F434-T437 WeakPolarHBondContact O-CB 3.42Å; F434-T437 PolarHBondContact O-N 3.42Å; F434-T437 PolarHBondContact O-OG1 3.07Å |
| 435 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.3 | -34.3 | -167.7 | -64.7 | 171.2 | 0 | 0 | 0 | 113.6 | P431 T432 T437 M438 F454 M458 Y474 A477 E478 L481 | P431-L435 HydrophobicContact CB-CD1 4.22Å; P431-L435 WeakPolarHBondContact O-CG 3.45Å; P431-L435 PolarHBondContact O-N 2.98Å; T432-L435 PolarHBondContact O-N 3.47Å; L435-T437 PolarHBondContact O-N 3.13Å; L435-M438 PolarHBondContact O-N 3.1Å; L435-F454 HydrophobicContact CB-CZ 4.12Å; L435-F454 HydrophobicContact CD2-CE2 4.16Å; L435-F454 HydrophobicContact CD2-CZ 4.16Å; L435-F454 WeakPolarHBondContact O-CE1 3.03Å; L435-F454 VanDerWaalsContact O-CZ 3.32Å; L435-F454 WeakPolarHBondContact O-CZ 3.23Å; L435-M458 HydrophobicContact CB-CE 3.53Å; L435-M458 HydrophobicContact CB-SD 3.75Å; L435-M458 HydrophobicContact CD1-CE 4.22Å; L435-M458 HydrophobicContact CD1-SD 3.94Å; L435-M458 HydrophobicContact CG-SD 4.4Å; L435-Y474 HydrophobicContact CD1-CD1 3.71Å; L435-Y474 HydrophobicContact CD1-CG 4.09Å; L435-A477 HydrophobicContact CD1-CB 4.1Å; L435-A477 HydrophobicContact CD2-CB 4.19Å; L435-E478 HydrophobicContact CD2-CG 4.09Å; L435-L481 HydrophobicContact CD2-CD1 3.99Å |
| 436 | N | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 15 Ų | 15 | 4% | 0.043 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -64.3 | -25.5 | 179.9 | -72.8 | -11.9 | 0 | 0 | 0 | 113 | Y123 Y428 T432 F434 M438 L439 S442 M458 | Y123-N436 WeakPolarHBondContact CB-ND2 3.43Å; Y123-N436 HydrophobicContact CD1-CB 3.51Å; Y123-N436 HydrophobicContact CD2-CB 4.16Å; Y123-N436 HydrophobicContact CE1-CB 3.6Å; Y123-N436 HydrophobicContact CE2-CB 4.22Å; Y123-N436 HydrophobicContact CG-CB 3.83Å; Y428-N436 PolarHBondContact OH-ND2 2.87Å; T432-N436 WeakPolarHBondContact CB-ND2 3.44Å; T432-N436 WeakPolarHBondContact O-CB 3.5Å; T432-N436 PolarHBondContact O-N 3.16Å; T432-N436 PolarHBondContact O-ND2 3.32Å; F434-N436 VanDerWaalsContact C-N 3.29Å; F434-N436 PolarHBondContact O-N 2.91Å; N436-M438 PolarHBondContact O-N 2.84Å; N436-L439 HydrophobicContact CB-CD1 4.15Å; N436-L439 WeakPolarHBondContact O-CB 3.07Å; N436-L439 PolarHBondContact O-N 2.74Å; N436-S442 VanDerWaalsContact O-CB 3.27Å; N436-S442 WeakPolarHBondContact O-CB 3.11Å; N436-S442 PolarHBondContact O-OG 3.47Å; N436-M458 VanDerWaalsContact OD1-CE 3.29Å; N436-M458 WeakPolarHBondContact OD1-CE 3.47Å |
| 437 | T | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -67.4 | -15.4 | 174.8 | 67 | 0 | 0 | 0 | 0 | 113.3 | Y325 W424 F434 L435 M444 N445 | Y325-T437 VanDerWaalsContact CE1-OG1 3.25Å; Y325-T437 WeakPolarHBondContact CE1-OG1 3.32Å; Y325-T437 PolarHBondContact OH-OG1 3.29Å; W424-T437 HydrophobicContact CD2-CG2 4.05Å; W424-T437 VanDerWaalsContact CE2-CG2 3.47Å; W424-T437 HydrophobicContact CE3-CG2 4.39Å; W424-T437 HydrophobicContact CH2-CG2 3.66Å; W424-T437 HydrophobicContact CZ2-CG2 3.26Å; W424-T437 HydrophobicContact CZ3-CG2 4.22Å; F434-T437 WeakPolarHBondContact O-CB 3.42Å; F434-T437 PolarHBondContact O-N 3.42Å; F434-T437 PolarHBondContact O-OG1 3.07Å; L435-T437 PolarHBondContact O-N 3.13Å; T437-M444 HydrophobicContact CG2-CB 4.03Å; T437-N445 WeakPolarHBondContact O-CA 3.46Å; T437-N445 WeakPolarHBondContact O-CB 3.46Å |
| 438 | M | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.02 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -99.2 | 0.5 | 178.1 | -65.3 | -70 | 171.8 | 0 | 0 | 113.1 | Y325 L435 N436 N445 A447 Y449 F454 L481 I487 | Y325-M438 HydrophobicContact CD1-CE 4.02Å; Y325-M438 HydrophobicContact CD1-CG 4.07Å; Y325-M438 HydrophobicContact CD2-CE 4.47Å; Y325-M438 HydrophobicContact CE1-CE 3.68Å; Y325-M438 HydrophobicContact CE1-CG 3.91Å; Y325-M438 HydrophobicContact CE2-CE 4.21Å; Y325-M438 HydrophobicContact CG-CE 4.39Å; L435-M438 PolarHBondContact O-N 3.1Å; N436-M438 PolarHBondContact O-N 2.84Å; M438-N445 PolarHBondContact O-ND2 2.94Å; M438-A447 HydrophobicContact CE-CB 4.47Å; M438-A447 HydrophobicContact SD-CB 4.24Å; M438-Y449 HydrophobicContact CB-CD1 4.26Å; M438-Y449 WeakPolarHBondContact O-CD1 3.46Å; M438-F454 HydrophobicContact CB-CD1 4.46Å; M438-F454 HydrophobicContact CB-CE1 3.72Å; M438-F454 HydrophobicContact CB-CZ 3.77Å; M438-L481 HydrophobicContact CB-CD1 4.32Å; M438-L481 HydrophobicContact CB-CD2 3.93Å; M438-L481 HydrophobicContact CG-CD1 4.03Å; M438-L481 HydrophobicContact CG-CD2 4.01Å; M438-L481 HydrophobicContact SD-CD2 4.42Å; M438-I487 HydrophobicContact CE-CG2 3.73Å |
| 439 | L | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 16.2 Ų | 16.2 | 13% | 0.126 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -60.9 | 140.2 | 171.8 | -71 | 169.7 | 0 | 0 | 0 | 110.1 | N436 N441 S442 N445 F454 D455 M458 | N436-L439 HydrophobicContact CB-CD1 4.15Å; N436-L439 WeakPolarHBondContact O-CB 3.07Å; N436-L439 PolarHBondContact O-N 2.74Å; L439-N441 PolarHBondContact O-N 3.48Å; L439-S442 WeakPolarHBondContact O-CB 3.38Å; L439-S442 PolarHBondContact O-N 3.42Å; L439-N445 PolarHBondContact O-ND2 2.79Å; L439-F454 HydrophobicContact CD2-CD1 4.42Å; L439-F454 HydrophobicContact CD2-CE1 4.25Å; L439-D455 WeakPolarHBondContact CA-OD1 3.42Å; L439-D455 HydrophobicContact CD2-CB 4.41Å; L439-M458 HydrophobicContact CD2-CB 3.73Å; L439-M458 HydrophobicContact CD2-CG 3.94Å |
| 440 | S | 98 | Very high | 98 | Very high | 28 Ų | 28 | 20.5 Ų | 20.5 | 20% | 0.196 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.9 | -173.9 | -59.2 | 0 | 0 | 0 | 0 | 114.6 | K450 S451 D455 | S440-K450 WeakPolarHBondContact OG-CA 3.2Å; S440-S451 PolarHBondContact OG-N 3.34Å; S440-S451 VanDerWaalsContact OG-N 3.12Å; S440-D455 WeakPolarHBondContact CB-OD2 3.23Å; S440-D455 PolarHBondContact N-OD1 3.34Å; S440-D455 VanDerWaalsContact OG-CG 3.32Å; S440-D455 PolarHBondContact OG-OD1 2.88Å; S440-D455 PolarHBondContact OG-OD2 3.08Å |
| 441 | N | 95.8 | Very high | 98.1 | Very high | 91 Ų | 91 | 20.3 Ų | 20.3 | 49% | 0.487 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 6.2 | -179.2 | 64.7 | -12.7 | 0 | 0 | 0 | 113.7 | S119 Q122 L439 S443 | S119-N441 PolarHBondContact OG-O 2.63Å; Q122-N441 PolarHBondContact NE2-ND2 3.11Å; L439-N441 PolarHBondContact O-N 3.48Å; N441-S443 PolarHBondContact O-N 3.44Å |
| 442 | S | 97.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 8% | 0.077 | 14% | 0.139 | C | C | . | . | trans | -68 | 131.6 | 177.2 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | S119 Y123 N436 L439 M444 N445 | S119-S442 WeakPolarHBondContact OG-CA 3.47Å; Y123-S442 PolarHBondContact OH-OG 3.39Å; N436-S442 VanDerWaalsContact O-CB 3.27Å; N436-S442 WeakPolarHBondContact O-CB 3.11Å; N436-S442 PolarHBondContact O-OG 3.47Å; L439-S442 WeakPolarHBondContact O-CB 3.38Å; L439-S442 PolarHBondContact O-N 3.42Å; S442-M444 PolarHBondContact O-N 3.3Å; S442-M444 PolarHBondContact OG-N 2.6Å; S442-N445 WeakPolarHBondContact O-CB 3.5Å; S442-N445 PolarHBondContact O-N 3.03Å; S442-N445 VanDerWaalsContact O-N 3.14Å | ||
| 443 | S | 96.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 27.5 Ų | 27.5 | 22% | 0.217 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.8 | 171.6 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | P116 A118 S119 H413 N441 | P116-S443 CarbonylContact O-C 3.55Å; P116-S443 WeakPolarHBondContact O-CB 3.48Å; P116-S443 PolarHBondContact O-OG 3.06Å; A118-S443 PolarHBondContact N-OG 3.36Å; S119-S443 WeakPolarHBondContact CB-OG 3.45Å; S119-S443 PolarHBondContact N-OG 3.24Å; S119-S443 PolarHBondContact OG-N 3.12Å; S119-S443 PolarHBondContact OG-OG 3Å; H413-S443 PolarHBondContact CE1-O 3.39Å; H413-S443 VanDerWaalsContact CE1-O 3.28Å; N441-S443 PolarHBondContact O-N 3.44Å |
| 444 | M | 96.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 5% | 0.054 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 1.2 | 176.5 | -66 | -53.4 | -65.1 | 0 | 0 | 113.5 | E40 P116 Y117 W424 T437 S442 T446 | E40-M444 HydrophobicContact CB-CE 3.86Å; E40-M444 HydrophobicContact CB-SD 4.32Å; E40-M444 HydrophobicContact CG-CE 4.48Å; P116-M444 HydrophobicContact CB-SD 4.27Å; Y117-M444 HydrophobicContact CD1-CG 4.02Å; Y117-M444 HydrophobicContact CD1-SD 4.17Å; Y117-M444 HydrophobicContact CD2-SD 4.19Å; Y117-M444 HydrophobicContact CE1-CG 4.04Å; Y117-M444 HydrophobicContact CE1-SD 4.28Å; Y117-M444 HydrophobicContact CE2-CE 4.23Å; Y117-M444 HydrophobicContact CE2-SD 4.27Å; Y117-M444 HydrophobicContact CG-SD 4.16Å; W424-M444 HydrophobicContact CH2-CB 4.48Å; W424-M444 HydrophobicContact CH2-CE 3.75Å; W424-M444 HydrophobicContact CH2-CG 4.25Å; W424-M444 HydrophobicContact CZ3-CE 3.38Å; T437-M444 HydrophobicContact CG2-CB 4.03Å; S442-M444 PolarHBondContact O-N 3.3Å; S442-M444 PolarHBondContact OG-N 2.6Å; M444-T446 PolarHBondContact O-N 3.11Å |
| 445 | N | 98.3 | Very high | 98.1 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | trans | -79.1 | 68.4 | -177.7 | -168.4 | -17.5 | 0 | 0 | 0 | 112.4 | T437 M438 L439 S442 A447 H448 Y449 | T437-N445 WeakPolarHBondContact O-CA 3.46Å; T437-N445 WeakPolarHBondContact O-CB 3.46Å; M438-N445 PolarHBondContact O-ND2 2.94Å; L439-N445 PolarHBondContact O-ND2 2.79Å; S442-N445 WeakPolarHBondContact O-CB 3.5Å; S442-N445 PolarHBondContact O-N 3.03Å; S442-N445 VanDerWaalsContact O-N 3.14Å; N445-A447 PolarHBondContact O-N 3.18Å; N445-H448 PolarHBondContact O-N 3.39Å; N445-H448 PolarHBondContact OD1-N 3.35Å; N445-H448 VanDerWaalsContact OD1-N 3.15Å; N445-Y449 PolarHBondContact ND2-O 3.43Å; N445-Y449 PolarHBondContact OD1-N 3.33Å | ||
| 446 | T | 98.2 | Very high | 98.1 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12 | 176.8 | 47.3 | 0 | 0 | 0 | 0 | 113.7 | E284 R412 F417 M444 H448 | E284-T446 VanDerWaalsContact CD-C 3.47Å; E284-T446 VanDerWaalsContact OE2-C 3.31Å; E284-T446 WeakPolarHBondContact OE2-CB 3.3Å; E284-T446 PolarHBondContact OE2-OG1 3.46Å; R412-T446 HydrophobicContact CB-CG2 4.05Å; R412-T446 PolarHBondContact NH2-OG1 3.03Å; F417-T446 WeakPolarHBondContact CZ-O 3.46Å; M444-T446 PolarHBondContact O-N 3.11Å; T446-H448 PolarHBondContact O-CD2 2.71Å; T446-H448 PolarHBondContact O-N 3.41Å; T446-H448 PolarHBondContact O-NE2 2.6Å |
| 447 | A | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -15.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E284 I285 N287 M438 N445 Y449 | E284-A447 HydrophobicContact CG-CB 3.94Å; E284-A447 PolarHBondContact OE2-N 3.21Å; I285-A447 VanDerWaalsContact O-O 3.07Å; N287-A447 PolarHBondContact N-O 2.6Å; M438-A447 HydrophobicContact CE-CB 4.47Å; M438-A447 HydrophobicContact SD-CB 4.24Å; N445-A447 PolarHBondContact O-N 3.18Å; A447-Y449 PolarHBondContact O-N 2.81Å |
| 448 | H | 98.5 | Very high | 98 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | trans | 55.1 | 29.9 | -172.2 | -56.6 | -86.4 | 0 | 0 | 0 | 111.8 | Q288 R412 H413 G415 N445 T446 | Q288-H448 HydrophobicContact CB-CB 4.33Å; Q288-H448 HydrophobicContact CG-CB 3.66Å; Q288-H448 VanDerWaalsContact CG-O 3.28Å; Q288-H448 WeakPolarHBondContact CG-O 3.39Å; Q288-H448 PolarHBondContact NE2-O 3.21Å; R412-H448 PolarHBondContact O-NE2 2.8Å; H413-H448 PolarHBondContact O-CE1 2.88Å; H413-H448 VanDerWaalsContact O-CE1 3.28Å; G415-H448 WeakPolarHBondContact CA-NE2 3.38Å; N445-H448 PolarHBondContact O-N 3.39Å; N445-H448 PolarHBondContact OD1-N 3.35Å; N445-H448 VanDerWaalsContact OD1-N 3.15Å; T446-H448 PolarHBondContact O-CD2 2.71Å; T446-H448 PolarHBondContact O-N 3.41Å; T446-H448 PolarHBondContact O-NE2 2.6Å | ||
| 449 | Y | 98.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | trans | -76.6 | 129.9 | 179.9 | 172.4 | -110 | 0 | 0 | 0 | 109.7 | M438 N445 A447 S451 F454 L481 D484 A486 | M438-Y449 HydrophobicContact CB-CD1 4.26Å; M438-Y449 WeakPolarHBondContact O-CD1 3.46Å; N445-Y449 PolarHBondContact ND2-O 3.43Å; N445-Y449 PolarHBondContact OD1-N 3.33Å; A447-Y449 PolarHBondContact O-N 2.81Å; Y449-S451 WeakPolarHBondContact OH-CB 3.39Å; Y449-S451 PolarHBondContact OH-OG 3.11Å; Y449-F454 HydrophobicContact CE1-CB 3.98Å; Y449-F454 HydrophobicContact CE1-CD1 4.34Å; Y449-F454 HydrophobicContact CE1-CD2 4.49Å; Y449-F454 HydrophobicContact CE1-CG 4.02Å; Y449-L481 HydrophobicContact CD1-CD2 3.81Å; Y449-L481 HydrophobicContact CE1-CD2 3.35Å; Y449-D484 HydrophobicContact CE2-CB 3.77Å; Y449-D484 PolarHBondContact OH-OD2 2.86Å; Y449-A486 HydrophobicContact CD1-CB 4.48Å; Y449-A486 HydrophobicContact CD2-CB 3.75Å; Y449-A486 HydrophobicContact CE2-CB 4.01Å; Y449-A486 HydrophobicContact CG-CB 3.98Å | ||
| 450 | K | 98.5 | Very high | 97.8 | Very high | 134 Ų | 134 | 38.4 Ų | 38.4 | 58% | 0.583 | 22% | 0.223 | S | C | * | . | trans | -132.5 | 116.3 | 178.2 | -61.3 | -168.8 | 177.7 | -164.6 | 0 | 109.6 | S440 | S440-K450 WeakPolarHBondContact OG-CA 3.2Š| ||
| 451 | S | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | trans | -145.5 | 106.9 | -178.5 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | S440 Y449 A453 F454 D455 | S440-S451 PolarHBondContact OG-N 3.34Å; S440-S451 VanDerWaalsContact OG-N 3.12Å; Y449-S451 WeakPolarHBondContact OH-CB 3.39Å; Y449-S451 PolarHBondContact OH-OG 3.11Å; S451-A453 PolarHBondContact O-N 3.07Å; S451-A453 VanDerWaalsContact O-N 3.15Å; S451-F454 WeakPolarHBondContact O-CB 3.42Å; S451-F454 PolarHBondContact O-N 2.87Å; S451-F454 PolarHBondContact OG-N 2.75Å; S451-D455 PolarHBondContact O-N 3.46Å | ||
| 452 | P | 98.1 | Very high | 97.4 | Very high | 106 Ų | 106 | 33.3 Ų | 33.3 | 69% | 0.688 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -57.3 | -29.7 | 174.7 | -25.8 | 34.8 | 0 | 0 | 0 | 113 | S456 | P452-S456 VanDerWaalsContact O-CB 3.26Å; P452-S456 WeakPolarHBondContact O-CB 3.39Å; P452-S456 PolarHBondContact O-N 3.22Å |
| 453 | A | 98.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 37% | 0.372 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.6 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S451 I457 Q480 | S451-A453 PolarHBondContact O-N 3.07Å; S451-A453 VanDerWaalsContact O-N 3.15Å; A453-I457 WeakPolarHBondContact O-CD1 3.25Å; A453-I457 VanDerWaalsContact O-CG1 3.26Å; A453-I457 WeakPolarHBondContact O-CG1 3.46Å; A453-I457 PolarHBondContact O-N 3.26Å; A453-I457 VanDerWaalsContact O-N 3.15Å; A453-Q480 HydrophobicContact CB-CG 4.31Å |
| 454 | F | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -49.1 | 175.5 | -178.9 | -94 | 0 | 0 | 0 | 111.2 | L435 M438 L439 Y449 S451 S456 I457 M458 A477 Q480 L481 | L435-F454 HydrophobicContact CB-CZ 4.12Å; L435-F454 HydrophobicContact CD2-CE2 4.16Å; L435-F454 HydrophobicContact CD2-CZ 4.16Å; L435-F454 WeakPolarHBondContact O-CE1 3.03Å; L435-F454 VanDerWaalsContact O-CZ 3.32Å; L435-F454 WeakPolarHBondContact O-CZ 3.23Å; M438-F454 HydrophobicContact CB-CD1 4.46Å; M438-F454 HydrophobicContact CB-CE1 3.72Å; M438-F454 HydrophobicContact CB-CZ 3.77Å; L439-F454 HydrophobicContact CD2-CD1 4.42Å; L439-F454 HydrophobicContact CD2-CE1 4.25Å; Y449-F454 HydrophobicContact CE1-CB 3.98Å; Y449-F454 HydrophobicContact CE1-CD1 4.34Å; Y449-F454 HydrophobicContact CE1-CD2 4.49Å; Y449-F454 HydrophobicContact CE1-CG 4.02Å; S451-F454 WeakPolarHBondContact O-CB 3.42Å; S451-F454 PolarHBondContact O-N 2.87Å; S451-F454 PolarHBondContact OG-N 2.75Å; F454-S456 VanDerWaalsContact C-N 3.28Å; F454-S456 PolarHBondContact O-N 2.6Å; F454-I457 PolarHBondContact O-N 3.06Å; F454-I457 VanDerWaalsContact O-N 3.12Å; F454-M458 HydrophobicContact CD1-CG 4.1Å; F454-M458 HydrophobicContact CE1-CG 3.65Å; F454-M458 HydrophobicContact CE2-CG 4.43Å; F454-M458 HydrophobicContact CZ-CG 3.83Å; F454-M458 HydrophobicContact CZ-SD 4.11Å; F454-M458 WeakPolarHBondContact O-CG 3.33Å; F454-M458 PolarHBondContact O-N 3.18Å; F454-A477 HydrophobicContact CD2-CB 4.22Å; F454-A477 HydrophobicContact CE2-CB 3.74Å; F454-A477 HydrophobicContact CZ-CB 4.49Å; F454-Q480 HydrophobicContact CB-CG 4.16Å; F454-L481 HydrophobicContact CD2-CD1 4.33Å; F454-L481 HydrophobicContact CD2-CD2 3.9Å; F454-L481 HydrophobicContact CD2-CG 3.71Å; F454-L481 HydrophobicContact CE2-CD1 3.54Å; F454-L481 HydrophobicContact CE2-CD2 3.85Å; F454-L481 HydrophobicContact CE2-CG 3.44Å; F454-L481 VanDerWaalsContact CE2-CG 3.44Å; F454-L481 HydrophobicContact CG-CD2 4.48Å; F454-L481 HydrophobicContact CZ-CD1 4.05Å; F454-L481 HydrophobicContact CZ-CD2 4.4Å; F454-L481 HydrophobicContact CZ-CG 4.29Å |
| 455 | D | 98.4 | Very high | 96.4 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -40.9 | 179.8 | -60.8 | -20.1 | 0 | 0 | 0 | 111.5 | L439 S440 S451 M458 A459 | L439-D455 WeakPolarHBondContact CA-OD1 3.42Å; L439-D455 HydrophobicContact CD2-CB 4.41Å; S440-D455 WeakPolarHBondContact CB-OD2 3.23Å; S440-D455 PolarHBondContact N-OD1 3.34Å; S440-D455 VanDerWaalsContact OG-CG 3.32Å; S440-D455 PolarHBondContact OG-OD1 2.88Å; S440-D455 PolarHBondContact OG-OD2 3.08Å; S451-D455 PolarHBondContact O-N 3.46Å; D455-M458 PolarHBondContact O-N 2.84Å; D455-A459 WeakPolarHBondContact O-CB 3.04Å; D455-A459 PolarHBondContact O-N 2.9Å |
| 456 | S | 98.1 | Very high | 95.9 | Very high | 63 Ų | 63 | 48 Ų | 48 | 44% | 0.441 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | P452 F454 A459 E460 | P452-S456 VanDerWaalsContact O-CB 3.26Å; P452-S456 WeakPolarHBondContact O-CB 3.39Å; P452-S456 PolarHBondContact O-N 3.22Å; F454-S456 VanDerWaalsContact C-N 3.28Å; F454-S456 PolarHBondContact O-N 2.6Å; S456-A459 PolarHBondContact O-N 2.88Å; S456-E460 WeakPolarHBondContact O-CG 3.4Å; S456-E460 PolarHBondContact O-N 2.83Å |
| 457 | I | 98.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -44 | 177.5 | -66.7 | 161.6 | 0 | 0 | 0 | 109.9 | A453 F454 E460 L473 K476 A477 Q480 | A453-I457 WeakPolarHBondContact O-CD1 3.25Å; A453-I457 VanDerWaalsContact O-CG1 3.26Å; A453-I457 WeakPolarHBondContact O-CG1 3.46Å; A453-I457 PolarHBondContact O-N 3.26Å; A453-I457 VanDerWaalsContact O-N 3.15Å; F454-I457 PolarHBondContact O-N 3.06Å; F454-I457 VanDerWaalsContact O-N 3.12Å; I457-E460 WeakPolarHBondContact O-CB 3.35Å; I457-E460 PolarHBondContact O-N 2.93Å; I457-L473 HydrophobicContact CG2-CB 4.46Å; I457-L473 HydrophobicContact CG2-CD2 4.34Å; I457-L473 WeakPolarHBondContact CG2-O 3.36Å; I457-K476 HydrophobicContact CD1-CB 4.4Å; I457-K476 HydrophobicContact CG2-CB 4.1Å; I457-A477 HydrophobicContact CG2-CB 3.93Å; I457-Q480 HydrophobicContact CD1-CB 4.07Å; I457-Q480 HydrophobicContact CD1-CG 4.42Å |
| 458 | M | 97.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.044 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 178.6 | -68.3 | -55 | -62.9 | 0 | 0 | 112.1 | T432 L435 N436 L439 F454 D455 E460 T461 A477 | T432-M458 HydrophobicContact CG2-CE 3.93Å; L435-M458 HydrophobicContact CB-CE 3.53Å; L435-M458 HydrophobicContact CB-SD 3.75Å; L435-M458 HydrophobicContact CD1-CE 4.22Å; L435-M458 HydrophobicContact CD1-SD 3.94Å; L435-M458 HydrophobicContact CG-SD 4.4Å; N436-M458 VanDerWaalsContact OD1-CE 3.29Å; N436-M458 WeakPolarHBondContact OD1-CE 3.47Å; L439-M458 HydrophobicContact CD2-CB 3.73Å; L439-M458 HydrophobicContact CD2-CG 3.94Å; F454-M458 HydrophobicContact CD1-CG 4.1Å; F454-M458 HydrophobicContact CE1-CG 3.65Å; F454-M458 HydrophobicContact CE2-CG 4.43Å; F454-M458 HydrophobicContact CZ-CG 3.83Å; F454-M458 HydrophobicContact CZ-SD 4.11Å; F454-M458 WeakPolarHBondContact O-CG 3.33Å; F454-M458 PolarHBondContact O-N 3.18Å; D455-M458 PolarHBondContact O-N 2.84Å; M458-E460 PolarHBondContact O-N 3.35Å; M458-T461 WeakPolarHBondContact O-CB 3.45Å; M458-T461 WeakPolarHBondContact O-CG2 3.23Å; M458-T461 PolarHBondContact O-N 3.13Å; M458-T461 PolarHBondContact O-OG1 3.26Å; M458-A477 HydrophobicContact SD-CB 3.75Å |
| 459 | A | 95.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.8 | -21.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D455 S456 K463 | D455-A459 WeakPolarHBondContact O-CB 3.04Å; D455-A459 PolarHBondContact O-N 2.9Å; S456-A459 PolarHBondContact O-N 2.88Å; A459-K463 WeakPolarHBondContact O-CE 3.32Å |
| 460 | E | 96.1 | Very high | 94.9 | Very high | 83 Ų | 83 | 60.2 Ų | 60.2 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -77.1 | -24 | 173.5 | -72.4 | 175.9 | -163.9 | 0 | 0 | 113 | S456 I457 M458 L462 K463 V464 L473 | S456-E460 WeakPolarHBondContact O-CG 3.4Å; S456-E460 PolarHBondContact O-N 2.83Å; I457-E460 WeakPolarHBondContact O-CB 3.35Å; I457-E460 PolarHBondContact O-N 2.93Å; M458-E460 PolarHBondContact O-N 3.35Å; E460-L462 PolarHBondContact O-N 3.27Å; E460-K463 PolarHBondContact O-N 2.97Å; E460-K463 VanDerWaalsContact O-N 3.12Å; E460-V464 PolarHBondContact O-N 3.47Å; E460-L473 HydrophobicContact CB-CD1 3.83Å; E460-L473 HydrophobicContact CB-CD2 4.04Å; E460-L473 WeakPolarHBondContact OE2-CD2 3.46Å |
| 461 | T | 95.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24.5 | -172.6 | 66.9 | 0 | 0 | 0 | 0 | 114 | M458 V464 R470 L473 Y474 | M458-T461 WeakPolarHBondContact O-CB 3.45Å; M458-T461 WeakPolarHBondContact O-CG2 3.23Å; M458-T461 PolarHBondContact O-N 3.13Å; M458-T461 PolarHBondContact O-OG1 3.26Å; T461-V464 VanDerWaalsContact O-CG2 3.26Å; T461-V464 WeakPolarHBondContact O-CG2 3.13Å; T461-R470 WeakPolarHBondContact O-CD 3.43Å; T461-R470 WeakPolarHBondContact O-CG 3.28Å; T461-R470 PolarHBondContact O-NE 3.45Å; T461-R470 VanDerWaalsContact O-NE 3.11Å; T461-L473 HydrophobicContact CG2-CB 3.72Å; T461-L473 HydrophobicContact CG2-CD1 4.28Å; T461-Y474 HydrophobicContact CG2-CD1 3.76Å; T461-Y474 HydrophobicContact CG2-CE1 3.49Å; T461-Y474 VanDerWaalsContact CG2-CE1 3.49Å |
| 462 | L | 91.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -9.9 | 177.8 | -67.1 | 179.7 | 0 | 0 | 0 | 113.6 | H125 E158 V160 Y162 E460 V464 | H125-L462 WeakPolarHBondContact CD2-CD1 3.43Å; H125-L462 VanDerWaalsContact CE1-CD1 3.4Å; H125-L462 WeakPolarHBondContact CE1-CD1 3.31Å; H125-L462 WeakPolarHBondContact NE2-CD1 3.25Å; E158-L462 HydrophobicContact CB-CB 4.48Å; E158-L462 WeakPolarHBondContact OE2-CB 3.13Å; V160-L462 HydrophobicContact CG2-CD1 3.98Å; V160-L462 HydrophobicContact CG2-CD2 4.19Å; Y162-L462 HydrophobicContact CE1-CD2 4.24Å; Y162-L462 WeakPolarHBondContact OH-CD2 3.31Å; E460-L462 PolarHBondContact O-N 3.27Å; L462-V464 VanDerWaalsContact C-N 3.34Å |
| 463 | K | 91.7 | Very high | 94.7 | Very high | 142 Ų | 142 | 52 Ų | 52 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -24.7 | 170.1 | -65.3 | 176.4 | -172.9 | 168.3 | 0 | 111.8 | A459 E460 | A459-K463 WeakPolarHBondContact O-CE 3.32Å; E460-K463 PolarHBondContact O-N 2.97Å; E460-K463 VanDerWaalsContact O-N 3.12Å |
| 464 | V | 91.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 50 Ų | 50 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | trans | -86.3 | 131.2 | 176.9 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | E460 T461 L462 Q469 R470 L473 | E460-V464 PolarHBondContact O-N 3.47Å; T461-V464 VanDerWaalsContact O-CG2 3.26Å; T461-V464 WeakPolarHBondContact O-CG2 3.13Å; L462-V464 VanDerWaalsContact C-N 3.34Å; V464-Q469 HydrophobicContact CB-CB 4.06Å; V464-Q469 HydrophobicContact CG1-CB 4.13Å; V464-Q469 HydrophobicContact CG2-CB 4.21Å; V464-R470 HydrophobicContact CG2-CB 3.9Å; V464-R470 HydrophobicContact CG2-CG 4.37Å; V464-R470 PolarHBondContact O-NH2 3.3Å; V464-L473 HydrophobicContact CG1-CD1 4.08Å; V464-L473 HydrophobicContact CG2-CD1 3.99Å | ||
| 465 | T | 84.8 | Confident | 94.5 | Very high | 137 Ų | 137 | 50.8 Ų | 50.8 | 84% | 0.84 | 29% | 0.287 | S | S | * | . | trans | -85.9 | -20.1 | 175.8 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 466 | D | 89.5 | Confident | 94.5 | Very high | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | trans | -89.2 | 132.2 | -178.5 | 177.4 | 67.5 | 0 | 0 | 0 | 112.3 | A468 Q469 R470 | D466-A468 WeakPolarHBondContact OD2-CA 3.3Å; D466-A468 WeakPolarHBondContact OD2-CB 3.32Å; D466-A468 PolarHBondContact OD2-N 3.5Å; D466-A468 VanDerWaalsContact OD2-N 3.11Å; D466-Q469 HydrophobicContact CB-CB 4.22Å; D466-Q469 HydrophobicContact CB-CG 4.1Å; D466-Q469 PolarHBondContact O-N 3.47Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.3Å; D466-Q469 PolarHBondContact OD2-N 3Å; D466-R470 PolarHBondContact O-N 3.49Å | ||
| 467 | E | 90.3 | Very high | 94.5 | Very high | 121 Ų | 121 | 51 Ų | 51 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -69.7 | -32.5 | -177.3 | -168.1 | -176.5 | 148.5 | 0 | 0 | 112.6 | R470 T471 | E467-R470 PolarHBondContact O-N 3.2Å; E467-T471 WeakPolarHBondContact O-CB 3.17Å; E467-T471 PolarHBondContact O-N 2.99Å; E467-T471 PolarHBondContact O-OG1 2.81Å |
| 468 | A | 92.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.7 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | D466 T471 A472 | D466-A468 WeakPolarHBondContact OD2-CA 3.3Å; D466-A468 WeakPolarHBondContact OD2-CB 3.32Å; D466-A468 PolarHBondContact OD2-N 3.5Å; D466-A468 VanDerWaalsContact OD2-N 3.11Å; A468-T471 PolarHBondContact O-N 3.16Å; A468-A472 PolarHBondContact O-N 3.26Å |
| 469 | Q | 94.8 | Very high | 94.5 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 170.3 | -70 | 179.4 | 7.5 | 0 | 0 | 111.6 | V464 D466 A472 L473 | V464-Q469 HydrophobicContact CB-CB 4.06Å; V464-Q469 HydrophobicContact CG1-CB 4.13Å; V464-Q469 HydrophobicContact CG2-CB 4.21Å; D466-Q469 HydrophobicContact CB-CB 4.22Å; D466-Q469 HydrophobicContact CB-CG 4.1Å; D466-Q469 PolarHBondContact O-N 3.47Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.3Å; D466-Q469 PolarHBondContact OD2-N 3Å; Q469-A472 PolarHBondContact O-N 2.74Å; Q469-L473 WeakPolarHBondContact O-CG 3.22Å; Q469-L473 PolarHBondContact O-N 2.84Å |
| 470 | R | 95.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 54 Ų | 54 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 176.2 | -163.1 | 179.5 | -56.2 | 128.4 | 6.5 | 111.9 | T461 V464 D466 E467 A472 L473 Y474 | T461-R470 WeakPolarHBondContact O-CD 3.43Å; T461-R470 WeakPolarHBondContact O-CG 3.28Å; T461-R470 PolarHBondContact O-NE 3.45Å; T461-R470 VanDerWaalsContact O-NE 3.11Å; V464-R470 HydrophobicContact CG2-CB 3.9Å; V464-R470 HydrophobicContact CG2-CG 4.37Å; V464-R470 PolarHBondContact O-NH2 3.3Å; D466-R470 PolarHBondContact O-N 3.49Å; E467-R470 PolarHBondContact O-N 3.2Å; R470-A472 VanDerWaalsContact C-N 3.31Å; R470-A472 PolarHBondContact O-N 3.2Å; R470-L473 WeakPolarHBondContact O-CB 3.43Å; R470-L473 PolarHBondContact O-N 3.22Å; R470-L473 VanDerWaalsContact O-N 3.12Å; R470-Y474 WeakPolarHBondContact CD-OH 3.4Å; R470-Y474 HydrophobicContact CG-CE1 4.07Å; R470-Y474 HydrophobicContact CG-CE2 3.72Å; R470-Y474 VanDerWaalsContact CG-CZ 3.45Å; R470-Y474 WeakPolarHBondContact CG-OH 3.38Å; R470-Y474 WeakPolarHBondContact O-CD2 3.22Å; R470-Y474 PolarHBondContact O-N 3.41Å |
| 471 | T | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.9 | -43.2 | 175 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | G332 K334 E467 A468 L473 Y474 T475 | G332-T471 WeakPolarHBondContact O-CG2 3.42Å; G332-T471 PolarHBondContact O-OG1 3.37Å; K334-T471 HydrophobicContact CB-CG2 3.63Å; K334-T471 HydrophobicContact CD-CG2 4.04Å; K334-T471 HydrophobicContact CG-CG2 3.8Å; E467-T471 WeakPolarHBondContact O-CB 3.17Å; E467-T471 PolarHBondContact O-N 2.99Å; E467-T471 PolarHBondContact O-OG1 2.81Å; A468-T471 PolarHBondContact O-N 3.16Å; T471-L473 VanDerWaalsContact C-N 3.33Å; T471-L473 PolarHBondContact O-N 3.35Å; T471-Y474 PolarHBondContact O-N 2.82Å; T471-T475 PolarHBondContact O-N 2.7Å; T471-T475 VanDerWaalsContact O-N 3.11Å; T471-T475 PolarHBondContact O-OG1 3.19Å |
| 472 | A | 96.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.6 | -35.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A468 Q469 R470 T475 K476 | A468-A472 PolarHBondContact O-N 3.26Å; Q469-A472 PolarHBondContact O-N 2.74Å; R470-A472 VanDerWaalsContact C-N 3.31Å; R470-A472 PolarHBondContact O-N 3.2Å; A472-T475 PolarHBondContact O-N 2.84Å; A472-K476 WeakPolarHBondContact O-CG 3.12Å; A472-K476 PolarHBondContact O-N 3.19Å; A472-K476 VanDerWaalsContact O-N 3.07Å |
| 473 | L | 97.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 174.1 | -71.2 | 166.7 | 0 | 0 | 0 | 111.8 | I457 E460 T461 V464 Q469 R470 T471 T475 K476 A477 | I457-L473 HydrophobicContact CG2-CB 4.46Å; I457-L473 HydrophobicContact CG2-CD2 4.34Å; I457-L473 WeakPolarHBondContact CG2-O 3.36Å; E460-L473 HydrophobicContact CB-CD1 3.83Å; E460-L473 HydrophobicContact CB-CD2 4.04Å; E460-L473 WeakPolarHBondContact OE2-CD2 3.46Å; T461-L473 HydrophobicContact CG2-CB 3.72Å; T461-L473 HydrophobicContact CG2-CD1 4.28Å; V464-L473 HydrophobicContact CG1-CD1 4.08Å; V464-L473 HydrophobicContact CG2-CD1 3.99Å; Q469-L473 WeakPolarHBondContact O-CG 3.22Å; Q469-L473 PolarHBondContact O-N 2.84Å; R470-L473 WeakPolarHBondContact O-CB 3.43Å; R470-L473 PolarHBondContact O-N 3.22Å; R470-L473 VanDerWaalsContact O-N 3.12Å; T471-L473 VanDerWaalsContact C-N 3.33Å; T471-L473 PolarHBondContact O-N 3.35Å; L473-T475 VanDerWaalsContact C-N 3.33Å; L473-T475 PolarHBondContact O-N 2.88Å; L473-K476 HydrophobicContact CD2-CD 4.42Å; L473-K476 WeakPolarHBondContact O-CB 3.34Å; L473-K476 PolarHBondContact O-N 3.3Å; L473-K476 VanDerWaalsContact O-N 3.13Å; L473-A477 PolarHBondContact O-N 2.87Å |
| 474 | Y | 97.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 172.4 | -59.3 | -33.4 | 0 | 0 | 0 | 112.5 | E430 P431 T432 L435 T461 R470 T471 K476 A477 E478 | E430-Y474 WeakPolarHBondContact OE1-CE2 3.25Å; E430-Y474 PolarHBondContact OE1-OH 2.81Å; P431-Y474 HydrophobicContact CB-CD1 4.41Å; P431-Y474 HydrophobicContact CB-CD2 3.69Å; P431-Y474 HydrophobicContact CB-CE2 4.01Å; P431-Y474 HydrophobicContact CB-CG 3.89Å; P431-Y474 HydrophobicContact CG-CD2 3.57Å; P431-Y474 HydrophobicContact CG-CE2 3.82Å; P431-Y474 HydrophobicContact CG-CG 4.27Å; T432-Y474 HydrophobicContact CG2-CE1 3.49Å; T432-Y474 VanDerWaalsContact CG2-CE1 3.49Å; T432-Y474 VanDerWaalsContact CG2-OH 3.29Å; T432-Y474 WeakPolarHBondContact CG2-OH 3.43Å; L435-Y474 HydrophobicContact CD1-CD1 3.71Å; L435-Y474 HydrophobicContact CD1-CG 4.09Å; T461-Y474 HydrophobicContact CG2-CD1 3.76Å; T461-Y474 HydrophobicContact CG2-CE1 3.49Å; T461-Y474 VanDerWaalsContact CG2-CE1 3.49Å; R470-Y474 WeakPolarHBondContact CD-OH 3.4Å; R470-Y474 HydrophobicContact CG-CE1 4.07Å; R470-Y474 HydrophobicContact CG-CE2 3.72Å; R470-Y474 VanDerWaalsContact CG-CZ 3.45Å; R470-Y474 WeakPolarHBondContact CG-OH 3.38Å; R470-Y474 WeakPolarHBondContact O-CD2 3.22Å; R470-Y474 PolarHBondContact O-N 3.41Å; T471-Y474 PolarHBondContact O-N 2.82Å; Y474-K476 VanDerWaalsContact C-N 3.31Å; Y474-K476 PolarHBondContact O-N 2.98Å; Y474-A477 WeakPolarHBondContact O-CB 3.33Å; Y474-A477 PolarHBondContact O-N 3.39Å; Y474-A477 VanDerWaalsContact O-N 3.16Å; Y474-E478 PolarHBondContact O-N 2.81Å |
| 475 | T | 96.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 174.3 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | K334 T471 A472 L473 Q479 | K334-T475 PolarHBondContact O-OG1 3.13Å; T471-T475 PolarHBondContact O-N 2.7Å; T471-T475 VanDerWaalsContact O-N 3.11Å; T471-T475 PolarHBondContact O-OG1 3.19Å; A472-T475 PolarHBondContact O-N 2.84Å; L473-T475 VanDerWaalsContact C-N 3.33Å; L473-T475 PolarHBondContact O-N 2.88Å; T475-Q479 WeakPolarHBondContact O-CB 3.28Å; T475-Q479 WeakPolarHBondContact O-CG 3.48Å; T475-Q479 PolarHBondContact O-N 3.44Å |
| 476 | K | 97.3 | Very high | 96.5 | Very high | 109 Ų | 109 | 45.4 Ų | 45.4 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 173.3 | -71.6 | 177.8 | -178.5 | 177.4 | 0 | 112.5 | I457 A472 L473 Y474 Q479 Q480 | I457-K476 HydrophobicContact CD1-CB 4.4Å; I457-K476 HydrophobicContact CG2-CB 4.1Å; A472-K476 WeakPolarHBondContact O-CG 3.12Å; A472-K476 PolarHBondContact O-N 3.19Å; A472-K476 VanDerWaalsContact O-N 3.07Å; L473-K476 HydrophobicContact CD2-CD 4.42Å; L473-K476 WeakPolarHBondContact O-CB 3.34Å; L473-K476 PolarHBondContact O-N 3.3Å; L473-K476 VanDerWaalsContact O-N 3.13Å; Y474-K476 VanDerWaalsContact C-N 3.31Å; Y474-K476 PolarHBondContact O-N 2.98Å; K476-Q479 WeakPolarHBondContact O-CB 3.13Å; K476-Q479 PolarHBondContact O-N 3.35Å; K476-Q480 PolarHBondContact O-N 2.82Å |
| 477 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L435 F454 I457 M458 L473 Y474 Q479 Q480 L481 | L435-A477 HydrophobicContact CD1-CB 4.1Å; L435-A477 HydrophobicContact CD2-CB 4.19Å; F454-A477 HydrophobicContact CD2-CB 4.22Å; F454-A477 HydrophobicContact CE2-CB 3.74Å; F454-A477 HydrophobicContact CZ-CB 4.49Å; I457-A477 HydrophobicContact CG2-CB 3.93Å; M458-A477 HydrophobicContact SD-CB 3.75Å; L473-A477 PolarHBondContact O-N 2.87Å; Y474-A477 WeakPolarHBondContact O-CB 3.33Å; Y474-A477 PolarHBondContact O-N 3.39Å; Y474-A477 VanDerWaalsContact O-N 3.16Å; A477-Q479 VanDerWaalsContact C-N 3.35Å; A477-Q479 PolarHBondContact O-N 3.38Å; A477-Q480 PolarHBondContact O-N 2.87Å; A477-L481 PolarHBondContact O-N 3.01Å |
| 478 | E | 98.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -42 | 172 | -78.2 | -69.5 | 165.6 | 0 | 0 | 112.3 | G324 Y325 T326 L335 L435 Y474 Q480 L481 D482 | G324-E478 WeakPolarHBondContact CA-OE2 3.43Å; Y325-E478 PolarHBondContact N-OE1 3.46Å; Y325-E478 PolarHBondContact N-OE2 2.86Å; T326-E478 WeakPolarHBondContact CA-OE1 3.22Å; T326-E478 WeakPolarHBondContact CB-OE1 3.27Å; T326-E478 PolarHBondContact N-OE1 2.58Å; T326-E478 PolarHBondContact OG1-OE1 3.23Å; L335-E478 HydrophobicContact CD1-CG 4.15Å; L335-E478 HydrophobicContact CD2-CB 4.35Å; L335-E478 HydrophobicContact CD2-CG 3.78Å; L435-E478 HydrophobicContact CD2-CG 4.09Å; Y474-E478 PolarHBondContact O-N 2.81Å; E478-Q480 VanDerWaalsContact C-N 3.3Å; E478-Q480 PolarHBondContact O-N 3.02Å; E478-L481 PolarHBondContact O-N 3.41Å; E478-D482 WeakPolarHBondContact O-CB 3.35Å; E478-D482 PolarHBondContact O-N 3.39Å |
| 479 | Q | 97.8 | Very high | 97.6 | Very high | 99 Ų | 99 | 33.9 Ų | 33.9 | 46% | 0.463 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62 | -37.5 | 175.4 | -75.2 | 169.6 | -7.6 | 0 | 0 | 112.2 | T475 K476 A477 K483 | T475-Q479 WeakPolarHBondContact O-CB 3.28Å; T475-Q479 WeakPolarHBondContact O-CG 3.48Å; T475-Q479 PolarHBondContact O-N 3.44Å; K476-Q479 WeakPolarHBondContact O-CB 3.13Å; K476-Q479 PolarHBondContact O-N 3.35Å; A477-Q479 VanDerWaalsContact C-N 3.35Å; A477-Q479 PolarHBondContact O-N 3.38Å; Q479-K483 VanDerWaalsContact O-CB 3.24Å; Q479-K483 WeakPolarHBondContact O-CB 3.1Å; Q479-K483 PolarHBondContact O-N 2.93Å |
| 480 | Q | 98.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 175.5 | -175.4 | 57.1 | 53.2 | 0 | 0 | 111.4 | A453 F454 I457 K476 A477 E478 D482 K483 D484 | A453-Q480 HydrophobicContact CB-CG 4.31Å; F454-Q480 HydrophobicContact CB-CG 4.16Å; I457-Q480 HydrophobicContact CD1-CB 4.07Å; I457-Q480 HydrophobicContact CD1-CG 4.42Å; K476-Q480 PolarHBondContact O-N 2.82Å; A477-Q480 PolarHBondContact O-N 2.87Å; E478-Q480 VanDerWaalsContact C-N 3.3Å; E478-Q480 PolarHBondContact O-N 3.02Å; Q480-D482 PolarHBondContact O-N 2.98Å; Q480-K483 PolarHBondContact O-N 2.75Å; Q480-D484 PolarHBondContact NE2-OD1 2.95Å; Q480-D484 VanDerWaalsContact NE2-OD1 3.16Å; Q480-D484 PolarHBondContact NE2-OD2 2.85Å; Q480-D484 PolarHBondContact O-N 2.93Å |
| 481 | L | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 173.9 | -72.3 | 174.8 | 0 | 0 | 0 | 112.5 | L435 M438 Y449 F454 A477 E478 D484 S485 A486 | L435-L481 HydrophobicContact CD2-CD1 3.99Å; M438-L481 HydrophobicContact CB-CD1 4.32Å; M438-L481 HydrophobicContact CB-CD2 3.93Å; M438-L481 HydrophobicContact CG-CD1 4.03Å; M438-L481 HydrophobicContact CG-CD2 4.01Å; M438-L481 HydrophobicContact SD-CD2 4.42Å; Y449-L481 HydrophobicContact CD1-CD2 3.81Å; Y449-L481 HydrophobicContact CE1-CD2 3.35Å; F454-L481 HydrophobicContact CD2-CD1 4.33Å; F454-L481 HydrophobicContact CD2-CD2 3.9Å; F454-L481 HydrophobicContact CD2-CG 3.71Å; F454-L481 HydrophobicContact CE2-CD1 3.54Å; F454-L481 HydrophobicContact CE2-CD2 3.85Å; F454-L481 HydrophobicContact CE2-CG 3.44Å; F454-L481 VanDerWaalsContact CE2-CG 3.44Å; F454-L481 HydrophobicContact CG-CD2 4.48Å; F454-L481 HydrophobicContact CZ-CD1 4.05Å; F454-L481 HydrophobicContact CZ-CD2 4.4Å; F454-L481 HydrophobicContact CZ-CG 4.29Å; A477-L481 PolarHBondContact O-N 3.01Å; E478-L481 PolarHBondContact O-N 3.41Å; L481-D484 PolarHBondContact O-N 2.85Å; L481-S485 PolarHBondContact O-N 3.2Å; L481-A486 HydrophobicContact CD2-CB 3.93Å; L481-A486 PolarHBondContact O-N 3.38Å; L481-A486 VanDerWaalsContact O-N 3.11Å |
| 482 | D | 98.4 | Very high | 98.1 | Very high | 33 Ų | 33 | 27.3 Ų | 27.3 | 18% | 0.176 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.7 | -43.8 | 177.3 | -177.2 | 59.2 | 0 | 0 | 0 | 111.6 | K302 P338 W340 E478 Q480 D484 S485 | K302-D482 PolarHBondContact NZ-O 3.31Å; K302-D482 IonicContact NZ-OD1 3.79Å; K302-D482 PolarHBondContact NZ-OD1 2.92Å; K302-D482 IonicContact NZ-OD2 3.78Å; P338-D482 WeakPolarHBondContact CB-OD2 3.23Å; W340-D482 VanDerWaalsContact NE1-CG 3.33Å; W340-D482 PolarHBondContact NE1-OD1 3.34Å; W340-D482 PolarHBondContact NE1-OD2 3.09Å; E478-D482 WeakPolarHBondContact O-CB 3.35Å; E478-D482 PolarHBondContact O-N 3.39Å; Q480-D482 PolarHBondContact O-N 2.98Å; D482-D484 VanDerWaalsContact C-N 3.28Å; D482-D484 PolarHBondContact O-N 3.45Å; D482-S485 WeakPolarHBondContact O-CA 3.38Å; D482-S485 PolarHBondContact O-N 2.75Å; D482-S485 PolarHBondContact O-OG 2.94Å |
| 483 | K | 98 | Very high | 98.2 | Very high | 146 Ų | 146 | 25.7 Ų | 25.7 | 64% | 0.635 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -57.4 | -42.9 | 176 | 178.4 | -178.7 | 175.5 | -177.4 | 0 | 111.6 | Q479 Q480 S485 | Q479-K483 VanDerWaalsContact O-CB 3.24Å; Q479-K483 WeakPolarHBondContact O-CB 3.1Å; Q479-K483 PolarHBondContact O-N 2.93Å; Q480-K483 PolarHBondContact O-N 2.75Å; K483-S485 PolarHBondContact O-N 3.46Å |
| 484 | D | 98.5 | Very high | 98.3 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 17% | 0.166 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -5.8 | 178.1 | -64.6 | -22.3 | 0 | 0 | 0 | 112.8 | R298 Y449 Q480 L481 D482 A486 | R298-D484 VanDerWaalsContact CZ-O 3.28Å; R298-D484 PolarHBondContact NE-O 3.23Å; R298-D484 PolarHBondContact NH2-O 2.87Å; Y449-D484 HydrophobicContact CE2-CB 3.77Å; Y449-D484 PolarHBondContact OH-OD2 2.86Å; Q480-D484 PolarHBondContact NE2-OD1 2.95Å; Q480-D484 VanDerWaalsContact NE2-OD1 3.16Å; Q480-D484 PolarHBondContact NE2-OD2 2.85Å; Q480-D484 PolarHBondContact O-N 2.93Å; L481-D484 PolarHBondContact O-N 2.85Å; D482-D484 VanDerWaalsContact C-N 3.28Å; D482-D484 PolarHBondContact O-N 3.45Å; D484-A486 PolarHBondContact O-N 3.38Å |
| 485 | S | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44 | 50.7 | -172.6 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | R298 T299 K302 L481 D482 K483 I487 | R298-S485 WeakPolarHBondContact CB-O 3.44Å; R298-S485 WeakPolarHBondContact CD-O 3.39Å; R298-S485 PolarHBondContact NE-O 3.43Å; T299-S485 WeakPolarHBondContact CA-OG 3.23Å; T299-S485 PolarHBondContact OG1-OG 3.12Å; K302-S485 WeakPolarHBondContact CE-OG 3.23Å; K302-S485 PolarHBondContact NZ-OG 2.67Å; L481-S485 PolarHBondContact O-N 3.2Å; D482-S485 WeakPolarHBondContact O-CA 3.38Å; D482-S485 PolarHBondContact O-N 2.75Å; D482-S485 PolarHBondContact O-OG 2.94Å; K483-S485 PolarHBondContact O-N 3.46Å; S485-I487 PolarHBondContact O-N 2.78Å |
| 486 | A | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | trans | -60.3 | -34.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N287 Y449 L481 D484 | N287-A486 PolarHBondContact OD1-O 3.09Å; N287-A486 VanDerWaalsContact OD1-O 3.11Å; Y449-A486 HydrophobicContact CD1-CB 4.48Å; Y449-A486 HydrophobicContact CD2-CB 3.75Å; Y449-A486 HydrophobicContact CE2-CB 4.01Å; Y449-A486 HydrophobicContact CG-CB 3.98Å; L481-A486 HydrophobicContact CD2-CB 3.93Å; L481-A486 PolarHBondContact O-N 3.38Å; L481-A486 VanDerWaalsContact O-N 3.11Å; D484-A486 PolarHBondContact O-N 3.38Å | ||
| 487 | I | 98.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 174 | 178.1 | 60.2 | 169.2 | 0 | 0 | 0 | 110.5 | Y282 Y325 M438 S485 P489 | Y282-I487 HydrophobicContact CD2-CB 3.81Å; Y282-I487 HydrophobicContact CD2-CD1 3.96Å; Y282-I487 HydrophobicContact CD2-CG1 4.49Å; Y282-I487 HydrophobicContact CD2-CG2 3.71Å; Y282-I487 HydrophobicContact CE2-CB 4.45Å; Y282-I487 HydrophobicContact CE2-CG2 3.85Å; Y282-I487 HydrophobicContact CG-CB 4.49Å; Y282-I487 HydrophobicContact CG-CD1 3.95Å; Y325-I487 HydrophobicContact CD2-CD1 3.51Å; Y325-I487 HydrophobicContact CE2-CD1 4.34Å; Y325-I487 HydrophobicContact CG-CD1 3.85Å; M438-I487 HydrophobicContact CE-CG2 3.73Å; S485-I487 PolarHBondContact O-N 2.78Å; I487-P489 HydrophobicContact CD1-CG 4.17Å; I487-P489 HydrophobicContact CG1-CG 4.13Å; I487-P489 WeakPolarHBondContact O-CD 3.35Å |
| 488 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 94.3 | 166 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | Y282 Y283 I285 L301 K302 M305 V490 | Y282-V488 CarbonylContact C-O 3.54Å; Y282-V488 VanDerWaalsContact CA-O 3.23Å; Y282-V488 WeakPolarHBondContact CA-O 3.41Å; Y282-V488 VanDerWaalsContact CB-O 3.31Å; Y282-V488 WeakPolarHBondContact CB-O 3.4Å; Y283-V488 PolarHBondContact N-O 2.93Å; Y283-V488 PolarHBondContact O-N 3.03Å; I285-V488 HydrophobicContact CD1-CG2 3.84Å; I285-V488 HydrophobicContact CG1-CG2 4.44Å; L301-V488 HydrophobicContact CB-CG2 4.16Å; K302-V488 HydrophobicContact CB-CG2 4.2Å; M305-V488 HydrophobicContact CB-CG1 3.98Å; M305-V488 HydrophobicContact CG-CG1 4.26Å; V488-V490 PolarHBondContact O-N 3.01Å |
| 489 | P | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.032 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 133.5 | 175.1 | -20 | 32.2 | 0 | 0 | 0 | 110 | R307 A322 G324 I487 | R307-P489 PolarHBondContact NE-O 3.27Å; R307-P489 PolarHBondContact NH2-O 2.77Å; A322-P489 HydrophobicContact CB-CB 3.78Å; G324-P489 WeakPolarHBondContact O-CB 3.26Å; I487-P489 HydrophobicContact CD1-CG 4.17Å; I487-P489 HydrophobicContact CG1-CG 4.13Å; I487-P489 WeakPolarHBondContact O-CD 3.35Å |
| 490 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -58.4 | 179.7 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | Y281 Y283 I310 A322 V488 | Y281-V490 HydrophobicContact CD1-CB 3.87Å; Y281-V490 HydrophobicContact CD1-CG1 4.45Å; Y281-V490 HydrophobicContact CD1-CG2 3.94Å; Y281-V490 HydrophobicContact CE1-CG2 4.32Å; Y281-V490 PolarHBondContact O-N 3.23Å; Y283-V490 HydrophobicContact CD2-CG2 3.79Å; Y283-V490 HydrophobicContact CE2-CG2 3.98Å; I310-V490 HydrophobicContact CB-CG1 4.35Å; I310-V490 HydrophobicContact CD1-CG1 4.36Å; I310-V490 HydrophobicContact CG2-CG1 3.74Å; A322-V490 PolarHBondContact N-O 3.36Å; V488-V490 PolarHBondContact O-N 3.01Å |
| 491 | Y | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152.4 | 178.5 | 63.7 | -102.9 | 0 | 0 | 0 | 113.6 | Y281 V311 K315 D319 M320 L382 Y493 | Y281-Y491 VanDerWaalsContact CB-CE2 3.48Å; Y281-Y491 HydrophobicContact CD1-CD1 4.43Å; Y281-Y491 AromaticContact CD1-CE1 3.97Å; Y281-Y491 HydrophobicContact CD1-CE1 3.97Å; Y281-Y491 AromaticContact CD2-CE1 3.72Å; Y281-Y491 HydrophobicContact CD2-CE1 3.72Å; Y281-Y491 HydrophobicContact CD2-CE2 4.24Å; Y281-Y491 AromaticContact CD2-CZ 3.4Å; Y281-Y491 VanDerWaalsContact CD2-CZ 3.4Å; Y281-Y491 WeakPolarHBondContact CD2-OH 3.47Å; Y281-Y491 HydrophobicContact CE2-CE1 4.33Å; Y281-Y491 HydrophobicContact CG-CD1 4.13Å; Y281-Y491 AromaticContact CG-CE1 3.49Å; Y281-Y491 HydrophobicContact CG-CE1 3.49Å; Y281-Y491 VanDerWaalsContact CG-CE1 3.49Å; Y281-Y491 HydrophobicContact CG-CE2 4.15Å; Y281-Y491 AromaticContact CG-CZ 3.5Å; Y281-Y491 VanDerWaalsContact CG-CZ 3.5Å; Y281-Y491 PolarHBondContact N-O 3.06Å; Y281-Y491 PolarHBondContact O-N 2.67Å; V311-Y491 HydrophobicContact CG2-CD1 4.15Å; V311-Y491 HydrophobicContact CG2-CG 4.26Å; K315-Y491 HydrophobicContact CD-CD1 4.48Å; K315-Y491 HydrophobicContact CD-CE1 3.83Å; K315-Y491 HydrophobicContact CD-CE2 4.36Å; K315-Y491 VanDerWaalsContact CE-OH 3.26Å; K315-Y491 WeakPolarHBondContact CE-OH 3.43Å; D319-Y491 HydrophobicContact CB-CD2 3.62Å; D319-Y491 HydrophobicContact CB-CE2 4.27Å; D319-Y491 HydrophobicContact CB-CG 3.93Å; D319-Y491 WeakPolarHBondContact OD1-CE2 3.3Å; M320-Y491 CarbonylContact O-C 3.56Å; M320-Y491 WeakPolarHBondContact O-CA 3.28Å; M320-Y491 WeakPolarHBondContact O-CB 3.32Å; L382-Y491 HydrophobicContact CD1-CE1 4.18Å; Y491-Y493 HydrophobicContact CD2-CD2 4.22Å; Y491-Y493 HydrophobicContact CD2-CG 4.32Å; Y491-Y493 AromaticContact CE2-CD1 3.79Å; Y491-Y493 HydrophobicContact CE2-CD1 3.79Å; Y491-Y493 AromaticContact CE2-CD2 3.75Å; Y491-Y493 HydrophobicContact CE2-CD2 3.75Å; Y491-Y493 AromaticContact CE2-CE1 3.89Å; Y491-Y493 HydrophobicContact CE2-CE1 3.89Å; Y491-Y493 AromaticContact CE2-CE2 3.89Å; Y491-Y493 HydrophobicContact CE2-CE2 3.89Å; Y491-Y493 AromaticContact CE2-CG 3.74Å; Y491-Y493 HydrophobicContact CE2-CG 3.74Å; Y491-Y493 AromaticContact CE2-CZ 3.96Å |
| 492 | Y | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.4 | 164.5 | -50.4 | -59.7 | 0 | 0 | 0 | 108.3 | C279 T280 D319 M320 A322 Y323 G324 P327 P328 Y329 | C279-Y492 WeakPolarHBondContact O-CA 3.23Å; T280-Y492 HydrophobicContact CG2-CD1 4.2Å; T280-Y492 HydrophobicContact CG2-CE1 4.27Å; T280-Y492 WeakPolarHBondContact OG1-CD1 3.47Å; D319-Y492 WeakPolarHBondContact CA-O 3.49Å; D319-Y492 WeakPolarHBondContact CB-O 3.36Å; M320-Y492 HydrophobicContact CB-CD2 4.21Å; M320-Y492 PolarHBondContact N-O 2.92Å; M320-Y492 VanDerWaalsContact N-O 3.12Å; M320-Y492 PolarHBondContact O-N 2.77Å; A322-Y492 HydrophobicContact CB-CD1 3.88Å; A322-Y492 HydrophobicContact CB-CD2 4.17Å; A322-Y492 HydrophobicContact CB-CE1 3.61Å; A322-Y492 HydrophobicContact CB-CE2 3.94Å; A322-Y492 HydrophobicContact CB-CG 4.15Å; Y323-Y492 HydrophobicContact CD1-CE2 4.24Å; Y323-Y492 HydrophobicContact CE1-CE2 4.11Å; Y323-Y492 PolarHBondContact N-OH 3.18Å; G324-Y492 PolarHBondContact N-OH 3.16Å; G324-Y492 VanDerWaalsContact N-OH 3.1Å; P327-Y492 HydrophobicContact CB-CD1 4.02Å; P327-Y492 HydrophobicContact CB-CG 4.45Å; P327-Y492 HydrophobicContact CG-CD1 4.08Å; P328-Y492 VanDerWaalsContact CD-CZ 3.4Å; P328-Y492 HydrophobicContact CG-CD2 4.23Å; P328-Y492 HydrophobicContact CG-CE2 3.8Å; Y329-Y492 HydrophobicContact CE1-CG 4.26Å; Y329-Y492 WeakPolarHBondContact OH-CB 3.46Å |
| 493 | Y | 98.5 | Very high | 97 | Very high | 17 Ų | 17 | 18 Ų | 18 | 7% | 0.067 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 149.2 | -171.6 | -84.6 | -101.7 | 0 | 0 | 0 | 112.7 | Y277 C279 Y281 Y329 R421 Y491 | Y277-Y493 HydrophobicContact CD1-CG 4.47Å; C279-Y493 HydrophobicContact CB-CD2 3.6Å; C279-Y493 HydrophobicContact CB-CE2 4.23Å; C279-Y493 HydrophobicContact CB-CG 3.98Å; C279-Y493 PolarHBondContact O-N 3.22Å; Y281-Y493 VanDerWaalsContact CB-CE2 3.46Å; Y281-Y493 HydrophobicContact CD2-CE2 4.14Å; Y281-Y493 AromaticContact CD2-CZ 3.79Å; Y281-Y493 VanDerWaalsContact CD2-OH 3.25Å; Y281-Y493 WeakPolarHBondContact CD2-OH 3.49Å; Y281-Y493 HydrophobicContact CG-CE2 4.3Å; Y281-Y493 VanDerWaalsContact N-CE2 3.32Å; Y329-Y493 PolarHBondContact OH-O 3.1Å; R421-Y493 PolarHBondContact NH2-OH 3.43Å; Y491-Y493 HydrophobicContact CD2-CD2 4.22Å; Y491-Y493 HydrophobicContact CD2-CG 4.32Å; Y491-Y493 AromaticContact CE2-CD1 3.79Å; Y491-Y493 HydrophobicContact CE2-CD1 3.79Å; Y491-Y493 AromaticContact CE2-CD2 3.75Å; Y491-Y493 HydrophobicContact CE2-CD2 3.75Å; Y491-Y493 AromaticContact CE2-CE1 3.89Å; Y491-Y493 HydrophobicContact CE2-CE1 3.89Å; Y491-Y493 AromaticContact CE2-CE2 3.89Å; Y491-Y493 HydrophobicContact CE2-CE2 3.89Å; Y491-Y493 AromaticContact CE2-CG 3.74Å; Y491-Y493 HydrophobicContact CE2-CG 3.74Å; Y491-Y493 AromaticContact CE2-CZ 3.96Å |
| 494 | V | 97.9 | Very high | 96.6 | Very high | 22 Ų | 22 | 11.4 Ų | 11.4 | 13% | 0.133 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 147.6 | 145.6 | -67.5 | 0 | 0 | 0 | 0 | 109.6 | V274 D275 G318 D319 A496 | V274-V494 HydrophobicContact CG1-CB 3.76Å; V274-V494 HydrophobicContact CG1-CG1 4.2Å; V274-V494 HydrophobicContact CG1-CG2 3.71Å; D275-V494 CarbonylContact O-C 3.18Å; D275-V494 WeakPolarHBondContact O-CA 3.48Å; G318-V494 VanDerWaalsContact O-CG1 3.27Å; G318-V494 WeakPolarHBondContact O-CG1 3.19Å; D319-V494 PolarHBondContact OD1-N 3.17Å; V494-A496 HydrophobicContact CG2-CB 4.46Å; V494-A496 PolarHBondContact O-N 2.99Å |
| 495 | N | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 91.4 | 171.5 | -178.7 | 5.7 | 0 | 0 | 0 | 108.2 | N254 V274 D275 Y277 R497 Y506 D513 | N254-N495 WeakPolarHBondContact CB-OD1 3.45Å; V274-N495 WeakPolarHBondContact CA-O 3.24Å; D275-N495 PolarHBondContact N-O 2.77Å; D275-N495 VanDerWaalsContact N-O 3.07Å; D275-N495 PolarHBondContact O-N 3.33Å; Y277-N495 HydrophobicContact CD1-CB 3.97Å; Y277-N495 HydrophobicContact CD2-CB 4.35Å; Y277-N495 HydrophobicContact CG-CB 3.8Å; N495-R497 VanDerWaalsContact CG-NH2 3.3Å; N495-R497 PolarHBondContact ND2-NH2 3.33Å; N495-R497 VanDerWaalsContact OD1-CZ 3.3Å; N495-R497 PolarHBondContact OD1-NE 3.5Å; N495-R497 PolarHBondContact OD1-NH2 3.03Å; N495-Y506 PolarHBondContact ND2-OH 3.39Å; N495-D513 WeakPolarHBondContact ND2-CB 3.08Å; N495-D513 PolarHBondContact ND2-OD1 3.19Å |
| 496 | A | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.008 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N254 M256 F261 H273 V274 V494 | N254-A496 CarbonylContact C-O 3.56Å; N254-A496 VanDerWaalsContact CA-O 3.23Å; N254-A496 WeakPolarHBondContact CA-O 3.5Å; M256-A496 HydrophobicContact CG-CB 3.76Å; M256-A496 WeakPolarHBondContact CG-O 3.34Å; F261-A496 HydrophobicContact CE2-CB 4.03Å; H273-A496 CarbonylContact O-C 3.56Å; H273-A496 VanDerWaalsContact O-CA 3.26Å; H273-A496 WeakPolarHBondContact O-CA 3.36Å; V274-A496 HydrophobicContact CG2-CB 4.31Å; V494-A496 HydrophobicContact CG2-CB 4.46Å; V494-A496 PolarHBondContact O-N 2.99Å |
| 497 | R | 98.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 2% | 0.023 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 167.1 | 178.4 | 68.2 | -179.7 | 63.7 | 168.9 | -10.2 | 112.5 | N254 H273 N495 V499 Y506 D513 | N254-R497 HydrophobicContact CB-CB 4.5Å; H273-R497 HydrophobicContact CB-CG 4.12Å; H273-R497 PolarHBondContact N-O 3.19Å; H273-R497 PolarHBondContact O-N 3.24Å; N495-R497 VanDerWaalsContact CG-NH2 3.3Å; N495-R497 PolarHBondContact ND2-NH2 3.33Å; N495-R497 VanDerWaalsContact OD1-CZ 3.3Å; N495-R497 PolarHBondContact OD1-NE 3.5Å; N495-R497 PolarHBondContact OD1-NH2 3.03Å; R497-V499 HydrophobicContact CG-CG2 3.91Å; R497-Y506 HydrophobicContact CG-CE1 4.42Å; R497-Y506 PolarHBondContact NE-OH 2.91Å; R497-Y506 PolarHBondContact NH1-OH 3.05Å; R497-D513 IonicContact CZ-OD1 3.83Å; R497-D513 IonicContact CZ-OD2 2.59Å; R497-D513 IonicContact NH1-OD1 3.91Å; R497-D513 PolarHBondContact NH1-OD1 3.04Å; R497-D513 IonicContact NH1-OD2 2.71Å; R497-D513 IonicContact NH2-OD1 2.88Å; R497-D513 PolarHBondContact NH2-OD1 2.89Å; R497-D513 IonicContact NH2-OD2 3.11Å; R497-D513 PolarHBondContact NH2-OD2 3.49Å |
| 498 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.2 | 166 | -47.9 | 179.3 | 0 | 0 | 0 | 110.6 | V241 Y244 M251 T252 M256 L264 I268 E271 V272 | V241-L498 HydrophobicContact CG1-CD1 4.25Å; V241-L498 HydrophobicContact CG2-CD1 4.08Å; Y244-L498 HydrophobicContact CD1-CB 4.03Å; Y244-L498 HydrophobicContact CD1-CD1 3.5Å; Y244-L498 VanDerWaalsContact CD1-CD1 3.5Å; Y244-L498 HydrophobicContact CD1-CG 4.42Å; Y244-L498 HydrophobicContact CD2-CB 3.95Å; Y244-L498 HydrophobicContact CE1-CB 3.72Å; Y244-L498 HydrophobicContact CE1-CD1 3.74Å; Y244-L498 HydrophobicContact CE1-CG 4.34Å; Y244-L498 HydrophobicContact CE2-CB 3.57Å; Y244-L498 HydrophobicContact CG-CB 4.15Å; Y244-L498 HydrophobicContact CG-CD1 4.01Å; Y244-L498 VanDerWaalsContact CZ-CB 3.46Å; M251-L498 WeakPolarHBondContact CA-O 3.31Å; T252-L498 HydrophobicContact CG2-CB 3.73Å; T252-L498 HydrophobicContact CG2-CD1 4Å; T252-L498 HydrophobicContact CG2-CG 3.96Å; T252-L498 PolarHBondContact N-O 2.98Å; T252-L498 PolarHBondContact OG1-N 3.12Å; M256-L498 HydrophobicContact CE-CD1 4.15Å; M256-L498 HydrophobicContact CE-CD2 3.63Å; M256-L498 HydrophobicContact CE-CG 3.67Å; M256-L498 HydrophobicContact SD-CG 4.2Å; L264-L498 HydrophobicContact CD1-CD1 4.18Å; L264-L498 HydrophobicContact CD1-CD2 4.39Å; L264-L498 HydrophobicContact CD2-CD1 4.19Å; I268-L498 HydrophobicContact CD1-CD1 4.2Å; I268-L498 HydrophobicContact CD1-CD2 4.23Å; E271-L498 VanDerWaalsContact O-CA 3.26Å; E271-L498 WeakPolarHBondContact O-CA 3.38Å; V272-L498 HydrophobicContact CB-CD2 4.28Å; V272-L498 HydrophobicContact CG1-CD2 4.5Å; V272-L498 HydrophobicContact CG2-CD2 3.63Å |
| 499 | V | 97 | Very high | 95.1 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -130.7 | 125.4 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | Y244 M251 E271 R497 V503 Y506 | Y244-V499 PolarHBondContact OH-O 3.19Å; M251-V499 HydrophobicContact CE-CG2 3.94Å; M251-V499 HydrophobicContact CG-CG1 4.18Å; M251-V499 HydrophobicContact CG-CG2 4.31Å; E271-V499 PolarHBondContact O-N 3.19Å; R497-V499 HydrophobicContact CG-CG2 3.91Å; V499-V503 HydrophobicContact CG1-CB 3.67Å; V499-V503 HydrophobicContact CG1-CG1 3.75Å; V499-V503 HydrophobicContact CG1-CG2 4.4Å; V499-Y506 HydrophobicContact CB-CD1 4.5Å; V499-Y506 HydrophobicContact CG2-CD1 3.74Å; V499-Y506 HydrophobicContact CG2-CE1 4.03Å; V499-Y506 HydrophobicContact CG2-CG 4.33Å |
| 500 | K | 93.8 | Very high | 95 | Very high | 18 Ų | 18 | 21.4 Ų | 21.4 | 8% | 0.078 | 11% | 0.114 | C | C | . | . | trans | -61.4 | 145.7 | -177.9 | -73.6 | -68 | -169.3 | 174.5 | 0 | 111.2 | Y244 I249 D250 W502 V503 | Y244-K500 HydrophobicContact CD2-CG 4.4Å; Y244-K500 HydrophobicContact CE1-CD 4.06Å; Y244-K500 HydrophobicContact CE2-CD 3.81Å; Y244-K500 HydrophobicContact CE2-CG 3.65Å; Y244-K500 WeakPolarHBondContact O-CE 3.43Å; Y244-K500 PolarHBondContact O-NZ 3.25Å; Y244-K500 VanDerWaalsContact OH-CA 3.28Å; Y244-K500 WeakPolarHBondContact OH-CA 3.27Å; Y244-K500 WeakPolarHBondContact OH-CD 3.47Å; Y244-K500 PolarHBondContact OH-N 3.23Å; Y244-K500 VanDerWaalsContact OH-N 3.1Å; I249-K500 WeakPolarHBondContact O-CE 3.48Å; D250-K500 HydrophobicContact CB-CG 4.45Å; D250-K500 WeakPolarHBondContact O-CG 3.4Å; D250-K500 PolarHBondContact O-N 2.56Å; K500-W502 HydrophobicContact CB-CD2 3.66Å; K500-W502 HydrophobicContact CB-CE3 4.11Å; K500-W502 HydrophobicContact CB-CG 4.17Å; K500-W502 HydrophobicContact CB-CH2 4.18Å; K500-W502 HydrophobicContact CB-CZ2 3.68Å; K500-W502 HydrophobicContact CB-CZ3 4.34Å; K500-W502 HydrophobicContact CD-CH2 3.37Å; K500-W502 HydrophobicContact CD-CZ2 3.45Å; K500-W502 VanDerWaalsContact CD-CZ2 3.45Å; K500-W502 HydrophobicContact CD-CZ3 3.92Å; K500-W502 HydrophobicContact CG-CD2 4.31Å; K500-W502 HydrophobicContact CG-CH2 3.85Å; K500-W502 HydrophobicContact CG-CZ2 3.36Å; K500-W502 HydrophobicContact CG-CZ3 4.44Å; K500-W502 PolarHBondContact O-N 2.93Å; K500-V503 HydrophobicContact CB-CG2 4.02Å; K500-V503 WeakPolarHBondContact O-CB 3.13Å; K500-V503 PolarHBondContact O-N 3.03Å | ||
| 501 | P | 90.1 | Very high | 94.9 | Very high | 63 Ų | 63 | 22.8 Ų | 22.8 | 41% | 0.409 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.4 | -178.6 | -24 | 34.3 | 0 | 0 | 0 | 113.7 | E271 V503 R523 | E271-P501 HydrophobicContact CG-CG 3.7Å; P501-V503 VanDerWaalsContact C-N 3.34Å; P501-R523 PolarHBondContact O-NH2 2.83Å |
| 502 | W | 88.8 | Confident | 94.8 | Very high | 37 Ų | 37 | 23.4 Ų | 23.4 | 14% | 0.14 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -15.5 | 177.6 | 51.5 | 85.3 | 0 | 0 | 0 | 113.9 | D250 K500 G504 H522 R523 E525 | D250-W502 PolarHBondContact OD1-NE1 3.03Å; K500-W502 HydrophobicContact CB-CD2 3.66Å; K500-W502 HydrophobicContact CB-CE3 4.11Å; K500-W502 HydrophobicContact CB-CG 4.17Å; K500-W502 HydrophobicContact CB-CH2 4.18Å; K500-W502 HydrophobicContact CB-CZ2 3.68Å; K500-W502 HydrophobicContact CB-CZ3 4.34Å; K500-W502 HydrophobicContact CD-CH2 3.37Å; K500-W502 HydrophobicContact CD-CZ2 3.45Å; K500-W502 VanDerWaalsContact CD-CZ2 3.45Å; K500-W502 HydrophobicContact CD-CZ3 3.92Å; K500-W502 HydrophobicContact CG-CD2 4.31Å; K500-W502 HydrophobicContact CG-CH2 3.85Å; K500-W502 HydrophobicContact CG-CZ2 3.36Å; K500-W502 HydrophobicContact CG-CZ3 4.44Å; K500-W502 PolarHBondContact O-N 2.93Å; W502-G504 PolarHBondContact O-N 3.29Å; W502-H522 AromaticContact CD1-CE1 3.56Å; W502-H522 AromaticContact CD1-ND1 3.7Å; W502-H522 AromaticContact CD1-NE2 3.86Å; W502-H522 AromaticContact NE1-CE1 3.64Å; W502-R523 HydrophobicContact CB-CB 4.46Å; W502-R523 WeakPolarHBondContact CB-O 3.37Å; W502-R523 PolarHBondContact O-N 3.06Å; W502-E525 HydrophobicContact CD2-CG 4.42Å |
| 503 | V | 93.2 | Very high | 94.8 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 7% | 0.067 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 108.4 | 177 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | L23 D250 M251 V499 K500 P501 I520 | L23-V503 HydrophobicContact CD1-CG1 4.44Å; L23-V503 HydrophobicContact CD1-CG2 4.02Å; D250-V503 HydrophobicContact CB-CG2 3.91Å; M251-V503 HydrophobicContact CG-CG1 4.23Å; M251-V503 HydrophobicContact CG-CG2 4.47Å; M251-V503 HydrophobicContact SD-CG1 3.95Å; V499-V503 HydrophobicContact CG1-CB 3.67Å; V499-V503 HydrophobicContact CG1-CG1 3.75Å; V499-V503 HydrophobicContact CG1-CG2 4.4Å; K500-V503 HydrophobicContact CB-CG2 4.02Å; K500-V503 WeakPolarHBondContact O-CB 3.13Å; K500-V503 PolarHBondContact O-N 3.03Å; P501-V503 VanDerWaalsContact C-N 3.34Å; V503-I520 HydrophobicContact CG1-CD1 4.44Å; V503-I520 HydrophobicContact CG1-CG2 3.67Å |
| 504 | G | 90.5 | Very high | 94.7 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 153.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W502 I520 R521 | W502-G504 PolarHBondContact O-N 3.29Å; G504-I520 CarbonylContact O-C 3.53Å; G504-I520 VanDerWaalsContact O-CA 3.31Å; G504-I520 WeakPolarHBondContact O-CA 3.33Å; G504-R521 PolarHBondContact N-O 2.86Å; G504-R521 PolarHBondContact O-N 3.18Å |
| 505 | G | 90.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 104.4 | -15.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L60 T507 N519 | L60-G505 WeakPolarHBondContact CD2-O 3.13Å; G505-T507 PolarHBondContact O-N 3.42Å; G505-N519 WeakPolarHBondContact CA-O 3.43Å |
| 506 | Y | 93.5 | Very high | 94.4 | Very high | 26 Ų | 26 | 23.3 Ų | 23.3 | 10% | 0.102 | 13% | 0.127 | C | C | . | . | trans | -81.3 | 114.4 | 169.4 | -179.2 | -106.4 | 0 | 0 | 0 | 110.2 | M251 H273 D275 N495 R497 V499 T515 | M251-Y506 HydrophobicContact CE-CD2 4.07Å; M251-Y506 HydrophobicContact CE-CG 4.12Å; H273-Y506 HydrophobicContact CB-CE1 3.89Å; H273-Y506 AromaticContact CG-CE1 3.7Å; H273-Y506 AromaticContact ND1-CD1 3.95Å; H273-Y506 AromaticContact ND1-CE1 3.69Å; D275-Y506 PolarHBondContact OD2-OH 2.92Å; N495-Y506 PolarHBondContact ND2-OH 3.39Å; R497-Y506 HydrophobicContact CG-CE1 4.42Å; R497-Y506 PolarHBondContact NE-OH 2.91Å; R497-Y506 PolarHBondContact NH1-OH 3.05Å; V499-Y506 HydrophobicContact CB-CD1 4.5Å; V499-Y506 HydrophobicContact CG2-CD1 3.74Å; V499-Y506 HydrophobicContact CG2-CE1 4.03Å; V499-Y506 HydrophobicContact CG2-CG 4.33Å; Y506-T515 HydrophobicContact CD2-CG2 4.44Å | ||
| 507 | T | 91.8 | Very high | 94.4 | Very high | 56 Ų | 56 | 23.3 Ų | 23.3 | 34% | 0.344 | 13% | 0.126 | S | C | . | . | trans | -94.4 | -28 | -176.7 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | L60 G505 K509 | L60-T507 HydrophobicContact CB-CG2 4.06Å; L60-T507 HydrophobicContact CD1-CG2 4.39Å; L60-T507 HydrophobicContact CD2-CG2 4.39Å; L60-T507 PolarHBondContact O-OG1 3.09Å; G505-T507 PolarHBondContact O-N 3.42Å; T507-K509 PolarHBondContact O-N 3.22Å; T507-K509 PolarHBondContact OG1-N 3.29Å | ||
| 508 | G | 92.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 71.5 | 1.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D275 | D275-G508 WeakPolarHBondContact CB-O 3.46Å; D275-G508 VanDerWaalsContact CG-CA 3.45Å; D275-G508 VanDerWaalsContact CG-O 3.29Å; D275-G508 VanDerWaalsContact OD2-CA 3.25Å; D275-G508 WeakPolarHBondContact OD2-CA 3.45Å |
| 509 | K | 94.4 | Very high | 94 | Very high | 145 Ų | 145 | 23.8 Ų | 23.8 | 63% | 0.63 | 13% | 0.129 | S | C | * | . | trans | -88.4 | -22.9 | -171.6 | -71.6 | -178.2 | 174.3 | -176.1 | 0 | 114.7 | D61 T507 P511 | D61-K509 VanDerWaalsContact OD1-CB 3.32Å; D61-K509 WeakPolarHBondContact OD1-CB 3.25Å; D61-K509 WeakPolarHBondContact OD1-CD 3.41Å; T507-K509 PolarHBondContact O-N 3.22Å; T507-K509 PolarHBondContact OG1-N 3.29Å; K509-P511 VanDerWaalsContact O-CD 3.24Å; K509-P511 WeakPolarHBondContact O-CD 3.38Å | ||
| 510 | D | 95.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | trans | -68.9 | 111.8 | 175 | 178.3 | 1.5 | 0 | 0 | 0 | 110.1 | G62 L512 D513 N514 | G62-D510 WeakPolarHBondContact CA-OD1 3.44Å; D510-L512 PolarHBondContact O-N 3.38Å; D510-L512 WeakPolarHBondContact OD1-CA 3.28Å; D510-L512 WeakPolarHBondContact OD1-CB 3.39Å; D510-L512 PolarHBondContact OD1-N 2.89Å; D510-D513 PolarHBondContact O-N 3.16Å; D510-D513 PolarHBondContact OD1-N 3.34Å; D510-N514 WeakPolarHBondContact OD2-CA 3.32Å; D510-N514 WeakPolarHBondContact OD2-CB 3.47Å; D510-N514 PolarHBondContact OD2-N 3.29Å | ||
| 511 | P | 96.2 | Very high | 93.7 | Very high | 29 Ų | 29 | 24.4 Ų | 24.4 | 19% | 0.188 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11.3 | -178.4 | 33.3 | -37.8 | 0 | 0 | 0 | 113.2 | Y277 L278 K509 | Y277-P511 WeakPolarHBondContact CD2-O 3.43Å; L278-P511 HydrophobicContact CD1-CB 3.8Å; L278-P511 HydrophobicContact CD1-CG 4.01Å; L278-P511 HydrophobicContact CG-CB 3.95Å; L278-P511 PolarHBondContact N-O 3.47Å; K509-P511 VanDerWaalsContact O-CD 3.24Å; K509-P511 WeakPolarHBondContact O-CD 3.38Å |
| 512 | L | 97.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 21.6 Ų | 21.6 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -12.5 | 172.5 | -50.5 | -177.9 | 0 | 0 | 0 | 112.1 | L278 A426 N429 D510 N514 | L278-L512 HydrophobicContact CB-CD2 4.21Å; L278-L512 HydrophobicContact CD1-CD2 3.78Å; A426-L512 HydrophobicContact CB-CD2 3.46Å; A426-L512 VanDerWaalsContact CB-CD2 3.46Å; N429-L512 HydrophobicContact CB-CD2 4.39Å; D510-L512 PolarHBondContact O-N 3.38Å; D510-L512 WeakPolarHBondContact OD1-CA 3.28Å; D510-L512 WeakPolarHBondContact OD1-CB 3.39Å; D510-L512 PolarHBondContact OD1-N 2.89Å; L512-N514 PolarHBondContact O-N 2.96Å |
| 513 | D | 97.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | trans | 52.5 | 39.1 | -175.9 | -176 | 62.2 | 0 | 0 | 0 | 113.7 | Y277 N495 R497 D510 T515 | Y277-D513 HydrophobicContact CD2-CB 4.12Å; Y277-D513 HydrophobicContact CE2-CB 3.57Å; N495-D513 WeakPolarHBondContact ND2-CB 3.08Å; N495-D513 PolarHBondContact ND2-OD1 3.19Å; R497-D513 IonicContact CZ-OD1 3.83Å; R497-D513 IonicContact CZ-OD2 2.59Å; R497-D513 IonicContact NH1-OD1 3.91Å; R497-D513 PolarHBondContact NH1-OD1 3.04Å; R497-D513 IonicContact NH1-OD2 2.71Å; R497-D513 IonicContact NH2-OD1 2.88Å; R497-D513 PolarHBondContact NH2-OD1 2.89Å; R497-D513 IonicContact NH2-OD2 3.11Å; R497-D513 PolarHBondContact NH2-OD2 3.49Å; D510-D513 PolarHBondContact O-N 3.16Å; D510-D513 PolarHBondContact OD1-N 3.34Å; D513-T515 PolarHBondContact O-N 3.36Å; D513-T515 PolarHBondContact OD1-OG1 2.94Å | ||
| 514 | N | 96.5 | Very high | 91.9 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | trans | -72.4 | 69.1 | 170.8 | -72.5 | -37.4 | 0 | 0 | 0 | 110.3 | R49 S58 D510 L512 Y516 | R49-N514 PolarHBondContact NH1-OD1 3.15Å; S58-N514 PolarHBondContact OG-ND2 2.83Å; D510-N514 WeakPolarHBondContact OD2-CA 3.32Å; D510-N514 WeakPolarHBondContact OD2-CB 3.47Å; D510-N514 PolarHBondContact OD2-N 3.29Å; L512-N514 PolarHBondContact O-N 2.96Å; N514-Y516 HydrophobicContact CB-CE2 4.14Å; N514-Y516 WeakPolarHBondContact O-CD2 3.2Å; N514-Y516 WeakPolarHBondContact O-CE2 3.46Å; N514-Y516 PolarHBondContact O-N 2.72Å | ||
| 515 | T | 94.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 32 Ų | 32 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | trans | -77.6 | 115.3 | -179.7 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | Y506 D513 I520 | Y506-T515 HydrophobicContact CD2-CG2 4.44Å; D513-T515 PolarHBondContact O-N 3.36Å; D513-T515 PolarHBondContact OD1-OG1 2.94Å; T515-I520 HydrophobicContact CG2-CD1 4.48Å | ||
| 516 | Y | 96.4 | Very high | 88.5 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | trans | -96.5 | 132 | 173.3 | -59.2 | -100.1 | 0 | 0 | 0 | 111.3 | R49 V57 S58 N514 R518 N519 | R49-Y516 HydrophobicContact CB-CD1 3.92Å; R49-Y516 HydrophobicContact CB-CE1 3.75Å; R49-Y516 HydrophobicContact CG-CD1 4.5Å; R49-Y516 HydrophobicContact CG-CE1 3.89Å; V57-Y516 HydrophobicContact CB-CE1 4.28Å; V57-Y516 HydrophobicContact CG1-CE1 4.15Å; S58-Y516 PolarHBondContact N-OH 2.87Å; S58-Y516 WeakPolarHBondContact O-CE2 3.39Å; N514-Y516 HydrophobicContact CB-CE2 4.14Å; N514-Y516 WeakPolarHBondContact O-CD2 3.2Å; N514-Y516 WeakPolarHBondContact O-CE2 3.46Å; N514-Y516 PolarHBondContact O-N 2.72Å; Y516-R518 PolarHBondContact O-N 3.38Å; Y516-N519 WeakPolarHBondContact O-CB 3.39Å; Y516-N519 PolarHBondContact O-N 2.69Å | ||
| 517 | T | 96.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -67.2 | -24 | -179 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | L23 D50 Y199 I226 V229 Y231 N519 I520 | L23-T517 HydrophobicContact CD2-CG2 3.7Å; D50-T517 WeakPolarHBondContact OD1-CB 3.07Å; D50-T517 PolarHBondContact OD1-N 2.85Å; D50-T517 PolarHBondContact OD1-OG1 3.26Å; D50-T517 WeakPolarHBondContact OD2-CB 3.5Å; D50-T517 PolarHBondContact OD2-OG1 2.96Å; Y199-T517 HydrophobicContact CE2-CG2 4.18Å; Y199-T517 WeakPolarHBondContact OH-CG2 3.37Å; Y199-T517 PolarHBondContact OH-O 3.44Å; I226-T517 HydrophobicContact CB-CG2 4.09Å; I226-T517 HydrophobicContact CG1-CG2 4.3Å; I226-T517 HydrophobicContact CG2-CG2 3.9Å; V229-T517 HydrophobicContact CB-CG2 3.89Å; V229-T517 HydrophobicContact CG1-CG2 4.14Å; V229-T517 HydrophobicContact CG2-CG2 4.08Å; Y231-T517 PolarHBondContact OH-OG1 3.31Å; T517-N519 PolarHBondContact O-N 3.45Å; T517-N519 VanDerWaalsContact O-N 3.11Å; T517-I520 WeakPolarHBondContact O-CB 3.29Å; T517-I520 PolarHBondContact O-N 2.89Å |
| 518 | R | 94.8 | Very high | 84.6 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -61.5 | -16.3 | 173.1 | 73.7 | -175.6 | 168.3 | 74 | -3.6 | 114 | A9 A198 Y199 Y218 T224 Y516 | A9-R518 WeakPolarHBondContact CB-O 3.49Å; A198-R518 HydrophobicContact CB-CB 3.64Å; A198-R518 HydrophobicContact CB-CG 4.36Å; Y199-R518 HydrophobicContact CE2-CB 4.36Å; Y218-R518 VanDerWaalsContact OH-CD 3.31Å; Y218-R518 WeakPolarHBondContact OH-CD 3.4Å; Y218-R518 PolarHBondContact OH-NE 3.43Å; T224-R518 HydrophobicContact CG2-CB 4.44Å; Y516-R518 PolarHBondContact O-N 3.38Å |
| 519 | N | 92.9 | Very high | 82.7 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -93.3 | -9.7 | 177.4 | -61.6 | -10.8 | 0 | 0 | 0 | 112.6 | A8 L60 G505 Y516 T517 | A8-N519 VanDerWaalsContact CA-OD1 3.27Å; A8-N519 WeakPolarHBondContact CA-OD1 3.32Å; L60-N519 HydrophobicContact CD2-CB 3.81Å; G505-N519 WeakPolarHBondContact CA-O 3.43Å; Y516-N519 WeakPolarHBondContact O-CB 3.39Å; Y516-N519 PolarHBondContact O-N 2.69Å; T517-N519 PolarHBondContact O-N 3.45Å; T517-N519 VanDerWaalsContact O-N 3.11Å |
| 520 | I | 93.6 | Very high | 81 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | -91.8 | 152.8 | -176.3 | -57.7 | -60.9 | 0 | 0 | 0 | 110.9 | L23 I226 V503 G504 T515 T517 | L23-I520 HydrophobicContact CD1-CG2 4.26Å; L23-I520 HydrophobicContact CD2-CB 4.46Å; L23-I520 HydrophobicContact CD2-CG2 4.01Å; I226-I520 HydrophobicContact CG1-CB 4.3Å; I226-I520 HydrophobicContact CG1-CG2 4.23Å; I226-I520 WeakPolarHBondContact CG1-O 3.36Å; V503-I520 HydrophobicContact CG1-CD1 4.44Å; V503-I520 HydrophobicContact CG1-CG2 3.67Å; G504-I520 CarbonylContact O-C 3.53Å; G504-I520 VanDerWaalsContact O-CA 3.31Å; G504-I520 WeakPolarHBondContact O-CA 3.33Å; T515-I520 HydrophobicContact CG2-CD1 4.48Å; T517-I520 WeakPolarHBondContact O-CB 3.29Å; T517-I520 PolarHBondContact O-N 2.89Å | ||
| 521 | R | 90.5 | Very high | 79.3 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 147.2 | 174.9 | 61.6 | -173.4 | 177.6 | -92.9 | -1.8 | 111.3 | P12 L17 V225 G504 | P12-R521 VanDerWaalsContact CD-CZ 3.41Å; L17-R521 HydrophobicContact CD2-CB 3.98Å; L17-R521 HydrophobicContact CD2-CG 4.34Å; V225-R521 HydrophobicContact CB-CB 4.24Å; V225-R521 HydrophobicContact CG1-CB 4.03Å; G504-R521 PolarHBondContact N-O 2.86Å; G504-R521 PolarHBondContact O-N 3.18Å |
| 522 | H | 86.8 | Confident | 77.6 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.023 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.4 | 169.7 | -87 | -144.9 | 0 | 0 | 0 | 111.5 | L17 A18 Q21 T22 L23 D250 W502 | L17-H522 WeakPolarHBondContact CA-O 3.44Å; A18-H522 HydrophobicContact CB-CB 3.95Å; A18-H522 PolarHBondContact N-O 3.34Å; Q21-H522 PolarHBondContact NE2-O 2.95Å; T22-H522 PolarHBondContact O-CE1 2.83Å; T22-H522 PolarHBondContact O-ND1 2.75Å; T22-H522 PolarHBondContact O-NE2 3.06Å; L23-H522 WeakPolarHBondContact CD1-NE2 3.36Å; D250-H522 IonicContact OD1-CE1 3.49Å; D250-H522 IonicContact OD2-CE1 2.69Å; D250-H522 IonicContact OD2-NE2 3.29Å; W502-H522 AromaticContact CD1-CE1 3.56Å; W502-H522 AromaticContact CD1-ND1 3.7Å; W502-H522 AromaticContact CD1-NE2 3.86Å; W502-H522 AromaticContact NE1-CE1 3.64Å |
| 523 | R | 80.8 | Confident | 76.1 | Confident | 112 Ų | 112 | 56.8 Ų | 56.8 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 152.3 | 167.8 | -61.7 | -174.1 | -75.6 | -179.2 | -7.7 | 109.8 | V15 P501 W502 E525 | V15-R523 HydrophobicContact CG1-CG 3.9Å; P501-R523 PolarHBondContact O-NH2 2.83Å; W502-R523 HydrophobicContact CB-CB 4.46Å; W502-R523 WeakPolarHBondContact CB-O 3.37Å; W502-R523 PolarHBondContact O-N 3.06Å; R523-E525 PolarHBondContact O-N 2.75Å |
| 524 | P | 66.5 | Low | 74.8 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 135.1 | 179.7 | -24.1 | 31.1 | 0 | 0 | 0 | 112.2 | T16 G526 | T16-P524 HydrophobicContact CG2-CG 3.74Å; T16-P524 WeakPolarHBondContact O-CD 3.24Å; P524-G526 PolarHBondContact O-N 2.7Å |
| 525 | E | 61.2 | Low | 73.5 | Confident | 101 Ų | 101 | 66 Ų | 66 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | trans | -68.8 | -2 | 178.3 | -66.3 | 178.3 | -167.5 | 0 | 0 | 113.3 | W502 R523 R527 A528 | W502-E525 HydrophobicContact CD2-CG 4.42Å; R523-E525 PolarHBondContact O-N 2.75Å; E525-R527 PolarHBondContact O-N 2.9Å; E525-A528 PolarHBondContact O-N 3.12Å | ||
| 526 | G | 49.1 | Very low | 72.2 | Confident | 75 Ų | 75 | 69 Ų | 69 | 77% | 0.773 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 20.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 119 | P524 | P524-G526 PolarHBondContact O-N 2.7Š|
| 527 | R | 50.6 | Low | 71.2 | Confident | 217 Ų | 217 | 72.3 Ų | 72.3 | 82% | 0.819 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.4 | -10.8 | 163.3 | -77.3 | -175.1 | -179.2 | 176.8 | 0.8 | 113.5 | E525 K531 | E525-R527 PolarHBondContact O-N 2.9Å; R527-K531 WeakPolarHBondContact O-CB 3.24Å; R527-K531 PolarHBondContact O-N 2.87Å |
| 528 | A | 53 | Low | 70.5 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -79.9 | -44.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113 | E525 K531 F532 | E525-A528 PolarHBondContact O-N 3.12Å; A528-K531 CarbonylContact O-C 3.55Å; A528-K531 PolarHBondContact O-N 3.07Å; A528-F532 VanDerWaalsContact O-CB 3.23Å; A528-F532 WeakPolarHBondContact O-CB 3.39Å; A528-F532 PolarHBondContact O-N 3.08Å |
| 529 | M | 52.2 | Low | 69.6 | Low | 76 Ų | 76 | 80.4 Ų | 80.4 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.6 | -46.1 | -176.8 | -169.6 | 65.8 | 77.1 | 0 | 0 | 112.8 | K531 F532 I533 A826 | M529-K531 VanDerWaalsContact C-N 3.33Å; M529-K531 PolarHBondContact O-N 3.47Å; M529-F532 WeakPolarHBondContact O-CB 3.49Å; M529-F532 PolarHBondContact O-N 3.12Å; M529-F532 VanDerWaalsContact O-N 3.16Å; M529-F532 HydrophobicContact SD-CD1 4.33Å; M529-I533 HydrophobicContact CG-CD1 4.12Å; M529-I533 WeakPolarHBondContact O-CG1 3.49Å; M529-I533 PolarHBondContact O-N 3.32Å; M529-A826 HydrophobicContact CE-CB 3.61Å; M529-A826 WeakPolarHBondContact CE-O 3.29Å; M529-A826 HydrophobicContact SD-CB 3.65Å |
| 530 | L | 57.8 | Low | 69 | Low | 119 Ų | 119 | 81.1 Ų | 81.1 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 176.4 | -176 | 65.6 | 0 | 0 | 0 | 110.9 | F532 I533 L534 | L530-F532 VanDerWaalsContact C-N 3.31Å; L530-F532 PolarHBondContact O-N 2.88Å; L530-I533 PolarHBondContact O-N 2.94Å; L530-L534 HydrophobicContact CD1-CD1 4.37Å; L530-L534 HydrophobicContact CD1-CG 4.49Å; L530-L534 HydrophobicContact CG-CD1 3.97Å; L530-L534 VanDerWaalsContact O-CB 3.26Å; L530-L534 WeakPolarHBondContact O-CB 3.19Å; L530-L534 VanDerWaalsContact O-CG 3.23Å; L530-L534 WeakPolarHBondContact O-CG 3.34Å; L530-L534 PolarHBondContact O-N 3.48Å |
| 531 | K | 61.3 | Low | 68.6 | Low | 153 Ų | 153 | 86.1 Ų | 86.1 | 67% | 0.665 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.2 | -35.8 | 174.3 | -171.4 | 178.6 | 180 | -173.3 | 0 | 111.6 | R527 A528 M529 R535 | R527-K531 WeakPolarHBondContact O-CB 3.24Å; R527-K531 PolarHBondContact O-N 2.87Å; A528-K531 CarbonylContact O-C 3.55Å; A528-K531 PolarHBondContact O-N 3.07Å; M529-K531 VanDerWaalsContact C-N 3.33Å; M529-K531 PolarHBondContact O-N 3.47Å; K531-R535 WeakPolarHBondContact O-CB 3.46Å; K531-R535 PolarHBondContact O-N 3.33Å |
| 532 | F | 60.3 | Low | 68.4 | Low | 72 Ų | 72 | 87.7 Ų | 87.7 | 32% | 0.316 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.7 | -50.6 | 176 | 174.3 | -98.8 | 0 | 0 | 0 | 111.6 | A528 M529 L530 L534 R535 R536 D822 | A528-F532 VanDerWaalsContact O-CB 3.23Å; A528-F532 WeakPolarHBondContact O-CB 3.39Å; A528-F532 PolarHBondContact O-N 3.08Å; M529-F532 WeakPolarHBondContact O-CB 3.49Å; M529-F532 PolarHBondContact O-N 3.12Å; M529-F532 VanDerWaalsContact O-N 3.16Å; M529-F532 HydrophobicContact SD-CD1 4.33Å; L530-F532 VanDerWaalsContact C-N 3.31Å; L530-F532 PolarHBondContact O-N 2.88Å; F532-L534 PolarHBondContact O-N 3.44Å; F532-R535 PolarHBondContact O-N 3.08Å; F532-R536 HydrophobicContact CD1-CG 4.48Å; F532-R536 HydrophobicContact CD2-CG 4.44Å; F532-R536 HydrophobicContact CE1-CG 4.09Å; F532-R536 HydrophobicContact CE2-CG 4.05Å; F532-R536 HydrophobicContact CZ-CG 3.86Å; F532-R536 WeakPolarHBondContact O-CB 3.42Å; F532-R536 WeakPolarHBondContact O-CG 3.41Å; F532-R536 PolarHBondContact O-N 3.38Å; F532-D822 HydrophobicContact CE1-CB 4.42Å; F532-D822 HydrophobicContact CZ-CB 4.31Å |
| 533 | I | 65.6 | Low | 68.3 | Low | 61 Ų | 61 | 91 Ų | 91 | 31% | 0.313 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.8 | -65.5 | 171.4 | 0 | 0 | 0 | 110 | M529 L530 R535 R536 C537 V823 | M529-I533 HydrophobicContact CG-CD1 4.12Å; M529-I533 WeakPolarHBondContact O-CG1 3.49Å; M529-I533 PolarHBondContact O-N 3.32Å; L530-I533 PolarHBondContact O-N 2.94Å; I533-R535 PolarHBondContact O-N 3.47Å; I533-R536 PolarHBondContact O-N 3.44Å; I533-C537 PolarHBondContact O-N 3.45Å; I533-C537 PolarHBondContact O-SG 2.84Å; I533-C537 VanDerWaalsContact O-SG 3.35Å; I533-V823 HydrophobicContact CG1-CG2 4.2Å |
| 534 | L | 70.8 | Confident | 68.6 | Low | 96 Ų | 96 | 88 Ų | 88 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.3 | -76.2 | 169.5 | 0 | 0 | 0 | 111.8 | L530 F532 R536 C537 L538 | L530-L534 HydrophobicContact CD1-CD1 4.37Å; L530-L534 HydrophobicContact CD1-CG 4.49Å; L530-L534 HydrophobicContact CG-CD1 3.97Å; L530-L534 VanDerWaalsContact O-CB 3.26Å; L530-L534 WeakPolarHBondContact O-CB 3.19Å; L530-L534 VanDerWaalsContact O-CG 3.23Å; L530-L534 WeakPolarHBondContact O-CG 3.34Å; L530-L534 PolarHBondContact O-N 3.48Å; F532-L534 PolarHBondContact O-N 3.44Å; L534-R536 PolarHBondContact O-N 2.83Å; L534-C537 PolarHBondContact O-N 3.49Å; L534-L538 WeakPolarHBondContact O-CB 3.13Å; L534-L538 VanDerWaalsContact O-CG 3.24Å; L534-L538 WeakPolarHBondContact O-CG 3.48Å; L534-L538 PolarHBondContact O-N 2.85Å |
| 535 | R | 69 | Low | 69.7 | Low | 117 Ų | 117 | 90 Ų | 90 | 44% | 0.442 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 177 | -179.6 | 177.2 | 174.8 | 173.9 | 4.9 | 111.4 | E267 K531 F532 I533 L538 E539 | E267-R535 PolarHBondContact O-NH1 2.99Å; E267-R535 PolarHBondContact O-NH2 3.21Å; E267-R535 VanDerWaalsContact O-NH2 3.09Å; K531-R535 WeakPolarHBondContact O-CB 3.46Å; K531-R535 PolarHBondContact O-N 3.33Å; F532-R535 PolarHBondContact O-N 3.08Å; I533-R535 PolarHBondContact O-N 3.47Å; R535-L538 CarbonylContact O-C 3.45Å; R535-L538 PolarHBondContact O-N 3.42Å; R535-E539 HydrophobicContact CG-CG 4.37Å; R535-E539 WeakPolarHBondContact CG-OE1 3.31Å; R535-E539 IonicContact CZ-OE1 3.63Å; R535-E539 IonicContact NE-OE1 2.88Å; R535-E539 PolarHBondContact NE-OE1 3.37Å; R535-E539 IonicContact NH2-OE1 3.32Å; R535-E539 WeakPolarHBondContact O-CB 3.2Å; R535-E539 VanDerWaalsContact O-CG 3.31Å; R535-E539 WeakPolarHBondContact O-CG 3.23Å; R535-E539 PolarHBondContact O-N 2.9Å |
| 536 | R | 67.3 | Low | 71.1 | Confident | 80 Ų | 80 | 89.7 Ų | 89.7 | 30% | 0.302 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.8 | -75.3 | -76.3 | 150 | 144.6 | -7 | 112 | F532 I533 L534 L538 E539 A540 D822 | F532-R536 HydrophobicContact CD1-CG 4.48Å; F532-R536 HydrophobicContact CD2-CG 4.44Å; F532-R536 HydrophobicContact CE1-CG 4.09Å; F532-R536 HydrophobicContact CE2-CG 4.05Å; F532-R536 HydrophobicContact CZ-CG 3.86Å; F532-R536 WeakPolarHBondContact O-CB 3.42Å; F532-R536 WeakPolarHBondContact O-CG 3.41Å; F532-R536 PolarHBondContact O-N 3.38Å; I533-R536 PolarHBondContact O-N 3.44Å; L534-R536 PolarHBondContact O-N 2.83Å; R536-L538 VanDerWaalsContact C-N 3.31Å; R536-L538 PolarHBondContact O-N 3Å; R536-E539 IonicContact CZ-OE2 3.41Å; R536-E539 IonicContact NE-OE2 3.34Å; R536-E539 PolarHBondContact NE-OE2 3.05Å; R536-E539 PolarHBondContact O-N 3.28Å; R536-A540 PolarHBondContact O-N 3.23Å; R536-D822 IonicContact CZ-OD2 3.71Å; R536-D822 IonicContact NH1-OD2 3.39Å; R536-D822 PolarHBondContact NH1-OD2 2.89Å |
| 537 | C | 75.2 | Confident | 73 | Confident | 74 Ų | 74 | 88.6 Ų | 88.6 | 50% | 0.5 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 172.3 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | I533 L534 A540 | I533-C537 PolarHBondContact O-N 3.45Å; I533-C537 PolarHBondContact O-SG 2.84Å; I533-C537 VanDerWaalsContact O-SG 3.35Å; L534-C537 PolarHBondContact O-N 3.49Å; C537-A540 WeakPolarHBondContact O-CB 3.44Å |
| 538 | L | 80.9 | Confident | 74.9 | Confident | 112 Ų | 112 | 78.8 Ų | 78.8 | 59% | 0.586 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -72.8 | -33.9 | 176.2 | -72.7 | 169.8 | 0 | 0 | 0 | 112.7 | L534 R535 R536 A540 I541 P542 | L534-L538 WeakPolarHBondContact O-CB 3.13Å; L534-L538 VanDerWaalsContact O-CG 3.24Å; L534-L538 WeakPolarHBondContact O-CG 3.48Å; L534-L538 PolarHBondContact O-N 2.85Å; R535-L538 CarbonylContact O-C 3.45Å; R535-L538 PolarHBondContact O-N 3.42Å; R536-L538 VanDerWaalsContact C-N 3.31Å; R536-L538 PolarHBondContact O-N 3Å; L538-A540 VanDerWaalsContact C-N 3.33Å; L538-I541 HydrophobicContact CD2-CD1 4.23Å; L538-I541 PolarHBondContact O-N 2.96Å; L538-P542 WeakPolarHBondContact O-CD 3.48Å |
| 539 | E | 75.4 | Confident | 76.7 | Confident | 67 Ų | 67 | 78 Ų | 78 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.9 | -28.7 | 174.6 | -75.6 | 169.6 | -175.3 | 0 | 0 | 112.1 | R535 R536 P542 T543 | R535-E539 HydrophobicContact CG-CG 4.37Å; R535-E539 WeakPolarHBondContact CG-OE1 3.31Å; R535-E539 IonicContact CZ-OE1 3.63Å; R535-E539 IonicContact NE-OE1 2.88Å; R535-E539 PolarHBondContact NE-OE1 3.37Å; R535-E539 IonicContact NH2-OE1 3.32Å; R535-E539 WeakPolarHBondContact O-CB 3.2Å; R535-E539 VanDerWaalsContact O-CG 3.31Å; R535-E539 WeakPolarHBondContact O-CG 3.23Å; R535-E539 PolarHBondContact O-N 2.9Å; R536-E539 IonicContact CZ-OE2 3.41Å; R536-E539 IonicContact NE-OE2 3.34Å; R536-E539 PolarHBondContact NE-OE2 3.05Å; R536-E539 PolarHBondContact O-N 3.28Å; E539-P542 VanDerWaalsContact O-CD 3.3Å; E539-P542 WeakPolarHBondContact O-CD 3.31Å; E539-P542 WeakPolarHBondContact O-CG 3.19Å; E539-T543 PolarHBondContact O-OG1 2.83Å |
| 540 | A | 81.3 | Confident | 78.4 | Confident | 24 Ų | 24 | 78.7 Ų | 78.7 | 20% | 0.198 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R536 C537 L538 T543 L544 I815 | R536-A540 PolarHBondContact O-N 3.23Å; C537-A540 WeakPolarHBondContact O-CB 3.44Å; L538-A540 VanDerWaalsContact C-N 3.33Å; A540-T543 PolarHBondContact O-N 3.4Å; A540-L544 WeakPolarHBondContact O-CB 3.48Å; A540-L544 PolarHBondContact O-N 3.03Å; A540-I815 HydrophobicContact CB-CG2 3.37Å |
| 541 | I | 85.5 | Confident | 79.9 | Confident | 106 Ų | 106 | 74 Ų | 74 | 54% | 0.544 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.2 | -55.1 | -177.4 | -61.6 | 170.1 | 0 | 0 | 0 | 112.7 | L538 T543 L544 F545 | L538-I541 HydrophobicContact CD2-CD1 4.23Å; L538-I541 PolarHBondContact O-N 2.96Å; I541-T543 VanDerWaalsContact C-N 3.29Å; I541-T543 PolarHBondContact O-N 3.25Å; I541-L544 PolarHBondContact O-N 3.1Å; I541-F545 WeakPolarHBondContact O-CB 3.22Å; I541-F545 PolarHBondContact O-N 3.18Å |
| 542 | P | 85.8 | Confident | 81.3 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 178.9 | 25.4 | -33.1 | 0 | 0 | 0 | 111.6 | L538 E539 F545 I546 | L538-P542 WeakPolarHBondContact O-CD 3.48Å; E539-P542 VanDerWaalsContact O-CD 3.3Å; E539-P542 WeakPolarHBondContact O-CD 3.31Å; E539-P542 WeakPolarHBondContact O-CG 3.19Å; P542-F545 PolarHBondContact O-N 3.22Å; P542-I546 WeakPolarHBondContact O-CB 3.28Å; P542-I546 VanDerWaalsContact O-CG1 3.23Å; P542-I546 WeakPolarHBondContact O-CG1 3.4Å; P542-I546 PolarHBondContact O-N 3.42Å |
| 543 | T | 84 | Confident | 82.6 | Confident | 76 Ų | 76 | 66 Ų | 66 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 176 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | E539 A540 I541 I546 L547 I815 | E539-T543 PolarHBondContact O-OG1 2.83Å; A540-T543 PolarHBondContact O-N 3.4Å; I541-T543 VanDerWaalsContact C-N 3.29Å; I541-T543 PolarHBondContact O-N 3.25Å; T543-I546 PolarHBondContact O-N 2.87Å; T543-L547 PolarHBondContact O-N 3.06Å; T543-I815 HydrophobicContact CG2-CD1 3.96Å; T543-I815 HydrophobicContact CG2-CG1 4.47Å |
| 544 | L | 88.2 | Confident | 83.5 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.1 | -171 | 65.4 | 0 | 0 | 0 | 111.4 | A540 I541 I546 L547 I548 I808 A812 I815 | A540-L544 WeakPolarHBondContact O-CB 3.48Å; A540-L544 PolarHBondContact O-N 3.03Å; I541-L544 PolarHBondContact O-N 3.1Å; L544-I546 PolarHBondContact O-N 2.92Å; L544-L547 PolarHBondContact O-N 3.06Å; L544-I548 HydrophobicContact CD2-CD1 4.48Å; L544-I548 HydrophobicContact CG-CD1 3.87Å; L544-I548 HydrophobicContact CG-CG1 4.47Å; L544-I548 WeakPolarHBondContact O-CB 3.39Å; L544-I548 WeakPolarHBondContact O-CD1 3.29Å; L544-I548 WeakPolarHBondContact O-CG1 3.3Å; L544-I548 PolarHBondContact O-N 2.96Å; L544-I808 HydrophobicContact CD1-CG2 4.29Å; L544-A812 HydrophobicContact CD1-CB 4.19Å; L544-I815 HydrophobicContact CB-CD1 4.06Å; L544-I815 HydrophobicContact CD1-CD1 4.26Å |
| 545 | F | 89.7 | Confident | 84.1 | Confident | 104 Ų | 104 | 66.5 Ų | 66.5 | 46% | 0.456 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 176.7 | 179 | -100.2 | 0 | 0 | 0 | 112.4 | I541 P542 I548 T549 L595 | I541-F545 WeakPolarHBondContact O-CB 3.22Å; I541-F545 PolarHBondContact O-N 3.18Å; P542-F545 PolarHBondContact O-N 3.22Å; F545-I548 PolarHBondContact O-N 3.04Å; F545-T549 WeakPolarHBondContact O-CB 3.18Å; F545-T549 PolarHBondContact O-N 2.98Å; F545-T549 PolarHBondContact O-OG1 3.33Å; F545-L595 HydrophobicContact CE2-CD1 4.11Å; F545-L595 HydrophobicContact CE2-CD2 4.47Å |
| 546 | I | 89.5 | Confident | 84.7 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 176 | -69.6 | 165.7 | 0 | 0 | 0 | 110.3 | P542 T543 L544 I548 T549 I550 | P542-I546 WeakPolarHBondContact O-CB 3.28Å; P542-I546 VanDerWaalsContact O-CG1 3.23Å; P542-I546 WeakPolarHBondContact O-CG1 3.4Å; P542-I546 PolarHBondContact O-N 3.42Å; T543-I546 PolarHBondContact O-N 2.87Å; L544-I546 PolarHBondContact O-N 2.92Å; I546-I548 PolarHBondContact O-N 3.07Å; I546-T549 PolarHBondContact O-N 2.8Å; I546-I550 HydrophobicContact CG2-CD1 3.59Å; I546-I550 HydrophobicContact CG2-CG1 4.28Å; I546-I550 WeakPolarHBondContact O-CB 3.17Å; I546-I550 WeakPolarHBondContact O-CG1 3.39Å; I546-I550 PolarHBondContact O-N 3.29Å |
| 547 | L | 89 | Confident | 85.4 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 176.7 | 179.4 | 145.3 | 0 | 0 | 0 | 111.8 | T543 L544 S551 I808 | T543-L547 PolarHBondContact O-N 3.06Å; L544-L547 PolarHBondContact O-N 3.06Å; L547-S551 WeakPolarHBondContact O-CB 3Å; L547-S551 PolarHBondContact O-N 3.1Å; L547-S551 PolarHBondContact O-OG 2.96Å; L547-I808 HydrophobicContact CD2-CG1 4.02Å |
| 548 | I | 90.7 | Very high | 85.4 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 176.8 | -68.6 | 158.6 | 0 | 0 | 0 | 110.5 | L544 F545 I546 F552 Y594 L595 L598 I808 | L544-I548 HydrophobicContact CD2-CD1 4.48Å; L544-I548 HydrophobicContact CG-CD1 3.87Å; L544-I548 HydrophobicContact CG-CG1 4.47Å; L544-I548 WeakPolarHBondContact O-CB 3.39Å; L544-I548 WeakPolarHBondContact O-CD1 3.29Å; L544-I548 WeakPolarHBondContact O-CG1 3.3Å; L544-I548 PolarHBondContact O-N 2.96Å; F545-I548 PolarHBondContact O-N 3.04Å; I546-I548 PolarHBondContact O-N 3.07Å; I548-F552 WeakPolarHBondContact O-CB 3.3Å; I548-F552 PolarHBondContact O-N 2.89Å; I548-Y594 HydrophobicContact CG2-CD1 4.44Å; I548-Y594 HydrophobicContact CG2-CE1 4Å; I548-L595 HydrophobicContact CG2-CD2 3.71Å; I548-L598 HydrophobicContact CD1-CD2 3.43Å; I548-L598 VanDerWaalsContact CD1-CD2 3.43Å; I548-L598 HydrophobicContact CG1-CD2 3.88Å; I548-L598 HydrophobicContact CG2-CD2 4.17Å; I548-I808 HydrophobicContact CB-CD1 4.46Å; I548-I808 HydrophobicContact CG1-CD1 3.78Å; I548-I808 HydrophobicContact CG1-CG1 3.76Å; I548-I808 HydrophobicContact CG1-CG2 4.24Å; I548-I808 HydrophobicContact CG2-CD1 4.32Å |
| 549 | T | 91 | Very high | 84.9 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.7 | -55.2 | -178.3 | -54 | 0 | 0 | 0 | 0 | 110.7 | F545 I546 S551 F552 F553 Y591 | F545-T549 WeakPolarHBondContact O-CB 3.18Å; F545-T549 PolarHBondContact O-N 2.98Å; F545-T549 PolarHBondContact O-OG1 3.33Å; I546-T549 PolarHBondContact O-N 2.8Å; T549-S551 PolarHBondContact O-N 3.05Å; T549-F552 PolarHBondContact O-N 2.68Å; T549-F553 HydrophobicContact CG2-CD2 3.93Å; T549-F553 HydrophobicContact CG2-CE2 3.89Å; T549-F553 VanDerWaalsContact O-CD2 3.23Å; T549-F553 WeakPolarHBondContact O-CD2 3.02Å; T549-F553 PolarHBondContact O-N 3.29Å; T549-F553 VanDerWaalsContact O-N 3.14Å; T549-Y591 PolarHBondContact OG1-OH 3.34Å |
| 550 | I | 89.1 | Confident | 84.7 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | -177.6 | -67.5 | 173.8 | 0 | 0 | 0 | 110.2 | I546 F552 F553 M554 | I546-I550 HydrophobicContact CG2-CD1 3.59Å; I546-I550 HydrophobicContact CG2-CG1 4.28Å; I546-I550 WeakPolarHBondContact O-CB 3.17Å; I546-I550 WeakPolarHBondContact O-CG1 3.39Å; I546-I550 PolarHBondContact O-N 3.29Å; I550-F552 VanDerWaalsContact C-N 3.34Å; I550-F552 PolarHBondContact O-N 2.85Å; I550-F553 PolarHBondContact O-N 3.12Å; I550-M554 HydrophobicContact CG2-CG 4.13Å; I550-M554 HydrophobicContact CG2-SD 3.74Å; I550-M554 WeakPolarHBondContact O-CB 3.37Å; I550-M554 VanDerWaalsContact O-CG 3.31Å; I550-M554 WeakPolarHBondContact O-CG 3.27Å; I550-M554 PolarHBondContact O-N 2.68Å |
| 551 | S | 87.9 | Confident | 84.4 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | L547 T549 M554 M555 L804 | L547-S551 WeakPolarHBondContact O-CB 3Å; L547-S551 PolarHBondContact O-N 3.1Å; L547-S551 PolarHBondContact O-OG 2.96Å; T549-S551 PolarHBondContact O-N 3.05Å; S551-M554 PolarHBondContact O-N 3.21Å; S551-M555 WeakPolarHBondContact O-CG 3.46Å; S551-M555 PolarHBondContact O-N 3.37Å; S551-L804 VanDerWaalsContact O-CD2 3.27Å; S551-L804 WeakPolarHBondContact O-CD2 3.26Å |
| 552 | F | 90.4 | Very high | 83.9 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.4 | -51.9 | 178.7 | -179.6 | -87.8 | 0 | 0 | 0 | 111.8 | I548 T549 I550 M555 R556 I587 Q590 Y591 Y594 L804 | I548-F552 WeakPolarHBondContact O-CB 3.3Å; I548-F552 PolarHBondContact O-N 2.89Å; T549-F552 PolarHBondContact O-N 2.68Å; I550-F552 VanDerWaalsContact C-N 3.34Å; I550-F552 PolarHBondContact O-N 2.85Å; F552-M555 PolarHBondContact O-N 2.95Å; F552-R556 HydrophobicContact CD1-CG 4.27Å; F552-R556 HydrophobicContact CE1-CG 3.88Å; F552-R556 HydrophobicContact CZ-CG 4.04Å; F552-R556 WeakPolarHBondContact O-CG 2.9Å; F552-R556 PolarHBondContact O-N 3.26Å; F552-I587 HydrophobicContact CE1-CG1 4.18Å; F552-Q590 HydrophobicContact CZ-CB 3.94Å; F552-Y591 HydrophobicContact CB-CD2 4.18Å; F552-Y591 HydrophobicContact CB-CE2 4.37Å; F552-Y591 AromaticContact CD1-CD2 3.57Å; F552-Y591 HydrophobicContact CD1-CD2 3.57Å; F552-Y591 HydrophobicContact CD1-CE2 4.46Å; F552-Y591 HydrophobicContact CD1-CG 4.22Å; F552-Y591 HydrophobicContact CD2-CD2 4.24Å; F552-Y591 AromaticContact CE1-CD2 3.98Å; F552-Y591 HydrophobicContact CE1-CD2 3.98Å; F552-Y591 HydrophobicContact CE1-CG 4.23Å; F552-Y591 AromaticContact CG-CD2 3.73Å; F552-Y591 HydrophobicContact CG-CD2 3.73Å; F552-Y591 HydrophobicContact CG-CE2 4.4Å; F552-Y591 HydrophobicContact CZ-CD2 4.46Å; F552-Y594 AromaticContact CD2-CD1 3.69Å; F552-Y594 HydrophobicContact CD2-CD1 3.69Å; F552-Y594 HydrophobicContact CD2-CE1 4.25Å; F552-Y594 HydrophobicContact CD2-CG 4.04Å; F552-Y594 HydrophobicContact CE2-CD1 4.25Å; F552-Y594 HydrophobicContact CE2-CG 4.16Å; F552-L804 HydrophobicContact CD2-CD1 4.16Å |
| 553 | F | 89 | Confident | 83.5 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 23% | 0.228 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.3 | -38.3 | -179 | -75.6 | -70.8 | 0 | 0 | 0 | 112.2 | T549 I550 M555 R556 L557 I587 M588 Y591 | T549-F553 HydrophobicContact CG2-CD2 3.93Å; T549-F553 HydrophobicContact CG2-CE2 3.89Å; T549-F553 VanDerWaalsContact O-CD2 3.23Å; T549-F553 WeakPolarHBondContact O-CD2 3.02Å; T549-F553 PolarHBondContact O-N 3.29Å; T549-F553 VanDerWaalsContact O-N 3.14Å; I550-F553 PolarHBondContact O-N 3.12Å; F553-M555 VanDerWaalsContact C-N 3.34Å; F553-M555 PolarHBondContact O-N 3.2Å; F553-R556 PolarHBondContact O-N 3.44Å; F553-L557 VanDerWaalsContact O-CB 3.31Å; F553-L557 WeakPolarHBondContact O-CB 3.35Å; F553-L557 WeakPolarHBondContact O-CG 3.26Å; F553-L557 PolarHBondContact O-N 3.41Å; F553-I587 HydrophobicContact CD1-CD1 4.22Å; F553-I587 HydrophobicContact CE1-CD1 4.22Å; F553-I587 HydrophobicContact CE1-CG1 4.34Å; F553-M588 HydrophobicContact CE1-CE 4.21Å; F553-M588 HydrophobicContact CZ-CE 3.92Å; F553-M588 HydrophobicContact CZ-SD 4.03Å; F553-Y591 HydrophobicContact CE2-CD2 4.45Å; F553-Y591 HydrophobicContact CZ-CG 4.43Å |
| 554 | M | 84.2 | Confident | 82.9 | Confident | 130 Ų | 130 | 57.6 Ų | 57.6 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.1 | -44.9 | 174.8 | -78.7 | -174.4 | 68.2 | 0 | 0 | 111.9 | I550 S551 R556 L557 A558 | I550-M554 HydrophobicContact CG2-CG 4.13Å; I550-M554 HydrophobicContact CG2-SD 3.74Å; I550-M554 WeakPolarHBondContact O-CB 3.37Å; I550-M554 VanDerWaalsContact O-CG 3.31Å; I550-M554 WeakPolarHBondContact O-CG 3.27Å; I550-M554 PolarHBondContact O-N 2.68Å; S551-M554 PolarHBondContact O-N 3.21Å; M554-R556 VanDerWaalsContact C-N 3.34Å; M554-R556 PolarHBondContact O-N 2.97Å; M554-L557 PolarHBondContact O-N 3.05Å; M554-A558 PolarHBondContact O-N 3.15Å; M554-A558 VanDerWaalsContact O-N 3.09Å |
| 555 | M | 83.2 | Confident | 81.9 | Confident | 39 Ų | 39 | 58 Ų | 58 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.6 | -34.5 | 178.5 | -72.1 | -61.1 | -62.3 | 0 | 0 | 112.6 | S551 F552 F553 Y800 V803 L804 | S551-M555 WeakPolarHBondContact O-CG 3.46Å; S551-M555 PolarHBondContact O-N 3.37Å; F552-M555 PolarHBondContact O-N 2.95Å; F553-M555 VanDerWaalsContact C-N 3.34Å; F553-M555 PolarHBondContact O-N 3.2Å; M555-Y800 HydrophobicContact CE-CD1 3.53Å; M555-Y800 HydrophobicContact CE-CE1 4.16Å; M555-Y800 HydrophobicContact CE-CG 4.31Å; M555-V803 HydrophobicContact CE-CB 3.9Å; M555-V803 HydrophobicContact CE-CG1 3.9Å; M555-V803 HydrophobicContact CE-CG2 4.33Å; M555-V803 HydrophobicContact SD-CB 4.46Å; M555-V803 HydrophobicContact SD-CG1 3.83Å; M555-L804 HydrophobicContact CB-CD1 4.46Å; M555-L804 HydrophobicContact CB-CD2 4.03Å; M555-L804 HydrophobicContact CB-CG 4.27Å; M555-L804 HydrophobicContact CG-CD2 3.56Å; M555-L804 HydrophobicContact CG-CG 3.92Å |
| 556 | R | 81.3 | Confident | 80.6 | Confident | 62 Ų | 62 | 62.9 Ų | 62.9 | 23% | 0.234 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.4 | -27.9 | 177.4 | -71.1 | -67.2 | -177.7 | -171.5 | -0.1 | 113.9 | F552 F553 M554 I587 | F552-R556 HydrophobicContact CD1-CG 4.27Å; F552-R556 HydrophobicContact CE1-CG 3.88Å; F552-R556 HydrophobicContact CZ-CG 4.04Å; F552-R556 WeakPolarHBondContact O-CG 2.9Å; F552-R556 PolarHBondContact O-N 3.26Å; F553-R556 PolarHBondContact O-N 3.44Å; M554-R556 VanDerWaalsContact C-N 3.34Å; M554-R556 PolarHBondContact O-N 2.97Å; R556-I587 HydrophobicContact CB-CD1 3.88Å; R556-I587 HydrophobicContact CG-CD1 4.33Å |
| 557 | L | 81.8 | Confident | 79.5 | Confident | 138 Ų | 138 | 69.1 Ų | 69.1 | 72% | 0.723 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -84.5 | -16.7 | 176.5 | -69.9 | 170.2 | 0 | 0 | 0 | 112.8 | F553 M554 | F553-L557 VanDerWaalsContact O-CB 3.31Å; F553-L557 WeakPolarHBondContact O-CB 3.35Å; F553-L557 WeakPolarHBondContact O-CG 3.26Å; F553-L557 PolarHBondContact O-N 3.41Å; M554-L557 PolarHBondContact O-N 3.05Å |
| 558 | A | 75.7 | Confident | 78.7 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 35% | 0.347 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -62.6 | 132.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M554 G560 | M554-A558 PolarHBondContact O-N 3.15Å; M554-A558 VanDerWaalsContact O-N 3.09Å; A558-G560 PolarHBondContact O-N 3.37Å |
| 559 | P | 71.2 | Confident | 78 | Confident | 118 Ų | 118 | 76 Ų | 76 | 77% | 0.766 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -66.4 | 129.3 | -178 | 25.4 | -33 | 0 | 0 | 0 | 111.6 | ||
| 560 | G | 71.5 | Confident | 77.7 | Confident | 40 Ų | 40 | 78.2 Ų | 78.2 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 121.5 | 177.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | A558 Y800 | A558-G560 PolarHBondContact O-N 3.37Å; G560-Y800 VanDerWaalsContact C-OH 3.31Å; G560-Y800 PolarHBondContact O-OH 3Å |
| 561 | S | 74.9 | Confident | 77.3 | Confident | 25 Ų | 25 | 79.1 Ų | 79.1 | 18% | 0.175 | 44% | 0.443 | C | S | . | . | trans | -134.8 | 153.4 | 171.5 | 151.4 | 0 | 0 | 0 | 0 | 109.5 | F563 T564 Y800 | S561-F563 PolarHBondContact O-N 3.27Å; S561-F563 PolarHBondContact OG-N 3.14Å; S561-F563 VanDerWaalsContact OG-N 3.16Å; S561-T564 PolarHBondContact N-OG1 3.23Å; S561-T564 PolarHBondContact O-N 3.23Å; S561-T564 PolarHBondContact O-OG1 3.07Å; S561-Y800 WeakPolarHBondContact CA-OH 3.37Å | ||
| 562 | P | 74.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 85.7 Ų | 85.7 | 1% | 0.006 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -23.1 | 173.7 | -18.7 | 30.8 | 0 | 0 | 0 | 111.6 | F607 K608 R798 Y800 | P562-F607 HydrophobicContact CB-CB 3.85Å; P562-F607 HydrophobicContact CB-CD2 4.49Å; P562-F607 HydrophobicContact CB-CG 4.29Å; P562-F607 HydrophobicContact CG-CB 4.36Å; P562-F607 HydrophobicContact CG-CD2 4.13Å; P562-F607 HydrophobicContact CG-CG 4.27Å; P562-K608 WeakPolarHBondContact O-CE 3.47Å; P562-K608 PolarHBondContact O-NZ 3.36Å; P562-R798 VanDerWaalsContact CB-O 3.24Å; P562-R798 WeakPolarHBondContact CB-O 3.27Å; P562-R798 VanDerWaalsContact CG-O 3.23Å; P562-R798 WeakPolarHBondContact CG-O 3.39Å; P562-Y800 VanDerWaalsContact CD-CE2 3.47Å; P562-Y800 HydrophobicContact CG-CD1 4.07Å; P562-Y800 HydrophobicContact CG-CD2 3.71Å; P562-Y800 HydrophobicContact CG-CE1 4.07Å; P562-Y800 HydrophobicContact CG-CE2 3.74Å; P562-Y800 HydrophobicContact CG-CG 3.9Å |
| 563 | F | 77.7 | Confident | 76.8 | Confident | 32 Ų | 32 | 88.4 Ų | 88.4 | 14% | 0.14 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1 | -178.1 | -51.4 | -68.6 | 0 | 0 | 0 | 113.9 | S561 L569 M574 I577 Y581 L583 F607 | S561-F563 PolarHBondContact O-N 3.27Å; S561-F563 PolarHBondContact OG-N 3.14Å; S561-F563 VanDerWaalsContact OG-N 3.16Å; F563-L569 HydrophobicContact CB-CD1 4.38Å; F563-M574 HydrophobicContact CB-SD 3.6Å; F563-M574 HydrophobicContact CD2-CE 4.37Å; F563-M574 HydrophobicContact CD2-SD 4.29Å; F563-M574 HydrophobicContact CG-SD 4.17Å; F563-I577 HydrophobicContact CD1-CD1 4.43Å; F563-I577 HydrophobicContact CD1-CG2 3.67Å; F563-I577 HydrophobicContact CD2-CG2 3.42Å; F563-I577 VanDerWaalsContact CD2-CG2 3.42Å; F563-I577 HydrophobicContact CE1-CG2 3.57Å; F563-I577 HydrophobicContact CE2-CG2 3.3Å; F563-I577 HydrophobicContact CG-CG2 3.61Å; F563-I577 HydrophobicContact CZ-CG2 3.39Å; F563-Y581 HydrophobicContact CE1-CD2 4.28Å; F563-Y581 AromaticContact CE1-CE2 3.89Å; F563-Y581 HydrophobicContact CE1-CE2 3.89Å; F563-Y581 HydrophobicContact CE2-CD2 4Å; F563-Y581 HydrophobicContact CE2-CE2 4.44Å; F563-Y581 AromaticContact CZ-CD2 3.41Å; F563-Y581 HydrophobicContact CZ-CD2 3.41Å; F563-Y581 VanDerWaalsContact CZ-CD2 3.41Å; F563-Y581 AromaticContact CZ-CE2 3.44Å; F563-Y581 HydrophobicContact CZ-CE2 3.44Å; F563-Y581 VanDerWaalsContact CZ-CE2 3.44Å; F563-Y581 HydrophobicContact CZ-CG 4.29Å; F563-L583 HydrophobicContact CD2-CD1 4.25Å; F563-L583 HydrophobicContact CE2-CD1 3.69Å; F563-F607 HydrophobicContact CE1-CB 4.35Å; F563-F607 HydrophobicContact CE2-CD1 4.33Å; F563-F607 HydrophobicContact CZ-CB 3.95Å; F563-F607 AromaticContact CZ-CD1 3.83Å; F563-F607 HydrophobicContact CZ-CD1 3.83Å; F563-F607 HydrophobicContact CZ-CG 4.21Å |
| 564 | T | 69.8 | Low | 76.5 | Confident | 75 Ų | 75 | 87.5 Ų | 87.5 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | trans | -75.4 | 123.3 | 169.8 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | S561 R798 | S561-T564 PolarHBondContact N-OG1 3.23Å; S561-T564 PolarHBondContact O-N 3.23Å; S561-T564 PolarHBondContact O-OG1 3.07Å; T564-R798 PolarHBondContact OG1-NH1 2.87Å | ||
| 565 | G | 67.4 | Low | 76.4 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | trans | -148.2 | -177.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R567 | G565-R567 PolarHBondContact O-N 2.79Š| ||
| 566 | E | 63.8 | Low | 76.5 | Confident | 207 Ų | 207 | 87.3 Ų | 87.3 | 97% | 0.967 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -60.6 | -29.9 | -177.9 | -69.3 | -180 | 174.9 | 0 | 0 | 113.6 | ||
| 567 | R | 66.7 | Low | 76.6 | Confident | 225 Ų | 225 | 86 Ų | 86 | 85% | 0.849 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -97.6 | 114.6 | 172.2 | -69.6 | -175.7 | 178.8 | -179.4 | -0.3 | 109.7 | G565 L569 | G565-R567 PolarHBondContact O-N 2.79Å; R567-L569 PolarHBondContact O-N 3.47Å |
| 568 | T | 70.7 | Confident | 76.7 | Confident | 136 Ų | 136 | 82.9 Ų | 82.9 | 83% | 0.834 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 118.9 | 170 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 569 | L | 76.5 | Confident | 77.1 | Confident | 72 Ų | 72 | 83 Ų | 83 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 143.8 | 174 | -67.7 | 170.8 | 0 | 0 | 0 | 109.9 | F563 R567 V573 M574 I577 | F563-L569 HydrophobicContact CB-CD1 4.38Å; R567-L569 PolarHBondContact O-N 3.47Å; L569-V573 HydrophobicContact CD2-CG1 4.39Å; L569-M574 HydrophobicContact CD1-SD 4.39Å; L569-I577 HydrophobicContact CD1-CD1 3.77Å |
| 570 | P | 83.8 | Confident | 77.7 | Confident | 76 Ų | 76 | 84.8 Ų | 84.8 | 49% | 0.494 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 141.1 | 171.1 | -24.3 | 33.2 | 0 | 0 | 0 | 110.8 | E572 V573 M574 | P570-E572 PolarHBondContact O-N 3.33Å; P570-E572 VanDerWaalsContact O-N 3.13Å; P570-V573 HydrophobicContact CB-CG2 4.12Å; P570-V573 HydrophobicContact CG-CG2 4.17Å; P570-V573 WeakPolarHBondContact O-CB 3.39Å; P570-V573 PolarHBondContact O-N 3.2Å; P570-M574 PolarHBondContact O-N 3.11Å; P570-M574 VanDerWaalsContact O-N 3.07Å |
| 571 | P | 81.9 | Confident | 78.3 | Confident | 111 Ų | 111 | 84.9 Ų | 84.9 | 72% | 0.721 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -53.8 | -37.1 | -176.1 | -28.7 | 35.1 | 0 | 0 | 0 | 114 | V573 M574 A575 | P571-V573 PolarHBondContact O-N 2.87Å; P571-M574 PolarHBondContact O-N 3.17Å; P571-A575 PolarHBondContact O-N 3.32Å |
| 572 | E | 84.2 | Confident | 78.7 | Confident | 159 Ų | 159 | 89 Ų | 89 | 74% | 0.743 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.4 | -39.3 | 176.5 | -64.3 | 179.8 | -177.7 | 0 | 0 | 112.6 | P570 M574 N576 | P570-E572 PolarHBondContact O-N 3.33Å; P570-E572 VanDerWaalsContact O-N 3.13Å; E572-M574 VanDerWaalsContact C-N 3.35Å; E572-N576 VanDerWaalsContact O-CG 3.3Å; E572-N576 PolarHBondContact O-N 3.1Å; E572-N576 VanDerWaalsContact O-N 3.09Å; E572-N576 PolarHBondContact O-ND2 2.86Å; E572-N576 VanDerWaalsContact O-ND2 3.13Å |
| 573 | V | 83.2 | Confident | 79 | Confident | 61 Ų | 61 | 90.1 Ų | 90.1 | 37% | 0.37 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | L569 P570 P571 N576 I577 | L569-V573 HydrophobicContact CD2-CG1 4.39Å; P570-V573 HydrophobicContact CB-CG2 4.12Å; P570-V573 HydrophobicContact CG-CG2 4.17Å; P570-V573 WeakPolarHBondContact O-CB 3.39Å; P570-V573 PolarHBondContact O-N 3.2Å; P571-V573 PolarHBondContact O-N 2.87Å; V573-N576 PolarHBondContact O-N 2.8Å; V573-I577 HydrophobicContact CG1-CD1 3.9Å; V573-I577 HydrophobicContact CG1-CG1 4.48Å; V573-I577 VanDerWaalsContact O-CG1 3.25Å; V573-I577 WeakPolarHBondContact O-CG1 3.42Å; V573-I577 PolarHBondContact O-N 2.85Å |
| 574 | M | 81.9 | Confident | 79.4 | Confident | 33 Ų | 33 | 93 Ų | 93 | 16% | 0.163 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 176.5 | -119.7 | -27.3 | -61.4 | 0 | 0 | 111.6 | F563 L569 P570 P571 E572 N576 I577 E578 | F563-M574 HydrophobicContact CB-SD 3.6Å; F563-M574 HydrophobicContact CD2-CE 4.37Å; F563-M574 HydrophobicContact CD2-SD 4.29Å; F563-M574 HydrophobicContact CG-SD 4.17Å; L569-M574 HydrophobicContact CD1-SD 4.39Å; P570-M574 PolarHBondContact O-N 3.11Å; P570-M574 VanDerWaalsContact O-N 3.07Å; P571-M574 PolarHBondContact O-N 3.17Å; E572-M574 VanDerWaalsContact C-N 3.35Å; M574-N576 VanDerWaalsContact C-N 3.27Å; M574-N576 PolarHBondContact O-N 2.82Å; M574-I577 HydrophobicContact CE-CB 4.35Å; M574-I577 HydrophobicContact CE-CG2 4.37Å; M574-I577 WeakPolarHBondContact O-CB 3.47Å; M574-I577 PolarHBondContact O-N 3.29Å; M574-I577 HydrophobicContact SD-CB 4.35Å; M574-I577 HydrophobicContact SD-CD1 4.49Å; M574-I577 HydrophobicContact SD-CG2 4.39Å; M574-E578 HydrophobicContact CE-CB 4.04Å; M574-E578 HydrophobicContact CE-CG 3.33Å; M574-E578 WeakPolarHBondContact CE-OE1 3.11Å; M574-E578 WeakPolarHBondContact O-CB 3.14Å; M574-E578 PolarHBondContact O-N 3.26Å |
| 575 | A | 82.9 | Confident | 80.1 | Confident | 51 Ų | 51 | 91.8 Ų | 91.8 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | P571 E578 A579 | P571-A575 PolarHBondContact O-N 3.32Å; A575-E578 PolarHBondContact O-N 2.92Å; A575-A579 WeakPolarHBondContact O-CB 3.33Å; A575-A579 PolarHBondContact O-N 3.35Å |
| 576 | N | 85.4 | Confident | 81.2 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67 | -37.9 | 175.4 | -74.5 | -31.7 | 0 | 0 | 0 | 112.9 | E572 V573 M574 K580 | E572-N576 VanDerWaalsContact O-CG 3.3Å; E572-N576 PolarHBondContact O-N 3.1Å; E572-N576 VanDerWaalsContact O-N 3.09Å; E572-N576 PolarHBondContact O-ND2 2.86Å; E572-N576 VanDerWaalsContact O-ND2 3.13Å; V573-N576 PolarHBondContact O-N 2.8Å; M574-N576 VanDerWaalsContact C-N 3.27Å; M574-N576 PolarHBondContact O-N 2.82Å; N576-K580 VanDerWaalsContact O-CB 3.29Å; N576-K580 WeakPolarHBondContact O-CB 3.27Å; N576-K580 PolarHBondContact O-N 3.01Å |
| 577 | I | 82.7 | Confident | 82.3 | Confident | 34 Ų | 34 | 86.9 Ų | 86.9 | 17% | 0.174 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.3 | -46.4 | 175.4 | -71.4 | 169.6 | 0 | 0 | 0 | 110.3 | F563 L569 V573 M574 A579 K580 Y581 | F563-I577 HydrophobicContact CD1-CD1 4.43Å; F563-I577 HydrophobicContact CD1-CG2 3.67Å; F563-I577 HydrophobicContact CD2-CG2 3.42Å; F563-I577 VanDerWaalsContact CD2-CG2 3.42Å; F563-I577 HydrophobicContact CE1-CG2 3.57Å; F563-I577 HydrophobicContact CE2-CG2 3.3Å; F563-I577 HydrophobicContact CG-CG2 3.61Å; F563-I577 HydrophobicContact CZ-CG2 3.39Å; L569-I577 HydrophobicContact CD1-CD1 3.77Å; V573-I577 HydrophobicContact CG1-CD1 3.9Å; V573-I577 HydrophobicContact CG1-CG1 4.48Å; V573-I577 VanDerWaalsContact O-CG1 3.25Å; V573-I577 WeakPolarHBondContact O-CG1 3.42Å; V573-I577 PolarHBondContact O-N 2.85Å; M574-I577 HydrophobicContact CE-CB 4.35Å; M574-I577 HydrophobicContact CE-CG2 4.37Å; M574-I577 WeakPolarHBondContact O-CB 3.47Å; M574-I577 PolarHBondContact O-N 3.29Å; M574-I577 HydrophobicContact SD-CB 4.35Å; M574-I577 HydrophobicContact SD-CD1 4.49Å; M574-I577 HydrophobicContact SD-CG2 4.39Å; I577-A579 VanDerWaalsContact C-N 3.32Å; I577-A579 PolarHBondContact O-N 2.93Å; I577-K580 PolarHBondContact O-N 2.98Å; I577-Y581 HydrophobicContact CG2-CD2 3.81Å; I577-Y581 HydrophobicContact CG2-CE2 4.13Å; I577-Y581 WeakPolarHBondContact O-CD2 3.36Å; I577-Y581 PolarHBondContact O-N 3.44Å |
| 578 | E | 83.8 | Confident | 83.3 | Confident | 74 Ų | 74 | 81 Ų | 81 | 35% | 0.346 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 176 | -99.5 | 160 | -156.3 | 0 | 0 | 111.3 | M574 A575 Y581 H582 L583 N584 | M574-E578 HydrophobicContact CE-CB 4.04Å; M574-E578 HydrophobicContact CE-CG 3.33Å; M574-E578 WeakPolarHBondContact CE-OE1 3.11Å; M574-E578 WeakPolarHBondContact O-CB 3.14Å; M574-E578 PolarHBondContact O-N 3.26Å; A575-E578 PolarHBondContact O-N 2.92Å; E578-Y581 PolarHBondContact O-N 2.85Å; E578-H582 CarbonylContact O-C 3.45Å; E578-H582 PolarHBondContact O-N 2.82Å; E578-L583 HydrophobicContact CB-CB 4.34Å; E578-L583 HydrophobicContact CG-CB 3.86Å; E578-L583 PolarHBondContact O-N 3.41Å; E578-N584 HydrophobicContact CB-CB 4.28Å; E578-N584 PolarHBondContact O-OD1 3.44Å |
| 579 | A | 85 | Confident | 84.2 | Confident | 44 Ų | 44 | 77.5 Ų | 77.5 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A575 I577 Y581 H582 | A575-A579 WeakPolarHBondContact O-CB 3.33Å; A575-A579 PolarHBondContact O-N 3.35Å; I577-A579 VanDerWaalsContact C-N 3.32Å; I577-A579 PolarHBondContact O-N 2.93Å; A579-Y581 VanDerWaalsContact C-N 3.27Å; A579-Y581 PolarHBondContact O-N 3.11Å; A579-H582 PolarHBondContact O-N 3.48Å |
| 580 | K | 83.5 | Confident | 84.8 | Confident | 155 Ų | 155 | 75 Ų | 75 | 67% | 0.674 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.7 | -37.1 | 179.3 | 179.6 | 177.6 | 178.8 | -179.9 | 0 | 112.5 | N576 I577 | N576-K580 VanDerWaalsContact O-CB 3.29Å; N576-K580 WeakPolarHBondContact O-CB 3.27Å; N576-K580 PolarHBondContact O-N 3.01Å; I577-K580 PolarHBondContact O-N 2.98Å |
| 581 | Y | 83.3 | Confident | 85.2 | Confident | 42 Ų | 42 | 72 Ų | 72 | 17% | 0.165 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 8.6 | -176 | -75.3 | -62.7 | 0 | 0 | 0 | 113.6 | F563 I577 E578 A579 L583 P605 F607 | F563-Y581 HydrophobicContact CE1-CD2 4.28Å; F563-Y581 AromaticContact CE1-CE2 3.89Å; F563-Y581 HydrophobicContact CE1-CE2 3.89Å; F563-Y581 HydrophobicContact CE2-CD2 4Å; F563-Y581 HydrophobicContact CE2-CE2 4.44Å; F563-Y581 AromaticContact CZ-CD2 3.41Å; F563-Y581 HydrophobicContact CZ-CD2 3.41Å; F563-Y581 VanDerWaalsContact CZ-CD2 3.41Å; F563-Y581 AromaticContact CZ-CE2 3.44Å; F563-Y581 HydrophobicContact CZ-CE2 3.44Å; F563-Y581 VanDerWaalsContact CZ-CE2 3.44Å; F563-Y581 HydrophobicContact CZ-CG 4.29Å; I577-Y581 HydrophobicContact CG2-CD2 3.81Å; I577-Y581 HydrophobicContact CG2-CE2 4.13Å; I577-Y581 WeakPolarHBondContact O-CD2 3.36Å; I577-Y581 PolarHBondContact O-N 3.44Å; E578-Y581 PolarHBondContact O-N 2.85Å; A579-Y581 VanDerWaalsContact C-N 3.27Å; A579-Y581 PolarHBondContact O-N 3.11Å; Y581-L583 PolarHBondContact O-N 3.49Å; Y581-P605 HydrophobicContact CD1-CG 4.05Å; Y581-P605 HydrophobicContact CE1-CB 4.21Å; Y581-P605 HydrophobicContact CE1-CG 3.98Å; Y581-F607 AromaticContact CD1-CD1 3.45Å; Y581-F607 HydrophobicContact CD1-CD1 3.45Å; Y581-F607 VanDerWaalsContact CD1-CD1 3.45Å; Y581-F607 AromaticContact CD1-CE1 3.34Å; Y581-F607 HydrophobicContact CD1-CE1 3.34Å; Y581-F607 HydrophobicContact CD2-CD1 4.03Å; Y581-F607 HydrophobicContact CD2-CE1 4.37Å; Y581-F607 AromaticContact CE1-CD1 3.71Å; Y581-F607 HydrophobicContact CE1-CD1 3.71Å; Y581-F607 HydrophobicContact CE1-CE1 4.04Å; Y581-F607 HydrophobicContact CE2-CD1 4.26Å; Y581-F607 AromaticContact CG-CD1 3.62Å; Y581-F607 HydrophobicContact CG-CD1 3.62Å; Y581-F607 AromaticContact CG-CE1 3.53Å; Y581-F607 HydrophobicContact CG-CE1 3.53Å |
| 582 | H | 83.7 | Confident | 85.6 | Confident | 112 Ų | 112 | 73.1 Ų | 73.1 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 29.6 | -178.8 | -62 | -80.6 | 0 | 0 | 0 | 113.7 | E578 A579 D585 Q590 | E578-H582 CarbonylContact O-C 3.45Å; E578-H582 PolarHBondContact O-N 2.82Å; A579-H582 PolarHBondContact O-N 3.48Å; H582-D585 WeakPolarHBondContact CB-OD2 3.35Å; H582-D585 IonicContact CG-OD2 3.62Å; H582-D585 IonicContact ND1-OD2 3.14Å; H582-D585 PolarHBondContact ND1-OD2 2.8Å; H582-D585 VanDerWaalsContact ND1-OD2 3.14Å; H582-Q590 VanDerWaalsContact O-CD 3.25Å; H582-Q590 VanDerWaalsContact O-CG 3.29Å; H582-Q590 WeakPolarHBondContact O-CG 3.49Å; H582-Q590 PolarHBondContact O-NE2 3.13Å |
| 583 | L | 82.3 | Confident | 85.8 | Confident | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | trans | -82 | -17.2 | 179.4 | -59 | -166.5 | 0 | 0 | 0 | 113.1 | F563 E578 Y581 Q590 F607 | F563-L583 HydrophobicContact CD2-CD1 4.25Å; F563-L583 HydrophobicContact CE2-CD1 3.69Å; E578-L583 HydrophobicContact CB-CB 4.34Å; E578-L583 HydrophobicContact CG-CB 3.86Å; E578-L583 PolarHBondContact O-N 3.41Å; Y581-L583 PolarHBondContact O-N 3.49Å; L583-Q590 PolarHBondContact O-NE2 3.47Å; L583-F607 HydrophobicContact CD2-CE1 4.43Å; L583-F607 HydrophobicContact CD2-CZ 4.26Å | ||
| 584 | N | 84.1 | Confident | 86.1 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -85 | -11.1 | 173.1 | 61.6 | -25.3 | 0 | 0 | 0 | 113.5 | E578 | E578-N584 HydrophobicContact CB-CB 4.28Å; E578-N584 PolarHBondContact O-OD1 3.44Å |
| 585 | D | 86.5 | Confident | 86.4 | Confident | 50 Ų | 50 | 66 Ų | 66 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -66.6 | 152.8 | 175.7 | -72.2 | -21.9 | 0 | 0 | 0 | 110.5 | H582 I587 T589 Q590 | H582-D585 WeakPolarHBondContact CB-OD2 3.35Å; H582-D585 IonicContact CG-OD2 3.62Å; H582-D585 IonicContact ND1-OD2 3.14Å; H582-D585 PolarHBondContact ND1-OD2 2.8Å; H582-D585 VanDerWaalsContact ND1-OD2 3.14Å; D585-I587 PolarHBondContact O-N 2.99Å; D585-T589 HydrophobicContact CB-CG2 4.33Å; D585-Q590 HydrophobicContact CB-CG 3.96Å; D585-Q590 PolarHBondContact O-NE2 3.42Å |
| 586 | P | 89.6 | Confident | 86.8 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 57% | 0.571 | 36% | 0.358 | S | S | * | . | trans | -52.2 | 138.8 | 172.4 | -26.1 | 34.2 | 0 | 0 | 0 | 111.4 | M588 T589 Q590 | P586-M588 PolarHBondContact O-N 2.87Å; P586-T589 WeakPolarHBondContact O-CA 3.47Å; P586-T589 VanDerWaalsContact O-CB 3.26Å; P586-T589 WeakPolarHBondContact O-CB 3.27Å; P586-T589 PolarHBondContact O-N 3.25Å; P586-Q590 PolarHBondContact O-N 3.3Å | ||
| 587 | I | 86.4 | Confident | 86.9 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.3 | -33.3 | -173.2 | -166.5 | 166.6 | 0 | 0 | 0 | 113.4 | F552 F553 R556 D585 Q590 Y591 | F552-I587 HydrophobicContact CE1-CG1 4.18Å; F553-I587 HydrophobicContact CD1-CD1 4.22Å; F553-I587 HydrophobicContact CE1-CD1 4.22Å; F553-I587 HydrophobicContact CE1-CG1 4.34Å; R556-I587 HydrophobicContact CB-CD1 3.88Å; R556-I587 HydrophobicContact CG-CD1 4.33Å; D585-I587 PolarHBondContact O-N 2.99Å; I587-Q590 WeakPolarHBondContact O-CB 3.39Å; I587-Q590 PolarHBondContact O-N 3.3Å; I587-Y591 WeakPolarHBondContact O-CB 3Å; I587-Y591 PolarHBondContact O-N 3.49Å |
| 588 | M | 88.5 | Confident | 87.2 | Confident | 101 Ų | 101 | 68.3 Ų | 68.3 | 50% | 0.498 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70 | -37.6 | 175.6 | -67.7 | -61.3 | 175.2 | 0 | 0 | 112.2 | F553 P586 Q590 Y591 F592 | F553-M588 HydrophobicContact CE1-CE 4.21Å; F553-M588 HydrophobicContact CZ-CE 3.92Å; F553-M588 HydrophobicContact CZ-SD 4.03Å; P586-M588 PolarHBondContact O-N 2.87Å; M588-Q590 VanDerWaalsContact C-N 3.33Å; M588-Y591 WeakPolarHBondContact O-CB 3.21Å; M588-Y591 PolarHBondContact O-N 2.56Å; M588-F592 HydrophobicContact CB-CE2 4.5Å; M588-F592 WeakPolarHBondContact O-CD2 3.49Å; M588-F592 PolarHBondContact O-N 3Å |
| 589 | T | 90.1 | Very high | 87.3 | Confident | 63 Ų | 63 | 68.9 Ų | 68.9 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 172.8 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | D585 P586 Y591 S593 | D585-T589 HydrophobicContact CB-CG2 4.33Å; P586-T589 WeakPolarHBondContact O-CA 3.47Å; P586-T589 VanDerWaalsContact O-CB 3.26Å; P586-T589 WeakPolarHBondContact O-CB 3.27Å; P586-T589 PolarHBondContact O-N 3.25Å; T589-Y591 VanDerWaalsContact C-N 3.33Å; T589-Y591 PolarHBondContact O-N 3.15Å; T589-S593 VanDerWaalsContact O-CB 3.28Å; T589-S593 WeakPolarHBondContact O-CB 3.42Å; T589-S593 PolarHBondContact O-N 3.5Å; T589-S593 PolarHBondContact O-OG 2.94Å |
| 590 | Q | 88.6 | Confident | 87.5 | Confident | 20 Ų | 20 | 73.9 Ų | 73.9 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 174.2 | -60.1 | -174.8 | 33.8 | 0 | 0 | 111.3 | F552 H582 L583 D585 P586 I587 M588 Y594 | F552-Q590 HydrophobicContact CZ-CB 3.94Å; H582-Q590 VanDerWaalsContact O-CD 3.25Å; H582-Q590 VanDerWaalsContact O-CG 3.29Å; H582-Q590 WeakPolarHBondContact O-CG 3.49Å; H582-Q590 PolarHBondContact O-NE2 3.13Å; L583-Q590 PolarHBondContact O-NE2 3.47Å; D585-Q590 HydrophobicContact CB-CG 3.96Å; D585-Q590 PolarHBondContact O-NE2 3.42Å; P586-Q590 PolarHBondContact O-N 3.3Å; I587-Q590 WeakPolarHBondContact O-CB 3.39Å; I587-Q590 PolarHBondContact O-N 3.3Å; M588-Q590 VanDerWaalsContact C-N 3.33Å; Q590-Y594 VanDerWaalsContact O-CB 3.26Å; Q590-Y594 WeakPolarHBondContact O-CB 3.35Å; Q590-Y594 PolarHBondContact O-N 3.08Å |
| 591 | Y | 90.8 | Very high | 87.6 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 178.6 | 178.4 | -118.6 | 0 | 0 | 0 | 112.6 | T549 F552 F553 I587 M588 T589 Y594 L595 | T549-Y591 PolarHBondContact OG1-OH 3.34Å; F552-Y591 HydrophobicContact CB-CD2 4.18Å; F552-Y591 HydrophobicContact CB-CE2 4.37Å; F552-Y591 AromaticContact CD1-CD2 3.57Å; F552-Y591 HydrophobicContact CD1-CD2 3.57Å; F552-Y591 HydrophobicContact CD1-CE2 4.46Å; F552-Y591 HydrophobicContact CD1-CG 4.22Å; F552-Y591 HydrophobicContact CD2-CD2 4.24Å; F552-Y591 AromaticContact CE1-CD2 3.98Å; F552-Y591 HydrophobicContact CE1-CD2 3.98Å; F552-Y591 HydrophobicContact CE1-CG 4.23Å; F552-Y591 AromaticContact CG-CD2 3.73Å; F552-Y591 HydrophobicContact CG-CD2 3.73Å; F552-Y591 HydrophobicContact CG-CE2 4.4Å; F552-Y591 HydrophobicContact CZ-CD2 4.46Å; F553-Y591 HydrophobicContact CE2-CD2 4.45Å; F553-Y591 HydrophobicContact CZ-CG 4.43Å; I587-Y591 WeakPolarHBondContact O-CB 3Å; I587-Y591 PolarHBondContact O-N 3.49Å; M588-Y591 WeakPolarHBondContact O-CB 3.21Å; M588-Y591 PolarHBondContact O-N 2.56Å; T589-Y591 VanDerWaalsContact C-N 3.33Å; T589-Y591 PolarHBondContact O-N 3.15Å; Y591-Y594 WeakPolarHBondContact O-CB 3.26Å; Y591-Y594 PolarHBondContact O-N 3.16Å; Y591-L595 HydrophobicContact CD1-CD1 4.23Å; Y591-L595 HydrophobicContact CD2-CG 4.44Å; Y591-L595 HydrophobicContact CE1-CD1 3.61Å; Y591-L595 HydrophobicContact CE1-CG 4.34Å; Y591-L595 HydrophobicContact CE2-CD1 4.11Å; Y591-L595 HydrophobicContact CE2-CD2 4.17Å; Y591-L595 HydrophobicContact CE2-CG 3.99Å; Y591-L595 WeakPolarHBondContact O-CG 3.4Å; Y591-L595 PolarHBondContact O-N 3.35Å |
| 592 | F | 91 | Very high | 87.9 | Confident | 134 Ų | 134 | 69.7 Ų | 69.7 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.7 | -36.7 | 178.9 | -74.5 | -65 | 0 | 0 | 0 | 112.7 | M588 Y594 L595 K596 | M588-F592 HydrophobicContact CB-CE2 4.5Å; M588-F592 WeakPolarHBondContact O-CD2 3.49Å; M588-F592 PolarHBondContact O-N 3Å; F592-Y594 VanDerWaalsContact C-N 3.34Å; F592-L595 HydrophobicContact CD1-CD1 4.38Å; F592-L595 PolarHBondContact O-N 3.48Å; F592-K596 WeakPolarHBondContact O-CB 3.44Å; F592-K596 PolarHBondContact O-N 2.94Å |
| 593 | S | 87.9 | Confident | 88.1 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 172.3 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | T589 K596 Q597 | T589-S593 VanDerWaalsContact O-CB 3.28Å; T589-S593 WeakPolarHBondContact O-CB 3.42Å; T589-S593 PolarHBondContact O-N 3.5Å; T589-S593 PolarHBondContact O-OG 2.94Å; S593-K596 PolarHBondContact O-N 3.48Å; S593-Q597 WeakPolarHBondContact O-CG 3.28Å; S593-Q597 PolarHBondContact O-N 3.42Å |
| 594 | Y | 89.4 | Confident | 88.3 | Confident | 17 Ų | 17 | 65.2 Ų | 65.2 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.9 | -179.8 | -110.8 | 0 | 0 | 0 | 112.3 | I548 F552 Q590 Y591 F592 K596 Q597 L598 L804 I808 | I548-Y594 HydrophobicContact CG2-CD1 4.44Å; I548-Y594 HydrophobicContact CG2-CE1 4Å; F552-Y594 AromaticContact CD2-CD1 3.69Å; F552-Y594 HydrophobicContact CD2-CD1 3.69Å; F552-Y594 HydrophobicContact CD2-CE1 4.25Å; F552-Y594 HydrophobicContact CD2-CG 4.04Å; F552-Y594 HydrophobicContact CE2-CD1 4.25Å; F552-Y594 HydrophobicContact CE2-CG 4.16Å; Q590-Y594 VanDerWaalsContact O-CB 3.26Å; Q590-Y594 WeakPolarHBondContact O-CB 3.35Å; Q590-Y594 PolarHBondContact O-N 3.08Å; Y591-Y594 WeakPolarHBondContact O-CB 3.26Å; Y591-Y594 PolarHBondContact O-N 3.16Å; F592-Y594 VanDerWaalsContact C-N 3.34Å; Y594-K596 VanDerWaalsContact C-N 3.28Å; Y594-K596 PolarHBondContact O-N 3.08Å; Y594-Q597 PolarHBondContact O-N 2.92Å; Y594-L598 WeakPolarHBondContact O-CB 3.36Å; Y594-L598 PolarHBondContact O-N 2.88Å; Y594-L804 WeakPolarHBondContact OH-CB 3.44Å; Y594-I808 HydrophobicContact CE1-CD1 4.04Å; Y594-I808 WeakPolarHBondContact OH-CD1 3.26Å |
| 595 | L | 90 | Very high | 88.4 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 174.1 | -73.3 | -179.6 | 0 | 0 | 0 | 112.1 | F545 I548 Y591 F592 A599 | F545-L595 HydrophobicContact CE2-CD1 4.11Å; F545-L595 HydrophobicContact CE2-CD2 4.47Å; I548-L595 HydrophobicContact CG2-CD2 3.71Å; Y591-L595 HydrophobicContact CD1-CD1 4.23Å; Y591-L595 HydrophobicContact CD2-CG 4.44Å; Y591-L595 HydrophobicContact CE1-CD1 3.61Å; Y591-L595 HydrophobicContact CE1-CG 4.34Å; Y591-L595 HydrophobicContact CE2-CD1 4.11Å; Y591-L595 HydrophobicContact CE2-CD2 4.17Å; Y591-L595 HydrophobicContact CE2-CG 3.99Å; Y591-L595 WeakPolarHBondContact O-CG 3.4Å; Y591-L595 PolarHBondContact O-N 3.35Å; F592-L595 HydrophobicContact CD1-CD1 4.38Å; F592-L595 PolarHBondContact O-N 3.48Å; L595-A599 WeakPolarHBondContact O-CB 3.43Å; L595-A599 PolarHBondContact O-N 2.99Å |
| 596 | K | 90.3 | Very high | 88.4 | Confident | 144 Ų | 144 | 61.5 Ų | 61.5 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 177.9 | -174.5 | -178.6 | 178.1 | -175.7 | 0 | 111.6 | F592 S593 Y594 A599 H600 | F592-K596 WeakPolarHBondContact O-CB 3.44Å; F592-K596 PolarHBondContact O-N 2.94Å; S593-K596 PolarHBondContact O-N 3.48Å; Y594-K596 VanDerWaalsContact C-N 3.28Å; Y594-K596 PolarHBondContact O-N 3.08Å; K596-A599 PolarHBondContact O-N 3.31Å; K596-H600 PolarHBondContact O-N 3.31Å; K596-H600 PolarHBondContact O-ND1 3.17Å |
| 597 | Q | 87.9 | Confident | 88.2 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 176.3 | -72.5 | 169.8 | 23 | 0 | 0 | 110.6 | S593 Y594 A599 H600 G601 D602 | S593-Q597 WeakPolarHBondContact O-CG 3.28Å; S593-Q597 PolarHBondContact O-N 3.42Å; Y594-Q597 PolarHBondContact O-N 2.92Å; Q597-A599 VanDerWaalsContact C-N 3.28Å; Q597-A599 PolarHBondContact O-N 2.89Å; Q597-H600 CarbonylContact O-C 3.47Å; Q597-H600 WeakPolarHBondContact O-CA 3.24Å; Q597-H600 PolarHBondContact O-N 3.45Å; Q597-G601 PolarHBondContact O-N 3.34Å; Q597-D602 CarbonylContact C-O 3.59Å; Q597-D602 HydrophobicContact CB-CB 4.21Å; Q597-D602 WeakPolarHBondContact CB-O 3.48Å; Q597-D602 PolarHBondContact O-N 3.18Å |
| 598 | L | 88.1 | Confident | 88.1 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 178.5 | -168.4 | 71.7 | 0 | 0 | 0 | 112.3 | I548 Y594 H600 G601 D602 F603 I808 | I548-L598 HydrophobicContact CD1-CD2 3.43Å; I548-L598 VanDerWaalsContact CD1-CD2 3.43Å; I548-L598 HydrophobicContact CG1-CD2 3.88Å; I548-L598 HydrophobicContact CG2-CD2 4.17Å; Y594-L598 WeakPolarHBondContact O-CB 3.36Å; Y594-L598 PolarHBondContact O-N 2.88Å; L598-H600 PolarHBondContact O-N 3.35Å; L598-G601 PolarHBondContact O-N 2.95Å; L598-D602 PolarHBondContact N-O 2.88Å; L598-F603 HydrophobicContact CD1-CD1 3.74Å; L598-F603 HydrophobicContact CD1-CE1 3.45Å; L598-F603 VanDerWaalsContact CD1-CE1 3.45Å; L598-F603 HydrophobicContact CD1-CZ 4.42Å; L598-I808 HydrophobicContact CD1-CD1 4.27Å; L598-I808 HydrophobicContact CD1-CG2 4.38Å; L598-I808 HydrophobicContact CD2-CD1 3.96Å; L598-I808 HydrophobicContact CD2-CG2 4.38Å |
| 599 | A | 87.2 | Confident | 87.9 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 72% | 0.719 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.6 | -22.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L595 K596 Q597 | L595-A599 WeakPolarHBondContact O-CB 3.43Å; L595-A599 PolarHBondContact O-N 2.99Å; K596-A599 PolarHBondContact O-N 3.31Å; Q597-A599 VanDerWaalsContact C-N 3.28Å; Q597-A599 PolarHBondContact O-N 2.89Å |
| 600 | H | 88.7 | Confident | 87.4 | Confident | 149 Ų | 149 | 62 Ų | 62 | 69% | 0.69 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.1 | 172.6 | -66.9 | 76.9 | 0 | 0 | 0 | 112.7 | K596 Q597 L598 D602 | K596-H600 PolarHBondContact O-N 3.31Å; K596-H600 PolarHBondContact O-ND1 3.17Å; Q597-H600 CarbonylContact O-C 3.47Å; Q597-H600 WeakPolarHBondContact O-CA 3.24Å; Q597-H600 PolarHBondContact O-N 3.45Å; L598-H600 PolarHBondContact O-N 3.35Å; H600-D602 VanDerWaalsContact C-N 3.3Å |
| 601 | G | 85.2 | Confident | 87.1 | Confident | 38 Ų | 38 | 69 Ų | 69 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 17.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q597 L598 N615 | Q597-G601 PolarHBondContact O-N 3.34Å; L598-G601 PolarHBondContact O-N 2.95Å; G601-N615 PolarHBondContact O-ND2 3.26Å |
| 602 | D | 89.7 | Confident | 86.9 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | trans | -96.3 | 118 | 175.1 | -175.3 | 2.3 | 0 | 0 | 0 | 109.7 | Q597 L598 H600 G604 | Q597-D602 CarbonylContact C-O 3.59Å; Q597-D602 HydrophobicContact CB-CB 4.21Å; Q597-D602 WeakPolarHBondContact CB-O 3.48Å; Q597-D602 PolarHBondContact O-N 3.18Å; L598-D602 PolarHBondContact N-O 2.88Å; H600-D602 VanDerWaalsContact C-N 3.3Å; D602-G604 VanDerWaalsContact C-N 3.33Å; D602-G604 WeakPolarHBondContact OD1-CA 3.24Å; D602-G604 PolarHBondContact OD1-N 2.75Å | ||
| 603 | F | 87.1 | Confident | 86.9 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | trans | -90.8 | 1.1 | 178.1 | -68.5 | -68.2 | 0 | 0 | 0 | 112.8 | L598 V614 N615 S805 | L598-F603 HydrophobicContact CD1-CD1 3.74Å; L598-F603 HydrophobicContact CD1-CE1 3.45Å; L598-F603 VanDerWaalsContact CD1-CE1 3.45Å; L598-F603 HydrophobicContact CD1-CZ 4.42Å; F603-V614 HydrophobicContact CB-CB 3.76Å; F603-V614 HydrophobicContact CB-CG1 3.78Å; F603-V614 HydrophobicContact CG-CG1 4.49Å; F603-N615 VanDerWaalsContact CB-OD1 3.29Å; F603-N615 WeakPolarHBondContact CB-OD1 3.31Å; F603-N615 WeakPolarHBondContact CD2-OD1 3.32Å; F603-N615 PolarHBondContact N-OD1 3.14Å; F603-S805 WeakPolarHBondContact CB-OG 3.18Å; F603-S805 VanDerWaalsContact CD1-OG 3.29Å; F603-S805 WeakPolarHBondContact CD1-OG 3.49Å | ||
| 604 | G | 86.2 | Confident | 86.9 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | trans | 78.7 | 178 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D602 V614 | D602-G604 VanDerWaalsContact C-N 3.33Å; D602-G604 WeakPolarHBondContact OD1-CA 3.24Å; D602-G604 PolarHBondContact OD1-N 2.75Å; G604-V614 PolarHBondContact O-N 3.37Å | ||
| 605 | P | 86.8 | Confident | 87 | Confident | 62 Ų | 62 | 69 Ų | 69 | 40% | 0.403 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 149.6 | 178.2 | 30.8 | -34.9 | 0 | 0 | 0 | 111.5 | Y581 S801 | Y581-P605 HydrophobicContact CD1-CG 4.05Å; Y581-P605 HydrophobicContact CE1-CB 4.21Å; Y581-P605 HydrophobicContact CE1-CG 3.98Å; P605-S801 VanDerWaalsContact O-CB 3.26Å; P605-S801 WeakPolarHBondContact O-CB 3.28Å; P605-S801 PolarHBondContact O-OG 3.4Å; P605-S801 VanDerWaalsContact O-OG 3.13Å |
| 606 | S | 87.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.014 | 37% | 0.366 | C | S | . | . | trans | -70.6 | 136.3 | 163.8 | 169.8 | 0 | 0 | 0 | 0 | 109.9 | K608 Y609 Y612 D799 | S606-K608 PolarHBondContact O-N 3.06Å; S606-K608 PolarHBondContact OG-N 2.86Å; S606-K608 VanDerWaalsContact OG-N 3.13Å; S606-Y609 WeakPolarHBondContact OG-CD2 3.26Å; S606-Y609 PolarHBondContact OG-N 3.46Å; S606-Y612 PolarHBondContact N-O 2.64Å; S606-D799 WeakPolarHBondContact CB-OD2 3.3Å; S606-D799 PolarHBondContact OG-OD2 3.41Å | ||
| 607 | F | 84.3 | Confident | 87.1 | Confident | 17 Ų | 17 | 65 Ų | 65 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -76.2 | -9.6 | 174.6 | -62.8 | -60.6 | 0 | 0 | 0 | 113.1 | P562 F563 Y581 L583 D799 S801 | P562-F607 HydrophobicContact CB-CB 3.85Å; P562-F607 HydrophobicContact CB-CD2 4.49Å; P562-F607 HydrophobicContact CB-CG 4.29Å; P562-F607 HydrophobicContact CG-CB 4.36Å; P562-F607 HydrophobicContact CG-CD2 4.13Å; P562-F607 HydrophobicContact CG-CG 4.27Å; F563-F607 HydrophobicContact CE1-CB 4.35Å; F563-F607 HydrophobicContact CE2-CD1 4.33Å; F563-F607 HydrophobicContact CZ-CB 3.95Å; F563-F607 AromaticContact CZ-CD1 3.83Å; F563-F607 HydrophobicContact CZ-CD1 3.83Å; F563-F607 HydrophobicContact CZ-CG 4.21Å; Y581-F607 AromaticContact CD1-CD1 3.45Å; Y581-F607 HydrophobicContact CD1-CD1 3.45Å; Y581-F607 VanDerWaalsContact CD1-CD1 3.45Å; Y581-F607 AromaticContact CD1-CE1 3.34Å; Y581-F607 HydrophobicContact CD1-CE1 3.34Å; Y581-F607 HydrophobicContact CD2-CD1 4.03Å; Y581-F607 HydrophobicContact CD2-CE1 4.37Å; Y581-F607 AromaticContact CE1-CD1 3.71Å; Y581-F607 HydrophobicContact CE1-CD1 3.71Å; Y581-F607 HydrophobicContact CE1-CE1 4.04Å; Y581-F607 HydrophobicContact CE2-CD1 4.26Å; Y581-F607 AromaticContact CG-CD1 3.62Å; Y581-F607 HydrophobicContact CG-CD1 3.62Å; Y581-F607 AromaticContact CG-CE1 3.53Å; Y581-F607 HydrophobicContact CG-CE1 3.53Å; L583-F607 HydrophobicContact CD2-CE1 4.43Å; L583-F607 HydrophobicContact CD2-CZ 4.26Å; F607-D799 VanDerWaalsContact CD2-OD1 3.31Å; F607-D799 WeakPolarHBondContact CD2-OD1 3.41Å; F607-D799 PolarHBondContact N-OD1 3.34Å; F607-D799 VanDerWaalsContact N-OD1 3.14Å; F607-D799 PolarHBondContact N-OD2 2.88Å; F607-S801 WeakPolarHBondContact CE2-OG 3.4Å; F607-S801 VanDerWaalsContact CZ-OG 3.28Å; F607-S801 WeakPolarHBondContact CZ-OG 3.45Å |
| 608 | K | 84 | Confident | 87.1 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -122.5 | -46.7 | -171.4 | -72.3 | -78.4 | -177.9 | -172.2 | 0 | 113.5 | P562 S606 K610 N797 D799 | P562-K608 WeakPolarHBondContact O-CE 3.47Å; P562-K608 PolarHBondContact O-NZ 3.36Å; S606-K608 PolarHBondContact O-N 3.06Å; S606-K608 PolarHBondContact OG-N 2.86Å; S606-K608 VanDerWaalsContact OG-N 3.13Å; K608-K610 PolarHBondContact O-N 2.93Å; K608-K610 VanDerWaalsContact O-N 3.12Å; K608-N797 HydrophobicContact CB-CB 4.48Å; K608-N797 HydrophobicContact CD-CB 3.97Å; K608-N797 WeakPolarHBondContact CE-O 3.22Å; K608-N797 HydrophobicContact CG-CB 3.75Å; K608-D799 HydrophobicContact CG-CB 4.2Å |
| 609 | Y | 84.2 | Confident | 87.2 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -81.7 | 88.7 | 174.5 | -59.7 | -79.9 | 0 | 0 | 0 | 109 | S606 D611 Y612 L617 N793 L802 | S606-Y609 WeakPolarHBondContact OG-CD2 3.26Å; S606-Y609 PolarHBondContact OG-N 3.46Å; Y609-D611 PolarHBondContact O-N 3.3Å; Y609-Y612 PolarHBondContact O-N 2.93Å; Y609-L617 HydrophobicContact CD2-CD1 3.55Å; Y609-L617 HydrophobicContact CD2-CD2 4.37Å; Y609-L617 HydrophobicContact CE2-CD1 4.21Å; Y609-L617 HydrophobicContact CG-CD1 4.09Å; Y609-L617 HydrophobicContact CG-CD2 4.28Å; Y609-N793 PolarHBondContact OH-ND2 3.06Å; Y609-L802 HydrophobicContact CE2-CD2 4.14Å |
| 610 | K | 79.4 | Confident | 87.3 | Confident | 164 Ų | 164 | 63.7 Ų | 63.7 | 71% | 0.713 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 139.3 | 177.5 | -64.1 | -178 | -178.3 | 178.7 | 0 | 110 | K608 Y612 | K608-K610 PolarHBondContact O-N 2.93Å; K608-K610 VanDerWaalsContact O-N 3.12Å; K610-Y612 WeakPolarHBondContact O-CD2 3.25Å; K610-Y612 PolarHBondContact O-N 3.18Å |
| 611 | D | 83.3 | Confident | 87.4 | Confident | 167 Ų | 167 | 57 Ų | 57 | 89% | 0.893 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 4.6 | 178.6 | -45 | -45 | 0 | 0 | 0 | 115.9 | Y609 | Y609-D611 PolarHBondContact O-N 3.3Š|
| 612 | Y | 86.1 | Confident | 87.6 | Confident | 136 Ų | 136 | 58.4 Ų | 58.4 | 53% | 0.533 | 30% | 0.304 | S | S | . | . | trans | -111.3 | 134.9 | 172.3 | -70.2 | -92.7 | 0 | 0 | 0 | 111.5 | S606 Y609 K610 D616 L617 | S606-Y612 PolarHBondContact N-O 2.64Å; Y609-Y612 PolarHBondContact O-N 2.93Å; K610-Y612 WeakPolarHBondContact O-CD2 3.25Å; K610-Y612 PolarHBondContact O-N 3.18Å; Y612-D616 HydrophobicContact CD1-CB 4.04Å; Y612-L617 HydrophobicContact CD1-CD2 4.33Å; Y612-L617 HydrophobicContact CG-CD2 4.27Å | ||
| 613 | S | 90.6 | Very high | 87.6 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 22% | 0.217 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 157.6 | 162.4 | 71.2 | 0 | 0 | 0 | 0 | 110.3 | N615 D616 L617 | S613-N615 PolarHBondContact O-N 2.93Å; S613-N615 WeakPolarHBondContact OG-CB 3.08Å; S613-N615 PolarHBondContact OG-N 3.47Å; S613-D616 WeakPolarHBondContact CB-OD2 3.29Å; S613-D616 PolarHBondContact N-OD2 2.95Å; S613-D616 PolarHBondContact O-N 3.3Å; S613-D616 VanDerWaalsContact O-N 3.11Å; S613-D616 PolarHBondContact OG-N 3.1Å; S613-D616 VanDerWaalsContact OG-N 3.1Å; S613-D616 PolarHBondContact OG-OD2 3.29Å; S613-L617 PolarHBondContact O-N 2.96Å |
| 614 | V | 89.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -32.3 | 171.5 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | F603 G604 D616 L617 V618 L802 | F603-V614 HydrophobicContact CB-CB 3.76Å; F603-V614 HydrophobicContact CB-CG1 3.78Å; F603-V614 HydrophobicContact CG-CG1 4.49Å; G604-V614 PolarHBondContact O-N 3.37Å; V614-D616 VanDerWaalsContact C-N 3.33Å; V614-D616 PolarHBondContact O-N 3.01Å; V614-L617 PolarHBondContact O-N 3.42Å; V614-V618 HydrophobicContact CG1-CG2 4.04Å; V614-V618 WeakPolarHBondContact O-CB 3.47Å; V614-V618 VanDerWaalsContact O-CG2 3.26Å; V614-V618 WeakPolarHBondContact O-CG2 3.28Å; V614-V618 PolarHBondContact O-N 3.43Å; V614-L802 HydrophobicContact CG1-CD1 3.84Å; V614-L802 HydrophobicContact CG2-CB 4.33Å; V614-L802 HydrophobicContact CG2-CD1 4.47Å |
| 615 | N | 90.4 | Very high | 88 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.5 | -44.2 | 171.5 | -68.3 | 64.5 | 0 | 0 | 0 | 112.3 | G601 F603 S613 V618 A619 | G601-N615 PolarHBondContact O-ND2 3.26Å; F603-N615 VanDerWaalsContact CB-OD1 3.29Å; F603-N615 WeakPolarHBondContact CB-OD1 3.31Å; F603-N615 WeakPolarHBondContact CD2-OD1 3.32Å; F603-N615 PolarHBondContact N-OD1 3.14Å; S613-N615 PolarHBondContact O-N 2.93Å; S613-N615 WeakPolarHBondContact OG-CB 3.08Å; S613-N615 PolarHBondContact OG-N 3.47Å; N615-V618 PolarHBondContact O-N 3.46Å; N615-A619 WeakPolarHBondContact O-CB 3.38Å; N615-A619 PolarHBondContact O-N 3.38Å |
| 616 | D | 91.5 | Very high | 88.2 | Confident | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | -179.9 | -58.4 | -45.7 | 0 | 0 | 0 | 111.6 | Y612 S613 V614 S620 | Y612-D616 HydrophobicContact CD1-CB 4.04Å; S613-D616 WeakPolarHBondContact CB-OD2 3.29Å; S613-D616 PolarHBondContact N-OD2 2.95Å; S613-D616 PolarHBondContact O-N 3.3Å; S613-D616 VanDerWaalsContact O-N 3.11Å; S613-D616 PolarHBondContact OG-N 3.1Å; S613-D616 VanDerWaalsContact OG-N 3.1Å; S613-D616 PolarHBondContact OG-OD2 3.29Å; V614-D616 VanDerWaalsContact C-N 3.33Å; V614-D616 PolarHBondContact O-N 3.01Å; D616-S620 PolarHBondContact O-N 2.97Å; D616-S620 VanDerWaalsContact O-N 3.09Å; D616-S620 PolarHBondContact O-OG 2.87Å |
| 617 | L | 90.8 | Very high | 88.4 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 176.6 | -62.9 | 175.4 | 0 | 0 | 0 | 111 | Y609 Y612 S613 V614 S620 S621 L790 L802 | Y609-L617 HydrophobicContact CD2-CD1 3.55Å; Y609-L617 HydrophobicContact CD2-CD2 4.37Å; Y609-L617 HydrophobicContact CE2-CD1 4.21Å; Y609-L617 HydrophobicContact CG-CD1 4.09Å; Y609-L617 HydrophobicContact CG-CD2 4.28Å; Y612-L617 HydrophobicContact CD1-CD2 4.33Å; Y612-L617 HydrophobicContact CG-CD2 4.27Å; S613-L617 PolarHBondContact O-N 2.96Å; V614-L617 PolarHBondContact O-N 3.42Å; L617-S620 PolarHBondContact O-N 3.46Å; L617-S620 PolarHBondContact O-OG 2.94Å; L617-S621 WeakPolarHBondContact O-CB 3.48Å; L617-S621 PolarHBondContact O-N 2.78Å; L617-S621 VanDerWaalsContact O-N 3.09Å; L617-S621 PolarHBondContact O-OG 3.2Å; L617-L790 HydrophobicContact CB-CD1 3.98Å; L617-L790 HydrophobicContact CB-CD2 4.22Å; L617-L790 WeakPolarHBondContact O-CD1 3.32Å; L617-L802 HydrophobicContact CD1-CD1 4.23Å; L617-L802 HydrophobicContact CD1-CD2 4.42Å |
| 618 | V | 89.3 | Confident | 88.7 | Confident | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 111 | V614 N615 S620 S621 F622 L806 L809 | V614-V618 HydrophobicContact CG1-CG2 4.04Å; V614-V618 WeakPolarHBondContact O-CB 3.47Å; V614-V618 VanDerWaalsContact O-CG2 3.26Å; V614-V618 WeakPolarHBondContact O-CG2 3.28Å; V614-V618 PolarHBondContact O-N 3.43Å; N615-V618 PolarHBondContact O-N 3.46Å; V618-S620 VanDerWaalsContact C-N 3.29Å; V618-S620 PolarHBondContact O-N 3.01Å; V618-S621 PolarHBondContact O-N 3.27Å; V618-F622 HydrophobicContact CG1-CB 4.25Å; V618-F622 WeakPolarHBondContact O-CB 3.24Å; V618-F622 PolarHBondContact O-N 2.94Å; V618-L806 HydrophobicContact CG2-CD2 3.73Å; V618-L809 HydrophobicContact CG1-CD2 3.9Å |
| 619 | A | 90.2 | Very high | 89.1 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.9 | -33.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N615 P623 | N615-A619 WeakPolarHBondContact O-CB 3.38Å; N615-A619 PolarHBondContact O-N 3.38Å; A619-P623 WeakPolarHBondContact O-CD 3.35Å; A619-P623 WeakPolarHBondContact O-CG 3.47Å |
| 620 | S | 89.3 | Confident | 89.4 | Confident | 76 Ų | 76 | 53 Ų | 53 | 53% | 0.531 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -76.7 | -34.4 | 175.5 | 53.8 | 0 | 0 | 0 | 0 | 113 | D616 L617 V618 | D616-S620 PolarHBondContact O-N 2.97Å; D616-S620 VanDerWaalsContact O-N 3.09Å; D616-S620 PolarHBondContact O-OG 2.87Å; L617-S620 PolarHBondContact O-N 3.46Å; L617-S620 PolarHBondContact O-OG 2.94Å; V618-S620 VanDerWaalsContact C-N 3.29Å; V618-S620 PolarHBondContact O-N 3.01Å |
| 621 | S | 89.5 | Confident | 90.1 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -96.5 | -33.5 | -171.9 | -55.9 | 0 | 0 | 0 | 0 | 114.3 | L617 V618 V624 S625 L790 | L617-S621 WeakPolarHBondContact O-CB 3.48Å; L617-S621 PolarHBondContact O-N 2.78Å; L617-S621 VanDerWaalsContact O-N 3.09Å; L617-S621 PolarHBondContact O-OG 3.2Å; V618-S621 PolarHBondContact O-N 3.27Å; S621-V624 WeakPolarHBondContact O-CB 3.23Å; S621-V624 PolarHBondContact O-N 2.97Å; S621-V624 VanDerWaalsContact O-N 3.13Å; S621-S625 PolarHBondContact O-N 3.05Å; S621-L790 VanDerWaalsContact CB-CD1 3.45Å; S621-L790 WeakPolarHBondContact OG-CD1 3.28Å |
| 622 | F | 89.3 | Confident | 90.6 | Very high | 66 Ų | 66 | 38.7 Ų | 38.7 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.4 | -44.9 | -179.6 | -179.4 | -105.9 | 0 | 0 | 0 | 112.9 | V618 V624 S625 A626 I787 L809 L813 | V618-F622 HydrophobicContact CG1-CB 4.25Å; V618-F622 WeakPolarHBondContact O-CB 3.24Å; V618-F622 PolarHBondContact O-N 2.94Å; F622-V624 PolarHBondContact O-N 2.92Å; F622-S625 PolarHBondContact O-N 3.32Å; F622-A626 HydrophobicContact CE1-CB 4.23Å; F622-A626 HydrophobicContact CZ-CB 4.28Å; F622-A626 VanDerWaalsContact O-CB 3.23Å; F622-A626 WeakPolarHBondContact O-CB 3.48Å; F622-A626 PolarHBondContact O-N 2.89Å; F622-I787 HydrophobicContact CB-CD1 3.69Å; F622-I787 HydrophobicContact CB-CG1 4.38Å; F622-I787 HydrophobicContact CD2-CD1 3.46Å; F622-I787 VanDerWaalsContact CD2-CD1 3.46Å; F622-I787 HydrophobicContact CG-CD1 4.05Å; F622-L809 HydrophobicContact CD2-CD2 4.17Å; F622-L813 HydrophobicContact CE2-CD1 3.93Å |
| 623 | P | 90.3 | Very high | 91 | Very high | 71 Ų | 71 | 33 Ų | 33 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.3 | -30.4 | 179 | -24.6 | 36.2 | 0 | 0 | 0 | 113.4 | A619 K627 | A619-P623 WeakPolarHBondContact O-CD 3.35Å; A619-P623 WeakPolarHBondContact O-CG 3.47Å; P623-K627 WeakPolarHBondContact O-CB 3.12Å; P623-K627 PolarHBondContact O-N 2.86Å |
| 624 | V | 91.4 | Very high | 91.2 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -54.4 | 177.5 | -180 | 0 | 0 | 0 | 0 | 109.9 | S621 F622 A626 K627 L628 W694 P785 | S621-V624 WeakPolarHBondContact O-CB 3.23Å; S621-V624 PolarHBondContact O-N 2.97Å; S621-V624 VanDerWaalsContact O-N 3.13Å; F622-V624 PolarHBondContact O-N 2.92Å; V624-A626 PolarHBondContact O-N 3.35Å; V624-K627 PolarHBondContact O-N 3.5Å; V624-L628 WeakPolarHBondContact O-CB 3.22Å; V624-L628 PolarHBondContact O-N 2.75Å; V624-W694 HydrophobicContact CB-CH2 4.48Å; V624-W694 HydrophobicContact CB-CZ2 4.14Å; V624-W694 HydrophobicContact CG1-CD2 3.84Å; V624-W694 HydrophobicContact CG1-CE3 3.88Å; V624-W694 HydrophobicContact CG1-CG 4.47Å; V624-W694 HydrophobicContact CG1-CH2 3.94Å; V624-W694 HydrophobicContact CG1-CZ2 3.91Å; V624-W694 HydrophobicContact CG1-CZ3 3.93Å; V624-W694 HydrophobicContact CG2-CD2 4.44Å; V624-W694 HydrophobicContact CG2-CZ2 4.02Å; V624-P785 HydrophobicContact CG2-CG 4.37Å |
| 625 | S | 90.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 178.3 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | S621 F622 G629 E779 G786 I787 | S621-S625 PolarHBondContact O-N 3.05Å; F622-S625 PolarHBondContact O-N 3.32Å; S625-G629 WeakPolarHBondContact O-CA 3.27Å; S625-G629 PolarHBondContact O-N 2.88Å; S625-E779 WeakPolarHBondContact CB-OE1 3.47Å; S625-E779 PolarHBondContact OG-OE1 2.8Å; S625-G786 WeakPolarHBondContact OG-CA 3.13Å; S625-I787 PolarHBondContact OG-N 2.82Å |
| 626 | A | 89.8 | Confident | 91.6 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F622 V624 A630 | F622-A626 HydrophobicContact CE1-CB 4.23Å; F622-A626 HydrophobicContact CZ-CB 4.28Å; F622-A626 VanDerWaalsContact O-CB 3.23Å; F622-A626 WeakPolarHBondContact O-CB 3.48Å; F622-A626 PolarHBondContact O-N 2.89Å; V624-A626 PolarHBondContact O-N 3.35Å; A626-A630 WeakPolarHBondContact O-CB 3.4Å; A626-A630 PolarHBondContact O-N 3.45Å |
| 627 | K | 91.7 | Very high | 91.7 | Very high | 101 Ų | 101 | 34.5 Ų | 34.5 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 178 | -176.2 | 177.3 | 173.8 | -174.6 | 0 | 111.6 | P623 V624 A631 W694 G697 M702 | P623-K627 WeakPolarHBondContact O-CB 3.12Å; P623-K627 PolarHBondContact O-N 2.86Å; V624-K627 PolarHBondContact O-N 3.5Å; K627-A631 WeakPolarHBondContact O-CB 3.2Å; K627-A631 PolarHBondContact O-N 3.24Å; K627-A631 VanDerWaalsContact O-N 3.17Å; K627-W694 HydrophobicContact CB-CH2 4.27Å; K627-W694 HydrophobicContact CD-CH2 3.97Å; K627-W694 HydrophobicContact CD-CZ2 4.1Å; K627-W694 HydrophobicContact CG-CH2 4.33Å; K627-G697 PolarHBondContact NZ-O 2.94Å; K627-M702 HydrophobicContact CD-SD 4.45Å; K627-M702 HydrophobicContact CG-CE 3.99Å; K627-M702 HydrophobicContact CG-SD 4.5Å |
| 628 | L | 92 | Very high | 92 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 175.3 | 176.9 | 64 | 0 | 0 | 0 | 111.3 | V624 A631 A632 M702 P705 M706 L709 L784 | V624-L628 WeakPolarHBondContact O-CB 3.22Å; V624-L628 PolarHBondContact O-N 2.75Å; L628-A631 PolarHBondContact O-N 3.4Å; L628-A632 WeakPolarHBondContact O-CB 3.49Å; L628-A632 PolarHBondContact O-N 3.27Å; L628-M702 HydrophobicContact CD1-CE 4.48Å; L628-P705 HydrophobicContact CD1-CB 3.85Å; L628-P705 HydrophobicContact CD2-CB 4.11Å; L628-M706 HydrophobicContact CD1-CB 4.11Å; L628-L709 HydrophobicContact CD2-CD2 4.38Å; L628-L709 HydrophobicContact CG-CD2 4.26Å; L628-L784 HydrophobicContact CD2-CD1 3.64Å |
| 629 | G | 91.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S625 A631 A632 F633 I771 | S625-G629 WeakPolarHBondContact O-CA 3.27Å; S625-G629 PolarHBondContact O-N 2.88Å; G629-A631 PolarHBondContact O-N 2.87Å; G629-A632 PolarHBondContact O-N 3.22Å; G629-F633 VanDerWaalsContact O-CB 3.26Å; G629-F633 WeakPolarHBondContact O-CB 3.5Å; G629-F633 PolarHBondContact O-N 2.91Å; G629-I771 VanDerWaalsContact CA-CG2 3.47Å; G629-I771 VanDerWaalsContact O-CG2 3.24Å; G629-I771 WeakPolarHBondContact O-CG2 3.42Å |
| 630 | A | 91.6 | Very high | 92.5 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A626 F633 F634 | A626-A630 WeakPolarHBondContact O-CB 3.4Å; A626-A630 PolarHBondContact O-N 3.45Å; A630-F633 PolarHBondContact O-N 3.45Å; A630-F634 WeakPolarHBondContact O-CD2 3.28Å; A630-F634 PolarHBondContact O-N 3.34Å |
| 631 | A | 93.1 | Very high | 92.7 | Very high | 29 Ų | 29 | 36 Ų | 36 | 24% | 0.24 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | K627 L628 G629 F633 F634 L635 M702 M706 | K627-A631 WeakPolarHBondContact O-CB 3.2Å; K627-A631 PolarHBondContact O-N 3.24Å; K627-A631 VanDerWaalsContact O-N 3.17Å; L628-A631 PolarHBondContact O-N 3.4Å; G629-A631 PolarHBondContact O-N 2.87Å; A631-F633 PolarHBondContact O-N 2.85Å; A631-F634 PolarHBondContact O-N 2.84Å; A631-L635 WeakPolarHBondContact O-CB 3.37Å; A631-L635 PolarHBondContact O-N 3.22Å; A631-M702 HydrophobicContact CB-CE 4.09Å; A631-M706 HydrophobicContact CB-CG 4.33Å; A631-M706 HydrophobicContact CB-SD 3.73Å |
| 632 | A | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L628 G629 L635 A636 M706 L709 S710 I771 | L628-A632 WeakPolarHBondContact O-CB 3.49Å; L628-A632 PolarHBondContact O-N 3.27Å; G629-A632 PolarHBondContact O-N 3.22Å; A632-L635 PolarHBondContact O-N 3.41Å; A632-A636 VanDerWaalsContact O-CB 3.24Å; A632-A636 WeakPolarHBondContact O-CB 3.4Å; A632-A636 PolarHBondContact O-N 2.91Å; A632-M706 HydrophobicContact CB-CG 4.1Å; A632-L709 HydrophobicContact CB-CB 4.15Å; A632-L709 HydrophobicContact CB-CD2 3.89Å; A632-L709 HydrophobicContact CB-CG 4.11Å; A632-S710 WeakPolarHBondContact O-CB 3.37Å; A632-I771 HydrophobicContact CB-CG2 3.95Å |
| 633 | F | 94 | Very high | 93.2 | Very high | 17 Ų | 17 | 36 Ų | 36 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -48.3 | 176.2 | 175.9 | -99.1 | 0 | 0 | 0 | 112.1 | G629 A630 A631 L635 A636 V637 M764 F768 I771 | G629-F633 VanDerWaalsContact O-CB 3.26Å; G629-F633 WeakPolarHBondContact O-CB 3.5Å; G629-F633 PolarHBondContact O-N 2.91Å; A630-F633 PolarHBondContact O-N 3.45Å; A631-F633 PolarHBondContact O-N 2.85Å; F633-L635 VanDerWaalsContact C-N 3.29Å; F633-L635 PolarHBondContact O-N 2.78Å; F633-A636 WeakPolarHBondContact O-CB 3.06Å; F633-A636 PolarHBondContact O-N 3.1Å; F633-A636 VanDerWaalsContact O-N 3.11Å; F633-V637 HydrophobicContact CD1-CG2 4.21Å; F633-V637 HydrophobicContact CD2-CG2 4.33Å; F633-V637 HydrophobicContact CE1-CG2 3.89Å; F633-V637 HydrophobicContact CE2-CG2 4.02Å; F633-V637 HydrophobicContact CG-CG2 4.44Å; F633-V637 HydrophobicContact CZ-CG2 3.81Å; F633-V637 WeakPolarHBondContact O-CG2 3.26Å; F633-V637 PolarHBondContact O-N 2.91Å; F633-M764 HydrophobicContact CE1-CE 3.86Å; F633-M764 HydrophobicContact CE2-CB 4.11Å; F633-M764 HydrophobicContact CE2-CG 4.14Å; F633-M764 WeakPolarHBondContact CE2-O 3.49Å; F633-M764 HydrophobicContact CZ-CB 3.9Å; F633-M764 HydrophobicContact CZ-CE 3.46Å; F633-M764 VanDerWaalsContact CZ-CE 3.46Å; F633-M764 HydrophobicContact CZ-CG 3.88Å; F633-F768 HydrophobicContact CB-CD2 3.91Å; F633-F768 HydrophobicContact CB-CE2 4.26Å; F633-F768 AromaticContact CD1-CD2 3.61Å; F633-F768 HydrophobicContact CD1-CD2 3.61Å; F633-F768 HydrophobicContact CD1-CE2 4.06Å; F633-F768 HydrophobicContact CD2-CB 3.91Å; F633-F768 AromaticContact CD2-CD2 3.7Å; F633-F768 HydrophobicContact CD2-CD2 3.7Å; F633-F768 HydrophobicContact CD2-CG 4.31Å; F633-F768 AromaticContact CE1-CD2 3.92Å; F633-F768 HydrophobicContact CE1-CD2 3.92Å; F633-F768 HydrophobicContact CE2-CB 3.75Å; F633-F768 AromaticContact CE2-CD2 4Å; F633-F768 HydrophobicContact CE2-CD2 4Å; F633-F768 HydrophobicContact CE2-CG 4.4Å; F633-F768 AromaticContact CG-CD2 3.47Å; F633-F768 HydrophobicContact CG-CD2 3.47Å; F633-F768 VanDerWaalsContact CG-CD2 3.47Å; F633-F768 HydrophobicContact CG-CE2 4.13Å; F633-F768 HydrophobicContact CG-CG 4.48Å; F633-F768 HydrophobicContact CZ-CB 4.27Å; F633-F768 HydrophobicContact CZ-CD2 4.08Å; F633-I771 HydrophobicContact CB-CD1 3.88Å; F633-I771 HydrophobicContact CD2-CD1 4Å; F633-I771 HydrophobicContact CG-CD1 4.45Å |
| 634 | F | 94.6 | Very high | 93.4 | Very high | 125 Ų | 125 | 32.6 Ų | 32.6 | 55% | 0.548 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.4 | -76.3 | -63.1 | 0 | 0 | 0 | 111.4 | A630 A631 A636 V637 I638 | A630-F634 WeakPolarHBondContact O-CD2 3.28Å; A630-F634 PolarHBondContact O-N 3.34Å; A631-F634 PolarHBondContact O-N 2.84Å; F634-A636 VanDerWaalsContact C-N 3.32Å; F634-A636 PolarHBondContact O-N 2.94Å; F634-V637 PolarHBondContact O-N 3.32Å; F634-I638 WeakPolarHBondContact O-CB 3.47Å; F634-I638 WeakPolarHBondContact O-CD1 3.43Å; F634-I638 WeakPolarHBondContact O-CG1 3.39Å; F634-I638 PolarHBondContact O-N 2.9Å |
| 635 | L | 94.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 173.3 | -173.7 | 65.7 | 0 | 0 | 0 | 111.3 | A631 A632 F633 I638 L639 M706 V707 S710 | A631-L635 WeakPolarHBondContact O-CB 3.37Å; A631-L635 PolarHBondContact O-N 3.22Å; A632-L635 PolarHBondContact O-N 3.41Å; F633-L635 VanDerWaalsContact C-N 3.29Å; F633-L635 PolarHBondContact O-N 2.78Å; L635-I638 PolarHBondContact O-N 2.97Å; L635-L639 HydrophobicContact CD1-CD1 3.62Å; L635-L639 HydrophobicContact CD1-CG 3.97Å; L635-L639 HydrophobicContact CG-CD1 3.9Å; L635-L639 HydrophobicContact CG-CG 4.43Å; L635-L639 WeakPolarHBondContact O-CB 3.39Å; L635-L639 WeakPolarHBondContact O-CG 3.28Å; L635-L639 PolarHBondContact O-N 2.96Å; L635-M706 HydrophobicContact CD2-CE 4Å; L635-M706 HydrophobicContact CD2-CG 3.86Å; L635-M706 HydrophobicContact CD2-SD 4.13Å; L635-V707 HydrophobicContact CD2-CG2 4.38Å; L635-S710 WeakPolarHBondContact CD2-OG 3.43Å |
| 636 | A | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A632 F633 F634 G640 I714 I717 I771 | A632-A636 VanDerWaalsContact O-CB 3.24Å; A632-A636 WeakPolarHBondContact O-CB 3.4Å; A632-A636 PolarHBondContact O-N 2.91Å; F633-A636 WeakPolarHBondContact O-CB 3.06Å; F633-A636 PolarHBondContact O-N 3.1Å; F633-A636 VanDerWaalsContact O-N 3.11Å; F634-A636 VanDerWaalsContact C-N 3.32Å; F634-A636 PolarHBondContact O-N 2.94Å; A636-G640 VanDerWaalsContact O-CA 3.26Å; A636-G640 WeakPolarHBondContact O-CA 3.23Å; A636-G640 PolarHBondContact O-N 2.88Å; A636-I714 HydrophobicContact CB-CG1 4.14Å; A636-I717 HydrophobicContact CB-CD1 4.13Å; A636-I771 HydrophobicContact CB-CD1 4.47Å |
| 637 | V | 94.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 17% | 0.17 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.1 | -48.8 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | F633 F634 V641 I717 M764 | F633-V637 HydrophobicContact CD1-CG2 4.21Å; F633-V637 HydrophobicContact CD2-CG2 4.33Å; F633-V637 HydrophobicContact CE1-CG2 3.89Å; F633-V637 HydrophobicContact CE2-CG2 4.02Å; F633-V637 HydrophobicContact CG-CG2 4.44Å; F633-V637 HydrophobicContact CZ-CG2 3.81Å; F633-V637 WeakPolarHBondContact O-CG2 3.26Å; F633-V637 PolarHBondContact O-N 2.91Å; F634-V637 PolarHBondContact O-N 3.32Å; V637-V641 HydrophobicContact CG1-CG2 4.21Å; V637-V641 WeakPolarHBondContact O-CB 3.43Å; V637-V641 WeakPolarHBondContact O-CG2 3.5Å; V637-V641 PolarHBondContact O-N 3.24Å; V637-I717 HydrophobicContact CG2-CD1 3.93Å; V637-M764 HydrophobicContact CG1-CE 4.41Å; V637-M764 HydrophobicContact CG2-CE 3.98Å; V637-M764 HydrophobicContact CG2-CG 4.29Å; V637-M764 HydrophobicContact CG2-SD 4.38Å |
| 638 | I | 95.7 | Very high | 93.8 | Very high | 105 Ų | 105 | 31.3 Ų | 31.3 | 54% | 0.538 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.7 | -52.2 | -177.7 | -69.3 | 167.2 | 0 | 0 | 0 | 110.8 | F634 L635 S642 | F634-I638 WeakPolarHBondContact O-CB 3.47Å; F634-I638 WeakPolarHBondContact O-CD1 3.43Å; F634-I638 WeakPolarHBondContact O-CG1 3.39Å; F634-I638 PolarHBondContact O-N 2.9Å; L635-I638 PolarHBondContact O-N 2.97Å; I638-S642 WeakPolarHBondContact O-CB 3.16Å; I638-S642 PolarHBondContact O-N 3.24Å; I638-S642 VanDerWaalsContact O-N 3.09Å; I638-S642 PolarHBondContact O-OG 3.11Å |
| 639 | L | 95.1 | Very high | 93.9 | Very high | 80 Ų | 80 | 34.5 Ų | 34.5 | 42% | 0.419 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.9 | -40 | -178.2 | -66.2 | -177.4 | 0 | 0 | 0 | 111.7 | L635 S642 A643 I714 | L635-L639 HydrophobicContact CD1-CD1 3.62Å; L635-L639 HydrophobicContact CD1-CG 3.97Å; L635-L639 HydrophobicContact CG-CD1 3.9Å; L635-L639 HydrophobicContact CG-CG 4.43Å; L635-L639 WeakPolarHBondContact O-CB 3.39Å; L635-L639 WeakPolarHBondContact O-CG 3.28Å; L635-L639 PolarHBondContact O-N 2.96Å; L639-S642 PolarHBondContact O-N 3.34Å; L639-A643 WeakPolarHBondContact O-CB 3.4Å; L639-A643 PolarHBondContact O-N 2.86Å; L639-I714 HydrophobicContact CB-CD1 4.01Å; L639-I714 HydrophobicContact CB-CG1 4.04Å; L639-I714 HydrophobicContact CB-CG2 4.13Å; L639-I714 HydrophobicContact CD1-CD1 3.72Å; L639-I714 HydrophobicContact CG-CD1 4.48Å |
| 640 | G | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -53.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A636 S642 A643 G644 I714 A718 | A636-G640 VanDerWaalsContact O-CA 3.26Å; A636-G640 WeakPolarHBondContact O-CA 3.23Å; A636-G640 PolarHBondContact O-N 2.88Å; G640-S642 VanDerWaalsContact C-N 3.32Å; G640-S642 PolarHBondContact O-N 3.43Å; G640-A643 PolarHBondContact O-N 3.22Å; G640-G644 PolarHBondContact O-N 3.48Å; G640-I714 WeakPolarHBondContact CA-O 3.49Å; G640-A718 WeakPolarHBondContact O-CA 3.41Å; G640-A718 WeakPolarHBondContact O-CB 3.3Å |
| 641 | V | 95.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 178.4 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | V637 G644 V645 I717 T721 L753 L757 V760 | V637-V641 HydrophobicContact CG1-CG2 4.21Å; V637-V641 WeakPolarHBondContact O-CB 3.43Å; V637-V641 WeakPolarHBondContact O-CG2 3.5Å; V637-V641 PolarHBondContact O-N 3.24Å; V641-G644 PolarHBondContact O-N 3.39Å; V641-V645 HydrophobicContact CG1-CG2 4.25Å; V641-V645 WeakPolarHBondContact O-CB 3.23Å; V641-V645 VanDerWaalsContact O-CG2 3.24Å; V641-V645 WeakPolarHBondContact O-CG2 3.12Å; V641-V645 PolarHBondContact O-N 3.39Å; V641-I717 HydrophobicContact CG2-CG2 3.78Å; V641-T721 HydrophobicContact CB-CG2 4.45Å; V641-T721 HydrophobicContact CG1-CG2 4.09Å; V641-L753 HydrophobicContact CG1-CD1 3.94Å; V641-L757 HydrophobicContact CG1-CD2 4.07Å; V641-L757 HydrophobicContact CG2-CD2 3.77Å; V641-V760 HydrophobicContact CG2-CG1 4.33Å |
| 642 | S | 94.7 | Very high | 93.3 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -47.8 | 178.3 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | I638 L639 G640 G644 V645 I646 | I638-S642 WeakPolarHBondContact O-CB 3.16Å; I638-S642 PolarHBondContact O-N 3.24Å; I638-S642 VanDerWaalsContact O-N 3.09Å; I638-S642 PolarHBondContact O-OG 3.11Å; L639-S642 PolarHBondContact O-N 3.34Å; G640-S642 VanDerWaalsContact C-N 3.32Å; G640-S642 PolarHBondContact O-N 3.43Å; S642-G644 PolarHBondContact O-N 2.7Å; S642-V645 PolarHBondContact O-N 2.59Å; S642-I646 WeakPolarHBondContact O-CD1 3.3Å; S642-I646 VanDerWaalsContact O-CG1 3.25Å; S642-I646 WeakPolarHBondContact O-CG1 3.28Å; S642-I646 PolarHBondContact O-N 2.88Å |
| 643 | A | 94.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L639 G640 I646 A647 V659 A718 | L639-A643 WeakPolarHBondContact O-CB 3.4Å; L639-A643 PolarHBondContact O-N 2.86Å; G640-A643 PolarHBondContact O-N 3.22Å; A643-I646 PolarHBondContact O-N 3.45Å; A643-A647 VanDerWaalsContact O-CB 3.31Å; A643-A647 WeakPolarHBondContact O-CB 3.29Å; A643-A647 PolarHBondContact O-N 2.88Å; A643-V659 HydrophobicContact CB-CG1 3.71Å; A643-V659 WeakPolarHBondContact O-CG1 3.44Å; A643-A718 HydrophobicContact CB-CB 3.9Å |
| 644 | G | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G640 V641 S642 A647 A648 A718 R722 | G640-G644 PolarHBondContact O-N 3.48Å; V641-G644 PolarHBondContact O-N 3.39Å; S642-G644 PolarHBondContact O-N 2.7Å; G644-A647 PolarHBondContact O-N 2.79Å; G644-A648 VanDerWaalsContact O-CB 3.3Å; G644-A648 WeakPolarHBondContact O-CB 3.3Å; G644-A648 PolarHBondContact O-N 2.88Å; G644-A718 VanDerWaalsContact CA-O 3.26Å; G644-A718 WeakPolarHBondContact CA-O 3.3Å; G644-R722 WeakPolarHBondContact O-CA 3.11Å |
| 645 | V | 94.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | V641 S642 A647 A648 L649 T721 M725 I748 L753 | V641-V645 HydrophobicContact CG1-CG2 4.25Å; V641-V645 WeakPolarHBondContact O-CB 3.23Å; V641-V645 VanDerWaalsContact O-CG2 3.24Å; V641-V645 WeakPolarHBondContact O-CG2 3.12Å; V641-V645 PolarHBondContact O-N 3.39Å; S642-V645 PolarHBondContact O-N 2.59Å; V645-A647 VanDerWaalsContact C-N 3.35Å; V645-A647 PolarHBondContact O-N 3.32Å; V645-A648 PolarHBondContact O-N 3.3Å; V645-L649 HydrophobicContact CG1-CD1 3.71Å; V645-L649 HydrophobicContact CG1-CG 4.27Å; V645-L649 WeakPolarHBondContact O-CB 3.48Å; V645-L649 VanDerWaalsContact O-CG 3.22Å; V645-L649 WeakPolarHBondContact O-CG 3.12Å; V645-L649 PolarHBondContact O-N 3.45Å; V645-T721 HydrophobicContact CG2-CG2 3.96Å; V645-M725 HydrophobicContact CG1-CE 4.46Å; V645-M725 HydrophobicContact CG2-CE 4.42Å; V645-M725 HydrophobicContact CG2-CG 4.01Å; V645-M725 HydrophobicContact CG2-SD 4.27Å; V645-I748 HydrophobicContact CG1-CG2 4.2Å; V645-L753 HydrophobicContact CG2-CD1 3.77Å |
| 646 | I | 93.7 | Very high | 92.3 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 41% | 0.41 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 178.4 | -69 | 164.7 | 0 | 0 | 0 | 110.8 | S642 A643 L649 K650 V659 | S642-I646 WeakPolarHBondContact O-CD1 3.3Å; S642-I646 VanDerWaalsContact O-CG1 3.25Å; S642-I646 WeakPolarHBondContact O-CG1 3.28Å; S642-I646 PolarHBondContact O-N 2.88Å; A643-I646 PolarHBondContact O-N 3.45Å; I646-L649 PolarHBondContact O-N 3.3Å; I646-K650 PolarHBondContact O-N 3.3Å; I646-V659 HydrophobicContact CG2-CG2 4.22Å |
| 647 | A | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | A643 G644 V645 K650 Q651 V659 M660 R722 | A643-A647 VanDerWaalsContact O-CB 3.31Å; A643-A647 WeakPolarHBondContact O-CB 3.29Å; A643-A647 PolarHBondContact O-N 2.88Å; G644-A647 PolarHBondContact O-N 2.79Å; V645-A647 VanDerWaalsContact C-N 3.35Å; V645-A647 PolarHBondContact O-N 3.32Å; A647-K650 CarbonylContact O-C 3.57Å; A647-K650 PolarHBondContact O-N 3.23Å; A647-Q651 WeakPolarHBondContact O-CA 3.47Å; A647-Q651 PolarHBondContact O-N 3Å; A647-Q651 VanDerWaalsContact O-N 3.12Å; A647-V659 HydrophobicContact CB-CG1 4.3Å; A647-M660 HydrophobicContact CB-CG 3.94Å; A647-M660 HydrophobicContact CB-SD 4.01Å; A647-R722 HydrophobicContact CB-CB 4.48Å; A647-R722 HydrophobicContact CB-CG 3.99Å |
| 648 | A | 92.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G644 V645 K650 Q651 R722 M725 I726 | G644-A648 VanDerWaalsContact O-CB 3.3Å; G644-A648 WeakPolarHBondContact O-CB 3.3Å; G644-A648 PolarHBondContact O-N 2.88Å; V645-A648 PolarHBondContact O-N 3.3Å; A648-K650 PolarHBondContact O-N 3.4Å; A648-Q651 PolarHBondContact O-N 3.3Å; A648-R722 HydrophobicContact CB-CG 4.3Å; A648-M725 HydrophobicContact CB-CB 3.43Å; A648-M725 VanDerWaalsContact CB-CB 3.43Å; A648-M725 HydrophobicContact CB-CG 4.48Å; A648-I726 HydrophobicContact CB-CG1 3.8Å |
| 649 | L | 92.3 | Very high | 91.3 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68 | -25.9 | 179.3 | -70.5 | 171.9 | 0 | 0 | 0 | 113 | V645 I646 L729 M744 I748 | V645-L649 HydrophobicContact CG1-CD1 3.71Å; V645-L649 HydrophobicContact CG1-CG 4.27Å; V645-L649 WeakPolarHBondContact O-CB 3.48Å; V645-L649 VanDerWaalsContact O-CG 3.22Å; V645-L649 WeakPolarHBondContact O-CG 3.12Å; V645-L649 PolarHBondContact O-N 3.45Å; I646-L649 PolarHBondContact O-N 3.3Å; L649-L729 HydrophobicContact CD2-CD1 3.85Å; L649-L729 HydrophobicContact CD2-CD2 4.43Å; L649-M744 HydrophobicContact CD2-CE 3.84Å; L649-I748 HydrophobicContact CD1-CD1 3.63Å; L649-I748 HydrophobicContact CD1-CG1 4.44Å; L649-I748 HydrophobicContact CD2-CD1 3.66Å; L649-I748 HydrophobicContact CD2-CG1 3.94Å; L649-I748 HydrophobicContact CG-CD1 4.3Å |
| 650 | K | 90 | Very high | 90.9 | Very high | 92 Ų | 92 | 57.5 Ų | 57.5 | 40% | 0.4 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 37.2 | 177.7 | -62.1 | -168.4 | 174.2 | -178.1 | 0 | 111.8 | I646 A647 A648 N652 T653 W655 D656 | I646-K650 PolarHBondContact O-N 3.3Å; A647-K650 CarbonylContact O-C 3.57Å; A647-K650 PolarHBondContact O-N 3.23Å; A648-K650 PolarHBondContact O-N 3.4Å; K650-N652 PolarHBondContact O-N 3.09Å; K650-T653 HydrophobicContact CB-CG2 4.39Å; K650-T653 WeakPolarHBondContact CB-OG1 2.89Å; K650-T653 VanDerWaalsContact O-CB 3.31Å; K650-T653 WeakPolarHBondContact O-CB 3.32Å; K650-T653 VanDerWaalsContact O-CG2 3.29Å; K650-T653 WeakPolarHBondContact O-CG2 3.13Å; K650-T653 PolarHBondContact O-N 3.24Å; K650-T653 VanDerWaalsContact O-N 3.14Å; K650-T653 PolarHBondContact O-OG1 3.07Å; K650-W655 HydrophobicContact CB-CB 4.16Å; K650-W655 HydrophobicContact CD-CB 3.63Å; K650-W655 HydrophobicContact CD-CG 3.68Å; K650-D656 VanDerWaalsContact O-CB 3.23Å; K650-D656 WeakPolarHBondContact O-CB 3.26Å |
| 651 | Q | 87.1 | Confident | 90.2 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 137.5 | -177.1 | -175.9 | -177.2 | 3.1 | 0 | 0 | 112.1 | A647 A648 T653 D656 I726 | A647-Q651 WeakPolarHBondContact O-CA 3.47Å; A647-Q651 PolarHBondContact O-N 3Å; A647-Q651 VanDerWaalsContact O-N 3.12Å; A648-Q651 PolarHBondContact O-N 3.3Å; Q651-T653 PolarHBondContact O-N 2.81Å; Q651-D656 WeakPolarHBondContact CA-OD2 3.24Å; Q651-I726 HydrophobicContact CB-CD1 4.37Å; Q651-I726 HydrophobicContact CG-CD1 3.83Å; Q651-I726 HydrophobicContact CG-CG1 4.33Å |
| 652 | N | 87.8 | Confident | 89.7 | Confident | 108 Ų | 108 | 64.1 Ų | 64.1 | 58% | 0.578 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 21.7 | 179.4 | -57.9 | -28.1 | 0 | 0 | 0 | 114.5 | K650 D656 | K650-N652 PolarHBondContact O-N 3.09Å; N652-D656 PolarHBondContact N-OD2 2.96Å |
| 653 | T | 89.1 | Confident | 89.2 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -106.5 | 169.1 | 172.2 | 74.3 | 0 | 0 | 0 | 0 | 111.5 | K650 Q651 W655 D656 Y657 | K650-T653 HydrophobicContact CB-CG2 4.39Å; K650-T653 WeakPolarHBondContact CB-OG1 2.89Å; K650-T653 VanDerWaalsContact O-CB 3.31Å; K650-T653 WeakPolarHBondContact O-CB 3.32Å; K650-T653 VanDerWaalsContact O-CG2 3.29Å; K650-T653 WeakPolarHBondContact O-CG2 3.13Å; K650-T653 PolarHBondContact O-N 3.24Å; K650-T653 VanDerWaalsContact O-N 3.14Å; K650-T653 PolarHBondContact O-OG1 3.07Å; Q651-T653 PolarHBondContact O-N 2.81Å; T653-W655 PolarHBondContact O-N 3.36Å; T653-W655 VanDerWaalsContact O-N 3.15Å; T653-W655 PolarHBondContact OG1-N 2.83Å; T653-D656 WeakPolarHBondContact O-CB 3.44Å; T653-D656 PolarHBondContact O-N 2.95Å; T653-D656 VanDerWaalsContact O-N 3.09Å; T653-Y657 WeakPolarHBondContact O-CD2 3.46Å; T653-Y657 PolarHBondContact O-N 3.47Å; T653-Y657 VanDerWaalsContact O-N 3.12Å |
| 654 | K | 89.5 | Confident | 88.4 | Confident | 180 Ų | 180 | 62.6 Ų | 62.6 | 78% | 0.783 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -52.6 | -35.7 | 172.9 | -64.8 | -176.6 | -179.8 | -178.2 | 0 | 112.3 | Y657 T658 | K654-Y657 PolarHBondContact O-N 2.88Å; K654-T658 VanDerWaalsContact O-CB 3.28Å; K654-T658 WeakPolarHBondContact O-CB 3.44Å; K654-T658 PolarHBondContact O-N 2.98Å; K654-T658 PolarHBondContact O-OG1 3.48Å |
| 655 | W | 89.3 | Confident | 87.7 | Confident | 151 Ų | 151 | 65.8 Ų | 65.8 | 57% | 0.572 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.9 | -41.6 | 178.7 | -73.6 | 104.6 | 0 | 0 | 0 | 112.8 | K650 T653 V659 | K650-W655 HydrophobicContact CB-CB 4.16Å; K650-W655 HydrophobicContact CD-CB 3.63Å; K650-W655 HydrophobicContact CD-CG 3.68Å; T653-W655 PolarHBondContact O-N 3.36Å; T653-W655 VanDerWaalsContact O-N 3.15Å; T653-W655 PolarHBondContact OG1-N 2.83Å; W655-V659 VanDerWaalsContact O-CB 3.26Å; W655-V659 WeakPolarHBondContact O-CB 3.1Å; W655-V659 WeakPolarHBondContact O-CG2 3.41Å; W655-V659 PolarHBondContact O-N 3.25Å |
| 656 | D | 88.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.011 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -52.4 | 174.8 | 173.5 | 18.2 | 0 | 0 | 0 | 110.5 | K650 Q651 N652 T653 T658 V659 M660 R722 | K650-D656 VanDerWaalsContact O-CB 3.23Å; K650-D656 WeakPolarHBondContact O-CB 3.26Å; Q651-D656 WeakPolarHBondContact CA-OD2 3.24Å; N652-D656 PolarHBondContact N-OD2 2.96Å; T653-D656 WeakPolarHBondContact O-CB 3.44Å; T653-D656 PolarHBondContact O-N 2.95Å; T653-D656 VanDerWaalsContact O-N 3.09Å; D656-T658 VanDerWaalsContact C-N 3.34Å; D656-T658 PolarHBondContact O-N 2.9Å; D656-V659 PolarHBondContact O-N 2.71Å; D656-M660 VanDerWaalsContact O-CB 3.28Å; D656-M660 WeakPolarHBondContact O-CB 3.34Å; D656-M660 WeakPolarHBondContact O-CG 3.41Å; D656-M660 PolarHBondContact O-N 3.2Å; D656-M660 WeakPolarHBondContact OD1-CG 3.32Å; D656-R722 IonicContact OD1-CZ 3.61Å; D656-R722 IonicContact OD1-NE 3.54Å; D656-R722 PolarHBondContact OD1-NE 3.32Å; D656-R722 IonicContact OD1-NH2 3.65Å; D656-R722 PolarHBondContact OD1-NH2 2.91Å; D656-R722 IonicContact OD2-CZ 3.21Å; D656-R722 IonicContact OD2-NE 2.6Å; D656-R722 PolarHBondContact OD2-NE 2.97Å; D656-R722 IonicContact OD2-NH2 3.07Å; D656-R722 PolarHBondContact OD2-NH2 3.4Å |
| 657 | Y | 85 | Confident | 85.9 | Confident | 151 Ų | 151 | 64.9 Ų | 64.9 | 59% | 0.592 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.8 | -38.5 | 177.8 | -67.1 | -63.5 | 0 | 0 | 0 | 113.4 | T653 K654 G661 | T653-Y657 WeakPolarHBondContact O-CD2 3.46Å; T653-Y657 PolarHBondContact O-N 3.47Å; T653-Y657 VanDerWaalsContact O-N 3.12Å; K654-Y657 PolarHBondContact O-N 2.88Å; Y657-G661 WeakPolarHBondContact O-CA 2.91Å; Y657-G661 PolarHBondContact O-N 3.03Å |
| 658 | T | 88.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.9 | -48.5 | 177.6 | -62 | 0 | 0 | 0 | 0 | 111.9 | K654 D656 G661 L662 | K654-T658 VanDerWaalsContact O-CB 3.28Å; K654-T658 WeakPolarHBondContact O-CB 3.44Å; K654-T658 PolarHBondContact O-N 2.98Å; K654-T658 PolarHBondContact O-OG1 3.48Å; D656-T658 VanDerWaalsContact C-N 3.34Å; D656-T658 PolarHBondContact O-N 2.9Å; T658-G661 PolarHBondContact O-N 3.39Å; T658-L662 HydrophobicContact CG2-CD1 3.94Å; T658-L662 HydrophobicContact CG2-CG 4.49Å; T658-L662 WeakPolarHBondContact O-CB 3.22Å; T658-L662 WeakPolarHBondContact O-CG 3.14Å; T658-L662 PolarHBondContact O-N 3.21Å |
| 659 | V | 89.2 | Confident | 84.4 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 17% | 0.17 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 179.9 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | A643 I646 A647 W655 D656 A663 | A643-V659 HydrophobicContact CB-CG1 3.71Å; A643-V659 WeakPolarHBondContact O-CG1 3.44Å; I646-V659 HydrophobicContact CG2-CG2 4.22Å; A647-V659 HydrophobicContact CB-CG1 4.3Å; W655-V659 VanDerWaalsContact O-CB 3.26Å; W655-V659 WeakPolarHBondContact O-CB 3.1Å; W655-V659 WeakPolarHBondContact O-CG2 3.41Å; W655-V659 PolarHBondContact O-N 3.25Å; D656-V659 PolarHBondContact O-N 2.71Å; V659-A663 VanDerWaalsContact O-CB 3.23Å; V659-A663 WeakPolarHBondContact O-CB 3.49Å; V659-A663 PolarHBondContact O-N 3.16Å |
| 660 | M | 85.9 | Confident | 83.8 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.7 | -37.8 | 176.9 | -68.3 | -52.6 | -53.3 | 0 | 0 | 112 | A647 D656 A663 M664 R719 R722 | A647-M660 HydrophobicContact CB-CG 3.94Å; A647-M660 HydrophobicContact CB-SD 4.01Å; D656-M660 VanDerWaalsContact O-CB 3.28Å; D656-M660 WeakPolarHBondContact O-CB 3.34Å; D656-M660 WeakPolarHBondContact O-CG 3.41Å; D656-M660 PolarHBondContact O-N 3.2Å; D656-M660 WeakPolarHBondContact OD1-CG 3.32Å; M660-A663 PolarHBondContact O-N 2.85Å; M660-M664 HydrophobicContact CE-CE 3.85Å; M660-M664 WeakPolarHBondContact O-CB 3.11Å; M660-M664 WeakPolarHBondContact O-CG 3.26Å; M660-M664 PolarHBondContact O-N 3.47Å; M660-R719 HydrophobicContact CE-CB 3.96Å; M660-R719 HydrophobicContact CE-CG 4.38Å; M660-R722 HydrophobicContact SD-CB 4.41Å; M660-R722 VanDerWaalsContact SD-CD 3.57Å |
| 661 | G | 81.5 | Confident | 83.5 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 40% | 0.402 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.8 | -51.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y657 T658 M664 T665 | Y657-G661 WeakPolarHBondContact O-CA 2.91Å; Y657-G661 PolarHBondContact O-N 3.03Å; T658-G661 PolarHBondContact O-N 3.39Å; G661-M664 PolarHBondContact O-N 2.91Å; G661-T665 PolarHBondContact O-N 3.36Å |
| 662 | L | 85 | Confident | 83.4 | Confident | 119 Ų | 119 | 73 Ų | 73 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.2 | -38.5 | 175.8 | -73.1 | 169.9 | 0 | 0 | 0 | 112.7 | T658 M664 T665 | T658-L662 HydrophobicContact CG2-CD1 3.94Å; T658-L662 HydrophobicContact CG2-CG 4.49Å; T658-L662 WeakPolarHBondContact O-CB 3.22Å; T658-L662 WeakPolarHBondContact O-CG 3.14Å; T658-L662 PolarHBondContact O-N 3.21Å; L662-M664 VanDerWaalsContact C-N 3.33Å; L662-T665 PolarHBondContact O-OG1 3.43Å |
| 663 | A | 82.6 | Confident | 83.3 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V659 M660 T665 G666 A715 A718 | V659-A663 VanDerWaalsContact O-CB 3.23Å; V659-A663 WeakPolarHBondContact O-CB 3.49Å; V659-A663 PolarHBondContact O-N 3.16Å; M660-A663 PolarHBondContact O-N 2.85Å; A663-T665 VanDerWaalsContact C-N 3.28Å; A663-T665 PolarHBondContact O-N 2.88Å; A663-G666 PolarHBondContact O-N 2.73Å; A663-A715 WeakPolarHBondContact O-CB 3.31Å; A663-A718 HydrophobicContact CB-CB 4.38Å |
| 664 | M | 79 | Confident | 83.3 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 16% | 0.163 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.1 | -24.3 | -177.2 | -70.9 | -55.3 | 99.3 | 0 | 0 | 113.9 | M660 G661 L662 G666 V667 V668 A715 R719 | M660-M664 HydrophobicContact CE-CE 3.85Å; M660-M664 WeakPolarHBondContact O-CB 3.11Å; M660-M664 WeakPolarHBondContact O-CG 3.26Å; M660-M664 PolarHBondContact O-N 3.47Å; G661-M664 PolarHBondContact O-N 2.91Å; L662-M664 VanDerWaalsContact C-N 3.33Å; M664-G666 PolarHBondContact O-N 3.25Å; M664-V667 PolarHBondContact O-N 3.27Å; M664-V668 WeakPolarHBondContact O-CG2 3.27Å; M664-V668 PolarHBondContact O-N 2.86Å; M664-V668 VanDerWaalsContact O-N 3.1Å; M664-A715 HydrophobicContact CE-CB 3.76Å; M664-A715 VanDerWaalsContact CE-O 3.3Å; M664-A715 WeakPolarHBondContact CE-O 3.4Å; M664-R719 HydrophobicContact CE-CB 4.24Å; M664-R719 VanDerWaalsContact SD-CZ 3.56Å; M664-R719 PolarHBondContact SD-NH2 3.4Å |
| 665 | T | 77.8 | Confident | 83.4 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.5 | -29.8 | 172 | 60.2 | 0 | 0 | 0 | 0 | 112 | G661 L662 A663 V667 V668 I669 | G661-T665 PolarHBondContact O-N 3.36Å; L662-T665 PolarHBondContact O-OG1 3.43Å; A663-T665 VanDerWaalsContact C-N 3.28Å; A663-T665 PolarHBondContact O-N 2.88Å; T665-V667 VanDerWaalsContact C-N 3.26Å; T665-V667 PolarHBondContact O-N 3.35Å; T665-V668 PolarHBondContact O-N 3.31Å; T665-I669 WeakPolarHBondContact O-CG1 3.34Å; T665-I669 PolarHBondContact O-N 2.86Å |
| 666 | G | 75.2 | Confident | 83.5 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -22.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A663 M664 A712 | A663-G666 PolarHBondContact O-N 2.73Å; M664-G666 PolarHBondContact O-N 3.25Å; G666-A712 WeakPolarHBondContact O-CA 3.09Å; G666-A712 WeakPolarHBondContact O-CB 3.23Å; G666-A712 PolarHBondContact O-N 2.72Å |
| 667 | V | 74.9 | Confident | 83.6 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -92.8 | -33.2 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | M664 T665 A715 | M664-V667 PolarHBondContact O-N 3.27Å; T665-V667 VanDerWaalsContact C-N 3.26Å; T665-V667 PolarHBondContact O-N 3.35Å; V667-A715 HydrophobicContact CG2-CB 3.41Å; V667-A715 VanDerWaalsContact CG2-CB 3.41Å |
| 668 | V | 76.5 | Confident | 84 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 68% | 0.679 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -76.7 | -35.6 | -176 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | M664 T665 P670 | M664-V668 WeakPolarHBondContact O-CG2 3.27Å; M664-V668 PolarHBondContact O-N 2.86Å; M664-V668 VanDerWaalsContact O-N 3.1Å; T665-V668 PolarHBondContact O-N 3.31Å; V668-P670 WeakPolarHBondContact O-CD 3.21Å |
| 669 | I | 78.9 | Confident | 84.2 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 34% | 0.344 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -91.6 | 116.9 | -178 | -52 | 172.3 | 0 | 0 | 0 | 108.8 | T665 V673 V674 | T665-I669 WeakPolarHBondContact O-CG1 3.34Å; T665-I669 PolarHBondContact O-N 2.86Å; I669-V673 HydrophobicContact CG2-CB 3.87Å; I669-V673 HydrophobicContact CG2-CG1 3.89Å; I669-V674 HydrophobicContact CB-CG2 3.77Å; I669-V674 HydrophobicContact CG2-CG2 3.41Å; I669-V674 VanDerWaalsContact CG2-CG2 3.41Å |
| 670 | P | 79 | Confident | 84.4 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | trans | -60.3 | 148 | 178.6 | -22.9 | 34 | 0 | 0 | 0 | 112.3 | V668 F672 V673 V674 | V668-P670 WeakPolarHBondContact O-CD 3.21Å; P670-F672 HydrophobicContact CB-CD1 3.5Å; P670-F672 HydrophobicContact CB-CE1 3.17Å; P670-F672 HydrophobicContact CB-CE2 4.34Å; P670-F672 HydrophobicContact CB-CG 4.22Å; P670-F672 HydrophobicContact CB-CZ 3.64Å; P670-F672 HydrophobicContact CG-CE1 3.79Å; P670-F672 HydrophobicContact CG-CZ 3.83Å; P670-F672 PolarHBondContact O-N 3.42Å; P670-V673 HydrophobicContact CB-CG2 4.43Å; P670-V673 HydrophobicContact CG-CG2 4.48Å; P670-V673 WeakPolarHBondContact O-CB 3.43Å; P670-V673 PolarHBondContact O-N 2.97Å; P670-V674 PolarHBondContact O-N 3.24Å | ||
| 671 | S | 83.3 | Confident | 84.8 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.7 | -33.3 | -179.2 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | V673 V674 A675 | S671-V673 PolarHBondContact O-N 3.14Å; S671-V674 PolarHBondContact O-N 3.27Å; S671-A675 WeakPolarHBondContact O-CB 3.3Å; S671-A675 PolarHBondContact O-N 3.47Å |
| 672 | F | 85 | Confident | 85.5 | Confident | 125 Ų | 125 | 56.5 Ų | 56.5 | 55% | 0.548 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.2 | -15.7 | 175.9 | 67.9 | -100.1 | 0 | 0 | 0 | 114 | P670 P676 V777 I781 | P670-F672 HydrophobicContact CB-CD1 3.5Å; P670-F672 HydrophobicContact CB-CE1 3.17Å; P670-F672 HydrophobicContact CB-CE2 4.34Å; P670-F672 HydrophobicContact CB-CG 4.22Å; P670-F672 HydrophobicContact CB-CZ 3.64Å; P670-F672 HydrophobicContact CG-CE1 3.79Å; P670-F672 HydrophobicContact CG-CZ 3.83Å; P670-F672 PolarHBondContact O-N 3.42Å; F672-P676 WeakPolarHBondContact O-CD 3.47Å; F672-P676 WeakPolarHBondContact O-CG 3.32Å; F672-V777 HydrophobicContact CB-CG1 3.75Å; F672-I781 HydrophobicContact CB-CD1 4.36Å |
| 673 | V | 86.5 | Confident | 85.9 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 35% | 0.345 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -93.4 | -44.3 | 171.7 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I669 P670 S671 A675 P676 L677 | I669-V673 HydrophobicContact CG2-CB 3.87Å; I669-V673 HydrophobicContact CG2-CG1 3.89Å; P670-V673 HydrophobicContact CB-CG2 4.43Å; P670-V673 HydrophobicContact CG-CG2 4.48Å; P670-V673 WeakPolarHBondContact O-CB 3.43Å; P670-V673 PolarHBondContact O-N 2.97Å; S671-V673 PolarHBondContact O-N 3.14Å; V673-A675 PolarHBondContact O-N 2.95Å; V673-P676 WeakPolarHBondContact O-CD 3.47Å; V673-L677 HydrophobicContact CG1-CD1 3.86Å; V673-L677 HydrophobicContact CG1-CG 4.45Å; V673-L677 WeakPolarHBondContact O-CB 3.33Å; V673-L677 VanDerWaalsContact O-CG 3.26Å; V673-L677 WeakPolarHBondContact O-CG 3.48Å; V673-L677 PolarHBondContact O-N 2.76Å |
| 674 | V | 88 | Confident | 86.4 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -46.2 | -179.7 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | I669 P670 S671 L677 L678 A708 L711 | I669-V674 HydrophobicContact CB-CG2 3.77Å; I669-V674 HydrophobicContact CG2-CG2 3.41Å; I669-V674 VanDerWaalsContact CG2-CG2 3.41Å; P670-V674 PolarHBondContact O-N 3.24Å; S671-V674 PolarHBondContact O-N 3.27Å; V674-L677 PolarHBondContact O-N 2.95Å; V674-L678 HydrophobicContact CG1-CD1 3.75Å; V674-L678 HydrophobicContact CG1-CG 4.05Å; V674-L678 WeakPolarHBondContact O-CB 3.32Å; V674-L678 WeakPolarHBondContact O-CG 3.46Å; V674-L678 PolarHBondContact O-N 2.98Å; V674-A708 HydrophobicContact CG1-CB 4.44Å; V674-L711 HydrophobicContact CG1-CD1 3.61Å |
| 675 | A | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -50.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | S671 V673 L677 L678 V679 A708 I778 I781 Y782 | S671-A675 WeakPolarHBondContact O-CB 3.3Å; S671-A675 PolarHBondContact O-N 3.47Å; V673-A675 PolarHBondContact O-N 2.95Å; A675-L677 VanDerWaalsContact C-N 3.32Å; A675-L677 PolarHBondContact O-N 3.23Å; A675-L678 PolarHBondContact O-N 2.96Å; A675-V679 WeakPolarHBondContact O-CG2 3.26Å; A675-V679 PolarHBondContact O-N 3.22Å; A675-A708 HydrophobicContact CB-CB 4.25Å; A675-I778 HydrophobicContact CB-CD1 3.82Å; A675-I781 HydrophobicContact CB-CB 4.37Å; A675-I781 HydrophobicContact CB-CD1 3.85Å; A675-I781 HydrophobicContact CB-CG2 3.88Å; A675-Y782 HydrophobicContact CB-CD2 4.47Å; A675-Y782 HydrophobicContact CB-CE2 3.58Å; A675-Y782 PolarHBondContact O-OH 2.92Å |
| 676 | P | 91.5 | Very high | 87.9 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -34.3 | 175.2 | -24.3 | 37.1 | 0 | 0 | 0 | 113.2 | F672 V673 V679 M680 I781 | F672-P676 WeakPolarHBondContact O-CD 3.47Å; F672-P676 WeakPolarHBondContact O-CG 3.32Å; V673-P676 WeakPolarHBondContact O-CD 3.47Å; P676-V679 PolarHBondContact O-N 2.83Å; P676-M680 VanDerWaalsContact O-CB 3.32Å; P676-M680 WeakPolarHBondContact O-CB 3.43Å; P676-M680 PolarHBondContact O-N 3.46Å; P676-I781 HydrophobicContact CG-CD1 4.21Å; P676-I781 HydrophobicContact CG-CG2 4.3Å |
| 677 | L | 91.3 | Very high | 88.8 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 40% | 0.398 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 174.2 | -74 | 177 | 0 | 0 | 0 | 112 | V673 V674 A675 V679 M680 I681 | V673-L677 HydrophobicContact CG1-CD1 3.86Å; V673-L677 HydrophobicContact CG1-CG 4.45Å; V673-L677 WeakPolarHBondContact O-CB 3.33Å; V673-L677 VanDerWaalsContact O-CG 3.26Å; V673-L677 WeakPolarHBondContact O-CG 3.48Å; V673-L677 PolarHBondContact O-N 2.76Å; V674-L677 PolarHBondContact O-N 2.95Å; A675-L677 VanDerWaalsContact C-N 3.32Å; A675-L677 PolarHBondContact O-N 3.23Å; L677-V679 VanDerWaalsContact C-N 3.35Å; L677-M680 HydrophobicContact CD2-CE 3.61Å; L677-M680 PolarHBondContact O-N 3.04Å; L677-I681 WeakPolarHBondContact O-CB 3.13Å; L677-I681 VanDerWaalsContact O-CG1 3.27Å; L677-I681 WeakPolarHBondContact O-CG1 3.29Å; L677-I681 PolarHBondContact O-N 2.72Å |
| 678 | L | 93 | Very high | 89.7 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.12 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 174.7 | -73.6 | 177.6 | 0 | 0 | 0 | 111.4 | V674 A675 F682 L704 V707 A708 | V674-L678 HydrophobicContact CG1-CD1 3.75Å; V674-L678 HydrophobicContact CG1-CG 4.05Å; V674-L678 WeakPolarHBondContact O-CB 3.32Å; V674-L678 WeakPolarHBondContact O-CG 3.46Å; V674-L678 PolarHBondContact O-N 2.98Å; A675-L678 PolarHBondContact O-N 2.96Å; L678-F682 HydrophobicContact CD2-CD2 3.89Å; L678-F682 HydrophobicContact CD2-CE2 3.64Å; L678-F682 WeakPolarHBondContact O-CB 3.15Å; L678-F682 WeakPolarHBondContact O-CD2 3.41Å; L678-F682 PolarHBondContact O-N 3.28Å; L678-L704 HydrophobicContact CB-CD2 4.33Å; L678-V707 HydrophobicContact CD1-CB 4.45Å; L678-V707 HydrophobicContact CD1-CG1 4.11Å; L678-A708 HydrophobicContact CD1-CB 3.88Å |
| 679 | V | 93.6 | Very high | 90.5 | Very high | 25 Ų | 25 | 67.6 Ų | 67.6 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 172.4 | 173 | 0 | 0 | 0 | 0 | 110.7 | A675 P676 L677 I681 A683 I684 G691 Y782 | A675-V679 WeakPolarHBondContact O-CG2 3.26Å; A675-V679 PolarHBondContact O-N 3.22Å; P676-V679 PolarHBondContact O-N 2.83Å; L677-V679 VanDerWaalsContact C-N 3.35Å; V679-I681 PolarHBondContact O-N 3.29Å; V679-A683 HydrophobicContact CG1-CB 4.13Å; V679-A683 VanDerWaalsContact O-CA 3.29Å; V679-A683 WeakPolarHBondContact O-CA 3.35Å; V679-A683 WeakPolarHBondContact O-CB 3.36Å; V679-A683 PolarHBondContact O-N 2.86Å; V679-I684 HydrophobicContact CG1-CD1 4.47Å; V679-I684 PolarHBondContact O-N 3.5Å; V679-I684 VanDerWaalsContact O-N 3.07Å; V679-G691 WeakPolarHBondContact CG2-O 3.36Å; V679-Y782 HydrophobicContact CG2-CD1 4.02Å; V679-Y782 HydrophobicContact CG2-CE1 3.36Å |
| 680 | M | 92.9 | Very high | 91.1 | Very high | 86 Ų | 86 | 66.1 Ų | 66.1 | 42% | 0.424 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -58.7 | -46.2 | -180 | -175.5 | 177 | 72.1 | 0 | 0 | 111.7 | P676 L677 I684 I685 | P676-M680 VanDerWaalsContact O-CB 3.32Å; P676-M680 WeakPolarHBondContact O-CB 3.43Å; P676-M680 PolarHBondContact O-N 3.46Å; L677-M680 HydrophobicContact CD2-CE 3.61Å; L677-M680 PolarHBondContact O-N 3.04Å; M680-I684 WeakPolarHBondContact O-CB 3.15Å; M680-I684 PolarHBondContact O-N 3.5Å; M680-I685 HydrophobicContact CG-CD1 4.12Å; M680-I685 VanDerWaalsContact O-CG1 3.3Å; M680-I685 WeakPolarHBondContact O-CG1 3.31Å; M680-I685 PolarHBondContact O-N 3.33Å |
| 681 | I | 94.3 | Very high | 91.6 | Very high | 69 Ų | 69 | 64.8 Ų | 64.8 | 35% | 0.354 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -72.2 | -54.2 | -178.3 | -66 | 166 | 0 | 0 | 0 | 111 | L677 V679 L686 | L677-I681 WeakPolarHBondContact O-CB 3.13Å; L677-I681 VanDerWaalsContact O-CG1 3.27Å; L677-I681 WeakPolarHBondContact O-CG1 3.29Å; L677-I681 PolarHBondContact O-N 2.72Å; V679-I681 PolarHBondContact O-N 3.29Å; I681-L686 HydrophobicContact CG2-CD1 3.89Å; I681-L686 HydrophobicContact CG2-CG 4.49Å; I681-L686 VanDerWaalsContact O-CB 3.28Å; I681-L686 WeakPolarHBondContact O-CB 3.34Å; I681-L686 VanDerWaalsContact O-CG 3.24Å; I681-L686 WeakPolarHBondContact O-CG 3.21Å; I681-L686 PolarHBondContact O-N 3.26Å |
| 682 | F | 96 | Very high | 91.8 | Very high | 56 Ų | 56 | 64 Ų | 64 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -90.7 | -26.5 | -168.2 | -68.1 | -75.2 | 0 | 0 | 0 | 114.4 | L678 L686 H687 W688 L689 L704 | L678-F682 HydrophobicContact CD2-CD2 3.89Å; L678-F682 HydrophobicContact CD2-CE2 3.64Å; L678-F682 WeakPolarHBondContact O-CB 3.15Å; L678-F682 WeakPolarHBondContact O-CD2 3.41Å; L678-F682 PolarHBondContact O-N 3.28Å; F682-L686 HydrophobicContact CD1-CD1 3.87Å; F682-L686 HydrophobicContact CE1-CD1 4.02Å; F682-H687 CarbonylContact O-C 3.35Å; F682-H687 PolarHBondContact O-N 3.46Å; F682-W688 AromaticContact CD1-CE3 3.78Å; F682-W688 HydrophobicContact CD1-CE3 3.78Å; F682-W688 HydrophobicContact CD1-CZ3 4.32Å; F682-W688 AromaticContact CE1-CE3 3.88Å; F682-W688 HydrophobicContact CE1-CE3 3.88Å; F682-W688 AromaticContact CE1-CZ3 3.97Å; F682-W688 HydrophobicContact CE1-CZ3 3.97Å; F682-W688 PolarHBondContact O-N 3.05Å; F682-L689 HydrophobicContact CB-CB 4.43Å; F682-L689 HydrophobicContact CB-CD1 4.46Å; F682-L689 PolarHBondContact O-N 2.91Å; F682-L704 HydrophobicContact CB-CD1 4.18Å; F682-L704 HydrophobicContact CB-CD2 3.8Å; F682-L704 HydrophobicContact CD2-CD2 3.84Å; F682-L704 HydrophobicContact CG-CD2 3.99Å |
| 683 | A | 93.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -98.2 | -42.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V679 L689 | V679-A683 HydrophobicContact CG1-CB 4.13Å; V679-A683 VanDerWaalsContact O-CA 3.29Å; V679-A683 WeakPolarHBondContact O-CA 3.35Å; V679-A683 WeakPolarHBondContact O-CB 3.36Å; V679-A683 PolarHBondContact O-N 2.86Å; A683-L689 WeakPolarHBondContact CA-O 3.29Å; A683-L689 WeakPolarHBondContact CB-O 3.41Å |
| 684 | I | 93.7 | Very high | 92.2 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 55% | 0.549 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -92.1 | -46.7 | -174.2 | -55.6 | 178.8 | 0 | 0 | 0 | 112.2 | V679 M680 H687 | V679-I684 HydrophobicContact CG1-CD1 4.47Å; V679-I684 PolarHBondContact O-N 3.5Å; V679-I684 VanDerWaalsContact O-N 3.07Å; M680-I684 WeakPolarHBondContact O-CB 3.15Å; M680-I684 PolarHBondContact O-N 3.5Å; I684-H687 PolarHBondContact O-CE1 3.47Å; I684-H687 PolarHBondContact O-ND1 3.16Å; I684-H687 PolarHBondContact O-NE2 2.83Å |
| 685 | I | 93.4 | Very high | 92.2 | Very high | 107 Ų | 107 | 63 Ų | 63 | 55% | 0.549 | 33% | 0.334 | S | S | . | . | I | π-helix | trans | -83.5 | -56.4 | -177.1 | -65.1 | 166.7 | 0 | 0 | 0 | 110.4 | M680 H687 | M680-I685 HydrophobicContact CG-CD1 4.12Å; M680-I685 VanDerWaalsContact O-CG1 3.3Å; M680-I685 WeakPolarHBondContact O-CG1 3.31Å; M680-I685 PolarHBondContact O-N 3.33Å; I685-H687 PolarHBondContact O-ND1 2.84Å; I685-H687 VanDerWaalsContact O-ND1 3.11Å |
| 686 | L | 95.1 | Very high | 91.9 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -84.9 | -21 | -174.2 | -64.1 | 174.5 | 0 | 0 | 0 | 113.9 | I681 F682 W688 | I681-L686 HydrophobicContact CG2-CD1 3.89Å; I681-L686 HydrophobicContact CG2-CG 4.49Å; I681-L686 VanDerWaalsContact O-CB 3.28Å; I681-L686 WeakPolarHBondContact O-CB 3.34Å; I681-L686 VanDerWaalsContact O-CG 3.24Å; I681-L686 WeakPolarHBondContact O-CG 3.21Å; I681-L686 PolarHBondContact O-N 3.26Å; F682-L686 HydrophobicContact CD1-CD1 3.87Å; F682-L686 HydrophobicContact CE1-CD1 4.02Å; L686-W688 HydrophobicContact CB-CD2 3.93Å; L686-W688 HydrophobicContact CB-CG 3.89Å; L686-W688 HydrophobicContact CD1-CD2 4.06Å; L686-W688 HydrophobicContact CD1-CE3 3.97Å; L686-W688 HydrophobicContact CD1-CH2 4.03Å; L686-W688 HydrophobicContact CD1-CZ2 4.12Å; L686-W688 HydrophobicContact CD1-CZ3 3.96Å; L686-W688 HydrophobicContact CD2-CZ2 4.19Å; L686-W688 PolarHBondContact O-N 3.49Å; L686-W688 PolarHBondContact O-NE1 2.89Å |
| 687 | H | 92.8 | Very high | 91.6 | Very high | 148 Ų | 148 | 63.8 Ų | 63.8 | 69% | 0.685 | 35% | 0.352 | S | S | * | . | trans | 56.1 | 26.2 | -176.6 | -55.1 | 82.3 | 0 | 0 | 0 | 114.7 | F682 I684 I685 | F682-H687 CarbonylContact O-C 3.35Å; F682-H687 PolarHBondContact O-N 3.46Å; I684-H687 PolarHBondContact O-CE1 3.47Å; I684-H687 PolarHBondContact O-ND1 3.16Å; I684-H687 PolarHBondContact O-NE2 2.83Å; I685-H687 PolarHBondContact O-ND1 2.84Å; I685-H687 VanDerWaalsContact O-ND1 3.11Å | ||
| 688 | W | 93.7 | Very high | 91.6 | Very high | 181 Ų | 181 | 61.8 Ų | 61.8 | 69% | 0.686 | 35% | 0.347 | S | S | * | . | trans | -82.4 | -34.8 | -177.1 | -67.9 | -2.8 | 0 | 0 | 0 | 113.2 | F682 L686 | F682-W688 AromaticContact CD1-CE3 3.78Å; F682-W688 HydrophobicContact CD1-CE3 3.78Å; F682-W688 HydrophobicContact CD1-CZ3 4.32Å; F682-W688 AromaticContact CE1-CE3 3.88Å; F682-W688 HydrophobicContact CE1-CE3 3.88Å; F682-W688 AromaticContact CE1-CZ3 3.97Å; F682-W688 HydrophobicContact CE1-CZ3 3.97Å; F682-W688 PolarHBondContact O-N 3.05Å; L686-W688 HydrophobicContact CB-CD2 3.93Å; L686-W688 HydrophobicContact CB-CG 3.89Å; L686-W688 HydrophobicContact CD1-CD2 4.06Å; L686-W688 HydrophobicContact CD1-CE3 3.97Å; L686-W688 HydrophobicContact CD1-CH2 4.03Å; L686-W688 HydrophobicContact CD1-CZ2 4.12Å; L686-W688 HydrophobicContact CD1-CZ3 3.96Å; L686-W688 HydrophobicContact CD2-CZ2 4.19Å; L686-W688 PolarHBondContact O-N 3.49Å; L686-W688 PolarHBondContact O-NE1 2.89Å | ||
| 689 | L | 94.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -134.9 | 149 | -172.1 | -67.4 | 171 | 0 | 0 | 0 | 110.5 | F682 A683 K700 I703 L704 | F682-L689 HydrophobicContact CB-CB 4.43Å; F682-L689 HydrophobicContact CB-CD1 4.46Å; F682-L689 PolarHBondContact O-N 2.91Å; A683-L689 WeakPolarHBondContact CA-O 3.29Å; A683-L689 WeakPolarHBondContact CB-O 3.41Å; L689-K700 HydrophobicContact CD2-CB 4.42Å; L689-I703 HydrophobicContact CD1-CB 4.06Å; L689-I703 HydrophobicContact CD1-CG2 3.59Å; L689-I703 HydrophobicContact CD2-CB 4.41Å; L689-I703 HydrophobicContact CD2-CD1 3.79Å; L689-L704 HydrophobicContact CB-CD1 4.02Å; L689-L704 HydrophobicContact CB-CD2 4.36Å; L689-L704 HydrophobicContact CB-CG 4.01Å; L689-L704 HydrophobicContact CD1-CD2 3.54Å; L689-L704 HydrophobicContact CD1-CG 3.89Å |
| 690 | P | 92 | Very high | 91.4 | Very high | 35 Ų | 35 | 70.9 Ų | 70.9 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | trans | -65.6 | 143.4 | 175.7 | 28.9 | -35.5 | 0 | 0 | 0 | 111.2 | G692 K700 F701 | P690-G692 PolarHBondContact O-N 3.38Å; P690-K700 VanDerWaalsContact CD-O 3.29Å; P690-K700 WeakPolarHBondContact CD-O 3.4Å; P690-K700 HydrophobicContact CG-CG 4.34Å; P690-K700 WeakPolarHBondContact CG-O 2.98Å; P690-F701 HydrophobicContact CB-CD1 3.67Å; P690-F701 HydrophobicContact CB-CE1 3.49Å; P690-F701 VanDerWaalsContact CB-CE1 3.49Å; P690-F701 HydrophobicContact CB-CG 4.48Å; P690-F701 HydrophobicContact CB-CZ 4.21Å; P690-F701 HydrophobicContact CG-CB 4.35Å; P690-F701 HydrophobicContact CG-CD1 3.39Å; P690-F701 HydrophobicContact CG-CD2 4.28Å; P690-F701 HydrophobicContact CG-CE1 3.64Å; P690-F701 HydrophobicContact CG-CG 3.75Å; P690-F701 HydrophobicContact CG-CZ 4.21Å | ||
| 691 | G | 87.9 | Confident | 91.4 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -73.9 | -10.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V679 Y782 | V679-G691 WeakPolarHBondContact CG2-O 3.36Å; G691-Y782 WeakPolarHBondContact O-CD1 3.37Å |
| 692 | G | 89.3 | Confident | 91.3 | Very high | 28 Ų | 28 | 65.6 Ų | 65.6 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 175 | 176 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P690 F701 Y782 | P690-G692 PolarHBondContact O-N 3.38Å; G692-F701 VanDerWaalsContact O-CD1 3.26Å; G692-F701 WeakPolarHBondContact O-CD1 3.29Å; G692-F701 WeakPolarHBondContact O-CE1 3.38Å; G692-Y782 CarbonylContact C-O 3.56Å; G692-Y782 WeakPolarHBondContact CA-O 3.24Å |
| 693 | G | 90.1 | Very high | 91.2 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | trans | 103.3 | 163.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F701 Y782 L784 | G693-F701 WeakPolarHBondContact O-CB 3.27Å; G693-F701 WeakPolarHBondContact O-CD1 3.43Å; G693-Y782 PolarHBondContact N-O 2.89Å; G693-L784 WeakPolarHBondContact O-CD2 3.24Å | ||
| 694 | W | 88.9 | Confident | 91.3 | Very high | 47 Ų | 47 | 64.8 Ų | 64.8 | 18% | 0.178 | 36% | 0.356 | C | S | . | . | trans | -104.3 | -41.8 | -177.5 | -178.4 | -127.9 | 0 | 0 | 0 | 114.7 | V624 K627 G696 G697 M702 L784 P785 | V624-W694 HydrophobicContact CB-CH2 4.48Å; V624-W694 HydrophobicContact CB-CZ2 4.14Å; V624-W694 HydrophobicContact CG1-CD2 3.84Å; V624-W694 HydrophobicContact CG1-CE3 3.88Å; V624-W694 HydrophobicContact CG1-CG 4.47Å; V624-W694 HydrophobicContact CG1-CH2 3.94Å; V624-W694 HydrophobicContact CG1-CZ2 3.91Å; V624-W694 HydrophobicContact CG1-CZ3 3.93Å; V624-W694 HydrophobicContact CG2-CD2 4.44Å; V624-W694 HydrophobicContact CG2-CZ2 4.02Å; K627-W694 HydrophobicContact CB-CH2 4.27Å; K627-W694 HydrophobicContact CD-CH2 3.97Å; K627-W694 HydrophobicContact CD-CZ2 4.1Å; K627-W694 HydrophobicContact CG-CH2 4.33Å; W694-G696 VanDerWaalsContact C-N 3.31Å; W694-G696 PolarHBondContact O-N 3.03Å; W694-G696 VanDerWaalsContact O-N 3.17Å; W694-G697 VanDerWaalsContact CE2-N 3.35Å; W694-G697 WeakPolarHBondContact O-CA 3.42Å; W694-G697 PolarHBondContact O-N 3.04Å; W694-M702 HydrophobicContact CE3-CG 4.47Å; W694-M702 HydrophobicContact CH2-CE 4.46Å; W694-M702 HydrophobicContact CH2-CG 4.43Å; W694-M702 HydrophobicContact CH2-SD 4.07Å; W694-M702 HydrophobicContact CZ3-CG 3.77Å; W694-M702 HydrophobicContact CZ3-SD 4.01Å; W694-L784 HydrophobicContact CB-CD2 4.46Å; W694-L784 HydrophobicContact CE3-CD2 4.27Å; W694-P785 HydrophobicContact CB-CG 4.1Å; W694-P785 HydrophobicContact CG-CG 4.28Å | ||
| 695 | N | 88.3 | Confident | 91.2 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 57% | 0.572 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | 41.6 | 51.2 | 179.9 | -165.5 | 54.9 | 0 | 0 | 0 | 114.4 | G697 A698 F701 | N695-G697 PolarHBondContact O-N 3.29Å; N695-A698 WeakPolarHBondContact O-CB 3.44Å; N695-A698 PolarHBondContact O-N 3.38Å; N695-F701 HydrophobicContact CB-CD2 3.53Å; N695-F701 HydrophobicContact CB-CE1 4.5Å; N695-F701 HydrophobicContact CB-CE2 3.32Å; N695-F701 HydrophobicContact CB-CG 4.19Å; N695-F701 HydrophobicContact CB-CZ 3.88Å |
| 696 | G | 84.8 | Confident | 91.2 | Very high | 66 Ų | 66 | 56 Ų | 56 | 68% | 0.68 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | 67.7 | 15 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | W694 | W694-G696 VanDerWaalsContact C-N 3.31Å; W694-G696 PolarHBondContact O-N 3.03Å; W694-G696 VanDerWaalsContact O-N 3.17Å |
| 697 | G | 84.8 | Confident | 91.1 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | 72.4 | 38.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K627 W694 N695 M702 | K627-G697 PolarHBondContact NZ-O 2.94Å; W694-G697 VanDerWaalsContact CE2-N 3.35Å; W694-G697 WeakPolarHBondContact O-CA 3.42Å; W694-G697 PolarHBondContact O-N 3.04Å; N695-G697 PolarHBondContact O-N 3.29Å; G697-M702 VanDerWaalsContact O-SD 3.42Å |
| 698 | A | 90.7 | Very high | 91 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 28% | 0.281 | 28% | 0.278 | S | S | . | . | trans | -66.2 | 136 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N695 K700 F701 M702 | N695-A698 WeakPolarHBondContact O-CB 3.44Å; N695-A698 PolarHBondContact O-N 3.38Å; A698-K700 VanDerWaalsContact C-N 3.26Å; A698-K700 PolarHBondContact O-N 3.27Å; A698-K700 VanDerWaalsContact O-N 3.08Å; A698-F701 HydrophobicContact CB-CD2 4.12Å; A698-F701 PolarHBondContact O-N 3.26Å; A698-M702 PolarHBondContact O-N 2.89Å | ||
| 699 | L | 90.5 | Very high | 90.9 | Very high | 120 Ų | 120 | 40.4 Ų | 40.4 | 63% | 0.628 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -53.1 | -40.4 | -168.6 | -173.5 | 64.5 | 0 | 0 | 0 | 113.4 | F701 M702 I703 | L699-F701 PolarHBondContact O-N 3.14Å; L699-F701 VanDerWaalsContact O-N 3.16Å; L699-M702 PolarHBondContact O-N 3.47Å; L699-I703 HydrophobicContact CG-CD1 4.34Å; L699-I703 HydrophobicContact CG-CG1 4.29Å; L699-I703 WeakPolarHBondContact O-CG1 3.38Å; L699-I703 PolarHBondContact O-N 2.84Å; L699-I703 VanDerWaalsContact O-N 3.08Å |
| 700 | K | 93 | Very high | 90.8 | Very high | 119 Ų | 119 | 38.8 Ų | 38.8 | 52% | 0.517 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.5 | -33 | 179.5 | 69.2 | -178.1 | -174.6 | 178.2 | 0 | 113.8 | L689 P690 A698 | L689-K700 HydrophobicContact CD2-CB 4.42Å; P690-K700 VanDerWaalsContact CD-O 3.29Å; P690-K700 WeakPolarHBondContact CD-O 3.4Å; P690-K700 HydrophobicContact CG-CG 4.34Å; P690-K700 WeakPolarHBondContact CG-O 2.98Å; A698-K700 VanDerWaalsContact C-N 3.26Å; A698-K700 PolarHBondContact O-N 3.27Å; A698-K700 VanDerWaalsContact O-N 3.08Å |
| 701 | F | 92.8 | Very high | 90.7 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -82.8 | -19.7 | 177.2 | -70.6 | -86.1 | 0 | 0 | 0 | 113.1 | P690 G692 G693 N695 A698 L699 P705 | P690-F701 HydrophobicContact CB-CD1 3.67Å; P690-F701 HydrophobicContact CB-CE1 3.49Å; P690-F701 VanDerWaalsContact CB-CE1 3.49Å; P690-F701 HydrophobicContact CB-CG 4.48Å; P690-F701 HydrophobicContact CB-CZ 4.21Å; P690-F701 HydrophobicContact CG-CB 4.35Å; P690-F701 HydrophobicContact CG-CD1 3.39Å; P690-F701 HydrophobicContact CG-CD2 4.28Å; P690-F701 HydrophobicContact CG-CE1 3.64Å; P690-F701 HydrophobicContact CG-CG 3.75Å; P690-F701 HydrophobicContact CG-CZ 4.21Å; G692-F701 VanDerWaalsContact O-CD1 3.26Å; G692-F701 WeakPolarHBondContact O-CD1 3.29Å; G692-F701 WeakPolarHBondContact O-CE1 3.38Å; G693-F701 WeakPolarHBondContact O-CB 3.27Å; G693-F701 WeakPolarHBondContact O-CD1 3.43Å; N695-F701 HydrophobicContact CB-CD2 3.53Å; N695-F701 HydrophobicContact CB-CE1 4.5Å; N695-F701 HydrophobicContact CB-CE2 3.32Å; N695-F701 HydrophobicContact CB-CG 4.19Å; N695-F701 HydrophobicContact CB-CZ 3.88Å; A698-F701 HydrophobicContact CB-CD2 4.12Å; A698-F701 PolarHBondContact O-N 3.26Å; L699-F701 PolarHBondContact O-N 3.14Å; L699-F701 VanDerWaalsContact O-N 3.16Å; F701-P705 VanDerWaalsContact O-CD 3.31Å; F701-P705 WeakPolarHBondContact O-CD 3.5Å; F701-P705 WeakPolarHBondContact O-CG 3.38Å |
| 702 | M | 92.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.044 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -89.3 | -23.2 | 179.5 | -66.3 | -179.1 | 61.9 | 0 | 0 | 113.2 | K627 L628 A631 W694 G697 A698 L699 P705 M706 | K627-M702 HydrophobicContact CD-SD 4.45Å; K627-M702 HydrophobicContact CG-CE 3.99Å; K627-M702 HydrophobicContact CG-SD 4.5Å; L628-M702 HydrophobicContact CD1-CE 4.48Å; A631-M702 HydrophobicContact CB-CE 4.09Å; W694-M702 HydrophobicContact CE3-CG 4.47Å; W694-M702 HydrophobicContact CH2-CE 4.46Å; W694-M702 HydrophobicContact CH2-CG 4.43Å; W694-M702 HydrophobicContact CH2-SD 4.07Å; W694-M702 HydrophobicContact CZ3-CG 3.77Å; W694-M702 HydrophobicContact CZ3-SD 4.01Å; G697-M702 VanDerWaalsContact O-SD 3.42Å; A698-M702 PolarHBondContact O-N 2.89Å; L699-M702 PolarHBondContact O-N 3.47Å; M702-P705 WeakPolarHBondContact O-CD 3.37Å; M702-M706 WeakPolarHBondContact O-CB 3.13Å; M702-M706 PolarHBondContact O-N 3.33Å |
| 703 | I | 94.3 | Very high | 90.8 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.4 | -55.3 | -172.4 | -70.9 | 162.5 | 0 | 0 | 0 | 112.2 | L689 L699 M706 V707 | L689-I703 HydrophobicContact CD1-CB 4.06Å; L689-I703 HydrophobicContact CD1-CG2 3.59Å; L689-I703 HydrophobicContact CD2-CB 4.41Å; L689-I703 HydrophobicContact CD2-CD1 3.79Å; L699-I703 HydrophobicContact CG-CD1 4.34Å; L699-I703 HydrophobicContact CG-CG1 4.29Å; L699-I703 WeakPolarHBondContact O-CG1 3.38Å; L699-I703 PolarHBondContact O-N 2.84Å; L699-I703 VanDerWaalsContact O-N 3.08Å; I703-M706 PolarHBondContact O-N 3.12Å; I703-V707 HydrophobicContact CG2-CG2 4.4Å; I703-V707 WeakPolarHBondContact O-CB 3.15Å; I703-V707 VanDerWaalsContact O-CG2 3.29Å; I703-V707 WeakPolarHBondContact O-CG2 3.35Å; I703-V707 PolarHBondContact O-N 3.42Å |
| 704 | L | 93.8 | Very high | 91 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | -177.2 | -59.9 | -176 | 0 | 0 | 0 | 112.5 | L678 F682 L689 M706 V707 A708 Y782 | L678-L704 HydrophobicContact CB-CD2 4.33Å; F682-L704 HydrophobicContact CB-CD1 4.18Å; F682-L704 HydrophobicContact CB-CD2 3.8Å; F682-L704 HydrophobicContact CD2-CD2 3.84Å; F682-L704 HydrophobicContact CG-CD2 3.99Å; L689-L704 HydrophobicContact CB-CD1 4.02Å; L689-L704 HydrophobicContact CB-CD2 4.36Å; L689-L704 HydrophobicContact CB-CG 4.01Å; L689-L704 HydrophobicContact CD1-CD2 3.54Å; L689-L704 HydrophobicContact CD1-CG 3.89Å; L704-M706 PolarHBondContact O-N 3.15Å; L704-V707 PolarHBondContact O-N 3.28Å; L704-A708 WeakPolarHBondContact O-CB 3.49Å; L704-A708 PolarHBondContact O-N 3.42Å; L704-Y782 HydrophobicContact CB-CD1 4.38Å; L704-Y782 HydrophobicContact CB-CE1 3.4Å; L704-Y782 VanDerWaalsContact CB-CE1 3.4Å; L704-Y782 WeakPolarHBondContact CB-OH 3.38Å; L704-Y782 HydrophobicContact CD1-CE1 4.11Å; L704-Y782 HydrophobicContact CG-CE1 4.42Å; L704-Y782 PolarHBondContact O-OH 3.24Å |
| 705 | P | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -44.1 | 172.6 | -21.9 | 27.7 | 0 | 0 | 0 | 113.6 | L628 F701 M702 A708 L709 I778 Y782 L784 | L628-P705 HydrophobicContact CD1-CB 3.85Å; L628-P705 HydrophobicContact CD2-CB 4.11Å; F701-P705 VanDerWaalsContact O-CD 3.31Å; F701-P705 WeakPolarHBondContact O-CD 3.5Å; F701-P705 WeakPolarHBondContact O-CG 3.38Å; M702-P705 WeakPolarHBondContact O-CD 3.37Å; P705-A708 PolarHBondContact O-N 3.26Å; P705-L709 WeakPolarHBondContact O-CB 3.33Å; P705-L709 PolarHBondContact O-N 3Å; P705-I778 HydrophobicContact CB-CG2 3.69Å; P705-Y782 HydrophobicContact CB-CD2 3.95Å; P705-Y782 HydrophobicContact CB-CE2 4.26Å; P705-Y782 HydrophobicContact CB-CG 4.29Å; P705-Y782 HydrophobicContact CG-CD1 3.87Å; P705-Y782 HydrophobicContact CG-CD2 3.75Å; P705-Y782 HydrophobicContact CG-CE1 4.31Å; P705-Y782 HydrophobicContact CG-CE2 4.2Å; P705-Y782 HydrophobicContact CG-CG 3.59Å; P705-L784 HydrophobicContact CB-CD1 3.93Å; P705-L784 HydrophobicContact CG-CD1 3.92Å |
| 706 | M | 93 | Very high | 91.1 | Very high | 29 Ų | 29 | 34.8 Ų | 34.8 | 14% | 0.143 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | -178.4 | 178.6 | -174.8 | 59.6 | 0 | 0 | 111.7 | L628 A631 A632 L635 M702 I703 L704 S710 | L628-M706 HydrophobicContact CD1-CB 4.11Å; A631-M706 HydrophobicContact CB-CG 4.33Å; A631-M706 HydrophobicContact CB-SD 3.73Å; A632-M706 HydrophobicContact CB-CG 4.1Å; L635-M706 HydrophobicContact CD2-CE 4Å; L635-M706 HydrophobicContact CD2-CG 3.86Å; L635-M706 HydrophobicContact CD2-SD 4.13Å; M702-M706 WeakPolarHBondContact O-CB 3.13Å; M702-M706 PolarHBondContact O-N 3.33Å; I703-M706 PolarHBondContact O-N 3.12Å; L704-M706 PolarHBondContact O-N 3.15Å; M706-S710 VanDerWaalsContact O-CB 3.28Å; M706-S710 WeakPolarHBondContact O-CB 3.46Å; M706-S710 PolarHBondContact O-N 2.8Å; M706-S710 PolarHBondContact O-OG 3.14Å |
| 707 | V | 92.5 | Very high | 91.5 | Very high | 46 Ų | 46 | 31.7 Ų | 31.7 | 28% | 0.279 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.5 | -49.2 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | L635 L678 I703 L704 L709 S710 L711 | L635-V707 HydrophobicContact CD2-CG2 4.38Å; L678-V707 HydrophobicContact CD1-CB 4.45Å; L678-V707 HydrophobicContact CD1-CG1 4.11Å; I703-V707 HydrophobicContact CG2-CG2 4.4Å; I703-V707 WeakPolarHBondContact O-CB 3.15Å; I703-V707 VanDerWaalsContact O-CG2 3.29Å; I703-V707 WeakPolarHBondContact O-CG2 3.35Å; I703-V707 PolarHBondContact O-N 3.42Å; L704-V707 PolarHBondContact O-N 3.28Å; V707-L709 VanDerWaalsContact C-N 3.3Å; V707-L709 PolarHBondContact O-N 3.08Å; V707-S710 PolarHBondContact O-N 3.34Å; V707-S710 PolarHBondContact O-OG 3.03Å; V707-S710 VanDerWaalsContact O-OG 3.1Å; V707-L711 HydrophobicContact CG1-CD1 4.31Å; V707-L711 VanDerWaalsContact O-CG 3.31Å; V707-L711 WeakPolarHBondContact O-CG 3.09Å; V707-L711 PolarHBondContact O-N 3.39Å |
| 708 | A | 91.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.9 | -43.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V674 A675 L678 L704 P705 I778 Y782 | V674-A708 HydrophobicContact CG1-CB 4.44Å; A675-A708 HydrophobicContact CB-CB 4.25Å; L678-A708 HydrophobicContact CD1-CB 3.88Å; L704-A708 WeakPolarHBondContact O-CB 3.49Å; L704-A708 PolarHBondContact O-N 3.42Å; P705-A708 PolarHBondContact O-N 3.26Å; A708-I778 HydrophobicContact CB-CD1 3.57Å; A708-Y782 HydrophobicContact CB-CE2 4.29Å |
| 709 | L | 90.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72 | -33.9 | -178.2 | -171.6 | 60.5 | 0 | 0 | 0 | 112.8 | L628 A632 P705 V707 Y713 I771 I778 | L628-L709 HydrophobicContact CD2-CD2 4.38Å; L628-L709 HydrophobicContact CG-CD2 4.26Å; A632-L709 HydrophobicContact CB-CB 4.15Å; A632-L709 HydrophobicContact CB-CD2 3.89Å; A632-L709 HydrophobicContact CB-CG 4.11Å; P705-L709 WeakPolarHBondContact O-CB 3.33Å; P705-L709 PolarHBondContact O-N 3Å; V707-L709 VanDerWaalsContact C-N 3.3Å; V707-L709 PolarHBondContact O-N 3.08Å; L709-Y713 VanDerWaalsContact O-CD2 3.29Å; L709-Y713 WeakPolarHBondContact O-CD2 3.26Å; L709-I771 HydrophobicContact CD2-CG2 3.78Å; L709-I771 HydrophobicContact CG-CG2 4.08Å; L709-I778 HydrophobicContact CB-CG1 4.34Å; L709-I778 HydrophobicContact CD1-CG1 4.16Å |
| 710 | S | 92.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -80.7 | -24.3 | -175.7 | 59 | 0 | 0 | 0 | 0 | 114.5 | A632 L635 M706 V707 A712 Y713 I714 | A632-S710 WeakPolarHBondContact O-CB 3.37Å; L635-S710 WeakPolarHBondContact CD2-OG 3.43Å; M706-S710 VanDerWaalsContact O-CB 3.28Å; M706-S710 WeakPolarHBondContact O-CB 3.46Å; M706-S710 PolarHBondContact O-N 2.8Å; M706-S710 PolarHBondContact O-OG 3.14Å; V707-S710 PolarHBondContact O-N 3.34Å; V707-S710 PolarHBondContact O-OG 3.03Å; V707-S710 VanDerWaalsContact O-OG 3.1Å; S710-A712 PolarHBondContact O-N 3.32Å; S710-Y713 CarbonylContact O-C 3.52Å; S710-Y713 PolarHBondContact O-N 3.17Å; S710-I714 VanDerWaalsContact O-CG1 3.32Å; S710-I714 WeakPolarHBondContact O-CG1 2.81Å; S710-I714 PolarHBondContact O-N 2.98Å |
| 711 | L | 90.3 | Very high | 91.8 | Very high | 51 Ų | 51 | 27.7 Ų | 27.7 | 27% | 0.267 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -54.7 | -46.7 | -170.3 | -80.8 | 162.9 | 0 | 0 | 0 | 115 | V674 V707 Y713 I714 A715 | V674-L711 HydrophobicContact CG1-CD1 3.61Å; V707-L711 HydrophobicContact CG1-CD1 4.31Å; V707-L711 VanDerWaalsContact O-CG 3.31Å; V707-L711 WeakPolarHBondContact O-CG 3.09Å; V707-L711 PolarHBondContact O-N 3.39Å; L711-Y713 VanDerWaalsContact C-N 3.29Å; L711-Y713 PolarHBondContact O-N 3.26Å; L711-I714 PolarHBondContact O-N 3.48Å; L711-A715 PolarHBondContact O-N 3.42Å; L711-A715 VanDerWaalsContact O-N 3.15Å |
| 712 | A | 87.2 | Confident | 91.8 | Very high | 39 Ų | 39 | 28.6 Ų | 28.6 | 32% | 0.322 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.1 | -32.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G666 S710 A715 S716 | G666-A712 WeakPolarHBondContact O-CA 3.09Å; G666-A712 WeakPolarHBondContact O-CB 3.23Å; G666-A712 PolarHBondContact O-N 2.72Å; S710-A712 PolarHBondContact O-N 3.32Å; A712-A715 WeakPolarHBondContact O-CB 3.34Å; A712-S716 PolarHBondContact O-N 2.97Å; A712-S716 PolarHBondContact O-OG 3.07Å |
| 713 | Y | 92 | Very high | 91.4 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 17% | 0.169 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -79.3 | -37.3 | 178.3 | -62.4 | -82.4 | 0 | 0 | 0 | 112 | L709 S710 L711 A715 S716 I717 Y763 A767 G770 I771 | L709-Y713 VanDerWaalsContact O-CD2 3.29Å; L709-Y713 WeakPolarHBondContact O-CD2 3.26Å; S710-Y713 CarbonylContact O-C 3.52Å; S710-Y713 PolarHBondContact O-N 3.17Å; L711-Y713 VanDerWaalsContact C-N 3.29Å; L711-Y713 PolarHBondContact O-N 3.26Å; Y713-A715 VanDerWaalsContact C-N 3.25Å; Y713-A715 PolarHBondContact O-N 3.23Å; Y713-S716 PolarHBondContact O-N 3.17Å; Y713-I717 WeakPolarHBondContact O-CB 3.43Å; Y713-I717 VanDerWaalsContact O-CG1 3.24Å; Y713-I717 WeakPolarHBondContact O-CG1 3.4Å; Y713-I717 PolarHBondContact O-N 3.17Å; Y713-Y763 HydrophobicContact CD1-CE1 4.43Å; Y713-A767 HydrophobicContact CD1-CB 3.72Å; Y713-A767 HydrophobicContact CE1-CB 3.99Å; Y713-G770 PolarHBondContact OH-O 2.99Å; Y713-I771 HydrophobicContact CD1-CD1 4.06Å; Y713-I771 HydrophobicContact CD1-CG1 3.96Å; Y713-I771 HydrophobicContact CD2-CD1 3.69Å; Y713-I771 HydrophobicContact CD2-CG1 3.33Å; Y713-I771 HydrophobicContact CE1-CD1 4.43Å; Y713-I771 HydrophobicContact CE1-CG1 3.85Å; Y713-I771 HydrophobicContact CE2-CB 4.35Å; Y713-I771 HydrophobicContact CE2-CD1 4.1Å; Y713-I771 HydrophobicContact CE2-CG1 3.2Å; Y713-I771 HydrophobicContact CG-CD1 3.66Å; Y713-I771 HydrophobicContact CG-CG1 3.7Å; Y713-I771 VanDerWaalsContact CZ-CG1 3.47Å; Y713-I771 PolarHBondContact OH-N 3.38Å |
| 714 | I | 93.8 | Very high | 91 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.4 | -48.8 | 170.3 | -69.9 | 167.9 | 0 | 0 | 0 | 109.3 | A636 L639 G640 S710 L711 A718 | A636-I714 HydrophobicContact CB-CG1 4.14Å; L639-I714 HydrophobicContact CB-CD1 4.01Å; L639-I714 HydrophobicContact CB-CG1 4.04Å; L639-I714 HydrophobicContact CB-CG2 4.13Å; L639-I714 HydrophobicContact CD1-CD1 3.72Å; L639-I714 HydrophobicContact CG-CD1 4.48Å; G640-I714 WeakPolarHBondContact CA-O 3.49Å; S710-I714 VanDerWaalsContact O-CG1 3.32Å; S710-I714 WeakPolarHBondContact O-CG1 2.81Å; S710-I714 PolarHBondContact O-N 2.98Å; L711-I714 PolarHBondContact O-N 3.48Å; I714-A718 WeakPolarHBondContact O-CB 3.14Å; I714-A718 PolarHBondContact O-N 2.78Å |
| 715 | A | 89.8 | Confident | 90.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A663 M664 V667 L711 A712 Y713 A718 R719 | A663-A715 WeakPolarHBondContact O-CB 3.31Å; M664-A715 HydrophobicContact CE-CB 3.76Å; M664-A715 VanDerWaalsContact CE-O 3.3Å; M664-A715 WeakPolarHBondContact CE-O 3.4Å; V667-A715 HydrophobicContact CG2-CB 3.41Å; V667-A715 VanDerWaalsContact CG2-CB 3.41Å; L711-A715 PolarHBondContact O-N 3.42Å; L711-A715 VanDerWaalsContact O-N 3.15Å; A712-A715 WeakPolarHBondContact O-CB 3.34Å; Y713-A715 VanDerWaalsContact C-N 3.25Å; Y713-A715 PolarHBondContact O-N 3.23Å; A715-A718 PolarHBondContact O-N 2.86Å; A715-R719 WeakPolarHBondContact O-CB 3.41Å; A715-R719 PolarHBondContact O-N 2.79Å |
| 716 | S | 90.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 22% | 0.217 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.2 | -47.2 | -178.9 | -60 | 0 | 0 | 0 | 0 | 111.2 | A712 Y713 A718 R719 I720 Y763 | A712-S716 PolarHBondContact O-N 2.97Å; A712-S716 PolarHBondContact O-OG 3.07Å; Y713-S716 PolarHBondContact O-N 3.17Å; S716-A718 PolarHBondContact O-N 3.48Å; S716-R719 PolarHBondContact O-N 2.75Å; S716-I720 WeakPolarHBondContact O-CG1 3.43Å; S716-I720 PolarHBondContact O-N 3.07Å; S716-Y763 WeakPolarHBondContact CB-OH 3.43Å; S716-Y763 PolarHBondContact OG-OH 2.86Å |
| 717 | I | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 176.5 | -66.8 | 169.2 | 0 | 0 | 0 | 110.7 | A636 V637 V641 Y713 R719 I720 T721 V760 Y763 | A636-I717 HydrophobicContact CB-CD1 4.13Å; V637-I717 HydrophobicContact CG2-CD1 3.93Å; V641-I717 HydrophobicContact CG2-CG2 3.78Å; Y713-I717 WeakPolarHBondContact O-CB 3.43Å; Y713-I717 VanDerWaalsContact O-CG1 3.24Å; Y713-I717 WeakPolarHBondContact O-CG1 3.4Å; Y713-I717 PolarHBondContact O-N 3.17Å; I717-R719 PolarHBondContact O-N 2.86Å; I717-I720 PolarHBondContact O-N 3.23Å; I717-T721 VanDerWaalsContact O-CB 3.22Å; I717-T721 WeakPolarHBondContact O-CB 3.42Å; I717-T721 PolarHBondContact O-N 2.87Å; I717-T721 PolarHBondContact O-OG1 3.48Å; I717-V760 HydrophobicContact CG2-CG1 3.92Å; I717-Y763 HydrophobicContact CG1-CD1 3.86Å; I717-Y763 HydrophobicContact CG1-CE1 3.9Å |
| 718 | A | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G640 A643 G644 A663 I714 A715 S716 R722 | G640-A718 WeakPolarHBondContact O-CA 3.41Å; G640-A718 WeakPolarHBondContact O-CB 3.3Å; A643-A718 HydrophobicContact CB-CB 3.9Å; G644-A718 VanDerWaalsContact CA-O 3.26Å; G644-A718 WeakPolarHBondContact CA-O 3.3Å; A663-A718 HydrophobicContact CB-CB 4.38Å; I714-A718 WeakPolarHBondContact O-CB 3.14Å; I714-A718 PolarHBondContact O-N 2.78Å; A715-A718 PolarHBondContact O-N 2.86Å; S716-A718 PolarHBondContact O-N 3.48Å; A718-R722 WeakPolarHBondContact O-CB 3.37Å; A718-R722 PolarHBondContact O-N 2.92Å |
| 719 | R | 89.2 | Confident | 89.3 | Confident | 151 Ų | 151 | 31 Ų | 31 | 57% | 0.57 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -63.2 | -48.1 | 177.6 | -174.6 | -172.5 | -79.3 | -173.9 | -8.4 | 111.5 | M660 M664 A715 S716 I717 R722 G723 | M660-R719 HydrophobicContact CE-CB 3.96Å; M660-R719 HydrophobicContact CE-CG 4.38Å; M664-R719 HydrophobicContact CE-CB 4.24Å; M664-R719 VanDerWaalsContact SD-CZ 3.56Å; M664-R719 PolarHBondContact SD-NH2 3.4Å; A715-R719 WeakPolarHBondContact O-CB 3.41Å; A715-R719 PolarHBondContact O-N 2.79Å; S716-R719 PolarHBondContact O-N 2.75Å; I717-R719 PolarHBondContact O-N 2.86Å; R719-R722 PolarHBondContact O-N 3.39Å; R719-G723 PolarHBondContact O-N 3.18Å; R719-G723 VanDerWaalsContact O-N 3.08Å |
| 720 | I | 88.5 | Confident | 89.1 | Confident | 46 Ų | 46 | 37 Ų | 37 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -51.8 | 178.8 | -64.6 | 167.1 | 0 | 0 | 0 | 109.8 | S716 I717 R722 G723 S724 P759 V760 Y763 | S716-I720 WeakPolarHBondContact O-CG1 3.43Å; S716-I720 PolarHBondContact O-N 3.07Å; I717-I720 PolarHBondContact O-N 3.23Å; I720-R722 VanDerWaalsContact C-N 3.3Å; I720-R722 PolarHBondContact O-N 3.06Å; I720-G723 PolarHBondContact O-N 2.98Å; I720-G723 VanDerWaalsContact O-N 3.14Å; I720-S724 PolarHBondContact O-N 3.25Å; I720-S724 PolarHBondContact O-OG 3.34Å; I720-P759 HydrophobicContact CG2-CB 3.8Å; I720-V760 HydrophobicContact CB-CG2 4.45Å; I720-V760 HydrophobicContact CG2-CG2 3.83Å; I720-Y763 HydrophobicContact CD1-CD1 3.9Å; I720-Y763 HydrophobicContact CD1-CD2 3.97Å; I720-Y763 HydrophobicContact CD1-CG 3.54Å |
| 721 | T | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -42.6 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | V641 V645 I717 M725 V760 | V641-T721 HydrophobicContact CB-CG2 4.45Å; V641-T721 HydrophobicContact CG1-CG2 4.09Å; V645-T721 HydrophobicContact CG2-CG2 3.96Å; I717-T721 VanDerWaalsContact O-CB 3.22Å; I717-T721 WeakPolarHBondContact O-CB 3.42Å; I717-T721 PolarHBondContact O-N 2.87Å; I717-T721 PolarHBondContact O-OG1 3.48Å; T721-M725 HydrophobicContact CG2-CG 3.94Å; T721-M725 WeakPolarHBondContact O-CB 3.34Å; T721-M725 WeakPolarHBondContact O-CG 3.49Å; T721-M725 PolarHBondContact O-N 3.08Å; T721-V760 VanDerWaalsContact OG1-CG2 3.28Å; T721-V760 WeakPolarHBondContact OG1-CG2 3.45Å |
| 722 | R | 92.6 | Very high | 87.8 | Confident | 55 Ų | 55 | 37.1 Ų | 37.1 | 21% | 0.208 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 177.3 | 178.9 | -173.8 | 173.9 | -80.2 | 2.9 | 111.3 | G644 A647 A648 D656 M660 A718 R719 I720 I726 | G644-R722 WeakPolarHBondContact O-CA 3.11Å; A647-R722 HydrophobicContact CB-CB 4.48Å; A647-R722 HydrophobicContact CB-CG 3.99Å; A648-R722 HydrophobicContact CB-CG 4.3Å; D656-R722 IonicContact OD1-CZ 3.61Å; D656-R722 IonicContact OD1-NE 3.54Å; D656-R722 PolarHBondContact OD1-NE 3.32Å; D656-R722 IonicContact OD1-NH2 3.65Å; D656-R722 PolarHBondContact OD1-NH2 2.91Å; D656-R722 IonicContact OD2-CZ 3.21Å; D656-R722 IonicContact OD2-NE 2.6Å; D656-R722 PolarHBondContact OD2-NE 2.97Å; D656-R722 IonicContact OD2-NH2 3.07Å; D656-R722 PolarHBondContact OD2-NH2 3.4Å; M660-R722 HydrophobicContact SD-CB 4.41Å; M660-R722 VanDerWaalsContact SD-CD 3.57Å; A718-R722 WeakPolarHBondContact O-CB 3.37Å; A718-R722 PolarHBondContact O-N 2.92Å; R719-R722 PolarHBondContact O-N 3.39Å; I720-R722 VanDerWaalsContact C-N 3.3Å; I720-R722 PolarHBondContact O-N 3.06Å; R722-I726 HydrophobicContact CG-CD1 3.85Å; R722-I726 WeakPolarHBondContact O-CB 3.22Å; R722-I726 WeakPolarHBondContact O-CD1 3.5Å; R722-I726 VanDerWaalsContact O-CG1 3.24Å; R722-I726 WeakPolarHBondContact O-CG1 3.34Å; R722-I726 PolarHBondContact O-N 3.37Å |
| 723 | G | 84.6 | Confident | 87.5 | Confident | 36 Ų | 36 | 38 Ų | 38 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.1 | -54.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R719 I720 M725 I726 E727 | R719-G723 PolarHBondContact O-N 3.18Å; R719-G723 VanDerWaalsContact O-N 3.08Å; I720-G723 PolarHBondContact O-N 2.98Å; I720-G723 VanDerWaalsContact O-N 3.14Å; G723-M725 PolarHBondContact O-N 2.9Å; G723-I726 PolarHBondContact O-N 3.33Å; G723-E727 PolarHBondContact O-N 2.62Å; G723-E727 VanDerWaalsContact O-N 3.15Å |
| 724 | S | 86.7 | Confident | 87.2 | Confident | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | -178.5 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | I720 E727 V728 A756 P759 | I720-S724 PolarHBondContact O-N 3.25Å; I720-S724 PolarHBondContact O-OG 3.34Å; S724-E727 PolarHBondContact O-N 3.3Å; S724-V728 WeakPolarHBondContact O-CB 3.48Å; S724-V728 WeakPolarHBondContact O-CG2 3.32Å; S724-V728 PolarHBondContact O-N 2.75Å; S724-A756 WeakPolarHBondContact CB-O 3.31Å; S724-P759 WeakPolarHBondContact OG-CG 3.48Å |
| 725 | M | 91.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 175.1 | -80.4 | -65.7 | -58.3 | 0 | 0 | 112.2 | V645 A648 T721 G723 L729 I748 A752 L753 A756 | V645-M725 HydrophobicContact CG1-CE 4.46Å; V645-M725 HydrophobicContact CG2-CE 4.42Å; V645-M725 HydrophobicContact CG2-CG 4.01Å; V645-M725 HydrophobicContact CG2-SD 4.27Å; A648-M725 HydrophobicContact CB-CB 3.43Å; A648-M725 VanDerWaalsContact CB-CB 3.43Å; A648-M725 HydrophobicContact CB-CG 4.48Å; T721-M725 HydrophobicContact CG2-CG 3.94Å; T721-M725 WeakPolarHBondContact O-CB 3.34Å; T721-M725 WeakPolarHBondContact O-CG 3.49Å; T721-M725 PolarHBondContact O-N 3.08Å; G723-M725 PolarHBondContact O-N 2.9Å; M725-L729 HydrophobicContact CE-CD1 4.13Å; M725-L729 HydrophobicContact CE-CD2 4.48Å; M725-L729 HydrophobicContact CE-CG 4.22Å; M725-L729 VanDerWaalsContact O-CB 3.23Å; M725-L729 WeakPolarHBondContact O-CB 3.43Å; M725-L729 WeakPolarHBondContact O-CD1 3.33Å; M725-L729 WeakPolarHBondContact O-CG 2.99Å; M725-L729 PolarHBondContact O-N 2.97Å; M725-I748 HydrophobicContact CE-CG2 4.35Å; M725-A752 HydrophobicContact CE-CB 3.76Å; M725-A752 HydrophobicContact SD-CB 4.22Å; M725-L753 HydrophobicContact SD-CD1 4.07Å; M725-A756 HydrophobicContact CB-CB 4.41Å; M725-A756 HydrophobicContact CG-CB 3.72Å; M725-A756 HydrophobicContact SD-CB 3.37Å; M725-A756 WeakPolarHBondContact SD-CB 3.2Å |
| 726 | I | 88.8 | Confident | 86.2 | Confident | 22 Ų | 22 | 46 Ų | 46 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 176.3 | -74.2 | 165.5 | 0 | 0 | 0 | 109.8 | A648 Q651 R722 G723 L729 H730 | A648-I726 HydrophobicContact CB-CG1 3.8Å; Q651-I726 HydrophobicContact CB-CD1 4.37Å; Q651-I726 HydrophobicContact CG-CD1 3.83Å; Q651-I726 HydrophobicContact CG-CG1 4.33Å; R722-I726 HydrophobicContact CG-CD1 3.85Å; R722-I726 WeakPolarHBondContact O-CB 3.22Å; R722-I726 WeakPolarHBondContact O-CD1 3.5Å; R722-I726 VanDerWaalsContact O-CG1 3.24Å; R722-I726 WeakPolarHBondContact O-CG1 3.34Å; R722-I726 PolarHBondContact O-N 3.37Å; G723-I726 PolarHBondContact O-N 3.33Å; I726-L729 PolarHBondContact O-N 2.98Å; I726-H730 PolarHBondContact O-N 3.17Å; I726-H730 PolarHBondContact O-ND1 2.93Å |
| 727 | E | 75.8 | Confident | 85.9 | Confident | 106 Ų | 106 | 44.9 Ų | 44.9 | 50% | 0.495 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.2 | -50.9 | 179.4 | -177.3 | 174.5 | -169.8 | 0 | 0 | 111.6 | G723 S724 L729 H730 S731 | G723-E727 PolarHBondContact O-N 2.62Å; G723-E727 VanDerWaalsContact O-N 3.15Å; S724-E727 PolarHBondContact O-N 3.3Å; E727-L729 VanDerWaalsContact C-N 3.32Å; E727-L729 PolarHBondContact O-N 3.14Å; E727-H730 PolarHBondContact O-N 3.28Å; E727-H730 VanDerWaalsContact O-N 3.1Å; E727-S731 PolarHBondContact O-N 3.39Å |
| 728 | V | 84.4 | Confident | 85.6 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 178 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | S724 H730 S731 F733 I734 A752 P755 A756 F835 | S724-V728 WeakPolarHBondContact O-CB 3.48Å; S724-V728 WeakPolarHBondContact O-CG2 3.32Å; S724-V728 PolarHBondContact O-N 2.75Å; V728-H730 PolarHBondContact O-N 3.37Å; V728-S731 VanDerWaalsContact O-CB 3.25Å; V728-S731 WeakPolarHBondContact O-CB 3.18Å; V728-S731 PolarHBondContact O-N 3.09Å; V728-S731 PolarHBondContact O-OG 3.49Å; V728-F733 HydrophobicContact CG1-CE1 4.4Å; V728-F733 HydrophobicContact CG1-CZ 3.77Å; V728-I734 HydrophobicContact CG1-CD1 4.46Å; V728-I734 HydrophobicContact CG1-CG1 4.12Å; V728-I734 WeakPolarHBondContact O-CG1 3.5Å; V728-A752 HydrophobicContact CG1-CB 3.95Å; V728-P755 HydrophobicContact CG1-CG 3.85Å; V728-P755 HydrophobicContact CG2-CB 4.12Å; V728-P755 HydrophobicContact CG2-CG 4.04Å; V728-A756 HydrophobicContact CG2-CB 4.04Å; V728-F835 HydrophobicContact CB-CE1 4.49Å; V728-F835 HydrophobicContact CG2-CD1 4.19Å; V728-F835 HydrophobicContact CG2-CE1 3.58Å; V728-F835 HydrophobicContact CG2-CZ 4.28Å |
| 729 | L | 87.6 | Confident | 85.4 | Confident | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -20.3 | 179.5 | -74.6 | 168.4 | 0 | 0 | 0 | 113.4 | L649 M725 I726 E727 I734 M744 A752 | L649-L729 HydrophobicContact CD2-CD1 3.85Å; L649-L729 HydrophobicContact CD2-CD2 4.43Å; M725-L729 HydrophobicContact CE-CD1 4.13Å; M725-L729 HydrophobicContact CE-CD2 4.48Å; M725-L729 HydrophobicContact CE-CG 4.22Å; M725-L729 VanDerWaalsContact O-CB 3.23Å; M725-L729 WeakPolarHBondContact O-CB 3.43Å; M725-L729 WeakPolarHBondContact O-CD1 3.33Å; M725-L729 WeakPolarHBondContact O-CG 2.99Å; M725-L729 PolarHBondContact O-N 2.97Å; I726-L729 PolarHBondContact O-N 2.98Å; E727-L729 VanDerWaalsContact C-N 3.32Å; E727-L729 PolarHBondContact O-N 3.14Å; L729-I734 HydrophobicContact CD2-CG2 4.3Å; L729-M744 HydrophobicContact CD2-CE 4.47Å; L729-A752 HydrophobicContact CD2-CB 4.08Å |
| 730 | H | 84.9 | Confident | 85.4 | Confident | 137 Ų | 137 | 55.8 Ų | 55.8 | 63% | 0.634 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -4.6 | 174 | -69.7 | 95.1 | 0 | 0 | 0 | 113.6 | I726 E727 V728 | I726-H730 PolarHBondContact O-N 3.17Å; I726-H730 PolarHBondContact O-ND1 2.93Å; E727-H730 PolarHBondContact O-N 3.28Å; E727-H730 VanDerWaalsContact O-N 3.1Å; V728-H730 PolarHBondContact O-N 3.37Å |
| 731 | S | 77.1 | Confident | 85.5 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -69.8 | 153.2 | 176.4 | 71.1 | 0 | 0 | 0 | 0 | 112.7 | E727 V728 F733 I734 R735 | E727-S731 PolarHBondContact O-N 3.39Å; V728-S731 VanDerWaalsContact O-CB 3.25Å; V728-S731 WeakPolarHBondContact O-CB 3.18Å; V728-S731 PolarHBondContact O-N 3.09Å; V728-S731 PolarHBondContact O-OG 3.49Å; S731-F733 PolarHBondContact O-N 3.42Å; S731-F733 WeakPolarHBondContact OG-CD1 3.49Å; S731-F733 WeakPolarHBondContact OG-CE1 2.8Å; S731-I734 PolarHBondContact O-N 2.93Å; S731-I734 WeakPolarHBondContact OG-CG1 3.45Å; S731-R735 PolarHBondContact O-N 3.47Å |
| 732 | N | 78.3 | Confident | 85.3 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.5 | -37.1 | -175 | -70.6 | -34.3 | 0 | 0 | 0 | 113.4 | E208 I734 R735 T736 | E208-N732 WeakPolarHBondContact OE2-CB 3.41Å; E208-N732 PolarHBondContact OE2-ND2 2.92Å; N732-I734 PolarHBondContact O-N 3.24Å; N732-R735 CarbonylContact O-C 3.47Å; N732-R735 WeakPolarHBondContact O-CA 3.42Å; N732-R735 WeakPolarHBondContact O-CB 3.42Å; N732-R735 PolarHBondContact O-N 2.91Å; N732-R735 PolarHBondContact OD1-NH2 3.37Å; N732-T736 PolarHBondContact O-N 3Å; N732-T736 PolarHBondContact O-OG1 3.17Å; N732-T736 VanDerWaalsContact O-OG1 3.11Å |
| 733 | F | 80.7 | Confident | 85.3 | Confident | 58 Ų | 58 | 60 Ų | 60 | 25% | 0.254 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -28.7 | 179.3 | 75.5 | -85.9 | 0 | 0 | 0 | 112.2 | V728 S731 A737 H751 P755 F835 | V728-F733 HydrophobicContact CG1-CE1 4.4Å; V728-F733 HydrophobicContact CG1-CZ 3.77Å; S731-F733 PolarHBondContact O-N 3.42Å; S731-F733 WeakPolarHBondContact OG-CD1 3.49Å; S731-F733 WeakPolarHBondContact OG-CE1 2.8Å; F733-A737 VanDerWaalsContact O-CB 3.31Å; F733-A737 WeakPolarHBondContact O-CB 3.45Å; F733-A737 PolarHBondContact O-N 3.23Å; F733-H751 HydrophobicContact CD2-CB 4.39Å; F733-H751 HydrophobicContact CE2-CB 3.97Å; F733-H751 VanDerWaalsContact CE2-O 3.26Å; F733-H751 WeakPolarHBondContact CE2-O 3.28Å; F733-P755 HydrophobicContact CZ-CG 4.15Å; F733-F835 AromaticContact CD1-CE2 3.82Å; F733-F835 HydrophobicContact CD1-CE2 3.82Å; F733-F835 HydrophobicContact CD1-CZ 4.38Å; F733-F835 HydrophobicContact CE1-CD2 4.06Å; F733-F835 AromaticContact CE1-CE2 3.1Å; F733-F835 HydrophobicContact CE1-CE2 3.1Å; F733-F835 AromaticContact CE1-CZ 3.44Å; F733-F835 HydrophobicContact CE1-CZ 3.44Å; F733-F835 VanDerWaalsContact CE1-CZ 3.44Å; F733-F835 AromaticContact CZ-CE2 3.91Å; F733-F835 HydrophobicContact CZ-CE2 3.91Å; F733-F835 HydrophobicContact CZ-CZ 4.17Å |
| 734 | I | 86.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.5 | -43 | 169.4 | -64.6 | -60.4 | 0 | 0 | 0 | 110.7 | V728 L729 S731 N732 T736 A737 R738 I747 H751 A752 | V728-I734 HydrophobicContact CG1-CD1 4.46Å; V728-I734 HydrophobicContact CG1-CG1 4.12Å; V728-I734 WeakPolarHBondContact O-CG1 3.5Å; L729-I734 HydrophobicContact CD2-CG2 4.3Å; S731-I734 PolarHBondContact O-N 2.93Å; S731-I734 WeakPolarHBondContact OG-CG1 3.45Å; N732-I734 PolarHBondContact O-N 3.24Å; I734-T736 VanDerWaalsContact C-N 3.33Å; I734-T736 PolarHBondContact O-N 3.36Å; I734-A737 PolarHBondContact O-N 3.48Å; I734-R738 WeakPolarHBondContact O-CG 3.26Å; I734-R738 PolarHBondContact O-N 3.32Å; I734-I747 HydrophobicContact CD1-CG2 3.71Å; I734-I747 HydrophobicContact CG2-CG2 3.83Å; I734-H751 HydrophobicContact CD1-CB 3.64Å; I734-A752 HydrophobicContact CD1-CB 3.89Å |
| 735 | R | 81.2 | Confident | 85.8 | Confident | 165 Ų | 165 | 70.9 Ų | 70.9 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | 173.8 | -172.6 | 175 | 67.7 | -172.8 | -0.1 | 111.5 | S731 N732 R738 A739 | S731-R735 PolarHBondContact O-N 3.47Å; N732-R735 CarbonylContact O-C 3.47Å; N732-R735 WeakPolarHBondContact O-CA 3.42Å; N732-R735 WeakPolarHBondContact O-CB 3.42Å; N732-R735 PolarHBondContact O-N 2.91Å; N732-R735 PolarHBondContact OD1-NH2 3.37Å; R735-R738 PolarHBondContact O-N 3.31Å; R735-A739 PolarHBondContact O-N 3.37Å |
| 736 | T | 81.3 | Confident | 85.7 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | N732 I734 R738 A739 K740 | N732-T736 PolarHBondContact O-N 3Å; N732-T736 PolarHBondContact O-OG1 3.17Å; N732-T736 VanDerWaalsContact O-OG1 3.11Å; I734-T736 VanDerWaalsContact C-N 3.33Å; I734-T736 PolarHBondContact O-N 3.36Å; T736-R738 VanDerWaalsContact C-N 3.3Å; T736-R738 PolarHBondContact O-N 2.88Å; T736-A739 PolarHBondContact O-N 3.48Å; T736-K740 WeakPolarHBondContact O-CG 3.2Å; T736-K740 PolarHBondContact O-N 3.23Å |
| 737 | A | 84.7 | Confident | 85.7 | Confident | 7 Ų | 7 | 75.6 Ų | 75.6 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F733 I734 K740 L742 I747 | F733-A737 VanDerWaalsContact O-CB 3.31Å; F733-A737 WeakPolarHBondContact O-CB 3.45Å; F733-A737 PolarHBondContact O-N 3.23Å; I734-A737 PolarHBondContact O-N 3.48Å; A737-K740 PolarHBondContact O-N 2.94Å; A737-L742 HydrophobicContact CB-CD1 3.76Å; A737-L742 WeakPolarHBondContact O-CB 3.07Å; A737-L742 PolarHBondContact O-N 2.79Å; A737-I747 HydrophobicContact CB-CD1 4.06Å; A737-I747 HydrophobicContact CB-CG1 4.04Å |
| 738 | R | 87 | Confident | 86.4 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 172.5 | -68.9 | -178.9 | -171.9 | 172.4 | 9 | 111.7 | I734 R735 T736 K740 G741 I747 | I734-R738 WeakPolarHBondContact O-CG 3.26Å; I734-R738 PolarHBondContact O-N 3.32Å; R735-R738 PolarHBondContact O-N 3.31Å; T736-R738 VanDerWaalsContact C-N 3.3Å; T736-R738 PolarHBondContact O-N 2.88Å; R738-K740 VanDerWaalsContact C-N 3.3Å; R738-K740 PolarHBondContact O-N 2.83Å; R738-G741 PolarHBondContact O-N 3.35Å; R738-I747 HydrophobicContact CB-CD1 4.26Å; R738-I747 HydrophobicContact CG-CD1 3.52Å |
| 739 | A | 88.5 | Confident | 86.5 | Confident | 90 Ų | 90 | 76.2 Ų | 76.2 | 74% | 0.744 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.6 | -33.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | R735 T736 G741 | R735-A739 PolarHBondContact O-N 3.37Å; T736-A739 PolarHBondContact O-N 3.48Å; A739-G741 PolarHBondContact O-N 3.13Å |
| 740 | K | 89.5 | Confident | 86.4 | Confident | 167 Ų | 167 | 83.7 Ų | 83.7 | 73% | 0.726 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 1.7 | 172.1 | -71.8 | -174.3 | 176.5 | -175.2 | 0 | 114 | T736 A737 R738 L742 | T736-K740 WeakPolarHBondContact O-CG 3.2Å; T736-K740 PolarHBondContact O-N 3.23Å; A737-K740 PolarHBondContact O-N 2.94Å; R738-K740 VanDerWaalsContact C-N 3.3Å; R738-K740 PolarHBondContact O-N 2.83Å; K740-L742 VanDerWaalsContact C-N 3.33Å; K740-L742 PolarHBondContact O-N 3.36Å |
| 741 | G | 90.2 | Very high | 86.3 | Confident | 62 Ų | 62 | 80.3 Ų | 80.3 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 18 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R738 A739 | R738-G741 PolarHBondContact O-N 3.35Å; A739-G741 PolarHBondContact O-N 3.13Å |
| 742 | L | 90.2 | Very high | 86.7 | Confident | 48 Ų | 48 | 79.3 Ų | 79.3 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | trans | -64.6 | 136.5 | 177.6 | -75.8 | 154.4 | 0 | 0 | 0 | 110.3 | A737 K740 M744 I747 | A737-L742 HydrophobicContact CB-CD1 3.76Å; A737-L742 WeakPolarHBondContact O-CB 3.07Å; A737-L742 PolarHBondContact O-N 2.79Å; K740-L742 VanDerWaalsContact C-N 3.33Å; K740-L742 PolarHBondContact O-N 3.36Å; L742-M744 PolarHBondContact O-N 2.92Å; L742-I747 HydrophobicContact CB-CD1 4.07Å; L742-I747 HydrophobicContact CB-CG1 3.83Å; L742-I747 WeakPolarHBondContact O-CD1 3.33Å | ||
| 743 | P | 92.9 | Very high | 87.2 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | trans | -63.8 | 137.9 | 178.6 | 25 | -32.9 | 0 | 0 | 0 | 110.2 | R745 R746 I747 | P743-R745 PolarHBondContact O-N 3.46Å; P743-R746 HydrophobicContact CG-CB 4.05Å; P743-R746 WeakPolarHBondContact O-CB 3.28Å; P743-R746 PolarHBondContact O-N 3.28Å; P743-I747 PolarHBondContact O-N 3.18Å; P743-I747 VanDerWaalsContact O-N 3.16Å | ||
| 744 | M | 88.8 | Confident | 87.3 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 39% | 0.394 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -53.3 | -34.4 | -174.7 | -170 | 60.8 | 163.3 | 0 | 0 | 113 | L649 L729 L742 R746 I747 I748 | L649-M744 HydrophobicContact CD2-CE 3.84Å; L729-M744 HydrophobicContact CD2-CE 4.47Å; L742-M744 PolarHBondContact O-N 2.92Å; M744-R746 VanDerWaalsContact C-N 3.33Å; M744-R746 PolarHBondContact O-N 2.8Å; M744-I747 PolarHBondContact O-N 3.46Å; M744-I747 HydrophobicContact SD-CB 4.45Å; M744-I748 HydrophobicContact CE-CD1 4.35Å; M744-I748 HydrophobicContact CE-CG1 4.45Å; M744-I748 HydrophobicContact CG-CD1 3.76Å; M744-I748 HydrophobicContact CG-CG1 4.3Å; M744-I748 WeakPolarHBondContact O-CB 3.38Å; M744-I748 WeakPolarHBondContact O-CD1 3.12Å; M744-I748 VanDerWaalsContact O-CG1 3.22Å; M744-I748 WeakPolarHBondContact O-CG1 3.26Å; M744-I748 PolarHBondContact O-N 3.34Å; M744-I748 HydrophobicContact SD-CD1 4.44Å; M744-I748 HydrophobicContact SD-CG1 4.42Å |
| 745 | R | 91.2 | Very high | 86.8 | Confident | 200 Ų | 200 | 82 Ų | 82 | 76% | 0.755 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.6 | -40.5 | 174.5 | -175 | 178.5 | 177.5 | -168 | 0.7 | 112.9 | P743 L749 | P743-R745 PolarHBondContact O-N 3.46Å; R745-L749 HydrophobicContact CG-CD1 3.87Å; R745-L749 WeakPolarHBondContact O-CB 3.17Å; R745-L749 WeakPolarHBondContact O-CG 3.39Å; R745-L749 PolarHBondContact O-N 3.49Å |
| 746 | R | 90 | Very high | 86.8 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.8 | -38.9 | 178.2 | -173.5 | 177.7 | -80.4 | 177.4 | -2.3 | 110.8 | P743 M744 I748 R750 | P743-R746 HydrophobicContact CG-CB 4.05Å; P743-R746 WeakPolarHBondContact O-CB 3.28Å; P743-R746 PolarHBondContact O-N 3.28Å; M744-R746 VanDerWaalsContact C-N 3.33Å; M744-R746 PolarHBondContact O-N 2.8Å; R746-I748 VanDerWaalsContact C-N 3.34Å; R746-I748 PolarHBondContact O-N 3.45Å; R746-R750 HydrophobicContact CG-CG 4.39Å; R746-R750 WeakPolarHBondContact O-CB 3.49Å; R746-R750 PolarHBondContact O-N 3.37Å |
| 747 | I | 89.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | I | π-helix | trans | -56.8 | -50.1 | 172.8 | -61.1 | -177.3 | 0 | 0 | 0 | 109.9 | I734 A737 R738 L742 P743 M744 H751 A752 | I734-I747 HydrophobicContact CD1-CG2 3.71Å; I734-I747 HydrophobicContact CG2-CG2 3.83Å; A737-I747 HydrophobicContact CB-CD1 4.06Å; A737-I747 HydrophobicContact CB-CG1 4.04Å; R738-I747 HydrophobicContact CB-CD1 4.26Å; R738-I747 HydrophobicContact CG-CD1 3.52Å; L742-I747 HydrophobicContact CB-CD1 4.07Å; L742-I747 HydrophobicContact CB-CG1 3.83Å; L742-I747 WeakPolarHBondContact O-CD1 3.33Å; P743-I747 PolarHBondContact O-N 3.18Å; P743-I747 VanDerWaalsContact O-N 3.16Å; M744-I747 PolarHBondContact O-N 3.46Å; M744-I747 HydrophobicContact SD-CB 4.45Å; I747-H751 CarbonylContact O-C 3.56Å; I747-H751 WeakPolarHBondContact O-CA 3.39Å; I747-H751 VanDerWaalsContact O-CB 3.3Å; I747-H751 WeakPolarHBondContact O-CB 3.34Å; I747-H751 PolarHBondContact O-N 2.85Å; I747-A752 PolarHBondContact O-N 2.88Å |
| 748 | I | 90.1 | Very high | 86.8 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | I | π-helix | trans | -63 | -58.3 | 179.5 | -65.6 | 160.5 | 0 | 0 | 0 | 111.1 | V645 L649 M725 M744 R746 R750 A752 L753 | V645-I748 HydrophobicContact CG1-CG2 4.2Å; L649-I748 HydrophobicContact CD1-CD1 3.63Å; L649-I748 HydrophobicContact CD1-CG1 4.44Å; L649-I748 HydrophobicContact CD2-CD1 3.66Å; L649-I748 HydrophobicContact CD2-CG1 3.94Å; L649-I748 HydrophobicContact CG-CD1 4.3Å; M725-I748 HydrophobicContact CE-CG2 4.35Å; M744-I748 HydrophobicContact CE-CD1 4.35Å; M744-I748 HydrophobicContact CE-CG1 4.45Å; M744-I748 HydrophobicContact CG-CD1 3.76Å; M744-I748 HydrophobicContact CG-CG1 4.3Å; M744-I748 WeakPolarHBondContact O-CB 3.38Å; M744-I748 WeakPolarHBondContact O-CD1 3.12Å; M744-I748 VanDerWaalsContact O-CG1 3.22Å; M744-I748 WeakPolarHBondContact O-CG1 3.26Å; M744-I748 PolarHBondContact O-N 3.34Å; M744-I748 HydrophobicContact SD-CD1 4.44Å; M744-I748 HydrophobicContact SD-CG1 4.42Å; R746-I748 VanDerWaalsContact C-N 3.34Å; R746-I748 PolarHBondContact O-N 3.45Å; I748-R750 PolarHBondContact O-N 2.86Å; I748-A752 PolarHBondContact O-N 3.4Å; I748-L753 VanDerWaalsContact O-CB 3.24Å; I748-L753 WeakPolarHBondContact O-CB 3.44Å; I748-L753 PolarHBondContact O-N 3.28Å |
| 749 | L | 88.1 | Confident | 86.3 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | I | π-helix | trans | -72 | -32.6 | -169.4 | -68.2 | 173.9 | 0 | 0 | 0 | 114 | R745 L753 | R745-L749 HydrophobicContact CG-CD1 3.87Å; R745-L749 WeakPolarHBondContact O-CB 3.17Å; R745-L749 WeakPolarHBondContact O-CG 3.39Å; R745-L749 PolarHBondContact O-N 3.49Å; L749-L753 HydrophobicContact CD2-CD2 4.44Å |
| 750 | R | 84.4 | Confident | 86.3 | Confident | 174 Ų | 174 | 67.1 Ų | 67.1 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | I | π-helix | trans | -104.3 | -31.5 | -175.5 | -67.5 | -166.4 | 176.7 | -178.3 | -3.2 | 114.4 | R746 I748 | R746-R750 HydrophobicContact CG-CG 4.39Å; R746-R750 WeakPolarHBondContact O-CB 3.49Å; R746-R750 PolarHBondContact O-N 3.37Å; I748-R750 PolarHBondContact O-N 2.86Å |
| 751 | H | 82.3 | Confident | 86 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -108.2 | -40.9 | -171.9 | -60.6 | -76.2 | 0 | 0 | 0 | 111.9 | F733 I734 I747 P755 | F733-H751 HydrophobicContact CD2-CB 4.39Å; F733-H751 HydrophobicContact CE2-CB 3.97Å; F733-H751 VanDerWaalsContact CE2-O 3.26Å; F733-H751 WeakPolarHBondContact CE2-O 3.28Å; I734-H751 HydrophobicContact CD1-CB 3.64Å; I747-H751 CarbonylContact O-C 3.56Å; I747-H751 WeakPolarHBondContact O-CA 3.39Å; I747-H751 VanDerWaalsContact O-CB 3.3Å; I747-H751 WeakPolarHBondContact O-CB 3.34Å; I747-H751 PolarHBondContact O-N 2.85Å; H751-P755 VanDerWaalsContact O-CD 3.23Å; H751-P755 WeakPolarHBondContact O-CD 3.41Å; H751-P755 VanDerWaalsContact O-CG 3.28Å; H751-P755 WeakPolarHBondContact O-CG 3.36Å |
| 752 | A | 87 | Confident | 85.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -87.9 | -46.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M725 V728 L729 I734 I747 I748 K754 P755 A756 | M725-A752 HydrophobicContact CE-CB 3.76Å; M725-A752 HydrophobicContact SD-CB 4.22Å; V728-A752 HydrophobicContact CG1-CB 3.95Å; L729-A752 HydrophobicContact CD2-CB 4.08Å; I734-A752 HydrophobicContact CD1-CB 3.89Å; I747-A752 PolarHBondContact O-N 2.88Å; I748-A752 PolarHBondContact O-N 3.4Å; A752-K754 PolarHBondContact O-N 3.27Å; A752-P755 WeakPolarHBondContact O-CD 3.31Å; A752-P755 WeakPolarHBondContact O-CG 3.33Å; A752-A756 VanDerWaalsContact O-CB 3.22Å; A752-A756 WeakPolarHBondContact O-CB 3.43Å; A752-A756 PolarHBondContact O-N 3.41Å; A752-A756 VanDerWaalsContact O-N 3.16Å |
| 753 | L | 88.5 | Confident | 85.2 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.2 | -38.9 | -169.6 | -172.3 | 62.2 | 0 | 0 | 0 | 112.9 | V641 V645 M725 I748 L749 A756 L757 | V641-L753 HydrophobicContact CG1-CD1 3.94Å; V645-L753 HydrophobicContact CG2-CD1 3.77Å; M725-L753 HydrophobicContact SD-CD1 4.07Å; I748-L753 VanDerWaalsContact O-CB 3.24Å; I748-L753 WeakPolarHBondContact O-CB 3.44Å; I748-L753 PolarHBondContact O-N 3.28Å; L749-L753 HydrophobicContact CD2-CD2 4.44Å; L753-A756 PolarHBondContact O-N 2.91Å; L753-L757 HydrophobicContact CD1-CD1 4.27Å; L753-L757 HydrophobicContact CD1-CD2 4.37Å; L753-L757 HydrophobicContact CD1-CG 4.02Å; L753-L757 HydrophobicContact CD2-CD1 4.46Å; L753-L757 HydrophobicContact CG-CD1 3.87Å; L753-L757 HydrophobicContact CG-CG 4.1Å; L753-L757 WeakPolarHBondContact O-CB 3.32Å; L753-L757 VanDerWaalsContact O-CG 3.23Å; L753-L757 WeakPolarHBondContact O-CG 3.39Å; L753-L757 PolarHBondContact O-N 3.47Å |
| 754 | K | 82.7 | Confident | 84.9 | Confident | 101 Ų | 101 | 59.5 Ų | 59.5 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -54.2 | -178.1 | -170.6 | 179.8 | -176.8 | -164.7 | 0 | 112.7 | A752 L757 L832 | A752-K754 PolarHBondContact O-N 3.27Å; K754-L757 PolarHBondContact O-N 3.35Å; K754-L832 HydrophobicContact CD-CD1 3.85Å; K754-L832 VanDerWaalsContact CE-CD1 3.43Å; K754-L832 HydrophobicContact CG-CD1 4.29Å |
| 755 | P | 74.7 | Confident | 84.6 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 174.7 | 24.5 | -32.8 | 0 | 0 | 0 | 112.6 | V728 F733 H751 A752 L757 L758 F835 | V728-P755 HydrophobicContact CG1-CG 3.85Å; V728-P755 HydrophobicContact CG2-CB 4.12Å; V728-P755 HydrophobicContact CG2-CG 4.04Å; F733-P755 HydrophobicContact CZ-CG 4.15Å; H751-P755 VanDerWaalsContact O-CD 3.23Å; H751-P755 WeakPolarHBondContact O-CD 3.41Å; H751-P755 VanDerWaalsContact O-CG 3.28Å; H751-P755 WeakPolarHBondContact O-CG 3.36Å; A752-P755 WeakPolarHBondContact O-CD 3.31Å; A752-P755 WeakPolarHBondContact O-CG 3.33Å; P755-L757 PolarHBondContact O-N 2.88Å; P755-L758 PolarHBondContact O-N 3.16Å; P755-F835 HydrophobicContact CB-CB 3.86Å; P755-F835 HydrophobicContact CB-CD1 3.54Å; P755-F835 HydrophobicContact CB-CD2 4.19Å; P755-F835 HydrophobicContact CB-CE1 4.19Å; P755-F835 HydrophobicContact CB-CG 3.54Å; P755-F835 HydrophobicContact CG-CD1 4.49Å; P755-F835 HydrophobicContact CG-CG 4.5Å |
| 756 | A | 82.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.4 | -20.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S724 M725 V728 A752 L753 | S724-A756 WeakPolarHBondContact CB-O 3.31Å; M725-A756 HydrophobicContact CB-CB 4.41Å; M725-A756 HydrophobicContact CG-CB 3.72Å; M725-A756 HydrophobicContact SD-CB 3.37Å; M725-A756 WeakPolarHBondContact SD-CB 3.2Å; V728-A756 HydrophobicContact CG2-CB 4.04Å; A752-A756 VanDerWaalsContact O-CB 3.22Å; A752-A756 WeakPolarHBondContact O-CB 3.43Å; A752-A756 PolarHBondContact O-N 3.41Å; A752-A756 VanDerWaalsContact O-N 3.16Å; L753-A756 PolarHBondContact O-N 2.91Å |
| 757 | L | 86.4 | Confident | 84.1 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -10 | 177.4 | -78.1 | 174.4 | 0 | 0 | 0 | 113.7 | V641 L753 K754 P755 V760 L761 | V641-L757 HydrophobicContact CG1-CD2 4.07Å; V641-L757 HydrophobicContact CG2-CD2 3.77Å; L753-L757 HydrophobicContact CD1-CD1 4.27Å; L753-L757 HydrophobicContact CD1-CD2 4.37Å; L753-L757 HydrophobicContact CD1-CG 4.02Å; L753-L757 HydrophobicContact CD2-CD1 4.46Å; L753-L757 HydrophobicContact CG-CD1 3.87Å; L753-L757 HydrophobicContact CG-CG 4.1Å; L753-L757 WeakPolarHBondContact O-CB 3.32Å; L753-L757 VanDerWaalsContact O-CG 3.23Å; L753-L757 WeakPolarHBondContact O-CG 3.39Å; L753-L757 PolarHBondContact O-N 3.47Å; K754-L757 PolarHBondContact O-N 3.35Å; P755-L757 PolarHBondContact O-N 2.88Å; L757-V760 HydrophobicContact CD2-CB 4.1Å; L757-V760 HydrophobicContact CD2-CG1 4.24Å; L757-V760 HydrophobicContact CD2-CG2 4.18Å; L757-V760 WeakPolarHBondContact O-CB 3.23Å; L757-V760 PolarHBondContact O-N 3.44Å; L757-L761 PolarHBondContact O-N 2.76Å |
| 758 | L | 77.8 | Confident | 84.1 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 20% | 0.199 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -54.8 | 180 | -68.1 | 171.8 | 0 | 0 | 0 | 111.1 | P755 V760 L761 S762 Y825 F835 | P755-L758 PolarHBondContact O-N 3.16Å; L758-V760 PolarHBondContact O-N 3.16Å; L758-V760 VanDerWaalsContact O-N 3.13Å; L758-L761 WeakPolarHBondContact O-CA 3.24Å; L758-L761 VanDerWaalsContact O-CB 3.31Å; L758-L761 WeakPolarHBondContact O-CB 3.39Å; L758-L761 PolarHBondContact O-N 3.47Å; L758-S762 PolarHBondContact O-N 3.06Å; L758-Y825 VanDerWaalsContact C-OH 3.23Å; L758-Y825 HydrophobicContact CD2-CE1 4.38Å; L758-Y825 PolarHBondContact O-OH 3.01Å; L758-F835 HydrophobicContact CD1-CB 4.44Å; L758-F835 VanDerWaalsContact CD1-O 3.29Å; L758-F835 WeakPolarHBondContact CD1-O 3.45Å |
| 759 | P | 78.1 | Confident | 83.9 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 26% | 0.26 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -28.2 | 177.1 | -25.1 | 39 | 0 | 0 | 0 | 113.4 | I720 S724 Y763 | I720-P759 HydrophobicContact CG2-CB 3.8Å; S724-P759 WeakPolarHBondContact OG-CG 3.48Å; P759-Y763 PolarHBondContact O-N 3.28Å |
| 760 | V | 87 | Confident | 83.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 174.1 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | V641 I717 I720 T721 L757 L758 S762 Y763 M764 | V641-V760 HydrophobicContact CG2-CG1 4.33Å; I717-V760 HydrophobicContact CG2-CG1 3.92Å; I720-V760 HydrophobicContact CB-CG2 4.45Å; I720-V760 HydrophobicContact CG2-CG2 3.83Å; T721-V760 VanDerWaalsContact OG1-CG2 3.28Å; T721-V760 WeakPolarHBondContact OG1-CG2 3.45Å; L757-V760 HydrophobicContact CD2-CB 4.1Å; L757-V760 HydrophobicContact CD2-CG1 4.24Å; L757-V760 HydrophobicContact CD2-CG2 4.18Å; L757-V760 WeakPolarHBondContact O-CB 3.23Å; L757-V760 PolarHBondContact O-N 3.44Å; L758-V760 PolarHBondContact O-N 3.16Å; L758-V760 VanDerWaalsContact O-N 3.13Å; V760-S762 PolarHBondContact O-N 3.29Å; V760-Y763 PolarHBondContact O-N 2.96Å; V760-Y763 VanDerWaalsContact O-N 3.13Å; V760-M764 HydrophobicContact CG1-CG 4.25Å; V760-M764 HydrophobicContact CG1-SD 4.09Å; V760-M764 VanDerWaalsContact O-CG 3.23Å; V760-M764 WeakPolarHBondContact O-CG 3.44Å; V760-M764 PolarHBondContact O-N 2.74Å |
| 761 | L | 84.5 | Confident | 83.9 | Confident | 32 Ų | 32 | 32.4 Ų | 32.4 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 177.4 | -172.4 | 66.2 | 0 | 0 | 0 | 112.2 | L757 L758 Y763 M764 L824 Y825 | L757-L761 PolarHBondContact O-N 2.76Å; L758-L761 WeakPolarHBondContact O-CA 3.24Å; L758-L761 VanDerWaalsContact O-CB 3.31Å; L758-L761 WeakPolarHBondContact O-CB 3.39Å; L758-L761 PolarHBondContact O-N 3.47Å; L761-Y763 VanDerWaalsContact C-N 3.3Å; L761-Y763 PolarHBondContact O-N 3.48Å; L761-M764 HydrophobicContact CD1-SD 4.27Å; L761-M764 WeakPolarHBondContact O-CB 3.32Å; L761-M764 PolarHBondContact O-N 2.74Å; L761-L824 HydrophobicContact CD1-CD1 4.24Å; L761-L824 HydrophobicContact CD2-CB 4.13Å; L761-Y825 HydrophobicContact CB-CE2 4.43Å; L761-Y825 HydrophobicContact CD2-CD2 4.35Å; L761-Y825 HydrophobicContact CD2-CE2 4.28Å; L761-Y825 HydrophobicContact CG-CE2 4.4Å |
| 762 | S | 77.4 | Confident | 84 | Confident | 56 Ų | 56 | 29.9 Ų | 29.9 | 39% | 0.392 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 172.4 | -74.7 | 0 | 0 | 0 | 0 | 112.6 | L758 V760 P766 Y825 | L758-S762 PolarHBondContact O-N 3.06Å; V760-S762 PolarHBondContact O-N 3.29Å; S762-P766 VanDerWaalsContact O-CD 3.27Å; S762-P766 WeakPolarHBondContact O-CD 3.48Å; S762-Y825 VanDerWaalsContact OG-CE2 3.22Å; S762-Y825 WeakPolarHBondContact OG-CE2 3.21Å; S762-Y825 VanDerWaalsContact OG-CZ 3.26Å; S762-Y825 PolarHBondContact OG-OH 3.47Å |
| 763 | Y | 86.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 31.3 Ų | 31.3 | 26% | 0.255 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -75.1 | -29.5 | 178.7 | -178.4 | -105.8 | 0 | 0 | 0 | 112.5 | Y713 S716 I717 I720 P759 V760 L761 G765 P766 A767 | Y713-Y763 HydrophobicContact CD1-CE1 4.43Å; S716-Y763 WeakPolarHBondContact CB-OH 3.43Å; S716-Y763 PolarHBondContact OG-OH 2.86Å; I717-Y763 HydrophobicContact CG1-CD1 3.86Å; I717-Y763 HydrophobicContact CG1-CE1 3.9Å; I720-Y763 HydrophobicContact CD1-CD1 3.9Å; I720-Y763 HydrophobicContact CD1-CD2 3.97Å; I720-Y763 HydrophobicContact CD1-CG 3.54Å; P759-Y763 PolarHBondContact O-N 3.28Å; V760-Y763 PolarHBondContact O-N 2.96Å; V760-Y763 VanDerWaalsContact O-N 3.13Å; L761-Y763 VanDerWaalsContact C-N 3.3Å; L761-Y763 PolarHBondContact O-N 3.48Å; Y763-G765 VanDerWaalsContact C-N 3.29Å; Y763-G765 PolarHBondContact O-N 3.05Å; Y763-P766 WeakPolarHBondContact O-CD 3.18Å; Y763-A767 HydrophobicContact CD1-CB 3.98Å; Y763-A767 HydrophobicContact CE1-CB 3.71Å; Y763-A767 WeakPolarHBondContact O-CB 3.36Å; Y763-A767 PolarHBondContact O-N 2.83Å |
| 764 | M | 86.2 | Confident | 82.5 | Confident | 43 Ų | 43 | 31.5 Ų | 31.5 | 21% | 0.212 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -35.3 | -178.4 | -81.6 | 170 | 74 | 0 | 0 | 113.1 | F633 V637 V760 L761 F768 | F633-M764 HydrophobicContact CE1-CE 3.86Å; F633-M764 HydrophobicContact CE2-CB 4.11Å; F633-M764 HydrophobicContact CE2-CG 4.14Å; F633-M764 WeakPolarHBondContact CE2-O 3.49Å; F633-M764 HydrophobicContact CZ-CB 3.9Å; F633-M764 HydrophobicContact CZ-CE 3.46Å; F633-M764 VanDerWaalsContact CZ-CE 3.46Å; F633-M764 HydrophobicContact CZ-CG 3.88Å; V637-M764 HydrophobicContact CG1-CE 4.41Å; V637-M764 HydrophobicContact CG2-CE 3.98Å; V637-M764 HydrophobicContact CG2-CG 4.29Å; V637-M764 HydrophobicContact CG2-SD 4.38Å; V760-M764 HydrophobicContact CG1-CG 4.25Å; V760-M764 HydrophobicContact CG1-SD 4.09Å; V760-M764 VanDerWaalsContact O-CG 3.23Å; V760-M764 WeakPolarHBondContact O-CG 3.44Å; V760-M764 PolarHBondContact O-N 2.74Å; L761-M764 HydrophobicContact CD1-SD 4.27Å; L761-M764 WeakPolarHBondContact O-CB 3.32Å; L761-M764 PolarHBondContact O-N 2.74Å; M764-F768 VanDerWaalsContact O-CB 3.27Å; M764-F768 WeakPolarHBondContact O-CB 3.43Å; M764-F768 PolarHBondContact O-N 3.31Å |
| 765 | G | 82.7 | Confident | 82.2 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -64.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y763 A767 F768 V769 | Y763-G765 VanDerWaalsContact C-N 3.29Å; Y763-G765 PolarHBondContact O-N 3.05Å; G765-A767 VanDerWaalsContact C-N 3.26Å; G765-A767 PolarHBondContact O-N 3.14Å; G765-F768 PolarHBondContact O-N 3.36Å; G765-V769 WeakPolarHBondContact O-CG2 3.27Å; G765-V769 PolarHBondContact O-N 2.86Å |
| 766 | P | 82.4 | Confident | 82.6 | Confident | 68 Ų | 68 | 29.1 Ų | 29.1 | 44% | 0.442 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.9 | -34.6 | 175.1 | -26.2 | 35.3 | 0 | 0 | 0 | 113.5 | S762 Y763 G770 | S762-P766 VanDerWaalsContact O-CD 3.27Å; S762-P766 WeakPolarHBondContact O-CD 3.48Å; Y763-P766 WeakPolarHBondContact O-CD 3.18Å; P766-G770 PolarHBondContact O-N 2.72Å |
| 767 | A | 88.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y713 Y763 G765 V769 G770 I771 | Y713-A767 HydrophobicContact CD1-CB 3.72Å; Y713-A767 HydrophobicContact CE1-CB 3.99Å; Y763-A767 HydrophobicContact CD1-CB 3.98Å; Y763-A767 HydrophobicContact CE1-CB 3.71Å; Y763-A767 WeakPolarHBondContact O-CB 3.36Å; Y763-A767 PolarHBondContact O-N 2.83Å; G765-A767 VanDerWaalsContact C-N 3.26Å; G765-A767 PolarHBondContact O-N 3.14Å; A767-V769 VanDerWaalsContact C-N 3.33Å; A767-V769 PolarHBondContact O-N 2.6Å; A767-G770 PolarHBondContact O-N 2.85Å; A767-I771 WeakPolarHBondContact O-CB 3.39Å; A767-I771 VanDerWaalsContact O-CG1 3.24Å; A767-I771 WeakPolarHBondContact O-CG1 3.23Å; A767-I771 PolarHBondContact O-N 2.74Å |
| 768 | F | 89.3 | Confident | 82.8 | Confident | 32 Ų | 32 | 29 Ų | 29 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 178.1 | -172.8 | -94.6 | 0 | 0 | 0 | 111.2 | F633 M764 G765 I771 I772 F817 | F633-F768 HydrophobicContact CB-CD2 3.91Å; F633-F768 HydrophobicContact CB-CE2 4.26Å; F633-F768 AromaticContact CD1-CD2 3.61Å; F633-F768 HydrophobicContact CD1-CD2 3.61Å; F633-F768 HydrophobicContact CD1-CE2 4.06Å; F633-F768 HydrophobicContact CD2-CB 3.91Å; F633-F768 AromaticContact CD2-CD2 3.7Å; F633-F768 HydrophobicContact CD2-CD2 3.7Å; F633-F768 HydrophobicContact CD2-CG 4.31Å; F633-F768 AromaticContact CE1-CD2 3.92Å; F633-F768 HydrophobicContact CE1-CD2 3.92Å; F633-F768 HydrophobicContact CE2-CB 3.75Å; F633-F768 AromaticContact CE2-CD2 4Å; F633-F768 HydrophobicContact CE2-CD2 4Å; F633-F768 HydrophobicContact CE2-CG 4.4Å; F633-F768 AromaticContact CG-CD2 3.47Å; F633-F768 HydrophobicContact CG-CD2 3.47Å; F633-F768 VanDerWaalsContact CG-CD2 3.47Å; F633-F768 HydrophobicContact CG-CE2 4.13Å; F633-F768 HydrophobicContact CG-CG 4.48Å; F633-F768 HydrophobicContact CZ-CB 4.27Å; F633-F768 HydrophobicContact CZ-CD2 4.08Å; M764-F768 VanDerWaalsContact O-CB 3.27Å; M764-F768 WeakPolarHBondContact O-CB 3.43Å; M764-F768 PolarHBondContact O-N 3.31Å; G765-F768 PolarHBondContact O-N 3.36Å; F768-I771 PolarHBondContact O-N 2.94Å; F768-I772 HydrophobicContact CD1-CD1 3.81Å; F768-I772 HydrophobicContact CE1-CD1 3.16Å; F768-I772 HydrophobicContact CE1-CG1 4.29Å; F768-I772 HydrophobicContact CE2-CD1 4.38Å; F768-I772 HydrophobicContact CZ-CD1 3.52Å; F768-I772 PolarHBondContact O-N 2.79Å; F768-I772 VanDerWaalsContact O-N 3.14Å; F768-F817 AromaticContact CD1-CD1 3.78Å; F768-F817 HydrophobicContact CD1-CD1 3.78Å; F768-F817 AromaticContact CD1-CD2 3.97Å; F768-F817 HydrophobicContact CD1-CD2 3.97Å; F768-F817 AromaticContact CD1-CE1 3.38Å; F768-F817 HydrophobicContact CD1-CE1 3.38Å; F768-F817 AromaticContact CD1-CE2 3.6Å; F768-F817 HydrophobicContact CD1-CE2 3.6Å; F768-F817 HydrophobicContact CD1-CG 4.08Å; F768-F817 AromaticContact CD1-CZ 3.31Å; F768-F817 HydrophobicContact CD1-CZ 3.31Å; F768-F817 HydrophobicContact CE1-CD1 4.34Å; F768-F817 HydrophobicContact CE1-CD2 4.34Å; F768-F817 AromaticContact CE1-CE1 3.5Å; F768-F817 HydrophobicContact CE1-CE1 3.5Å; F768-F817 VanDerWaalsContact CE1-CE1 3.5Å; F768-F817 AromaticContact CE1-CE2 3.51Å; F768-F817 HydrophobicContact CE1-CE2 3.51Å; F768-F817 AromaticContact CE1-CZ 3.03Å; F768-F817 HydrophobicContact CE1-CZ 3.03Å; F768-F817 HydrophobicContact CG-CD1 4.35Å; F768-F817 HydrophobicContact CG-CE1 4.09Å; F768-F817 HydrophobicContact CG-CZ 4.39Å; F768-F817 HydrophobicContact CZ-CE1 4.29Å; F768-F817 AromaticContact CZ-CZ 3.97Å; F768-F817 HydrophobicContact CZ-CZ 3.97Å |
| 769 | V | 85.1 | Confident | 83.4 | Confident | 9 Ų | 9 | 27.1 Ų | 27.1 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 177 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | G765 A767 I771 I772 T773 T814 F817 | G765-V769 WeakPolarHBondContact O-CG2 3.27Å; G765-V769 PolarHBondContact O-N 2.86Å; A767-V769 VanDerWaalsContact C-N 3.33Å; A767-V769 PolarHBondContact O-N 2.6Å; V769-I771 VanDerWaalsContact C-N 3.27Å; V769-I771 PolarHBondContact O-N 3.43Å; V769-I772 PolarHBondContact O-N 3.26Å; V769-T773 HydrophobicContact CG1-CG2 4.3Å; V769-T773 VanDerWaalsContact O-CG2 3.28Å; V769-T773 WeakPolarHBondContact O-CG2 3.25Å; V769-T773 PolarHBondContact O-N 2.93Å; V769-T773 PolarHBondContact O-OG1 3.44Å; V769-T814 WeakPolarHBondContact CG1-OG1 3.38Å; V769-F817 HydrophobicContact CG2-CB 3.73Å; V769-F817 HydrophobicContact CG2-CD2 3.95Å; V769-F817 HydrophobicContact CG2-CG 4.05Å |
| 770 | G | 83.9 | Confident | 83.8 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -32.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y713 P766 A767 G774 | Y713-G770 PolarHBondContact OH-O 2.99Å; P766-G770 PolarHBondContact O-N 2.72Å; A767-G770 PolarHBondContact O-N 2.85Å; G770-G774 WeakPolarHBondContact O-CA 3.44Å; G770-G774 PolarHBondContact O-N 3.4Å |
| 771 | I | 88.6 | Confident | 83.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -45.4 | 175.5 | -75.6 | 173.3 | 0 | 0 | 0 | 110.9 | G629 A632 F633 A636 L709 Y713 A767 F768 V769 T773 | G629-I771 VanDerWaalsContact CA-CG2 3.47Å; G629-I771 VanDerWaalsContact O-CG2 3.24Å; G629-I771 WeakPolarHBondContact O-CG2 3.42Å; A632-I771 HydrophobicContact CB-CG2 3.95Å; F633-I771 HydrophobicContact CB-CD1 3.88Å; F633-I771 HydrophobicContact CD2-CD1 4Å; F633-I771 HydrophobicContact CG-CD1 4.45Å; A636-I771 HydrophobicContact CB-CD1 4.47Å; L709-I771 HydrophobicContact CD2-CG2 3.78Å; L709-I771 HydrophobicContact CG-CG2 4.08Å; Y713-I771 HydrophobicContact CD1-CD1 4.06Å; Y713-I771 HydrophobicContact CD1-CG1 3.96Å; Y713-I771 HydrophobicContact CD2-CD1 3.69Å; Y713-I771 HydrophobicContact CD2-CG1 3.33Å; Y713-I771 HydrophobicContact CE1-CD1 4.43Å; Y713-I771 HydrophobicContact CE1-CG1 3.85Å; Y713-I771 HydrophobicContact CE2-CB 4.35Å; Y713-I771 HydrophobicContact CE2-CD1 4.1Å; Y713-I771 HydrophobicContact CE2-CG1 3.2Å; Y713-I771 HydrophobicContact CG-CD1 3.66Å; Y713-I771 HydrophobicContact CG-CG1 3.7Å; Y713-I771 VanDerWaalsContact CZ-CG1 3.47Å; Y713-I771 PolarHBondContact OH-N 3.38Å; A767-I771 WeakPolarHBondContact O-CB 3.39Å; A767-I771 VanDerWaalsContact O-CG1 3.24Å; A767-I771 WeakPolarHBondContact O-CG1 3.23Å; A767-I771 PolarHBondContact O-N 2.74Å; F768-I771 PolarHBondContact O-N 2.94Å; V769-I771 VanDerWaalsContact C-N 3.27Å; V769-I771 PolarHBondContact O-N 3.43Å; I771-T773 VanDerWaalsContact C-N 3.31Å; I771-T773 PolarHBondContact O-N 3.47Å |
| 772 | I | 84.2 | Confident | 84.2 | Confident | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -34.8 | -179.2 | -70.7 | -179.2 | 0 | 0 | 0 | 111.3 | F768 V769 S775 | F768-I772 HydrophobicContact CD1-CD1 3.81Å; F768-I772 HydrophobicContact CE1-CD1 3.16Å; F768-I772 HydrophobicContact CE1-CG1 4.29Å; F768-I772 HydrophobicContact CE2-CD1 4.38Å; F768-I772 HydrophobicContact CZ-CD1 3.52Å; F768-I772 PolarHBondContact O-N 2.79Å; F768-I772 VanDerWaalsContact O-N 3.14Å; V769-I772 PolarHBondContact O-N 3.26Å; I772-S775 PolarHBondContact O-OG 2.92Å |
| 773 | T | 75.9 | Confident | 84.8 | Confident | 31 Ų | 31 | 29.3 Ų | 29.3 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -98.2 | -31.9 | -172.6 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | V769 I771 S775 V810 | V769-T773 HydrophobicContact CG1-CG2 4.3Å; V769-T773 VanDerWaalsContact O-CG2 3.28Å; V769-T773 WeakPolarHBondContact O-CG2 3.25Å; V769-T773 PolarHBondContact O-N 2.93Å; V769-T773 PolarHBondContact O-OG1 3.44Å; I771-T773 VanDerWaalsContact C-N 3.31Å; I771-T773 PolarHBondContact O-N 3.47Å; T773-S775 PolarHBondContact O-N 2.84Å; T773-V810 HydrophobicContact CG2-CB 4.17Å; T773-V810 HydrophobicContact CG2-CG1 3.87Å; T773-V810 HydrophobicContact CG2-CG2 3.53Å |
| 774 | G | 69.4 | Low | 85 | Confident | 35 Ų | 35 | 26.2 Ų | 26.2 | 36% | 0.361 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 4.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G770 M776 | G770-G774 WeakPolarHBondContact O-CA 3.44Å; G770-G774 PolarHBondContact O-N 3.4Å; G774-M776 PolarHBondContact O-N 2.95Å |
| 775 | S | 76.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -7 | 175.8 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | I772 T773 V777 I778 E779 | I772-S775 PolarHBondContact O-OG 2.92Å; T773-S775 PolarHBondContact O-N 2.84Å; S775-V777 VanDerWaalsContact C-N 3.33Å; S775-V777 PolarHBondContact O-N 3.09Å; S775-V777 VanDerWaalsContact O-N 3.16Å; S775-I778 CarbonylContact O-C 3.14Å; S775-I778 WeakPolarHBondContact O-CA 3.37Å; S775-I778 PolarHBondContact O-N 2.77Å; S775-E779 WeakPolarHBondContact CB-OE1 3.13Å; S775-E779 WeakPolarHBondContact O-CB 3.3Å; S775-E779 WeakPolarHBondContact O-CG 3.27Å; S775-E779 PolarHBondContact O-N 2.84Å; S775-E779 PolarHBondContact OG-OE1 3.42Å |
| 776 | M | 82.2 | Confident | 85.4 | Confident | 65 Ų | 65 | 26.9 Ų | 26.9 | 32% | 0.32 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -41.9 | -53.2 | -179 | -73.6 | -177.7 | -74.2 | 0 | 0 | 114.4 | G774 T780 G788 F791 V792 | G774-M776 PolarHBondContact O-N 2.95Å; M776-T780 WeakPolarHBondContact O-CB 3.33Å; M776-T780 PolarHBondContact O-N 3.36Å; M776-T780 PolarHBondContact O-OG1 3.05Å; M776-G788 VanDerWaalsContact CG-CA 3.43Å; M776-F791 HydrophobicContact CG-CB 4.45Å; M776-F791 HydrophobicContact SD-CB 4.05Å; M776-F791 HydrophobicContact SD-CD1 3.54Å; M776-F791 VanDerWaalsContact SD-CD1 3.54Å; M776-F791 HydrophobicContact SD-CE1 4.28Å; M776-F791 HydrophobicContact SD-CG 3.97Å; M776-V792 HydrophobicContact CB-CG2 4.39Å |
| 777 | V | 83.4 | Confident | 85.7 | Confident | 57 Ų | 57 | 24.2 Ų | 24.2 | 35% | 0.345 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.5 | -43.8 | -178.8 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | F672 S775 T780 I781 | F672-V777 HydrophobicContact CB-CG1 3.75Å; S775-V777 VanDerWaalsContact C-N 3.33Å; S775-V777 PolarHBondContact O-N 3.09Å; S775-V777 VanDerWaalsContact O-N 3.16Å; V777-T780 PolarHBondContact O-N 3.24Å; V777-I781 HydrophobicContact CG1-CD1 3.69Å; V777-I781 VanDerWaalsContact O-CG1 3.25Å; V777-I781 WeakPolarHBondContact O-CG1 3.32Å; V777-I781 PolarHBondContact O-N 2.91Å |
| 778 | I | 90 | Very high | 85.5 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -48.5 | -179.4 | -63 | -55.5 | 0 | 0 | 0 | 110.4 | A675 P705 A708 L709 S775 T780 I781 Y782 | A675-I778 HydrophobicContact CB-CD1 3.82Å; P705-I778 HydrophobicContact CB-CG2 3.69Å; A708-I778 HydrophobicContact CB-CD1 3.57Å; L709-I778 HydrophobicContact CB-CG1 4.34Å; L709-I778 HydrophobicContact CD1-CG1 4.16Å; S775-I778 CarbonylContact O-C 3.14Å; S775-I778 WeakPolarHBondContact O-CA 3.37Å; S775-I778 PolarHBondContact O-N 2.77Å; I778-T780 VanDerWaalsContact C-N 3.29Å; I778-T780 PolarHBondContact O-N 3.36Å; I778-I781 PolarHBondContact O-N 3.35Å; I778-Y782 HydrophobicContact CG2-CD2 3.79Å; I778-Y782 HydrophobicContact CG2-CE2 4.09Å; I778-Y782 VanDerWaalsContact O-CD2 3.26Å; I778-Y782 WeakPolarHBondContact O-CD2 3.3Å; I778-Y782 PolarHBondContact O-N 3.48Å |
| 779 | E | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 178.4 | -70.6 | 179.2 | -173.6 | 0 | 0 | 111.8 | S625 S775 G783 L784 G786 I787 G788 Q789 | S625-E779 WeakPolarHBondContact CB-OE1 3.47Å; S625-E779 PolarHBondContact OG-OE1 2.8Å; S775-E779 WeakPolarHBondContact CB-OE1 3.13Å; S775-E779 WeakPolarHBondContact O-CB 3.3Å; S775-E779 WeakPolarHBondContact O-CG 3.27Å; S775-E779 PolarHBondContact O-N 2.84Å; S775-E779 PolarHBondContact OG-OE1 3.42Å; E779-G783 CarbonylContact O-C 3.57Å; E779-G783 WeakPolarHBondContact O-CA 3.44Å; E779-G783 PolarHBondContact O-N 3.39Å; E779-L784 HydrophobicContact CB-CB 4.11Å; E779-L784 HydrophobicContact CG-CB 4.08Å; E779-L784 HydrophobicContact CG-CD1 4.32Å; E779-L784 PolarHBondContact O-N 3.26Å; E779-G786 WeakPolarHBondContact OE2-CA 3.44Å; E779-I787 PolarHBondContact OE2-N 2.85Å; E779-G788 VanDerWaalsContact OE2-CA 3.23Å; E779-G788 WeakPolarHBondContact OE2-CA 3.36Å; E779-G788 PolarHBondContact OE2-N 3.49Å; E779-Q789 PolarHBondContact OE2-N 3.36Å |
| 780 | T | 87.2 | Confident | 85.3 | Confident | 70 Ų | 70 | 26 Ų | 26 | 43% | 0.429 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.4 | -47.9 | 175.6 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | M776 V777 I778 Y782 G783 | M776-T780 WeakPolarHBondContact O-CB 3.33Å; M776-T780 PolarHBondContact O-N 3.36Å; M776-T780 PolarHBondContact O-OG1 3.05Å; V777-T780 PolarHBondContact O-N 3.24Å; I778-T780 VanDerWaalsContact C-N 3.29Å; I778-T780 PolarHBondContact O-N 3.36Å; T780-Y782 PolarHBondContact O-N 2.95Å; T780-G783 PolarHBondContact O-N 3.36Å |
| 781 | I | 88.8 | Confident | 85.3 | Confident | 59 Ų | 59 | 28 Ų | 28 | 30% | 0.303 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.1 | -41.2 | -177.5 | -69.4 | 168.8 | 0 | 0 | 0 | 111.8 | F672 A675 P676 V777 I778 | F672-I781 HydrophobicContact CB-CD1 4.36Å; A675-I781 HydrophobicContact CB-CB 4.37Å; A675-I781 HydrophobicContact CB-CD1 3.85Å; A675-I781 HydrophobicContact CB-CG2 3.88Å; P676-I781 HydrophobicContact CG-CD1 4.21Å; P676-I781 HydrophobicContact CG-CG2 4.3Å; V777-I781 HydrophobicContact CG1-CD1 3.69Å; V777-I781 VanDerWaalsContact O-CG1 3.25Å; V777-I781 WeakPolarHBondContact O-CG1 3.32Å; V777-I781 PolarHBondContact O-N 2.91Å; I778-I781 PolarHBondContact O-N 3.35Å |
| 782 | Y | 91.7 | Very high | 85 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.2 | 179.8 | -68.6 | -81.7 | 0 | 0 | 0 | 113.2 | A675 V679 G691 G692 G693 L704 P705 A708 I778 T780 L784 | A675-Y782 HydrophobicContact CB-CD2 4.47Å; A675-Y782 HydrophobicContact CB-CE2 3.58Å; A675-Y782 PolarHBondContact O-OH 2.92Å; V679-Y782 HydrophobicContact CG2-CD1 4.02Å; V679-Y782 HydrophobicContact CG2-CE1 3.36Å; G691-Y782 WeakPolarHBondContact O-CD1 3.37Å; G692-Y782 CarbonylContact C-O 3.56Å; G692-Y782 WeakPolarHBondContact CA-O 3.24Å; G693-Y782 PolarHBondContact N-O 2.89Å; L704-Y782 HydrophobicContact CB-CD1 4.38Å; L704-Y782 HydrophobicContact CB-CE1 3.4Å; L704-Y782 VanDerWaalsContact CB-CE1 3.4Å; L704-Y782 WeakPolarHBondContact CB-OH 3.38Å; L704-Y782 HydrophobicContact CD1-CE1 4.11Å; L704-Y782 HydrophobicContact CG-CE1 4.42Å; L704-Y782 PolarHBondContact O-OH 3.24Å; P705-Y782 HydrophobicContact CB-CD2 3.95Å; P705-Y782 HydrophobicContact CB-CE2 4.26Å; P705-Y782 HydrophobicContact CB-CG 4.29Å; P705-Y782 HydrophobicContact CG-CD1 3.87Å; P705-Y782 HydrophobicContact CG-CD2 3.75Å; P705-Y782 HydrophobicContact CG-CE1 4.31Å; P705-Y782 HydrophobicContact CG-CE2 4.2Å; P705-Y782 HydrophobicContact CG-CG 3.59Å; A708-Y782 HydrophobicContact CB-CE2 4.29Å; I778-Y782 HydrophobicContact CG2-CD2 3.79Å; I778-Y782 HydrophobicContact CG2-CE2 4.09Å; I778-Y782 VanDerWaalsContact O-CD2 3.26Å; I778-Y782 WeakPolarHBondContact O-CD2 3.3Å; I778-Y782 PolarHBondContact O-N 3.48Å; T780-Y782 PolarHBondContact O-N 2.95Å; Y782-L784 PolarHBondContact O-N 3.28Å |
| 783 | G | 88.7 | Confident | 85.1 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 43% | 0.433 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 44.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E779 T780 | E779-G783 CarbonylContact O-C 3.57Å; E779-G783 WeakPolarHBondContact O-CA 3.44Å; E779-G783 PolarHBondContact O-N 3.39Å; T780-G783 PolarHBondContact O-N 3.36Å |
| 784 | L | 90.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -91.8 | 133.1 | 179.2 | -55.3 | -178.4 | 0 | 0 | 0 | 110.5 | L628 G693 W694 P705 E779 Y782 G786 Q789 | L628-L784 HydrophobicContact CD2-CD1 3.64Å; G693-L784 WeakPolarHBondContact O-CD2 3.24Å; W694-L784 HydrophobicContact CB-CD2 4.46Å; W694-L784 HydrophobicContact CE3-CD2 4.27Å; P705-L784 HydrophobicContact CB-CD1 3.93Å; P705-L784 HydrophobicContact CG-CD1 3.92Å; E779-L784 HydrophobicContact CB-CB 4.11Å; E779-L784 HydrophobicContact CG-CB 4.08Å; E779-L784 HydrophobicContact CG-CD1 4.32Å; E779-L784 PolarHBondContact O-N 3.26Å; Y782-L784 PolarHBondContact O-N 3.28Å; L784-G786 PolarHBondContact O-N 2.89Å; L784-Q789 PolarHBondContact O-OE1 3.44Å; L784-Q789 VanDerWaalsContact O-OE1 3.14Å | ||
| 785 | P | 88.9 | Confident | 86.1 | Confident | 58 Ų | 58 | 31 Ų | 31 | 38% | 0.377 | 19% | 0.186 | S | C | . | . | trans | -80.6 | 58.7 | -179.2 | 34.9 | -34.7 | 0 | 0 | 0 | 111 | V624 W694 | V624-P785 HydrophobicContact CG2-CG 4.37Å; W694-P785 HydrophobicContact CB-CG 4.1Å; W694-P785 HydrophobicContact CG-CG 4.28Å | ||
| 786 | G | 89.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -102.2 | 177.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S625 E779 L784 G788 Q789 L790 | S625-G786 WeakPolarHBondContact OG-CA 3.13Å; E779-G786 WeakPolarHBondContact OE2-CA 3.44Å; L784-G786 PolarHBondContact O-N 2.89Å; G786-G788 PolarHBondContact O-N 3.4Å; G786-Q789 PolarHBondContact O-N 2.92Å; G786-L790 PolarHBondContact O-N 2.89Å |
| 787 | I | 87.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -32.8 | 179.3 | -80.1 | 176.9 | 0 | 0 | 0 | 112.1 | F622 S625 E779 Q789 L790 F791 L806 L809 | F622-I787 HydrophobicContact CB-CD1 3.69Å; F622-I787 HydrophobicContact CB-CG1 4.38Å; F622-I787 HydrophobicContact CD2-CD1 3.46Å; F622-I787 VanDerWaalsContact CD2-CD1 3.46Å; F622-I787 HydrophobicContact CG-CD1 4.05Å; S625-I787 PolarHBondContact OG-N 2.82Å; E779-I787 PolarHBondContact OE2-N 2.85Å; I787-Q789 VanDerWaalsContact C-N 3.27Å; I787-Q789 PolarHBondContact O-N 3.38Å; I787-L790 CarbonylContact O-C 3.54Å; I787-L790 WeakPolarHBondContact O-CA 3.25Å; I787-L790 WeakPolarHBondContact O-CB 3.49Å; I787-L790 PolarHBondContact O-N 3.43Å; I787-L790 VanDerWaalsContact O-N 3.11Å; I787-F791 PolarHBondContact O-N 3.42Å; I787-L806 HydrophobicContact CD1-CD2 4.4Å; I787-L806 HydrophobicContact CG1-CD2 4.25Å; I787-L806 HydrophobicContact CG2-CD1 4.46Å; I787-L806 HydrophobicContact CG2-CD2 3.78Å; I787-L809 HydrophobicContact CD1-CD2 3.7Å |
| 788 | G | 83.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M776 E779 G786 F791 V792 | M776-G788 VanDerWaalsContact CG-CA 3.43Å; E779-G788 VanDerWaalsContact OE2-CA 3.23Å; E779-G788 WeakPolarHBondContact OE2-CA 3.36Å; E779-G788 PolarHBondContact OE2-N 3.49Å; G786-G788 PolarHBondContact O-N 3.4Å; G788-F791 PolarHBondContact O-N 2.84Å; G788-V792 WeakPolarHBondContact O-CG2 3.38Å; G788-V792 PolarHBondContact O-N 3.28Å; G788-V792 VanDerWaalsContact O-N 3.09Å |
| 789 | Q | 83.9 | Confident | 86.1 | Confident | 64 Ų | 64 | 39.6 Ų | 39.6 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67 | -39.8 | 173.1 | -165.1 | 178.8 | 18.4 | 0 | 0 | 111.9 | E779 L784 G786 I787 F791 V792 N793 | E779-Q789 PolarHBondContact OE2-N 3.36Å; L784-Q789 PolarHBondContact O-OE1 3.44Å; L784-Q789 VanDerWaalsContact O-OE1 3.14Å; G786-Q789 PolarHBondContact O-N 2.92Å; I787-Q789 VanDerWaalsContact C-N 3.27Å; I787-Q789 PolarHBondContact O-N 3.38Å; Q789-F791 VanDerWaalsContact C-N 3.29Å; Q789-F791 PolarHBondContact O-N 2.83Å; Q789-V792 PolarHBondContact O-N 3.46Å; Q789-N793 VanDerWaalsContact O-CB 3.3Å; Q789-N793 WeakPolarHBondContact O-CB 3.12Å; Q789-N793 PolarHBondContact O-N 3.43Å; Q789-N793 PolarHBondContact O-ND2 3.09Å |
| 790 | L | 86.9 | Confident | 85.9 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -37.9 | 173.2 | -73.3 | -178.8 | 0 | 0 | 0 | 112.5 | L617 S621 G786 I787 G794 L802 L806 | L617-L790 HydrophobicContact CB-CD1 3.98Å; L617-L790 HydrophobicContact CB-CD2 4.22Å; L617-L790 WeakPolarHBondContact O-CD1 3.32Å; S621-L790 VanDerWaalsContact CB-CD1 3.45Å; S621-L790 WeakPolarHBondContact OG-CD1 3.28Å; G786-L790 PolarHBondContact O-N 2.89Å; I787-L790 CarbonylContact O-C 3.54Å; I787-L790 WeakPolarHBondContact O-CA 3.25Å; I787-L790 WeakPolarHBondContact O-CB 3.49Å; I787-L790 PolarHBondContact O-N 3.43Å; I787-L790 VanDerWaalsContact O-N 3.11Å; L790-G794 WeakPolarHBondContact O-CA 3.23Å; L790-G794 PolarHBondContact O-N 3.29Å; L790-L802 HydrophobicContact CB-CD2 4.49Å; L790-L802 HydrophobicContact CD2-CD2 4.44Å; L790-L802 WeakPolarHBondContact O-CD2 3.42Å; L790-L806 HydrophobicContact CB-CD1 3.86Å |
| 791 | F | 83.9 | Confident | 85.8 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 26% | 0.259 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.1 | -48.4 | 178.7 | -162.8 | -85 | 0 | 0 | 0 | 111 | M776 I787 G788 Q789 G794 A795 L806 | M776-F791 HydrophobicContact CG-CB 4.45Å; M776-F791 HydrophobicContact SD-CB 4.05Å; M776-F791 HydrophobicContact SD-CD1 3.54Å; M776-F791 VanDerWaalsContact SD-CD1 3.54Å; M776-F791 HydrophobicContact SD-CE1 4.28Å; M776-F791 HydrophobicContact SD-CG 3.97Å; I787-F791 PolarHBondContact O-N 3.42Å; G788-F791 PolarHBondContact O-N 2.84Å; Q789-F791 VanDerWaalsContact C-N 3.29Å; Q789-F791 PolarHBondContact O-N 2.83Å; F791-G794 PolarHBondContact O-N 3.11Å; F791-A795 WeakPolarHBondContact O-CB 3.41Å; F791-A795 PolarHBondContact O-N 3Å; F791-L806 HydrophobicContact CB-CD1 3.96Å; F791-L806 HydrophobicContact CD2-CB 3.7Å; F791-L806 HydrophobicContact CD2-CD1 3.99Å; F791-L806 HydrophobicContact CE2-CB 4.17Å; F791-L806 HydrophobicContact CG-CD1 4.44Å |
| 792 | V | 82.5 | Confident | 85.8 | Confident | 46 Ų | 46 | 34.8 Ų | 34.8 | 28% | 0.279 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | M776 G788 Q789 G794 A795 L796 | M776-V792 HydrophobicContact CB-CG2 4.39Å; G788-V792 WeakPolarHBondContact O-CG2 3.38Å; G788-V792 PolarHBondContact O-N 3.28Å; G788-V792 VanDerWaalsContact O-N 3.09Å; Q789-V792 PolarHBondContact O-N 3.46Å; V792-G794 PolarHBondContact O-N 2.8Å; V792-A795 PolarHBondContact O-N 3.39Å; V792-L796 HydrophobicContact CG1-CD1 3.76Å; V792-L796 HydrophobicContact CG1-CG 4.31Å; V792-L796 WeakPolarHBondContact O-CB 3.48Å; V792-L796 VanDerWaalsContact O-CG 3.3Å; V792-L796 WeakPolarHBondContact O-CG 3.37Å; V792-L796 PolarHBondContact O-N 3.25Å |
| 793 | N | 85.4 | Confident | 85.6 | Confident | 43 Ų | 43 | 35.3 Ų | 35.3 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 179.1 | -71.3 | -15.8 | 0 | 0 | 0 | 112.1 | Y609 Q789 N797 | Y609-N793 PolarHBondContact OH-ND2 3.06Å; Q789-N793 VanDerWaalsContact O-CB 3.3Å; Q789-N793 WeakPolarHBondContact O-CB 3.12Å; Q789-N793 PolarHBondContact O-N 3.43Å; Q789-N793 PolarHBondContact O-ND2 3.09Å; N793-N797 WeakPolarHBondContact O-CB 3.34Å; N793-N797 VanDerWaalsContact O-CG 3.3Å; N793-N797 PolarHBondContact O-N 3.32Å; N793-N797 PolarHBondContact O-ND2 3.27Å |
| 794 | G | 85 | Confident | 85.6 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L790 F791 V792 R798 D799 V803 | L790-G794 WeakPolarHBondContact O-CA 3.23Å; L790-G794 PolarHBondContact O-N 3.29Å; F791-G794 PolarHBondContact O-N 3.11Å; V792-G794 PolarHBondContact O-N 2.8Å; G794-R798 CarbonylContact O-C 3.59Å; G794-R798 WeakPolarHBondContact O-CA 3.39Å; G794-R798 PolarHBondContact O-N 2.9Å; G794-D799 PolarHBondContact O-N 3.49Å; G794-V803 WeakPolarHBondContact O-CG2 3.5Å |
| 795 | A | 81.7 | Confident | 85.5 | Confident | 52 Ų | 52 | 33.7 Ų | 33.7 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.4 | -50.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | F791 V792 N797 R798 V803 | F791-A795 WeakPolarHBondContact O-CB 3.41Å; F791-A795 PolarHBondContact O-N 3Å; V792-A795 PolarHBondContact O-N 3.39Å; A795-N797 VanDerWaalsContact C-N 3.32Å; A795-N797 PolarHBondContact O-N 3.47Å; A795-R798 PolarHBondContact O-N 3.36Å; A795-R798 VanDerWaalsContact O-N 3.09Å; A795-V803 HydrophobicContact CB-CG2 4.48Å |
| 796 | L | 82.1 | Confident | 85.4 | Confident | 132 Ų | 132 | 31 Ų | 31 | 69% | 0.691 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -61.6 | -40.2 | 179.8 | -72.3 | 175.1 | 0 | 0 | 0 | 112.1 | V792 R798 | V792-L796 HydrophobicContact CG1-CD1 3.76Å; V792-L796 HydrophobicContact CG1-CG 4.31Å; V792-L796 WeakPolarHBondContact O-CB 3.48Å; V792-L796 VanDerWaalsContact O-CG 3.3Å; V792-L796 WeakPolarHBondContact O-CG 3.37Å; V792-L796 PolarHBondContact O-N 3.25Å; L796-R798 VanDerWaalsContact C-N 3.27Å; L796-R798 PolarHBondContact O-N 3.3Å |
| 797 | N | 82.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 32.8 Ų | 32.8 | 34% | 0.342 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.2 | 178.8 | -65.5 | -58.9 | 0 | 0 | 0 | 113.6 | K608 N793 A795 D799 | K608-N797 HydrophobicContact CB-CB 4.48Å; K608-N797 HydrophobicContact CD-CB 3.97Å; K608-N797 WeakPolarHBondContact CE-O 3.22Å; K608-N797 HydrophobicContact CG-CB 3.75Å; N793-N797 WeakPolarHBondContact O-CB 3.34Å; N793-N797 VanDerWaalsContact O-CG 3.3Å; N793-N797 PolarHBondContact O-N 3.32Å; N793-N797 PolarHBondContact O-ND2 3.27Å; A795-N797 VanDerWaalsContact C-N 3.32Å; A795-N797 PolarHBondContact O-N 3.47Å; N797-D799 PolarHBondContact O-N 3.03Å |
| 798 | R | 81.1 | Confident | 85.4 | Confident | 111 Ų | 111 | 32.6 Ų | 32.6 | 42% | 0.419 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 37 | -174 | -60.9 | 178.1 | 173.7 | 174.2 | -7.8 | 112.1 | P562 T564 G794 A795 L796 Y800 | P562-R798 VanDerWaalsContact CB-O 3.24Å; P562-R798 WeakPolarHBondContact CB-O 3.27Å; P562-R798 VanDerWaalsContact CG-O 3.23Å; P562-R798 WeakPolarHBondContact CG-O 3.39Å; T564-R798 PolarHBondContact OG1-NH1 2.87Å; G794-R798 CarbonylContact O-C 3.59Å; G794-R798 WeakPolarHBondContact O-CA 3.39Å; G794-R798 PolarHBondContact O-N 2.9Å; A795-R798 PolarHBondContact O-N 3.36Å; A795-R798 VanDerWaalsContact O-N 3.09Å; L796-R798 VanDerWaalsContact C-N 3.27Å; L796-R798 PolarHBondContact O-N 3.3Å; R798-Y800 HydrophobicContact CB-CE1 4.01Å; R798-Y800 WeakPolarHBondContact O-CD1 3.23Å; R798-Y800 WeakPolarHBondContact O-CE1 3.46Å; R798-Y800 PolarHBondContact O-N 2.95Å |
| 799 | D | 86.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -76.4 | 92.3 | 175.6 | -171.6 | -14.6 | 0 | 0 | 0 | 109.3 | S606 F607 K608 G794 N797 S801 L802 V803 | S606-D799 WeakPolarHBondContact CB-OD2 3.3Å; S606-D799 PolarHBondContact OG-OD2 3.41Å; F607-D799 VanDerWaalsContact CD2-OD1 3.31Å; F607-D799 WeakPolarHBondContact CD2-OD1 3.41Å; F607-D799 PolarHBondContact N-OD1 3.34Å; F607-D799 VanDerWaalsContact N-OD1 3.14Å; F607-D799 PolarHBondContact N-OD2 2.88Å; K608-D799 HydrophobicContact CG-CB 4.2Å; G794-D799 PolarHBondContact O-N 3.49Å; N797-D799 PolarHBondContact O-N 3.03Å; D799-S801 VanDerWaalsContact C-N 3.32Å; D799-S801 PolarHBondContact O-N 3.35Å; D799-L802 HydrophobicContact CB-CB 3.97Å; D799-L802 PolarHBondContact O-N 2.88Å; D799-L802 PolarHBondContact OD1-N 3.46Å; D799-V803 WeakPolarHBondContact O-CG2 3.26Å; D799-V803 PolarHBondContact O-N 2.88Å | ||
| 800 | Y | 84.8 | Confident | 85.6 | Confident | 13 Ų | 13 | 33 Ų | 33 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.5 | -43.4 | -172.5 | -59.3 | -16.6 | 0 | 0 | 0 | 112.7 | M555 G560 S561 P562 R798 L802 V803 L804 | M555-Y800 HydrophobicContact CE-CD1 3.53Å; M555-Y800 HydrophobicContact CE-CE1 4.16Å; M555-Y800 HydrophobicContact CE-CG 4.31Å; G560-Y800 VanDerWaalsContact C-OH 3.31Å; G560-Y800 PolarHBondContact O-OH 3Å; S561-Y800 WeakPolarHBondContact CA-OH 3.37Å; P562-Y800 VanDerWaalsContact CD-CE2 3.47Å; P562-Y800 HydrophobicContact CG-CD1 4.07Å; P562-Y800 HydrophobicContact CG-CD2 3.71Å; P562-Y800 HydrophobicContact CG-CE1 4.07Å; P562-Y800 HydrophobicContact CG-CE2 3.74Å; P562-Y800 HydrophobicContact CG-CG 3.9Å; R798-Y800 HydrophobicContact CB-CE1 4.01Å; R798-Y800 WeakPolarHBondContact O-CD1 3.23Å; R798-Y800 WeakPolarHBondContact O-CE1 3.46Å; R798-Y800 PolarHBondContact O-N 2.95Å; Y800-L802 VanDerWaalsContact C-N 3.34Å; Y800-L802 PolarHBondContact O-N 3.47Å; Y800-V803 PolarHBondContact O-N 3.44Å; Y800-L804 WeakPolarHBondContact O-CB 3.4Å; Y800-L804 VanDerWaalsContact O-CG 3.23Å; Y800-L804 WeakPolarHBondContact O-CG 3.49Å; Y800-L804 PolarHBondContact O-N 2.92Å |
| 801 | S | 86 | Confident | 85.6 | Confident | 14 Ų | 14 | 32.8 Ų | 32.8 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | -179.9 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | P605 F607 D799 S805 | P605-S801 VanDerWaalsContact O-CB 3.26Å; P605-S801 WeakPolarHBondContact O-CB 3.28Å; P605-S801 PolarHBondContact O-OG 3.4Å; P605-S801 VanDerWaalsContact O-OG 3.13Å; F607-S801 WeakPolarHBondContact CE2-OG 3.4Å; F607-S801 VanDerWaalsContact CZ-OG 3.28Å; F607-S801 WeakPolarHBondContact CZ-OG 3.45Å; D799-S801 VanDerWaalsContact C-N 3.32Å; D799-S801 PolarHBondContact O-N 3.35Å; S801-S805 WeakPolarHBondContact O-CB 3.23Å; S801-S805 PolarHBondContact O-N 3.09Å; S801-S805 PolarHBondContact O-OG 2.87Å |
| 802 | L | 88.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -47.2 | -178.8 | -174.2 | 59.1 | 0 | 0 | 0 | 111.7 | Y609 V614 L617 L790 D799 Y800 S805 L806 | Y609-L802 HydrophobicContact CE2-CD2 4.14Å; V614-L802 HydrophobicContact CG1-CD1 3.84Å; V614-L802 HydrophobicContact CG2-CB 4.33Å; V614-L802 HydrophobicContact CG2-CD1 4.47Å; L617-L802 HydrophobicContact CD1-CD1 4.23Å; L617-L802 HydrophobicContact CD1-CD2 4.42Å; L790-L802 HydrophobicContact CB-CD2 4.49Å; L790-L802 HydrophobicContact CD2-CD2 4.44Å; L790-L802 WeakPolarHBondContact O-CD2 3.42Å; D799-L802 HydrophobicContact CB-CB 3.97Å; D799-L802 PolarHBondContact O-N 2.88Å; D799-L802 PolarHBondContact OD1-N 3.46Å; Y800-L802 VanDerWaalsContact C-N 3.34Å; Y800-L802 PolarHBondContact O-N 3.47Å; L802-S805 PolarHBondContact O-N 2.81Å; L802-L806 HydrophobicContact CD1-CD1 3.98Å; L802-L806 HydrophobicContact CD1-CG 4.19Å; L802-L806 HydrophobicContact CG-CD1 4.09Å; L802-L806 WeakPolarHBondContact O-CB 3.36Å; L802-L806 VanDerWaalsContact O-CG 3.26Å; L802-L806 WeakPolarHBondContact O-CG 3.34Å; L802-L806 PolarHBondContact O-N 2.82Å |
| 803 | V | 87.8 | Confident | 85.9 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | M555 G794 A795 D799 Y800 T807 | M555-V803 HydrophobicContact CE-CB 3.9Å; M555-V803 HydrophobicContact CE-CG1 3.9Å; M555-V803 HydrophobicContact CE-CG2 4.33Å; M555-V803 HydrophobicContact SD-CB 4.46Å; M555-V803 HydrophobicContact SD-CG1 3.83Å; G794-V803 WeakPolarHBondContact O-CG2 3.5Å; A795-V803 HydrophobicContact CB-CG2 4.48Å; D799-V803 WeakPolarHBondContact O-CG2 3.26Å; D799-V803 PolarHBondContact O-N 2.88Å; Y800-V803 PolarHBondContact O-N 3.44Å; V803-T807 WeakPolarHBondContact O-CB 2.89Å; V803-T807 PolarHBondContact O-N 3.41Å; V803-T807 PolarHBondContact O-OG1 3.49Å |
| 804 | L | 88.7 | Confident | 85.9 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 178.9 | -73.8 | 172.3 | 0 | 0 | 0 | 111.7 | S551 F552 M555 Y594 Y800 T807 I808 | S551-L804 VanDerWaalsContact O-CD2 3.27Å; S551-L804 WeakPolarHBondContact O-CD2 3.26Å; F552-L804 HydrophobicContact CD2-CD1 4.16Å; M555-L804 HydrophobicContact CB-CD1 4.46Å; M555-L804 HydrophobicContact CB-CD2 4.03Å; M555-L804 HydrophobicContact CB-CG 4.27Å; M555-L804 HydrophobicContact CG-CD2 3.56Å; M555-L804 HydrophobicContact CG-CG 3.92Å; Y594-L804 WeakPolarHBondContact OH-CB 3.44Å; Y800-L804 WeakPolarHBondContact O-CB 3.4Å; Y800-L804 VanDerWaalsContact O-CG 3.23Å; Y800-L804 WeakPolarHBondContact O-CG 3.49Å; Y800-L804 PolarHBondContact O-N 2.92Å; L804-T807 WeakPolarHBondContact O-CB 3.2Å; L804-T807 PolarHBondContact O-N 2.82Å; L804-I808 WeakPolarHBondContact O-CD1 3.42Å; L804-I808 VanDerWaalsContact O-CG1 3.3Å; L804-I808 WeakPolarHBondContact O-CG1 3.34Å; L804-I808 PolarHBondContact O-N 3.47Å |
| 805 | S | 87.8 | Confident | 85.9 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | -177.3 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | F603 S801 L802 T807 I808 L809 | F603-S805 WeakPolarHBondContact CB-OG 3.18Å; F603-S805 VanDerWaalsContact CD1-OG 3.29Å; F603-S805 WeakPolarHBondContact CD1-OG 3.49Å; S801-S805 WeakPolarHBondContact O-CB 3.23Å; S801-S805 PolarHBondContact O-N 3.09Å; S801-S805 PolarHBondContact O-OG 2.87Å; L802-S805 PolarHBondContact O-N 2.81Å; S805-T807 VanDerWaalsContact C-N 3.35Å; S805-I808 PolarHBondContact O-N 3.01Å; S805-L809 WeakPolarHBondContact O-CB 3.27Å; S805-L809 PolarHBondContact O-N 3.28Å |
| 806 | L | 87.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.5 | -67.6 | 177.4 | 0 | 0 | 0 | 111.6 | V618 I787 L790 F791 L802 I808 L809 V810 | V618-L806 HydrophobicContact CG2-CD2 3.73Å; I787-L806 HydrophobicContact CD1-CD2 4.4Å; I787-L806 HydrophobicContact CG1-CD2 4.25Å; I787-L806 HydrophobicContact CG2-CD1 4.46Å; I787-L806 HydrophobicContact CG2-CD2 3.78Å; L790-L806 HydrophobicContact CB-CD1 3.86Å; F791-L806 HydrophobicContact CB-CD1 3.96Å; F791-L806 HydrophobicContact CD2-CB 3.7Å; F791-L806 HydrophobicContact CD2-CD1 3.99Å; F791-L806 HydrophobicContact CE2-CB 4.17Å; F791-L806 HydrophobicContact CG-CD1 4.44Å; L802-L806 HydrophobicContact CD1-CD1 3.98Å; L802-L806 HydrophobicContact CD1-CG 4.19Å; L802-L806 HydrophobicContact CG-CD1 4.09Å; L802-L806 WeakPolarHBondContact O-CB 3.36Å; L802-L806 VanDerWaalsContact O-CG 3.26Å; L802-L806 WeakPolarHBondContact O-CG 3.34Å; L802-L806 PolarHBondContact O-N 2.82Å; L806-I808 VanDerWaalsContact C-N 3.34Å; L806-I808 PolarHBondContact O-N 2.84Å; L806-L809 HydrophobicContact CD2-CD2 4.43Å; L806-L809 PolarHBondContact O-N 2.95Å; L806-V810 VanDerWaalsContact O-CG2 3.3Å; L806-V810 WeakPolarHBondContact O-CG2 3.49Å; L806-V810 PolarHBondContact O-N 3.27Å |
| 807 | T | 88 | Confident | 86.1 | Confident | 40 Ų | 40 | 30.8 Ų | 30.8 | 25% | 0.245 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | V803 L804 S805 V810 G811 | V803-T807 WeakPolarHBondContact O-CB 2.89Å; V803-T807 PolarHBondContact O-N 3.41Å; V803-T807 PolarHBondContact O-OG1 3.49Å; L804-T807 WeakPolarHBondContact O-CB 3.2Å; L804-T807 PolarHBondContact O-N 2.82Å; S805-T807 VanDerWaalsContact C-N 3.35Å; T807-V810 PolarHBondContact O-N 3.14Å; T807-G811 PolarHBondContact O-N 2.85Å |
| 808 | I | 88.4 | Confident | 85.8 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 5% | 0.046 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -40.6 | 177.2 | -67.2 | 161.7 | 0 | 0 | 0 | 111.1 | L544 L547 I548 Y594 L598 L804 S805 L806 V810 G811 A812 | L544-I808 HydrophobicContact CD1-CG2 4.29Å; L547-I808 HydrophobicContact CD2-CG1 4.02Å; I548-I808 HydrophobicContact CB-CD1 4.46Å; I548-I808 HydrophobicContact CG1-CD1 3.78Å; I548-I808 HydrophobicContact CG1-CG1 3.76Å; I548-I808 HydrophobicContact CG1-CG2 4.24Å; I548-I808 HydrophobicContact CG2-CD1 4.32Å; Y594-I808 HydrophobicContact CE1-CD1 4.04Å; Y594-I808 WeakPolarHBondContact OH-CD1 3.26Å; L598-I808 HydrophobicContact CD1-CD1 4.27Å; L598-I808 HydrophobicContact CD1-CG2 4.38Å; L598-I808 HydrophobicContact CD2-CD1 3.96Å; L598-I808 HydrophobicContact CD2-CG2 4.38Å; L804-I808 WeakPolarHBondContact O-CD1 3.42Å; L804-I808 VanDerWaalsContact O-CG1 3.3Å; L804-I808 WeakPolarHBondContact O-CG1 3.34Å; L804-I808 PolarHBondContact O-N 3.47Å; S805-I808 PolarHBondContact O-N 3.01Å; L806-I808 VanDerWaalsContact C-N 3.34Å; L806-I808 PolarHBondContact O-N 2.84Å; I808-V810 VanDerWaalsContact C-N 3.34Å; I808-V810 PolarHBondContact O-N 3Å; I808-G811 PolarHBondContact O-N 3.04Å; I808-A812 VanDerWaalsContact O-CB 3.27Å; I808-A812 WeakPolarHBondContact O-CB 3.36Å; I808-A812 PolarHBondContact O-N 2.97Å |
| 809 | L | 86.7 | Confident | 85.6 | Confident | 35 Ų | 35 | 26.9 Ų | 26.9 | 18% | 0.183 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 175.5 | -178.9 | 67.3 | 0 | 0 | 0 | 111 | V618 F622 I787 S805 L806 A812 L813 | V618-L809 HydrophobicContact CG1-CD2 3.9Å; F622-L809 HydrophobicContact CD2-CD2 4.17Å; I787-L809 HydrophobicContact CD1-CD2 3.7Å; S805-L809 WeakPolarHBondContact O-CB 3.27Å; S805-L809 PolarHBondContact O-N 3.28Å; L806-L809 HydrophobicContact CD2-CD2 4.43Å; L806-L809 PolarHBondContact O-N 2.95Å; L809-A812 PolarHBondContact O-N 3.45Å; L809-L813 HydrophobicContact CD1-CD1 4.4Å; L809-L813 HydrophobicContact CG-CD1 4.16Å; L809-L813 WeakPolarHBondContact O-CB 3.3Å; L809-L813 VanDerWaalsContact O-CG 3.27Å; L809-L813 WeakPolarHBondContact O-CG 3.16Å; L809-L813 PolarHBondContact O-N 2.85Å |
| 810 | V | 85 | Confident | 85.3 | Confident | 40 Ų | 40 | 30.3 Ų | 30.3 | 24% | 0.242 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | T773 L806 T807 I808 L813 T814 | T773-V810 HydrophobicContact CG2-CB 4.17Å; T773-V810 HydrophobicContact CG2-CG1 3.87Å; T773-V810 HydrophobicContact CG2-CG2 3.53Å; L806-V810 VanDerWaalsContact O-CG2 3.3Å; L806-V810 WeakPolarHBondContact O-CG2 3.49Å; L806-V810 PolarHBondContact O-N 3.27Å; T807-V810 PolarHBondContact O-N 3.14Å; I808-V810 VanDerWaalsContact C-N 3.34Å; I808-V810 PolarHBondContact O-N 3Å; V810-L813 PolarHBondContact O-N 2.98Å; V810-T814 WeakPolarHBondContact O-CB 3.45Å; V810-T814 PolarHBondContact O-N 2.91Å; V810-T814 PolarHBondContact O-OG1 3.33Å |
| 811 | G | 87.5 | Confident | 84.8 | Confident | 7 Ų | 7 | 30.4 Ų | 30.4 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T807 I808 T814 I815 | T807-G811 PolarHBondContact O-N 2.85Å; I808-G811 PolarHBondContact O-N 3.04Å; G811-T814 WeakPolarHBondContact O-CB 3.5Å; G811-T814 PolarHBondContact O-N 3.3Å; G811-I815 WeakPolarHBondContact O-CG1 3.22Å; G811-I815 PolarHBondContact O-N 2.94Å |
| 812 | A | 87.5 | Confident | 83.9 | Confident | 36 Ų | 36 | 32.1 Ų | 32.1 | 30% | 0.298 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L544 I808 L809 T814 I815 L816 | L544-A812 HydrophobicContact CD1-CB 4.19Å; I808-A812 VanDerWaalsContact O-CB 3.27Å; I808-A812 WeakPolarHBondContact O-CB 3.36Å; I808-A812 PolarHBondContact O-N 2.97Å; L809-A812 PolarHBondContact O-N 3.45Å; A812-T814 VanDerWaalsContact C-N 3.32Å; A812-T814 PolarHBondContact O-N 3.26Å; A812-I815 PolarHBondContact O-N 2.95Å; A812-L816 WeakPolarHBondContact O-CB 3.19Å; A812-L816 PolarHBondContact O-N 3.43Å |
| 813 | L | 85.9 | Confident | 83 | Confident | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.141 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 174 | -72.1 | 169.6 | 0 | 0 | 0 | 111.3 | F622 L809 V810 I815 L816 F817 | F622-L813 HydrophobicContact CE2-CD1 3.93Å; L809-L813 HydrophobicContact CD1-CD1 4.4Å; L809-L813 HydrophobicContact CG-CD1 4.16Å; L809-L813 WeakPolarHBondContact O-CB 3.3Å; L809-L813 VanDerWaalsContact O-CG 3.27Å; L809-L813 WeakPolarHBondContact O-CG 3.16Å; L809-L813 PolarHBondContact O-N 2.85Å; V810-L813 PolarHBondContact O-N 2.98Å; L813-I815 PolarHBondContact O-N 3.44Å; L813-L816 PolarHBondContact O-N 3.5Å; L813-F817 HydrophobicContact CD2-CE2 4.23Å; L813-F817 VanDerWaalsContact O-CD2 3.31Å; L813-F817 WeakPolarHBondContact O-CD2 3.18Å; L813-F817 PolarHBondContact O-N 3.17Å |
| 814 | T | 84 | Confident | 82.2 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 28% | 0.282 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.8 | -50.4 | 176.4 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | V769 V810 G811 A812 N818 | V769-T814 WeakPolarHBondContact CG1-OG1 3.38Å; V810-T814 WeakPolarHBondContact O-CB 3.45Å; V810-T814 PolarHBondContact O-N 2.91Å; V810-T814 PolarHBondContact O-OG1 3.33Å; G811-T814 WeakPolarHBondContact O-CB 3.5Å; G811-T814 PolarHBondContact O-N 3.3Å; A812-T814 VanDerWaalsContact C-N 3.32Å; A812-T814 PolarHBondContact O-N 3.26Å; T814-N818 WeakPolarHBondContact O-CB 3.47Å; T814-N818 PolarHBondContact O-N 3.34Å; T814-N818 PolarHBondContact O-ND2 3.21Å |
| 815 | I | 84.9 | Confident | 81 | Confident | 38 Ų | 38 | 40.6 Ų | 40.6 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | -179.9 | -65.8 | 166.8 | 0 | 0 | 0 | 110.8 | A540 T543 L544 G811 A812 L813 A819 | A540-I815 HydrophobicContact CB-CG2 3.37Å; T543-I815 HydrophobicContact CG2-CD1 3.96Å; T543-I815 HydrophobicContact CG2-CG1 4.47Å; L544-I815 HydrophobicContact CB-CD1 4.06Å; L544-I815 HydrophobicContact CD1-CD1 4.26Å; G811-I815 WeakPolarHBondContact O-CG1 3.22Å; G811-I815 PolarHBondContact O-N 2.94Å; A812-I815 PolarHBondContact O-N 2.95Å; L813-I815 PolarHBondContact O-N 3.44Å; I815-A819 WeakPolarHBondContact O-CB 3.35Å; I815-A819 PolarHBondContact O-N 2.93Å |
| 816 | L | 86.1 | Confident | 79.6 | Confident | 96 Ų | 96 | 41.3 Ų | 41.3 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -49.8 | 178.9 | 177.6 | 63.5 | 0 | 0 | 0 | 112.1 | A812 L813 N818 A819 I820 | A812-L816 WeakPolarHBondContact O-CB 3.19Å; A812-L816 PolarHBondContact O-N 3.43Å; L813-L816 PolarHBondContact O-N 3.5Å; L816-N818 PolarHBondContact O-N 2.83Å; L816-A819 WeakPolarHBondContact O-CB 3.48Å; L816-A819 PolarHBondContact O-N 3.18Å; L816-I820 HydrophobicContact CD1-CD1 4.31Å; L816-I820 HydrophobicContact CG-CD1 4.1Å; L816-I820 WeakPolarHBondContact O-CG1 3.23Å; L816-I820 PolarHBondContact O-N 2.91Å |
| 817 | F | 82.8 | Confident | 78.5 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 21% | 0.211 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | -178.7 | -85.8 | -79 | 0 | 0 | 0 | 112.3 | F768 V769 L813 I820 V821 | F768-F817 AromaticContact CD1-CD1 3.78Å; F768-F817 HydrophobicContact CD1-CD1 3.78Å; F768-F817 AromaticContact CD1-CD2 3.97Å; F768-F817 HydrophobicContact CD1-CD2 3.97Å; F768-F817 AromaticContact CD1-CE1 3.38Å; F768-F817 HydrophobicContact CD1-CE1 3.38Å; F768-F817 AromaticContact CD1-CE2 3.6Å; F768-F817 HydrophobicContact CD1-CE2 3.6Å; F768-F817 HydrophobicContact CD1-CG 4.08Å; F768-F817 AromaticContact CD1-CZ 3.31Å; F768-F817 HydrophobicContact CD1-CZ 3.31Å; F768-F817 HydrophobicContact CE1-CD1 4.34Å; F768-F817 HydrophobicContact CE1-CD2 4.34Å; F768-F817 AromaticContact CE1-CE1 3.5Å; F768-F817 HydrophobicContact CE1-CE1 3.5Å; F768-F817 VanDerWaalsContact CE1-CE1 3.5Å; F768-F817 AromaticContact CE1-CE2 3.51Å; F768-F817 HydrophobicContact CE1-CE2 3.51Å; F768-F817 AromaticContact CE1-CZ 3.03Å; F768-F817 HydrophobicContact CE1-CZ 3.03Å; F768-F817 HydrophobicContact CG-CD1 4.35Å; F768-F817 HydrophobicContact CG-CE1 4.09Å; F768-F817 HydrophobicContact CG-CZ 4.39Å; F768-F817 HydrophobicContact CZ-CE1 4.29Å; F768-F817 AromaticContact CZ-CZ 3.97Å; F768-F817 HydrophobicContact CZ-CZ 3.97Å; V769-F817 HydrophobicContact CG2-CB 3.73Å; V769-F817 HydrophobicContact CG2-CD2 3.95Å; V769-F817 HydrophobicContact CG2-CG 4.05Å; L813-F817 HydrophobicContact CD2-CE2 4.23Å; L813-F817 VanDerWaalsContact O-CD2 3.31Å; L813-F817 WeakPolarHBondContact O-CD2 3.18Å; L813-F817 PolarHBondContact O-N 3.17Å; F817-I820 HydrophobicContact CD1-CD1 4.35Å; F817-I820 HydrophobicContact CE1-CD1 4.43Å; F817-I820 PolarHBondContact O-N 3.33Å; F817-V821 WeakPolarHBondContact O-CG2 3.47Å; F817-V821 PolarHBondContact O-N 3.39Å |
| 818 | N | 75.8 | Confident | 76.9 | Confident | 63 Ų | 63 | 49.2 Ų | 49.2 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 171.3 | -72.7 | -12.4 | 0 | 0 | 0 | 111.3 | T814 L816 I820 V821 D822 | T814-N818 WeakPolarHBondContact O-CB 3.47Å; T814-N818 PolarHBondContact O-N 3.34Å; T814-N818 PolarHBondContact O-ND2 3.21Å; L816-N818 PolarHBondContact O-N 2.83Å; N818-I820 PolarHBondContact O-N 2.93Å; N818-V821 PolarHBondContact O-N 2.95Å; N818-D822 PolarHBondContact O-N 3Å |
| 819 | A | 76.8 | Confident | 75 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I815 L816 V821 D822 V823 | I815-A819 WeakPolarHBondContact O-CB 3.35Å; I815-A819 PolarHBondContact O-N 2.93Å; L816-A819 WeakPolarHBondContact O-CB 3.48Å; L816-A819 PolarHBondContact O-N 3.18Å; A819-V821 VanDerWaalsContact C-N 3.35Å; A819-D822 PolarHBondContact O-N 2.87Å; A819-V823 WeakPolarHBondContact O-CG2 3.22Å; A819-V823 PolarHBondContact O-N 3.48Å |
| 820 | I | 80.9 | Confident | 72.9 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.3 | -69.2 | 166.9 | 0 | 0 | 0 | 110.5 | L816 F817 N818 V823 L824 | L816-I820 HydrophobicContact CD1-CD1 4.31Å; L816-I820 HydrophobicContact CG-CD1 4.1Å; L816-I820 WeakPolarHBondContact O-CG1 3.23Å; L816-I820 PolarHBondContact O-N 2.91Å; F817-I820 HydrophobicContact CD1-CD1 4.35Å; F817-I820 HydrophobicContact CE1-CD1 4.43Å; F817-I820 PolarHBondContact O-N 3.33Å; N818-I820 PolarHBondContact O-N 2.93Å; I820-V823 PolarHBondContact O-N 2.77Å; I820-L824 HydrophobicContact CG2-CD1 3.91Å; I820-L824 HydrophobicContact CG2-CG 4.26Å; I820-L824 WeakPolarHBondContact O-CB 3.38Å; I820-L824 VanDerWaalsContact O-CG 3.28Å; I820-L824 WeakPolarHBondContact O-CG 3.4Å; I820-L824 PolarHBondContact O-N 3.42Å |
| 821 | V | 73.5 | Confident | 70.7 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | F817 N818 A819 V823 L824 Y825 | F817-V821 WeakPolarHBondContact O-CG2 3.47Å; F817-V821 PolarHBondContact O-N 3.39Å; N818-V821 PolarHBondContact O-N 2.95Å; A819-V821 VanDerWaalsContact C-N 3.35Å; V821-V823 VanDerWaalsContact C-N 3.31Å; V821-V823 PolarHBondContact O-N 3.33Å; V821-L824 PolarHBondContact O-N 3.46Å; V821-Y825 HydrophobicContact CG1-CD2 3.78Å; V821-Y825 HydrophobicContact CG1-CE2 3.95Å; V821-Y825 WeakPolarHBondContact O-CD2 3.21Å; V821-Y825 PolarHBondContact O-N 2.92Å |
| 822 | D | 68 | Low | 68.3 | Low | 49 Ų | 49 | 62.6 Ų | 62.6 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 177.2 | -73 | -14.6 | 0 | 0 | 0 | 111.9 | F532 R536 N818 A819 Y825 A826 | F532-D822 HydrophobicContact CE1-CB 4.42Å; F532-D822 HydrophobicContact CZ-CB 4.31Å; R536-D822 IonicContact CZ-OD2 3.71Å; R536-D822 IonicContact NH1-OD2 3.39Å; R536-D822 PolarHBondContact NH1-OD2 2.89Å; N818-D822 PolarHBondContact O-N 3Å; A819-D822 PolarHBondContact O-N 2.87Å; D822-Y825 WeakPolarHBondContact O-CB 3.4Å; D822-Y825 PolarHBondContact O-N 3.34Å; D822-A826 WeakPolarHBondContact O-CB 3.47Å; D822-A826 PolarHBondContact O-N 2.91Å |
| 823 | V | 69.6 | Low | 65.6 | Low | 61 Ų | 61 | 65.5 Ų | 65.5 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 112 | I533 A819 I820 V821 Y825 A826 K827 | I533-V823 HydrophobicContact CG1-CG2 4.2Å; A819-V823 WeakPolarHBondContact O-CG2 3.22Å; A819-V823 PolarHBondContact O-N 3.48Å; I820-V823 PolarHBondContact O-N 2.77Å; V821-V823 VanDerWaalsContact C-N 3.31Å; V821-V823 PolarHBondContact O-N 3.33Å; V823-Y825 VanDerWaalsContact C-N 3.28Å; V823-Y825 PolarHBondContact O-N 2.92Å; V823-A826 PolarHBondContact O-N 3.26Å; V823-K827 PolarHBondContact O-N 3.46Å |
| 824 | L | 70.3 | Confident | 63.1 | Low | 72 Ų | 72 | 67.7 Ų | 67.7 | 38% | 0.377 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 176.6 | -72.3 | 173.8 | 0 | 0 | 0 | 111.7 | L761 I820 V821 N828 | L761-L824 HydrophobicContact CD1-CD1 4.24Å; L761-L824 HydrophobicContact CD2-CB 4.13Å; I820-L824 HydrophobicContact CG2-CD1 3.91Å; I820-L824 HydrophobicContact CG2-CG 4.26Å; I820-L824 WeakPolarHBondContact O-CB 3.38Å; I820-L824 VanDerWaalsContact O-CG 3.28Å; I820-L824 WeakPolarHBondContact O-CG 3.4Å; I820-L824 PolarHBondContact O-N 3.42Å; V821-L824 PolarHBondContact O-N 3.46Å; L824-N828 WeakPolarHBondContact O-CB 3.34Å; L824-N828 PolarHBondContact O-N 2.81Å; L824-N828 PolarHBondContact O-ND2 3.48Å |
| 825 | Y | 63.4 | Low | 60.8 | Low | 66 Ų | 66 | 68.6 Ų | 68.6 | 26% | 0.259 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -51.5 | 170.5 | -99.8 | -83.5 | 0 | 0 | 0 | 111.2 | L758 L761 S762 V821 D822 V823 K827 N828 S829 | L758-Y825 VanDerWaalsContact C-OH 3.23Å; L758-Y825 HydrophobicContact CD2-CE1 4.38Å; L758-Y825 PolarHBondContact O-OH 3.01Å; L761-Y825 HydrophobicContact CB-CE2 4.43Å; L761-Y825 HydrophobicContact CD2-CD2 4.35Å; L761-Y825 HydrophobicContact CD2-CE2 4.28Å; L761-Y825 HydrophobicContact CG-CE2 4.4Å; S762-Y825 VanDerWaalsContact OG-CE2 3.22Å; S762-Y825 WeakPolarHBondContact OG-CE2 3.21Å; S762-Y825 VanDerWaalsContact OG-CZ 3.26Å; S762-Y825 PolarHBondContact OG-OH 3.47Å; V821-Y825 HydrophobicContact CG1-CD2 3.78Å; V821-Y825 HydrophobicContact CG1-CE2 3.95Å; V821-Y825 WeakPolarHBondContact O-CD2 3.21Å; V821-Y825 PolarHBondContact O-N 2.92Å; D822-Y825 WeakPolarHBondContact O-CB 3.4Å; D822-Y825 PolarHBondContact O-N 3.34Å; V823-Y825 VanDerWaalsContact C-N 3.28Å; V823-Y825 PolarHBondContact O-N 2.92Å; Y825-K827 VanDerWaalsContact C-N 3.3Å; Y825-K827 PolarHBondContact O-N 2.72Å; Y825-N828 PolarHBondContact O-N 2.67Å; Y825-S829 PolarHBondContact O-N 2.98Å |
| 826 | A | 59.3 | Low | 58.3 | Low | 16 Ų | 16 | 68.1 Ų | 68.1 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.6 | -28.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M529 D822 V823 S829 | M529-A826 HydrophobicContact CE-CB 3.61Å; M529-A826 WeakPolarHBondContact CE-O 3.29Å; M529-A826 HydrophobicContact SD-CB 3.65Å; D822-A826 WeakPolarHBondContact O-CB 3.47Å; D822-A826 PolarHBondContact O-N 2.91Å; V823-A826 PolarHBondContact O-N 3.26Å; A826-S829 PolarHBondContact O-OG 3Å |
| 827 | K | 63.7 | Low | 55.7 | Low | 145 Ų | 145 | 66.2 Ų | 66.2 | 63% | 0.63 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -76.6 | -35.3 | 174.2 | -173.6 | 177.7 | 179.4 | 179.2 | 0 | 112.7 | V823 Y825 S829 | V823-K827 PolarHBondContact O-N 3.46Å; Y825-K827 VanDerWaalsContact C-N 3.3Å; Y825-K827 PolarHBondContact O-N 2.72Å; K827-S829 VanDerWaalsContact C-N 3.33Å |
| 828 | N | 55.7 | Low | 53.5 | Low | 61 Ų | 61 | 69.5 Ų | 69.5 | 33% | 0.326 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -78.2 | -18.9 | -178.2 | -76.2 | -38.9 | 0 | 0 | 0 | 112.9 | L824 Y825 E830 T831 | L824-N828 WeakPolarHBondContact O-CB 3.34Å; L824-N828 PolarHBondContact O-N 2.81Å; L824-N828 PolarHBondContact O-ND2 3.48Å; Y825-N828 PolarHBondContact O-N 2.67Å; N828-E830 VanDerWaalsContact C-N 3.34Å; N828-T831 PolarHBondContact O-N 3.38Å |
| 829 | S | 48.1 | Very low | 51.2 | Low | 53 Ų | 53 | 73.5 Ų | 73.5 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.8 | -32 | 173.3 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | Y825 A826 K827 T831 | Y825-S829 PolarHBondContact O-N 2.98Å; A826-S829 PolarHBondContact O-OG 3Å; K827-S829 VanDerWaalsContact C-N 3.33Å; S829-T831 PolarHBondContact O-N 3.04Å; S829-T831 VanDerWaalsContact O-N 3.12Å |
| 830 | E | 42.6 | Very low | 49.1 | Very low | 144 Ų | 144 | 77.3 Ų | 77.3 | 67% | 0.673 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.7 | 176.7 | -104.8 | 178.6 | 172.4 | 0 | 0 | 114.1 | N828 | N828-E830 VanDerWaalsContact C-N 3.34Š|
| 831 | T | 38.7 | Very low | 47 | Very low | 102 Ų | 102 | 79.9 Ų | 79.9 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | -0.1 | -176.7 | -16.4 | 0 | 0 | 0 | 0 | 114.9 | N828 S829 | N828-T831 PolarHBondContact O-N 3.38Å; S829-T831 PolarHBondContact O-N 3.04Å; S829-T831 VanDerWaalsContact O-N 3.12Å |
| 832 | L | 36.1 | Very low | 45.2 | Very low | 74 Ų | 74 | 81.7 Ų | 81.7 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | trans | -145.8 | 91.7 | -175.2 | -74.5 | 176.5 | 0 | 0 | 0 | 112.5 | K754 N834 | K754-L832 HydrophobicContact CD-CD1 3.85Å; K754-L832 VanDerWaalsContact CE-CD1 3.43Å; K754-L832 HydrophobicContact CG-CD1 4.29Å; L832-N834 PolarHBondContact O-N 3.01Å | ||
| 833 | E | 31.4 | Very low | 43.6 | Very low | 96 Ų | 96 | 80.8 Ų | 80.8 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -68.6 | 19.7 | 175.3 | -131.2 | 168.8 | -149.2 | 0 | 0 | 114.9 | K20 | K20-E833 IonicContact NZ-OE1 2.98Å; K20-E833 PolarHBondContact NZ-OE1 3.48Å |
| 834 | N | 34.1 | Very low | 42.2 | Very low | 73 Ų | 73 | 81 Ų | 81 | 39% | 0.39 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -161.9 | 108 | 175.8 | -71.5 | -71.9 | 0 | 0 | 0 | 107.6 | R209 L832 | R209-N834 PolarHBondContact NH1-OD1 2.95Å; L832-N834 PolarHBondContact O-N 3.01Å |
| 835 | F | 36 | Very low | 41 | Very low | 65 Ų | 65 | 80.7 Ų | 80.7 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | trans | 148 | 80.2 | 151.9 | -99.1 | -100.2 | 0 | 0 | 0 | 112.8 | E248 V728 F733 P755 L758 | E248-F835 VanDerWaalsContact OE2-C 3.31Å; E248-F835 PolarHBondContact OE2-N 2.66Å; V728-F835 HydrophobicContact CB-CE1 4.49Å; V728-F835 HydrophobicContact CG2-CD1 4.19Å; V728-F835 HydrophobicContact CG2-CE1 3.58Å; V728-F835 HydrophobicContact CG2-CZ 4.28Å; F733-F835 AromaticContact CD1-CE2 3.82Å; F733-F835 HydrophobicContact CD1-CE2 3.82Å; F733-F835 HydrophobicContact CD1-CZ 4.38Å; F733-F835 HydrophobicContact CE1-CD2 4.06Å; F733-F835 AromaticContact CE1-CE2 3.1Å; F733-F835 HydrophobicContact CE1-CE2 3.1Å; F733-F835 AromaticContact CE1-CZ 3.44Å; F733-F835 HydrophobicContact CE1-CZ 3.44Å; F733-F835 VanDerWaalsContact CE1-CZ 3.44Å; F733-F835 AromaticContact CZ-CE2 3.91Å; F733-F835 HydrophobicContact CZ-CE2 3.91Å; F733-F835 HydrophobicContact CZ-CZ 4.17Å; P755-F835 HydrophobicContact CB-CB 3.86Å; P755-F835 HydrophobicContact CB-CD1 3.54Å; P755-F835 HydrophobicContact CB-CD2 4.19Å; P755-F835 HydrophobicContact CB-CE1 4.19Å; P755-F835 HydrophobicContact CB-CG 3.54Å; P755-F835 HydrophobicContact CG-CD1 4.49Å; P755-F835 HydrophobicContact CG-CG 4.5Å; L758-F835 HydrophobicContact CD1-CB 4.44Å; L758-F835 VanDerWaalsContact CD1-O 3.29Å; L758-F835 WeakPolarHBondContact CD1-O 3.45Å | ||
| 836 | S | 30.7 | Very low | 40.2 | Very low | 29 Ų | 29 | 84.3 Ų | 84.3 | 20% | 0.203 | 44% | 0.443 | C | S | . | . | trans | -143.8 | 86.9 | 157.3 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | R243 S246 E248 | R243-S836 WeakPolarHBondContact CA-OG 3.44Å; R243-S836 WeakPolarHBondContact CD-O 3.31Å; R243-S836 WeakPolarHBondContact CG-O 3.39Å; R243-S836 PolarHBondContact NE-O 3.37Å; S246-S836 VanDerWaalsContact OG-CB 3.3Å; S246-S836 WeakPolarHBondContact OG-CB 3.38Å; S246-S836 PolarHBondContact OG-OG 2.68Å; E248-S836 PolarHBondContact OE2-N 2.89Å; E248-S836 PolarHBondContact OE2-OG 3.2Å | ||
| 837 | E | 33.2 | Very low | 39.7 | Very low | 55 Ų | 55 | 93.8 Ų | 93.8 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | trans | -128.1 | 140.5 | 165.3 | -127.4 | -173.3 | 151.2 | 0 | 0 | 115 | T239 R243 | T239-E837 WeakPolarHBondContact CB-OE1 3.25Å; T239-E837 HydrophobicContact CG2-CB 4.35Å; T239-E837 HydrophobicContact CG2-CG 2.9Å; T239-E837 WeakPolarHBondContact CG2-OE1 3.3Å; T239-E837 WeakPolarHBondContact OG1-CG 3.49Å; T239-E837 PolarHBondContact OG1-OE1 2.84Å; R243-E837 HydrophobicContact CG-CG 4.4Å; R243-E837 IonicContact CZ-OE2 2.68Å; R243-E837 VanDerWaalsContact NE-CG 3.31Å; R243-E837 VanDerWaalsContact NH2-CD 3.3Å; R243-E837 IonicContact NH2-OE2 2.85Å; R243-E837 PolarHBondContact NH2-OE2 3.33Å | ||
| 838 | K | 35.3 | Very low | 39.3 | Very low | 117 Ų | 117 | 93.3 Ų | 93.3 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | trans | 71.6 | 78.6 | 150.6 | -60.3 | -162.6 | 172.5 | 106.1 | 0 | 118.7 | T239 | T239-K838 VanDerWaalsContact OG1-CE 3.24Å; T239-K838 WeakPolarHBondContact OG1-CE 3.18Å; T239-K838 VanDerWaalsContact OG1-CG 3.22Å; T239-K838 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 839 | L | 28.1 | Very low | 39.2 | Very low | 147 Ų | 147 | 92.2 Ų | 92.2 | 77% | 0.77 | 47% | 0.469 | S | S | * | . | trans | -130.9 | 91.1 | 134.9 | -84 | 169.6 | 0 | 0 | 0 | 108.7 | ||||
| 840 | E | 32.5 | Very low | 39.5 | Very low | 112 Ų | 112 | 92.3 Ų | 92.3 | 52% | 0.523 | 47% | 0.473 | S | S | . | . | trans | -169.9 | 138.7 | 142.9 | -107.6 | 174.4 | -171.9 | 0 | 0 | 110.1 | V238 | V238-E840 HydrophobicContact CG1-CB 3.93Š| ||
| 841 | V | 36.9 | Very low | 40.5 | Very low | 126 Ų | 126 | 94.2 Ų | 94.2 | 76% | 0.764 | 47% | 0.474 | S | S | * | . | trans | -92 | 125.3 | -163 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | G843 | V841-G843 PolarHBondContact O-N 2.95Š| ||
| 842 | E | 36.3 | Very low | 41.7 | Very low | 53 Ų | 53 | 97.6 Ų | 97.6 | 25% | 0.248 | 48% | 0.475 | C | S | . | . | trans | -52.5 | 123.7 | 172.9 | -74 | 172.1 | 84.9 | 0 | 0 | 113 | D377 K380 R844 | D377-E842 WeakPolarHBondContact CA-OE1 3.43Å; D377-E842 HydrophobicContact CB-CG 3.87Å; D377-E842 WeakPolarHBondContact OD1-CG 3.49Å; D377-E842 VanDerWaalsContact OD1-OE1 3.11Å; K380-E842 WeakPolarHBondContact CD-OE1 3.39Å; K380-E842 WeakPolarHBondContact CE-OE1 3.28Å; K380-E842 IonicContact NZ-OE1 2.64Å; K380-E842 PolarHBondContact NZ-OE1 3.35Å; K380-E842 IonicContact NZ-OE2 3.75Å; K380-E842 PolarHBondContact NZ-OE2 3.22Å; E842-R844 PolarHBondContact O-N 3.42Å | ||
| 843 | G | 33.6 | Very low | 42.9 | Very low | 30 Ų | 30 | 102.5 Ų | 102.5 | 31% | 0.309 | 49% | 0.489 | S | S | . | . | trans | -70.5 | 82.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E259 K381 V841 | E259-G843 PolarHBondContact OE2-N 2.61Å; K381-G843 VanDerWaalsContact CE-N 3.28Å; K381-G843 VanDerWaalsContact CE-O 3.26Å; K381-G843 WeakPolarHBondContact CE-O 3.05Å; K381-G843 PolarHBondContact NZ-O 3.1Å; V841-G843 PolarHBondContact O-N 2.95Å | ||
| 844 | R | 41 | Very low | 44.4 | Very low | 66 Ų | 66 | 101.1 Ų | 101.1 | 25% | 0.249 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -73.2 | 155.6 | 142.3 | -68.1 | -172.8 | 171.1 | 179.3 | -5.5 | 108.3 | K380 I384 E842 L846 D849 | K380-R844 VanDerWaalsContact CE-CZ 3.46Å; K380-R844 VanDerWaalsContact CE-NE 3.26Å; K380-R844 VanDerWaalsContact CE-NH2 3.28Å; I384-R844 HydrophobicContact CD1-CG 3.5Å; E842-R844 PolarHBondContact O-N 3.42Å; R844-L846 PolarHBondContact O-N 3.47Å; R844-D849 HydrophobicContact CB-CB 4.27Å; R844-D849 WeakPolarHBondContact CD-OD1 3.42Å; R844-D849 VanDerWaalsContact CD-OD2 3.28Å; R844-D849 WeakPolarHBondContact CD-OD2 3.49Å; R844-D849 IonicContact NH1-OD1 3.95Å |
| 845 | S | 43.6 | Very low | 46.1 | Very low | 65 Ų | 65 | 103.9 Ų | 103.9 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | trans | -42.4 | 106.9 | 168.8 | 160.1 | 0 | 0 | 0 | 0 | 108.2 | W847 Q848 D849 | S845-W847 PolarHBondContact O-N 3.11Å; S845-Q848 PolarHBondContact O-N 3.33Å; S845-D849 PolarHBondContact O-N 2.86Å | ||
| 846 | L | 47.4 | Very low | 47.7 | Very low | 141 Ų | 141 | 108.3 Ų | 108.3 | 74% | 0.738 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -50.5 | -35.5 | -172 | -82.1 | 162.7 | 0 | 0 | 0 | 109.7 | R844 A850 | R844-L846 PolarHBondContact O-N 3.47Å; L846-A850 WeakPolarHBondContact O-CA 3.21Å; L846-A850 WeakPolarHBondContact O-CB 3.49Å; L846-A850 PolarHBondContact O-N 2.82Å |
| 847 | W | 47.7 | Very low | 49.6 | Very low | 216 Ų | 216 | 111 Ų | 111 | 82% | 0.818 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 177.2 | -85.8 | 102.1 | 0 | 0 | 0 | 115.8 | S845 R851 | S845-W847 PolarHBondContact O-N 3.11Å; W847-R851 WeakPolarHBondContact O-CB 3.36Å; W847-R851 PolarHBondContact O-N 2.77Å |
| 848 | Q | 56 | Low | 51.7 | Low | 135 Ų | 135 | 119.3 Ų | 119.3 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -79.6 | -41.3 | -176.2 | -73.6 | -177.4 | -17.9 | 0 | 0 | 112.4 | S845 R851 R852 | S845-Q848 PolarHBondContact O-N 3.33Å; Q848-R851 PolarHBondContact O-N 3.39Å; Q848-R852 WeakPolarHBondContact O-CB 3.48Å; Q848-R852 PolarHBondContact O-N 2.96Å |
| 849 | D | 54.1 | Low | 53.4 | Low | 38 Ų | 38 | 116.6 Ų | 116.6 | 20% | 0.203 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -71.9 | -37.9 | 176 | -107.8 | 26 | 0 | 0 | 0 | 110.9 | R844 S845 R852 R853 | R844-D849 HydrophobicContact CB-CB 4.27Å; R844-D849 WeakPolarHBondContact CD-OD1 3.42Å; R844-D849 VanDerWaalsContact CD-OD2 3.28Å; R844-D849 WeakPolarHBondContact CD-OD2 3.49Å; R844-D849 IonicContact NH1-OD1 3.95Å; S845-D849 PolarHBondContact O-N 2.86Å; D849-R852 PolarHBondContact O-N 3.23Å; D849-R853 VanDerWaalsContact O-CB 3.3Å; D849-R853 WeakPolarHBondContact O-CB 3.2Å; D849-R853 VanDerWaalsContact O-CG 3.29Å; D849-R853 WeakPolarHBondContact O-CG 3.46Å; D849-R853 PolarHBondContact O-N 3.28Å |
| 850 | A | 53.3 | Low | 55.3 | Low | 54 Ų | 54 | 110.7 Ų | 110.7 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.5 | -54.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L846 R852 R853 F854 | L846-A850 WeakPolarHBondContact O-CA 3.21Å; L846-A850 WeakPolarHBondContact O-CB 3.49Å; L846-A850 PolarHBondContact O-N 2.82Å; A850-R852 VanDerWaalsContact C-N 3.3Å; A850-R852 PolarHBondContact O-N 2.99Å; A850-R853 PolarHBondContact O-N 2.96Å; A850-F854 WeakPolarHBondContact O-CA 2.93Å; A850-F854 WeakPolarHBondContact O-CB 3.3Å; A850-F854 PolarHBondContact O-N 3.39Å |
| 851 | R | 63.8 | Low | 57.3 | Low | 184 Ų | 184 | 107.7 Ų | 107.7 | 69% | 0.694 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.2 | -43 | 179.5 | -177.1 | 178.4 | 174.6 | -171.3 | -1.3 | 112.5 | W847 Q848 M855 | W847-R851 WeakPolarHBondContact O-CB 3.36Å; W847-R851 PolarHBondContact O-N 2.77Å; Q848-R851 PolarHBondContact O-N 3.39Å; R851-M855 HydrophobicContact CG-CG 4.3Å; R851-M855 VanDerWaalsContact O-CB 3.28Å; R851-M855 WeakPolarHBondContact O-CB 3.43Å; R851-M855 WeakPolarHBondContact O-CG 3.33Å; R851-M855 PolarHBondContact O-N 3.3Å |
| 852 | R | 64.8 | Low | 59.2 | Low | 174 Ų | 174 | 104.1 Ų | 104.1 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.5 | -46.8 | -178.4 | -157.3 | -179.9 | -167.6 | -175.6 | 4 | 112.2 | Q848 D849 A850 F854 H856 | Q848-R852 WeakPolarHBondContact O-CB 3.48Å; Q848-R852 PolarHBondContact O-N 2.96Å; D849-R852 PolarHBondContact O-N 3.23Å; A850-R852 VanDerWaalsContact C-N 3.3Å; A850-R852 PolarHBondContact O-N 2.99Å; R852-F854 VanDerWaalsContact C-N 3.29Å; R852-F854 PolarHBondContact O-N 2.92Å; R852-H856 WeakPolarHBondContact O-CB 3.33Å; R852-H856 PolarHBondContact O-N 3Å; R852-H856 VanDerWaalsContact O-N 3.08Å; R852-H856 PolarHBondContact O-ND1 3.48Å |
| 853 | R | 60.9 | Low | 60.8 | Low | 177 Ų | 177 | 105 Ų | 105 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 175.9 | -71.9 | -179.4 | -178.2 | -159.7 | 1.4 | 111.3 | D849 A850 H856 N857 | D849-R853 VanDerWaalsContact O-CB 3.3Å; D849-R853 WeakPolarHBondContact O-CB 3.2Å; D849-R853 VanDerWaalsContact O-CG 3.29Å; D849-R853 WeakPolarHBondContact O-CG 3.46Å; D849-R853 PolarHBondContact O-N 3.28Å; A850-R853 PolarHBondContact O-N 2.96Å; R853-H856 PolarHBondContact O-N 3.35Å; R853-N857 WeakPolarHBondContact O-CB 3.38Å; R853-N857 PolarHBondContact O-N 3.48Å |
| 854 | F | 62.8 | Low | 62.8 | Low | 66 Ų | 66 | 107.1 Ų | 107.1 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 179.8 | -170.5 | -92.2 | 0 | 0 | 0 | 111.9 | A850 R852 H856 N857 A860 V861 L864 | A850-F854 WeakPolarHBondContact O-CA 2.93Å; A850-F854 WeakPolarHBondContact O-CB 3.3Å; A850-F854 PolarHBondContact O-N 3.39Å; R852-F854 VanDerWaalsContact C-N 3.29Å; R852-F854 PolarHBondContact O-N 2.92Å; F854-H856 VanDerWaalsContact C-N 3.29Å; F854-H856 PolarHBondContact O-N 2.62Å; F854-N857 PolarHBondContact O-N 3Å; F854-A860 HydrophobicContact CD2-CB 3.66Å; F854-A860 HydrophobicContact CE2-CB 4.24Å; F854-A860 HydrophobicContact CG-CB 4.14Å; F854-V861 HydrophobicContact CD1-CG2 4.42Å; F854-V861 WeakPolarHBondContact O-CG2 3.34Å; F854-L864 HydrophobicContact CE1-CB 3.84Å; F854-L864 HydrophobicContact CE1-CD2 3.4Å; F854-L864 HydrophobicContact CE1-CG 4.09Å; F854-L864 HydrophobicContact CE2-CB 3.99Å; F854-L864 HydrophobicContact CZ-CB 3.17Å; F854-L864 HydrophobicContact CZ-CD1 3.86Å; F854-L864 HydrophobicContact CZ-CD2 3.34Å; F854-L864 HydrophobicContact CZ-CG 3.54Å |
| 855 | M | 69.5 | Low | 64.7 | Low | 131 Ų | 131 | 108.6 Ų | 108.6 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.2 | -27 | 176.4 | -69.4 | -73 | -69.8 | 0 | 0 | 113 | R851 | R851-M855 HydrophobicContact CG-CG 4.3Å; R851-M855 VanDerWaalsContact O-CB 3.28Å; R851-M855 WeakPolarHBondContact O-CB 3.43Å; R851-M855 WeakPolarHBondContact O-CG 3.33Å; R851-M855 PolarHBondContact O-N 3.3Å |
| 856 | H | 70.8 | Confident | 66.3 | Low | 159 Ų | 159 | 109.3 Ų | 109.3 | 74% | 0.736 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -87.4 | -22.1 | 175.9 | -83.4 | 52.2 | 0 | 0 | 0 | 113.7 | R852 R853 F854 R858 | R852-H856 WeakPolarHBondContact O-CB 3.33Å; R852-H856 PolarHBondContact O-N 3Å; R852-H856 VanDerWaalsContact O-N 3.08Å; R852-H856 PolarHBondContact O-ND1 3.48Å; R853-H856 PolarHBondContact O-N 3.35Å; F854-H856 VanDerWaalsContact C-N 3.29Å; F854-H856 PolarHBondContact O-N 2.62Å; H856-R858 PolarHBondContact O-N 3.07Å |
| 857 | N | 70.7 | Confident | 67.6 | Low | 84 Ų | 84 | 107.4 Ų | 107.4 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | trans | -94.1 | 99.6 | 178.9 | -171.4 | -12.8 | 0 | 0 | 0 | 109.9 | R853 F854 A859 A860 V861 | R853-N857 WeakPolarHBondContact O-CB 3.38Å; R853-N857 PolarHBondContact O-N 3.48Å; F854-N857 PolarHBondContact O-N 3Å; N857-A859 PolarHBondContact O-N 2.88Å; N857-A859 WeakPolarHBondContact OD1-CB 3.29Å; N857-A859 PolarHBondContact OD1-N 3.1Å; N857-A859 VanDerWaalsContact OD1-N 3.12Å; N857-A860 HydrophobicContact CB-CB 3.9Å; N857-A860 WeakPolarHBondContact O-CA 3.41Å; N857-A860 WeakPolarHBondContact O-CB 3.29Å; N857-A860 PolarHBondContact O-N 2.91Å; N857-V861 PolarHBondContact O-N 2.95Å; N857-V861 VanDerWaalsContact O-N 3.12Å | ||
| 858 | R | 76 | Confident | 69.2 | Low | 230 Ų | 230 | 100.5 Ų | 100.5 | 87% | 0.868 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -49.3 | -35.4 | 177 | -78 | -177.8 | 153.7 | -177.3 | -6.5 | 113.2 | H856 A862 | H856-R858 PolarHBondContact O-N 3.07Å; R858-A862 WeakPolarHBondContact O-CB 3.34Å; R858-A862 PolarHBondContact O-N 3.19Å; R858-A862 VanDerWaalsContact O-N 3.08Å |
| 859 | A | 71.7 | Confident | 70.5 | Confident | 61 Ų | 61 | 99 Ų | 99 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N857 A862 S863 | N857-A859 PolarHBondContact O-N 2.88Å; N857-A859 WeakPolarHBondContact OD1-CB 3.29Å; N857-A859 PolarHBondContact OD1-N 3.1Å; N857-A859 VanDerWaalsContact OD1-N 3.12Å; A859-A862 PolarHBondContact O-N 2.98Å; A859-S863 PolarHBondContact O-N 2.94Å; A859-S863 PolarHBondContact O-OG 2.9Å; A859-S863 VanDerWaalsContact O-OG 3.1Å |
| 860 | A | 67.5 | Low | 71.6 | Confident | 22 Ų | 22 | 101 Ų | 101 | 18% | 0.182 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -68.4 | -41 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F854 N857 A862 S863 L864 | F854-A860 HydrophobicContact CD2-CB 3.66Å; F854-A860 HydrophobicContact CE2-CB 4.24Å; F854-A860 HydrophobicContact CG-CB 4.14Å; N857-A860 HydrophobicContact CB-CB 3.9Å; N857-A860 WeakPolarHBondContact O-CA 3.41Å; N857-A860 WeakPolarHBondContact O-CB 3.29Å; N857-A860 PolarHBondContact O-N 2.91Å; A860-A862 VanDerWaalsContact C-N 3.34Å; A860-A862 PolarHBondContact O-N 2.9Å; A860-S863 PolarHBondContact O-N 2.97Å; A860-L864 PolarHBondContact O-N 3.28Å |
| 861 | V | 74.5 | Confident | 72.8 | Confident | 49 Ų | 49 | 99.9 Ų | 99.9 | 30% | 0.297 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | F854 N857 S863 L864 I865 | F854-V861 HydrophobicContact CD1-CG2 4.42Å; F854-V861 WeakPolarHBondContact O-CG2 3.34Å; N857-V861 PolarHBondContact O-N 2.95Å; N857-V861 VanDerWaalsContact O-N 3.12Å; V861-S863 PolarHBondContact O-N 3.3Å; V861-L864 PolarHBondContact O-N 2.52Å; V861-I865 HydrophobicContact CG1-CD1 3.99Å; V861-I865 WeakPolarHBondContact O-CG1 3.44Å; V861-I865 PolarHBondContact O-N 2.68Å |
| 862 | A | 76.8 | Confident | 73.7 | Confident | 52 Ų | 52 | 95.1 Ų | 95.1 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R858 A859 A860 L864 I865 V866 | R858-A862 WeakPolarHBondContact O-CB 3.34Å; R858-A862 PolarHBondContact O-N 3.19Å; R858-A862 VanDerWaalsContact O-N 3.08Å; A859-A862 PolarHBondContact O-N 2.98Å; A860-A862 VanDerWaalsContact C-N 3.34Å; A860-A862 PolarHBondContact O-N 2.9Å; A862-L864 VanDerWaalsContact C-N 3.31Å; A862-L864 PolarHBondContact O-N 3.17Å; A862-I865 PolarHBondContact O-N 2.88Å; A862-V866 WeakPolarHBondContact O-CG2 3.36Å; A862-V866 PolarHBondContact O-N 3.43Å |
| 863 | S | 70 | Confident | 74.5 | Confident | 72 Ų | 72 | 90.3 Ų | 90.3 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 176.3 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | A859 A860 V861 V866 L867 | A859-S863 PolarHBondContact O-N 2.94Å; A859-S863 PolarHBondContact O-OG 2.9Å; A859-S863 VanDerWaalsContact O-OG 3.1Å; A860-S863 PolarHBondContact O-N 2.97Å; V861-S863 PolarHBondContact O-N 3.3Å; S863-V866 PolarHBondContact O-N 2.89Å; S863-L867 WeakPolarHBondContact O-CG 3.38Å; S863-L867 PolarHBondContact O-N 3.14Å |
| 864 | L | 75.8 | Confident | 75.2 | Confident | 74 Ų | 74 | 83.3 Ų | 83.3 | 39% | 0.387 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 175.1 | -176.4 | 72.1 | 0 | 0 | 0 | 112.7 | F854 A860 V861 A862 V866 L867 V868 | F854-L864 HydrophobicContact CE1-CB 3.84Å; F854-L864 HydrophobicContact CE1-CD2 3.4Å; F854-L864 HydrophobicContact CE1-CG 4.09Å; F854-L864 HydrophobicContact CE2-CB 3.99Å; F854-L864 HydrophobicContact CZ-CB 3.17Å; F854-L864 HydrophobicContact CZ-CD1 3.86Å; F854-L864 HydrophobicContact CZ-CD2 3.34Å; F854-L864 HydrophobicContact CZ-CG 3.54Å; A860-L864 PolarHBondContact O-N 3.28Å; V861-L864 PolarHBondContact O-N 2.52Å; A862-L864 VanDerWaalsContact C-N 3.31Å; A862-L864 PolarHBondContact O-N 3.17Å; L864-V866 PolarHBondContact O-N 3.09Å; L864-L867 PolarHBondContact O-N 2.85Å; L864-L867 VanDerWaalsContact O-N 3.14Å; L864-V868 HydrophobicContact CD1-CG2 4.18Å; L864-V868 HydrophobicContact CG-CG2 4.07Å; L864-V868 WeakPolarHBondContact O-CB 3.48Å; L864-V868 VanDerWaalsContact O-CG2 3.3Å; L864-V868 WeakPolarHBondContact O-CG2 3.42Å; L864-V868 PolarHBondContact O-N 2.97Å |
| 865 | I | 81.1 | Confident | 76 | Confident | 96 Ų | 96 | 85.9 Ų | 85.9 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 175 | -68.9 | 166.2 | 0 | 0 | 0 | 109 | V861 A862 V868 L869 | V861-I865 HydrophobicContact CG1-CD1 3.99Å; V861-I865 WeakPolarHBondContact O-CG1 3.44Å; V861-I865 PolarHBondContact O-N 2.68Å; A862-I865 PolarHBondContact O-N 2.88Å; I865-V868 PolarHBondContact O-N 3.49Å; I865-L869 HydrophobicContact CG2-CD1 3.86Å; I865-L869 HydrophobicContact CG2-CG 4.34Å; I865-L869 WeakPolarHBondContact O-CB 3.15Å; I865-L869 WeakPolarHBondContact O-CG 3.38Å; I865-L869 PolarHBondContact O-N 3.47Å |
| 866 | V | 76.8 | Confident | 76.5 | Confident | 81 Ų | 81 | 83.3 Ų | 83.3 | 49% | 0.491 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 112 | A862 S863 L864 V868 L869 I870 | A862-V866 WeakPolarHBondContact O-CG2 3.36Å; A862-V866 PolarHBondContact O-N 3.43Å; S863-V866 PolarHBondContact O-N 2.89Å; L864-V866 PolarHBondContact O-N 3.09Å; V866-V868 PolarHBondContact O-N 3.19Å; V866-L869 PolarHBondContact O-N 2.83Å; V866-I870 HydrophobicContact CG1-CD1 3.93Å; V866-I870 VanDerWaalsContact O-CG1 3.32Å; V866-I870 WeakPolarHBondContact O-CG1 3.28Å; V866-I870 PolarHBondContact O-N 3.09Å |
| 867 | L | 74.5 | Confident | 76.5 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 177.9 | -77 | 169.4 | 0 | 0 | 0 | 112.9 | S863 L864 I870 A871 | S863-L867 WeakPolarHBondContact O-CG 3.38Å; S863-L867 PolarHBondContact O-N 3.14Å; L864-L867 PolarHBondContact O-N 2.85Å; L864-L867 VanDerWaalsContact O-N 3.14Å; L867-I870 PolarHBondContact O-N 3Å; L867-A871 WeakPolarHBondContact O-CB 3.33Å; L867-A871 PolarHBondContact O-N 3.43Å |
| 868 | V | 81.4 | Confident | 76.5 | Confident | 70 Ų | 70 | 76.2 Ų | 76.2 | 42% | 0.424 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | L864 I865 V866 A871 L872 | L864-V868 HydrophobicContact CD1-CG2 4.18Å; L864-V868 HydrophobicContact CG-CG2 4.07Å; L864-V868 WeakPolarHBondContact O-CB 3.48Å; L864-V868 VanDerWaalsContact O-CG2 3.3Å; L864-V868 WeakPolarHBondContact O-CG2 3.42Å; L864-V868 PolarHBondContact O-N 2.97Å; I865-V868 PolarHBondContact O-N 3.49Å; V866-V868 PolarHBondContact O-N 3.19Å; V868-A871 PolarHBondContact O-N 3.4Å; V868-L872 HydrophobicContact CG1-CD1 3.83Å; V868-L872 HydrophobicContact CG1-CG 4.4Å; V868-L872 VanDerWaalsContact O-CB 3.28Å; V868-L872 WeakPolarHBondContact O-CB 3.32Å; V868-L872 WeakPolarHBondContact O-CG 3.23Å; V868-L872 PolarHBondContact O-N 3.01Å |
| 869 | L | 83.2 | Confident | 76.5 | Confident | 105 Ų | 105 | 72.8 Ų | 72.8 | 55% | 0.55 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.2 | -73.3 | 170.6 | 0 | 0 | 0 | 111.9 | I865 V866 F873 | I865-L869 HydrophobicContact CG2-CD1 3.86Å; I865-L869 HydrophobicContact CG2-CG 4.34Å; I865-L869 WeakPolarHBondContact O-CB 3.15Å; I865-L869 WeakPolarHBondContact O-CG 3.38Å; I865-L869 PolarHBondContact O-N 3.47Å; V866-L869 PolarHBondContact O-N 2.83Å; L869-F873 VanDerWaalsContact O-CB 3.25Å; L869-F873 WeakPolarHBondContact O-CB 3.31Å; L869-F873 PolarHBondContact O-N 3.43Å |
| 870 | I | 77.7 | Confident | 76.6 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 40% | 0.4 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 174.3 | -67.5 | 166.3 | 0 | 0 | 0 | 110.4 | V866 L867 F873 V874 L926 | V866-I870 HydrophobicContact CG1-CD1 3.93Å; V866-I870 VanDerWaalsContact O-CG1 3.32Å; V866-I870 WeakPolarHBondContact O-CG1 3.28Å; V866-I870 PolarHBondContact O-N 3.09Å; L867-I870 PolarHBondContact O-N 3Å; I870-F873 WeakPolarHBondContact O-CB 3.37Å; I870-F873 PolarHBondContact O-N 2.88Å; I870-V874 WeakPolarHBondContact O-CG2 3.45Å; I870-V874 PolarHBondContact O-N 3.14Å; I870-L926 HydrophobicContact CG2-CD1 4.27Å |
| 871 | A | 77.6 | Confident | 76.8 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 26% | 0.264 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L867 V868 V874 I875 | L867-A871 WeakPolarHBondContact O-CB 3.33Å; L867-A871 PolarHBondContact O-N 3.43Å; V868-A871 PolarHBondContact O-N 3.4Å; A871-V874 PolarHBondContact O-N 3.41Å; A871-I875 WeakPolarHBondContact O-CB 3.47Å; A871-I875 WeakPolarHBondContact O-CD1 3.4Å; A871-I875 VanDerWaalsContact O-CG1 3.23Å; A871-I875 WeakPolarHBondContact O-CG1 3.28Å; A871-I875 PolarHBondContact O-N 3.39Å |
| 872 | L | 83.1 | Confident | 77 | Confident | 83 Ų | 83 | 78.3 Ų | 78.3 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 173.4 | -81.6 | 164.9 | 0 | 0 | 0 | 111.3 | V868 V874 I875 L876 | V868-L872 HydrophobicContact CG1-CD1 3.83Å; V868-L872 HydrophobicContact CG1-CG 4.4Å; V868-L872 VanDerWaalsContact O-CB 3.28Å; V868-L872 WeakPolarHBondContact O-CB 3.32Å; V868-L872 WeakPolarHBondContact O-CG 3.23Å; V868-L872 PolarHBondContact O-N 3.01Å; L872-V874 PolarHBondContact O-N 3.44Å; L872-I875 PolarHBondContact O-N 3.06Å; L872-L876 HydrophobicContact CB-CD1 4.46Å; L872-L876 WeakPolarHBondContact O-CB 3.22Å; L872-L876 WeakPolarHBondContact O-CG 3.48Å; L872-L876 PolarHBondContact O-N 3.35Å |
| 873 | F | 81.7 | Confident | 77.2 | Confident | 73 Ų | 73 | 77.9 Ų | 77.9 | 32% | 0.32 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.5 | 175.7 | -99.1 | 0 | 0 | 0 | 111.6 | L869 I870 I875 L876 A877 F905 L915 A919 | L869-F873 VanDerWaalsContact O-CB 3.25Å; L869-F873 WeakPolarHBondContact O-CB 3.31Å; L869-F873 PolarHBondContact O-N 3.43Å; I870-F873 WeakPolarHBondContact O-CB 3.37Å; I870-F873 PolarHBondContact O-N 2.88Å; F873-I875 PolarHBondContact O-N 3.38Å; F873-L876 PolarHBondContact O-N 2.96Å; F873-A877 WeakPolarHBondContact O-CA 2.98Å; F873-A877 WeakPolarHBondContact O-CB 3.38Å; F873-A877 PolarHBondContact O-N 3.14Å; F873-F905 HydrophobicContact CZ-CE2 4.49Å; F873-L915 HydrophobicContact CE2-CD1 3.94Å; F873-L915 HydrophobicContact CZ-CD1 3.47Å; F873-L915 VanDerWaalsContact CZ-CD1 3.47Å; F873-A919 HydrophobicContact CE1-CB 4.11Å |
| 874 | V | 76.4 | Confident | 77.8 | Confident | 30 Ų | 30 | 76.5 Ų | 76.5 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.8 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | I870 A871 L872 P878 | I870-V874 WeakPolarHBondContact O-CG2 3.45Å; I870-V874 PolarHBondContact O-N 3.14Å; A871-V874 PolarHBondContact O-N 3.41Å; L872-V874 PolarHBondContact O-N 3.44Å; V874-P878 WeakPolarHBondContact O-CD 2.91Å |
| 875 | I | 78.2 | Confident | 77.9 | Confident | 120 Ų | 120 | 78.2 Ų | 78.2 | 62% | 0.615 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69 | -38.3 | -179.5 | -69 | 165.3 | 0 | 0 | 0 | 111.5 | A871 L872 F873 P878 | A871-I875 WeakPolarHBondContact O-CB 3.47Å; A871-I875 WeakPolarHBondContact O-CD1 3.4Å; A871-I875 VanDerWaalsContact O-CG1 3.23Å; A871-I875 WeakPolarHBondContact O-CG1 3.28Å; A871-I875 PolarHBondContact O-N 3.39Å; L872-I875 PolarHBondContact O-N 3.06Å; F873-I875 PolarHBondContact O-N 3.38Å; I875-P878 WeakPolarHBondContact O-CD 3.03Å |
| 876 | L | 80.6 | Confident | 77.9 | Confident | 77 Ų | 77 | 79.4 Ų | 79.4 | 40% | 0.403 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -84.4 | -20.7 | -177.6 | -68 | 170.2 | 0 | 0 | 0 | 112.9 | L872 F873 M879 L880 | L872-L876 HydrophobicContact CB-CD1 4.46Å; L872-L876 WeakPolarHBondContact O-CB 3.22Å; L872-L876 WeakPolarHBondContact O-CG 3.48Å; L872-L876 PolarHBondContact O-N 3.35Å; F873-L876 PolarHBondContact O-N 2.96Å; L876-M879 HydrophobicContact CD2-SD 4.42Å; L876-M879 CarbonylContact O-C 3.51Å; L876-M879 WeakPolarHBondContact O-CA 3.37Å; L876-M879 WeakPolarHBondContact O-CB 3.33Å; L876-M879 PolarHBondContact O-N 3.33Å; L876-L880 HydrophobicContact CB-CD1 4.16Å; L876-L880 HydrophobicContact CB-CG 4.44Å; L876-L880 WeakPolarHBondContact O-CG 3.33Å; L876-L880 PolarHBondContact O-N 2.52Å |
| 877 | A | 72.2 | Confident | 78.1 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 3% | 0.025 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57.4 | -39.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F873 M879 L880 S881 A919 | F873-A877 WeakPolarHBondContact O-CA 2.98Å; F873-A877 WeakPolarHBondContact O-CB 3.38Å; F873-A877 PolarHBondContact O-N 3.14Å; A877-M879 PolarHBondContact O-N 3.46Å; A877-L880 PolarHBondContact O-N 3.2Å; A877-L880 VanDerWaalsContact O-N 3.07Å; A877-S881 PolarHBondContact O-N 3.34Å; A877-A919 HydrophobicContact CB-CB 3.05Å |
| 878 | P | 69.6 | Low | 78.6 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 59% | 0.591 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.2 | -19.7 | 171.8 | -21.7 | 33.3 | 0 | 0 | 0 | 114 | V874 I875 | V874-P878 WeakPolarHBondContact O-CD 2.91Å; I875-P878 WeakPolarHBondContact O-CD 3.03Å |
| 879 | M | 75.9 | Confident | 78.7 | Confident | 159 Ų | 159 | 76.4 Ų | 76.4 | 78% | 0.783 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -91.5 | -23.6 | 173.1 | -59.1 | -175.3 | 108.6 | 0 | 0 | 112.8 | L876 A877 | L876-M879 HydrophobicContact CD2-SD 4.42Å; L876-M879 CarbonylContact O-C 3.51Å; L876-M879 WeakPolarHBondContact O-CA 3.37Å; L876-M879 WeakPolarHBondContact O-CB 3.33Å; L876-M879 PolarHBondContact O-N 3.33Å; A877-M879 PolarHBondContact O-N 3.46Å |
| 880 | L | 73 | Confident | 78.7 | Confident | 97 Ų | 97 | 79.9 Ų | 79.9 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -86.8 | -30.4 | -179 | -69.3 | 171.6 | 0 | 0 | 0 | 112.8 | L876 A877 | L876-L880 HydrophobicContact CB-CD1 4.16Å; L876-L880 HydrophobicContact CB-CG 4.44Å; L876-L880 WeakPolarHBondContact O-CG 3.33Å; L876-L880 PolarHBondContact O-N 2.52Å; A877-L880 PolarHBondContact O-N 3.2Å; A877-L880 VanDerWaalsContact O-N 3.07Å |
| 881 | S | 72.5 | Confident | 79.1 | Confident | 13 Ų | 13 | 80.5 Ų | 80.5 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | trans | -92 | 138.5 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | A877 F883 V916 | A877-S881 PolarHBondContact O-N 3.34Å; S881-F883 VanDerWaalsContact C-N 3.27Å; S881-F883 PolarHBondContact OG-N 3.46Å; S881-F883 VanDerWaalsContact OG-N 3.1Å; S881-V916 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 882 | Q | 78.2 | Confident | 79.3 | Confident | 137 Ų | 137 | 81.8 Ų | 81.8 | 64% | 0.64 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -82.1 | -4.8 | 171.7 | 60.6 | -174.8 | -3.3 | 0 | 0 | 113.3 | S901 | Q882-S901 PolarHBondContact NE2-O 2.94Š|
| 883 | F | 82.4 | Confident | 79.4 | Confident | 43 Ų | 43 | 82 Ų | 82 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -106.9 | 139.7 | -175 | -53.4 | -74.9 | 0 | 0 | 0 | 111.5 | S881 D887 S901 H903 D913 V916 | S881-F883 VanDerWaalsContact C-N 3.27Å; S881-F883 PolarHBondContact OG-N 3.46Å; S881-F883 VanDerWaalsContact OG-N 3.1Å; F883-D887 HydrophobicContact CB-CB 4.26Å; F883-S901 WeakPolarHBondContact CZ-O 3.28Å; F883-H903 AromaticContact CD2-CE1 3.75Å; F883-H903 AromaticContact CD2-ND1 3.78Å; F883-H903 AromaticContact CE1-CE1 3.6Å; F883-H903 AromaticContact CE1-NE2 3.9Å; F883-H903 AromaticContact CE2-CE1 3.32Å; F883-H903 WeakPolarHBondContact CE2-CE1 3.47Å; F883-H903 AromaticContact CE2-CG 3.99Å; F883-H903 AromaticContact CE2-ND1 3.31Å; F883-H903 VanDerWaalsContact CE2-ND1 3.31Å; F883-H903 WeakPolarHBondContact CE2-ND1 3.45Å; F883-H903 AromaticContact CZ-CE1 3.23Å; F883-H903 WeakPolarHBondContact CZ-CE1 3.37Å; F883-H903 AromaticContact CZ-ND1 3.66Å; F883-H903 AromaticContact CZ-NE2 3.51Å; F883-D913 HydrophobicContact CB-CB 4.15Å; F883-D913 HydrophobicContact CD2-CB 3.89Å; F883-D913 HydrophobicContact CG-CB 4.22Å; F883-V916 HydrophobicContact CB-CG2 4.41Å; F883-V916 WeakPolarHBondContact O-CG2 3.08Å |
| 884 | A | 81.1 | Confident | 79.6 | Confident | 44 Ų | 44 | 82.7 Ų | 82.7 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | trans | -69.6 | 164.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D886 D887 | A884-D886 PolarHBondContact O-N 3.12Å; A884-D887 HydrophobicContact CB-CB 4.19Å; A884-D887 WeakPolarHBondContact CB-OD2 3.31Å; A884-D887 PolarHBondContact N-OD2 2.88Å; A884-D887 PolarHBondContact O-N 3.46Å | ||
| 885 | Y | 78.5 | Confident | 80 | Confident | 110 Ų | 110 | 82.5 Ų | 82.5 | 43% | 0.431 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -32.3 | -179.1 | 178.2 | -104.4 | 0 | 0 | 0 | 113.7 | V916 R917 I920 | Y885-V916 HydrophobicContact CD2-CG1 4.27Å; Y885-R917 HydrophobicContact CE2-CG 4.29Å; Y885-I920 HydrophobicContact CD2-CB 3.92Å; Y885-I920 HydrophobicContact CD2-CD1 3.58Å; Y885-I920 HydrophobicContact CD2-CG1 4.29Å; Y885-I920 HydrophobicContact CD2-CG2 3.85Å; Y885-I920 HydrophobicContact CE2-CB 4.15Å; Y885-I920 HydrophobicContact CE2-CG2 3.92Å; Y885-I920 HydrophobicContact CG-CD1 3.9Å |
| 886 | D | 80.2 | Confident | 80.5 | Confident | 121 Ų | 121 | 80.3 Ų | 80.3 | 65% | 0.647 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -3 | -179 | 54.1 | -31.6 | 0 | 0 | 0 | 113.3 | A884 T888 | A884-D886 PolarHBondContact O-N 3.12Å; D886-T888 PolarHBondContact O-N 3.13Å; D886-T888 PolarHBondContact O-OG1 3.24Å |
| 887 | D | 82.1 | Confident | 80.9 | Confident | 79 Ų | 79 | 81.2 Ų | 81.2 | 42% | 0.422 | 45% | 0.452 | S | S | . | . | trans | -63.1 | 129.9 | 174.8 | -84.4 | -15.6 | 0 | 0 | 0 | 110.3 | F883 A884 R912 | F883-D887 HydrophobicContact CB-CB 4.26Å; A884-D887 HydrophobicContact CB-CB 4.19Å; A884-D887 WeakPolarHBondContact CB-OD2 3.31Å; A884-D887 PolarHBondContact N-OD2 2.88Å; A884-D887 PolarHBondContact O-N 3.46Å; D887-R912 WeakPolarHBondContact O-CG 3.34Å | ||
| 888 | T | 84.1 | Confident | 81.3 | Confident | 54 Ų | 54 | 83.5 Ų | 83.5 | 33% | 0.331 | 46% | 0.464 | S | S | . | . | trans | -125.7 | 109.8 | -171.9 | -52.1 | 0 | 0 | 0 | 0 | 109.1 | D886 W890 S910 R912 | D886-T888 PolarHBondContact O-N 3.13Å; D886-T888 PolarHBondContact O-OG1 3.24Å; T888-W890 HydrophobicContact CG2-CD2 3.97Å; T888-W890 HydrophobicContact CG2-CE3 4.37Å; T888-W890 HydrophobicContact CG2-CG 4.48Å; T888-W890 HydrophobicContact CG2-CH2 4.2Å; T888-W890 HydrophobicContact CG2-CZ2 3.77Å; T888-W890 HydrophobicContact CG2-CZ3 4.47Å; T888-S910 WeakPolarHBondContact CG2-O 2.88Å; T888-R912 HydrophobicContact CG2-CG 4.42Å | ||
| 889 | D | 83.6 | Confident | 81.9 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 30% | 0.299 | 47% | 0.472 | S | S | . | . | trans | -94.9 | 93.6 | 172 | -171.7 | -12.4 | 0 | 0 | 0 | 110 | A891 M892 H903 G911 | D889-A891 PolarHBondContact O-N 3.38Å; D889-A891 WeakPolarHBondContact OD1-CB 3.43Å; D889-A891 PolarHBondContact OD1-N 3.18Å; D889-M892 HydrophobicContact CB-CB 4.12Å; D889-M892 HydrophobicContact CB-CG 4.47Å; D889-M892 PolarHBondContact O-N 3.13Å; D889-M892 PolarHBondContact OD1-N 2.91Å; D889-M892 VanDerWaalsContact OD2-CG 3.28Å; D889-M892 WeakPolarHBondContact OD2-CG 3.37Å; D889-H903 IonicContact OD2-NE2 2.7Å; D889-G911 PolarHBondContact N-O 3.26Å; D889-G911 VanDerWaalsContact O-CA 3.28Å; D889-G911 WeakPolarHBondContact O-CA 3.31Å | ||
| 890 | W | 84.1 | Confident | 82.3 | Confident | 177 Ų | 177 | 87.8 Ų | 87.8 | 67% | 0.67 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -61.1 | -22.1 | 179.1 | -63.3 | 105.5 | 0 | 0 | 0 | 113.6 | T888 M892 M893 | T888-W890 HydrophobicContact CG2-CD2 3.97Å; T888-W890 HydrophobicContact CG2-CE3 4.37Å; T888-W890 HydrophobicContact CG2-CG 4.48Å; T888-W890 HydrophobicContact CG2-CH2 4.2Å; T888-W890 HydrophobicContact CG2-CZ2 3.77Å; T888-W890 HydrophobicContact CG2-CZ3 4.47Å; W890-M892 VanDerWaalsContact C-N 3.32Å; W890-M893 HydrophobicContact CE3-CE 4.21Å; W890-M893 HydrophobicContact CE3-CG 4.27Å; W890-M893 HydrophobicContact CE3-SD 3.66Å; W890-M893 HydrophobicContact CZ3-CE 4.15Å; W890-M893 HydrophobicContact CZ3-SD 4.21Å; W890-M893 WeakPolarHBondContact O-CG 3.03Å |
| 891 | A | 85.1 | Confident | 82.6 | Confident | 92 Ų | 92 | 84.4 Ų | 84.4 | 76% | 0.76 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -76.8 | -24.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D889 | D889-A891 PolarHBondContact O-N 3.38Å; D889-A891 WeakPolarHBondContact OD1-CB 3.43Å; D889-A891 PolarHBondContact OD1-N 3.18Å |
| 892 | M | 83.4 | Confident | 83.1 | Confident | 59 Ų | 59 | 83.9 Ų | 83.9 | 29% | 0.291 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -100.5 | 9 | -175.4 | -72.4 | -74.2 | 167.9 | 0 | 0 | 113.2 | D889 W890 S894 S895 T907 | D889-M892 HydrophobicContact CB-CB 4.12Å; D889-M892 HydrophobicContact CB-CG 4.47Å; D889-M892 PolarHBondContact O-N 3.13Å; D889-M892 PolarHBondContact OD1-N 2.91Å; D889-M892 VanDerWaalsContact OD2-CG 3.28Å; D889-M892 WeakPolarHBondContact OD2-CG 3.37Å; W890-M892 VanDerWaalsContact C-N 3.32Å; M892-S894 PolarHBondContact O-N 3.46Å; M892-S895 WeakPolarHBondContact O-CB 3.27Å; M892-S895 PolarHBondContact O-N 2.91Å; M892-S895 PolarHBondContact O-OG 2.85Å; M892-T907 HydrophobicContact CB-CG2 3.88Å; M892-T907 PolarHBondContact O-OG1 3.28Å |
| 893 | M | 85.4 | Confident | 83.5 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 43% | 0.433 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 127.2 | -176.2 | -67.4 | 173.5 | 77.6 | 0 | 0 | 113.9 | W890 S895 S909 | W890-M893 HydrophobicContact CE3-CE 4.21Å; W890-M893 HydrophobicContact CE3-CG 4.27Å; W890-M893 HydrophobicContact CE3-SD 3.66Å; W890-M893 HydrophobicContact CZ3-CE 4.15Å; W890-M893 HydrophobicContact CZ3-SD 4.21Å; W890-M893 WeakPolarHBondContact O-CG 3.03Å; M893-S895 PolarHBondContact O-N 3.27Å; M893-S909 WeakPolarHBondContact CE-O 3.44Å |
| 894 | S | 85.7 | Confident | 83.6 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 60% | 0.601 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 29.8 | -176.9 | -45.9 | 0 | 0 | 0 | 0 | 114 | M892 T907 D908 S909 | M892-S894 PolarHBondContact O-N 3.46Å; S894-T907 PolarHBondContact N-OG1 2.69Å; S894-T907 VanDerWaalsContact N-OG1 3.17Å; S894-D908 PolarHBondContact N-O 3.36Å; S894-S909 WeakPolarHBondContact OG-CA 3.36Å |
| 895 | S | 84.8 | Confident | 83.9 | Confident | 27 Ų | 27 | 83 Ų | 83 | 19% | 0.189 | 44% | 0.441 | C | S | . | . | trans | -69.2 | 145.2 | 177.2 | 61.9 | 0 | 0 | 0 | 0 | 111 | M892 M893 G906 T907 | M892-S895 WeakPolarHBondContact O-CB 3.27Å; M892-S895 PolarHBondContact O-N 2.91Å; M892-S895 PolarHBondContact O-OG 2.85Å; M893-S895 PolarHBondContact O-N 3.27Å; S895-G906 WeakPolarHBondContact O-CA 3.23Å; S895-T907 PolarHBondContact N-OG1 2.9Å; S895-T907 PolarHBondContact O-N 3.28Å; S895-T907 VanDerWaalsContact O-N 3.17Å; S895-T907 WeakPolarHBondContact OG-CG2 3.42Å; S895-T907 PolarHBondContact OG-N 3.38Å; S895-T907 PolarHBondContact OG-OG1 2.92Å | ||
| 896 | A | 88.3 | Confident | 84.3 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 61% | 0.612 | 42% | 0.421 | S | S | * | . | trans | -66.7 | 161.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D898 | A896-D898 PolarHBondContact O-N 2.76Å; A896-D898 VanDerWaalsContact O-N 3.14Å | ||
| 897 | P | 87.8 | Confident | 84.7 | Confident | 95 Ų | 95 | 72.2 Ų | 72.2 | 62% | 0.617 | 39% | 0.391 | S | S | * | . | trans | -42.1 | 119.3 | 167.2 | -32.6 | 37.5 | 0 | 0 | 0 | 112.8 | Y904 | P897-Y904 WeakPolarHBondContact CB-O 3.31Š| ||
| 898 | D | 82.2 | Confident | 84.9 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | trans | -134.2 | 126.2 | 179.4 | 174.8 | 30.3 | 0 | 0 | 0 | 110.5 | A896 E900 S901 H903 | A896-D898 PolarHBondContact O-N 2.76Å; A896-D898 VanDerWaalsContact O-N 3.14Å; D898-E900 PolarHBondContact OD1-N 2.96Å; D898-S901 WeakPolarHBondContact CB-OG 3.23Å; D898-S901 WeakPolarHBondContact OD2-CB 3.26Å; D898-S901 PolarHBondContact OD2-N 3.04Å; D898-S901 PolarHBondContact OD2-OG 2.82Å; D898-H903 PolarHBondContact N-O 3.35Å; D898-H903 CarbonylContact O-C 3.55Å; D898-H903 PolarHBondContact O-N 3.28Å | ||
| 899 | M | 81.7 | Confident | 84.9 | Confident | 153 Ų | 153 | 70.6 Ų | 70.6 | 75% | 0.754 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -82.1 | -25.7 | -179.5 | -60.4 | -160.8 | 96 | 0 | 0 | 112.4 | Y904 | M899-Y904 HydrophobicContact CE-CD1 4.4Š|
| 900 | E | 83.4 | Confident | 84.9 | Confident | 187 Ų | 187 | 69.7 Ų | 69.7 | 87% | 0.874 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -77.8 | -42.8 | -175.6 | -71.3 | -170.3 | 169.9 | 0 | 0 | 112.2 | D898 G902 | D898-E900 PolarHBondContact OD1-N 2.96Å; E900-G902 PolarHBondContact O-N 3.48Å |
| 901 | S | 80.8 | Confident | 84.9 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -71.1 | -13.1 | 172.5 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | Q882 F883 D898 H903 | Q882-S901 PolarHBondContact NE2-O 2.94Å; F883-S901 WeakPolarHBondContact CZ-O 3.28Å; D898-S901 WeakPolarHBondContact CB-OG 3.23Å; D898-S901 WeakPolarHBondContact OD2-CB 3.26Å; D898-S901 PolarHBondContact OD2-N 3.04Å; D898-S901 PolarHBondContact OD2-OG 2.82Å; S901-H903 PolarHBondContact O-N 2.87Å; S901-H903 PolarHBondContact OG-N 3.35Å |
| 902 | G | 82.8 | Confident | 85 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 77.3 | 3.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E900 Y904 | E900-G902 PolarHBondContact O-N 3.48Å; G902-Y904 VanDerWaalsContact O-CD2 3.3Å; G902-Y904 WeakPolarHBondContact O-CD2 3.46Å; G902-Y904 PolarHBondContact O-N 3.18Å |
| 903 | H | 85.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | trans | -78.7 | 69 | 170.5 | -69.8 | -55 | 0 | 0 | 0 | 111.4 | F883 D889 D898 S901 F905 G906 T907 D913 | F883-H903 AromaticContact CD2-CE1 3.75Å; F883-H903 AromaticContact CD2-ND1 3.78Å; F883-H903 AromaticContact CE1-CE1 3.6Å; F883-H903 AromaticContact CE1-NE2 3.9Å; F883-H903 AromaticContact CE2-CE1 3.32Å; F883-H903 WeakPolarHBondContact CE2-CE1 3.47Å; F883-H903 AromaticContact CE2-CG 3.99Å; F883-H903 AromaticContact CE2-ND1 3.31Å; F883-H903 VanDerWaalsContact CE2-ND1 3.31Å; F883-H903 WeakPolarHBondContact CE2-ND1 3.45Å; F883-H903 AromaticContact CZ-CE1 3.23Å; F883-H903 WeakPolarHBondContact CZ-CE1 3.37Å; F883-H903 AromaticContact CZ-ND1 3.66Å; F883-H903 AromaticContact CZ-NE2 3.51Å; D889-H903 IonicContact OD2-NE2 2.7Å; D898-H903 PolarHBondContact N-O 3.35Å; D898-H903 CarbonylContact O-C 3.55Å; D898-H903 PolarHBondContact O-N 3.28Å; S901-H903 PolarHBondContact O-N 2.87Å; S901-H903 PolarHBondContact OG-N 3.35Å; H903-F905 PolarHBondContact O-N 2.99Å; H903-G906 PolarHBondContact O-N 3.28Å; H903-T907 HydrophobicContact CB-CG2 4.19Å; H903-D913 WeakPolarHBondContact CA-OD2 3.26Å; H903-D913 IonicContact CE1-OD2 3.51Å; H903-D913 IonicContact CG-OD2 3.56Å; H903-D913 IonicContact ND1-OD2 2.6Å; H903-D913 PolarHBondContact ND1-OD2 3.23Å | ||
| 904 | Y | 85.3 | Confident | 85.2 | Confident | 101 Ų | 101 | 56 Ų | 56 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -29.9 | -169.6 | -58.8 | -64.4 | 0 | 0 | 0 | 114.8 | P897 M899 G902 L915 | P897-Y904 WeakPolarHBondContact CB-O 3.31Å; M899-Y904 HydrophobicContact CE-CD1 4.4Å; G902-Y904 VanDerWaalsContact O-CD2 3.3Å; G902-Y904 WeakPolarHBondContact O-CD2 3.46Å; G902-Y904 PolarHBondContact O-N 3.18Å; Y904-L915 HydrophobicContact CD2-CD2 3.71Å |
| 905 | F | 86.1 | Confident | 85.2 | Confident | 101 Ų | 101 | 52.5 Ų | 52.5 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 5.4 | 176.5 | -71.2 | -1 | 0 | 0 | 0 | 113 | F873 H903 L914 L915 | F873-F905 HydrophobicContact CZ-CE2 4.49Å; H903-F905 PolarHBondContact O-N 2.99Å; F905-L914 HydrophobicContact CB-CB 3.89Å; F905-L914 VanDerWaalsContact O-CD1 3.29Å; F905-L914 WeakPolarHBondContact O-CD1 2.9Å; F905-L915 HydrophobicContact CB-CB 4.23Å; F905-L915 HydrophobicContact CD2-CB 3.93Å; F905-L915 HydrophobicContact CD2-CD1 3.72Å; F905-L915 HydrophobicContact CD2-CG 4.48Å; F905-L915 HydrophobicContact CE1-CD1 4.26Å; F905-L915 HydrophobicContact CE2-CD1 3.42Å; F905-L915 VanDerWaalsContact CE2-CD1 3.42Å; F905-L915 HydrophobicContact CG-CB 4.06Å; F905-L915 HydrophobicContact CG-CD1 4.26Å; F905-L915 HydrophobicContact CZ-CD1 3.72Å |
| 906 | G | 88.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | 84.1 | -171.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112 | S895 H903 L914 | S895-G906 WeakPolarHBondContact O-CA 3.23Å; H903-G906 PolarHBondContact O-N 3.28Å; G906-L914 WeakPolarHBondContact O-CB 3.34Å; G906-L914 PolarHBondContact O-N 3.29Å | ||
| 907 | T | 88.6 | Confident | 85 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -119 | 158.6 | 175.5 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | M892 S894 S895 H903 R912 | M892-T907 HydrophobicContact CB-CG2 3.88Å; M892-T907 PolarHBondContact O-OG1 3.28Å; S894-T907 PolarHBondContact N-OG1 2.69Å; S894-T907 VanDerWaalsContact N-OG1 3.17Å; S895-T907 PolarHBondContact N-OG1 2.9Å; S895-T907 PolarHBondContact O-N 3.28Å; S895-T907 VanDerWaalsContact O-N 3.17Å; S895-T907 WeakPolarHBondContact OG-CG2 3.42Å; S895-T907 PolarHBondContact OG-N 3.38Å; S895-T907 PolarHBondContact OG-OG1 2.92Å; H903-T907 HydrophobicContact CB-CG2 4.19Å; T907-R912 CarbonylContact C-O 3.54Å; T907-R912 WeakPolarHBondContact CA-O 3.4Å; T907-R912 WeakPolarHBondContact CB-O 3.41Å |
| 908 | D | 85.7 | Confident | 84.8 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | trans | -75.7 | -179.9 | 172.3 | 73.5 | 10.2 | 0 | 0 | 0 | 112.5 | S894 S910 G911 R912 L914 R917 | S894-D908 PolarHBondContact N-O 3.36Å; D908-S910 PolarHBondContact O-N 3Å; D908-S910 WeakPolarHBondContact OD1-CA 3.35Å; D908-S910 WeakPolarHBondContact OD1-CB 3.41Å; D908-S910 PolarHBondContact OD1-N 2.97Å; D908-G911 PolarHBondContact O-N 2.78Å; D908-G911 PolarHBondContact OD1-N 2.88Å; D908-G911 VanDerWaalsContact OD1-N 3.14Å; D908-R912 PolarHBondContact N-O 3.03Å; D908-R912 PolarHBondContact OD1-N 2.93Å; D908-R912 IonicContact OD1-NE 2.89Å; D908-R912 IonicContact OD2-CZ 3.67Å; D908-R912 VanDerWaalsContact OD2-CZ 3.32Å; D908-R912 IonicContact OD2-NE 3.92Å; D908-R912 PolarHBondContact OD2-NE 3.41Å; D908-R912 IonicContact OD2-NH2 3.79Å; D908-R912 PolarHBondContact OD2-NH2 2.96Å; D908-L914 HydrophobicContact CB-CD2 3.98Å; D908-R917 WeakPolarHBondContact OD2-CD 2.94Å; D908-R917 IonicContact OD2-CZ 2.77Å; D908-R917 IonicContact OD2-NE 2.7Å; D908-R917 IonicContact OD2-NH1 3.56Å; D908-R917 PolarHBondContact OD2-NH1 3.02Å | ||
| 909 | S | 83.6 | Confident | 84.7 | Confident | 85 Ų | 85 | 49.1 Ų | 49.1 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.1 | 178.3 | 61.6 | 0 | 0 | 0 | 0 | 114.7 | M893 S894 | M893-S909 WeakPolarHBondContact CE-O 3.44Å; S894-S909 WeakPolarHBondContact OG-CA 3.36Å |
| 910 | S | 82.9 | Confident | 84.7 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -6.7 | 173.6 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | T888 D908 R912 | T888-S910 WeakPolarHBondContact CG2-O 2.88Å; D908-S910 PolarHBondContact O-N 3Å; D908-S910 WeakPolarHBondContact OD1-CA 3.35Å; D908-S910 WeakPolarHBondContact OD1-CB 3.41Å; D908-S910 PolarHBondContact OD1-N 2.97Å; S910-R912 PolarHBondContact OG-NH2 2.92Å |
| 911 | G | 84.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 87.5 | 14.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D889 D908 | D889-G911 PolarHBondContact N-O 3.26Å; D889-G911 VanDerWaalsContact O-CA 3.28Å; D889-G911 WeakPolarHBondContact O-CA 3.31Å; D908-G911 PolarHBondContact O-N 2.78Å; D908-G911 PolarHBondContact OD1-N 2.88Å; D908-G911 VanDerWaalsContact OD1-N 3.14Å |
| 912 | R | 86.7 | Confident | 84.2 | Confident | 70 Ų | 70 | 37.1 Ų | 37.1 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | trans | -88.3 | 141.2 | 176.5 | -60.7 | 176.4 | -66.6 | -139.5 | -12.7 | 110.7 | D887 T888 T907 D908 S910 L914 | D887-R912 WeakPolarHBondContact O-CG 3.34Å; T888-R912 HydrophobicContact CG2-CG 4.42Å; T907-R912 CarbonylContact C-O 3.54Å; T907-R912 WeakPolarHBondContact CA-O 3.4Å; T907-R912 WeakPolarHBondContact CB-O 3.41Å; D908-R912 PolarHBondContact N-O 3.03Å; D908-R912 PolarHBondContact OD1-N 2.93Å; D908-R912 IonicContact OD1-NE 2.89Å; D908-R912 IonicContact OD2-CZ 3.67Å; D908-R912 VanDerWaalsContact OD2-CZ 3.32Å; D908-R912 IonicContact OD2-NE 3.92Å; D908-R912 PolarHBondContact OD2-NE 3.41Å; D908-R912 IonicContact OD2-NH2 3.79Å; D908-R912 PolarHBondContact OD2-NH2 2.96Å; S910-R912 PolarHBondContact OG-NH2 2.92Å; R912-L914 PolarHBondContact O-N 3.48Å | ||
| 913 | D | 87.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 122.2 | -177.3 | -176.6 | -92.3 | 0 | 0 | 0 | 113 | F883 H903 L915 V916 R917 | F883-D913 HydrophobicContact CB-CB 4.15Å; F883-D913 HydrophobicContact CD2-CB 3.89Å; F883-D913 HydrophobicContact CG-CB 4.22Å; H903-D913 WeakPolarHBondContact CA-OD2 3.26Å; H903-D913 IonicContact CE1-OD2 3.51Å; H903-D913 IonicContact CG-OD2 3.56Å; H903-D913 IonicContact ND1-OD2 2.6Å; H903-D913 PolarHBondContact ND1-OD2 3.23Å; D913-L915 VanDerWaalsContact C-N 3.34Å; D913-L915 PolarHBondContact O-N 3Å; D913-L915 WeakPolarHBondContact OD1-CA 3.23Å; D913-L915 VanDerWaalsContact OD1-CB 3.22Å; D913-L915 WeakPolarHBondContact OD1-CB 3.24Å; D913-L915 PolarHBondContact OD1-N 3.24Å; D913-V916 HydrophobicContact CB-CB 4.34Å; D913-V916 HydrophobicContact CB-CG2 4.11Å; D913-V916 WeakPolarHBondContact OD1-CG2 3.2Å; D913-V916 PolarHBondContact OD1-N 2.74Å; D913-R917 WeakPolarHBondContact O-CG 3.38Å; D913-R917 PolarHBondContact O-N 3.47Å |
| 914 | L | 86.5 | Confident | 83.4 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.1 | -30.5 | -177.2 | -75.6 | 170.4 | 0 | 0 | 0 | 112.8 | F905 G906 D908 R912 R917 V918 | F905-L914 HydrophobicContact CB-CB 3.89Å; F905-L914 VanDerWaalsContact O-CD1 3.29Å; F905-L914 WeakPolarHBondContact O-CD1 2.9Å; G906-L914 WeakPolarHBondContact O-CB 3.34Å; G906-L914 PolarHBondContact O-N 3.29Å; D908-L914 HydrophobicContact CB-CD2 3.98Å; R912-L914 PolarHBondContact O-N 3.48Å; L914-R917 PolarHBondContact O-N 3.26Å; L914-V918 WeakPolarHBondContact O-CB 3.44Å; L914-V918 VanDerWaalsContact O-CG2 3.23Å; L914-V918 WeakPolarHBondContact O-CG2 3.48Å; L914-V918 PolarHBondContact O-N 3.04Å |
| 915 | L | 86.3 | Confident | 82.6 | Confident | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.8 | 173.6 | 70.3 | 0 | 0 | 0 | 110.3 | F873 Y904 F905 D913 R917 V918 A919 | F873-L915 HydrophobicContact CE2-CD1 3.94Å; F873-L915 HydrophobicContact CZ-CD1 3.47Å; F873-L915 VanDerWaalsContact CZ-CD1 3.47Å; Y904-L915 HydrophobicContact CD2-CD2 3.71Å; F905-L915 HydrophobicContact CB-CB 4.23Å; F905-L915 HydrophobicContact CD2-CB 3.93Å; F905-L915 HydrophobicContact CD2-CD1 3.72Å; F905-L915 HydrophobicContact CD2-CG 4.48Å; F905-L915 HydrophobicContact CE1-CD1 4.26Å; F905-L915 HydrophobicContact CE2-CD1 3.42Å; F905-L915 VanDerWaalsContact CE2-CD1 3.42Å; F905-L915 HydrophobicContact CG-CB 4.06Å; F905-L915 HydrophobicContact CG-CD1 4.26Å; F905-L915 HydrophobicContact CZ-CD1 3.72Å; D913-L915 VanDerWaalsContact C-N 3.34Å; D913-L915 PolarHBondContact O-N 3Å; D913-L915 WeakPolarHBondContact OD1-CA 3.23Å; D913-L915 VanDerWaalsContact OD1-CB 3.22Å; D913-L915 WeakPolarHBondContact OD1-CB 3.24Å; D913-L915 PolarHBondContact OD1-N 3.24Å; L915-R917 PolarHBondContact O-N 3.25Å; L915-V918 PolarHBondContact O-N 2.65Å; L915-A919 WeakPolarHBondContact O-CB 3.5Å; L915-A919 PolarHBondContact O-N 3.16Å |
| 916 | V | 85.4 | Confident | 81.8 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.4 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | S881 F883 Y885 D913 A919 I920 | S881-V916 WeakPolarHBondContact OG-CG2 3.39Å; F883-V916 HydrophobicContact CB-CG2 4.41Å; F883-V916 WeakPolarHBondContact O-CG2 3.08Å; Y885-V916 HydrophobicContact CD2-CG1 4.27Å; D913-V916 HydrophobicContact CB-CB 4.34Å; D913-V916 HydrophobicContact CB-CG2 4.11Å; D913-V916 WeakPolarHBondContact OD1-CG2 3.2Å; D913-V916 PolarHBondContact OD1-N 2.74Å; V916-A919 PolarHBondContact O-N 3.26Å; V916-I920 HydrophobicContact CG1-CD1 3.7Å; V916-I920 HydrophobicContact CG1-CG1 4.43Å; V916-I920 WeakPolarHBondContact O-CB 3.35Å; V916-I920 PolarHBondContact O-N 2.94Å |
| 917 | R | 84 | Confident | 80.9 | Confident | 86 Ų | 86 | 46.3 Ų | 46.3 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | -179.1 | -66.4 | -167.5 | 83.6 | -149.7 | -4.7 | 112.4 | Y885 D908 D913 L914 L915 G921 | Y885-R917 HydrophobicContact CE2-CG 4.29Å; D908-R917 WeakPolarHBondContact OD2-CD 2.94Å; D908-R917 IonicContact OD2-CZ 2.77Å; D908-R917 IonicContact OD2-NE 2.7Å; D908-R917 IonicContact OD2-NH1 3.56Å; D908-R917 PolarHBondContact OD2-NH1 3.02Å; D913-R917 WeakPolarHBondContact O-CG 3.38Å; D913-R917 PolarHBondContact O-N 3.47Å; L914-R917 PolarHBondContact O-N 3.26Å; L915-R917 PolarHBondContact O-N 3.25Å; R917-G921 PolarHBondContact O-N 3.4Å |
| 918 | V | 82.1 | Confident | 79.9 | Confident | 82 Ų | 82 | 50.5 Ų | 50.5 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | L914 L915 G922 | L914-V918 WeakPolarHBondContact O-CB 3.44Å; L914-V918 VanDerWaalsContact O-CG2 3.23Å; L914-V918 WeakPolarHBondContact O-CG2 3.48Å; L914-V918 PolarHBondContact O-N 3.04Å; L915-V918 PolarHBondContact O-N 2.65Å; V918-G922 WeakPolarHBondContact O-CA 3.09Å; V918-G922 PolarHBondContact O-N 3.45Å |
| 919 | A | 81.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.2 | -45.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F873 A877 L915 V916 G922 G923 | F873-A919 HydrophobicContact CE1-CB 4.11Å; A877-A919 HydrophobicContact CB-CB 3.05Å; L915-A919 WeakPolarHBondContact O-CB 3.5Å; L915-A919 PolarHBondContact O-N 3.16Å; V916-A919 PolarHBondContact O-N 3.26Å; A919-G922 PolarHBondContact O-N 2.8Å; A919-G923 PolarHBondContact O-N 3.5Å |
| 920 | I | 80.3 | Confident | 77.7 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 28% | 0.277 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 178.5 | -69.4 | 176.7 | 0 | 0 | 0 | 110.5 | Y885 V916 G922 G923 I924 | Y885-I920 HydrophobicContact CD2-CB 3.92Å; Y885-I920 HydrophobicContact CD2-CD1 3.58Å; Y885-I920 HydrophobicContact CD2-CG1 4.29Å; Y885-I920 HydrophobicContact CD2-CG2 3.85Å; Y885-I920 HydrophobicContact CE2-CB 4.15Å; Y885-I920 HydrophobicContact CE2-CG2 3.92Å; Y885-I920 HydrophobicContact CG-CD1 3.9Å; V916-I920 HydrophobicContact CG1-CD1 3.7Å; V916-I920 HydrophobicContact CG1-CG1 4.43Å; V916-I920 WeakPolarHBondContact O-CB 3.35Å; V916-I920 PolarHBondContact O-N 2.94Å; I920-G922 VanDerWaalsContact C-N 3.31Å; I920-G922 PolarHBondContact O-N 3.06Å; I920-G923 PolarHBondContact O-N 3.34Å; I920-I924 HydrophobicContact CG2-CD1 4.01Å; I920-I924 WeakPolarHBondContact O-CG1 3.28Å; I920-I924 PolarHBondContact O-N 3.04Å |
| 921 | G | 78.1 | Confident | 76.8 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R917 S925 | R917-G921 PolarHBondContact O-N 3.4Å; G921-S925 WeakPolarHBondContact O-CB 3.34Å; G921-S925 PolarHBondContact O-N 3.23Å; G921-S925 PolarHBondContact O-OG 3.25Å |
| 922 | G | 76.3 | Confident | 75.1 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V918 A919 I920 S925 L926 | V918-G922 WeakPolarHBondContact O-CA 3.09Å; V918-G922 PolarHBondContact O-N 3.45Å; A919-G922 PolarHBondContact O-N 2.8Å; I920-G922 VanDerWaalsContact C-N 3.31Å; I920-G922 PolarHBondContact O-N 3.06Å; G922-S925 PolarHBondContact O-N 3.32Å; G922-L926 WeakPolarHBondContact O-CB 3.29Å; G922-L926 PolarHBondContact O-N 2.89Å |
| 923 | G | 76 | Confident | 73.2 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A919 I920 S925 L926 M927 | A919-G923 PolarHBondContact O-N 3.5Å; I920-G923 PolarHBondContact O-N 3.34Å; G923-S925 VanDerWaalsContact C-N 3.33Å; G923-S925 PolarHBondContact O-N 3.33Å; G923-L926 PolarHBondContact O-N 2.81Å; G923-M927 WeakPolarHBondContact O-CG 3.25Å; G923-M927 PolarHBondContact O-N 3.07Å |
| 924 | I | 75.1 | Confident | 71 | Confident | 95 Ų | 95 | 66.5 Ų | 66.5 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.6 | -65.9 | 167.6 | 0 | 0 | 0 | 110.2 | I920 L926 M927 V928 | I920-I924 HydrophobicContact CG2-CD1 4.01Å; I920-I924 WeakPolarHBondContact O-CG1 3.28Å; I920-I924 PolarHBondContact O-N 3.04Å; I924-L926 VanDerWaalsContact C-N 3.3Å; I924-L926 PolarHBondContact O-N 3.05Å; I924-M927 PolarHBondContact O-N 3.48Å; I924-V928 HydrophobicContact CG2-CG2 4.32Å; I924-V928 WeakPolarHBondContact O-CB 3.26Å; I924-V928 VanDerWaalsContact O-CG2 3.31Å; I924-V928 WeakPolarHBondContact O-CG2 3.44Å; I924-V928 PolarHBondContact O-N 3.14Å |
| 925 | S | 69.2 | Low | 70.2 | Confident | 82 Ų | 82 | 67 Ų | 67 | 57% | 0.573 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.7 | -39 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | G921 G922 G923 G929 | G921-S925 WeakPolarHBondContact O-CB 3.34Å; G921-S925 PolarHBondContact O-N 3.23Å; G921-S925 PolarHBondContact O-OG 3.25Å; G922-S925 PolarHBondContact O-N 3.32Å; G923-S925 VanDerWaalsContact C-N 3.33Å; G923-S925 PolarHBondContact O-N 3.33Å; S925-G929 PolarHBondContact O-N 2.81Å |
| 926 | L | 69.6 | Low | 69.3 | Low | 71 Ų | 71 | 69.9 Ų | 69.9 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 177.9 | -152.1 | 131.6 | 0 | 0 | 0 | 111.2 | I870 G922 G923 I924 G929 V930 | I870-L926 HydrophobicContact CG2-CD1 4.27Å; G922-L926 WeakPolarHBondContact O-CB 3.29Å; G922-L926 PolarHBondContact O-N 2.89Å; G923-L926 PolarHBondContact O-N 2.81Å; I924-L926 VanDerWaalsContact C-N 3.3Å; I924-L926 PolarHBondContact O-N 3.05Å; L926-G929 PolarHBondContact O-N 3.29Å; L926-V930 HydrophobicContact CD2-CG2 4.43Å; L926-V930 WeakPolarHBondContact O-CB 3.04Å; L926-V930 WeakPolarHBondContact O-CG2 3.48Å; L926-V930 PolarHBondContact O-N 3.25Å |
| 927 | M | 70.3 | Confident | 68.4 | Low | 142 Ų | 142 | 73.3 Ų | 73.3 | 70% | 0.7 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.8 | -44.8 | 173.7 | -72.4 | -175.7 | 75.7 | 0 | 0 | 112.2 | G923 I924 V930 A931 | G923-M927 WeakPolarHBondContact O-CG 3.25Å; G923-M927 PolarHBondContact O-N 3.07Å; I924-M927 PolarHBondContact O-N 3.48Å; M927-V930 PolarHBondContact O-N 3.41Å; M927-A931 VanDerWaalsContact O-CB 3.25Å; M927-A931 WeakPolarHBondContact O-CB 3.38Å; M927-A931 PolarHBondContact O-N 2.91Å |
| 928 | V | 67.5 | Low | 67.5 | Low | 93 Ų | 93 | 72.5 Ų | 72.5 | 56% | 0.564 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 176.4 | 172 | 0 | 0 | 0 | 0 | 110.6 | I924 V930 A931 A932 | I924-V928 HydrophobicContact CG2-CG2 4.32Å; I924-V928 WeakPolarHBondContact O-CB 3.26Å; I924-V928 VanDerWaalsContact O-CG2 3.31Å; I924-V928 WeakPolarHBondContact O-CG2 3.44Å; I924-V928 PolarHBondContact O-N 3.14Å; V928-V930 PolarHBondContact O-N 3.09Å; V928-A931 PolarHBondContact O-N 3Å; V928-A932 VanDerWaalsContact O-CB 3.23Å; V928-A932 WeakPolarHBondContact O-CB 3.38Å; V928-A932 PolarHBondContact O-N 2.92Å |
| 929 | G | 60.1 | Low | 66.6 | Low | 41 Ų | 41 | 71.9 Ų | 71.9 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S925 L926 A933 | S925-G929 PolarHBondContact O-N 2.81Å; L926-G929 PolarHBondContact O-N 3.29Å; G929-A933 VanDerWaalsContact O-CB 3.27Å; G929-A933 WeakPolarHBondContact O-CB 3.47Å; G929-A933 PolarHBondContact O-N 3.13Å |
| 930 | V | 62.6 | Low | 65.6 | Low | 74 Ų | 74 | 76.7 Ų | 76.7 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -46 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L926 M927 V928 A932 A933 L934 | L926-V930 HydrophobicContact CD2-CG2 4.43Å; L926-V930 WeakPolarHBondContact O-CB 3.04Å; L926-V930 WeakPolarHBondContact O-CG2 3.48Å; L926-V930 PolarHBondContact O-N 3.25Å; M927-V930 PolarHBondContact O-N 3.41Å; V928-V930 PolarHBondContact O-N 3.09Å; V930-A932 VanDerWaalsContact C-N 3.28Å; V930-A932 PolarHBondContact O-N 2.93Å; V930-A933 PolarHBondContact O-N 3.48Å; V930-A933 VanDerWaalsContact O-N 3.16Å; V930-L934 HydrophobicContact CG1-CD1 3.78Å; V930-L934 HydrophobicContact CG1-CG 4.23Å; V930-L934 WeakPolarHBondContact O-CB 3.29Å; V930-L934 VanDerWaalsContact O-CG 3.27Å; V930-L934 WeakPolarHBondContact O-CG 3.33Å; V930-L934 PolarHBondContact O-N 3.13Å |
| 931 | A | 63 | Low | 64.6 | Low | 67 Ų | 67 | 78.3 Ų | 78.3 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -28.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M927 V928 | M927-A931 VanDerWaalsContact O-CB 3.25Å; M927-A931 WeakPolarHBondContact O-CB 3.38Å; M927-A931 PolarHBondContact O-N 2.91Å; V928-A931 PolarHBondContact O-N 3Å |
| 932 | A | 49.8 | Very low | 63.6 | Low | 84 Ų | 84 | 82.1 Ų | 82.1 | 69% | 0.694 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -80.7 | -22.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | V928 V930 | V928-A932 VanDerWaalsContact O-CB 3.23Å; V928-A932 WeakPolarHBondContact O-CB 3.38Å; V928-A932 PolarHBondContact O-N 2.92Å; V930-A932 VanDerWaalsContact C-N 3.28Å; V930-A932 PolarHBondContact O-N 2.93Å |
| 933 | A | 45.7 | Very low | 62.5 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 74% | 0.744 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -88 | -26.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G929 V930 | G929-A933 VanDerWaalsContact O-CB 3.27Å; G929-A933 WeakPolarHBondContact O-CB 3.47Å; G929-A933 PolarHBondContact O-N 3.13Å; V930-A933 PolarHBondContact O-N 3.48Å; V930-A933 VanDerWaalsContact O-N 3.16Å |
| 934 | L | 41.2 | Very low | 61.3 | Low | 188 Ų | 188 | 93.4 Ų | 93.4 | 98% | 0.984 | 60% | 0.595 | S | S | * | * | trans | -74.9 | 0 | 168.5 | -70.6 | 171.7 | 0 | 0 | 0 | 110.5 | V930 | V930-L934 HydrophobicContact CG1-CD1 3.78Å; V930-L934 HydrophobicContact CG1-CG 4.23Å; V930-L934 WeakPolarHBondContact O-CB 3.29Å; V930-L934 VanDerWaalsContact O-CG 3.27Å; V930-L934 WeakPolarHBondContact O-CG 3.33Å; V930-L934 PolarHBondContact O-N 3.13Å |
Retrieved 934 of 934 residues in 1514.2 ms
(Link to these results)