| 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 | 38.7 | Very low | 76 | Confident | 166 Ų | 166 | 71.1 Ų | 71.1 | 82% | 0.818 | 41% | 0.414 | S | S | * | . | 0 | 126.1 | 0 | -70.7 | -179.9 | -139.7 | 0 | 0 | 107.2 | |||||
| 2 | A | 44.9 | Very low | 76.9 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 78% | 0.777 | 41% | 0.408 | S | S | * | . | trans | -54 | 146.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | I4 | A2-I4 PolarHBondContact O-N 2.9Š| ||
| 3 | F | 63.4 | Low | 77.6 | Confident | 154 Ų | 154 | 72.6 Ų | 72.6 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | trans | -59.3 | 112.6 | 176.9 | -89 | -91.4 | 0 | 0 | 0 | 108.7 | T5 A6 | F3-T5 PolarHBondContact O-N 3.37Å; F3-A6 HydrophobicContact CB-CB 4.04Å; F3-A6 WeakPolarHBondContact O-CB 3.48Å; F3-A6 PolarHBondContact O-N 3Å | ||
| 4 | I | 74.8 | Confident | 78.5 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 19% | 0.185 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.5 | -179.5 | -68.3 | 167.6 | 0 | 0 | 0 | 111.5 | A2 N7 W8 F335 T392 | A2-I4 PolarHBondContact O-N 2.9Å; I4-N7 PolarHBondContact O-OD1 2.61Å; I4-W8 HydrophobicContact CG2-CZ2 4.34Å; I4-W8 PolarHBondContact O-NE1 3.09Å; I4-F335 HydrophobicContact CB-CD1 4.35Å; I4-F335 HydrophobicContact CB-CG 4.37Å; I4-F335 HydrophobicContact CD1-CD1 3.64Å; I4-F335 HydrophobicContact CD1-CE1 3.33Å; I4-F335 HydrophobicContact CD1-CE2 4.44Å; I4-F335 HydrophobicContact CD1-CG 4.32Å; I4-F335 HydrophobicContact CD1-CZ 3.76Å; I4-F335 HydrophobicContact CG2-CB 4.18Å; I4-F335 HydrophobicContact CG2-CD1 4.25Å; I4-F335 HydrophobicContact CG2-CD2 3.92Å; I4-F335 HydrophobicContact CG2-CE2 4.33Å; I4-F335 HydrophobicContact CG2-CG 3.87Å; I4-T392 HydrophobicContact CD1-CG2 3.78Å |
| 5 | T | 82.7 | Confident | 79.4 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 14% | 0.135 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -9.3 | 177.2 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | F3 N7 W8 F335 | F3-T5 PolarHBondContact O-N 3.37Å; T5-N7 PolarHBondContact O-N 3.1Å; T5-W8 HydrophobicContact CG2-CD2 4.16Å; T5-W8 HydrophobicContact CG2-CE3 4.06Å; T5-W8 HydrophobicContact CG2-CH2 4.14Å; T5-W8 HydrophobicContact CG2-CZ2 4.26Å; T5-W8 HydrophobicContact CG2-CZ3 4.05Å; T5-W8 WeakPolarHBondContact O-CB 3.49Å; T5-W8 PolarHBondContact O-N 3.24Å; T5-W8 VanDerWaalsContact O-N 3.07Å; T5-F335 HydrophobicContact CG2-CB 4.25Å; T5-F335 WeakPolarHBondContact CG2-O 3.31Å |
| 6 | A | 80.5 | Confident | 80.3 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 70% | 0.702 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -25.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F3 | F3-A6 HydrophobicContact CB-CB 4.04Å; F3-A6 WeakPolarHBondContact O-CB 3.48Å; F3-A6 PolarHBondContact O-N 3Å |
| 7 | N | 84.7 | Confident | 81.1 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 13.2 | 177 | 67.2 | -18.3 | 0 | 0 | 0 | 113.3 | I4 T5 N9 K18 | I4-N7 PolarHBondContact O-OD1 2.61Å; T5-N7 PolarHBondContact O-N 3.1Å; N7-N9 PolarHBondContact O-ND2 3.03Å; N7-N9 VanDerWaalsContact O-ND2 3.12Å; N7-K18 PolarHBondContact ND2-O 2.89Å |
| 8 | W | 91.6 | Very high | 81.7 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.6 | 178.5 | -67.7 | 17.2 | 0 | 0 | 0 | 110.5 | I4 T5 F15 Y16 V327 C331 Q332 F335 | I4-W8 HydrophobicContact CG2-CZ2 4.34Å; I4-W8 PolarHBondContact O-NE1 3.09Å; T5-W8 HydrophobicContact CG2-CD2 4.16Å; T5-W8 HydrophobicContact CG2-CE3 4.06Å; T5-W8 HydrophobicContact CG2-CH2 4.14Å; T5-W8 HydrophobicContact CG2-CZ2 4.26Å; T5-W8 HydrophobicContact CG2-CZ3 4.05Å; T5-W8 WeakPolarHBondContact O-CB 3.49Å; T5-W8 PolarHBondContact O-N 3.24Å; T5-W8 VanDerWaalsContact O-N 3.07Å; W8-F15 HydrophobicContact CB-CB 4.28Å; W8-F15 HydrophobicContact CB-CD1 4.1Å; W8-F15 HydrophobicContact CB-CG 4.5Å; W8-F15 HydrophobicContact CD2-CB 4.45Å; W8-F15 HydrophobicContact CE3-CB 4.09Å; W8-F15 HydrophobicContact CE3-CD1 4.32Å; W8-F15 HydrophobicContact CE3-CD2 4.36Å; W8-F15 AromaticContact CE3-CG 4Å; W8-F15 HydrophobicContact CE3-CG 4Å; W8-Y16 WeakPolarHBondContact CA-O 3.45Å; W8-V327 HydrophobicContact CD2-CG1 4.23Å; W8-V327 HydrophobicContact CD2-CG2 3.99Å; W8-V327 HydrophobicContact CE3-CG1 4.36Å; W8-V327 HydrophobicContact CG-CG2 4.11Å; W8-V327 HydrophobicContact CH2-CG1 3.77Å; W8-V327 HydrophobicContact CZ2-CG1 3.6Å; W8-V327 HydrophobicContact CZ3-CG1 4.15Å; W8-C331 WeakPolarHBondContact CH2-O 3.48Å; W8-Q332 HydrophobicContact CH2-CB 4.48Å; W8-Q332 HydrophobicContact CH2-CG 4.41Å; W8-Q332 HydrophobicContact CZ3-CB 4.2Å; W8-Q332 HydrophobicContact CZ3-CG 4.06Å; W8-F335 HydrophobicContact CH2-CB 3.77Å; W8-F335 HydrophobicContact CZ2-CB 3.95Å; W8-F335 HydrophobicContact CZ2-CD2 4.49Å |
| 9 | N | 92.6 | Very high | 82.3 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.3 | -179.2 | -62.3 | -90.2 | 0 | 0 | 0 | 108.2 | N7 F15 Y16 I296 F298 | N7-N9 PolarHBondContact O-ND2 3.03Å; N7-N9 VanDerWaalsContact O-ND2 3.12Å; N9-F15 CarbonylContact O-C 3.59Å; N9-F15 WeakPolarHBondContact O-CA 3.46Å; N9-Y16 PolarHBondContact N-O 3.05Å; N9-Y16 PolarHBondContact O-N 2.98Å; N9-I296 HydrophobicContact CB-CD1 3.74Å; N9-I296 HydrophobicContact CB-CG1 4.06Å; N9-I296 HydrophobicContact CB-CG2 3.75Å; N9-F298 HydrophobicContact CB-CZ 4.37Å; N9-F298 WeakPolarHBondContact ND2-CE1 3.32Å |
| 10 | P | 91.6 | Very high | 82.8 | Confident | 85 Ų | 85 | 59.3 Ų | 59.3 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 143.1 | -179.4 | 29.1 | -33.9 | 0 | 0 | 0 | 111.4 | F15 I296 | P10-F15 HydrophobicContact CB-CD1 4.16Å; P10-F15 HydrophobicContact CB-CE1 3.95Å; P10-I296 WeakPolarHBondContact O-CG1 3.34Å |
| 11 | L | 90.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 93.7 | 172.2 | -173.7 | 70.2 | 0 | 0 | 0 | 108.3 | D13 A14 Y16 V288 D294 I296 | L11-D13 PolarHBondContact O-N 2.73Å; L11-A14 PolarHBondContact N-O 3.27Å; L11-A14 PolarHBondContact O-N 3.03Å; L11-A14 VanDerWaalsContact O-N 3.17Å; L11-Y16 HydrophobicContact CB-CD2 3.9Å; L11-Y16 HydrophobicContact CB-CE2 4.06Å; L11-Y16 HydrophobicContact CD2-CD2 3.88Å; L11-Y16 HydrophobicContact CD2-CE2 3.45Å; L11-Y16 VanDerWaalsContact CD2-CE2 3.45Å; L11-Y16 HydrophobicContact CG-CE2 4.37Å; L11-V288 HydrophobicContact CD2-CG1 4.12Å; L11-D294 HydrophobicContact CD1-CB 4.21Å; L11-D294 WeakPolarHBondContact CD1-O 3.43Å; L11-I296 HydrophobicContact CB-CD1 3.78Å; L11-I296 HydrophobicContact CB-CG1 4.27Å; L11-I296 HydrophobicContact CD1-CD1 4.44Å; L11-I296 HydrophobicContact CD1-CG1 4.21Å; L11-I296 HydrophobicContact CG-CD1 4.48Å |
| 12 | G | 87.6 | Confident | 85.9 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -125.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A14 | G12-A14 VanDerWaalsContact C-N 3.33Š|
| 13 | D | 85.9 | Confident | 88.2 | Confident | 129 Ų | 129 | 53.2 Ų | 53.2 | 69% | 0.69 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -3.9 | -179.8 | -59.6 | -44.1 | 0 | 0 | 0 | 114.3 | L11 | L11-D13 PolarHBondContact O-N 2.73Š|
| 14 | A | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 163.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L11 G12 Y16 Q275 E326 | L11-A14 PolarHBondContact N-O 3.27Å; L11-A14 PolarHBondContact O-N 3.03Å; L11-A14 VanDerWaalsContact O-N 3.17Å; G12-A14 VanDerWaalsContact C-N 3.33Å; A14-Y16 HydrophobicContact CB-CE2 4.4Å; A14-Q275 HydrophobicContact CB-CB 3.79Å; A14-Q275 HydrophobicContact CB-CG 3.71Å; A14-E326 HydrophobicContact CB-CG 4.24Å |
| 15 | F | 92.4 | Very high | 90.4 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 20% | 0.197 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 146.8 | 171.1 | -65.7 | -89.9 | 0 | 0 | 0 | 110.3 | W8 N9 P10 E326 V327 Q332 | W8-F15 HydrophobicContact CB-CB 4.28Å; W8-F15 HydrophobicContact CB-CD1 4.1Å; W8-F15 HydrophobicContact CB-CG 4.5Å; W8-F15 HydrophobicContact CD2-CB 4.45Å; W8-F15 HydrophobicContact CE3-CB 4.09Å; W8-F15 HydrophobicContact CE3-CD1 4.32Å; W8-F15 HydrophobicContact CE3-CD2 4.36Å; W8-F15 AromaticContact CE3-CG 4Å; W8-F15 HydrophobicContact CE3-CG 4Å; N9-F15 CarbonylContact O-C 3.59Å; N9-F15 WeakPolarHBondContact O-CA 3.46Å; P10-F15 HydrophobicContact CB-CD1 4.16Å; P10-F15 HydrophobicContact CB-CE1 3.95Å; F15-E326 CarbonylContact O-C 3.58Å; F15-V327 HydrophobicContact CB-CB 4.12Å; F15-V327 HydrophobicContact CB-CG2 3.89Å; F15-V327 WeakPolarHBondContact O-CG2 3.43Å; F15-V327 PolarHBondContact O-N 3.01Å; F15-Q332 HydrophobicContact CD2-CG 4.26Å |
| 16 | Y | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.4 | 174.2 | -78.6 | -103 | 0 | 0 | 0 | 110.2 | W8 N9 L11 A14 Q275 S277 V288 I296 L324 Q325 E326 | W8-Y16 WeakPolarHBondContact CA-O 3.45Å; N9-Y16 PolarHBondContact N-O 3.05Å; N9-Y16 PolarHBondContact O-N 2.98Å; L11-Y16 HydrophobicContact CB-CD2 3.9Å; L11-Y16 HydrophobicContact CB-CE2 4.06Å; L11-Y16 HydrophobicContact CD2-CD2 3.88Å; L11-Y16 HydrophobicContact CD2-CE2 3.45Å; L11-Y16 VanDerWaalsContact CD2-CE2 3.45Å; L11-Y16 HydrophobicContact CG-CE2 4.37Å; A14-Y16 HydrophobicContact CB-CE2 4.4Å; Y16-Q275 PolarHBondContact OH-O 2.79Å; Y16-S277 WeakPolarHBondContact CE1-OG 3.46Å; Y16-S277 WeakPolarHBondContact OH-CB 3.48Å; Y16-S277 PolarHBondContact OH-OG 2.98Å; Y16-V288 HydrophobicContact CD1-CG1 4.18Å; Y16-V288 HydrophobicContact CE1-CG1 4.13Å; Y16-I296 HydrophobicContact CD2-CD1 4.03Å; Y16-I296 HydrophobicContact CG-CD1 4.06Å; Y16-L324 HydrophobicContact CD1-CD1 4.35Å; Y16-Q325 WeakPolarHBondContact CA-O 3.19Å; Y16-E326 HydrophobicContact CD1-CB 4.31Å; Y16-E326 HydrophobicContact CE1-CB 3.82Å; Y16-E326 HydrophobicContact CE2-CB 4.23Å; Y16-E326 HydrophobicContact CE2-CG 4.13Å |
| 17 | R | 92.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.3 | 176.6 | 67.9 | 178.7 | 175.4 | -174 | -0.8 | 111.2 | Q325 V327 H386 E387 | R17-Q325 HydrophobicContact CG-CG 3.99Å; R17-Q325 PolarHBondContact N-O 2.94Å; R17-Q325 VanDerWaalsContact NE-NE2 3.11Å; R17-Q325 PolarHBondContact O-N 3.18Å; R17-Q325 VanDerWaalsContact O-N 3.07Å; R17-V327 HydrophobicContact CB-CG2 3.94Å; R17-V327 HydrophobicContact CG-CG2 3.84Å; R17-H386 PolarHBondContact NH2-O 3.17Å; R17-E387 IonicContact CZ-OE1 2.74Å; R17-E387 IonicContact CZ-OE2 2.69Å; R17-E387 VanDerWaalsContact NH1-CD 3.28Å; R17-E387 IonicContact NH1-OE1 3.4Å; R17-E387 PolarHBondContact NH1-OE1 3.39Å; R17-E387 IonicContact NH1-OE2 3.07Å; R17-E387 PolarHBondContact NH1-OE2 3.11Å; R17-E387 IonicContact NH2-OE1 2.78Å; R17-E387 PolarHBondContact NH2-OE1 3.47Å; R17-E387 IonicContact NH2-OE2 3.94Å |
| 18 | K | 92.5 | Very high | 90.4 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.7 | 164 | -67.7 | -165.1 | -66.9 | 158.5 | 0 | 108.8 | N7 F298 I315 E322 L323 L324 | N7-K18 PolarHBondContact ND2-O 2.89Å; K18-F298 HydrophobicContact CD-CD1 4.31Å; K18-F298 HydrophobicContact CD-CD2 4.2Å; K18-F298 HydrophobicContact CD-CE1 4.34Å; K18-F298 HydrophobicContact CD-CE2 4.22Å; K18-F298 HydrophobicContact CD-CG 4.2Å; K18-F298 HydrophobicContact CD-CZ 4.28Å; K18-F298 HydrophobicContact CG-CE2 4.39Å; K18-F298 HydrophobicContact CG-CZ 4.2Å; K18-I315 HydrophobicContact CD-CD1 4.09Å; K18-E322 IonicContact NZ-OE2 3.52Å; K18-E322 PolarHBondContact NZ-OE2 3.07Å; K18-L323 WeakPolarHBondContact CA-O 3.37Å; K18-L324 HydrophobicContact CD-CD1 4.48Å; K18-L324 HydrophobicContact CG-CB 4.27Å; K18-L324 HydrophobicContact CG-CD1 3.72Å |
| 19 | T | 92.3 | Very high | 89.2 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.9 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 108.1 | L21 E322 L323 Y388 | T19-L21 PolarHBondContact O-N 3.39Å; T19-E322 CarbonylContact O-C 3.45Å; T19-E322 WeakPolarHBondContact O-CA 3.41Å; T19-L323 PolarHBondContact N-O 3.19Å; T19-L323 PolarHBondContact O-N 3.34Å; T19-Y388 HydrophobicContact CG2-CD2 4.13Å; T19-Y388 HydrophobicContact CG2-CG 4.21Å |
| 20 | E | 92.6 | Very high | 88.1 | Confident | 120 Ų | 120 | 61 Ų | 61 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 125.8 | 172 | -169.9 | 175.7 | -177.2 | 0 | 0 | 109.7 | ||
| 21 | L | 93.3 | Very high | 87.3 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -48.1 | 179 | -62.6 | 174.6 | 0 | 0 | 0 | 110.8 | T19 R314 Q321 L323 Y388 P436 | T19-L21 PolarHBondContact O-N 3.39Å; L21-R314 HydrophobicContact CD1-CG 4.21Å; L21-Q321 WeakPolarHBondContact CA-O 3.47Å; L21-Q321 WeakPolarHBondContact CB-O 3.48Å; L21-Q321 HydrophobicContact CD1-CG 4.33Å; L21-Q321 PolarHBondContact N-O 2.86Å; L21-L323 HydrophobicContact CD1-CB 3.87Å; L21-L323 HydrophobicContact CD2-CB 4.02Å; L21-L323 HydrophobicContact CG-CB 3.95Å; L21-Y388 HydrophobicContact CD2-CD1 3.88Å; L21-Y388 HydrophobicContact CD2-CE1 3.49Å; L21-Y388 VanDerWaalsContact CD2-CE1 3.49Å; L21-P436 HydrophobicContact CB-CB 4.31Å; L21-P436 HydrophobicContact CD1-CB 3.75Å; L21-P436 HydrophobicContact CD1-CG 4.12Å; L21-P436 HydrophobicContact CD2-CB 4.17Å; L21-P436 HydrophobicContact CG-CB 4.31Å |
| 22 | Y | 94.6 | Very high | 86.9 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.4 | -178.8 | -59.6 | -61.1 | 0 | 0 | 0 | 111.4 | A68 S320 Q321 R429 M435 P436 | Y22-A68 VanDerWaalsContact CD2-O 3.3Å; Y22-A68 WeakPolarHBondContact CD2-O 3.36Å; Y22-A68 HydrophobicContact CE2-CB 4.32Å; Y22-S320 CarbonylContact O-C 3.59Å; Y22-S320 WeakPolarHBondContact O-CA 3.48Å; Y22-Q321 PolarHBondContact N-O 2.78Å; Y22-Q321 PolarHBondContact O-N 3.02Å; Y22-R429 WeakPolarHBondContact CE1-O 3.37Å; Y22-R429 PolarHBondContact OH-O 3.33Å; Y22-M435 PolarHBondContact OH-N 3.31Å; Y22-P436 HydrophobicContact CE2-CB 3.69Å; Y22-P436 HydrophobicContact CE2-CG 3.72Å |
| 23 | E | 93.5 | Very high | 86.2 | Confident | 152 Ų | 152 | 64.1 Ų | 64.1 | 71% | 0.71 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.5 | 149.5 | -171.3 | 179.6 | -176.4 | 0 | 0 | 107.5 | ||
| 24 | M | 91.9 | Very high | 85.6 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.069 | 31% | 0.307 | C | S | . | . | trans | -76.1 | 129.9 | -171 | -62.8 | -58.5 | -79.8 | 0 | 0 | 111.3 | W26 I46 S69 I316 S319 Q321 | M24-W26 VanDerWaalsContact C-N 3.27Å; M24-W26 VanDerWaalsContact CB-CD1 3.49Å; M24-W26 HydrophobicContact CB-CG 4.27Å; M24-W26 HydrophobicContact CE-CD2 3.86Å; M24-W26 HydrophobicContact CE-CE3 4.16Å; M24-W26 HydrophobicContact CE-CH2 3.5Å; M24-W26 HydrophobicContact CE-CZ2 3.13Å; M24-W26 HydrophobicContact CE-CZ3 4Å; M24-W26 PolarHBondContact O-N 2.9Å; M24-I46 HydrophobicContact CE-CD1 4.06Å; M24-S69 WeakPolarHBondContact CA-O 3.22Å; M24-I316 HydrophobicContact CE-CG2 4.45Å; M24-S319 PolarHBondContact N-O 3.49Å; M24-Q321 HydrophobicContact SD-CB 3.81Å | ||
| 25 | F | 90.6 | Very high | 85.4 | Confident | 127 Ų | 127 | 65.6 Ų | 65.6 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -75.4 | -15.3 | 178.5 | -76.5 | -92.3 | 0 | 0 | 0 | 113.7 | S69 V71 | F25-S69 WeakPolarHBondContact CD2-O 3.36Å; F25-S69 PolarHBondContact N-O 2.85Å; F25-V71 HydrophobicContact CB-CG2 4.02Å; F25-V71 HydrophobicContact CD2-CG2 4.01Å; F25-V71 HydrophobicContact CG-CG2 3.95Å |
| 26 | W | 88.1 | Confident | 85.3 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | trans | -76.6 | 156.6 | 176.1 | 57.9 | 33.4 | 0 | 0 | 0 | 111.4 | M24 L28 I46 L48 Y66 G70 I316 S318 | M24-W26 VanDerWaalsContact C-N 3.27Å; M24-W26 VanDerWaalsContact CB-CD1 3.49Å; M24-W26 HydrophobicContact CB-CG 4.27Å; M24-W26 HydrophobicContact CE-CD2 3.86Å; M24-W26 HydrophobicContact CE-CE3 4.16Å; M24-W26 HydrophobicContact CE-CH2 3.5Å; M24-W26 HydrophobicContact CE-CZ2 3.13Å; M24-W26 HydrophobicContact CE-CZ3 4Å; M24-W26 PolarHBondContact O-N 2.9Å; W26-L28 HydrophobicContact CB-CG 4.46Å; W26-L28 HydrophobicContact CD2-CD1 4.08Å; W26-L28 HydrophobicContact CD2-CG 4.32Å; W26-L28 HydrophobicContact CG-CD1 4.27Å; W26-L28 HydrophobicContact CG-CG 4.03Å; W26-L28 HydrophobicContact CZ2-CD1 4.19Å; W26-I46 HydrophobicContact CH2-CB 4.21Å; W26-I46 HydrophobicContact CH2-CD1 3.59Å; W26-I46 HydrophobicContact CH2-CG2 3.9Å; W26-I46 HydrophobicContact CZ2-CD1 4.5Å; W26-I46 HydrophobicContact CZ3-CB 4.19Å; W26-I46 HydrophobicContact CZ3-CD1 4.07Å; W26-I46 HydrophobicContact CZ3-CG2 4.18Å; W26-L48 HydrophobicContact CE3-CD1 4.12Å; W26-L48 HydrophobicContact CH2-CD1 3.97Å; W26-L48 HydrophobicContact CZ3-CD1 3.62Å; W26-Y66 HydrophobicContact CB-CD1 4.41Å; W26-Y66 HydrophobicContact CB-CE1 4.05Å; W26-Y66 AromaticContact CE3-CD1 3.57Å; W26-Y66 HydrophobicContact CE3-CD1 3.57Å; W26-Y66 AromaticContact CE3-CD2 3.59Å; W26-Y66 HydrophobicContact CE3-CD2 3.59Å; W26-Y66 AromaticContact CE3-CE1 3.98Å; W26-Y66 HydrophobicContact CE3-CE1 3.98Å; W26-Y66 AromaticContact CE3-CE2 3.96Å; W26-Y66 HydrophobicContact CE3-CE2 3.96Å; W26-Y66 AromaticContact CE3-CG 3.36Å; W26-Y66 HydrophobicContact CE3-CG 3.36Å; W26-Y66 HydrophobicContact CZ3-CD1 4.28Å; W26-Y66 AromaticContact CZ3-CD2 3.61Å; W26-Y66 HydrophobicContact CZ3-CD2 3.61Å; W26-Y66 HydrophobicContact CZ3-CE2 4.27Å; W26-Y66 AromaticContact CZ3-CG 3.6Å; W26-Y66 HydrophobicContact CZ3-CG 3.6Å; W26-G70 PolarHBondContact N-O 3.04Å; W26-I316 HydrophobicContact CH2-CG2 4.19Å; W26-I316 HydrophobicContact CZ2-CG2 3.94Å; W26-S318 VanDerWaalsContact CD1-O 3.32Å; W26-S318 PolarHBondContact NE1-O 2.83Å | ||
| 27 | S | 79.9 | Confident | 85.3 | Confident | 109 Ų | 109 | 68.5 Ų | 68.5 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | trans | -124.2 | 88.5 | 170.4 | 50.5 | 0 | 0 | 0 | 0 | 109.5 | R29 | S27-R29 PolarHBondContact O-N 2.65Š| ||
| 28 | L | 81.1 | Confident | 85.4 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -83.8 | 90.3 | 179.6 | -59.8 | 178.4 | 0 | 0 | 0 | 109.5 | W26 D30 G31 L32 L48 | W26-L28 HydrophobicContact CB-CG 4.46Å; W26-L28 HydrophobicContact CD2-CD1 4.08Å; W26-L28 HydrophobicContact CD2-CG 4.32Å; W26-L28 HydrophobicContact CG-CD1 4.27Å; W26-L28 HydrophobicContact CG-CG 4.03Å; W26-L28 HydrophobicContact CZ2-CD1 4.19Å; L28-D30 PolarHBondContact O-N 2.91Å; L28-D30 VanDerWaalsContact O-N 3.11Å; L28-G31 PolarHBondContact O-N 3.15Å; L28-L32 HydrophobicContact CD1-CD2 3.4Å; L28-L32 VanDerWaalsContact CD1-CD2 3.4Å; L28-L32 HydrophobicContact CD1-CG 4.44Å; L28-L48 HydrophobicContact CD1-CD1 4.33Å | ||
| 29 | R | 67.1 | Low | 85.5 | Confident | 237 Ų | 237 | 67.5 Ų | 67.5 | 89% | 0.894 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -33.2 | -176.4 | -68.3 | -172.6 | -175 | -137.4 | 1.1 | 114.5 | S27 | S27-R29 PolarHBondContact O-N 2.65Š|
| 30 | D | 68.1 | Low | 85.5 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 9.4 | -178.3 | -45.3 | -70.1 | 0 | 0 | 0 | 112.5 | L28 R50 L53 | L28-D30 PolarHBondContact O-N 2.91Å; L28-D30 VanDerWaalsContact O-N 3.11Å; D30-R50 IonicContact OD2-CZ 3.85Å; D30-R50 IonicContact OD2-NH2 3.51Å; D30-R50 PolarHBondContact OD2-NH2 3.15Å; D30-L53 WeakPolarHBondContact OD2-CD1 3.42Å |
| 31 | G | 75.8 | Confident | 85.3 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | -155.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113 | L28 R33 | L28-G31 PolarHBondContact O-N 3.15Å; G31-R33 VanDerWaalsContact C-N 3.27Å |
| 32 | L | 81.6 | Confident | 85.1 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 9.7 | 177.4 | -62.1 | -179.7 | 0 | 0 | 0 | 112.9 | L28 I37 L48 V305 | L28-L32 HydrophobicContact CD1-CD2 3.4Å; L28-L32 VanDerWaalsContact CD1-CD2 3.4Å; L28-L32 HydrophobicContact CD1-CG 4.44Å; L32-I37 HydrophobicContact CB-CD1 3.66Å; L32-I37 HydrophobicContact CD1-CD1 4.17Å; L32-I37 HydrophobicContact CD2-CD1 3.68Å; L32-I37 HydrophobicContact CG-CD1 4.02Å; L32-L48 HydrophobicContact CD2-CD2 3.94Å; L32-V305 HydrophobicContact CD1-CG2 4.15Å |
| 33 | R | 71.6 | Confident | 84.7 | Confident | 157 Ų | 157 | 61 Ų | 61 | 59% | 0.592 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 141 | -174.6 | -153.4 | 173.2 | -158.2 | 179.6 | 6.5 | 110.4 | G31 S35 Q303 | G31-R33 VanDerWaalsContact C-N 3.27Å; R33-S35 PolarHBondContact O-N 3.47Å; R33-S35 PolarHBondContact O-OG 3.18Å; R33-Q303 VanDerWaalsContact CA-OE1 3.26Å |
| 34 | D | 74.8 | Confident | 84.6 | Confident | 139 Ų | 139 | 53.7 Ų | 53.7 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 22.4 | 175.5 | -51.1 | -40.7 | 0 | 0 | 0 | 115.1 | ||
| 35 | S | 84.6 | Confident | 84.7 | Confident | 21 Ų | 21 | 53 Ų | 53 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.8 | 178 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | R33 L49 | R33-S35 PolarHBondContact O-N 3.47Å; R33-S35 PolarHBondContact O-OG 3.18Å; S35-L49 WeakPolarHBondContact CA-O 3.45Å |
| 36 | L | 90.8 | Very high | 84.9 | Confident | 65 Ų | 65 | 47 Ų | 47 | 34% | 0.34 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.7 | 167.1 | -67.7 | 175.8 | 0 | 0 | 0 | 108.9 | L48 L49 V83 L86 | L36-L48 WeakPolarHBondContact O-CA 3.45Å; L36-L49 HydrophobicContact CB-CB 4.22Å; L36-L49 HydrophobicContact CD1-CD2 4.23Å; L36-L49 PolarHBondContact N-O 3.43Å; L36-L49 PolarHBondContact O-N 3.13Å; L36-V83 HydrophobicContact CD1-CB 4.24Å; L36-V83 HydrophobicContact CD1-CG1 4.06Å; L36-V83 VanDerWaalsContact CD1-O 3.23Å; L36-V83 WeakPolarHBondContact CD1-O 3.4Å; L36-L86 HydrophobicContact CB-CD1 4.05Å; L36-L86 HydrophobicContact CB-CG 4.3Å; L36-L86 WeakPolarHBondContact O-CD1 3.12Å |
| 37 | I | 93.3 | Very high | 85.3 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.6 | -172.3 | -52.7 | 175.4 | 0 | 0 | 0 | 109.2 | L32 I46 A47 L48 V305 | L32-I37 HydrophobicContact CB-CD1 3.66Å; L32-I37 HydrophobicContact CD1-CD1 4.17Å; L32-I37 HydrophobicContact CD2-CD1 3.68Å; L32-I37 HydrophobicContact CG-CD1 4.02Å; I37-I46 HydrophobicContact CG2-CG2 4.15Å; I37-A47 WeakPolarHBondContact CA-O 3.37Å; I37-L48 HydrophobicContact CD1-CD2 3.84Å; I37-L48 HydrophobicContact CG1-CD2 3.58Å; I37-L48 HydrophobicContact CG1-CG 4.45Å; I37-L48 HydrophobicContact CG2-CD2 4.47Å; I37-V305 HydrophobicContact CB-CG2 4.39Å; I37-V305 HydrophobicContact CD1-CG2 3.77Å; I37-V305 HydrophobicContact CG2-CG2 4.34Å |
| 38 | A | 94.9 | Very high | 86 | Confident | 10 Ų | 10 | 41 Ų | 41 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 128.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A47 L86 W88 | A38-A47 PolarHBondContact N-O 2.92Å; A38-A47 PolarHBondContact O-N 2.96Å; A38-L86 HydrophobicContact CB-CB 3.58Å; A38-L86 VanDerWaalsContact CB-O 3.32Å; A38-L86 WeakPolarHBondContact CB-O 3.18Å; A38-W88 PolarHBondContact O-NE1 3.41Å |
| 39 | A | 94.4 | Very high | 86.5 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | P45 I46 W88 V307 I316 | A39-P45 WeakPolarHBondContact CA-O 3.36Å; A39-I46 HydrophobicContact CB-CG1 4.1Å; A39-W88 VanDerWaalsContact C-CD1 3.49Å; A39-V307 HydrophobicContact CB-CB 4.5Å; A39-V307 HydrophobicContact CB-CG1 4.24Å; A39-V307 HydrophobicContact CB-CG2 3.5Å; A39-V307 VanDerWaalsContact CB-CG2 3.5Å; A39-I316 HydrophobicContact CB-CD1 3.71Å |
| 40 | A | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -73.3 | 143.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G44 P45 W88 R314 | A40-G44 WeakPolarHBondContact O-CA 3.2Å; A40-G44 PolarHBondContact O-N 2.97Å; A40-G44 VanDerWaalsContact O-N 3.16Å; A40-P45 HydrophobicContact CB-CG 3.97Å; A40-P45 PolarHBondContact N-O 3.31Å; A40-W88 HydrophobicContact CB-CB 3.63Å; A40-W88 HydrophobicContact CB-CD2 3.94Å; A40-W88 HydrophobicContact CB-CG 3.51Å; A40-R314 PolarHBondContact O-NH2 3.22Å | ||
| 41 | P | 89.1 | Confident | 88 | Confident | 12 Ų | 12 | 32.3 Ų | 32.3 | 8% | 0.078 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 167.1 | 176.8 | 29.6 | -36.1 | 0 | 0 | 0 | 112.4 | G44 F226 | P41-G44 PolarHBondContact O-N 2.87Å; P41-F226 HydrophobicContact CB-CE2 3.96Å; P41-F226 HydrophobicContact CB-CZ 4.2Å |
| 42 | Y | 88.3 | Confident | 87.6 | Confident | 35 Ų | 35 | 32.8 Ų | 32.8 | 14% | 0.137 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 48.1 | -178.4 | -45.3 | -76 | 0 | 0 | 0 | 112.6 | G44 F226 E309 L437 Q441 L445 M446 R454 | Y42-G44 PolarHBondContact O-N 3.41Å; Y42-F226 AromaticContact CE1-CE1 3.97Å; Y42-F226 HydrophobicContact CE1-CE1 3.97Å; Y42-F226 AromaticContact CE1-CZ 3.77Å; Y42-F226 HydrophobicContact CE1-CZ 3.77Å; Y42-F226 HydrophobicContact CE2-CZ 4.04Å; Y42-F226 AromaticContact CZ-CE1 3.77Å; Y42-F226 AromaticContact CZ-CZ 3.49Å; Y42-F226 VanDerWaalsContact CZ-CZ 3.49Å; Y42-F226 VanDerWaalsContact OH-CE1 3.31Å; Y42-F226 WeakPolarHBondContact OH-CE1 3.23Å; Y42-F226 WeakPolarHBondContact OH-CZ 3.43Å; Y42-E309 WeakPolarHBondContact CA-OE2 3.5Å; Y42-E309 PolarHBondContact N-OE1 2.98Å; Y42-E309 PolarHBondContact N-OE2 3.06Å; Y42-L437 WeakPolarHBondContact O-CD2 3.18Å; Y42-Q441 HydrophobicContact CD1-CB 4.27Å; Y42-Q441 HydrophobicContact CD1-CG 4.04Å; Y42-L445 HydrophobicContact CE1-CB 4.07Å; Y42-L445 HydrophobicContact CE1-CD1 3.79Å; Y42-L445 WeakPolarHBondContact OH-CD1 3.4Å; Y42-M446 HydrophobicContact CD2-CE 4.24Å; Y42-M446 HydrophobicContact CG-CE 4.17Å; Y42-R454 PolarHBondContact O-NH1 3.49Å |
| 43 | G | 86.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 29.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 44 | G | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -69.3 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A40 P41 Y42 | A40-G44 WeakPolarHBondContact O-CA 3.2Å; A40-G44 PolarHBondContact O-N 2.97Å; A40-G44 VanDerWaalsContact O-N 3.16Å; P41-G44 PolarHBondContact O-N 2.87Å; Y42-G44 PolarHBondContact O-N 3.41Å | ||
| 45 | P | 94.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -60.6 | 164.9 | 176.2 | 33.5 | -44.3 | 0 | 0 | 0 | 113.3 | A39 A40 I65 Y66 W88 D92 L108 | A39-P45 WeakPolarHBondContact CA-O 3.36Å; A40-P45 HydrophobicContact CB-CG 3.97Å; A40-P45 PolarHBondContact N-O 3.31Å; P45-I65 HydrophobicContact CB-CG2 4.23Å; P45-Y66 CarbonylContact C-O 3.48Å; P45-Y66 VanDerWaalsContact CA-O 3.3Å; P45-Y66 WeakPolarHBondContact CA-O 3.2Å; P45-Y66 WeakPolarHBondContact CB-O 3.4Å; P45-W88 HydrophobicContact CB-CH2 3.73Å; P45-W88 HydrophobicContact CB-CZ2 3.78Å; P45-W88 HydrophobicContact CB-CZ3 4.33Å; P45-W88 HydrophobicContact CG-CD2 3.95Å; P45-W88 HydrophobicContact CG-CE3 3.76Å; P45-W88 HydrophobicContact CG-CH2 3.34Å; P45-W88 HydrophobicContact CG-CZ2 3.51Å; P45-W88 HydrophobicContact CG-CZ3 3.47Å; P45-W88 VanDerWaalsContact CG-CZ3 3.47Å; P45-D92 HydrophobicContact CG-CB 4.43Å; P45-L108 HydrophobicContact CB-CD2 3.69Å; P45-L108 HydrophobicContact CG-CD2 3.62Å | ||
| 46 | I | 95.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.5 | 175.8 | -51.5 | 166.5 | 0 | 0 | 0 | 108.8 | M24 W26 I37 A39 I65 Y66 I316 | M24-I46 HydrophobicContact CE-CD1 4.06Å; W26-I46 HydrophobicContact CH2-CB 4.21Å; W26-I46 HydrophobicContact CH2-CD1 3.59Å; W26-I46 HydrophobicContact CH2-CG2 3.9Å; W26-I46 HydrophobicContact CZ2-CD1 4.5Å; W26-I46 HydrophobicContact CZ3-CB 4.19Å; W26-I46 HydrophobicContact CZ3-CD1 4.07Å; W26-I46 HydrophobicContact CZ3-CG2 4.18Å; I37-I46 HydrophobicContact CG2-CG2 4.15Å; A39-I46 HydrophobicContact CB-CG1 4.1Å; I46-I65 CarbonylContact O-C 3.6Å; I46-I65 WeakPolarHBondContact O-CA 3.39Å; I46-Y66 PolarHBondContact N-O 3.31Å; I46-Y66 PolarHBondContact O-N 3.25Å; I46-I316 HydrophobicContact CD1-CD1 3.89Å; I46-I316 HydrophobicContact CD1-CG2 4.12Å; I46-I316 HydrophobicContact CG1-CD1 4.24Å |
| 47 | A | 96.1 | Very high | 83 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I37 A38 E64 L86 W88 L94 | I37-A47 WeakPolarHBondContact CA-O 3.37Å; A38-A47 PolarHBondContact N-O 2.92Å; A38-A47 PolarHBondContact O-N 2.96Å; A47-E64 CarbonylContact C-O 3.53Å; A47-E64 WeakPolarHBondContact CA-O 3.16Å; A47-L86 HydrophobicContact CB-CD1 4.37Å; A47-W88 HydrophobicContact CB-CH2 4.49Å; A47-W88 HydrophobicContact CB-CZ2 3.55Å; A47-L94 HydrophobicContact CB-CD1 3.54Å; A47-L94 HydrophobicContact CB-CD2 3.91Å; A47-L94 HydrophobicContact CB-CG 4.4Å |
| 48 | L | 94.1 | Very high | 81.7 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.7 | 179.3 | -81.5 | 147.2 | 0 | 0 | 0 | 108.3 | W26 L28 L32 L36 I37 R50 L63 E64 Y66 | W26-L48 HydrophobicContact CE3-CD1 4.12Å; W26-L48 HydrophobicContact CH2-CD1 3.97Å; W26-L48 HydrophobicContact CZ3-CD1 3.62Å; L28-L48 HydrophobicContact CD1-CD1 4.33Å; L32-L48 HydrophobicContact CD2-CD2 3.94Å; L36-L48 WeakPolarHBondContact O-CA 3.45Å; I37-L48 HydrophobicContact CD1-CD2 3.84Å; I37-L48 HydrophobicContact CG1-CD2 3.58Å; I37-L48 HydrophobicContact CG1-CG 4.45Å; I37-L48 HydrophobicContact CG2-CD2 4.47Å; L48-R50 HydrophobicContact CB-CG 4.49Å; L48-L63 WeakPolarHBondContact O-CA 3.41Å; L48-E64 HydrophobicContact CB-CB 4.39Å; L48-E64 PolarHBondContact N-O 3.49Å; L48-E64 PolarHBondContact O-N 2.85Å; L48-Y66 HydrophobicContact CB-CE2 4.48Å; L48-Y66 HydrophobicContact CD1-CD2 3.67Å; L48-Y66 HydrophobicContact CD1-CE2 3.52Å |
| 49 | L | 92.8 | Very high | 80.8 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 111.2 | 165.7 | -175.8 | 72.4 | 0 | 0 | 0 | 108.2 | S35 L36 P61 Q62 L63 W78 V83 L86 | S35-L49 WeakPolarHBondContact CA-O 3.45Å; L36-L49 HydrophobicContact CB-CB 4.22Å; L36-L49 HydrophobicContact CD1-CD2 4.23Å; L36-L49 PolarHBondContact N-O 3.43Å; L36-L49 PolarHBondContact O-N 3.13Å; L49-P61 HydrophobicContact CD1-CB 3.9Å; L49-P61 HydrophobicContact CG-CB 4.27Å; L49-Q62 WeakPolarHBondContact CA-O 2.99Å; L49-L63 HydrophobicContact CB-CD1 3.85Å; L49-L63 HydrophobicContact CD1-CB 3.98Å; L49-L63 HydrophobicContact CD1-CD1 3.77Å; L49-L63 HydrophobicContact CG-CD1 4.4Å; L49-W78 HydrophobicContact CD1-CB 3.93Å; L49-W78 HydrophobicContact CD1-CD2 4.45Å; L49-W78 HydrophobicContact CD1-CG 4.12Å; L49-V83 HydrophobicContact CD2-CB 3.7Å; L49-V83 HydrophobicContact CD2-CG1 4.27Å; L49-V83 HydrophobicContact CD2-CG2 3.86Å; L49-L86 HydrophobicContact CB-CD1 3.97Å |
| 50 | R | 86.7 | Confident | 80.3 | Confident | 44 Ų | 44 | 62 Ų | 62 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.6 | -176.4 | -58.3 | -169.2 | 69.2 | -161.5 | -5.6 | 110.6 | D30 L48 P61 Q62 E64 | D30-R50 IonicContact OD2-CZ 3.85Å; D30-R50 IonicContact OD2-NH2 3.51Å; D30-R50 PolarHBondContact OD2-NH2 3.15Å; L48-R50 HydrophobicContact CB-CG 4.49Å; R50-P61 CarbonylContact O-C 3.53Å; R50-P61 WeakPolarHBondContact O-CA 3.37Å; R50-P61 WeakPolarHBondContact O-CB 3.44Å; R50-Q62 PolarHBondContact N-O 2.81Å; R50-Q62 PolarHBondContact O-N 2.86Å; R50-E64 WeakPolarHBondContact CD-OE2 3.46Å |
| 51 | E | 78.9 | Confident | 80.1 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -71 | 146.2 | 169.7 | -72 | -65.7 | 156.4 | 0 | 0 | 110.8 | ||
| 52 | P | 67.4 | Low | 80.1 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 136.6 | 180 | 26.6 | -29.1 | 0 | 0 | 0 | 111.6 | R54 T59 | P52-R54 PolarHBondContact O-N 3.05Å; P52-T59 HydrophobicContact CB-CG2 3.8Å; P52-T59 HydrophobicContact CG-CG2 4.41Å |
| 53 | L | 61.3 | Low | 80.4 | Confident | 143 Ų | 143 | 64.2 Ų | 64.2 | 75% | 0.749 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -52.7 | -30.6 | 179.6 | -99.8 | 84.8 | 0 | 0 | 0 | 114.2 | D30 | D30-L53 WeakPolarHBondContact OD2-CD1 3.42Š|
| 54 | R | 61.2 | Low | 80.8 | Confident | 215 Ų | 215 | 65.4 Ų | 65.4 | 81% | 0.811 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -118.8 | 111.8 | 172.5 | -68.7 | -173.9 | -178.4 | 178.6 | 1.1 | 108.6 | P52 S56 T59 | P52-R54 PolarHBondContact O-N 3.05Å; R54-S56 PolarHBondContact O-N 2.86Å; R54-T59 PolarHBondContact O-OG1 2.97Å |
| 55 | R | 60 | Low | 81.1 | Confident | 227 Ų | 227 | 65.4 Ų | 65.4 | 86% | 0.857 | 32% | 0.321 | S | S | * | . | trans | -67.5 | 100.8 | 170 | -66 | -176.1 | -178.8 | 174.4 | 0.7 | 108.2 | ||||
| 56 | S | 63.2 | Low | 81.1 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | trans | -119.6 | 155.2 | 166.5 | 81.7 | 0 | 0 | 0 | 0 | 107.6 | R54 S58 T59 | R54-S56 PolarHBondContact O-N 2.86Å; S56-S58 PolarHBondContact O-N 3.15Å; S56-S58 PolarHBondContact OG-N 3.43Å; S56-S58 PolarHBondContact OG-OG 2.93Å; S56-T59 WeakPolarHBondContact CA-OG1 3.45Å; S56-T59 VanDerWaalsContact CB-OG1 3.31Å; S56-T59 WeakPolarHBondContact CB-OG1 3.48Å; S56-T59 PolarHBondContact N-OG1 2.92Å; S56-T59 PolarHBondContact O-N 3.19Å; S56-T59 VanDerWaalsContact O-N 3.09Å; S56-T59 PolarHBondContact O-OG1 2.68Å; S56-T59 PolarHBondContact OG-N 2.77Å; S56-T59 VanDerWaalsContact OG-N 3.1Å; S56-T59 PolarHBondContact OG-OG1 3.36Å | ||
| 57 | P | 62.3 | Low | 81.1 | Confident | 152 Ų | 152 | 66.8 Ų | 66.8 | 99% | 0.987 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21 | 177.3 | -21.6 | 32.5 | 0 | 0 | 0 | 113.3 | ||
| 58 | S | 66.5 | Low | 80.9 | Confident | 101 Ų | 101 | 66.8 Ų | 66.8 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -18.4 | 179.6 | 48.5 | 0 | 0 | 0 | 0 | 115.1 | S56 | S56-S58 PolarHBondContact O-N 3.15Å; S56-S58 PolarHBondContact OG-N 3.43Å; S56-S58 PolarHBondContact OG-OG 2.93Å |
| 59 | T | 75.3 | Confident | 80.9 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | trans | -83.5 | 125.4 | -178.3 | 8.8 | 0 | 0 | 0 | 0 | 109.7 | P52 R54 S56 | P52-T59 HydrophobicContact CB-CG2 3.8Å; P52-T59 HydrophobicContact CG-CG2 4.41Å; R54-T59 PolarHBondContact O-OG1 2.97Å; S56-T59 WeakPolarHBondContact CA-OG1 3.45Å; S56-T59 VanDerWaalsContact CB-OG1 3.31Å; S56-T59 WeakPolarHBondContact CB-OG1 3.48Å; S56-T59 PolarHBondContact N-OG1 2.92Å; S56-T59 PolarHBondContact O-N 3.19Å; S56-T59 VanDerWaalsContact O-N 3.09Å; S56-T59 PolarHBondContact O-OG1 2.68Å; S56-T59 PolarHBondContact OG-N 2.77Å; S56-T59 VanDerWaalsContact OG-N 3.1Å; S56-T59 PolarHBondContact OG-OG1 3.36Å | ||
| 60 | R | 82.8 | Confident | 81 | Confident | 133 Ų | 133 | 66.4 Ų | 66.4 | 50% | 0.502 | 33% | 0.326 | S | S | . | . | trans | -104.1 | 150.1 | 179 | -60.6 | -173.5 | -172.7 | -153.4 | -1.8 | 110.4 | W78 K79 | R60-W78 WeakPolarHBondContact CB-O 3.47Å; R60-W78 WeakPolarHBondContact CD-O 3.49Å; R60-K79 VanDerWaalsContact NH1-CB 3.32Å; R60-K79 VanDerWaalsContact NH1-CG 3.32Å | ||
| 61 | P | 88.8 | Confident | 81.3 | Confident | 23 Ų | 23 | 67.1 Ų | 67.1 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | trans | -57.4 | 152.8 | 169.7 | -20.4 | 31.5 | 0 | 0 | 0 | 111.5 | L49 R50 W78 | L49-P61 HydrophobicContact CD1-CB 3.9Å; L49-P61 HydrophobicContact CG-CB 4.27Å; R50-P61 CarbonylContact O-C 3.53Å; R50-P61 WeakPolarHBondContact O-CA 3.37Å; R50-P61 WeakPolarHBondContact O-CB 3.44Å; P61-W78 HydrophobicContact CB-CB 4.11Å; P61-W78 WeakPolarHBondContact O-CB 3.36Å; P61-W78 PolarHBondContact O-N 2.91Å | ||
| 62 | Q | 90.8 | Very high | 82 | Confident | 69 Ų | 69 | 66 Ų | 66 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.9 | 174.6 | -70 | -67.8 | -22.5 | 0 | 0 | 109.4 | L49 R50 F76 P77 | L49-Q62 WeakPolarHBondContact CA-O 2.99Å; R50-Q62 PolarHBondContact N-O 2.81Å; R50-Q62 PolarHBondContact O-N 2.86Å; Q62-F76 PolarHBondContact OE1-O 2.78Å; Q62-P77 VanDerWaalsContact OE1-N 3.16Å |
| 63 | L | 94.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.5 | 171 | -169.1 | 77.1 | 0 | 0 | 0 | 108.5 | L48 L49 S75 F76 W78 L86 L94 | L48-L63 WeakPolarHBondContact O-CA 3.41Å; L49-L63 HydrophobicContact CB-CD1 3.85Å; L49-L63 HydrophobicContact CD1-CB 3.98Å; L49-L63 HydrophobicContact CD1-CD1 3.77Å; L49-L63 HydrophobicContact CG-CD1 4.4Å; L63-S75 WeakPolarHBondContact O-CA 3.4Å; L63-F76 HydrophobicContact CB-CE1 4.44Å; L63-F76 HydrophobicContact CB-CE2 4.24Å; L63-F76 HydrophobicContact CB-CZ 4.19Å; L63-F76 HydrophobicContact CD2-CE1 3.83Å; L63-F76 HydrophobicContact CD2-CE2 3.91Å; L63-F76 HydrophobicContact CD2-CZ 3.28Å; L63-F76 HydrophobicContact CG-CE1 4.49Å; L63-F76 HydrophobicContact CG-CZ 4.25Å; L63-F76 PolarHBondContact N-O 2.84Å; L63-F76 PolarHBondContact O-N 2.91Å; L63-W78 HydrophobicContact CB-CE3 4.43Å; L63-W78 HydrophobicContact CD2-CE3 4.19Å; L63-W78 HydrophobicContact CD2-CZ3 4.15Å; L63-L86 HydrophobicContact CD1-CD1 4.31Å; L63-L86 HydrophobicContact CD1-CD2 4.27Å; L63-L94 HydrophobicContact CD1-CD2 4.31Å; L63-L94 HydrophobicContact CD2-CD2 3.66Å; L63-L94 HydrophobicContact CG-CD2 4.31Å |
| 64 | E | 94.6 | Very high | 84.8 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.5 | -176.7 | -60.9 | 172.1 | 167.4 | 0 | 0 | 109 | A47 L48 R50 Y66 | A47-E64 CarbonylContact C-O 3.53Å; A47-E64 WeakPolarHBondContact CA-O 3.16Å; L48-E64 HydrophobicContact CB-CB 4.39Å; L48-E64 PolarHBondContact N-O 3.49Å; L48-E64 PolarHBondContact O-N 2.85Å; R50-E64 WeakPolarHBondContact CD-OE2 3.46Å; E64-Y66 HydrophobicContact CB-CD2 4.23Å; E64-Y66 HydrophobicContact CB-CE2 3.41Å; E64-Y66 VanDerWaalsContact CB-CE2 3.41Å; E64-Y66 HydrophobicContact CG-CE2 4.45Å; E64-Y66 PolarHBondContact OE2-OH 2.79Å |
| 65 | I | 95.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133 | 176.1 | -56.7 | 178.2 | 0 | 0 | 0 | 108.3 | P45 I46 I73 T74 W88 L94 L108 | P45-I65 HydrophobicContact CB-CG2 4.23Å; I46-I65 CarbonylContact O-C 3.6Å; I46-I65 WeakPolarHBondContact O-CA 3.39Å; I65-I73 HydrophobicContact CG2-CB 4.39Å; I65-I73 HydrophobicContact CG2-CD1 4.33Å; I65-I73 WeakPolarHBondContact O-CB 3.25Å; I65-I73 PolarHBondContact O-N 3.14Å; I65-T74 HydrophobicContact CB-CG2 3.78Å; I65-T74 HydrophobicContact CD1-CG2 3.75Å; I65-T74 HydrophobicContact CG1-CG2 3.89Å; I65-T74 PolarHBondContact N-O 2.83Å; I65-T74 PolarHBondContact O-N 3.24Å; I65-W88 HydrophobicContact CD1-CH2 4.22Å; I65-W88 HydrophobicContact CG1-CH2 4.49Å; I65-W88 HydrophobicContact CG2-CH2 3.78Å; I65-W88 HydrophobicContact CG2-CZ2 4.23Å; I65-L94 HydrophobicContact CD1-CD2 3.9Å; I65-L94 HydrophobicContact CG1-CD2 4.24Å; I65-L108 HydrophobicContact CG2-CD2 4.34Å |
| 66 | Y | 94.9 | Very high | 88 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157.6 | -177 | -61.8 | -91.3 | 0 | 0 | 0 | 111.6 | W26 P45 I46 L48 E64 G70 V71 S72 | W26-Y66 HydrophobicContact CB-CD1 4.41Å; W26-Y66 HydrophobicContact CB-CE1 4.05Å; W26-Y66 AromaticContact CE3-CD1 3.57Å; W26-Y66 HydrophobicContact CE3-CD1 3.57Å; W26-Y66 AromaticContact CE3-CD2 3.59Å; W26-Y66 HydrophobicContact CE3-CD2 3.59Å; W26-Y66 AromaticContact CE3-CE1 3.98Å; W26-Y66 HydrophobicContact CE3-CE1 3.98Å; W26-Y66 AromaticContact CE3-CE2 3.96Å; W26-Y66 HydrophobicContact CE3-CE2 3.96Å; W26-Y66 AromaticContact CE3-CG 3.36Å; W26-Y66 HydrophobicContact CE3-CG 3.36Å; W26-Y66 HydrophobicContact CZ3-CD1 4.28Å; W26-Y66 AromaticContact CZ3-CD2 3.61Å; W26-Y66 HydrophobicContact CZ3-CD2 3.61Å; W26-Y66 HydrophobicContact CZ3-CE2 4.27Å; W26-Y66 AromaticContact CZ3-CG 3.6Å; W26-Y66 HydrophobicContact CZ3-CG 3.6Å; P45-Y66 CarbonylContact C-O 3.48Å; P45-Y66 VanDerWaalsContact CA-O 3.3Å; P45-Y66 WeakPolarHBondContact CA-O 3.2Å; P45-Y66 WeakPolarHBondContact CB-O 3.4Å; I46-Y66 PolarHBondContact N-O 3.31Å; I46-Y66 PolarHBondContact O-N 3.25Å; L48-Y66 HydrophobicContact CB-CE2 4.48Å; L48-Y66 HydrophobicContact CD1-CD2 3.67Å; L48-Y66 HydrophobicContact CD1-CE2 3.52Å; E64-Y66 HydrophobicContact CB-CD2 4.23Å; E64-Y66 HydrophobicContact CB-CE2 3.41Å; E64-Y66 VanDerWaalsContact CB-CE2 3.41Å; E64-Y66 HydrophobicContact CG-CE2 4.45Å; E64-Y66 PolarHBondContact OE2-OH 2.79Å; Y66-G70 WeakPolarHBondContact CD1-O 3.42Å; Y66-V71 CarbonylContact C-O 3.57Å; Y66-V71 VanDerWaalsContact CA-O 3.25Å; Y66-V71 WeakPolarHBondContact CA-O 3.46Å; Y66-S72 VanDerWaalsContact CD1-CA 3.43Å |
| 67 | S | 94.6 | Very high | 89.4 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | trans | -66 | 170.7 | 163.5 | 71.6 | 0 | 0 | 0 | 0 | 110.7 | S69 G70 V71 | S67-S69 PolarHBondContact O-N 2.88Å; S67-S69 PolarHBondContact OG-N 2.84Å; S67-S69 PolarHBondContact OG-OG 2.99Å; S67-G70 PolarHBondContact O-N 2.95Å; S67-G70 PolarHBondContact OG-N 2.85Å; S67-V71 PolarHBondContact N-O 2.85Å; S67-V71 WeakPolarHBondContact OG-CB 3.36Å; S67-V71 PolarHBondContact OG-N 3.32Å | ||
| 68 | A | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y22 Q321 G434 P436 | Y22-A68 VanDerWaalsContact CD2-O 3.3Å; Y22-A68 WeakPolarHBondContact CD2-O 3.36Å; Y22-A68 HydrophobicContact CE2-CB 4.32Å; A68-Q321 PolarHBondContact O-OE1 2.9Å; A68-G434 VanDerWaalsContact CB-O 3.23Å; A68-G434 WeakPolarHBondContact CB-O 3.36Å; A68-G434 PolarHBondContact N-O 2.92Å; A68-P436 HydrophobicContact CB-CG 4.05Å |
| 69 | S | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.5 | 171.1 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | M24 F25 S67 S431 | M24-S69 WeakPolarHBondContact CA-O 3.22Å; F25-S69 WeakPolarHBondContact CD2-O 3.36Å; F25-S69 PolarHBondContact N-O 2.85Å; S67-S69 PolarHBondContact O-N 2.88Å; S67-S69 PolarHBondContact OG-N 2.84Å; S67-S69 PolarHBondContact OG-OG 2.99Å; S69-S431 WeakPolarHBondContact CB-O 3.4Å; S69-S431 PolarHBondContact OG-O 2.86Å |
| 70 | G | 93 | Very high | 92.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | trans | 82.7 | 12.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W26 Y66 S67 | W26-G70 PolarHBondContact N-O 3.04Å; Y66-G70 WeakPolarHBondContact CD1-O 3.42Å; S67-G70 PolarHBondContact O-N 2.95Å; S67-G70 PolarHBondContact OG-N 2.85Å | ||
| 71 | V | 93.5 | Very high | 93 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 35% | 0.352 | 21% | 0.208 | S | C | . | . | trans | -73.7 | 128 | 171.6 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | F25 Y66 S67 I73 | F25-V71 HydrophobicContact CB-CG2 4.02Å; F25-V71 HydrophobicContact CD2-CG2 4.01Å; F25-V71 HydrophobicContact CG-CG2 3.95Å; Y66-V71 CarbonylContact C-O 3.57Å; Y66-V71 VanDerWaalsContact CA-O 3.25Å; Y66-V71 WeakPolarHBondContact CA-O 3.46Å; S67-V71 PolarHBondContact N-O 2.85Å; S67-V71 WeakPolarHBondContact OG-CB 3.36Å; S67-V71 PolarHBondContact OG-N 3.32Å; V71-I73 PolarHBondContact O-N 3.41Å | ||
| 72 | S | 93.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 51% | 0.51 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.3 | -179.3 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | Y66 | Y66-S72 VanDerWaalsContact CD1-CA 3.43Å |
| 73 | I | 93.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 36.4 Ų | 36.4 | 28% | 0.277 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -51.1 | 176.3 | -59.4 | 176.8 | 0 | 0 | 0 | 109.9 | I65 V71 L108 F109 | I65-I73 HydrophobicContact CG2-CB 4.39Å; I65-I73 HydrophobicContact CG2-CD1 4.33Å; I65-I73 WeakPolarHBondContact O-CB 3.25Å; I65-I73 PolarHBondContact O-N 3.14Å; V71-I73 PolarHBondContact O-N 3.41Å; I73-L108 HydrophobicContact CD1-CD2 4.46Å; I73-L108 VanDerWaalsContact CG2-O 3.29Å; I73-L108 WeakPolarHBondContact CG2-O 3.37Å; I73-F109 HydrophobicContact CG2-CD1 4.07Å; I73-F109 HydrophobicContact CG2-CE1 4.1Å |
| 74 | T | 94.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 38 Ų | 38 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 156 | 176.9 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | I65 F76 L108 F109 | I65-T74 HydrophobicContact CB-CG2 3.78Å; I65-T74 HydrophobicContact CD1-CG2 3.75Å; I65-T74 HydrophobicContact CG1-CG2 3.89Å; I65-T74 PolarHBondContact N-O 2.83Å; I65-T74 PolarHBondContact O-N 3.24Å; T74-F76 HydrophobicContact CG2-CD1 4.43Å; T74-F76 HydrophobicContact CG2-CE1 4.41Å; T74-L108 WeakPolarHBondContact CG2-O 3.35Å; T74-F109 WeakPolarHBondContact CB-O 3.48Å; T74-F109 PolarHBondContact OG1-O 3.41Å |
| 75 | S | 93.9 | Very high | 93.3 | Very high | 62 Ų | 62 | 40.6 Ų | 40.6 | 43% | 0.434 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 129.7 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 108.7 | L63 | L63-S75 WeakPolarHBondContact O-CA 3.4Å |
| 76 | F | 93.6 | Very high | 93.3 | Very high | 39 Ų | 39 | 40.7 Ų | 40.7 | 17% | 0.171 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 149.8 | 177.8 | 61.8 | -88.1 | 0 | 0 | 0 | 112.5 | Q62 L63 T74 W78 Y106 G110 | Q62-F76 PolarHBondContact OE1-O 2.78Å; L63-F76 HydrophobicContact CB-CE1 4.44Å; L63-F76 HydrophobicContact CB-CE2 4.24Å; L63-F76 HydrophobicContact CB-CZ 4.19Å; L63-F76 HydrophobicContact CD2-CE1 3.83Å; L63-F76 HydrophobicContact CD2-CE2 3.91Å; L63-F76 HydrophobicContact CD2-CZ 3.28Å; L63-F76 HydrophobicContact CG-CE1 4.49Å; L63-F76 HydrophobicContact CG-CZ 4.25Å; L63-F76 PolarHBondContact N-O 2.84Å; L63-F76 PolarHBondContact O-N 2.91Å; T74-F76 HydrophobicContact CG2-CD1 4.43Å; T74-F76 HydrophobicContact CG2-CE1 4.41Å; F76-W78 HydrophobicContact CE2-CE3 4.44Å; F76-W78 PolarHBondContact O-N 2.84Å; F76-Y106 HydrophobicContact CE2-CE1 4.18Å; F76-Y106 AromaticContact CZ-CD1 3.99Å; F76-Y106 HydrophobicContact CZ-CD1 3.99Å; F76-Y106 HydrophobicContact CZ-CE1 4.1Å; F76-Y106 HydrophobicContact CZ-CG 4.42Å; F76-G110 VanDerWaalsContact CE1-CA 3.43Å |
| 77 | P | 92.7 | Very high | 93.4 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 34% | 0.338 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.3 | 177 | 25.9 | -33.5 | 0 | 0 | 0 | 110.5 | Q62 K79 | Q62-P77 VanDerWaalsContact OE1-N 3.16Å; P77-K79 WeakPolarHBondContact O-CG 3.18Å; P77-K79 PolarHBondContact O-N 3.02Å |
| 78 | W | 92.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | trans | -70.5 | 120 | 174.1 | -173.4 | -106.8 | 0 | 0 | 0 | 110.2 | L49 R60 P61 L63 F76 S80 G81 V83 C96 L104 Y106 | L49-W78 HydrophobicContact CD1-CB 3.93Å; L49-W78 HydrophobicContact CD1-CD2 4.45Å; L49-W78 HydrophobicContact CD1-CG 4.12Å; R60-W78 WeakPolarHBondContact CB-O 3.47Å; R60-W78 WeakPolarHBondContact CD-O 3.49Å; P61-W78 HydrophobicContact CB-CB 4.11Å; P61-W78 WeakPolarHBondContact O-CB 3.36Å; P61-W78 PolarHBondContact O-N 2.91Å; L63-W78 HydrophobicContact CB-CE3 4.43Å; L63-W78 HydrophobicContact CD2-CE3 4.19Å; L63-W78 HydrophobicContact CD2-CZ3 4.15Å; F76-W78 HydrophobicContact CE2-CE3 4.44Å; F76-W78 PolarHBondContact O-N 2.84Å; W78-S80 PolarHBondContact NE1-O 3.37Å; W78-G81 PolarHBondContact NE1-O 3.01Å; W78-V83 HydrophobicContact CD2-CG2 4.3Å; W78-V83 VanDerWaalsContact CE2-CG2 3.42Å; W78-V83 HydrophobicContact CH2-CG2 4.09Å; W78-V83 HydrophobicContact CZ2-CG2 3.3Å; W78-C96 HydrophobicContact CH2-CB 3.47Å; W78-C96 VanDerWaalsContact CH2-CB 3.47Å; W78-C96 HydrophobicContact CZ2-CB 4.18Å; W78-C96 HydrophobicContact CZ3-CB 4.16Å; W78-L104 HydrophobicContact CH2-CB 4.45Å; W78-L104 HydrophobicContact CH2-CD1 3.51Å; W78-L104 HydrophobicContact CZ2-CD1 3.68Å; W78-Y106 AromaticContact CH2-CE2 3.86Å; W78-Y106 HydrophobicContact CH2-CE2 3.86Å; W78-Y106 HydrophobicContact CZ3-CD2 4.48Å; W78-Y106 AromaticContact CZ3-CE2 3.6Å; W78-Y106 HydrophobicContact CZ3-CE2 3.6Å; W78-Y106 AromaticContact CZ3-CZ 3.93Å | ||
| 79 | K | 90.3 | Very high | 93.5 | Very high | 155 Ų | 155 | 39.8 Ų | 39.8 | 67% | 0.674 | 23% | 0.231 | S | C | * | . | trans | -111.5 | 0.2 | -175.2 | -58.8 | -171.7 | -176.2 | 171.6 | 0 | 114.3 | R60 P77 | R60-K79 VanDerWaalsContact NH1-CB 3.32Å; R60-K79 VanDerWaalsContact NH1-CG 3.32Å; P77-K79 WeakPolarHBondContact O-CG 3.18Å; P77-K79 PolarHBondContact O-N 3.02Å | ||
| 80 | S | 90.6 | Very high | 93.2 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -101.2 | -177.4 | -177.7 | -158.9 | 0 | 0 | 0 | 0 | 111.5 | W78 Q98 L104 | W78-S80 PolarHBondContact NE1-O 3.37Å; S80-Q98 PolarHBondContact OG-NE2 3Å; S80-Q98 PolarHBondContact OG-OE1 2.91Å; S80-L104 WeakPolarHBondContact OG-CD1 3.42Å |
| 81 | G | 88.6 | Confident | 92.8 | Very high | 30 Ų | 30 | 47 Ų | 47 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -60 | 171.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | W78 Q98 | W78-G81 PolarHBondContact NE1-O 3.01Å; G81-Q98 PolarHBondContact O-NE2 2.89Å |
| 82 | P | 91.6 | Very high | 92.6 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 51% | 0.506 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 136.6 | -177.5 | -22 | 33.4 | 0 | 0 | 0 | 112.2 | Q98 E99 | P82-Q98 WeakPolarHBondContact O-CA 3.19Å; P82-Q98 WeakPolarHBondContact O-CB 3.24Å; P82-E99 HydrophobicContact CB-CG 4.01Å; P82-E99 PolarHBondContact O-N 2.61Å; P82-E99 VanDerWaalsContact O-N 3.11Å |
| 83 | V | 94.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.5 | -178.7 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | L36 L49 W78 L86 C96 V97 | L36-V83 HydrophobicContact CD1-CB 4.24Å; L36-V83 HydrophobicContact CD1-CG1 4.06Å; L36-V83 VanDerWaalsContact CD1-O 3.23Å; L36-V83 WeakPolarHBondContact CD1-O 3.4Å; L49-V83 HydrophobicContact CD2-CB 3.7Å; L49-V83 HydrophobicContact CD2-CG1 4.27Å; L49-V83 HydrophobicContact CD2-CG2 3.86Å; W78-V83 HydrophobicContact CD2-CG2 4.3Å; W78-V83 VanDerWaalsContact CE2-CG2 3.42Å; W78-V83 HydrophobicContact CH2-CG2 4.09Å; W78-V83 HydrophobicContact CZ2-CG2 3.3Å; V83-L86 HydrophobicContact CG1-CD2 3.9Å; V83-L86 HydrophobicContact CG1-CG 4.37Å; V83-C96 HydrophobicContact CG1-CB 4.39Å; V83-C96 HydrophobicContact CG2-CB 4.43Å; V83-V97 CarbonylContact C-O 3.52Å |
| 84 | V | 93.9 | Very high | 92.8 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -36.2 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 111 | V97 E99 V127 | V84-V97 PolarHBondContact N-O 3.19Å; V84-E99 HydrophobicContact CG2-CB 4.11Å; V84-E99 HydrophobicContact CG2-CG 3.34Å; V84-V127 HydrophobicContact CB-CG1 4.45Å; V84-V127 HydrophobicContact CG1-CG1 4.22Å; V84-V127 HydrophobicContact CG2-CB 4.34Å; V84-V127 HydrophobicContact CG2-CG1 4.44Å |
| 85 | Y | 95.5 | Very high | 93 | Very high | 81 Ų | 81 | 37.4 Ų | 37.4 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 140.7 | -173.5 | -170 | -99.9 | 0 | 0 | 0 | 112.1 | V97 A130 V132 | Y85-V97 PolarHBondContact N-O 3.11Å; Y85-V97 PolarHBondContact O-N 3.37Å; Y85-A130 HydrophobicContact CD1-CB 4.44Å; Y85-A130 VanDerWaalsContact CD2-O 3.25Å; Y85-A130 WeakPolarHBondContact CD2-O 3.29Å; Y85-A130 HydrophobicContact CG-CB 4.17Å; Y85-V132 HydrophobicContact CD1-CG2 4.05Å; Y85-V132 HydrophobicContact CE1-CB 3.98Å; Y85-V132 HydrophobicContact CE1-CG2 3.76Å |
| 86 | L | 96.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.4 | 168.4 | -63.9 | 178.1 | 0 | 0 | 0 | 109 | L36 A38 A47 L49 L63 V83 L95 C96 | L36-L86 HydrophobicContact CB-CD1 4.05Å; L36-L86 HydrophobicContact CB-CG 4.3Å; L36-L86 WeakPolarHBondContact O-CD1 3.12Å; A38-L86 HydrophobicContact CB-CB 3.58Å; A38-L86 VanDerWaalsContact CB-O 3.32Å; A38-L86 WeakPolarHBondContact CB-O 3.18Å; A47-L86 HydrophobicContact CB-CD1 4.37Å; L49-L86 HydrophobicContact CB-CD1 3.97Å; L63-L86 HydrophobicContact CD1-CD1 4.31Å; L63-L86 HydrophobicContact CD1-CD2 4.27Å; V83-L86 HydrophobicContact CG1-CD2 3.9Å; V83-L86 HydrophobicContact CG1-CG 4.37Å; L86-L95 WeakPolarHBondContact CA-O 3.29Å; L86-C96 HydrophobicContact CD2-CB 4.12Å; L86-C96 VanDerWaalsContact CD2-SG 3.57Å |
| 87 | G | 96.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 167.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | L95 | G87-L95 PolarHBondContact N-O 3.09Å; G87-L95 PolarHBondContact O-N 2.75Å |
| 88 | W | 95.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 141.2 | -177.1 | -69.5 | 96.4 | 0 | 0 | 0 | 111.5 | A38 A39 A40 P45 A47 I65 D92 E93 L94 L108 H134 | A38-W88 PolarHBondContact O-NE1 3.41Å; A39-W88 VanDerWaalsContact C-CD1 3.49Å; A40-W88 HydrophobicContact CB-CB 3.63Å; A40-W88 HydrophobicContact CB-CD2 3.94Å; A40-W88 HydrophobicContact CB-CG 3.51Å; P45-W88 HydrophobicContact CB-CH2 3.73Å; P45-W88 HydrophobicContact CB-CZ2 3.78Å; P45-W88 HydrophobicContact CB-CZ3 4.33Å; P45-W88 HydrophobicContact CG-CD2 3.95Å; P45-W88 HydrophobicContact CG-CE3 3.76Å; P45-W88 HydrophobicContact CG-CH2 3.34Å; P45-W88 HydrophobicContact CG-CZ2 3.51Å; P45-W88 HydrophobicContact CG-CZ3 3.47Å; P45-W88 VanDerWaalsContact CG-CZ3 3.47Å; A47-W88 HydrophobicContact CB-CH2 4.49Å; A47-W88 HydrophobicContact CB-CZ2 3.55Å; I65-W88 HydrophobicContact CD1-CH2 4.22Å; I65-W88 HydrophobicContact CG1-CH2 4.49Å; I65-W88 HydrophobicContact CG2-CH2 3.78Å; I65-W88 HydrophobicContact CG2-CZ2 4.23Å; W88-D92 VanDerWaalsContact CZ3-O 3.25Å; W88-D92 WeakPolarHBondContact CZ3-O 3.47Å; W88-E93 CarbonylContact C-O 3.44Å; W88-E93 WeakPolarHBondContact CA-O 3.35Å; W88-L94 HydrophobicContact CD2-CD1 4.14Å; W88-L94 HydrophobicContact CE3-CB 4.1Å; W88-L94 HydrophobicContact CE3-CD1 4.47Å; W88-L94 HydrophobicContact CH2-CB 4.04Å; W88-L94 HydrophobicContact CH2-CD1 4.34Å; W88-L94 HydrophobicContact CZ2-CD1 4.02Å; W88-L94 HydrophobicContact CZ3-CB 3.78Å; W88-L108 HydrophobicContact CH2-CD2 4.13Å; W88-L108 HydrophobicContact CZ3-CD2 4.08Å; W88-H134 PolarHBondContact O-NE2 2.82Å |
| 89 | S | 93.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | trans | -74.5 | 167 | 170.7 | 85.8 | 0 | 0 | 0 | 0 | 111.6 | N91 D92 E93 T139 | S89-N91 PolarHBondContact O-N 3.22Å; S89-N91 PolarHBondContact OG-N 3.25Å; S89-N91 VanDerWaalsContact OG-N 3.16Å; S89-D92 PolarHBondContact O-N 3.06Å; S89-E93 PolarHBondContact N-O 3.32Å; S89-E93 WeakPolarHBondContact OG-CB 3.45Å; S89-E93 PolarHBondContact OG-N 2.78Å; S89-E93 VanDerWaalsContact OG-N 3.11Å; S89-E93 PolarHBondContact OG-OE2 3.24Å; S89-T139 VanDerWaalsContact CA-OG1 3.23Å; S89-T139 WeakPolarHBondContact CA-OG1 3.46Å | ||
| 90 | V | 88 | Confident | 93.7 | Very high | 55 Ų | 55 | 29.2 Ų | 29.2 | 33% | 0.333 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.5 | 172.3 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | H134 T139 | V90-H134 HydrophobicContact CG1-CB 4.12Å; V90-H134 VanDerWaalsContact CG1-CD2 3.5Å; V90-H134 WeakPolarHBondContact CG1-CD2 3.41Å; V90-T139 PolarHBondContact N-OG1 2.84Å |
| 91 | N | 86.3 | Confident | 93.8 | Very high | 97 Ų | 97 | 26.8 Ų | 26.8 | 52% | 0.519 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 17.8 | -179 | -61.2 | -33.5 | 0 | 0 | 0 | 112.8 | S89 E93 Y457 | S89-N91 PolarHBondContact O-N 3.22Å; S89-N91 PolarHBondContact OG-N 3.25Å; S89-N91 VanDerWaalsContact OG-N 3.16Å; N91-E93 VanDerWaalsContact C-N 3.27Å; N91-E93 HydrophobicContact CB-CG 4.38Å; N91-E93 PolarHBondContact O-N 2.76Å; N91-Y457 WeakPolarHBondContact O-CE1 3.36Å |
| 92 | D | 89.6 | Confident | 94.2 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 58.3 | 33.5 | -176.8 | -67 | -4.2 | 0 | 0 | 0 | 113.2 | P45 W88 S89 R454 Y457 R458 | P45-D92 HydrophobicContact CG-CB 4.43Å; W88-D92 VanDerWaalsContact CZ3-O 3.25Å; W88-D92 WeakPolarHBondContact CZ3-O 3.47Å; S89-D92 PolarHBondContact O-N 3.06Å; D92-R454 IonicContact OD1-CZ 3.68Å; D92-R454 IonicContact OD1-NH2 2.67Å; D92-Y457 HydrophobicContact CB-CD1 4.25Å; D92-Y457 HydrophobicContact CB-CE1 4.12Å; D92-R458 IonicContact OD2-CZ 3.11Å; D92-R458 IonicContact OD2-NE 2.6Å; D92-R458 IonicContact OD2-NH2 2.73Å; D92-R458 PolarHBondContact OD2-NH2 3.38Å; D92-R458 VanDerWaalsContact OD2-NH2 3.07Å |
| 93 | E | 94.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 5% | 0.047 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -94.1 | 139 | 170.4 | -56 | 169.1 | 137.2 | 0 | 0 | 110.3 | W88 S89 N91 L95 I105 K113 | W88-E93 CarbonylContact C-O 3.44Å; W88-E93 WeakPolarHBondContact CA-O 3.35Å; S89-E93 PolarHBondContact N-O 3.32Å; S89-E93 WeakPolarHBondContact OG-CB 3.45Å; S89-E93 PolarHBondContact OG-N 2.78Å; S89-E93 VanDerWaalsContact OG-N 3.11Å; S89-E93 PolarHBondContact OG-OE2 3.24Å; N91-E93 VanDerWaalsContact C-N 3.27Å; N91-E93 HydrophobicContact CB-CG 4.38Å; N91-E93 PolarHBondContact O-N 2.76Å; E93-L95 WeakPolarHBondContact O-CD1 3.41Å; E93-I105 HydrophobicContact CB-CG2 3.9Å; E93-K113 WeakPolarHBondContact OE1-CD 3.4Å; E93-K113 WeakPolarHBondContact OE1-CE 3.35Å; E93-K113 IonicContact OE1-NZ 3.67Å; E93-K113 PolarHBondContact OE1-NZ 2.96Å |
| 94 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.3 | -178 | -178.5 | 62.4 | 0 | 0 | 0 | 110.3 | A47 L63 I65 W88 I105 Y106 | A47-L94 HydrophobicContact CB-CD1 3.54Å; A47-L94 HydrophobicContact CB-CD2 3.91Å; A47-L94 HydrophobicContact CB-CG 4.4Å; L63-L94 HydrophobicContact CD1-CD2 4.31Å; L63-L94 HydrophobicContact CD2-CD2 3.66Å; L63-L94 HydrophobicContact CG-CD2 4.31Å; I65-L94 HydrophobicContact CD1-CD2 3.9Å; I65-L94 HydrophobicContact CG1-CD2 4.24Å; W88-L94 HydrophobicContact CD2-CD1 4.14Å; W88-L94 HydrophobicContact CE3-CB 4.1Å; W88-L94 HydrophobicContact CE3-CD1 4.47Å; W88-L94 HydrophobicContact CH2-CB 4.04Å; W88-L94 HydrophobicContact CH2-CD1 4.34Å; W88-L94 HydrophobicContact CZ2-CD1 4.02Å; W88-L94 HydrophobicContact CZ3-CB 3.78Å; L94-I105 WeakPolarHBondContact O-CA 3.42Å; L94-Y106 PolarHBondContact N-O 3.37Å; L94-Y106 PolarHBondContact O-N 2.83Å |
| 95 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.6 | 172.4 | -72.1 | 76.1 | 0 | 0 | 0 | 109.3 | L86 G87 E93 V103 L104 I105 V132 T139 V141 I156 | L86-L95 WeakPolarHBondContact CA-O 3.29Å; G87-L95 PolarHBondContact N-O 3.09Å; G87-L95 PolarHBondContact O-N 2.75Å; E93-L95 WeakPolarHBondContact O-CD1 3.41Å; L95-V103 HydrophobicContact CB-CG1 4.28Å; L95-V103 HydrophobicContact CD2-CG1 4.24Å; L95-V103 HydrophobicContact CG-CG1 4.4Å; L95-L104 WeakPolarHBondContact CA-O 3.32Å; L95-I105 HydrophobicContact CG-CG1 4.45Å; L95-V132 HydrophobicContact CB-CG2 4.41Å; L95-V132 HydrophobicContact CD2-CG2 4.15Å; L95-T139 HydrophobicContact CD2-CG2 4.33Å; L95-V141 HydrophobicContact CD2-CG2 3.62Å; L95-I156 HydrophobicContact CD1-CD1 4.24Å; L95-I156 HydrophobicContact CD2-CD1 4.16Å; L95-I156 HydrophobicContact CD2-CG2 4.16Å |
| 96 | C | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 109.1 | 171.6 | -54 | 0 | 0 | 0 | 0 | 108.9 | W78 V83 L86 V103 L104 | W78-C96 HydrophobicContact CH2-CB 3.47Å; W78-C96 VanDerWaalsContact CH2-CB 3.47Å; W78-C96 HydrophobicContact CZ2-CB 4.18Å; W78-C96 HydrophobicContact CZ3-CB 4.16Å; V83-C96 HydrophobicContact CG1-CB 4.39Å; V83-C96 HydrophobicContact CG2-CB 4.43Å; L86-C96 HydrophobicContact CD2-CB 4.12Å; L86-C96 VanDerWaalsContact CD2-SG 3.57Å; C96-V103 WeakPolarHBondContact O-CA 3.04Å; C96-L104 HydrophobicContact CB-CB 4.39Å; C96-L104 PolarHBondContact N-O 3.44Å; C96-L104 PolarHBondContact O-N 3.11Å |
| 97 | V | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.8 | 178.6 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | V83 V84 Y85 V103 V127 A130 V141 I143 | V83-V97 CarbonylContact C-O 3.52Å; V84-V97 PolarHBondContact N-O 3.19Å; Y85-V97 PolarHBondContact N-O 3.11Å; Y85-V97 PolarHBondContact O-N 3.37Å; V97-V103 HydrophobicContact CG1-CG2 4.29Å; V97-V103 HydrophobicContact CG2-CG1 4.32Å; V97-V103 HydrophobicContact CG2-CG2 4.19Å; V97-V127 HydrophobicContact CG1-CG1 4.45Å; V97-A130 HydrophobicContact CB-CB 4.17Å; V97-A130 HydrophobicContact CG1-CB 3.81Å; V97-A130 HydrophobicContact CG2-CB 4.26Å; V97-V141 HydrophobicContact CG2-CG1 4.2Å; V97-I143 HydrophobicContact CG1-CG2 4.26Å |
| 98 | Q | 95.7 | Very high | 94.4 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 161.6 | -176.5 | -57.4 | -170.1 | -66.5 | 0 | 0 | 112.6 | S80 G81 P82 D100 G101 T102 L104 V127 | S80-Q98 PolarHBondContact OG-NE2 3Å; S80-Q98 PolarHBondContact OG-OE1 2.91Å; G81-Q98 PolarHBondContact O-NE2 2.89Å; P82-Q98 WeakPolarHBondContact O-CA 3.19Å; P82-Q98 WeakPolarHBondContact O-CB 3.24Å; Q98-D100 VanDerWaalsContact C-N 3.26Å; Q98-D100 VanDerWaalsContact CB-OD1 3.29Å; Q98-D100 WeakPolarHBondContact CB-OD1 3.37Å; Q98-D100 PolarHBondContact O-N 3.28Å; Q98-G101 PolarHBondContact O-N 2.87Å; Q98-G101 VanDerWaalsContact O-N 3.1Å; Q98-T102 WeakPolarHBondContact CB-O 3.27Å; Q98-T102 WeakPolarHBondContact CG-O 3.37Å; Q98-T102 PolarHBondContact N-O 3.48Å; Q98-L104 HydrophobicContact CG-CD1 4.37Å; Q98-V127 WeakPolarHBondContact O-CG2 3.49Å |
| 99 | E | 94.7 | Very high | 94.3 | Very high | 83 Ų | 83 | 22.6 Ų | 22.6 | 39% | 0.388 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -33.6 | 178.5 | -70.7 | -178.6 | 166.9 | 0 | 0 | 112.4 | P82 V84 G101 Q126 V127 | P82-E99 HydrophobicContact CB-CG 4.01Å; P82-E99 PolarHBondContact O-N 2.61Å; P82-E99 VanDerWaalsContact O-N 3.11Å; V84-E99 HydrophobicContact CG2-CB 4.11Å; V84-E99 HydrophobicContact CG2-CG 3.34Å; E99-G101 PolarHBondContact O-N 3.1Å; E99-Q126 CarbonylContact O-C 3.6Å; E99-Q126 VanDerWaalsContact O-CA 3.24Å; E99-Q126 WeakPolarHBondContact O-CA 3.45Å; E99-Q126 PolarHBondContact O-OE1 2.8Å; E99-Q126 VanDerWaalsContact O-OE1 3.06Å; E99-V127 PolarHBondContact O-N 3.06Å |
| 100 | D | 93.8 | Very high | 94.1 | Very high | 56 Ų | 56 | 23.3 Ų | 23.3 | 30% | 0.299 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.2 | 178.5 | 71.5 | -14.2 | 0 | 0 | 0 | 114 | Q98 T102 | Q98-D100 VanDerWaalsContact C-N 3.26Å; Q98-D100 VanDerWaalsContact CB-OD1 3.29Å; Q98-D100 WeakPolarHBondContact CB-OD1 3.37Å; Q98-D100 PolarHBondContact O-N 3.28Å; D100-T102 WeakPolarHBondContact OD1-CB 3.25Å; D100-T102 PolarHBondContact OD1-N 3.01Å; D100-T102 PolarHBondContact OD1-OG1 3.22Å; D100-T102 VanDerWaalsContact OD1-OG1 3.1Å; D100-T102 PolarHBondContact OD2-OG1 3.1Å |
| 101 | G | 93.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 87.2 | 3.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q98 E99 M118 | Q98-G101 PolarHBondContact O-N 2.87Å; Q98-G101 VanDerWaalsContact O-N 3.1Å; E99-G101 PolarHBondContact O-N 3.1Å; G101-M118 WeakPolarHBondContact O-CB 3.5Å; G101-M118 WeakPolarHBondContact O-CG 3.49Å; G101-M118 PolarHBondContact O-N 3.34Å |
| 102 | T | 96.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 23.9 Ų | 23.9 | 17% | 0.166 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 133.4 | 172 | -58 | 0 | 0 | 0 | 0 | 110.1 | Q98 D100 L104 | Q98-T102 WeakPolarHBondContact CB-O 3.27Å; Q98-T102 WeakPolarHBondContact CG-O 3.37Å; Q98-T102 PolarHBondContact N-O 3.48Å; D100-T102 WeakPolarHBondContact OD1-CB 3.25Å; D100-T102 PolarHBondContact OD1-N 3.01Å; D100-T102 PolarHBondContact OD1-OG1 3.22Å; D100-T102 VanDerWaalsContact OD1-OG1 3.1Å; D100-T102 PolarHBondContact OD2-OG1 3.1Å; T102-L104 HydrophobicContact CG2-CD2 4.13Å; T102-L104 HydrophobicContact CG2-CG 4.3Å |
| 103 | V | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.1 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | L95 C96 V97 H115 F116 M118 | L95-V103 HydrophobicContact CB-CG1 4.28Å; L95-V103 HydrophobicContact CD2-CG1 4.24Å; L95-V103 HydrophobicContact CG-CG1 4.4Å; C96-V103 WeakPolarHBondContact O-CA 3.04Å; V97-V103 HydrophobicContact CG1-CG2 4.29Å; V97-V103 HydrophobicContact CG2-CG1 4.32Å; V97-V103 HydrophobicContact CG2-CG2 4.19Å; V103-H115 CarbonylContact O-C 3.54Å; V103-H115 WeakPolarHBondContact O-CA 3.37Å; V103-H115 WeakPolarHBondContact O-CB 3.19Å; V103-F116 HydrophobicContact CB-CD1 4.18Å; V103-F116 HydrophobicContact CB-CD2 4.26Å; V103-F116 HydrophobicContact CB-CE1 3.76Å; V103-F116 HydrophobicContact CB-CE2 3.86Å; V103-F116 HydrophobicContact CB-CG 4.41Å; V103-F116 HydrophobicContact CB-CZ 3.59Å; V103-F116 HydrophobicContact CG1-CE1 3.73Å; V103-F116 HydrophobicContact CG1-CE2 4.43Å; V103-F116 HydrophobicContact CG1-CZ 3.68Å; V103-F116 HydrophobicContact CG2-CD2 4.35Å; V103-F116 HydrophobicContact CG2-CE1 4.48Å; V103-F116 HydrophobicContact CG2-CE2 3.74Å; V103-F116 HydrophobicContact CG2-CZ 3.82Å; V103-F116 PolarHBondContact N-O 3.21Å; V103-F116 PolarHBondContact O-N 2.74Å; V103-M118 HydrophobicContact CG2-CG 3.99Å; V103-M118 HydrophobicContact CG2-SD 4.37Å |
| 104 | L | 97.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 32 Ų | 32 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 133 | 179.3 | -59.9 | 165.1 | 0 | 0 | 0 | 109.4 | W78 S80 L95 C96 Q98 T102 Y106 F112 H115 | W78-L104 HydrophobicContact CH2-CB 4.45Å; W78-L104 HydrophobicContact CH2-CD1 3.51Å; W78-L104 HydrophobicContact CZ2-CD1 3.68Å; S80-L104 WeakPolarHBondContact OG-CD1 3.42Å; L95-L104 WeakPolarHBondContact CA-O 3.32Å; C96-L104 HydrophobicContact CB-CB 4.39Å; C96-L104 PolarHBondContact N-O 3.44Å; C96-L104 PolarHBondContact O-N 3.11Å; Q98-L104 HydrophobicContact CG-CD1 4.37Å; T102-L104 HydrophobicContact CG2-CD2 4.13Å; T102-L104 HydrophobicContact CG2-CG 4.3Å; L104-Y106 HydrophobicContact CB-CD2 4.36Å; L104-Y106 HydrophobicContact CB-CE2 3.65Å; L104-Y106 HydrophobicContact CD1-CE2 4.48Å; L104-F112 HydrophobicContact CB-CE2 4.49Å; L104-F112 HydrophobicContact CD2-CE2 3.73Å; L104-H115 HydrophobicContact CD2-CB 3.73Å |
| 105 | I | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124 | 179.9 | -50.5 | -177.7 | 0 | 0 | 0 | 109.8 | E93 L94 L95 K113 R114 F116 I156 | E93-I105 HydrophobicContact CB-CG2 3.9Å; L94-I105 WeakPolarHBondContact O-CA 3.42Å; L95-I105 HydrophobicContact CG-CG1 4.45Å; I105-K113 PolarHBondContact O-N 3.31Å; I105-R114 HydrophobicContact CB-CG 4.33Å; I105-R114 HydrophobicContact CD1-CG 3.94Å; I105-R114 HydrophobicContact CG1-CG 4.43Å; I105-R114 PolarHBondContact N-O 3.31Å; I105-F116 HydrophobicContact CD1-CD1 4.36Å; I105-F116 HydrophobicContact CD1-CE1 4.07Å; I105-I156 HydrophobicContact CD1-CD1 4.3Å |
| 106 | Y | 96 | Very high | 94.8 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 150.1 | 177.4 | -65.8 | -93.8 | 0 | 0 | 0 | 111.2 | F76 W78 L94 L104 S111 F112 | F76-Y106 HydrophobicContact CE2-CE1 4.18Å; F76-Y106 AromaticContact CZ-CD1 3.99Å; F76-Y106 HydrophobicContact CZ-CD1 3.99Å; F76-Y106 HydrophobicContact CZ-CE1 4.1Å; F76-Y106 HydrophobicContact CZ-CG 4.42Å; W78-Y106 AromaticContact CH2-CE2 3.86Å; W78-Y106 HydrophobicContact CH2-CE2 3.86Å; W78-Y106 HydrophobicContact CZ3-CD2 4.48Å; W78-Y106 AromaticContact CZ3-CE2 3.6Å; W78-Y106 HydrophobicContact CZ3-CE2 3.6Å; W78-Y106 AromaticContact CZ3-CZ 3.93Å; L94-Y106 PolarHBondContact N-O 3.37Å; L94-Y106 PolarHBondContact O-N 2.83Å; L104-Y106 HydrophobicContact CB-CD2 4.36Å; L104-Y106 HydrophobicContact CB-CE2 3.65Å; L104-Y106 HydrophobicContact CD1-CE2 4.48Å; Y106-S111 WeakPolarHBondContact CA-O 3.3Å; Y106-F112 HydrophobicContact CD1-CB 4.14Å; Y106-F112 HydrophobicContact CE1-CB 3.84Å; Y106-F112 HydrophobicContact CE1-CD2 4.12Å; Y106-F112 HydrophobicContact CE1-CG 4.5Å |
| 107 | D | 93.2 | Very high | 94.6 | Very high | 29 Ų | 29 | 40.4 Ų | 40.4 | 16% | 0.155 | 20% | 0.201 | C | C | . | . | trans | -77.6 | 172.2 | 166.4 | 72.3 | 17.5 | 0 | 0 | 0 | 112.1 | F109 G110 S111 K113 Y457 | D107-F109 PolarHBondContact O-N 2.85Å; D107-F109 VanDerWaalsContact O-N 3.1Å; D107-F109 WeakPolarHBondContact OD1-CA 3.29Å; D107-F109 PolarHBondContact OD1-N 2.87Å; D107-G110 PolarHBondContact O-N 3.34Å; D107-G110 VanDerWaalsContact O-N 3.11Å; D107-G110 PolarHBondContact OD1-N 2.8Å; D107-S111 PolarHBondContact N-O 3.37Å; D107-S111 PolarHBondContact OD1-N 2.77Å; D107-S111 PolarHBondContact OD1-OG 3.21Å; D107-S111 WeakPolarHBondContact OD2-CB 3.4Å; D107-S111 PolarHBondContact OD2-OG 3.28Å; D107-S111 VanDerWaalsContact OD2-OG 3.06Å; D107-K113 HydrophobicContact CB-CD 4.24Å; D107-K113 HydrophobicContact CB-CG 4.37Å; D107-Y457 VanDerWaalsContact CA-OH 3.31Å; D107-Y457 WeakPolarHBondContact CA-OH 3.34Å; D107-Y457 WeakPolarHBondContact CB-OH 3.44Å | ||
| 108 | L | 92.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24 | 176.4 | -81.4 | 171 | 0 | 0 | 0 | 114.7 | P45 I65 I73 T74 W88 Y457 R458 | P45-L108 HydrophobicContact CB-CD2 3.69Å; P45-L108 HydrophobicContact CG-CD2 3.62Å; I65-L108 HydrophobicContact CG2-CD2 4.34Å; I73-L108 HydrophobicContact CD1-CD2 4.46Å; I73-L108 VanDerWaalsContact CG2-O 3.29Å; I73-L108 WeakPolarHBondContact CG2-O 3.37Å; T74-L108 WeakPolarHBondContact CG2-O 3.35Å; W88-L108 HydrophobicContact CH2-CD2 4.13Å; W88-L108 HydrophobicContact CZ3-CD2 4.08Å; L108-Y457 HydrophobicContact CB-CE1 4.24Å; L108-Y457 HydrophobicContact CD1-CD1 3.27Å; L108-Y457 HydrophobicContact CD1-CE1 3.33Å; L108-Y457 HydrophobicContact CD1-CG 4.2Å; L108-Y457 HydrophobicContact CG-CD1 4.03Å; L108-Y457 HydrophobicContact CG-CE1 3.53Å; L108-Y457 PolarHBondContact N-OH 3.48Å; L108-R458 HydrophobicContact CD1-CG 3.65Å |
| 109 | F | 92.1 | Very high | 94.2 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 30% | 0.303 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1.7 | -175.6 | -56.9 | -74.2 | 0 | 0 | 0 | 112.4 | I73 T74 D107 Y457 Q459 | I73-F109 HydrophobicContact CG2-CD1 4.07Å; I73-F109 HydrophobicContact CG2-CE1 4.1Å; T74-F109 WeakPolarHBondContact CB-O 3.48Å; T74-F109 PolarHBondContact OG1-O 3.41Å; D107-F109 PolarHBondContact O-N 2.85Å; D107-F109 VanDerWaalsContact O-N 3.1Å; D107-F109 WeakPolarHBondContact OD1-CA 3.29Å; D107-F109 PolarHBondContact OD1-N 2.87Å; F109-Y457 WeakPolarHBondContact CE2-O 3.42Å; F109-Q459 HydrophobicContact CE1-CG 4.5Å; F109-Q459 HydrophobicContact CE2-CG 4.09Å; F109-Q459 HydrophobicContact CZ-CB 4.43Å; F109-Q459 HydrophobicContact CZ-CG 3.63Å |
| 110 | G | 90.7 | Very high | 93.8 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 86.5 | 11.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F76 D107 | F76-G110 VanDerWaalsContact CE1-CA 3.43Å; D107-G110 PolarHBondContact O-N 3.34Å; D107-G110 VanDerWaalsContact O-N 3.11Å; D107-G110 PolarHBondContact OD1-N 2.8Å |
| 111 | S | 91.4 | Very high | 93.3 | Very high | 62 Ų | 62 | 47 Ų | 47 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | trans | -77.6 | 127.4 | 172.6 | -37.9 | 0 | 0 | 0 | 0 | 109.7 | Y106 D107 K113 | Y106-S111 WeakPolarHBondContact CA-O 3.3Å; D107-S111 PolarHBondContact N-O 3.37Å; D107-S111 PolarHBondContact OD1-N 2.77Å; D107-S111 PolarHBondContact OD1-OG 3.21Å; D107-S111 WeakPolarHBondContact OD2-CB 3.4Å; D107-S111 PolarHBondContact OD2-OG 3.28Å; D107-S111 VanDerWaalsContact OD2-OG 3.06Å; S111-K113 PolarHBondContact O-N 2.84Å | ||
| 112 | F | 94.4 | Very high | 93 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 45% | 0.447 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 126 | 173.7 | 175.3 | -101.5 | 0 | 0 | 0 | 110.5 | L104 Y106 R114 H115 | L104-F112 HydrophobicContact CB-CE2 4.49Å; L104-F112 HydrophobicContact CD2-CE2 3.73Å; Y106-F112 HydrophobicContact CD1-CB 4.14Å; Y106-F112 HydrophobicContact CE1-CB 3.84Å; Y106-F112 HydrophobicContact CE1-CD2 4.12Å; Y106-F112 HydrophobicContact CE1-CG 4.5Å; F112-R114 VanDerWaalsContact CE2-O 3.32Å; F112-R114 WeakPolarHBondContact CE2-O 3.39Å; F112-H115 HydrophobicContact CE2-CB 4.07Å; F112-H115 HydrophobicContact CZ-CB 3.88Å; F112-H115 AromaticContact CZ-ND1 3.69Å |
| 113 | K | 93 | Very high | 92.6 | Very high | 108 Ų | 108 | 49 Ų | 49 | 47% | 0.47 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -59.6 | 177.6 | -62.7 | -166.9 | 77.3 | 178.2 | 0 | 111.6 | E93 I105 D107 S111 | E93-K113 WeakPolarHBondContact OE1-CD 3.4Å; E93-K113 WeakPolarHBondContact OE1-CE 3.35Å; E93-K113 IonicContact OE1-NZ 3.67Å; E93-K113 PolarHBondContact OE1-NZ 2.96Å; I105-K113 PolarHBondContact O-N 3.31Å; D107-K113 HydrophobicContact CB-CD 4.24Å; D107-K113 HydrophobicContact CB-CG 4.37Å; S111-K113 PolarHBondContact O-N 2.84Å |
| 114 | R | 95.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 28% | 0.275 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 171.3 | -175.4 | 63.3 | -173.3 | 178 | 97.5 | -5.2 | 110.8 | I105 F112 I156 E157 | I105-R114 HydrophobicContact CB-CG 4.33Å; I105-R114 HydrophobicContact CD1-CG 3.94Å; I105-R114 HydrophobicContact CG1-CG 4.43Å; I105-R114 PolarHBondContact N-O 3.31Å; F112-R114 VanDerWaalsContact CE2-O 3.32Å; F112-R114 WeakPolarHBondContact CE2-O 3.39Å; R114-I156 VanDerWaalsContact CZ-O 3.29Å; R114-I156 PolarHBondContact NH1-O 2.81Å; R114-I156 PolarHBondContact NH2-O 3.03Å; R114-E157 IonicContact CZ-OE1 3.7Å; R114-E157 IonicContact NH2-OE1 3.03Å; R114-E157 PolarHBondContact NH2-OE1 2.89Å; R114-E157 IonicContact NH2-OE2 2.91Å; R114-E157 PolarHBondContact NH2-OE2 2.83Å |
| 115 | H | 95.7 | Very high | 91.7 | Very high | 119 Ų | 119 | 58.4 Ų | 58.4 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140 | 161.7 | 173.5 | 71.4 | -76.6 | 0 | 0 | 0 | 110.6 | V103 L104 F112 | V103-H115 CarbonylContact O-C 3.54Å; V103-H115 WeakPolarHBondContact O-CA 3.37Å; V103-H115 WeakPolarHBondContact O-CB 3.19Å; L104-H115 HydrophobicContact CD2-CB 3.73Å; F112-H115 HydrophobicContact CE2-CB 4.07Å; F112-H115 HydrophobicContact CZ-CB 3.88Å; F112-H115 AromaticContact CZ-ND1 3.69Å |
| 116 | F | 96.2 | Very high | 91.5 | Very high | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.057 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 163.8 | 168.6 | 63.7 | -89.3 | 0 | 0 | 0 | 110.5 | V103 I105 M118 V141 I156 L159 | V103-F116 HydrophobicContact CB-CD1 4.18Å; V103-F116 HydrophobicContact CB-CD2 4.26Å; V103-F116 HydrophobicContact CB-CE1 3.76Å; V103-F116 HydrophobicContact CB-CE2 3.86Å; V103-F116 HydrophobicContact CB-CG 4.41Å; V103-F116 HydrophobicContact CB-CZ 3.59Å; V103-F116 HydrophobicContact CG1-CE1 3.73Å; V103-F116 HydrophobicContact CG1-CE2 4.43Å; V103-F116 HydrophobicContact CG1-CZ 3.68Å; V103-F116 HydrophobicContact CG2-CD2 4.35Å; V103-F116 HydrophobicContact CG2-CE1 4.48Å; V103-F116 HydrophobicContact CG2-CE2 3.74Å; V103-F116 HydrophobicContact CG2-CZ 3.82Å; V103-F116 PolarHBondContact N-O 3.21Å; V103-F116 PolarHBondContact O-N 2.74Å; I105-F116 HydrophobicContact CD1-CD1 4.36Å; I105-F116 HydrophobicContact CD1-CE1 4.07Å; F116-M118 HydrophobicContact CD2-SD 4.39Å; F116-M118 HydrophobicContact CE2-SD 3.7Å; F116-V141 HydrophobicContact CZ-CG2 4.22Å; F116-I156 HydrophobicContact CE1-CB 4.22Å; F116-I156 HydrophobicContact CE1-CG2 3.98Å; F116-I156 HydrophobicContact CZ-CB 4.47Å; F116-I156 HydrophobicContact CZ-CG2 3.8Å; F116-L159 HydrophobicContact CB-CD2 3.55Å; F116-L159 HydrophobicContact CD2-CD1 3.49Å; F116-L159 VanDerWaalsContact CD2-CD1 3.49Å; F116-L159 HydrophobicContact CD2-CD2 3.84Å; F116-L159 HydrophobicContact CD2-CG 4.33Å; F116-L159 HydrophobicContact CE2-CD1 3.64Å; F116-L159 HydrophobicContact CG-CD1 4Å; F116-L159 HydrophobicContact CG-CD2 3.86Å; F116-L159 HydrophobicContact CZ-CD1 4.26Å |
| 117 | S | 94.7 | Very high | 91.5 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.3 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | G119 L161 | S117-G119 PolarHBondContact O-N 2.86Å; S117-G119 PolarHBondContact OG-N 2.88Å; S117-G119 VanDerWaalsContact OG-N 3.17Å; S117-L161 WeakPolarHBondContact O-CD1 3.23Å |
| 118 | M | 94.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -81.2 | 7.4 | 172.8 | -65.7 | -61.9 | -71.3 | 0 | 0 | 113.6 | G101 V103 F116 V122 V141 I143 T151 A153 L161 | G101-M118 WeakPolarHBondContact O-CB 3.5Å; G101-M118 WeakPolarHBondContact O-CG 3.49Å; G101-M118 PolarHBondContact O-N 3.34Å; V103-M118 HydrophobicContact CG2-CG 3.99Å; V103-M118 HydrophobicContact CG2-SD 4.37Å; F116-M118 HydrophobicContact CD2-SD 4.39Å; F116-M118 HydrophobicContact CE2-SD 3.7Å; M118-V122 HydrophobicContact CB-CG2 4.23Å; M118-V141 HydrophobicContact CE-CG1 4.38Å; M118-V141 HydrophobicContact SD-CG1 4.41Å; M118-I143 HydrophobicContact CB-CD1 3.46Å; M118-I143 VanDerWaalsContact CB-CD1 3.46Å; M118-I143 HydrophobicContact CB-CG1 4.34Å; M118-I143 HydrophobicContact CE-CD1 4.23Å; M118-I143 HydrophobicContact CE-CG1 3.8Å; M118-I143 HydrophobicContact CE-CG2 4.1Å; M118-I143 HydrophobicContact CG-CD1 3.95Å; M118-I143 HydrophobicContact CG-CG1 4.46Å; M118-I143 HydrophobicContact CG-CG2 4.27Å; M118-T151 HydrophobicContact CE-CG2 4.21Å; M118-A153 HydrophobicContact CE-CB 4.4Å; M118-A153 HydrophobicContact SD-CB 4.38Å; M118-L161 HydrophobicContact CE-CD2 4.35Å; M118-L161 HydrophobicContact SD-CD2 3.96Å |
| 119 | G | 90.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 64.7 Ų | 64.7 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | trans | 119.4 | 153 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S117 E121 V122 | S117-G119 PolarHBondContact O-N 2.86Å; S117-G119 PolarHBondContact OG-N 2.88Å; S117-G119 VanDerWaalsContact OG-N 3.17Å; G119-E121 VanDerWaalsContact C-N 3.33Å; G119-E121 PolarHBondContact O-N 2.97Å; G119-V122 WeakPolarHBondContact O-CB 3.3Å; G119-V122 PolarHBondContact O-N 3.44Å; G119-V122 VanDerWaalsContact O-N 3.16Å | ||
| 120 | Q | 86.3 | Confident | 91.7 | Very high | 159 Ų | 159 | 61.7 Ų | 61.7 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.1 | -31.6 | -173.3 | -67.6 | -65.8 | -21.4 | 0 | 0 | 113.9 | V122 V123 | Q120-V122 PolarHBondContact O-N 3.4Å; Q120-V123 WeakPolarHBondContact O-CB 3.32Å; Q120-V123 PolarHBondContact O-N 3.09Å |
| 121 | E | 82.1 | Confident | 92 | Very high | 99 Ų | 99 | 63.7 Ų | 63.7 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.9 | -23.3 | 177.8 | -68.1 | 177.2 | -157.1 | 0 | 0 | 113 | G119 V123 Q124 S125 R163 | G119-E121 VanDerWaalsContact C-N 3.33Å; G119-E121 PolarHBondContact O-N 2.97Å; E121-V123 VanDerWaalsContact C-N 3.26Å; E121-V123 PolarHBondContact O-N 2.92Å; E121-Q124 PolarHBondContact O-N 2.79Å; E121-S125 PolarHBondContact O-N 2.97Å; E121-S125 PolarHBondContact O-OG 3.33Å; E121-R163 IonicContact OE1-CZ 3.35Å; E121-R163 VanDerWaalsContact OE1-CZ 3.29Å; E121-R163 IonicContact OE1-NH1 2.8Å; E121-R163 PolarHBondContact OE1-NH1 3Å; E121-R163 IonicContact OE1-NH2 3.34Å; E121-R163 PolarHBondContact OE1-NH2 2.95Å; E121-R163 IonicContact OE2-CZ 2.76Å; E121-R163 IonicContact OE2-NE 2.73Å; E121-R163 IonicContact OE2-NH1 2.95Å; E121-R163 PolarHBondContact OE2-NH1 2.86Å; E121-R163 IonicContact OE2-NH2 3.31Å; E121-R163 PolarHBondContact OE2-NH2 2.67Å |
| 122 | V | 88.6 | Confident | 92.2 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.8 | -30.1 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | M118 G119 Q120 Q124 S125 Q126 V127 I143 T145 | M118-V122 HydrophobicContact CB-CG2 4.23Å; G119-V122 WeakPolarHBondContact O-CB 3.3Å; G119-V122 PolarHBondContact O-N 3.44Å; G119-V122 VanDerWaalsContact O-N 3.16Å; Q120-V122 PolarHBondContact O-N 3.4Å; V122-Q124 PolarHBondContact O-N 2.83Å; V122-S125 PolarHBondContact O-N 2.67Å; V122-Q126 WeakPolarHBondContact O-CA 3.14Å; V122-Q126 PolarHBondContact O-N 2.95Å; V122-V127 HydrophobicContact CG1-CG2 3.42Å; V122-V127 VanDerWaalsContact CG1-CG2 3.42Å; V122-I143 HydrophobicContact CB-CD1 4.47Å; V122-I143 HydrophobicContact CG1-CD1 3.89Å; V122-I143 HydrophobicContact CG2-CD1 3.7Å; V122-T145 HydrophobicContact CB-CG2 4.44Å; V122-T145 HydrophobicContact CG1-CG2 4.09Å; V122-T145 HydrophobicContact CG2-CG2 4.08Å |
| 123 | V | 87.4 | Confident | 92.1 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -32.3 | 177.5 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | Q120 E121 Q126 | Q120-V123 WeakPolarHBondContact O-CB 3.32Å; Q120-V123 PolarHBondContact O-N 3.09Å; E121-V123 VanDerWaalsContact C-N 3.26Å; E121-V123 PolarHBondContact O-N 2.92Å; V123-Q126 PolarHBondContact O-NE2 2.86Å |
| 124 | Q | 86.6 | Confident | 92 | Very high | 180 Ų | 180 | 54.5 Ų | 54.5 | 84% | 0.841 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -86.3 | -40.6 | 178.5 | -65.1 | -179.5 | -1 | 0 | 0 | 112.6 | E121 V122 | E121-Q124 PolarHBondContact O-N 2.79Å; V122-Q124 PolarHBondContact O-N 2.83Å |
| 125 | S | 89.4 | Confident | 91.6 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -89.6 | -14.7 | -173.7 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | E121 V122 T145 G146 | E121-S125 PolarHBondContact O-N 2.97Å; E121-S125 PolarHBondContact O-OG 3.33Å; V122-S125 PolarHBondContact O-N 2.67Å; S125-T145 WeakPolarHBondContact OG-CB 3.49Å; S125-G146 WeakPolarHBondContact O-CA 3.4Å; S125-G146 PolarHBondContact O-N 3.24Å; S125-G146 VanDerWaalsContact O-N 3.09Å |
| 126 | Q | 93 | Very high | 90.9 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | trans | 55.8 | 149.9 | -174.6 | -56.4 | -73.4 | -52.8 | 0 | 0 | 113.6 | E99 V122 V123 L128 T145 G146 | E99-Q126 CarbonylContact O-C 3.6Å; E99-Q126 VanDerWaalsContact O-CA 3.24Å; E99-Q126 WeakPolarHBondContact O-CA 3.45Å; E99-Q126 PolarHBondContact O-OE1 2.8Å; E99-Q126 VanDerWaalsContact O-OE1 3.06Å; V122-Q126 WeakPolarHBondContact O-CA 3.14Å; V122-Q126 PolarHBondContact O-N 2.95Å; V123-Q126 PolarHBondContact O-NE2 2.86Å; Q126-L128 PolarHBondContact O-N 3.11Å; Q126-T145 CarbonylContact O-C 3.56Å; Q126-T145 WeakPolarHBondContact O-CA 3.43Å; Q126-T145 VanDerWaalsContact O-CB 3.3Å; Q126-T145 WeakPolarHBondContact O-CB 3.32Å; Q126-G146 PolarHBondContact O-N 3.43Å | ||
| 127 | V | 94.3 | Very high | 90.2 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122.4 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | V84 V97 Q98 E99 V122 A130 I143 | V84-V127 HydrophobicContact CB-CG1 4.45Å; V84-V127 HydrophobicContact CG1-CG1 4.22Å; V84-V127 HydrophobicContact CG2-CB 4.34Å; V84-V127 HydrophobicContact CG2-CG1 4.44Å; V97-V127 HydrophobicContact CG1-CG1 4.45Å; Q98-V127 WeakPolarHBondContact O-CG2 3.49Å; E99-V127 PolarHBondContact O-N 3.06Å; V122-V127 HydrophobicContact CG1-CG2 3.42Å; V122-V127 VanDerWaalsContact CG1-CG2 3.42Å; V127-A130 HydrophobicContact CG1-CB 4.24Å; V127-I143 HydrophobicContact CG1-CB 4.13Å; V127-I143 HydrophobicContact CG1-CG2 4.07Å; V127-I143 HydrophobicContact CG2-CD1 3.96Å; V127-I143 HydrophobicContact CG2-CG2 4.42Å |
| 128 | L | 93.1 | Very high | 89.9 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -46.5 | 176.3 | -177.5 | 67.4 | 0 | 0 | 0 | 111.3 | Q126 V144 R173 | Q126-L128 PolarHBondContact O-N 3.11Å; L128-V144 HydrophobicContact CB-CG1 4.5Å; L128-V144 WeakPolarHBondContact CB-O 3.4Å; L128-V144 PolarHBondContact N-O 2.8Å; L128-R173 HydrophobicContact CD2-CB 3.77Å; L128-R173 HydrophobicContact CD2-CG 3.75Å |
| 129 | E | 93.7 | Very high | 89.9 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 153.1 | 173.6 | -64.1 | -179.1 | -167.9 | 0 | 0 | 110.3 | I143 V144 R173 W177 | E129-I143 WeakPolarHBondContact O-CA 3.4Å; E129-V144 HydrophobicContact CB-CG1 3.76Å; E129-V144 HydrophobicContact CG-CG1 4.5Å; E129-V144 PolarHBondContact N-O 2.78Å; E129-V144 PolarHBondContact O-N 2.98Å; E129-R173 IonicContact OE1-CZ 2.65Å; E129-R173 IonicContact OE1-NE 3.12Å; E129-R173 PolarHBondContact OE1-NE 2.88Å; E129-R173 IonicContact OE1-NH2 3.66Å; E129-R173 PolarHBondContact OE1-NH2 3.41Å; E129-W177 HydrophobicContact CB-CZ2 4.25Å; E129-W177 PolarHBondContact OE2-NE1 2.85Å |
| 130 | A | 95.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 154.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y85 V97 V127 A142 I143 | Y85-A130 HydrophobicContact CD1-CB 4.44Å; Y85-A130 VanDerWaalsContact CD2-O 3.25Å; Y85-A130 WeakPolarHBondContact CD2-O 3.29Å; Y85-A130 HydrophobicContact CG-CB 4.17Å; V97-A130 HydrophobicContact CB-CB 4.17Å; V97-A130 HydrophobicContact CG1-CB 3.81Å; V97-A130 HydrophobicContact CG2-CB 4.26Å; V127-A130 HydrophobicContact CG1-CB 4.24Å; A130-A142 CarbonylContact C-O 3.5Å; A130-A142 VanDerWaalsContact CA-O 3.3Å; A130-A142 WeakPolarHBondContact CA-O 3.02Å; A130-I143 HydrophobicContact CB-CG2 3.83Å |
| 131 | K | 95.7 | Very high | 90.7 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.4 | 172 | -66.1 | -171.8 | -173 | -155.2 | 0 | 110.1 | A142 W177 V179 | K131-A142 PolarHBondContact N-O 3.23Å; K131-A142 PolarHBondContact O-N 3.25Å; K131-W177 HydrophobicContact CB-CH2 3.73Å; K131-W177 HydrophobicContact CB-CZ2 4.34Å; K131-W177 HydrophobicContact CB-CZ3 4.27Å; K131-W177 HydrophobicContact CD-CD2 4.44Å; K131-W177 HydrophobicContact CD-CE3 4.24Å; K131-W177 HydrophobicContact CD-CH2 3.83Å; K131-W177 HydrophobicContact CD-CZ2 3.99Å; K131-W177 HydrophobicContact CD-CZ3 3.95Å; K131-W177 WeakPolarHBondContact CE-O 3.32Å; K131-W177 HydrophobicContact CG-CH2 3.54Å; K131-W177 HydrophobicContact CG-CZ2 3.68Å; K131-W177 HydrophobicContact CG-CZ3 4.15Å; K131-W177 PolarHBondContact NZ-O 3.17Å; K131-V179 HydrophobicContact CB-CG2 4.35Å |
| 132 | V | 95.8 | Very high | 91.4 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.6 | 166.4 | 177.1 | 0 | 0 | 0 | 0 | 107.8 | Y85 L95 T139 G140 V141 | Y85-V132 HydrophobicContact CD1-CG2 4.05Å; Y85-V132 HydrophobicContact CE1-CB 3.98Å; Y85-V132 HydrophobicContact CE1-CG2 3.76Å; L95-V132 HydrophobicContact CB-CG2 4.41Å; L95-V132 HydrophobicContact CD2-CG2 4.15Å; V132-T139 HydrophobicContact CG1-CG2 3.57Å; V132-G140 WeakPolarHBondContact CA-O 3.34Å; V132-V141 HydrophobicContact CG2-CG2 4.34Å |
| 133 | F | 93.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.2 | -178.6 | 66.1 | -88.4 | 0 | 0 | 0 | 110.7 | G140 A142 L152 V179 T186 | F133-G140 VanDerWaalsContact CE1-C 3.42Å; F133-G140 PolarHBondContact N-O 2.78Å; F133-G140 PolarHBondContact O-N 3.43Å; F133-A142 HydrophobicContact CD1-CB 4.46Å; F133-A142 HydrophobicContact CE1-CB 4.15Å; F133-L152 HydrophobicContact CE1-CD1 4.2Å; F133-L152 HydrophobicContact CE1-CG 4.34Å; F133-L152 HydrophobicContact CZ-CD1 4.21Å; F133-L152 HydrophobicContact CZ-CD2 4.23Å; F133-L152 HydrophobicContact CZ-CG 4.26Å; F133-V179 HydrophobicContact CB-CB 4.4Å; F133-V179 HydrophobicContact CB-CG1 4.32Å; F133-V179 HydrophobicContact CD1-CB 4.17Å; F133-V179 HydrophobicContact CD1-CG1 3.69Å; F133-V179 HydrophobicContact CD1-CG2 4.03Å; F133-V179 HydrophobicContact CD2-CG1 3.98Å; F133-V179 HydrophobicContact CE1-CG1 3.92Å; F133-V179 HydrophobicContact CE2-CG1 4.21Å; F133-V179 HydrophobicContact CG-CB 4.25Å; F133-V179 HydrophobicContact CG-CG1 3.72Å; F133-V179 HydrophobicContact CZ-CG1 4.18Å; F133-T186 HydrophobicContact CD2-CG2 4.46Å; F133-T186 HydrophobicContact CE1-CG2 4.4Å; F133-T186 HydrophobicContact CE2-CG2 3.66Å; F133-T186 HydrophobicContact CZ-CG2 3.63Å |
| 134 | H | 90.9 | Very high | 92.1 | Very high | 51 Ų | 51 | 38.8 Ų | 38.8 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.9 | -179 | -50.5 | 97.2 | 0 | 0 | 0 | 110 | W88 V90 Y228 | W88-H134 PolarHBondContact O-NE2 2.82Å; V90-H134 HydrophobicContact CG1-CB 4.12Å; V90-H134 VanDerWaalsContact CG1-CD2 3.5Å; V90-H134 WeakPolarHBondContact CG1-CD2 3.41Å; H134-Y228 PolarHBondContact N-OH 2.96Å; H134-Y228 WeakPolarHBondContact O-CE2 3.16Å; H134-Y228 VanDerWaalsContact O-CZ 3.24Å; H134-Y228 PolarHBondContact O-OH 3.16Å |
| 135 | S | 86.5 | Confident | 92.5 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 166.8 | 175.9 | 75.1 | 0 | 0 | 0 | 0 | 110.1 | Y137 G138 | S135-Y137 PolarHBondContact O-N 2.86Å; S135-Y137 PolarHBondContact OG-N 2.87Å; S135-G138 PolarHBondContact N-O 2.92Å; S135-G138 PolarHBondContact O-N 2.88Å; S135-G138 PolarHBondContact OG-N 2.89Å; S135-G138 PolarHBondContact OG-O 3Å |
| 136 | P | 81.1 | Confident | 92.5 | Very high | 119 Ų | 119 | 31 Ų | 31 | 77% | 0.773 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.6 | 170.2 | -25.4 | 35.5 | 0 | 0 | 0 | 114.2 | ||
| 137 | Y | 81.7 | Confident | 92.3 | Very high | 121 Ų | 121 | 30.1 Ų | 30.1 | 48% | 0.475 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -6.8 | 179.8 | -54.8 | -68.2 | 0 | 0 | 0 | 113.7 | S135 N155 R184 | S135-Y137 PolarHBondContact O-N 2.86Å; S135-Y137 PolarHBondContact OG-N 2.87Å; Y137-N155 PolarHBondContact O-ND2 3.12Å; Y137-R184 HydrophobicContact CE2-CB 4.12Å; Y137-R184 VanDerWaalsContact OH-CB 3.23Å; Y137-R184 WeakPolarHBondContact OH-CB 3.48Å; Y137-R184 WeakPolarHBondContact OH-CD 3.46Å; Y137-R184 WeakPolarHBondContact OH-CG 3.43Å |
| 138 | G | 88.6 | Confident | 92.1 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 16% | 0.155 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126.8 | -162 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S135 | S135-G138 PolarHBondContact N-O 2.92Å; S135-G138 PolarHBondContact O-N 2.88Å; S135-G138 PolarHBondContact OG-N 2.89Å; S135-G138 PolarHBondContact OG-O 3Å |
| 139 | T | 94.4 | Very high | 92 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.2 | -179.2 | -62.5 | 0 | 0 | 0 | 0 | 111 | S89 V90 L95 V132 N155 I156 | S89-T139 VanDerWaalsContact CA-OG1 3.23Å; S89-T139 WeakPolarHBondContact CA-OG1 3.46Å; V90-T139 PolarHBondContact N-OG1 2.84Å; L95-T139 HydrophobicContact CD2-CG2 4.33Å; V132-T139 HydrophobicContact CG1-CG2 3.57Å; T139-N155 CarbonylContact O-C 3.57Å; T139-N155 VanDerWaalsContact O-CA 3.27Å; T139-N155 WeakPolarHBondContact O-CA 3.4Å; T139-I156 HydrophobicContact CG2-CD1 4.02Å; T139-I156 PolarHBondContact O-N 2.83Å |
| 140 | G | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 162.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V132 F133 A153 | V132-G140 WeakPolarHBondContact CA-O 3.34Å; F133-G140 VanDerWaalsContact CE1-C 3.42Å; F133-G140 PolarHBondContact N-O 2.78Å; F133-G140 PolarHBondContact O-N 3.43Å; G140-A153 CarbonylContact C-O 3.6Å; G140-A153 WeakPolarHBondContact CA-O 3.47Å |
| 141 | V | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.7 | 177.5 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | L95 V97 F116 M118 V132 I143 A153 I156 | L95-V141 HydrophobicContact CD2-CG2 3.62Å; V97-V141 HydrophobicContact CG2-CG1 4.2Å; F116-V141 HydrophobicContact CZ-CG2 4.22Å; M118-V141 HydrophobicContact CE-CG1 4.38Å; M118-V141 HydrophobicContact SD-CG1 4.41Å; V132-V141 HydrophobicContact CG2-CG2 4.34Å; V141-I143 HydrophobicContact CG1-CG2 4.32Å; V141-A153 PolarHBondContact N-O 2.98Å; V141-A153 PolarHBondContact O-N 2.72Å; V141-I156 HydrophobicContact CG2-CG2 3.84Å |
| 142 | A | 96.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | A130 K131 F133 L152 W177 V179 | A130-A142 CarbonylContact C-O 3.5Å; A130-A142 VanDerWaalsContact CA-O 3.3Å; A130-A142 WeakPolarHBondContact CA-O 3.02Å; K131-A142 PolarHBondContact N-O 3.23Å; K131-A142 PolarHBondContact O-N 3.25Å; F133-A142 HydrophobicContact CD1-CB 4.46Å; F133-A142 HydrophobicContact CE1-CB 4.15Å; A142-L152 HydrophobicContact CB-CD1 4.01Å; A142-L152 HydrophobicContact CB-CG 4.42Å; A142-W177 HydrophobicContact CB-CH2 3.92Å; A142-W177 HydrophobicContact CB-CZ3 3.83Å; A142-V179 HydrophobicContact CB-CG2 3.63Å |
| 143 | I | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.1 | 175.9 | 63.3 | 163 | 0 | 0 | 0 | 110.7 | V97 M118 V122 V127 E129 A130 V141 T145 F150 T151 | V97-I143 HydrophobicContact CG1-CG2 4.26Å; M118-I143 HydrophobicContact CB-CD1 3.46Å; M118-I143 VanDerWaalsContact CB-CD1 3.46Å; M118-I143 HydrophobicContact CB-CG1 4.34Å; M118-I143 HydrophobicContact CE-CD1 4.23Å; M118-I143 HydrophobicContact CE-CG1 3.8Å; M118-I143 HydrophobicContact CE-CG2 4.1Å; M118-I143 HydrophobicContact CG-CD1 3.95Å; M118-I143 HydrophobicContact CG-CG1 4.46Å; M118-I143 HydrophobicContact CG-CG2 4.27Å; V122-I143 HydrophobicContact CB-CD1 4.47Å; V122-I143 HydrophobicContact CG1-CD1 3.89Å; V122-I143 HydrophobicContact CG2-CD1 3.7Å; V127-I143 HydrophobicContact CG1-CB 4.13Å; V127-I143 HydrophobicContact CG1-CG2 4.07Å; V127-I143 HydrophobicContact CG2-CD1 3.96Å; V127-I143 HydrophobicContact CG2-CG2 4.42Å; E129-I143 WeakPolarHBondContact O-CA 3.4Å; A130-I143 HydrophobicContact CB-CG2 3.83Å; V141-I143 HydrophobicContact CG1-CG2 4.32Å; I143-T145 HydrophobicContact CD1-CG2 4.34Å; I143-F150 WeakPolarHBondContact O-CA 3.35Å; I143-T151 PolarHBondContact N-O 2.91Å; I143-T151 PolarHBondContact O-N 3.38Å |
| 144 | V | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136 | 162.3 | 61.1 | 0 | 0 | 0 | 0 | 108.6 | L128 E129 R149 F150 P174 W177 | L128-V144 HydrophobicContact CB-CG1 4.5Å; L128-V144 WeakPolarHBondContact CB-O 3.4Å; L128-V144 PolarHBondContact N-O 2.8Å; E129-V144 HydrophobicContact CB-CG1 3.76Å; E129-V144 HydrophobicContact CG-CG1 4.5Å; E129-V144 PolarHBondContact N-O 2.78Å; E129-V144 PolarHBondContact O-N 2.98Å; V144-R149 WeakPolarHBondContact CA-O 3.29Å; V144-F150 HydrophobicContact CB-CD1 3.88Å; V144-F150 HydrophobicContact CB-CE1 3.65Å; V144-F150 HydrophobicContact CB-CG 4.45Å; V144-F150 HydrophobicContact CB-CZ 4.03Å; V144-F150 HydrophobicContact CG1-CE1 4.41Å; V144-F150 HydrophobicContact CG2-CD1 4.26Å; V144-F150 HydrophobicContact CG2-CD2 4.32Å; V144-F150 HydrophobicContact CG2-CE1 3.94Å; V144-F150 HydrophobicContact CG2-CE2 3.98Å; V144-F150 HydrophobicContact CG2-CG 4.45Å; V144-F150 HydrophobicContact CG2-CZ 3.78Å; V144-P174 HydrophobicContact CG2-CG 4.42Å; V144-W177 HydrophobicContact CG1-CZ2 4.32Å |
| 145 | T | 93.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 169.7 | -178.6 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | V122 S125 Q126 I143 S147 S148 R149 | V122-T145 HydrophobicContact CB-CG2 4.44Å; V122-T145 HydrophobicContact CG1-CG2 4.09Å; V122-T145 HydrophobicContact CG2-CG2 4.08Å; S125-T145 WeakPolarHBondContact OG-CB 3.49Å; Q126-T145 CarbonylContact O-C 3.56Å; Q126-T145 WeakPolarHBondContact O-CA 3.43Å; Q126-T145 VanDerWaalsContact O-CB 3.3Å; Q126-T145 WeakPolarHBondContact O-CB 3.32Å; I143-T145 HydrophobicContact CD1-CG2 4.34Å; T145-S147 PolarHBondContact O-N 2.93Å; T145-S147 VanDerWaalsContact O-N 3.11Å; T145-S147 PolarHBondContact OG1-N 3.15Å; T145-S147 PolarHBondContact OG1-OG 2.82Å; T145-S148 PolarHBondContact O-N 2.82Å; T145-R149 PolarHBondContact N-O 3.3Å; T145-R149 PolarHBondContact OG1-N 2.69Å; T145-R149 PolarHBondContact OG1-O 2.87Å |
| 146 | G | 89.7 | Confident | 92.2 | Very high | 43 Ų | 43 | 25.3 Ų | 25.3 | 44% | 0.443 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -19.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S125 Q126 S148 | S125-G146 WeakPolarHBondContact O-CA 3.4Å; S125-G146 PolarHBondContact O-N 3.24Å; S125-G146 VanDerWaalsContact O-N 3.09Å; Q126-G146 PolarHBondContact O-N 3.43Å; G146-S148 VanDerWaalsContact C-N 3.29Å |
| 147 | S | 88.8 | Confident | 92.7 | Very high | 57 Ų | 57 | 25 Ų | 25 | 40% | 0.399 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 12.8 | 172.7 | 67.9 | 0 | 0 | 0 | 0 | 114.2 | T145 R149 | T145-S147 PolarHBondContact O-N 2.93Å; T145-S147 VanDerWaalsContact O-N 3.11Å; T145-S147 PolarHBondContact OG1-N 3.15Å; T145-S147 PolarHBondContact OG1-OG 2.82Å; S147-R149 PolarHBondContact O-N 3.44Å; S147-R149 VanDerWaalsContact OG-CG 3.29Å; S147-R149 WeakPolarHBondContact OG-CG 3.3Å |
| 148 | S | 90.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 60.6 | 23.8 | -178.9 | -41.5 | 0 | 0 | 0 | 0 | 114 | T145 G146 G172 | T145-S148 PolarHBondContact O-N 2.82Å; G146-S148 VanDerWaalsContact C-N 3.29Å; S148-G172 PolarHBondContact OG-N 3.39Å; S148-G172 PolarHBondContact OG-O 3.19Å |
| 149 | R | 91 | Very high | 93.3 | Very high | 75 Ų | 75 | 25.8 Ų | 25.8 | 28% | 0.283 | 15% | 0.145 | S | C | . | . | trans | -94 | 130.4 | 177.8 | -61.7 | -69.4 | -176.1 | -124.5 | 4.3 | 111 | V144 T145 S147 E166 | V144-R149 WeakPolarHBondContact CA-O 3.29Å; T145-R149 PolarHBondContact N-O 3.3Å; T145-R149 PolarHBondContact OG1-N 2.69Å; T145-R149 PolarHBondContact OG1-O 2.87Å; S147-R149 PolarHBondContact O-N 3.44Å; S147-R149 VanDerWaalsContact OG-CG 3.29Å; S147-R149 WeakPolarHBondContact OG-CG 3.3Å; R149-E166 IonicContact CZ-OE1 2.82Å; R149-E166 IonicContact CZ-OE2 2.71Å; R149-E166 IonicContact NE-OE1 3.72Å; R149-E166 IonicContact NH1-OE1 2.84Å; R149-E166 PolarHBondContact NH1-OE1 2.73Å; R149-E166 IonicContact NH1-OE2 3.57Å; R149-E166 PolarHBondContact NH1-OE2 3.33Å; R149-E166 IonicContact NH2-OE1 3.29Å; R149-E166 PolarHBondContact NH2-OE1 3.24Å; R149-E166 IonicContact NH2-OE2 2.82Å; R149-E166 PolarHBondContact NH2-OE2 3.37Å | ||
| 150 | F | 94.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.6 | 175.7 | -70.5 | -91.9 | 0 | 0 | 0 | 111.5 | I143 V144 L164 L170 P174 W177 V188 V190 L199 | I143-F150 WeakPolarHBondContact O-CA 3.35Å; V144-F150 HydrophobicContact CB-CD1 3.88Å; V144-F150 HydrophobicContact CB-CE1 3.65Å; V144-F150 HydrophobicContact CB-CG 4.45Å; V144-F150 HydrophobicContact CB-CZ 4.03Å; V144-F150 HydrophobicContact CG1-CE1 4.41Å; V144-F150 HydrophobicContact CG2-CD1 4.26Å; V144-F150 HydrophobicContact CG2-CD2 4.32Å; V144-F150 HydrophobicContact CG2-CE1 3.94Å; V144-F150 HydrophobicContact CG2-CE2 3.98Å; V144-F150 HydrophobicContact CG2-CG 4.45Å; V144-F150 HydrophobicContact CG2-CZ 3.78Å; F150-L164 HydrophobicContact CB-CB 4.04Å; F150-L164 HydrophobicContact CB-CD1 3.97Å; F150-L164 HydrophobicContact CB-CG 4.26Å; F150-L164 PolarHBondContact O-N 3.37Å; F150-L170 HydrophobicContact CE2-CD2 4.37Å; F150-P174 HydrophobicContact CZ-CG 4.32Å; F150-W177 HydrophobicContact CD1-CE3 4.46Å; F150-W177 HydrophobicContact CE1-CB 4.25Å; F150-W177 AromaticContact CE1-CD2 3.77Å; F150-W177 HydrophobicContact CE1-CD2 3.77Å; F150-W177 AromaticContact CE1-CE3 3.9Å; F150-W177 HydrophobicContact CE1-CE3 3.9Å; F150-W177 AromaticContact CE1-CG 3.94Å; F150-W177 HydrophobicContact CE1-CG 3.94Å; F150-W177 HydrophobicContact CE1-CZ3 4.46Å; F150-W177 HydrophobicContact CZ-CB 4.31Å; F150-W177 HydrophobicContact CZ-CG 4.3Å; F150-V188 HydrophobicContact CD1-CG1 3.88Å; F150-V188 HydrophobicContact CE1-CG1 3.83Å; F150-V188 HydrophobicContact CZ-CG1 4.47Å; F150-V190 HydrophobicContact CD2-CG2 4.42Å; F150-V190 HydrophobicContact CE1-CG2 4.13Å; F150-V190 HydrophobicContact CE2-CG1 4.2Å; F150-V190 HydrophobicContact CE2-CG2 3.65Å; F150-V190 HydrophobicContact CZ-CB 4.43Å; F150-V190 HydrophobicContact CZ-CG1 4.04Å; F150-V190 HydrophobicContact CZ-CG2 3.48Å; F150-V190 VanDerWaalsContact CZ-CG2 3.48Å; F150-L199 HydrophobicContact CB-CD1 4.45Å; F150-L199 HydrophobicContact CD2-CD1 3.69Å; F150-L199 HydrophobicContact CE2-CD1 4.14Å; F150-L199 HydrophobicContact CG-CD1 4.12Å |
| 151 | T | 95.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 9% | 0.092 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.6 | 172.8 | -56.6 | 0 | 0 | 0 | 0 | 110 | M118 I143 L161 R162 | M118-T151 HydrophobicContact CE-CG2 4.21Å; I143-T151 PolarHBondContact N-O 2.91Å; I143-T151 PolarHBondContact O-N 3.38Å; T151-L161 HydrophobicContact CG2-CB 4.49Å; T151-R162 CarbonylContact C-O 3.6Å; T151-R162 WeakPolarHBondContact CA-O 3.4Å |
| 152 | L | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.3 | -172 | -166.8 | 135.3 | 0 | 0 | 0 | 111.6 | F133 A142 T154 L161 R162 T186 V188 | F133-L152 HydrophobicContact CE1-CD1 4.2Å; F133-L152 HydrophobicContact CE1-CG 4.34Å; F133-L152 HydrophobicContact CZ-CD1 4.21Å; F133-L152 HydrophobicContact CZ-CD2 4.23Å; F133-L152 HydrophobicContact CZ-CG 4.26Å; A142-L152 HydrophobicContact CB-CD1 4.01Å; A142-L152 HydrophobicContact CB-CG 4.42Å; L152-T154 HydrophobicContact CD2-CG2 3.27Å; L152-L161 CarbonylContact O-C 3.37Å; L152-L161 WeakPolarHBondContact O-CA 3.42Å; L152-R162 PolarHBondContact N-O 3.01Å; L152-R162 PolarHBondContact O-N 3.04Å; L152-T186 HydrophobicContact CD1-CG2 3.56Å; L152-T186 HydrophobicContact CD2-CG2 4.12Å; L152-T186 HydrophobicContact CG-CG2 4.45Å; L152-V188 HydrophobicContact CD1-CG2 4.08Å |
| 153 | A | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | M118 G140 V141 N155 L159 L161 | M118-A153 HydrophobicContact CE-CB 4.4Å; M118-A153 HydrophobicContact SD-CB 4.38Å; G140-A153 CarbonylContact C-O 3.6Å; G140-A153 WeakPolarHBondContact CA-O 3.47Å; V141-A153 PolarHBondContact N-O 2.98Å; V141-A153 PolarHBondContact O-N 2.72Å; A153-N155 VanDerWaalsContact C-N 3.29Å; A153-N155 PolarHBondContact O-N 2.81Å; A153-L159 HydrophobicContact CB-CD1 3.93Å; A153-L161 HydrophobicContact CB-CD2 4.06Å |
| 154 | T | 92 | Very high | 92.5 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -69.6 | -28.5 | -178.4 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | L152 | L152-T154 HydrophobicContact CD2-CG2 3.27Š|
| 155 | N | 93.2 | Very high | 92.5 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | trans | -146.9 | 130.2 | 179.1 | -170.4 | -13.5 | 0 | 0 | 0 | 109.5 | Y137 T139 A153 E157 D158 | Y137-N155 PolarHBondContact O-ND2 3.12Å; T139-N155 CarbonylContact O-C 3.57Å; T139-N155 VanDerWaalsContact O-CA 3.27Å; T139-N155 WeakPolarHBondContact O-CA 3.4Å; A153-N155 VanDerWaalsContact C-N 3.29Å; A153-N155 PolarHBondContact O-N 2.81Å; N155-E157 PolarHBondContact OD1-N 3.07Å; N155-D158 CarbonylContact O-C 3.24Å; N155-D158 VanDerWaalsContact O-O 3.1Å | ||
| 156 | I | 93.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -19.2 | 177.1 | 63 | 177 | 0 | 0 | 0 | 113.6 | L95 I105 R114 F116 T139 V141 | L95-I156 HydrophobicContact CD1-CD1 4.24Å; L95-I156 HydrophobicContact CD2-CD1 4.16Å; L95-I156 HydrophobicContact CD2-CG2 4.16Å; I105-I156 HydrophobicContact CD1-CD1 4.3Å; R114-I156 VanDerWaalsContact CZ-O 3.29Å; R114-I156 PolarHBondContact NH1-O 2.81Å; R114-I156 PolarHBondContact NH2-O 3.03Å; F116-I156 HydrophobicContact CE1-CB 4.22Å; F116-I156 HydrophobicContact CE1-CG2 3.98Å; F116-I156 HydrophobicContact CZ-CB 4.47Å; F116-I156 HydrophobicContact CZ-CG2 3.8Å; T139-I156 HydrophobicContact CG2-CD1 4.02Å; T139-I156 PolarHBondContact O-N 2.83Å; V141-I156 HydrophobicContact CG2-CG2 3.84Å |
| 157 | E | 91.8 | Very high | 92.3 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -40.6 | 176.1 | -64.5 | -57.5 | 139.2 | 0 | 0 | 111.7 | R114 N155 | R114-E157 IonicContact CZ-OE1 3.7Å; R114-E157 IonicContact NH2-OE1 3.03Å; R114-E157 PolarHBondContact NH2-OE1 2.89Å; R114-E157 IonicContact NH2-OE2 2.91Å; R114-E157 PolarHBondContact NH2-OE2 2.83Å; N155-E157 PolarHBondContact OD1-N 3.07Å |
| 158 | D | 90.9 | Very high | 92.2 | Very high | 84 Ų | 84 | 52.3 Ų | 52.3 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 78.3 | 170.9 | 178.7 | 26.5 | 0 | 0 | 0 | 109.3 | N155 K160 | N155-D158 CarbonylContact O-C 3.24Å; N155-D158 VanDerWaalsContact O-O 3.1Å; D158-K160 PolarHBondContact O-N 3.49Å; D158-K160 WeakPolarHBondContact OD1-CE 3.42Å; D158-K160 IonicContact OD1-NZ 3.68Å; D158-K160 PolarHBondContact OD1-NZ 2.66Å; D158-K160 WeakPolarHBondContact OD2-CE 3.32Å; D158-K160 IonicContact OD2-NZ 2.69Å; D158-K160 PolarHBondContact OD2-NZ 2.87Å |
| 159 | L | 91.3 | Very high | 91.8 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 104.6 | -171.2 | -173.6 | 72.8 | 0 | 0 | 0 | 111.6 | F116 A153 L161 | F116-L159 HydrophobicContact CB-CD2 3.55Å; F116-L159 HydrophobicContact CD2-CD1 3.49Å; F116-L159 VanDerWaalsContact CD2-CD1 3.49Å; F116-L159 HydrophobicContact CD2-CD2 3.84Å; F116-L159 HydrophobicContact CD2-CG 4.33Å; F116-L159 HydrophobicContact CE2-CD1 3.64Å; F116-L159 HydrophobicContact CG-CD1 4Å; F116-L159 HydrophobicContact CG-CD2 3.86Å; F116-L159 HydrophobicContact CZ-CD1 4.26Å; A153-L159 HydrophobicContact CB-CD1 3.93Å; L159-L161 HydrophobicContact CD1-CD2 4.07Å; L159-L161 HydrophobicContact CG-CD2 4.46Å |
| 160 | K | 91.8 | Very high | 91.5 | Very high | 104 Ų | 104 | 53 Ų | 53 | 45% | 0.452 | 28% | 0.279 | S | S | . | . | trans | -125.4 | 108.2 | 170.8 | -71.3 | 169.9 | -177.8 | 148.7 | 0 | 109.4 | D158 | D158-K160 PolarHBondContact O-N 3.49Å; D158-K160 WeakPolarHBondContact OD1-CE 3.42Å; D158-K160 IonicContact OD1-NZ 3.68Å; D158-K160 PolarHBondContact OD1-NZ 2.66Å; D158-K160 WeakPolarHBondContact OD2-CE 3.32Å; D158-K160 IonicContact OD2-NZ 2.69Å; D158-K160 PolarHBondContact OD2-NZ 2.87Å | ||
| 161 | L | 93.2 | Very high | 90.7 | Very high | 71 Ų | 71 | 61.6 Ų | 61.6 | 37% | 0.372 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.3 | 177.2 | -58.2 | 178.6 | 0 | 0 | 0 | 110.1 | S117 M118 T151 L152 A153 L159 | S117-L161 WeakPolarHBondContact O-CD1 3.23Å; M118-L161 HydrophobicContact CE-CD2 4.35Å; M118-L161 HydrophobicContact SD-CD2 3.96Å; T151-L161 HydrophobicContact CG2-CB 4.49Å; L152-L161 CarbonylContact O-C 3.37Å; L152-L161 WeakPolarHBondContact O-CA 3.42Å; A153-L161 HydrophobicContact CB-CD2 4.06Å; L159-L161 HydrophobicContact CD1-CD2 4.07Å; L159-L161 HydrophobicContact CG-CD2 4.46Å |
| 162 | R | 92 | Very high | 89.9 | Confident | 100 Ų | 100 | 62.5 Ų | 62.5 | 38% | 0.377 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.1 | 177.1 | -60 | -172.4 | -175.2 | -159.1 | -1.6 | 109.4 | T151 L152 N201 | T151-R162 CarbonylContact C-O 3.6Å; T151-R162 WeakPolarHBondContact CA-O 3.4Å; L152-R162 PolarHBondContact N-O 3.01Å; L152-R162 PolarHBondContact O-N 3.04Å; R162-N201 VanDerWaalsContact CD-OD1 3.26Å; R162-N201 WeakPolarHBondContact CD-OD1 3.43Å; R162-N201 VanDerWaalsContact NH1-CG 3.29Å; R162-N201 PolarHBondContact NH1-ND2 3.27Å; R162-N201 PolarHBondContact NH1-OD1 2.98Å; R162-N201 VanDerWaalsContact NH1-OD1 3.1Å |
| 163 | R | 92.3 | Very high | 89.3 | Confident | 139 Ų | 139 | 70.8 Ų | 70.8 | 53% | 0.525 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 130 | 170.3 | -172.2 | 175.8 | -58.9 | 178 | 7 | 108.4 | E121 | E121-R163 IonicContact OE1-CZ 3.35Å; E121-R163 VanDerWaalsContact OE1-CZ 3.29Å; E121-R163 IonicContact OE1-NH1 2.8Å; E121-R163 PolarHBondContact OE1-NH1 3Å; E121-R163 IonicContact OE1-NH2 3.34Å; E121-R163 PolarHBondContact OE1-NH2 2.95Å; E121-R163 IonicContact OE2-CZ 2.76Å; E121-R163 IonicContact OE2-NE 2.73Å; E121-R163 IonicContact OE2-NH1 2.95Å; E121-R163 PolarHBondContact OE2-NH1 2.86Å; E121-R163 IonicContact OE2-NH2 3.31Å; E121-R163 PolarHBondContact OE2-NH2 2.67Å |
| 164 | L | 93.9 | Very high | 89 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 155.3 | 175.4 | -56.9 | -178.8 | 0 | 0 | 0 | 110.4 | F150 V188 L199 D200 | F150-L164 HydrophobicContact CB-CB 4.04Å; F150-L164 HydrophobicContact CB-CD1 3.97Å; F150-L164 HydrophobicContact CB-CG 4.26Å; F150-L164 PolarHBondContact O-N 3.37Å; L164-V188 HydrophobicContact CD1-CB 3.71Å; L164-V188 HydrophobicContact CD1-CG2 3.38Å; L164-L199 HydrophobicContact CB-CB 4.25Å; L164-L199 HydrophobicContact CB-CD1 4.29Å; L164-L199 HydrophobicContact CD1-CB 4.01Å; L164-L199 HydrophobicContact CD1-CD1 4.39Å; L164-D200 WeakPolarHBondContact CD2-O 3.18Å |
| 165 | P | 93.5 | Very high | 88.8 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 154.6 | 176.2 | -25.2 | 35.7 | 0 | 0 | 0 | 112.8 | D200 C204 | P165-D200 WeakPolarHBondContact CD-O 3.45Å; P165-C204 HydrophobicContact CB-CB 4.06Å |
| 166 | E | 91.2 | Very high | 88.8 | Confident | 119 Ų | 119 | 71.5 Ų | 71.5 | 56% | 0.556 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 139.2 | 179.6 | -45.3 | -170.8 | 177.8 | 0 | 0 | 110.6 | R149 P168 | R149-E166 IonicContact CZ-OE1 2.82Å; R149-E166 IonicContact CZ-OE2 2.71Å; R149-E166 IonicContact NE-OE1 3.72Å; R149-E166 IonicContact NH1-OE1 2.84Å; R149-E166 PolarHBondContact NH1-OE1 2.73Å; R149-E166 IonicContact NH1-OE2 3.57Å; R149-E166 PolarHBondContact NH1-OE2 3.33Å; R149-E166 IonicContact NH2-OE1 3.29Å; R149-E166 PolarHBondContact NH2-OE1 3.24Å; R149-E166 IonicContact NH2-OE2 2.82Å; R149-E166 PolarHBondContact NH2-OE2 3.37Å; E166-P168 WeakPolarHBondContact O-CD 3.41Å |
| 167 | V | 89.6 | Confident | 88.8 | Confident | 11 Ų | 11 | 71.5 Ų | 71.5 | 7% | 0.067 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 122.7 | 173 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | G169 L170 V190 Y197 L199 | V167-G169 PolarHBondContact O-N 3.46Å; V167-L170 HydrophobicContact CB-CB 3.83Å; V167-L170 HydrophobicContact CB-CD2 3.95Å; V167-L170 HydrophobicContact CG1-CB 3.99Å; V167-L170 HydrophobicContact CG1-CD2 4.46Å; V167-L170 HydrophobicContact CG2-CD2 4.19Å; V167-L170 PolarHBondContact O-N 3.34Å; V167-V190 HydrophobicContact CG2-CB 4.34Å; V167-V190 HydrophobicContact CG2-CG1 4.36Å; V167-V190 HydrophobicContact CG2-CG2 4.41Å; V167-Y197 HydrophobicContact CG1-CD1 4.36Å; V167-Y197 HydrophobicContact CG1-CD2 3.66Å; V167-Y197 HydrophobicContact CG1-CE2 3.92Å; V167-Y197 HydrophobicContact CG1-CG 3.89Å; V167-L199 HydrophobicContact CG2-CD1 3.92Å; V167-L199 HydrophobicContact CG2-CD2 3.88Å; V167-L199 HydrophobicContact CG2-CG 4.25Å |
| 168 | P | 85.8 | Confident | 89 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 131.5 | 177.9 | -24.9 | 34.5 | 0 | 0 | 0 | 112.1 | E166 L170 | E166-P168 WeakPolarHBondContact O-CD 3.41Å; P168-L170 PolarHBondContact O-N 3.16Å; P168-L170 VanDerWaalsContact O-N 3.15Å |
| 169 | G | 81.8 | Confident | 89.2 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 78% | 0.784 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -2.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V167 Q171 | V167-G169 PolarHBondContact O-N 3.46Å; G169-Q171 PolarHBondContact O-N 2.85Å |
| 170 | L | 85 | Confident | 89.3 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | trans | -75.1 | 112.1 | 177.1 | -176.1 | 66.4 | 0 | 0 | 0 | 110.3 | F150 V167 P168 P174 V190 | F150-L170 HydrophobicContact CE2-CD2 4.37Å; V167-L170 HydrophobicContact CB-CB 3.83Å; V167-L170 HydrophobicContact CB-CD2 3.95Å; V167-L170 HydrophobicContact CG1-CB 3.99Å; V167-L170 HydrophobicContact CG1-CD2 4.46Å; V167-L170 HydrophobicContact CG2-CD2 4.19Å; V167-L170 PolarHBondContact O-N 3.34Å; P168-L170 PolarHBondContact O-N 3.16Å; P168-L170 VanDerWaalsContact O-N 3.15Å; L170-P174 HydrophobicContact CD1-CB 4.27Å; L170-P174 HydrophobicContact CD2-CB 4.4Å; L170-V190 HydrophobicContact CD2-CG1 4.31Å | ||
| 171 | Q | 78.1 | Confident | 89.2 | Confident | 183 Ų | 183 | 55.5 Ų | 55.5 | 86% | 0.855 | 30% | 0.295 | S | S | * | . | trans | -121.7 | 122.8 | 171.8 | -64.7 | -160 | -8.3 | 0 | 0 | 110.5 | G169 | G169-Q171 PolarHBondContact O-N 2.85Š| ||
| 172 | G | 77.2 | Confident | 88.8 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 83.9 | -146.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S148 | S148-G172 PolarHBondContact OG-N 3.39Å; S148-G172 PolarHBondContact OG-O 3.19Å |
| 173 | R | 82.6 | Confident | 88.3 | Confident | 174 Ų | 174 | 56 Ų | 56 | 66% | 0.657 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -72.3 | 128.4 | -174.2 | -172.9 | 170.9 | -177.7 | -176.9 | -0.8 | 110.9 | L128 E129 | L128-R173 HydrophobicContact CD2-CB 3.77Å; L128-R173 HydrophobicContact CD2-CG 3.75Å; E129-R173 IonicContact OE1-CZ 2.65Å; E129-R173 IonicContact OE1-NE 3.12Å; E129-R173 PolarHBondContact OE1-NE 2.88Å; E129-R173 IonicContact OE1-NH2 3.66Å; E129-R173 PolarHBondContact OE1-NH2 3.41Å |
| 174 | P | 87.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | trans | -62.6 | 146 | 171.7 | 27.6 | -34.1 | 0 | 0 | 0 | 110.9 | V144 F150 L170 C176 V190 | V144-P174 HydrophobicContact CG2-CG 4.42Å; F150-P174 HydrophobicContact CZ-CG 4.32Å; L170-P174 HydrophobicContact CD1-CB 4.27Å; L170-P174 HydrophobicContact CD2-CB 4.4Å; P174-C176 VanDerWaalsContact C-N 3.29Å; P174-C176 PolarHBondContact O-N 3.15Å; P174-V190 HydrophobicContact CB-CG1 3.92Å | ||
| 175 | S | 88.6 | Confident | 87.4 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -56.5 | -47.4 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | S191 I219 | S175-S191 PolarHBondContact N-O 3.34Å; S175-I219 WeakPolarHBondContact CB-O 3.3Å |
| 176 | C | 92.7 | Very high | 87.3 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 162.4 | 168 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | P174 S191 I219 V220 M222 | P174-C176 VanDerWaalsContact C-N 3.29Å; P174-C176 PolarHBondContact O-N 3.15Å; C176-S191 PolarHBondContact O-N 3.05Å; C176-I219 PolarHBondContact SG-O 3.1Å; C176-V220 WeakPolarHBondContact CB-O 3.46Å; C176-M222 HydrophobicContact CB-CG 4.5Å; C176-M222 VanDerWaalsContact SG-CG 3.53Å |
| 177 | W | 95.3 | Very high | 87.4 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 161.5 | 176.2 | 66.6 | -77.2 | 0 | 0 | 0 | 111.3 | E129 K131 A142 V144 F150 V179 V188 L189 V190 | E129-W177 HydrophobicContact CB-CZ2 4.25Å; E129-W177 PolarHBondContact OE2-NE1 2.85Å; K131-W177 HydrophobicContact CB-CH2 3.73Å; K131-W177 HydrophobicContact CB-CZ2 4.34Å; K131-W177 HydrophobicContact CB-CZ3 4.27Å; K131-W177 HydrophobicContact CD-CD2 4.44Å; K131-W177 HydrophobicContact CD-CE3 4.24Å; K131-W177 HydrophobicContact CD-CH2 3.83Å; K131-W177 HydrophobicContact CD-CZ2 3.99Å; K131-W177 HydrophobicContact CD-CZ3 3.95Å; K131-W177 WeakPolarHBondContact CE-O 3.32Å; K131-W177 HydrophobicContact CG-CH2 3.54Å; K131-W177 HydrophobicContact CG-CZ2 3.68Å; K131-W177 HydrophobicContact CG-CZ3 4.15Å; K131-W177 PolarHBondContact NZ-O 3.17Å; A142-W177 HydrophobicContact CB-CH2 3.92Å; A142-W177 HydrophobicContact CB-CZ3 3.83Å; V144-W177 HydrophobicContact CG1-CZ2 4.32Å; F150-W177 HydrophobicContact CD1-CE3 4.46Å; F150-W177 HydrophobicContact CE1-CB 4.25Å; F150-W177 AromaticContact CE1-CD2 3.77Å; F150-W177 HydrophobicContact CE1-CD2 3.77Å; F150-W177 AromaticContact CE1-CE3 3.9Å; F150-W177 HydrophobicContact CE1-CE3 3.9Å; F150-W177 AromaticContact CE1-CG 3.94Å; F150-W177 HydrophobicContact CE1-CG 3.94Å; F150-W177 HydrophobicContact CE1-CZ3 4.46Å; F150-W177 HydrophobicContact CZ-CB 4.31Å; F150-W177 HydrophobicContact CZ-CG 4.3Å; W177-V179 HydrophobicContact CE3-CG2 4.31Å; W177-V179 HydrophobicContact CH2-CG2 4.43Å; W177-V179 HydrophobicContact CZ3-CG2 3.58Å; W177-V188 HydrophobicContact CE3-CG1 3.77Å; W177-V188 HydrophobicContact CZ3-CG1 4.41Å; W177-L189 CarbonylContact C-O 3.58Å; W177-L189 WeakPolarHBondContact CA-O 3.2Å; W177-L189 WeakPolarHBondContact CB-O 3.09Å; W177-V190 HydrophobicContact CB-CG2 4.26Å |
| 178 | A | 95.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 151.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L189 M222 V224 | A178-L189 PolarHBondContact N-O 2.8Å; A178-L189 PolarHBondContact O-N 3.3Å; A178-M222 HydrophobicContact CB-CB 4.18Å; A178-V224 HydrophobicContact CB-CG2 3.89Å |
| 179 | V | 95 | Very high | 88.2 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134.3 | 173.1 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | K131 F133 A142 W177 T186 | K131-V179 HydrophobicContact CB-CG2 4.35Å; F133-V179 HydrophobicContact CB-CB 4.4Å; F133-V179 HydrophobicContact CB-CG1 4.32Å; F133-V179 HydrophobicContact CD1-CB 4.17Å; F133-V179 HydrophobicContact CD1-CG1 3.69Å; F133-V179 HydrophobicContact CD1-CG2 4.03Å; F133-V179 HydrophobicContact CD2-CG1 3.98Å; F133-V179 HydrophobicContact CE1-CG1 3.92Å; F133-V179 HydrophobicContact CE2-CG1 4.21Å; F133-V179 HydrophobicContact CG-CB 4.25Å; F133-V179 HydrophobicContact CG-CG1 3.72Å; F133-V179 HydrophobicContact CZ-CG1 4.18Å; A142-V179 HydrophobicContact CB-CG2 3.63Å; W177-V179 HydrophobicContact CE3-CG2 4.31Å; W177-V179 HydrophobicContact CH2-CG2 4.43Å; W177-V179 HydrophobicContact CZ3-CG2 3.58Å; V179-T186 HydrophobicContact CG1-CG2 3.46Å; V179-T186 VanDerWaalsContact CG1-CG2 3.46Å |
| 180 | L | 93.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.8 | 178.9 | 179.3 | 64.7 | 0 | 0 | 0 | 109.3 | Q182 T186 K187 L189 V224 Y228 | L180-Q182 HydrophobicContact CD1-CG 3.96Å; L180-Q182 HydrophobicContact CD2-CG 4.21Å; L180-Q182 HydrophobicContact CG-CG 3.93Å; L180-T186 CarbonylContact O-C 3.58Å; L180-T186 WeakPolarHBondContact O-CA 3.32Å; L180-K187 PolarHBondContact N-O 3.03Å; L180-K187 PolarHBondContact O-N 3.01Å; L180-L189 HydrophobicContact CB-CG 4.42Å; L180-L189 HydrophobicContact CD2-CD1 4.33Å; L180-L189 HydrophobicContact CD2-CD2 4.39Å; L180-L189 HydrophobicContact CD2-CG 4.47Å; L180-V224 HydrophobicContact CD1-CG1 3.9Å; L180-V224 HydrophobicContact CD1-CG2 4.5Å; L180-Y228 HydrophobicContact CD1-CD1 4.37Å; L180-Y228 WeakPolarHBondContact CD1-O 3.22Å |
| 181 | T | 90.3 | Very high | 89.1 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.1 | 172 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | Q185 Y228 | T181-Q185 WeakPolarHBondContact CA-O 3.11Å; T181-Y228 VanDerWaalsContact O-CB 3.24Å; T181-Y228 WeakPolarHBondContact O-CB 3.47Å |
| 182 | Q | 84.8 | Confident | 89.5 | Confident | 36 Ų | 36 | 42.2 Ų | 42.2 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145.4 | -179.2 | -76.2 | -179.2 | -21 | 0 | 0 | 109.9 | L180 R184 Q185 S245 | L180-Q182 HydrophobicContact CD1-CG 3.96Å; L180-Q182 HydrophobicContact CD2-CG 4.21Å; L180-Q182 HydrophobicContact CG-CG 3.93Å; Q182-R184 PolarHBondContact O-N 2.85Å; Q182-Q185 PolarHBondContact N-O 2.94Å; Q182-Q185 WeakPolarHBondContact O-CA 3.38Å; Q182-Q185 PolarHBondContact O-N 3.03Å; Q182-S245 PolarHBondContact NE2-OG 2.95Å |
| 183 | D | 80.5 | Confident | 89.7 | Confident | 145 Ų | 145 | 41.5 Ų | 41.5 | 78% | 0.775 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 39.2 | 174.2 | -54.3 | -38.4 | 0 | 0 | 0 | 114 | Q185 | D183-Q185 PolarHBondContact O-N 3.3Š|
| 184 | R | 81.3 | Confident | 89.5 | Confident | 210 Ų | 210 | 37.7 Ų | 37.7 | 79% | 0.792 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 12.5 | -178 | -44.9 | -176.6 | 169.7 | -176.6 | 0 | 115 | Y137 Q182 | Y137-R184 HydrophobicContact CE2-CB 4.12Å; Y137-R184 VanDerWaalsContact OH-CB 3.23Å; Y137-R184 WeakPolarHBondContact OH-CB 3.48Å; Y137-R184 WeakPolarHBondContact OH-CD 3.46Å; Y137-R184 WeakPolarHBondContact OH-CG 3.43Å; Q182-R184 PolarHBondContact O-N 2.85Å |
| 185 | Q | 87.1 | Confident | 89.5 | Confident | 91 Ų | 91 | 41.2 Ų | 41.2 | 43% | 0.425 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.8 | 175.2 | -64 | -171.6 | -15.6 | 0 | 0 | 110.5 | T181 Q182 D183 | T181-Q185 WeakPolarHBondContact CA-O 3.11Å; Q182-Q185 PolarHBondContact N-O 2.94Å; Q182-Q185 WeakPolarHBondContact O-CA 3.38Å; Q182-Q185 PolarHBondContact O-N 3.03Å; D183-Q185 PolarHBondContact O-N 3.3Å |
| 186 | T | 91.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127 | 168.5 | -52.4 | 0 | 0 | 0 | 0 | 108.8 | F133 L152 V179 L180 | F133-T186 HydrophobicContact CD2-CG2 4.46Å; F133-T186 HydrophobicContact CE1-CG2 4.4Å; F133-T186 HydrophobicContact CE2-CG2 3.66Å; F133-T186 HydrophobicContact CZ-CG2 3.63Å; L152-T186 HydrophobicContact CD1-CG2 3.56Å; L152-T186 HydrophobicContact CD2-CG2 4.12Å; L152-T186 HydrophobicContact CG-CG2 4.45Å; V179-T186 HydrophobicContact CG1-CG2 3.46Å; V179-T186 VanDerWaalsContact CG1-CG2 3.46Å; L180-T186 CarbonylContact O-C 3.58Å; L180-T186 WeakPolarHBondContact O-CA 3.32Å |
| 187 | K | 93.3 | Very high | 89.7 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 18% | 0.183 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 158.9 | 179.8 | -59 | 179.2 | -175.1 | 176.5 | 0 | 109 | L180 V198 L199 D200 | L180-K187 PolarHBondContact N-O 3.03Å; L180-K187 PolarHBondContact O-N 3.01Å; K187-V198 HydrophobicContact CB-CG1 4.26Å; K187-V198 HydrophobicContact CD-CG1 3.88Å; K187-L199 CarbonylContact C-O 3.54Å; K187-L199 VanDerWaalsContact CA-O 3.23Å; K187-L199 WeakPolarHBondContact CA-O 3.23Å; K187-L199 WeakPolarHBondContact CB-O 3.3Å; K187-D200 HydrophobicContact CG-CB 4.26Å |
| 188 | V | 95.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.7 | 173 | 175.8 | 0 | 0 | 0 | 0 | 108.8 | F150 L152 L164 W177 V190 L199 | F150-V188 HydrophobicContact CD1-CG1 3.88Å; F150-V188 HydrophobicContact CE1-CG1 3.83Å; F150-V188 HydrophobicContact CZ-CG1 4.47Å; L152-V188 HydrophobicContact CD1-CG2 4.08Å; L164-V188 HydrophobicContact CD1-CB 3.71Å; L164-V188 HydrophobicContact CD1-CG2 3.38Å; W177-V188 HydrophobicContact CE3-CG1 3.77Å; W177-V188 HydrophobicContact CZ3-CG1 4.41Å; V188-V190 HydrophobicContact CG1-CG2 3.7Å; V188-L199 HydrophobicContact CB-CB 4.25Å; V188-L199 HydrophobicContact CB-CD1 4.48Å; V188-L199 PolarHBondContact N-O 2.88Å; V188-L199 WeakPolarHBondContact O-CB 3.4Å; V188-L199 PolarHBondContact O-N 3.4Å |
| 189 | L | 94.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.2 | 170.4 | -54.3 | 174.1 | 0 | 0 | 0 | 108.7 | W177 A178 L180 L196 Y197 V198 M222 L231 | W177-L189 CarbonylContact C-O 3.58Å; W177-L189 WeakPolarHBondContact CA-O 3.2Å; W177-L189 WeakPolarHBondContact CB-O 3.09Å; A178-L189 PolarHBondContact N-O 2.8Å; A178-L189 PolarHBondContact O-N 3.3Å; L180-L189 HydrophobicContact CB-CG 4.42Å; L180-L189 HydrophobicContact CD2-CD1 4.33Å; L180-L189 HydrophobicContact CD2-CD2 4.39Å; L180-L189 HydrophobicContact CD2-CG 4.47Å; L189-L196 HydrophobicContact CB-CD1 4.45Å; L189-Y197 CarbonylContact C-O 3.55Å; L189-Y197 WeakPolarHBondContact CA-O 3.39Å; L189-V198 HydrophobicContact CD2-CB 4.17Å; L189-V198 HydrophobicContact CD2-CG1 4.29Å; L189-V198 HydrophobicContact CD2-CG2 3.38Å; L189-M222 HydrophobicContact CB-CE 3.57Å; L189-M222 HydrophobicContact CD1-CE 3.8Å; L189-M222 HydrophobicContact CG-CE 4.33Å; L189-L231 HydrophobicContact CD1-CD1 3.81Å; L189-L231 HydrophobicContact CD1-CD2 3.77Å; L189-L231 HydrophobicContact CD1-CG 4.43Å |
| 190 | V | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 132 | -178.1 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | F150 V167 L170 P174 W177 V188 Y197 L199 | F150-V190 HydrophobicContact CD2-CG2 4.42Å; F150-V190 HydrophobicContact CE1-CG2 4.13Å; F150-V190 HydrophobicContact CE2-CG1 4.2Å; F150-V190 HydrophobicContact CE2-CG2 3.65Å; F150-V190 HydrophobicContact CZ-CB 4.43Å; F150-V190 HydrophobicContact CZ-CG1 4.04Å; F150-V190 HydrophobicContact CZ-CG2 3.48Å; F150-V190 VanDerWaalsContact CZ-CG2 3.48Å; V167-V190 HydrophobicContact CG2-CB 4.34Å; V167-V190 HydrophobicContact CG2-CG1 4.36Å; V167-V190 HydrophobicContact CG2-CG2 4.41Å; L170-V190 HydrophobicContact CD2-CG1 4.31Å; P174-V190 HydrophobicContact CB-CG1 3.92Å; W177-V190 HydrophobicContact CB-CG2 4.26Å; V188-V190 HydrophobicContact CG1-CG2 3.7Å; V190-Y197 PolarHBondContact N-O 3.07Å; V190-Y197 PolarHBondContact O-N 2.96Å; V190-L199 HydrophobicContact CG2-CD1 3.72Å; V190-L199 HydrophobicContact CG2-CG 4.23Å |
| 191 | S | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.4 | 168.1 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | S175 C176 G193 E195 I219 | S175-S191 PolarHBondContact N-O 3.34Å; C176-S191 PolarHBondContact O-N 3.05Å; S191-G193 PolarHBondContact OG-O 2.91Å; S191-G193 VanDerWaalsContact OG-O 3.13Å; S191-E195 WeakPolarHBondContact CA-O 3.38Å; S191-I219 PolarHBondContact OG-O 3.46Å |
| 192 | S | 87.8 | Confident | 89 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 95.4 | 171 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | E195 | S192-E195 PolarHBondContact N-O 3.13Å; S192-E195 PolarHBondContact O-N 2.84Å |
| 193 | G | 80.3 | Confident | 89.4 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 22% | 0.216 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -127.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S191 E195 S218 I219 | S191-G193 PolarHBondContact OG-O 2.91Å; S191-G193 VanDerWaalsContact OG-O 3.13Å; G193-E195 VanDerWaalsContact C-N 3.34Å; G193-S218 WeakPolarHBondContact O-CA 3.49Å; G193-S218 WeakPolarHBondContact O-CB 3.47Å; G193-I219 PolarHBondContact O-N 2.89Å |
| 194 | P | 79.3 | Confident | 90 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 61% | 0.61 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -13.7 | 178.1 | 33.2 | -34.7 | 0 | 0 | 0 | 113.6 | ||
| 195 | E | 86.8 | Confident | 90.5 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 143 | -176.1 | -64 | -178.3 | 162.7 | 0 | 0 | 111.5 | S191 S192 G193 Y197 | S191-E195 WeakPolarHBondContact CA-O 3.38Å; S192-E195 PolarHBondContact N-O 3.13Å; S192-E195 PolarHBondContact O-N 2.84Å; G193-E195 VanDerWaalsContact C-N 3.34Å; E195-Y197 HydrophobicContact CB-CD2 4.37Å; E195-Y197 HydrophobicContact CB-CE2 3.66Å; E195-Y197 PolarHBondContact OE2-OH 2.9Å |
| 196 | L | 91.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.6 | 174.9 | 179.9 | 66.4 | 0 | 0 | 0 | 109.3 | L189 V207 P209 I219 M222 L233 L247 | L189-L196 HydrophobicContact CB-CD1 4.45Å; L196-V207 HydrophobicContact CB-CG2 4.12Å; L196-V207 HydrophobicContact CD2-CG2 3.86Å; L196-V207 HydrophobicContact CG-CG2 3.71Å; L196-V207 WeakPolarHBondContact O-CG2 3.15Å; L196-V207 PolarHBondContact O-N 3.26Å; L196-V207 VanDerWaalsContact O-O 3.09Å; L196-P209 HydrophobicContact CD2-CG 3.91Å; L196-I219 HydrophobicContact CB-CD1 4.21Å; L196-M222 HydrophobicContact CD1-CE 3.52Å; L196-M222 HydrophobicContact CD1-SD 3.89Å; L196-L233 HydrophobicContact CD2-CD1 4.41Å; L196-L247 HydrophobicContact CD2-CD1 4.03Å; L196-L247 HydrophobicContact CD2-CD2 4.42Å |
| 197 | Y | 93.6 | Very high | 90.7 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.3 | -179.4 | -68.9 | -87.7 | 0 | 0 | 0 | 110.8 | V167 L189 V190 E195 C204 T205 A206 | V167-Y197 HydrophobicContact CG1-CD1 4.36Å; V167-Y197 HydrophobicContact CG1-CD2 3.66Å; V167-Y197 HydrophobicContact CG1-CE2 3.92Å; V167-Y197 HydrophobicContact CG1-CG 3.89Å; L189-Y197 CarbonylContact C-O 3.55Å; L189-Y197 WeakPolarHBondContact CA-O 3.39Å; V190-Y197 PolarHBondContact N-O 3.07Å; V190-Y197 PolarHBondContact O-N 2.96Å; E195-Y197 HydrophobicContact CB-CD2 4.37Å; E195-Y197 HydrophobicContact CB-CE2 3.66Å; E195-Y197 PolarHBondContact OE2-OH 2.9Å; Y197-C204 WeakPolarHBondContact CD1-SG 3.46Å; Y197-T205 CarbonylContact C-O 3.57Å; Y197-T205 WeakPolarHBondContact CA-O 3.42Å; Y197-A206 HydrophobicContact CD1-CB 4.09Å; Y197-A206 HydrophobicContact CE1-CB 3.83Å |
| 198 | V | 94.1 | Very high | 90.4 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 117.4 | 168.4 | 178.7 | 0 | 0 | 0 | 0 | 108 | K187 L189 T205 V207 | K187-V198 HydrophobicContact CB-CG1 4.26Å; K187-V198 HydrophobicContact CD-CG1 3.88Å; L189-V198 HydrophobicContact CD2-CB 4.17Å; L189-V198 HydrophobicContact CD2-CG1 4.29Å; L189-V198 HydrophobicContact CD2-CG2 3.38Å; V198-T205 PolarHBondContact N-O 2.95Å; V198-T205 PolarHBondContact O-N 3.06Å; V198-T205 PolarHBondContact O-OG1 2.9Å; V198-V207 HydrophobicContact CG2-CB 4.34Å; V198-V207 HydrophobicContact CG2-CG1 3.79Å; V198-V207 HydrophobicContact CG2-CG2 3.6Å |
| 199 | L | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.1 | 173 | -58.4 | -179.5 | 0 | 0 | 0 | 109.4 | F150 L164 V167 K187 V188 V190 C204 | F150-L199 HydrophobicContact CB-CD1 4.45Å; F150-L199 HydrophobicContact CD2-CD1 3.69Å; F150-L199 HydrophobicContact CE2-CD1 4.14Å; F150-L199 HydrophobicContact CG-CD1 4.12Å; L164-L199 HydrophobicContact CB-CB 4.25Å; L164-L199 HydrophobicContact CB-CD1 4.29Å; L164-L199 HydrophobicContact CD1-CB 4.01Å; L164-L199 HydrophobicContact CD1-CD1 4.39Å; V167-L199 HydrophobicContact CG2-CD1 3.92Å; V167-L199 HydrophobicContact CG2-CD2 3.88Å; V167-L199 HydrophobicContact CG2-CG 4.25Å; K187-L199 CarbonylContact C-O 3.54Å; K187-L199 VanDerWaalsContact CA-O 3.23Å; K187-L199 WeakPolarHBondContact CA-O 3.23Å; K187-L199 WeakPolarHBondContact CB-O 3.3Å; V188-L199 HydrophobicContact CB-CB 4.25Å; V188-L199 HydrophobicContact CB-CD1 4.48Å; V188-L199 PolarHBondContact N-O 2.88Å; V188-L199 WeakPolarHBondContact O-CB 3.4Å; V188-L199 PolarHBondContact O-N 3.4Å; V190-L199 HydrophobicContact CG2-CD1 3.72Å; V190-L199 HydrophobicContact CG2-CG 4.23Å; L199-C204 HydrophobicContact CD2-CB 3.53Å; L199-C204 VanDerWaalsContact CD2-SG 3.5Å |
| 200 | D | 90.8 | Very high | 89.6 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | trans | -104.6 | -172 | 164.8 | 72.2 | 43.7 | 0 | 0 | 0 | 110.6 | L164 P165 K187 T202 S203 | L164-D200 WeakPolarHBondContact CD2-O 3.18Å; P165-D200 WeakPolarHBondContact CD-O 3.45Å; K187-D200 HydrophobicContact CG-CB 4.26Å; D200-T202 PolarHBondContact O-N 2.9Å; D200-T202 VanDerWaalsContact O-N 3.15Å; D200-T202 WeakPolarHBondContact OD1-CA 3.34Å; D200-T202 PolarHBondContact OD1-N 2.91Å; D200-T202 PolarHBondContact OD1-OG1 2.68Å; D200-S203 VanDerWaalsContact CG-OG 3.22Å; D200-S203 PolarHBondContact N-O 2.97Å; D200-S203 PolarHBondContact OD1-N 2.77Å; D200-S203 PolarHBondContact OD1-OG 2.87Å; D200-S203 PolarHBondContact OD2-OG 2.82Å | ||
| 201 | N | 86.9 | Confident | 88.9 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -63.2 | -20.2 | -177.1 | -62.4 | -54.4 | 0 | 0 | 0 | 114.2 | R162 | R162-N201 VanDerWaalsContact CD-OD1 3.26Å; R162-N201 WeakPolarHBondContact CD-OD1 3.43Å; R162-N201 VanDerWaalsContact NH1-CG 3.29Å; R162-N201 PolarHBondContact NH1-ND2 3.27Å; R162-N201 PolarHBondContact NH1-OD1 2.98Å; R162-N201 VanDerWaalsContact NH1-OD1 3.1Å |
| 202 | T | 89 | Confident | 88.5 | Confident | 124 Ų | 124 | 47 Ų | 47 | 76% | 0.761 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -132.4 | -23.7 | -166.3 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | D200 | D200-T202 PolarHBondContact O-N 2.9Å; D200-T202 VanDerWaalsContact O-N 3.15Å; D200-T202 WeakPolarHBondContact OD1-CA 3.34Å; D200-T202 PolarHBondContact OD1-N 2.91Å; D200-T202 PolarHBondContact OD1-OG1 2.68Å |
| 203 | S | 91.9 | Very high | 87.9 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | trans | -132.9 | 147.1 | -171.6 | 88.6 | 0 | 0 | 0 | 0 | 112.4 | D200 | D200-S203 VanDerWaalsContact CG-OG 3.22Å; D200-S203 PolarHBondContact N-O 2.97Å; D200-S203 PolarHBondContact OD1-N 2.77Å; D200-S203 PolarHBondContact OD1-OG 2.87Å; D200-S203 PolarHBondContact OD2-OG 2.82Å | ||
| 204 | C | 93.4 | Very high | 87.5 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 115 | 164.9 | 173.4 | 0 | 0 | 0 | 0 | 106.8 | P165 Y197 L199 | P165-C204 HydrophobicContact CB-CB 4.06Å; Y197-C204 WeakPolarHBondContact CD1-SG 3.46Å; L199-C204 HydrophobicContact CD2-CB 3.53Å; L199-C204 VanDerWaalsContact CD2-SG 3.5Å |
| 205 | T | 93.1 | Very high | 87.1 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 36% | 0.362 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.4 | -176.3 | 51.6 | 0 | 0 | 0 | 0 | 110.2 | Y197 V198 | Y197-T205 CarbonylContact C-O 3.57Å; Y197-T205 WeakPolarHBondContact CA-O 3.42Å; V198-T205 PolarHBondContact N-O 2.95Å; V198-T205 PolarHBondContact O-N 3.06Å; V198-T205 PolarHBondContact O-OG1 2.9Å |
| 206 | A | 91.3 | Very high | 86.5 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 44% | 0.438 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y197 | Y197-A206 HydrophobicContact CD1-CB 4.09Å; Y197-A206 HydrophobicContact CE1-CB 3.83Å |
| 207 | V | 90.5 | Very high | 86.1 | Confident | 33 Ų | 33 | 53 Ų | 53 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.1 | -178.1 | -66.7 | 0 | 0 | 0 | 0 | 110.4 | L196 V198 L247 | L196-V207 HydrophobicContact CB-CG2 4.12Å; L196-V207 HydrophobicContact CD2-CG2 3.86Å; L196-V207 HydrophobicContact CG-CG2 3.71Å; L196-V207 WeakPolarHBondContact O-CG2 3.15Å; L196-V207 PolarHBondContact O-N 3.26Å; L196-V207 VanDerWaalsContact O-O 3.09Å; V198-V207 HydrophobicContact CG2-CB 4.34Å; V198-V207 HydrophobicContact CG2-CG1 3.79Å; V198-V207 HydrophobicContact CG2-CG2 3.6Å; V207-L247 HydrophobicContact CB-CD1 3.7Å; V207-L247 HydrophobicContact CG1-CD1 4.38Å; V207-L247 HydrophobicContact CG2-CD1 3.41Å; V207-L247 VanDerWaalsContact CG2-CD1 3.41Å |
| 208 | Y | 86.9 | Confident | 85.9 | Confident | 165 Ų | 165 | 53.2 Ų | 53.2 | 65% | 0.647 | 32% | 0.322 | S | S | * | . | trans | -121.6 | 120.8 | -178 | -63.2 | -84 | 0 | 0 | 0 | 109.5 | ||||
| 209 | P | 86.4 | Confident | 85.8 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.104 | 32% | 0.317 | C | S | . | . | trans | -62 | 125.5 | 175.2 | -20.6 | 32.2 | 0 | 0 | 0 | 110.2 | L196 G211 L212 L233 W241 L247 | L196-P209 HydrophobicContact CD2-CG 3.91Å; P209-G211 PolarHBondContact O-N 2.85Å; P209-L212 HydrophobicContact CB-CB 4.19Å; P209-L212 HydrophobicContact CB-CD2 4.42Å; P209-L212 HydrophobicContact CG-CD2 4.2Å; P209-L212 PolarHBondContact O-N 2.82Å; P209-L233 HydrophobicContact CB-CD1 3.82Å; P209-L233 HydrophobicContact CG-CD1 3.4Å; P209-W241 HydrophobicContact CB-CD2 4.19Å; P209-W241 HydrophobicContact CB-CH2 4.27Å; P209-W241 HydrophobicContact CB-CZ2 3.93Å; P209-L247 HydrophobicContact CB-CD2 4.44Å | ||
| 210 | P | 86.9 | Confident | 85.7 | Confident | 39 Ų | 39 | 53.8 Ų | 53.8 | 25% | 0.253 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 132.8 | -176.1 | 23.5 | -33.2 | 0 | 0 | 0 | 110.7 | L212 W241 L247 R250 | P210-L212 PolarHBondContact O-N 2.89Å; P210-W241 HydrophobicContact CG-CZ2 4.02Å; P210-W241 PolarHBondContact O-NE1 3.08Å; P210-L247 WeakPolarHBondContact CD-O 3.33Å; P210-L247 WeakPolarHBondContact CG-O 3.33Å; P210-R250 HydrophobicContact CG-CB 4.41Å; P210-R250 WeakPolarHBondContact O-CB 3.34Å; P210-R250 WeakPolarHBondContact O-CD 3.4Å |
| 211 | G | 81.5 | Confident | 85.9 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 19 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | P209 R250 | P209-G211 PolarHBondContact O-N 2.85Å; G211-R250 PolarHBondContact O-NH1 3.29Å |
| 212 | L | 82.4 | Confident | 86.3 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 20% | 0.199 | 32% | 0.315 | C | S | . | . | trans | -72.8 | 127.9 | 167.5 | -175.5 | 69.2 | 0 | 0 | 0 | 109.2 | P209 P210 A216 T235 W241 | P209-L212 HydrophobicContact CB-CB 4.19Å; P209-L212 HydrophobicContact CB-CD2 4.42Å; P209-L212 HydrophobicContact CG-CD2 4.2Å; P209-L212 PolarHBondContact O-N 2.82Å; P210-L212 PolarHBondContact O-N 2.89Å; L212-A216 HydrophobicContact CD1-CB 3.95Å; L212-A216 HydrophobicContact CG-CB 4.02Å; L212-T235 HydrophobicContact CD1-CG2 4.38Å; L212-W241 HydrophobicContact CD1-CB 3.71Å; L212-W241 HydrophobicContact CD1-CG 4.02Å | ||
| 213 | S | 75 | Confident | 86.6 | Confident | 25 Ų | 25 | 47 Ų | 47 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | trans | -54.3 | 134.9 | 179.1 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | Q215 A216 E253 | S213-Q215 PolarHBondContact O-N 2.91Å; S213-Q215 VanDerWaalsContact O-N 3.07Å; S213-Q215 PolarHBondContact OG-N 2.69Å; S213-A216 WeakPolarHBondContact O-CB 3.31Å; S213-A216 PolarHBondContact O-N 2.94Å; S213-E253 WeakPolarHBondContact CB-OE1 3.22Å; S213-E253 PolarHBondContact N-OE2 2.78Å | ||
| 214 | P | 71.5 | Confident | 86.7 | Confident | 136 Ų | 136 | 46.4 Ų | 46.4 | 88% | 0.883 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.5 | 173.4 | -23 | 33 | 0 | 0 | 0 | 113.6 | ||
| 215 | Q | 71.4 | Confident | 86.7 | Confident | 155 Ų | 155 | 44.9 Ų | 44.9 | 72% | 0.724 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3.5 | 178.2 | -61.7 | 166.7 | -3 | 0 | 0 | 112.4 | S213 G217 | S213-Q215 PolarHBondContact O-N 2.91Å; S213-Q215 VanDerWaalsContact O-N 3.07Å; S213-Q215 PolarHBondContact OG-N 2.69Å; Q215-G217 PolarHBondContact O-N 3.06Å |
| 216 | A | 73.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -70.1 | -18.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | L212 S213 T235 T237 | L212-A216 HydrophobicContact CD1-CB 3.95Å; L212-A216 HydrophobicContact CG-CB 4.02Å; S213-A216 WeakPolarHBondContact O-CB 3.31Å; S213-A216 PolarHBondContact O-N 2.94Å; A216-T235 HydrophobicContact CB-CG2 4.02Å; A216-T235 WeakPolarHBondContact O-CB 3.48Å; A216-T235 PolarHBondContact O-OG1 2.92Å; A216-T237 WeakPolarHBondContact O-CG2 3.25Å; A216-T237 PolarHBondContact O-OG1 3.3Å |
| 217 | G | 83.9 | Confident | 86.2 | Confident | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | trans | 75.8 | -162.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q215 E236 | Q215-G217 PolarHBondContact O-N 3.06Å; G217-E236 VanDerWaalsContact CA-OE1 3.29Å; G217-E236 WeakPolarHBondContact CA-OE1 3.32Å | ||
| 218 | S | 89 | Confident | 86.2 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | trans | -70.2 | 145.5 | -178.8 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | G193 T235 E236 | G193-S218 WeakPolarHBondContact O-CA 3.49Å; G193-S218 WeakPolarHBondContact O-CB 3.47Å; S218-T235 CarbonylContact O-C 3.59Å; S218-T235 VanDerWaalsContact O-CA 3.27Å; S218-T235 WeakPolarHBondContact O-CA 3.39Å; S218-E236 VanDerWaalsContact N-CD 3.35Å; S218-E236 PolarHBondContact N-OE1 3.07Å; S218-E236 PolarHBondContact O-N 3.39Å | ||
| 219 | I | 92.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.7 | 175.3 | -54.1 | 164 | 0 | 0 | 0 | 108.3 | S175 C176 S191 G193 L196 M222 L233 T235 | S175-I219 WeakPolarHBondContact CB-O 3.3Å; C176-I219 PolarHBondContact SG-O 3.1Å; S191-I219 PolarHBondContact OG-O 3.46Å; G193-I219 PolarHBondContact O-N 2.89Å; L196-I219 HydrophobicContact CB-CD1 4.21Å; I219-M222 HydrophobicContact CG2-CG 3.86Å; I219-L233 HydrophobicContact CD1-CD1 4.13Å; I219-L233 HydrophobicContact CG2-CB 4.12Å; I219-L233 HydrophobicContact CG2-CD2 4.33Å; I219-T235 HydrophobicContact CG1-CG2 4.47Å |
| 220 | V | 92.9 | Very high | 86.6 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -15.7 | -173.7 | -61 | 0 | 0 | 0 | 0 | 113.1 | C176 F234 E236 T261 | C176-V220 WeakPolarHBondContact CB-O 3.46Å; V220-F234 HydrophobicContact CG2-CD1 3.68Å; V220-F234 HydrophobicContact CG2-CE1 4.22Å; V220-F234 WeakPolarHBondContact CG2-O 3.33Å; V220-F234 PolarHBondContact N-O 2.73Å; V220-E236 HydrophobicContact CG1-CB 3.87Å; V220-T261 HydrophobicContact CB-CG2 4.25Å; V220-T261 HydrophobicContact CG2-CG2 3.97Å |
| 221 | H | 94.1 | Very high | 87 | Confident | 40 Ų | 40 | 43 Ų | 43 | 19% | 0.185 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 144.5 | 172.8 | -158.9 | -63.1 | 0 | 0 | 0 | 111.5 | F234 T261 P262 M265 | H221-F234 HydrophobicContact CB-CB 4.13Å; H221-F234 PolarHBondContact N-O 2.91Å; H221-F234 PolarHBondContact O-N 2.9Å; H221-T261 HydrophobicContact CB-CG2 4.39Å; H221-P262 HydrophobicContact CB-CG 4.19Å; H221-P262 PolarHBondContact CD2-O 3.34Å; H221-M265 HydrophobicContact CB-CE 4.48Å |
| 222 | M | 95.2 | Very high | 87.7 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142.8 | 177.7 | -64.2 | 176.1 | 73.6 | 0 | 0 | 111.2 | C176 A178 L189 L196 I219 L231 A232 L233 M265 | C176-M222 HydrophobicContact CB-CG 4.5Å; C176-M222 VanDerWaalsContact SG-CG 3.53Å; A178-M222 HydrophobicContact CB-CB 4.18Å; L189-M222 HydrophobicContact CB-CE 3.57Å; L189-M222 HydrophobicContact CD1-CE 3.8Å; L189-M222 HydrophobicContact CG-CE 4.33Å; L196-M222 HydrophobicContact CD1-CE 3.52Å; L196-M222 HydrophobicContact CD1-SD 3.89Å; I219-M222 HydrophobicContact CG2-CG 3.86Å; M222-L231 HydrophobicContact CE-CD1 3.97Å; M222-L231 HydrophobicContact CE-CD2 4.42Å; M222-A232 WeakPolarHBondContact CA-O 3.5Å; M222-L233 HydrophobicContact CB-CD2 4.35Å; M222-L233 HydrophobicContact CE-CD2 3.44Å; M222-L233 VanDerWaalsContact CE-CD2 3.44Å; M222-L233 HydrophobicContact CG-CD2 3.62Å; M222-L233 HydrophobicContact SD-CD2 4.17Å; M222-M265 VanDerWaalsContact C-CE 3.46Å |
| 223 | S | 95.4 | Very high | 88.3 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.5 | 172.3 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | A232 M265 W267 | S223-A232 PolarHBondContact N-O 2.78Å; S223-A232 PolarHBondContact O-N 3.11Å; S223-M265 VanDerWaalsContact CB-O 3.3Å; S223-M265 WeakPolarHBondContact CB-O 3.44Å; S223-M265 VanDerWaalsContact N-CE 3.25Å; S223-M265 PolarHBondContact OG-O 3.2Å; S223-M265 VanDerWaalsContact OG-O 3.06Å; S223-W267 PolarHBondContact O-NE1 3.02Å |
| 224 | V | 94.3 | Very high | 89.2 | Confident | 25 Ų | 25 | 37.7 Ų | 37.7 | 15% | 0.152 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 143.2 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | A178 L180 Y228 Y230 L231 W267 | A178-V224 HydrophobicContact CB-CG2 3.89Å; L180-V224 HydrophobicContact CD1-CG1 3.9Å; L180-V224 HydrophobicContact CD1-CG2 4.5Å; V224-Y228 HydrophobicContact CG1-CD1 3.69Å; V224-Y228 HydrophobicContact CG1-CE1 4.49Å; V224-Y228 HydrophobicContact CG1-CG 4.34Å; V224-Y230 WeakPolarHBondContact CA-O 3.22Å; V224-L231 HydrophobicContact CG2-CD1 3.92Å; V224-W267 VanDerWaalsContact C-CD1 3.45Å |
| 225 | S | 92.7 | Very high | 90.2 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | trans | -66.1 | 158.1 | 177.7 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | S227 Y228 K229 Y230 W267 | S225-S227 PolarHBondContact O-N 3.28Å; S225-S227 PolarHBondContact OG-OG 2.71Å; S225-Y228 PolarHBondContact O-N 3.07Å; S225-Y228 PolarHBondContact OG-N 2.76Å; S225-K229 PolarHBondContact OG-N 3.31Å; S225-Y230 PolarHBondContact N-O 3.27Å; S225-Y230 PolarHBondContact OG-N 3.22Å; S225-Y230 PolarHBondContact OG-O 2.9Å; S225-W267 VanDerWaalsContact CA-CD1 3.4Å; S225-W267 VanDerWaalsContact N-CD1 3.28Å | ||
| 226 | F | 88.1 | Confident | 91.2 | Very high | 63 Ų | 63 | 28.3 Ų | 28.3 | 28% | 0.276 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -30.3 | 176.9 | -164.6 | -88 | 0 | 0 | 0 | 113.9 | P41 Y42 G308 L310 L445 | P41-F226 HydrophobicContact CB-CE2 3.96Å; P41-F226 HydrophobicContact CB-CZ 4.2Å; Y42-F226 AromaticContact CE1-CE1 3.97Å; Y42-F226 HydrophobicContact CE1-CE1 3.97Å; Y42-F226 AromaticContact CE1-CZ 3.77Å; Y42-F226 HydrophobicContact CE1-CZ 3.77Å; Y42-F226 HydrophobicContact CE2-CZ 4.04Å; Y42-F226 AromaticContact CZ-CE1 3.77Å; Y42-F226 AromaticContact CZ-CZ 3.49Å; Y42-F226 VanDerWaalsContact CZ-CZ 3.49Å; Y42-F226 VanDerWaalsContact OH-CE1 3.31Å; Y42-F226 WeakPolarHBondContact OH-CE1 3.23Å; Y42-F226 WeakPolarHBondContact OH-CZ 3.43Å; F226-G308 WeakPolarHBondContact CD2-O 3.42Å; F226-G308 WeakPolarHBondContact CE2-O 3.48Å; F226-L310 HydrophobicContact CD1-CB 4.21Å; F226-L310 HydrophobicContact CD1-CD1 3.99Å; F226-L310 HydrophobicContact CE1-CB 4.22Å; F226-L310 HydrophobicContact CE1-CD1 4.36Å; F226-L445 HydrophobicContact CE1-CD1 4.31Å |
| 227 | S | 86.2 | Confident | 91.9 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 2.9 | 178.7 | 66.3 | 0 | 0 | 0 | 0 | 115 | S225 K229 | S225-S227 PolarHBondContact O-N 3.28Å; S225-S227 PolarHBondContact OG-OG 2.71Å; S227-K229 PolarHBondContact O-N 2.67Å; S227-K229 VanDerWaalsContact O-N 3.09Å |
| 228 | Y | 90.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 57.2 | 12.8 | -170.6 | -57.7 | -82.3 | 0 | 0 | 0 | 116 | H134 L180 T181 V224 S225 S245 | H134-Y228 PolarHBondContact N-OH 2.96Å; H134-Y228 WeakPolarHBondContact O-CE2 3.16Å; H134-Y228 VanDerWaalsContact O-CZ 3.24Å; H134-Y228 PolarHBondContact O-OH 3.16Å; L180-Y228 HydrophobicContact CD1-CD1 4.37Å; L180-Y228 WeakPolarHBondContact CD1-O 3.22Å; T181-Y228 VanDerWaalsContact O-CB 3.24Å; T181-Y228 WeakPolarHBondContact O-CB 3.47Å; V224-Y228 HydrophobicContact CG1-CD1 3.69Å; V224-Y228 HydrophobicContact CG1-CE1 4.49Å; V224-Y228 HydrophobicContact CG1-CG 4.34Å; S225-Y228 PolarHBondContact O-N 3.07Å; S225-Y228 PolarHBondContact OG-N 2.76Å; Y228-S245 PolarHBondContact O-OG 2.8Å |
| 229 | K | 90.1 | Very high | 92.4 | Very high | 133 Ų | 133 | 32 Ų | 32 | 58% | 0.578 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -86.7 | -31.2 | -178.7 | -69 | -176.2 | 178.8 | -176.5 | 0 | 113.8 | S225 S227 S245 | S225-K229 PolarHBondContact OG-N 3.31Å; S227-K229 PolarHBondContact O-N 2.67Å; S227-K229 VanDerWaalsContact O-N 3.09Å; K229-S245 WeakPolarHBondContact CA-OG 3.44Å; K229-S245 WeakPolarHBondContact O-CB 3.45Å; K229-S245 PolarHBondContact O-N 3.28Å; K229-S245 PolarHBondContact O-OG 3.24Å |
| 230 | Y | 92.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 32 Ų | 32 | 13% | 0.133 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 152 | -175.7 | -52.6 | -86.5 | 0 | 0 | 0 | 112.1 | V224 S225 G243 L244 L251 W267 R269 | V224-Y230 WeakPolarHBondContact CA-O 3.22Å; S225-Y230 PolarHBondContact N-O 3.27Å; S225-Y230 PolarHBondContact OG-N 3.22Å; S225-Y230 PolarHBondContact OG-O 2.9Å; Y230-G243 WeakPolarHBondContact CA-O 2.99Å; Y230-L244 HydrophobicContact CD1-CD2 3.82Å; Y230-L244 HydrophobicContact CE1-CD2 3.52Å; Y230-L251 HydrophobicContact CD1-CD1 3.58Å; Y230-L251 HydrophobicContact CE1-CD1 3.86Å; Y230-W267 HydrophobicContact CG-CH2 4.35Å; Y230-R269 VanDerWaalsContact CE2-NH1 3.28Å; Y230-R269 PolarHBondContact OH-NH2 2.93Å |
| 231 | L | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.7 | -179.1 | 175.5 | 65.7 | 0 | 0 | 0 | 109.9 | L189 M222 V224 L233 W241 G243 L247 W267 | L189-L231 HydrophobicContact CD1-CD1 3.81Å; L189-L231 HydrophobicContact CD1-CD2 3.77Å; L189-L231 HydrophobicContact CD1-CG 4.43Å; M222-L231 HydrophobicContact CE-CD1 3.97Å; M222-L231 HydrophobicContact CE-CD2 4.42Å; V224-L231 HydrophobicContact CG2-CD1 3.92Å; L231-L233 HydrophobicContact CD1-CD2 3.97Å; L231-L233 HydrophobicContact CD2-CD2 3.92Å; L231-L233 HydrophobicContact CD2-CG 4.41Å; L231-L233 HydrophobicContact CG-CD2 3.82Å; L231-L233 HydrophobicContact CG-CG 4.26Å; L231-W241 HydrophobicContact CB-CZ3 4.43Å; L231-W241 HydrophobicContact CD2-CZ3 4.4Å; L231-W241 HydrophobicContact CG-CZ3 4.37Å; L231-G243 PolarHBondContact N-O 2.91Å; L231-G243 PolarHBondContact O-N 2.83Å; L231-L247 HydrophobicContact CD2-CD2 3.74Å; L231-W267 VanDerWaalsContact C-CZ2 3.48Å |
| 232 | A | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | M222 S223 L240 W241 T242 M265 W267 V278 | M222-A232 WeakPolarHBondContact CA-O 3.5Å; S223-A232 PolarHBondContact N-O 2.78Å; S223-A232 PolarHBondContact O-N 3.11Å; A232-L240 HydrophobicContact CB-CD1 4.35Å; A232-W241 CarbonylContact C-O 3.59Å; A232-W241 WeakPolarHBondContact CA-O 3.49Å; A232-T242 HydrophobicContact CB-CG2 4.42Å; A232-M265 HydrophobicContact CB-CE 3.9Å; A232-M265 HydrophobicContact CB-SD 4.3Å; A232-M265 VanDerWaalsContact O-CE 3.23Å; A232-M265 WeakPolarHBondContact O-CE 3.42Å; A232-W267 HydrophobicContact CB-CZ2 3.75Å; A232-V278 HydrophobicContact CB-CG1 4.15Å; A232-V278 HydrophobicContact CB-CG2 3.74Å |
| 233 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.6 | -179.2 | -51.1 | 176.4 | 0 | 0 | 0 | 108.3 | L196 P209 I219 M222 L231 L240 W241 | L196-L233 HydrophobicContact CD2-CD1 4.41Å; P209-L233 HydrophobicContact CB-CD1 3.82Å; P209-L233 HydrophobicContact CG-CD1 3.4Å; I219-L233 HydrophobicContact CD1-CD1 4.13Å; I219-L233 HydrophobicContact CG2-CB 4.12Å; I219-L233 HydrophobicContact CG2-CD2 4.33Å; M222-L233 HydrophobicContact CB-CD2 4.35Å; M222-L233 HydrophobicContact CE-CD2 3.44Å; M222-L233 VanDerWaalsContact CE-CD2 3.44Å; M222-L233 HydrophobicContact CG-CD2 3.62Å; M222-L233 HydrophobicContact SD-CD2 4.17Å; L231-L233 HydrophobicContact CD1-CD2 3.97Å; L231-L233 HydrophobicContact CD2-CD2 3.92Å; L231-L233 HydrophobicContact CD2-CG 4.41Å; L231-L233 HydrophobicContact CG-CD2 3.82Å; L231-L233 HydrophobicContact CG-CG 4.26Å; L233-L240 WeakPolarHBondContact O-CA 3.2Å; L233-W241 HydrophobicContact CB-CB 4.32Å; L233-W241 HydrophobicContact CB-CE3 4.26Å; L233-W241 HydrophobicContact CD1-CD2 4.16Å; L233-W241 HydrophobicContact CD1-CE3 3.57Å; L233-W241 HydrophobicContact CD1-CZ3 3.96Å; L233-W241 HydrophobicContact CG-CE3 3.66Å; L233-W241 HydrophobicContact CG-CZ3 4.15Å; L233-W241 PolarHBondContact N-O 2.84Å; L233-W241 PolarHBondContact O-N 2.9Å |
| 234 | F | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132 | 174.8 | -174.1 | -95.7 | 0 | 0 | 0 | 109.5 | V220 H221 R239 L240 T256 Q258 P262 M265 L280 W282 | V220-F234 HydrophobicContact CG2-CD1 3.68Å; V220-F234 HydrophobicContact CG2-CE1 4.22Å; V220-F234 WeakPolarHBondContact CG2-O 3.33Å; V220-F234 PolarHBondContact N-O 2.73Å; H221-F234 HydrophobicContact CB-CB 4.13Å; H221-F234 PolarHBondContact N-O 2.91Å; H221-F234 PolarHBondContact O-N 2.9Å; F234-R239 WeakPolarHBondContact CA-O 3.3Å; F234-L240 HydrophobicContact CB-CD1 4.44Å; F234-L240 HydrophobicContact CD2-CB 4.4Å; F234-L240 HydrophobicContact CD2-CD1 4.45Å; F234-T256 HydrophobicContact CE2-CG2 3.97Å; F234-Q258 WeakPolarHBondContact CZ-O 3.13Å; F234-P262 HydrophobicContact CD1-CG 4.12Å; F234-P262 VanDerWaalsContact CE1-CD 3.41Å; F234-P262 HydrophobicContact CE1-CG 4.44Å; F234-P262 HydrophobicContact CG-CG 4.3Å; F234-M265 HydrophobicContact CB-CE 4.42Å; F234-M265 HydrophobicContact CB-SD 3.96Å; F234-L280 HydrophobicContact CD2-CD2 3.54Å; F234-L280 HydrophobicContact CE2-CD2 3.79Å; F234-L280 HydrophobicContact CG-CD2 4.28Å; F234-W282 HydrophobicContact CE2-CZ2 4.33Å; F234-W282 HydrophobicContact CZ-CZ2 4Å |
| 235 | T | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 160.6 | -174.9 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | L212 A216 S218 I219 T237 G238 R239 | L212-T235 HydrophobicContact CD1-CG2 4.38Å; A216-T235 HydrophobicContact CB-CG2 4.02Å; A216-T235 WeakPolarHBondContact O-CB 3.48Å; A216-T235 PolarHBondContact O-OG1 2.92Å; S218-T235 CarbonylContact O-C 3.59Å; S218-T235 VanDerWaalsContact O-CA 3.27Å; S218-T235 WeakPolarHBondContact O-CA 3.39Å; I219-T235 HydrophobicContact CG1-CG2 4.47Å; T235-T237 PolarHBondContact O-N 2.85Å; T235-T237 VanDerWaalsContact O-N 3.15Å; T235-T237 PolarHBondContact OG1-OG1 3.35Å; T235-T237 VanDerWaalsContact OG1-OG1 3.09Å; T235-G238 PolarHBondContact O-N 3.02Å; T235-R239 PolarHBondContact N-O 3.48Å; T235-R239 PolarHBondContact OG1-N 2.86Å; T235-R239 PolarHBondContact OG1-O 3.05Å |
| 236 | E | 91.3 | Very high | 92 | Very high | 95 Ų | 95 | 31.3 Ų | 31.3 | 44% | 0.444 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.2 | 179.3 | 70.8 | -168.2 | 161.1 | 0 | 0 | 113.9 | G217 S218 V220 G238 | G217-E236 VanDerWaalsContact CA-OE1 3.29Å; G217-E236 WeakPolarHBondContact CA-OE1 3.32Å; S218-E236 VanDerWaalsContact N-CD 3.35Å; S218-E236 PolarHBondContact N-OE1 3.07Å; S218-E236 PolarHBondContact O-N 3.39Å; V220-E236 HydrophobicContact CG1-CB 3.87Å; E236-G238 PolarHBondContact O-N 3.13Å |
| 237 | T | 90 | Very high | 92 | Very high | 60 Ų | 60 | 29.5 Ų | 29.5 | 37% | 0.368 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 0.5 | 176 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | A216 T235 | A216-T237 WeakPolarHBondContact O-CG2 3.25Å; A216-T237 PolarHBondContact O-OG1 3.3Å; T235-T237 PolarHBondContact O-N 2.85Å; T235-T237 VanDerWaalsContact O-N 3.15Å; T235-T237 PolarHBondContact OG1-OG1 3.35Å; T235-T237 VanDerWaalsContact OG1-OG1 3.09Å |
| 238 | G | 90.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 85.6 | 16.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T235 E236 T256 Q258 | T235-G238 PolarHBondContact O-N 3.02Å; E236-G238 PolarHBondContact O-N 3.13Å; G238-T256 WeakPolarHBondContact O-CB 3.43Å; G238-T256 PolarHBondContact O-N 3.5Å; G238-T256 PolarHBondContact O-OG1 2.73Å; G238-Q258 WeakPolarHBondContact CA-O 2.98Å |
| 239 | R | 91.7 | Very high | 92.1 | Very high | 71 Ų | 71 | 37.6 Ų | 37.6 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.5 | 177.8 | -60.7 | -174.7 | 178.1 | -133.4 | -5 | 111 | F234 T235 E253 | F234-R239 WeakPolarHBondContact CA-O 3.3Å; T235-R239 PolarHBondContact N-O 3.48Å; T235-R239 PolarHBondContact OG1-N 2.86Å; T235-R239 PolarHBondContact OG1-O 3.05Å; R239-E253 WeakPolarHBondContact CD-OE1 3.46Å; R239-E253 IonicContact CZ-OE1 2.68Å; R239-E253 IonicContact NE-OE1 2.77Å; R239-E253 IonicContact NH1-OE1 3.09Å; R239-E253 PolarHBondContact NH1-OE1 3.27Å |
| 240 | L | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.1 | 172.3 | -179.6 | 72.3 | 0 | 0 | 0 | 109.4 | A232 L233 F234 T242 E253 V254 T256 M265 V278 L280 V289 | A232-L240 HydrophobicContact CB-CD1 4.35Å; L233-L240 WeakPolarHBondContact O-CA 3.2Å; F234-L240 HydrophobicContact CB-CD1 4.44Å; F234-L240 HydrophobicContact CD2-CB 4.4Å; F234-L240 HydrophobicContact CD2-CD1 4.45Å; L240-T242 HydrophobicContact CD2-CG2 4.14Å; L240-T242 HydrophobicContact CG-CG2 4.08Å; L240-E253 CarbonylContact O-C 3.58Å; L240-E253 WeakPolarHBondContact O-CA 3.24Å; L240-V254 PolarHBondContact N-O 3.17Å; L240-V254 PolarHBondContact O-N 3.31Å; L240-T256 HydrophobicContact CB-CG2 4.02Å; L240-M265 HydrophobicContact CD1-SD 3.68Å; L240-V278 HydrophobicContact CD1-CG1 4.47Å; L240-V278 HydrophobicContact CD2-CB 4.06Å; L240-V278 HydrophobicContact CD2-CG1 4.49Å; L240-V278 HydrophobicContact CD2-CG2 4.48Å; L240-L280 HydrophobicContact CD1-CD2 4.4Å; L240-L280 HydrophobicContact CD2-CD1 3.97Å; L240-V289 HydrophobicContact CD2-CB 3.6Å; L240-V289 HydrophobicContact CD2-CG1 3.63Å; L240-V289 HydrophobicContact CD2-CG2 4.12Å |
| 241 | W | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.2 | 169.1 | 179 | 100.6 | 0 | 0 | 0 | 109.8 | P209 P210 L212 L231 A232 L233 L247 R250 | P209-W241 HydrophobicContact CB-CD2 4.19Å; P209-W241 HydrophobicContact CB-CH2 4.27Å; P209-W241 HydrophobicContact CB-CZ2 3.93Å; P210-W241 HydrophobicContact CG-CZ2 4.02Å; P210-W241 PolarHBondContact O-NE1 3.08Å; L212-W241 HydrophobicContact CD1-CB 3.71Å; L212-W241 HydrophobicContact CD1-CG 4.02Å; L231-W241 HydrophobicContact CB-CZ3 4.43Å; L231-W241 HydrophobicContact CD2-CZ3 4.4Å; L231-W241 HydrophobicContact CG-CZ3 4.37Å; A232-W241 CarbonylContact C-O 3.59Å; A232-W241 WeakPolarHBondContact CA-O 3.49Å; L233-W241 HydrophobicContact CB-CB 4.32Å; L233-W241 HydrophobicContact CB-CE3 4.26Å; L233-W241 HydrophobicContact CD1-CD2 4.16Å; L233-W241 HydrophobicContact CD1-CE3 3.57Å; L233-W241 HydrophobicContact CD1-CZ3 3.96Å; L233-W241 HydrophobicContact CG-CE3 3.66Å; L233-W241 HydrophobicContact CG-CZ3 4.15Å; L233-W241 PolarHBondContact N-O 2.84Å; L233-W241 PolarHBondContact O-N 2.9Å; W241-L247 HydrophobicContact CH2-CD2 3.89Å; W241-L247 HydrophobicContact CZ3-CD2 4.3Å; W241-R250 HydrophobicContact CZ2-CB 4.26Å; W241-R250 HydrophobicContact CZ2-CG 4.39Å |
| 242 | T | 94.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.1 | 174.3 | 73.1 | 0 | 0 | 0 | 0 | 110.5 | A232 L240 L251 S252 W267 V278 | A232-T242 HydrophobicContact CB-CG2 4.42Å; L240-T242 HydrophobicContact CD2-CG2 4.14Å; L240-T242 HydrophobicContact CG-CG2 4.08Å; T242-L251 WeakPolarHBondContact O-CB 3.08Å; T242-L251 PolarHBondContact O-N 2.77Å; T242-S252 PolarHBondContact N-O 2.9Å; T242-S252 PolarHBondContact O-N 3.21Å; T242-S252 VanDerWaalsContact O-N 3.14Å; T242-S252 PolarHBondContact OG1-N 2.97Å; T242-S252 PolarHBondContact OG1-OG 3.38Å; T242-W267 HydrophobicContact CG2-CH2 4.2Å; T242-V278 HydrophobicContact CG2-CG2 3.8Å |
| 243 | G | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | -177.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y230 L231 E249 | Y230-G243 WeakPolarHBondContact CA-O 2.99Å; L231-G243 PolarHBondContact N-O 2.91Å; L231-G243 PolarHBondContact O-N 2.83Å; G243-E249 CarbonylContact C-O 3.5Å; G243-E249 VanDerWaalsContact CA-O 3.31Å; G243-E249 WeakPolarHBondContact CA-O 3.26Å |
| 244 | L | 92.4 | Very high | 91.4 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 19% | 0.194 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 140 | 167.4 | -65.1 | -177.3 | 0 | 0 | 0 | 109.8 | Y230 N246 L247 E249 | Y230-L244 HydrophobicContact CD1-CD2 3.82Å; Y230-L244 HydrophobicContact CE1-CD2 3.52Å; L244-N246 WeakPolarHBondContact CB-OD1 3.33Å; L244-N246 PolarHBondContact O-N 3.43Å; L244-L247 WeakPolarHBondContact O-CA 3.36Å; L244-L247 PolarHBondContact O-N 3Å; L244-E249 HydrophobicContact CB-CB 4.46Å; L244-E249 HydrophobicContact CD1-CB 3.74Å; L244-E249 WeakPolarHBondContact CD1-OE2 3.45Å; L244-E249 HydrophobicContact CG-CB 3.98Å; L244-E249 PolarHBondContact N-O 3.25Å |
| 245 | S | 91.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.5 | -179.4 | 54 | 0 | 0 | 0 | 0 | 114.3 | Q182 Y228 K229 L247 | Q182-S245 PolarHBondContact NE2-OG 2.95Å; Y228-S245 PolarHBondContact O-OG 2.8Å; K229-S245 WeakPolarHBondContact CA-OG 3.44Å; K229-S245 WeakPolarHBondContact O-CB 3.45Å; K229-S245 PolarHBondContact O-N 3.28Å; K229-S245 PolarHBondContact O-OG 3.24Å; S245-L247 PolarHBondContact O-N 2.78Å |
| 246 | N | 89.3 | Confident | 91 | Very high | 63 Ų | 63 | 45 Ų | 45 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 0.6 | 169.2 | 68 | -0.7 | 0 | 0 | 0 | 112.9 | L244 Q248 | L244-N246 WeakPolarHBondContact CB-OD1 3.33Å; L244-N246 PolarHBondContact O-N 3.43Å; N246-Q248 HydrophobicContact CB-CG 4.36Å; N246-Q248 VanDerWaalsContact ND2-CD 3.27Å; N246-Q248 PolarHBondContact ND2-OE1 2.94Å; N246-Q248 PolarHBondContact O-N 2.99Å; N246-Q248 WeakPolarHBondContact OD1-CB 3.26Å; N246-Q248 PolarHBondContact OD1-N 2.94Å; N246-Q248 VanDerWaalsContact OD1-N 3.08Å |
| 247 | L | 88.4 | Confident | 90.9 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 58.4 | 23.7 | 179.7 | -58.5 | 171.5 | 0 | 0 | 0 | 114.2 | L196 V207 P209 P210 L231 W241 L244 S245 | L196-L247 HydrophobicContact CD2-CD1 4.03Å; L196-L247 HydrophobicContact CD2-CD2 4.42Å; V207-L247 HydrophobicContact CB-CD1 3.7Å; V207-L247 HydrophobicContact CG1-CD1 4.38Å; V207-L247 HydrophobicContact CG2-CD1 3.41Å; V207-L247 VanDerWaalsContact CG2-CD1 3.41Å; P209-L247 HydrophobicContact CB-CD2 4.44Å; P210-L247 WeakPolarHBondContact CD-O 3.33Å; P210-L247 WeakPolarHBondContact CG-O 3.33Å; L231-L247 HydrophobicContact CD2-CD2 3.74Å; W241-L247 HydrophobicContact CH2-CD2 3.89Å; W241-L247 HydrophobicContact CZ3-CD2 4.3Å; L244-L247 WeakPolarHBondContact O-CA 3.36Å; L244-L247 PolarHBondContact O-N 3Å; S245-L247 PolarHBondContact O-N 2.78Å |
| 248 | Q | 88.6 | Confident | 90.8 | Very high | 155 Ų | 155 | 50 Ų | 50 | 72% | 0.724 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -88.7 | -27.3 | 178.2 | -67 | -179.4 | -13.8 | 0 | 0 | 113 | N246 | N246-Q248 HydrophobicContact CB-CG 4.36Å; N246-Q248 VanDerWaalsContact ND2-CD 3.27Å; N246-Q248 PolarHBondContact ND2-OE1 2.94Å; N246-Q248 PolarHBondContact O-N 2.99Å; N246-Q248 WeakPolarHBondContact OD1-CB 3.26Å; N246-Q248 PolarHBondContact OD1-N 2.94Å; N246-Q248 VanDerWaalsContact OD1-N 3.08Å |
| 249 | E | 90.1 | Very high | 90.6 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | trans | -138.7 | 133.9 | -172.8 | -170.6 | -178.4 | 173.3 | 0 | 0 | 110.9 | G243 L244 | G243-E249 CarbonylContact C-O 3.5Å; G243-E249 VanDerWaalsContact CA-O 3.31Å; G243-E249 WeakPolarHBondContact CA-O 3.26Å; L244-E249 HydrophobicContact CB-CB 4.46Å; L244-E249 HydrophobicContact CD1-CB 3.74Å; L244-E249 WeakPolarHBondContact CD1-OE2 3.45Å; L244-E249 HydrophobicContact CG-CB 3.98Å; L244-E249 PolarHBondContact N-O 3.25Å | ||
| 250 | R | 91.8 | Very high | 90.6 | Very high | 118 Ų | 118 | 52.6 Ų | 52.6 | 45% | 0.445 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.8 | 171.5 | -179 | -178.2 | 72.3 | 164.9 | 7.7 | 109.4 | P210 G211 W241 E253 | P210-R250 HydrophobicContact CG-CB 4.41Å; P210-R250 WeakPolarHBondContact O-CB 3.34Å; P210-R250 WeakPolarHBondContact O-CD 3.4Å; G211-R250 PolarHBondContact O-NH1 3.29Å; W241-R250 HydrophobicContact CZ2-CB 4.26Å; W241-R250 HydrophobicContact CZ2-CG 4.39Å; R250-E253 IonicContact NH1-OE2 3.71Å |
| 251 | L | 89.3 | Confident | 90.5 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -53.5 | 172.1 | -65.6 | 176.7 | 0 | 0 | 0 | 111.1 | Y230 T242 P276 | Y230-L251 HydrophobicContact CD1-CD1 3.58Å; Y230-L251 HydrophobicContact CE1-CD1 3.86Å; T242-L251 WeakPolarHBondContact O-CB 3.08Å; T242-L251 PolarHBondContact O-N 2.77Å; L251-P276 HydrophobicContact CD1-CG 4.22Å |
| 252 | S | 90.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 160.7 | 178.8 | 68.2 | 0 | 0 | 0 | 0 | 113.2 | T242 G290 | T242-S252 PolarHBondContact N-O 2.9Å; T242-S252 PolarHBondContact O-N 3.21Å; T242-S252 VanDerWaalsContact O-N 3.14Å; T242-S252 PolarHBondContact OG1-N 2.97Å; T242-S252 PolarHBondContact OG1-OG 3.38Å; S252-G290 PolarHBondContact OG-O 3Å |
| 253 | E | 91.1 | Very high | 90.4 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 118.4 | 164.1 | -177.5 | -174.3 | 151.1 | 0 | 0 | 107.4 | S213 R239 L240 R250 | S213-E253 WeakPolarHBondContact CB-OE1 3.22Å; S213-E253 PolarHBondContact N-OE2 2.78Å; R239-E253 WeakPolarHBondContact CD-OE1 3.46Å; R239-E253 IonicContact CZ-OE1 2.68Å; R239-E253 IonicContact NE-OE1 2.77Å; R239-E253 IonicContact NH1-OE1 3.09Å; R239-E253 PolarHBondContact NH1-OE1 3.27Å; L240-E253 CarbonylContact O-C 3.58Å; L240-E253 WeakPolarHBondContact O-CA 3.24Å; R250-E253 IonicContact NH1-OE2 3.71Å |
| 254 | V | 90.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.3 | -174.9 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | L240 V289 C292 | L240-V254 PolarHBondContact N-O 3.17Å; L240-V254 PolarHBondContact O-N 3.31Å; V254-V289 HydrophobicContact CB-CG1 3.73Å; V254-V289 HydrophobicContact CG1-CG1 3.78Å; V254-V289 HydrophobicContact CG2-CG1 3.94Å; V254-C292 WeakPolarHBondContact CG2-O 3.48Å |
| 255 | D | 90.3 | Very high | 90.7 | Very high | 86 Ų | 86 | 64 Ų | 64 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 114 | 170.8 | -175 | -11.1 | 0 | 0 | 0 | 109.6 | K257 | D255-K257 PolarHBondContact O-N 3.07Å; D255-K257 PolarHBondContact OD1-N 3.46Å |
| 256 | T | 89.7 | Confident | 90.9 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | trans | -78.3 | -9.2 | -178.1 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | F234 G238 L240 Q258 L287 V289 | F234-T256 HydrophobicContact CE2-CG2 3.97Å; G238-T256 WeakPolarHBondContact O-CB 3.43Å; G238-T256 PolarHBondContact O-N 3.5Å; G238-T256 PolarHBondContact O-OG1 2.73Å; L240-T256 HydrophobicContact CB-CG2 4.02Å; T256-Q258 PolarHBondContact O-N 2.92Å; T256-Q258 VanDerWaalsContact O-N 3.14Å; T256-Q258 PolarHBondContact OG1-N 3.34Å; T256-Q258 PolarHBondContact OG1-O 3Å; T256-L287 HydrophobicContact CG2-CD2 4.04Å; T256-V289 HydrophobicContact CG2-CG2 4.28Å | ||
| 257 | K | 88.4 | Confident | 91.1 | Very high | 186 Ų | 186 | 62.1 Ų | 62.1 | 81% | 0.809 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 59.1 | 14.6 | -171.5 | -51.5 | 176.6 | -178.1 | 174.3 | 0 | 113.7 | D255 | D255-K257 PolarHBondContact O-N 3.07Å; D255-K257 PolarHBondContact OD1-N 3.46Å |
| 258 | Q | 87.3 | Confident | 91.3 | Very high | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | trans | -120 | 113.2 | 177.3 | -64.1 | -62.7 | -28.8 | 0 | 0 | 108.4 | F234 G238 T256 W282 | F234-Q258 WeakPolarHBondContact CZ-O 3.13Å; G238-Q258 WeakPolarHBondContact CA-O 2.98Å; T256-Q258 PolarHBondContact O-N 2.92Å; T256-Q258 VanDerWaalsContact O-N 3.14Å; T256-Q258 PolarHBondContact OG1-N 3.34Å; T256-Q258 PolarHBondContact OG1-O 3Å; Q258-W282 HydrophobicContact CB-CH2 3.91Å; Q258-W282 HydrophobicContact CB-CZ2 3.66Å; Q258-W282 HydrophobicContact CG-CH2 4.14Å; Q258-W282 HydrophobicContact CG-CZ2 4.26Å; Q258-W282 HydrophobicContact CG-CZ3 4.44Å | ||
| 259 | A | 86 | Confident | 91.3 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 56% | 0.562 | 28% | 0.281 | S | S | * | . | trans | -85.5 | -16.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 260 | A | 92 | Very high | 91 | Very high | 58 Ų | 58 | 52.7 Ų | 52.7 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69.5 | 137.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W282 | A260-W282 PolarHBondContact O-NE1 2.53Š|
| 261 | T | 91.8 | Very high | 90.4 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 45% | 0.454 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 129.4 | 175.4 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | V220 H221 | V220-T261 HydrophobicContact CB-CG2 4.25Å; V220-T261 HydrophobicContact CG2-CG2 3.97Å; H221-T261 HydrophobicContact CB-CG2 4.39Å |
| 262 | P | 94.3 | Very high | 90 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.032 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.9 | 175.3 | 29.5 | -37.7 | 0 | 0 | 0 | 110.5 | H221 F234 L280 M281 W282 | H221-P262 HydrophobicContact CB-CG 4.19Å; H221-P262 PolarHBondContact CD2-O 3.34Å; F234-P262 HydrophobicContact CD1-CG 4.12Å; F234-P262 VanDerWaalsContact CE1-CD 3.41Å; F234-P262 HydrophobicContact CE1-CG 4.44Å; F234-P262 HydrophobicContact CG-CG 4.3Å; P262-L280 HydrophobicContact CB-CB 4.29Å; P262-L280 HydrophobicContact CB-CD2 4.42Å; P262-L280 HydrophobicContact CG-CD2 4.19Å; P262-M281 CarbonylContact C-O 3.53Å; P262-W282 HydrophobicContact CB-CD2 4.48Å; P262-W282 HydrophobicContact CB-CZ2 4.12Å |
| 263 | R | 92.5 | Very high | 89.6 | Confident | 134 Ų | 134 | 58 Ų | 58 | 51% | 0.506 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -68.6 | -40 | 173.8 | -78.7 | -168.8 | 156.6 | 164 | 11.5 | 112.4 | M281 D283 | R263-M281 HydrophobicContact CB-CE 4.29Å; R263-M281 PolarHBondContact N-O 3.3Å; R263-D283 IonicContact CZ-OD1 4Å; R263-D283 IonicContact CZ-OD2 2.74Å; R263-D283 IonicContact NE-OD1 2.83Å; R263-D283 IonicContact NH1-OD1 2.83Å; R263-D283 PolarHBondContact NH1-OD1 2.67Å; R263-D283 IonicContact NH2-OD1 2.79Å; R263-D283 PolarHBondContact NH2-OD1 3.41Å; R263-D283 IonicContact NH2-OD2 3.84Å |
| 264 | Q | 94.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 60 Ų | 60 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 146.5 | 174.6 | -65.5 | -174.6 | -50.6 | 0 | 0 | 109.3 | M281 L306 | Q264-M281 HydrophobicContact CB-CE 4.05Å; Q264-M281 HydrophobicContact CG-CE 3.93Å; Q264-M281 PolarHBondContact O-N 2.69Å; Q264-L306 HydrophobicContact CB-CD1 4.41Å |
| 265 | M | 95.9 | Very high | 88.6 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.8 | 173.7 | -174.6 | 170 | 72.5 | 0 | 0 | 107.7 | H221 M222 S223 A232 F234 L240 V278 V279 L280 | H221-M265 HydrophobicContact CB-CE 4.48Å; M222-M265 VanDerWaalsContact C-CE 3.46Å; S223-M265 VanDerWaalsContact CB-O 3.3Å; S223-M265 WeakPolarHBondContact CB-O 3.44Å; S223-M265 VanDerWaalsContact N-CE 3.25Å; S223-M265 PolarHBondContact OG-O 3.2Å; S223-M265 VanDerWaalsContact OG-O 3.06Å; A232-M265 HydrophobicContact CB-CE 3.9Å; A232-M265 HydrophobicContact CB-SD 4.3Å; A232-M265 VanDerWaalsContact O-CE 3.23Å; A232-M265 WeakPolarHBondContact O-CE 3.42Å; F234-M265 HydrophobicContact CB-CE 4.42Å; F234-M265 HydrophobicContact CB-SD 3.96Å; L240-M265 HydrophobicContact CD1-SD 3.68Å; M265-V278 HydrophobicContact CG-CG1 3.43Å; M265-V278 VanDerWaalsContact CG-CG1 3.43Å; M265-V278 HydrophobicContact SD-CG1 4.04Å; M265-V279 WeakPolarHBondContact CA-O 3.36Å; M265-L280 HydrophobicContact CG-CG 4.27Å; M265-L280 HydrophobicContact SD-CD2 4.22Å; M265-L280 HydrophobicContact SD-CG 4.46Å |
| 266 | V | 95.6 | Very high | 88.3 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 13% | 0.127 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.4 | -173 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | V279 L306 V313 | V266-V279 PolarHBondContact N-O 2.73Å; V266-V279 PolarHBondContact O-N 3.26Å; V266-L306 HydrophobicContact CG2-CB 3.77Å; V266-L306 HydrophobicContact CG2-CD1 4.24Å; V266-V313 HydrophobicContact CB-CG2 4.35Å; V266-V313 HydrophobicContact CG1-CG1 4.41Å; V266-V313 HydrophobicContact CG1-CG2 3.87Å |
| 267 | W | 94.9 | Very high | 88.5 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 133.3 | 175.1 | -79.7 | 85.8 | 0 | 0 | 0 | 111.9 | S223 V224 S225 Y230 L231 A232 T242 P276 V278 V313 | S223-W267 PolarHBondContact O-NE1 3.02Å; V224-W267 VanDerWaalsContact C-CD1 3.45Å; S225-W267 VanDerWaalsContact CA-CD1 3.4Å; S225-W267 VanDerWaalsContact N-CD1 3.28Å; Y230-W267 HydrophobicContact CG-CH2 4.35Å; L231-W267 VanDerWaalsContact C-CZ2 3.48Å; A232-W267 HydrophobicContact CB-CZ2 3.75Å; T242-W267 HydrophobicContact CG2-CH2 4.2Å; W267-P276 HydrophobicContact CZ3-CB 4.27Å; W267-V278 HydrophobicContact CD2-CG2 3.83Å; W267-V278 HydrophobicContact CE3-CG2 3.8Å; W267-V278 HydrophobicContact CG-CG2 4.5Å; W267-V278 HydrophobicContact CH2-CG2 3.97Å; W267-V278 HydrophobicContact CZ2-CG2 3.96Å; W267-V278 HydrophobicContact CZ3-CG2 3.87Å; W267-V313 WeakPolarHBondContact O-CG2 3.43Å |
| 268 | C | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 93.6 | 170 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | S277 V279 V313 L324 | C268-S277 PolarHBondContact N-O 2.97Å; C268-S277 PolarHBondContact O-N 2.86Å; C268-S277 PolarHBondContact O-OG 2.88Å; C268-V279 HydrophobicContact CB-CG2 3.51Å; C268-V313 HydrophobicContact CB-CG2 3.69Å; C268-L324 PolarHBondContact SG-O 3.34Å |
| 269 | R | 86.7 | Confident | 89.2 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | trans | -145.7 | 128 | -174.8 | -176.9 | 179.3 | -179.4 | -95.1 | 2.2 | 111.5 | Y230 P276 | Y230-R269 VanDerWaalsContact CE2-NH1 3.28Å; Y230-R269 PolarHBondContact OH-NH2 2.93Å; R269-P276 HydrophobicContact CG-CB 4.3Å | ||
| 270 | R | 85.1 | Confident | 89.7 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 12% | 0.121 | 20% | 0.201 | C | C | . | . | trans | -87.2 | 157 | 168.6 | 63 | -179.8 | -122 | 99 | 2 | 112.6 | R272 S273 D311 E326 | R270-R272 PolarHBondContact O-N 3.24Å; R270-S273 WeakPolarHBondContact O-CB 3.18Å; R270-S273 PolarHBondContact O-N 3.24Å; R270-D311 HydrophobicContact CB-CB 4.34Å; R270-E326 HydrophobicContact CG-CB 4.35Å; R270-E326 WeakPolarHBondContact CG-OE2 3.49Å | ||
| 271 | P | 79.4 | Confident | 89.9 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 132 | 163.7 | -23.8 | 34.6 | 0 | 0 | 0 | 110.5 | S273 T440 | P271-S273 PolarHBondContact O-N 3.19Å; P271-T440 HydrophobicContact CG-CG2 3.82Å |
| 272 | R | 79.4 | Confident | 90 | Very high | 219 Ų | 219 | 37 Ų | 37 | 83% | 0.826 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 32.2 | -174.4 | -49.7 | 177.7 | -176.4 | 166.4 | 0.5 | 113.9 | R270 | R270-R272 PolarHBondContact O-N 3.24Š|
| 273 | S | 81.9 | Confident | 89.6 | Confident | 18 Ų | 18 | 41.1 Ų | 41.1 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | trans | -53.3 | 136.6 | 166.6 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | R270 P271 Q275 E326 | R270-S273 WeakPolarHBondContact O-CB 3.18Å; R270-S273 PolarHBondContact O-N 3.24Å; P271-S273 PolarHBondContact O-N 3.19Å; S273-Q275 VanDerWaalsContact OG-C 3.27Å; S273-Q275 PolarHBondContact OG-N 3.45Å; S273-Q275 PolarHBondContact OG-O 2.96Å; S273-E326 WeakPolarHBondContact CA-OE2 3.44Å; S273-E326 WeakPolarHBondContact CB-OE2 3.46Å; S273-E326 PolarHBondContact OG-OE2 2.85Å | ||
| 274 | Q | 78.1 | Confident | 89.5 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 38% | 0.379 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -82 | -35.2 | 174.5 | -68.7 | -179.4 | -60.3 | 0 | 0 | 111.4 | E326 L329 | Q274-E326 PolarHBondContact N-OE1 2.78Å; Q274-L329 VanDerWaalsContact CD-CD2 3.42Å; Q274-L329 HydrophobicContact CG-CD1 4.15Å; Q274-L329 HydrophobicContact CG-CD2 4.5Å; Q274-L329 HydrophobicContact CG-CG 4.42Å |
| 275 | Q | 82.8 | Confident | 89.5 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -129.6 | 87.4 | -178.3 | -70.2 | -72.3 | -20.4 | 0 | 0 | 108.4 | A14 Y16 S273 S277 S291 | A14-Q275 HydrophobicContact CB-CB 3.79Å; A14-Q275 HydrophobicContact CB-CG 3.71Å; Y16-Q275 PolarHBondContact OH-O 2.79Å; S273-Q275 VanDerWaalsContact OG-C 3.27Å; S273-Q275 PolarHBondContact OG-N 3.45Å; S273-Q275 PolarHBondContact OG-O 2.96Å; Q275-S277 PolarHBondContact O-N 3.36Å; Q275-S291 PolarHBondContact OE1-OG 2.88Å |
| 276 | P | 84.8 | Confident | 89.4 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | trans | -60 | 127.2 | 177 | 26.8 | -34.2 | 0 | 0 | 0 | 109.2 | L251 W267 R269 | L251-P276 HydrophobicContact CD1-CG 4.22Å; W267-P276 HydrophobicContact CZ3-CB 4.27Å; R269-P276 HydrophobicContact CG-CB 4.3Å | ||
| 277 | S | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 159.9 | -175.7 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | Y16 C268 Q275 V289 | Y16-S277 WeakPolarHBondContact CE1-OG 3.46Å; Y16-S277 WeakPolarHBondContact OH-CB 3.48Å; Y16-S277 PolarHBondContact OH-OG 2.98Å; C268-S277 PolarHBondContact N-O 2.97Å; C268-S277 PolarHBondContact O-N 2.86Å; C268-S277 PolarHBondContact O-OG 2.88Å; Q275-S277 PolarHBondContact O-N 3.36Å; S277-V289 CarbonylContact C-O 3.58Å; S277-V289 WeakPolarHBondContact CA-O 3.49Å; S277-V289 VanDerWaalsContact CB-O 3.22Å; S277-V289 WeakPolarHBondContact CB-O 3.43Å |
| 278 | V | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.3 | 174.6 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | A232 L240 T242 M265 W267 L280 V289 | A232-V278 HydrophobicContact CB-CG1 4.15Å; A232-V278 HydrophobicContact CB-CG2 3.74Å; L240-V278 HydrophobicContact CD1-CG1 4.47Å; L240-V278 HydrophobicContact CD2-CB 4.06Å; L240-V278 HydrophobicContact CD2-CG1 4.49Å; L240-V278 HydrophobicContact CD2-CG2 4.48Å; T242-V278 HydrophobicContact CG2-CG2 3.8Å; M265-V278 HydrophobicContact CG-CG1 3.43Å; M265-V278 VanDerWaalsContact CG-CG1 3.43Å; M265-V278 HydrophobicContact SD-CG1 4.04Å; W267-V278 HydrophobicContact CD2-CG2 3.83Å; W267-V278 HydrophobicContact CE3-CG2 3.8Å; W267-V278 HydrophobicContact CG-CG2 4.5Å; W267-V278 HydrophobicContact CH2-CG2 3.97Å; W267-V278 HydrophobicContact CZ2-CG2 3.96Å; W267-V278 HydrophobicContact CZ3-CG2 3.87Å; V278-L280 HydrophobicContact CG1-CD1 4.34Å; V278-V289 PolarHBondContact N-O 2.81Å; V278-V289 PolarHBondContact O-N 2.91Å |
| 279 | V | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.5 | 178.1 | -174.4 | 0 | 0 | 0 | 0 | 108 | M265 V266 C268 L286 L287 V288 L306 V313 L324 | M265-V279 WeakPolarHBondContact CA-O 3.36Å; V266-V279 PolarHBondContact N-O 2.73Å; V266-V279 PolarHBondContact O-N 3.26Å; C268-V279 HydrophobicContact CB-CG2 3.51Å; V279-L286 HydrophobicContact CG1-CD1 3.51Å; V279-L286 HydrophobicContact CG1-CD2 4.03Å; V279-L286 HydrophobicContact CG1-CG 3.66Å; V279-L287 CarbonylContact C-O 3.46Å; V279-L287 WeakPolarHBondContact CA-O 3.19Å; V279-V288 HydrophobicContact CG2-CG1 4.48Å; V279-V288 HydrophobicContact CG2-CG2 4.39Å; V279-L306 HydrophobicContact CB-CD1 4.39Å; V279-L306 HydrophobicContact CG1-CD1 3.86Å; V279-V313 HydrophobicContact CG2-CG2 4.05Å; V279-L324 HydrophobicContact CG1-CD2 4.11Å; V279-L324 HydrophobicContact CG2-CD2 3.65Å |
| 280 | L | 96.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.6 | 176.3 | -59.1 | 94.1 | 0 | 0 | 0 | 108.9 | F234 L240 P262 M265 V278 W282 L286 L287 V289 | F234-L280 HydrophobicContact CD2-CD2 3.54Å; F234-L280 HydrophobicContact CE2-CD2 3.79Å; F234-L280 HydrophobicContact CG-CD2 4.28Å; L240-L280 HydrophobicContact CD1-CD2 4.4Å; L240-L280 HydrophobicContact CD2-CD1 3.97Å; P262-L280 HydrophobicContact CB-CB 4.29Å; P262-L280 HydrophobicContact CB-CD2 4.42Å; P262-L280 HydrophobicContact CG-CD2 4.19Å; M265-L280 HydrophobicContact CG-CG 4.27Å; M265-L280 HydrophobicContact SD-CD2 4.22Å; M265-L280 HydrophobicContact SD-CG 4.46Å; V278-L280 HydrophobicContact CG1-CD1 4.34Å; L280-W282 HydrophobicContact CB-CE3 4.29Å; L280-W282 HydrophobicContact CB-CH2 3.66Å; L280-W282 HydrophobicContact CB-CZ3 3.52Å; L280-W282 HydrophobicContact CD2-CH2 3.87Å; L280-W282 HydrophobicContact CD2-CZ2 4.4Å; L280-W282 HydrophobicContact CG-CH2 4.34Å; L280-L286 WeakPolarHBondContact O-CA 3.4Å; L280-L287 HydrophobicContact CB-CB 4.45Å; L280-L287 PolarHBondContact N-O 2.77Å; L280-L287 PolarHBondContact O-N 2.79Å; L280-V289 HydrophobicContact CD1-CB 4.26Å; L280-V289 HydrophobicContact CD1-CG2 3.6Å |
| 281 | M | 95.6 | Very high | 89.7 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126 | -179.8 | -173.8 | 179.1 | 73.5 | 0 | 0 | 111.3 | P262 R263 Q264 L286 L300 S304 L306 | P262-M281 CarbonylContact C-O 3.53Å; R263-M281 HydrophobicContact CB-CE 4.29Å; R263-M281 PolarHBondContact N-O 3.3Å; Q264-M281 HydrophobicContact CB-CE 4.05Å; Q264-M281 HydrophobicContact CG-CE 3.93Å; Q264-M281 PolarHBondContact O-N 2.69Å; M281-L286 HydrophobicContact CB-CD1 4.06Å; M281-L286 HydrophobicContact CG-CD1 4.21Å; M281-L300 HydrophobicContact CG-CD1 3.73Å; M281-L300 HydrophobicContact SD-CD1 4.21Å; M281-S304 WeakPolarHBondContact CE-O 3.4Å; M281-S304 VanDerWaalsContact SD-O 3.36Å; M281-L306 HydrophobicContact CB-CD1 3.73Å; M281-L306 HydrophobicContact CB-CG 4.14Å; M281-L306 HydrophobicContact CE-CG 4.41Å; M281-L306 HydrophobicContact SD-CD1 4.44Å; M281-L306 HydrophobicContact SD-CD2 4.03Å; M281-L306 HydrophobicContact SD-CG 3.8Å |
| 282 | W | 93.8 | Very high | 89.9 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 10% | 0.095 | 17% | 0.171 | C | C | . | . | trans | -111.9 | -178.6 | 164.8 | -67.6 | -89.9 | 0 | 0 | 0 | 110.1 | F234 Q258 A260 P262 L280 R284 L285 L287 | F234-W282 HydrophobicContact CE2-CZ2 4.33Å; F234-W282 HydrophobicContact CZ-CZ2 4Å; Q258-W282 HydrophobicContact CB-CH2 3.91Å; Q258-W282 HydrophobicContact CB-CZ2 3.66Å; Q258-W282 HydrophobicContact CG-CH2 4.14Å; Q258-W282 HydrophobicContact CG-CZ2 4.26Å; Q258-W282 HydrophobicContact CG-CZ3 4.44Å; A260-W282 PolarHBondContact O-NE1 2.53Å; P262-W282 HydrophobicContact CB-CD2 4.48Å; P262-W282 HydrophobicContact CB-CZ2 4.12Å; L280-W282 HydrophobicContact CB-CE3 4.29Å; L280-W282 HydrophobicContact CB-CH2 3.66Å; L280-W282 HydrophobicContact CB-CZ3 3.52Å; L280-W282 HydrophobicContact CD2-CH2 3.87Å; L280-W282 HydrophobicContact CD2-CZ2 4.4Å; L280-W282 HydrophobicContact CG-CH2 4.34Å; W282-R284 PolarHBondContact O-N 3.41Å; W282-R284 VanDerWaalsContact O-N 3.15Å; W282-L285 HydrophobicContact CE3-CD2 4.3Å; W282-L285 HydrophobicContact CE3-CG 4.46Å; W282-L285 PolarHBondContact N-O 3.39Å; W282-L287 HydrophobicContact CH2-CD2 4.22Å; W282-L287 HydrophobicContact CZ3-CB 3.76Å; W282-L287 HydrophobicContact CZ3-CD2 4.08Å | ||
| 283 | D | 87.5 | Confident | 90.1 | Very high | 91 Ų | 91 | 33.8 Ų | 33.8 | 49% | 0.487 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -54.2 | -34.8 | -176.6 | -86.8 | -56.8 | 0 | 0 | 0 | 115 | R263 | R263-D283 IonicContact CZ-OD1 4Å; R263-D283 IonicContact CZ-OD2 2.74Å; R263-D283 IonicContact NE-OD1 2.83Å; R263-D283 IonicContact NH1-OD1 2.83Å; R263-D283 PolarHBondContact NH1-OD1 2.67Å; R263-D283 IonicContact NH2-OD1 2.79Å; R263-D283 PolarHBondContact NH2-OD1 3.41Å; R263-D283 IonicContact NH2-OD2 3.84Å |
| 284 | R | 89.3 | Confident | 90.4 | Very high | 207 Ų | 207 | 37.4 Ų | 37.4 | 78% | 0.781 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -134.2 | 6.4 | -174.6 | -62.2 | -170.4 | -179.4 | -158.9 | -1.1 | 114 | W282 L300 | W282-R284 PolarHBondContact O-N 3.41Å; W282-R284 VanDerWaalsContact O-N 3.15Å; R284-L300 PolarHBondContact O-N 2.83Å |
| 285 | L | 93.7 | Very high | 91 | Very high | 30 Ų | 30 | 36 Ų | 36 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 127.4 | -172.5 | 179.1 | 65.8 | 0 | 0 | 0 | 110.1 | W282 Q297 | W282-L285 HydrophobicContact CE3-CD2 4.3Å; W282-L285 HydrophobicContact CE3-CG 4.46Å; W282-L285 PolarHBondContact N-O 3.39Å; L285-Q297 HydrophobicContact CD1-CB 3.93Å; L285-Q297 HydrophobicContact CD1-CG 4.12Å |
| 286 | L | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.6 | 164.4 | -166.3 | 84.9 | 0 | 0 | 0 | 108.2 | V279 L280 M281 F298 L300 L306 I315 L324 | V279-L286 HydrophobicContact CG1-CD1 3.51Å; V279-L286 HydrophobicContact CG1-CD2 4.03Å; V279-L286 HydrophobicContact CG1-CG 3.66Å; L280-L286 WeakPolarHBondContact O-CA 3.4Å; M281-L286 HydrophobicContact CB-CD1 4.06Å; M281-L286 HydrophobicContact CG-CD1 4.21Å; L286-F298 HydrophobicContact CB-CB 4.17Å; L286-F298 HydrophobicContact CD2-CD2 4.01Å; L286-F298 PolarHBondContact N-O 2.88Å; L286-F298 PolarHBondContact O-N 2.82Å; L286-L300 HydrophobicContact CB-CD1 4.23Å; L286-L300 HydrophobicContact CB-CD2 4.22Å; L286-L300 HydrophobicContact CB-CG 4.15Å; L286-L306 HydrophobicContact CD1-CD1 4.03Å; L286-L306 HydrophobicContact CD1-CD2 3.74Å; L286-L306 HydrophobicContact CD1-CG 4.42Å; L286-I315 HydrophobicContact CD2-CD1 3.59Å; L286-L324 HydrophobicContact CD2-CD2 3.98Å |
| 287 | L | 95.6 | Very high | 92 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.8 | 180 | -171.2 | 73.3 | 0 | 0 | 0 | 109.6 | T256 V279 L280 W282 V289 T295 I296 Q297 | T256-L287 HydrophobicContact CG2-CD2 4.04Å; V279-L287 CarbonylContact C-O 3.46Å; V279-L287 WeakPolarHBondContact CA-O 3.19Å; L280-L287 HydrophobicContact CB-CB 4.45Å; L280-L287 PolarHBondContact N-O 2.77Å; L280-L287 PolarHBondContact O-N 2.79Å; W282-L287 HydrophobicContact CH2-CD2 4.22Å; W282-L287 HydrophobicContact CZ3-CB 3.76Å; W282-L287 HydrophobicContact CZ3-CD2 4.08Å; L287-V289 HydrophobicContact CD2-CG2 3.6Å; L287-V289 HydrophobicContact CG-CG2 3.72Å; L287-T295 HydrophobicContact CD1-CG2 4.35Å; L287-I296 CarbonylContact C-O 3.55Å; L287-I296 WeakPolarHBondContact CA-O 3.14Å; L287-Q297 HydrophobicContact CD1-CG 3.43Å; L287-Q297 VanDerWaalsContact CD1-CG 3.43Å |
| 288 | V | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.2 | 171 | -168.3 | 0 | 0 | 0 | 0 | 108.1 | L11 Y16 V279 T295 I296 F298 L324 | L11-V288 HydrophobicContact CD2-CG1 4.12Å; Y16-V288 HydrophobicContact CD1-CG1 4.18Å; Y16-V288 HydrophobicContact CE1-CG1 4.13Å; V279-V288 HydrophobicContact CG2-CG1 4.48Å; V279-V288 HydrophobicContact CG2-CG2 4.39Å; V288-T295 WeakPolarHBondContact O-CA 3.36Å; V288-I296 HydrophobicContact CB-CB 4.09Å; V288-I296 HydrophobicContact CG2-CB 4.32Å; V288-I296 PolarHBondContact N-O 2.91Å; V288-I296 PolarHBondContact O-N 3.01Å; V288-F298 HydrophobicContact CG2-CD2 4.3Å; V288-F298 HydrophobicContact CG2-CE2 3.93Å; V288-L324 HydrophobicContact CG2-CD1 4.48Å; V288-L324 HydrophobicContact CG2-CD2 3.67Å |
| 289 | V | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.7 | -177.9 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | L240 V254 T256 S277 V278 L280 L287 T295 | L240-V289 HydrophobicContact CD2-CB 3.6Å; L240-V289 HydrophobicContact CD2-CG1 3.63Å; L240-V289 HydrophobicContact CD2-CG2 4.12Å; V254-V289 HydrophobicContact CB-CG1 3.73Å; V254-V289 HydrophobicContact CG1-CG1 3.78Å; V254-V289 HydrophobicContact CG2-CG1 3.94Å; T256-V289 HydrophobicContact CG2-CG2 4.28Å; S277-V289 CarbonylContact C-O 3.58Å; S277-V289 WeakPolarHBondContact CA-O 3.49Å; S277-V289 VanDerWaalsContact CB-O 3.22Å; S277-V289 WeakPolarHBondContact CB-O 3.43Å; V278-V289 PolarHBondContact N-O 2.81Å; V278-V289 PolarHBondContact O-N 2.91Å; L280-V289 HydrophobicContact CD1-CB 4.26Å; L280-V289 HydrophobicContact CD1-CG2 3.6Å; L287-V289 HydrophobicContact CD2-CG2 3.6Å; L287-V289 HydrophobicContact CG-CG2 3.72Å; V289-T295 HydrophobicContact CG1-CG2 4.4Å; V289-T295 HydrophobicContact CG2-CG2 4.05Å |
| 290 | G | 89.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -95.8 | -162.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | S252 C292 | S252-G290 PolarHBondContact OG-O 3Å; G290-C292 VanDerWaalsContact C-N 3.29Å | ||
| 291 | S | 86.5 | Confident | 90.8 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 30% | 0.301 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -76.9 | -16.6 | 168.4 | 28.5 | 0 | 0 | 0 | 0 | 113.6 | Q275 | Q275-S291 PolarHBondContact OE1-OG 2.88Š|
| 292 | C | 84.4 | Confident | 90.1 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -86.6 | 170 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | V254 G290 D294 | V254-C292 WeakPolarHBondContact CG2-O 3.48Å; G290-C292 VanDerWaalsContact C-N 3.29Å; C292-D294 PolarHBondContact O-N 2.8Å |
| 293 | N | 83.3 | Confident | 89.8 | Confident | 138 Ų | 138 | 59.8 Ų | 59.8 | 74% | 0.738 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -77.1 | -8 | 175.4 | -70.9 | -24.6 | 0 | 0 | 0 | 113.4 | ||
| 294 | D | 87.1 | Confident | 90 | Very high | 94 Ų | 94 | 56.3 Ų | 56.3 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | trans | -75 | 151.7 | 175.9 | -59.4 | -37.7 | 0 | 0 | 0 | 110.2 | L11 C292 | L11-D294 HydrophobicContact CD1-CB 4.21Å; L11-D294 WeakPolarHBondContact CD1-O 3.43Å; C292-D294 PolarHBondContact O-N 2.8Å | ||
| 295 | T | 92.4 | Very high | 90.1 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.3 | 176.4 | 60.5 | 0 | 0 | 0 | 0 | 109.8 | L287 V288 V289 | L287-T295 HydrophobicContact CD1-CG2 4.35Å; V288-T295 WeakPolarHBondContact O-CA 3.36Å; V289-T295 HydrophobicContact CG1-CG2 4.4Å; V289-T295 HydrophobicContact CG2-CG2 4.05Å |
| 296 | I | 94.3 | Very high | 90.2 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130 | 171.7 | -56.9 | 161.6 | 0 | 0 | 0 | 108.3 | N9 P10 L11 Y16 L287 V288 F298 | N9-I296 HydrophobicContact CB-CD1 3.74Å; N9-I296 HydrophobicContact CB-CG1 4.06Å; N9-I296 HydrophobicContact CB-CG2 3.75Å; P10-I296 WeakPolarHBondContact O-CG1 3.34Å; L11-I296 HydrophobicContact CB-CD1 3.78Å; L11-I296 HydrophobicContact CB-CG1 4.27Å; L11-I296 HydrophobicContact CD1-CD1 4.44Å; L11-I296 HydrophobicContact CD1-CG1 4.21Å; L11-I296 HydrophobicContact CG-CD1 4.48Å; Y16-I296 HydrophobicContact CD2-CD1 4.03Å; Y16-I296 HydrophobicContact CG-CD1 4.06Å; L287-I296 CarbonylContact C-O 3.55Å; L287-I296 WeakPolarHBondContact CA-O 3.14Å; V288-I296 HydrophobicContact CB-CB 4.09Å; V288-I296 HydrophobicContact CG2-CB 4.32Å; V288-I296 PolarHBondContact N-O 2.91Å; V288-I296 PolarHBondContact O-N 3.01Å; I296-F298 HydrophobicContact CB-CE2 4.38Å; I296-F298 HydrophobicContact CG2-CD2 4.07Å; I296-F298 HydrophobicContact CG2-CE1 3.95Å; I296-F298 HydrophobicContact CG2-CE2 3.45Å; I296-F298 VanDerWaalsContact CG2-CE2 3.45Å; I296-F298 HydrophobicContact CG2-CZ 3.4Å; I296-F298 VanDerWaalsContact CG2-CZ 3.4Å |
| 297 | Q | 94.3 | Very high | 90.2 | Very high | 119 Ų | 119 | 47.2 Ų | 47.2 | 56% | 0.556 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.4 | 178.4 | -68.5 | -178.8 | 19.6 | 0 | 0 | 109.8 | L285 L287 | L285-Q297 HydrophobicContact CD1-CB 3.93Å; L285-Q297 HydrophobicContact CD1-CG 4.12Å; L287-Q297 HydrophobicContact CD1-CG 3.43Å; L287-Q297 VanDerWaalsContact CD1-CG 3.43Å |
| 298 | F | 93.5 | Very high | 90 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.3 | 169.2 | -57.3 | -73.7 | 0 | 0 | 0 | 109.5 | N9 K18 L286 V288 I296 L324 | N9-F298 HydrophobicContact CB-CZ 4.37Å; N9-F298 WeakPolarHBondContact ND2-CE1 3.32Å; K18-F298 HydrophobicContact CD-CD1 4.31Å; K18-F298 HydrophobicContact CD-CD2 4.2Å; K18-F298 HydrophobicContact CD-CE1 4.34Å; K18-F298 HydrophobicContact CD-CE2 4.22Å; K18-F298 HydrophobicContact CD-CG 4.2Å; K18-F298 HydrophobicContact CD-CZ 4.28Å; K18-F298 HydrophobicContact CG-CE2 4.39Å; K18-F298 HydrophobicContact CG-CZ 4.2Å; L286-F298 HydrophobicContact CB-CB 4.17Å; L286-F298 HydrophobicContact CD2-CD2 4.01Å; L286-F298 PolarHBondContact N-O 2.88Å; L286-F298 PolarHBondContact O-N 2.82Å; V288-F298 HydrophobicContact CG2-CD2 4.3Å; V288-F298 HydrophobicContact CG2-CE2 3.93Å; I296-F298 HydrophobicContact CB-CE2 4.38Å; I296-F298 HydrophobicContact CG2-CD2 4.07Å; I296-F298 HydrophobicContact CG2-CE1 3.95Å; I296-F298 HydrophobicContact CG2-CE2 3.45Å; I296-F298 VanDerWaalsContact CG2-CE2 3.45Å; I296-F298 HydrophobicContact CG2-CZ 3.4Å; I296-F298 VanDerWaalsContact CG2-CZ 3.4Å; F298-L324 HydrophobicContact CE2-CD1 4.01Å; F298-L324 HydrophobicContact CZ-CD1 4.47Å |
| 299 | P | 92.3 | Very high | 89.8 | Confident | 102 Ų | 102 | 48.4 Ų | 48.4 | 66% | 0.662 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 140.3 | 170.1 | 28.3 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 300 | L | 87.7 | Confident | 89.5 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | trans | -103.2 | 120.5 | 171.7 | -66.2 | 172.5 | 0 | 0 | 0 | 108.7 | M281 R284 L286 | M281-L300 HydrophobicContact CG-CD1 3.73Å; M281-L300 HydrophobicContact SD-CD1 4.21Å; R284-L300 PolarHBondContact O-N 2.83Å; L286-L300 HydrophobicContact CB-CD1 4.23Å; L286-L300 HydrophobicContact CB-CD2 4.22Å; L286-L300 HydrophobicContact CB-CG 4.15Å | ||
| 301 | E | 81.3 | Confident | 89.5 | Confident | 188 Ų | 188 | 50.2 Ų | 50.2 | 88% | 0.879 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -81.6 | -44 | 176.8 | -60.8 | -174.7 | 176.1 | 0 | 0 | 110.8 | ||
| 302 | D | 82.2 | Confident | 89.8 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -109.9 | 154.6 | -179 | -71.6 | -29.6 | 0 | 0 | 0 | 112.1 | S304 S319 | D302-S304 PolarHBondContact O-N 3.01Å; D302-S304 PolarHBondContact O-OG 3.35Å; D302-S304 VanDerWaalsContact O-OG 3.06Å; D302-S319 PolarHBondContact OD2-OG 2.81Å |
| 303 | Q | 85.9 | Confident | 90.4 | Very high | 55 Ų | 55 | 47 Ų | 47 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | trans | -59.5 | 130.8 | 167.5 | -72.5 | -162 | -9 | 0 | 0 | 110.2 | R33 | R33-Q303 VanDerWaalsContact CA-OE1 3.26Š| ||
| 304 | S | 91.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 12% | 0.119 | 22% | 0.219 | C | C | . | . | trans | -132.2 | 158.3 | -172.6 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | M281 D302 I316 | M281-S304 WeakPolarHBondContact CE-O 3.4Å; M281-S304 VanDerWaalsContact SD-O 3.36Å; D302-S304 PolarHBondContact O-N 3.01Å; D302-S304 PolarHBondContact O-OG 3.35Å; D302-S304 VanDerWaalsContact O-OG 3.06Å; S304-I316 CarbonylContact C-O 3.59Å; S304-I316 WeakPolarHBondContact CA-O 3.49Å | ||
| 305 | V | 92.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.8 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 109 | L32 I37 I316 | L32-V305 HydrophobicContact CD1-CG2 4.15Å; I37-V305 HydrophobicContact CB-CG2 4.39Å; I37-V305 HydrophobicContact CD1-CG2 3.77Å; I37-V305 HydrophobicContact CG2-CG2 4.34Å; V305-I316 PolarHBondContact N-O 3.16Å; V305-I316 PolarHBondContact O-N 3.33Å |
| 306 | L | 95 | Very high | 91.4 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.4 | 175.6 | -57.1 | -170.1 | 0 | 0 | 0 | 111.3 | Q264 V266 V279 M281 L286 V313 R314 I315 | Q264-L306 HydrophobicContact CB-CD1 4.41Å; V266-L306 HydrophobicContact CG2-CB 3.77Å; V266-L306 HydrophobicContact CG2-CD1 4.24Å; V279-L306 HydrophobicContact CB-CD1 4.39Å; V279-L306 HydrophobicContact CG1-CD1 3.86Å; M281-L306 HydrophobicContact CB-CD1 3.73Å; M281-L306 HydrophobicContact CB-CG 4.14Å; M281-L306 HydrophobicContact CE-CG 4.41Å; M281-L306 HydrophobicContact SD-CD1 4.44Å; M281-L306 HydrophobicContact SD-CD2 4.03Å; M281-L306 HydrophobicContact SD-CG 3.8Å; L286-L306 HydrophobicContact CD1-CD1 4.03Å; L286-L306 HydrophobicContact CD1-CD2 3.74Å; L286-L306 HydrophobicContact CD1-CG 4.42Å; L306-V313 HydrophobicContact CB-CG1 3.97Å; L306-V313 HydrophobicContact CD1-CG1 4.46Å; L306-V313 HydrophobicContact CD2-CG1 4.03Å; L306-V313 HydrophobicContact CG-CG1 4.38Å; L306-R314 WeakPolarHBondContact CA-O 3.45Å; L306-I315 HydrophobicContact CD2-CB 4.36Å; L306-I315 HydrophobicContact CD2-CG1 3.8Å; L306-I315 HydrophobicContact CD2-CG2 4.26Å |
| 307 | V | 94.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 10% | 0.097 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 116 | 175.5 | -174.1 | 0 | 0 | 0 | 0 | 108 | A39 V313 R314 I316 | A39-V307 HydrophobicContact CB-CB 4.5Å; A39-V307 HydrophobicContact CB-CG1 4.24Å; A39-V307 HydrophobicContact CB-CG2 3.5Å; A39-V307 VanDerWaalsContact CB-CG2 3.5Å; V307-V313 WeakPolarHBondContact O-CA 3.15Å; V307-R314 HydrophobicContact CB-CB 4.23Å; V307-R314 PolarHBondContact N-O 3.25Å; V307-R314 PolarHBondContact O-N 3.45Å; V307-I316 HydrophobicContact CG2-CD1 3.69Å |
| 308 | G | 92.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 29.3 Ų | 29.3 | 24% | 0.237 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F226 | F226-G308 WeakPolarHBondContact CD2-O 3.42Å; F226-G308 WeakPolarHBondContact CE2-O 3.48Å |
| 309 | E | 91.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | trans | -115.8 | 174.6 | 175.1 | -64 | -65.2 | 173.1 | 0 | 0 | 110.6 | Y42 D311 G312 R314 | Y42-E309 WeakPolarHBondContact CA-OE2 3.5Å; Y42-E309 PolarHBondContact N-OE1 2.98Å; Y42-E309 PolarHBondContact N-OE2 3.06Å; E309-D311 PolarHBondContact O-N 3.24Å; E309-G312 WeakPolarHBondContact CA-O 3.5Å; E309-G312 WeakPolarHBondContact CB-O 3.5Å; E309-G312 PolarHBondContact N-O 3.39Å; E309-R314 HydrophobicContact CG-CG 4.09Å; E309-R314 IonicContact OE1-CZ 3.74Å; E309-R314 IonicContact OE1-NE 3.62Å; E309-R314 PolarHBondContact OE1-NE 3.06Å; E309-R314 IonicContact OE1-NH2 2.78Å; E309-R314 PolarHBondContact OE1-NH2 2.6Å | ||
| 310 | L | 87.8 | Confident | 90.9 | Very high | 30 Ų | 30 | 27.4 Ų | 27.4 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -60.7 | -31.9 | -179.5 | -179.4 | 64.2 | 0 | 0 | 0 | 113.4 | F226 T440 Q441 A444 L445 | F226-L310 HydrophobicContact CD1-CB 4.21Å; F226-L310 HydrophobicContact CD1-CD1 3.99Å; F226-L310 HydrophobicContact CE1-CB 4.22Å; F226-L310 HydrophobicContact CE1-CD1 4.36Å; L310-T440 HydrophobicContact CD2-CG2 4.05Å; L310-Q441 HydrophobicContact CB-CG 4.18Å; L310-A444 HydrophobicContact CD2-CB 4.19Å; L310-L445 HydrophobicContact CD1-CD1 4.14Å; L310-L445 HydrophobicContact CD2-CD1 3.94Å |
| 311 | D | 89.8 | Confident | 91.2 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -134.5 | 10.9 | -168.2 | 58.9 | -33.7 | 0 | 0 | 0 | 113.8 | R270 E309 T438 T440 Q441 | R270-D311 HydrophobicContact CB-CB 4.34Å; E309-D311 PolarHBondContact O-N 3.24Å; D311-T438 VanDerWaalsContact CG-OG1 3.25Å; D311-T438 PolarHBondContact OD1-OG1 3.32Å; D311-T438 WeakPolarHBondContact OD2-CB 3.43Å; D311-T438 WeakPolarHBondContact OD2-CG2 3.33Å; D311-T438 PolarHBondContact OD2-OG1 2.93Å; D311-T440 HydrophobicContact CB-CG2 4.2Å; D311-T440 WeakPolarHBondContact OD2-CB 3.23Å; D311-Q441 PolarHBondContact OD1-NE2 3.27Å |
| 312 | G | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 178.4 | -165.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | E309 L324 | E309-G312 WeakPolarHBondContact CA-O 3.5Å; E309-G312 WeakPolarHBondContact CB-O 3.5Å; E309-G312 PolarHBondContact N-O 3.39Å; G312-L324 CarbonylContact C-O 3.52Å; G312-L324 VanDerWaalsContact CA-O 3.24Å; G312-L324 WeakPolarHBondContact CA-O 3.36Å |
| 313 | V | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 125.2 | 176.5 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | V266 W267 C268 V279 L306 V307 L324 | V266-V313 HydrophobicContact CB-CG2 4.35Å; V266-V313 HydrophobicContact CG1-CG1 4.41Å; V266-V313 HydrophobicContact CG1-CG2 3.87Å; W267-V313 WeakPolarHBondContact O-CG2 3.43Å; C268-V313 HydrophobicContact CB-CG2 3.69Å; V279-V313 HydrophobicContact CG2-CG2 4.05Å; L306-V313 HydrophobicContact CB-CG1 3.97Å; L306-V313 HydrophobicContact CD1-CG1 4.46Å; L306-V313 HydrophobicContact CD2-CG1 4.03Å; L306-V313 HydrophobicContact CG-CG1 4.38Å; V307-V313 WeakPolarHBondContact O-CA 3.15Å; V313-L324 PolarHBondContact N-O 3.2Å; V313-L324 PolarHBondContact O-N 2.87Å |
| 314 | R | 95.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 1% | 0.011 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.5 | 168.6 | -71.2 | -171.4 | -68.3 | 145.6 | -4 | 109.6 | L21 A40 L306 V307 E309 E322 L323 | L21-R314 HydrophobicContact CD1-CG 4.21Å; A40-R314 PolarHBondContact O-NH2 3.22Å; L306-R314 WeakPolarHBondContact CA-O 3.45Å; V307-R314 HydrophobicContact CB-CB 4.23Å; V307-R314 PolarHBondContact N-O 3.25Å; V307-R314 PolarHBondContact O-N 3.45Å; E309-R314 HydrophobicContact CG-CG 4.09Å; E309-R314 IonicContact OE1-CZ 3.74Å; E309-R314 IonicContact OE1-NE 3.62Å; E309-R314 PolarHBondContact OE1-NE 3.06Å; E309-R314 IonicContact OE1-NH2 2.78Å; E309-R314 PolarHBondContact OE1-NH2 2.6Å; R314-E322 CarbonylContact C-O 3.58Å; R314-E322 VanDerWaalsContact CA-O 3.32Å; R314-E322 WeakPolarHBondContact CA-O 3.5Å; R314-L323 HydrophobicContact CG-CD1 4.2Å |
| 315 | I | 95.1 | Very high | 93 | Very high | 5 Ų | 5 | 13.7 Ų | 13.7 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 113.1 | 176.1 | -52.5 | 168.4 | 0 | 0 | 0 | 105.8 | K18 L286 L306 Q321 E322 L324 | K18-I315 HydrophobicContact CD-CD1 4.09Å; L286-I315 HydrophobicContact CD2-CD1 3.59Å; L306-I315 HydrophobicContact CD2-CB 4.36Å; L306-I315 HydrophobicContact CD2-CG1 3.8Å; L306-I315 HydrophobicContact CD2-CG2 4.26Å; I315-Q321 CarbonylContact O-C 3.54Å; I315-Q321 WeakPolarHBondContact O-CA 3.45Å; I315-E322 HydrophobicContact CB-CB 4.4Å; I315-E322 PolarHBondContact N-O 3.45Å; I315-E322 PolarHBondContact O-N 2.76Å; I315-L324 HydrophobicContact CD1-CB 4.06Å |
| 316 | I | 93.9 | Very high | 93 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.3 | -177.1 | -56.9 | 169 | 0 | 0 | 0 | 107.8 | M24 W26 A39 I46 S304 V305 V307 Q321 | M24-I316 HydrophobicContact CE-CG2 4.45Å; W26-I316 HydrophobicContact CH2-CG2 4.19Å; W26-I316 HydrophobicContact CZ2-CG2 3.94Å; A39-I316 HydrophobicContact CB-CD1 3.71Å; I46-I316 HydrophobicContact CD1-CD1 3.89Å; I46-I316 HydrophobicContact CD1-CG2 4.12Å; I46-I316 HydrophobicContact CG1-CD1 4.24Å; S304-I316 CarbonylContact C-O 3.59Å; S304-I316 WeakPolarHBondContact CA-O 3.49Å; V305-I316 PolarHBondContact N-O 3.16Å; V305-I316 PolarHBondContact O-N 3.33Å; V307-I316 HydrophobicContact CG2-CD1 3.69Å; I316-Q321 HydrophobicContact CG1-CG 3.96Å |
| 317 | S | 91.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 12.4 Ų | 12.4 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | trans | -109.9 | -175.7 | 173.9 | 80.9 | 0 | 0 | 0 | 0 | 111 | S319 S320 | S317-S319 PolarHBondContact O-N 2.84Å; S317-S319 PolarHBondContact OG-N 2.91Å; S317-S319 VanDerWaalsContact OG-N 3.13Å; S317-S319 PolarHBondContact OG-OG 2.9Å; S317-S320 PolarHBondContact N-O 3.11Å; S317-S320 PolarHBondContact OG-N 3.03Å; S317-S320 PolarHBondContact OG-O 3.26Å; S317-S320 VanDerWaalsContact OG-O 3.05Å; S317-S320 PolarHBondContact OG-OG 2.85Å | ||
| 318 | S | 89.6 | Confident | 92.8 | Very high | 25 Ų | 25 | 11.8 Ų | 11.8 | 18% | 0.175 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -68.4 | -21.5 | 171.5 | 39 | 0 | 0 | 0 | 0 | 113.9 | W26 | W26-S318 VanDerWaalsContact CD1-O 3.32Å; W26-S318 PolarHBondContact NE1-O 2.83Å |
| 319 | S | 90.4 | Very high | 92.7 | Very high | 55 Ų | 55 | 13.5 Ų | 13.5 | 39% | 0.385 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -119.3 | -32.1 | -167.9 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | M24 D302 S317 | M24-S319 PolarHBondContact N-O 3.49Å; D302-S319 PolarHBondContact OD2-OG 2.81Å; S317-S319 PolarHBondContact O-N 2.84Å; S317-S319 PolarHBondContact OG-N 2.91Å; S317-S319 VanDerWaalsContact OG-N 3.13Å; S317-S319 PolarHBondContact OG-OG 2.9Å |
| 320 | S | 92.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 14 Ų | 14 | 16% | 0.161 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.5 | -175.6 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | Y22 S317 | Y22-S320 CarbonylContact O-C 3.59Å; Y22-S320 WeakPolarHBondContact O-CA 3.48Å; S317-S320 PolarHBondContact N-O 3.11Å; S317-S320 PolarHBondContact OG-N 3.03Å; S317-S320 PolarHBondContact OG-O 3.26Å; S317-S320 VanDerWaalsContact OG-O 3.05Å; S317-S320 PolarHBondContact OG-OG 2.85Å |
| 321 | Q | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.1 | 167.3 | -172.1 | 179.9 | -81.6 | 0 | 0 | 109.5 | L21 Y22 M24 A68 I315 I316 | L21-Q321 WeakPolarHBondContact CA-O 3.47Å; L21-Q321 WeakPolarHBondContact CB-O 3.48Å; L21-Q321 HydrophobicContact CD1-CG 4.33Å; L21-Q321 PolarHBondContact N-O 2.86Å; Y22-Q321 PolarHBondContact N-O 2.78Å; Y22-Q321 PolarHBondContact O-N 3.02Å; M24-Q321 HydrophobicContact SD-CB 3.81Å; A68-Q321 PolarHBondContact O-OE1 2.9Å; I315-Q321 CarbonylContact O-C 3.54Å; I315-Q321 WeakPolarHBondContact O-CA 3.45Å; I316-Q321 HydrophobicContact CG1-CG 3.96Å |
| 322 | E | 94.7 | Very high | 93 | Very high | 49 Ų | 49 | 12.9 Ų | 12.9 | 23% | 0.229 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 151.8 | -179.5 | -55.8 | -177.4 | 151.9 | 0 | 0 | 111.2 | K18 T19 R314 I315 | K18-E322 IonicContact NZ-OE2 3.52Å; K18-E322 PolarHBondContact NZ-OE2 3.07Å; T19-E322 CarbonylContact O-C 3.45Å; T19-E322 WeakPolarHBondContact O-CA 3.41Å; R314-E322 CarbonylContact C-O 3.58Å; R314-E322 VanDerWaalsContact CA-O 3.32Å; R314-E322 WeakPolarHBondContact CA-O 3.5Å; I315-E322 HydrophobicContact CB-CB 4.4Å; I315-E322 PolarHBondContact N-O 3.45Å; I315-E322 PolarHBondContact O-N 2.76Å |
| 323 | L | 94.8 | Very high | 93 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.4 | 168.2 | -179.4 | 65.9 | 0 | 0 | 0 | 109.7 | K18 T19 L21 R314 Q325 Y388 T438 | K18-L323 WeakPolarHBondContact CA-O 3.37Å; T19-L323 PolarHBondContact N-O 3.19Å; T19-L323 PolarHBondContact O-N 3.34Å; L21-L323 HydrophobicContact CD1-CB 3.87Å; L21-L323 HydrophobicContact CD2-CB 4.02Å; L21-L323 HydrophobicContact CG-CB 3.95Å; R314-L323 HydrophobicContact CG-CD1 4.2Å; L323-Q325 HydrophobicContact CD2-CG 4.47Å; L323-Q325 HydrophobicContact CG-CB 4.41Å; L323-Q325 HydrophobicContact CG-CG 4.45Å; L323-Y388 HydrophobicContact CD2-CE2 3.87Å; L323-Y388 VanDerWaalsContact CD2-OH 3.26Å; L323-Y388 WeakPolarHBondContact CD2-OH 3.3Å; L323-T438 HydrophobicContact CD2-CG2 3.97Å |
| 324 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.5 | 166.9 | 175.6 | 63.9 | 0 | 0 | 0 | 108.9 | Y16 K18 C268 V279 L286 V288 F298 G312 V313 I315 | Y16-L324 HydrophobicContact CD1-CD1 4.35Å; K18-L324 HydrophobicContact CD-CD1 4.48Å; K18-L324 HydrophobicContact CG-CB 4.27Å; K18-L324 HydrophobicContact CG-CD1 3.72Å; C268-L324 PolarHBondContact SG-O 3.34Å; V279-L324 HydrophobicContact CG1-CD2 4.11Å; V279-L324 HydrophobicContact CG2-CD2 3.65Å; L286-L324 HydrophobicContact CD2-CD2 3.98Å; V288-L324 HydrophobicContact CG2-CD1 4.48Å; V288-L324 HydrophobicContact CG2-CD2 3.67Å; F298-L324 HydrophobicContact CE2-CD1 4.01Å; F298-L324 HydrophobicContact CZ-CD1 4.47Å; G312-L324 CarbonylContact C-O 3.52Å; G312-L324 VanDerWaalsContact CA-O 3.24Å; G312-L324 WeakPolarHBondContact CA-O 3.36Å; V313-L324 PolarHBondContact N-O 3.2Å; V313-L324 PolarHBondContact O-N 2.87Å; I315-L324 HydrophobicContact CD1-CB 4.06Å |
| 325 | Q | 93.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 3% | 0.028 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 151.3 | -179.1 | 59.7 | 179.5 | -14.4 | 0 | 0 | 111.6 | Y16 R17 L323 | Y16-Q325 WeakPolarHBondContact CA-O 3.19Å; R17-Q325 HydrophobicContact CG-CG 3.99Å; R17-Q325 PolarHBondContact N-O 2.94Å; R17-Q325 VanDerWaalsContact NE-NE2 3.11Å; R17-Q325 PolarHBondContact O-N 3.18Å; R17-Q325 VanDerWaalsContact O-N 3.07Å; L323-Q325 HydrophobicContact CD2-CG 4.47Å; L323-Q325 HydrophobicContact CG-CB 4.41Å; L323-Q325 HydrophobicContact CG-CG 4.45Å |
| 326 | E | 93.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 128.6 | 165.4 | -175.6 | -173.6 | 167.6 | 0 | 0 | 108.7 | A14 F15 Y16 R270 S273 Q274 P328 | A14-E326 HydrophobicContact CB-CG 4.24Å; F15-E326 CarbonylContact O-C 3.58Å; Y16-E326 HydrophobicContact CD1-CB 4.31Å; Y16-E326 HydrophobicContact CE1-CB 3.82Å; Y16-E326 HydrophobicContact CE2-CB 4.23Å; Y16-E326 HydrophobicContact CE2-CG 4.13Å; R270-E326 HydrophobicContact CG-CB 4.35Å; R270-E326 WeakPolarHBondContact CG-OE2 3.49Å; S273-E326 WeakPolarHBondContact CA-OE2 3.44Å; S273-E326 WeakPolarHBondContact CB-OE2 3.46Å; S273-E326 PolarHBondContact OG-OE2 2.85Å; Q274-E326 PolarHBondContact N-OE1 2.78Å; E326-P328 VanDerWaalsContact O-CD 3.32Å; E326-P328 WeakPolarHBondContact O-CD 3.46Å |
| 327 | V | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 120.3 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | W8 F15 R17 C331 Q332 | W8-V327 HydrophobicContact CD2-CG1 4.23Å; W8-V327 HydrophobicContact CD2-CG2 3.99Å; W8-V327 HydrophobicContact CE3-CG1 4.36Å; W8-V327 HydrophobicContact CG-CG2 4.11Å; W8-V327 HydrophobicContact CH2-CG1 3.77Å; W8-V327 HydrophobicContact CZ2-CG1 3.6Å; W8-V327 HydrophobicContact CZ3-CG1 4.15Å; F15-V327 HydrophobicContact CB-CB 4.12Å; F15-V327 HydrophobicContact CB-CG2 3.89Å; F15-V327 WeakPolarHBondContact O-CG2 3.43Å; F15-V327 PolarHBondContact O-N 3.01Å; R17-V327 HydrophobicContact CB-CG2 3.94Å; R17-V327 HydrophobicContact CG-CG2 3.84Å; V327-C331 HydrophobicContact CG1-CB 3.91Å; V327-Q332 HydrophobicContact CB-CG 4.1Å; V327-Q332 HydrophobicContact CG1-CG 3.68Å; V327-Q332 PolarHBondContact O-NE2 2.8Å |
| 328 | P | 91.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 142.4 | 177.9 | -26.8 | 37.2 | 0 | 0 | 0 | 111.9 | E326 V330 C331 Q332 H386 | E326-P328 VanDerWaalsContact O-CD 3.32Å; E326-P328 WeakPolarHBondContact O-CD 3.46Å; P328-V330 VanDerWaalsContact C-N 3.25Å; P328-V330 PolarHBondContact O-N 3.42Å; P328-C331 WeakPolarHBondContact O-CA 3.07Å; P328-C331 WeakPolarHBondContact O-CB 3.41Å; P328-C331 PolarHBondContact O-N 3.29Å; P328-Q332 PolarHBondContact O-N 3.14Å; P328-H386 HydrophobicContact CG-CB 3.92Å |
| 329 | L | 90.8 | Very high | 91.5 | Very high | 58 Ų | 58 | 32.5 Ų | 32.5 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -51.1 | -43.6 | -178.4 | -84.8 | 174.4 | 0 | 0 | 0 | 113.3 | Q274 C331 Q332 D333 | Q274-L329 VanDerWaalsContact CD-CD2 3.42Å; Q274-L329 HydrophobicContact CG-CD1 4.15Å; Q274-L329 HydrophobicContact CG-CD2 4.5Å; Q274-L329 HydrophobicContact CG-CG 4.42Å; L329-C331 VanDerWaalsContact C-N 3.29Å; L329-C331 PolarHBondContact O-N 2.82Å; L329-Q332 CarbonylContact O-C 3.54Å; L329-Q332 WeakPolarHBondContact O-CA 3.19Å; L329-Q332 VanDerWaalsContact O-CB 3.32Å; L329-Q332 WeakPolarHBondContact O-CB 3.44Å; L329-Q332 PolarHBondContact O-N 2.59Å; L329-D333 PolarHBondContact O-N 2.9Å |
| 330 | V | 92.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -34.7 | 179.7 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | P328 I334 Q379 E382 A383 | P328-V330 VanDerWaalsContact C-N 3.25Å; P328-V330 PolarHBondContact O-N 3.42Å; V330-I334 HydrophobicContact CG1-CD1 4.45Å; V330-I334 WeakPolarHBondContact O-CG1 3.39Å; V330-I334 PolarHBondContact O-N 3.4Å; V330-I334 VanDerWaalsContact O-N 3.14Å; V330-Q379 HydrophobicContact CG1-CB 3.76Å; V330-Q379 HydrophobicContact CG1-CG 4.03Å; V330-Q379 WeakPolarHBondContact CG1-O 3.22Å; V330-E382 HydrophobicContact CB-CG 4.41Å; V330-E382 HydrophobicContact CG1-CB 4.26Å; V330-E382 HydrophobicContact CG2-CG 4.07Å; V330-A383 HydrophobicContact CG1-CB 4.06Å |
| 331 | C | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68 | -39.3 | 172.2 | -63.8 | 0 | 0 | 0 | 0 | 111 | W8 V327 P328 L329 I334 F335 E387 | W8-C331 WeakPolarHBondContact CH2-O 3.48Å; V327-C331 HydrophobicContact CG1-CB 3.91Å; P328-C331 WeakPolarHBondContact O-CA 3.07Å; P328-C331 WeakPolarHBondContact O-CB 3.41Å; P328-C331 PolarHBondContact O-N 3.29Å; L329-C331 VanDerWaalsContact C-N 3.29Å; L329-C331 PolarHBondContact O-N 2.82Å; C331-I334 PolarHBondContact O-N 3.43Å; C331-F335 HydrophobicContact CB-CD2 4.3Å; C331-F335 WeakPolarHBondContact O-CB 3.41Å; C331-F335 WeakPolarHBondContact O-CD2 3.45Å; C331-F335 PolarHBondContact O-N 2.98Å; C331-E387 PolarHBondContact SG-OE1 3.13Å |
| 332 | Q | 91.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -48.7 | 174.1 | -58.3 | -178.2 | 36.1 | 0 | 0 | 111.2 | W8 F15 V327 P328 L329 I334 K336 | W8-Q332 HydrophobicContact CH2-CB 4.48Å; W8-Q332 HydrophobicContact CH2-CG 4.41Å; W8-Q332 HydrophobicContact CZ3-CB 4.2Å; W8-Q332 HydrophobicContact CZ3-CG 4.06Å; F15-Q332 HydrophobicContact CD2-CG 4.26Å; V327-Q332 HydrophobicContact CB-CG 4.1Å; V327-Q332 HydrophobicContact CG1-CG 3.68Å; V327-Q332 PolarHBondContact O-NE2 2.8Å; P328-Q332 PolarHBondContact O-N 3.14Å; L329-Q332 CarbonylContact O-C 3.54Å; L329-Q332 WeakPolarHBondContact O-CA 3.19Å; L329-Q332 VanDerWaalsContact O-CB 3.32Å; L329-Q332 WeakPolarHBondContact O-CB 3.44Å; L329-Q332 PolarHBondContact O-N 2.59Å; Q332-I334 PolarHBondContact O-N 3.45Å; Q332-K336 WeakPolarHBondContact O-CB 3.34Å; Q332-K336 PolarHBondContact O-N 2.85Å |
| 333 | D | 92.3 | Very high | 91.3 | Very high | 60 Ų | 60 | 34.2 Ų | 34.2 | 32% | 0.321 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.4 | -37.7 | 178.5 | -70.6 | -19.3 | 0 | 0 | 0 | 111.7 | L329 S339 A341 | L329-D333 PolarHBondContact O-N 2.9Å; D333-S339 VanDerWaalsContact O-CB 3.22Å; D333-S339 WeakPolarHBondContact O-CB 3.4Å; D333-S339 PolarHBondContact O-OG 3.45Å; D333-A341 HydrophobicContact CB-CB 3.77Å; D333-A341 VanDerWaalsContact O-CB 3.26Å; D333-A341 WeakPolarHBondContact O-CB 3.35Å |
| 334 | I | 92.9 | Very high | 91.3 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 5% | 0.046 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -83.3 | -45.1 | -178.1 | -64.6 | -177.9 | 0 | 0 | 0 | 113 | V330 C331 Q332 A344 L347 Q379 A383 L396 | V330-I334 HydrophobicContact CG1-CD1 4.45Å; V330-I334 WeakPolarHBondContact O-CG1 3.39Å; V330-I334 PolarHBondContact O-N 3.4Å; V330-I334 VanDerWaalsContact O-N 3.14Å; C331-I334 PolarHBondContact O-N 3.43Å; Q332-I334 PolarHBondContact O-N 3.45Å; I334-A344 WeakPolarHBondContact O-CB 3.2Å; I334-L347 HydrophobicContact CG2-CB 4.48Å; I334-L347 HydrophobicContact CG2-CD2 3.68Å; I334-Q379 HydrophobicContact CD1-CB 4.29Å; I334-A383 HydrophobicContact CD1-CB 3.54Å; I334-L396 HydrophobicContact CD1-CD2 4.01Å; I334-L396 HydrophobicContact CG2-CD2 3.94Å |
| 335 | F | 91.7 | Very high | 91.2 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -99.3 | -14.7 | -167.7 | -63.1 | -61.2 | 0 | 0 | 0 | 114.6 | I4 T5 W8 C331 I337 L347 E387 T392 L396 | I4-F335 HydrophobicContact CB-CD1 4.35Å; I4-F335 HydrophobicContact CB-CG 4.37Å; I4-F335 HydrophobicContact CD1-CD1 3.64Å; I4-F335 HydrophobicContact CD1-CE1 3.33Å; I4-F335 HydrophobicContact CD1-CE2 4.44Å; I4-F335 HydrophobicContact CD1-CG 4.32Å; I4-F335 HydrophobicContact CD1-CZ 3.76Å; I4-F335 HydrophobicContact CG2-CB 4.18Å; I4-F335 HydrophobicContact CG2-CD1 4.25Å; I4-F335 HydrophobicContact CG2-CD2 3.92Å; I4-F335 HydrophobicContact CG2-CE2 4.33Å; I4-F335 HydrophobicContact CG2-CG 3.87Å; T5-F335 HydrophobicContact CG2-CB 4.25Å; T5-F335 WeakPolarHBondContact CG2-O 3.31Å; W8-F335 HydrophobicContact CH2-CB 3.77Å; W8-F335 HydrophobicContact CZ2-CB 3.95Å; W8-F335 HydrophobicContact CZ2-CD2 4.49Å; C331-F335 HydrophobicContact CB-CD2 4.3Å; C331-F335 WeakPolarHBondContact O-CB 3.41Å; C331-F335 WeakPolarHBondContact O-CD2 3.45Å; C331-F335 PolarHBondContact O-N 2.98Å; F335-I337 PolarHBondContact O-N 3.1Å; F335-L347 HydrophobicContact CD1-CD2 4.47Å; F335-L347 HydrophobicContact CE1-CD2 3.91Å; F335-E387 HydrophobicContact CE2-CG 4.29Å; F335-T392 HydrophobicContact CE1-CG2 4.37Å; F335-T392 HydrophobicContact CE2-CG2 4.47Å; F335-T392 HydrophobicContact CZ-CG2 3.69Å; F335-L396 HydrophobicContact CE2-CD1 4.21Å; F335-L396 HydrophobicContact CZ-CD1 3.83Å; F335-L396 HydrophobicContact CZ-CD2 3.99Å; F335-L396 HydrophobicContact CZ-CG 4.14Å |
| 336 | K | 89.3 | Confident | 91.2 | Very high | 112 Ų | 112 | 34.5 Ų | 34.5 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -56 | 135.7 | 177.9 | -177.1 | 175.8 | -176.7 | 178.2 | 0 | 110.1 | Q332 A338 S339 | Q332-K336 WeakPolarHBondContact O-CB 3.34Å; Q332-K336 PolarHBondContact O-N 2.85Å; K336-A338 PolarHBondContact O-N 3.44Å; K336-S339 WeakPolarHBondContact O-CB 3.38Å; K336-S339 PolarHBondContact O-N 3.28Å |
| 337 | I | 84.4 | Confident | 91.2 | Very high | 124 Ų | 124 | 34.6 Ų | 34.6 | 64% | 0.636 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 132.2 | -177.9 | -60.9 | 173 | 0 | 0 | 0 | 109 | F335 S339 | F335-I337 PolarHBondContact O-N 3.1Å; I337-S339 PolarHBondContact O-N 2.92Å |
| 338 | A | 84.6 | Confident | 91.3 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 79% | 0.793 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 29 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K336 M340 | K336-A338 PolarHBondContact O-N 3.44Å; A338-M340 PolarHBondContact O-N 3.32Å |
| 339 | S | 87.7 | Confident | 91.3 | Very high | 28 Ų | 28 | 37.5 Ų | 37.5 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | trans | -67.1 | 131.7 | 171.3 | -173 | 0 | 0 | 0 | 0 | 111.3 | D333 K336 I337 A341 | D333-S339 VanDerWaalsContact O-CB 3.22Å; D333-S339 WeakPolarHBondContact O-CB 3.4Å; D333-S339 PolarHBondContact O-OG 3.45Å; K336-S339 WeakPolarHBondContact O-CB 3.38Å; K336-S339 PolarHBondContact O-N 3.28Å; I337-S339 PolarHBondContact O-N 2.92Å; S339-A341 WeakPolarHBondContact OG-CB 3.15Å; S339-A341 PolarHBondContact OG-N 3.48Å | ||
| 340 | M | 88.9 | Confident | 91.5 | Very high | 120 Ų | 120 | 35.4 Ų | 35.4 | 59% | 0.591 | 20% | 0.197 | S | C | * | . | trans | -103.5 | 18.2 | 172.4 | -61.8 | -62.3 | -67.9 | 0 | 0 | 111.4 | A338 L345 | A338-M340 PolarHBondContact O-N 3.32Å; M340-L345 HydrophobicContact CE-CD2 3.95Å; M340-L345 HydrophobicContact SD-CD2 4.15Å | ||
| 341 | A | 92 | Very high | 91.5 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | trans | -66 | 151.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | D333 S339 G343 A344 L345 | D333-A341 HydrophobicContact CB-CB 3.77Å; D333-A341 VanDerWaalsContact O-CB 3.26Å; D333-A341 WeakPolarHBondContact O-CB 3.35Å; S339-A341 WeakPolarHBondContact OG-CB 3.15Å; S339-A341 PolarHBondContact OG-N 3.48Å; A341-G343 VanDerWaalsContact C-N 3.3Å; A341-G343 PolarHBondContact O-N 3.36Å; A341-A344 WeakPolarHBondContact O-CB 3.05Å; A341-A344 PolarHBondContact O-N 3.01Å; A341-L345 PolarHBondContact O-N 3.39Å | ||
| 342 | P | 92.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 39 Ų | 39 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.5 | -42.8 | -176 | -26.6 | 34.5 | 0 | 0 | 0 | 113.6 | L345 L346 V372 A376 | P342-L345 PolarHBondContact O-N 2.82Å; P342-L346 WeakPolarHBondContact O-CB 3.05Å; P342-L346 PolarHBondContact O-N 3.35Å; P342-V372 HydrophobicContact CB-CB 4.23Å; P342-V372 HydrophobicContact CB-CG2 3.97Å; P342-V372 HydrophobicContact CG-CB 3.98Å; P342-V372 HydrophobicContact CG-CG2 3.84Å; P342-A376 VanDerWaalsContact C-CB 3.43Å; P342-A376 HydrophobicContact CB-CB 3.65Å; P342-A376 VanDerWaalsContact O-CB 3.28Å; P342-A376 WeakPolarHBondContact O-CB 3.19Å |
| 343 | G | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -34.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | A341 L346 L347 | A341-G343 VanDerWaalsContact C-N 3.3Å; A341-G343 PolarHBondContact O-N 3.36Å; G343-L346 PolarHBondContact O-N 3.45Å; G343-L347 WeakPolarHBondContact O-CB 3.47Å; G343-L347 PolarHBondContact O-N 3.4Å |
| 344 | A | 93.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 7% | 0.066 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -48.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I334 A341 L346 L347 E348 | I334-A344 WeakPolarHBondContact O-CB 3.2Å; A341-A344 WeakPolarHBondContact O-CB 3.05Å; A341-A344 PolarHBondContact O-N 3.01Å; A344-L346 VanDerWaalsContact C-N 3.3Å; A344-L346 PolarHBondContact O-N 3.35Å; A344-L347 PolarHBondContact O-N 3.48Å; A344-E348 PolarHBondContact O-N 3.27Å |
| 345 | L | 93.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177.3 | -63.6 | 176.9 | 0 | 0 | 0 | 111.5 | M340 A341 P342 E348 A349 Y363 I367 | M340-L345 HydrophobicContact CE-CD2 3.95Å; M340-L345 HydrophobicContact SD-CD2 4.15Å; A341-L345 PolarHBondContact O-N 3.39Å; P342-L345 PolarHBondContact O-N 2.82Å; L345-E348 PolarHBondContact O-N 3.12Å; L345-A349 VanDerWaalsContact O-CB 3.29Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 3.42Å; L345-Y363 HydrophobicContact CD2-CD1 4.06Å; L345-Y363 HydrophobicContact CD2-CE1 4.27Å; L345-I367 HydrophobicContact CB-CD1 3.64Å; L345-I367 HydrophobicContact CB-CG1 3.79Å; L345-I367 HydrophobicContact CD1-CG1 4.15Å |
| 346 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.6 | -178.5 | 61.7 | 0 | 0 | 0 | 112.4 | P342 G343 A344 A349 H350 I367 L373 A376 V377 F402 | P342-L346 WeakPolarHBondContact O-CB 3.05Å; P342-L346 PolarHBondContact O-N 3.35Å; G343-L346 PolarHBondContact O-N 3.45Å; A344-L346 VanDerWaalsContact C-N 3.3Å; A344-L346 PolarHBondContact O-N 3.35Å; L346-A349 PolarHBondContact O-N 2.77Å; L346-H350 WeakPolarHBondContact O-CB 3.37Å; L346-H350 PolarHBondContact O-N 3.28Å; L346-I367 HydrophobicContact CB-CD1 4.03Å; L346-L373 HydrophobicContact CD1-CD1 4.24Å; L346-A376 HydrophobicContact CB-CB 3.93Å; L346-A376 HydrophobicContact CD2-CB 3.82Å; L346-A376 HydrophobicContact CG-CB 4.48Å; L346-V377 HydrophobicContact CD2-CG2 3.88Å; L346-F402 HydrophobicContact CD1-CD1 4.07Å |
| 347 | L | 93.7 | Very high | 92 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.3 | -177.8 | 62.5 | 0 | 0 | 0 | 111.3 | I334 F335 G343 A344 H350 R351 L396 A399 | I334-L347 HydrophobicContact CG2-CB 4.48Å; I334-L347 HydrophobicContact CG2-CD2 3.68Å; F335-L347 HydrophobicContact CD1-CD2 4.47Å; F335-L347 HydrophobicContact CE1-CD2 3.91Å; G343-L347 WeakPolarHBondContact O-CB 3.47Å; G343-L347 PolarHBondContact O-N 3.4Å; A344-L347 PolarHBondContact O-N 3.48Å; L347-H350 PolarHBondContact O-N 3.26Å; L347-R351 WeakPolarHBondContact O-CG 3.27Å; L347-R351 PolarHBondContact O-N 2.63Å; L347-L396 HydrophobicContact CD1-CD2 4.34Å; L347-L396 HydrophobicContact CD2-CD2 4.08Å; L347-A399 HydrophobicContact CD1-CB 3.92Å |
| 348 | E | 92.7 | Very high | 92.3 | Very high | 65 Ų | 65 | 56 Ų | 56 | 30% | 0.304 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 174.8 | -69.7 | -53.6 | 139.7 | 0 | 0 | 112.3 | A344 L345 H350 R351 E352 Y363 | A344-E348 PolarHBondContact O-N 3.27Å; L345-E348 PolarHBondContact O-N 3.12Å; E348-H350 VanDerWaalsContact C-N 3.26Å; E348-H350 PolarHBondContact O-N 3.13Å; E348-R351 PolarHBondContact O-N 3.26Å; E348-R351 VanDerWaalsContact O-N 3.13Å; E348-R351 IonicContact OE1-CZ 3.17Å; E348-R351 IonicContact OE1-NH1 2.71Å; E348-R351 PolarHBondContact OE1-NH1 2.83Å; E348-E352 PolarHBondContact O-N 3.49Å; E348-Y363 HydrophobicContact CB-CE2 4.44Å |
| 349 | A | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56 | -43.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L345 L346 Y353 A360 F402 | L345-A349 VanDerWaalsContact O-CB 3.29Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 3.42Å; L346-A349 PolarHBondContact O-N 2.77Å; A349-Y353 VanDerWaalsContact O-CB 3.3Å; A349-Y353 WeakPolarHBondContact O-CB 3.2Å; A349-Y353 PolarHBondContact O-N 3.43Å; A349-A360 WeakPolarHBondContact O-CB 3.5Å; A349-F402 HydrophobicContact CB-CE1 4.22Å |
| 350 | H | 94.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 7% | 0.069 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 176.1 | -179.1 | 54.7 | 0 | 0 | 0 | 112.7 | L346 L347 E348 Y353 E354 R398 A399 F402 | L346-H350 WeakPolarHBondContact O-CB 3.37Å; L346-H350 PolarHBondContact O-N 3.28Å; L347-H350 PolarHBondContact O-N 3.26Å; E348-H350 VanDerWaalsContact C-N 3.26Å; E348-H350 PolarHBondContact O-N 3.13Å; H350-Y353 WeakPolarHBondContact O-CB 3.47Å; H350-Y353 PolarHBondContact O-N 3.36Å; H350-E354 IonicContact NE2-OE1 2.63Å; H350-E354 PolarHBondContact O-N 2.9Å; H350-R398 VanDerWaalsContact NE2-CB 3.29Å; H350-R398 WeakPolarHBondContact NE2-CB 3.39Å; H350-A399 HydrophobicContact CB-CB 3.8Å; H350-F402 HydrophobicContact CB-CD1 4.25Å |
| 351 | R | 92.6 | Very high | 92.7 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 25% | 0.249 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176 | -75 | 171.8 | 173.3 | 173.9 | -0.7 | 112.3 | L347 E348 Y353 E354 K355 | L347-R351 WeakPolarHBondContact O-CG 3.27Å; L347-R351 PolarHBondContact O-N 2.63Å; E348-R351 PolarHBondContact O-N 3.26Å; E348-R351 VanDerWaalsContact O-N 3.13Å; E348-R351 IonicContact OE1-CZ 3.17Å; E348-R351 IonicContact OE1-NH1 2.71Å; E348-R351 PolarHBondContact OE1-NH1 2.83Å; R351-Y353 VanDerWaalsContact C-N 3.31Å; R351-E354 PolarHBondContact O-N 3.21Å; R351-K355 WeakPolarHBondContact O-CG 3.32Å; R351-K355 PolarHBondContact O-N 2.89Å |
| 352 | E | 94 | Very high | 92.7 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.4 | -33.1 | 175.6 | -70.8 | -59.9 | 119.5 | 0 | 0 | 111.6 | E348 K355 S356 S357 K359 A360 Y363 | E348-E352 PolarHBondContact O-N 3.49Å; E352-K355 CarbonylContact O-C 3.49Å; E352-K355 PolarHBondContact O-N 2.96Å; E352-K355 IonicContact OE1-NZ 3.41Å; E352-K355 PolarHBondContact OE1-NZ 2.59Å; E352-S356 PolarHBondContact O-N 2.52Å; E352-S357 WeakPolarHBondContact O-CB 3.32Å; E352-S357 PolarHBondContact O-N 3.23Å; E352-S357 WeakPolarHBondContact OE2-CB 3.45Å; E352-S357 PolarHBondContact OE2-OG 2.93Å; E352-K359 HydrophobicContact CB-CB 4.33Å; E352-K359 HydrophobicContact CG-CB 4.11Å; E352-A360 HydrophobicContact CB-CB 4.06Å; E352-Y363 HydrophobicContact CG-CE2 4.21Å |
| 353 | Y | 92.9 | Very high | 92.6 | Very high | 136 Ų | 136 | 59.6 Ų | 59.6 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 172.8 | 174.6 | -98.6 | 0 | 0 | 0 | 111.7 | A349 H350 R351 K355 S356 F402 | A349-Y353 VanDerWaalsContact O-CB 3.3Å; A349-Y353 WeakPolarHBondContact O-CB 3.2Å; A349-Y353 PolarHBondContact O-N 3.43Å; H350-Y353 WeakPolarHBondContact O-CB 3.47Å; H350-Y353 PolarHBondContact O-N 3.36Å; R351-Y353 VanDerWaalsContact C-N 3.31Å; Y353-K355 PolarHBondContact O-N 2.9Å; Y353-S356 PolarHBondContact O-N 3.33Å; Y353-F402 HydrophobicContact CD1-CD2 4.29Å; Y353-F402 HydrophobicContact CD1-CE2 4.17Å; Y353-F402 AromaticContact CD2-CE2 3.85Å; Y353-F402 HydrophobicContact CD2-CE2 3.85Å; Y353-F402 HydrophobicContact CD2-CZ 4.34Å; Y353-F402 HydrophobicContact CE2-CE2 4.22Å; Y353-F402 HydrophobicContact CG-CD2 4.37Å; Y353-F402 AromaticContact CG-CE2 3.82Å; Y353-F402 HydrophobicContact CG-CE2 3.82Å; Y353-F402 HydrophobicContact CG-CZ 4.28Å |
| 354 | E | 92.7 | Very high | 92.5 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -28.7 | 174.3 | -72.5 | -170.4 | 140.7 | 0 | 0 | 112.3 | H350 R351 S356 | H350-E354 IonicContact NE2-OE1 2.63Å; H350-E354 PolarHBondContact O-N 2.9Å; R351-E354 PolarHBondContact O-N 3.21Å; E354-S356 VanDerWaalsContact C-N 3.3Å |
| 355 | K | 93.9 | Very high | 92.3 | Very high | 138 Ų | 138 | 66.4 Ų | 66.4 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0.4 | 174 | -62.9 | 172.6 | -162.3 | 165.2 | 0 | 114 | R351 E352 Y353 S357 | R351-K355 WeakPolarHBondContact O-CG 3.32Å; R351-K355 PolarHBondContact O-N 2.89Å; E352-K355 CarbonylContact O-C 3.49Å; E352-K355 PolarHBondContact O-N 2.96Å; E352-K355 IonicContact OE1-NZ 3.41Å; E352-K355 PolarHBondContact OE1-NZ 2.59Å; Y353-K355 PolarHBondContact O-N 2.9Å; K355-S357 PolarHBondContact O-N 3.2Å |
| 356 | S | 92.1 | Very high | 92.2 | Very high | 116 Ų | 116 | 69 Ų | 69 | 81% | 0.811 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 34.7 | -172.4 | -55.3 | 0 | 0 | 0 | 0 | 113.6 | E352 Y353 E354 | E352-S356 PolarHBondContact O-N 2.52Å; Y353-S356 PolarHBondContact O-N 3.33Å; E354-S356 VanDerWaalsContact C-N 3.3Å |
| 357 | S | 94.2 | Very high | 91.9 | Very high | 34 Ų | 34 | 69 Ų | 69 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | trans | -92.3 | 138.1 | -179 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | E352 K355 K359 A360 | E352-S357 WeakPolarHBondContact O-CB 3.32Å; E352-S357 PolarHBondContact O-N 3.23Å; E352-S357 WeakPolarHBondContact OE2-CB 3.45Å; E352-S357 PolarHBondContact OE2-OG 2.93Å; K355-S357 PolarHBondContact O-N 3.2Å; S357-K359 PolarHBondContact O-N 3.44Å; S357-K359 PolarHBondContact OG-N 3.21Å; S357-A360 WeakPolarHBondContact O-CB 3.38Å; S357-A360 PolarHBondContact O-N 3.01Å | ||
| 358 | Q | 90.8 | Very high | 91.6 | Very high | 157 Ų | 157 | 72.9 Ų | 72.9 | 73% | 0.734 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.9 | 176.8 | 71.9 | -178 | 16.6 | 0 | 0 | 113.2 | A360 D361 | Q358-A360 PolarHBondContact O-N 3.5Å; Q358-A360 VanDerWaalsContact O-N 3.11Å; Q358-D361 PolarHBondContact O-N 3.35Å |
| 359 | K | 90.6 | Very high | 91.5 | Very high | 105 Ų | 105 | 77.6 Ų | 77.6 | 46% | 0.457 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.7 | -24.5 | 178.1 | -65.2 | -176.9 | 176.9 | -177 | 0 | 112.9 | E352 S357 D361 E362 Y363 | E352-K359 HydrophobicContact CB-CB 4.33Å; E352-K359 HydrophobicContact CG-CB 4.11Å; S357-K359 PolarHBondContact O-N 3.44Å; S357-K359 PolarHBondContact OG-N 3.21Å; K359-D361 VanDerWaalsContact C-N 3.27Å; K359-D361 PolarHBondContact O-N 3.38Å; K359-E362 WeakPolarHBondContact O-CB 3.29Å; K359-E362 PolarHBondContact O-N 3.01Å; K359-Y363 HydrophobicContact CB-CE2 4.3Å; K359-Y363 WeakPolarHBondContact O-CD2 3.36Å; K359-Y363 PolarHBondContact O-N 3.5Å |
| 360 | A | 90.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 82.7 Ų | 82.7 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A349 E352 S357 Q358 L364 | A349-A360 WeakPolarHBondContact O-CB 3.5Å; E352-A360 HydrophobicContact CB-CB 4.06Å; S357-A360 WeakPolarHBondContact O-CB 3.38Å; S357-A360 PolarHBondContact O-N 3.01Å; Q358-A360 PolarHBondContact O-N 3.5Å; Q358-A360 VanDerWaalsContact O-N 3.11Å; A360-L364 VanDerWaalsContact O-CB 3.32Å; A360-L364 WeakPolarHBondContact O-CB 3.46Å; A360-L364 PolarHBondContact O-N 2.88Å; A360-L364 VanDerWaalsContact O-N 3.1Å |
| 361 | D | 89.8 | Confident | 90.9 | Very high | 73 Ų | 73 | 89 Ų | 89 | 39% | 0.39 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.7 | -36.4 | 177.5 | -170.9 | 54.7 | 0 | 0 | 0 | 111.4 | Q358 K359 L364 R365 | Q358-D361 PolarHBondContact O-N 3.35Å; K359-D361 VanDerWaalsContact C-N 3.27Å; K359-D361 PolarHBondContact O-N 3.38Å; D361-L364 PolarHBondContact O-N 3.25Å; D361-R365 WeakPolarHBondContact O-CB 3.38Å; D361-R365 VanDerWaalsContact O-CG 3.3Å; D361-R365 WeakPolarHBondContact O-CG 3.13Å; D361-R365 PolarHBondContact O-N 2.82Å; D361-R365 IonicContact OD1-NE 3.76Å; D361-R365 IonicContact OD2-CZ 2.73Å; D361-R365 IonicContact OD2-NE 3.67Å; D361-R365 PolarHBondContact OD2-NE 2.85Å; D361-R365 IonicContact OD2-NH2 2.74Å; D361-R365 PolarHBondContact OD2-NH2 3.35Å |
| 362 | E | 91.1 | Very high | 90.9 | Very high | 106 Ų | 106 | 87.3 Ų | 87.3 | 50% | 0.495 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.3 | -53.3 | 175.3 | -64.3 | 172.5 | -169.1 | 0 | 0 | 110.9 | K359 L364 R365 E366 | K359-E362 WeakPolarHBondContact O-CB 3.29Å; K359-E362 PolarHBondContact O-N 3.01Å; E362-L364 VanDerWaalsContact C-N 3.34Å; E362-L364 PolarHBondContact O-N 3.03Å; E362-R365 PolarHBondContact O-N 3.36Å; E362-E366 PolarHBondContact O-N 3.06Å |
| 363 | Y | 90.8 | Very high | 90.7 | Very high | 73 Ų | 73 | 86.4 Ų | 86.4 | 29% | 0.286 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 176.9 | -70.8 | -57 | 0 | 0 | 0 | 112.4 | L345 E348 E352 K359 E366 I367 | L345-Y363 HydrophobicContact CD2-CD1 4.06Å; L345-Y363 HydrophobicContact CD2-CE1 4.27Å; E348-Y363 HydrophobicContact CB-CE2 4.44Å; E352-Y363 HydrophobicContact CG-CE2 4.21Å; K359-Y363 HydrophobicContact CB-CE2 4.3Å; K359-Y363 WeakPolarHBondContact O-CD2 3.36Å; K359-Y363 PolarHBondContact O-N 3.5Å; Y363-E366 PolarHBondContact O-N 3.22Å; Y363-I367 WeakPolarHBondContact O-CD1 3.44Å; Y363-I367 VanDerWaalsContact O-CG1 3.23Å; Y363-I367 WeakPolarHBondContact O-CG1 3.34Å; Y363-I367 PolarHBondContact O-N 2.87Å; Y363-I367 VanDerWaalsContact O-N 3.13Å |
| 364 | L | 89.9 | Confident | 90.6 | Very high | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.2 | -38.5 | -179.7 | -172.3 | 71.9 | 0 | 0 | 0 | 112.2 | A360 D361 E362 K368 L373 F402 F406 | A360-L364 VanDerWaalsContact O-CB 3.32Å; A360-L364 WeakPolarHBondContact O-CB 3.46Å; A360-L364 PolarHBondContact O-N 2.88Å; A360-L364 VanDerWaalsContact O-N 3.1Å; D361-L364 PolarHBondContact O-N 3.25Å; E362-L364 VanDerWaalsContact C-N 3.34Å; E362-L364 PolarHBondContact O-N 3.03Å; L364-K368 HydrophobicContact CG-CD 4.47Å; L364-K368 WeakPolarHBondContact O-CB 3.32Å; L364-K368 WeakPolarHBondContact O-CG 3.34Å; L364-K368 PolarHBondContact O-N 2.81Å; L364-L373 HydrophobicContact CD1-CD1 4.12Å; L364-F402 HydrophobicContact CD1-CE1 4.32Å; L364-F406 HydrophobicContact CD1-CD2 3.88Å; L364-F406 HydrophobicContact CD1-CE2 4.12Å; L364-F406 HydrophobicContact CD1-CG 4.45Å; L364-F406 HydrophobicContact CD2-CD1 3.87Å; L364-F406 HydrophobicContact CD2-CD2 3.68Å; L364-F406 HydrophobicContact CD2-CE1 3.61Å; L364-F406 HydrophobicContact CD2-CE2 3.43Å; L364-F406 VanDerWaalsContact CD2-CE2 3.43Å; L364-F406 HydrophobicContact CD2-CG 3.89Å; L364-F406 HydrophobicContact CD2-CZ 3.38Å; L364-F406 HydrophobicContact CG-CD2 4.39Å; L364-F406 HydrophobicContact CG-CE2 4.44Å |
| 365 | R | 89.8 | Confident | 90.6 | Very high | 146 Ų | 146 | 78.3 Ų | 78.3 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 174.5 | -75.3 | -178.8 | -166.7 | -163 | 8 | 111.1 | D361 E362 I367 K368 E369 | D361-R365 WeakPolarHBondContact O-CB 3.38Å; D361-R365 VanDerWaalsContact O-CG 3.3Å; D361-R365 WeakPolarHBondContact O-CG 3.13Å; D361-R365 PolarHBondContact O-N 2.82Å; D361-R365 IonicContact OD1-NE 3.76Å; D361-R365 IonicContact OD2-CZ 2.73Å; D361-R365 IonicContact OD2-NE 3.67Å; D361-R365 PolarHBondContact OD2-NE 2.85Å; D361-R365 IonicContact OD2-NH2 2.74Å; D361-R365 PolarHBondContact OD2-NH2 3.35Å; E362-R365 PolarHBondContact O-N 3.36Å; R365-I367 VanDerWaalsContact C-N 3.33Å; R365-I367 PolarHBondContact O-N 3.23Å; R365-K368 PolarHBondContact O-N 3.42Å; R365-K368 VanDerWaalsContact O-N 3.09Å; R365-E369 WeakPolarHBondContact O-CB 3.41Å; R365-E369 WeakPolarHBondContact O-CG 3.32Å; R365-E369 PolarHBondContact O-N 3.31Å |
| 366 | E | 90.3 | Very high | 90.5 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 29% | 0.29 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.6 | -48 | 176.9 | -175.5 | 178.8 | 178.3 | 0 | 0 | 111.7 | E362 Y363 K368 E369 Q370 | E362-E366 PolarHBondContact O-N 3.06Å; Y363-E366 PolarHBondContact O-N 3.22Å; E366-K368 VanDerWaalsContact C-N 3.32Å; E366-K368 PolarHBondContact O-N 3.2Å; E366-E369 PolarHBondContact O-N 3.38Å; E366-Q370 WeakPolarHBondContact O-CG 3.37Å; E366-Q370 PolarHBondContact O-N 3.2Å |
| 367 | I | 89.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64 | -37.4 | 178.1 | -61.1 | 164.2 | 0 | 0 | 0 | 111.5 | L345 L346 Y363 R365 N371 V372 L373 A376 | L345-I367 HydrophobicContact CB-CD1 3.64Å; L345-I367 HydrophobicContact CB-CG1 3.79Å; L345-I367 HydrophobicContact CD1-CG1 4.15Å; L346-I367 HydrophobicContact CB-CD1 4.03Å; Y363-I367 WeakPolarHBondContact O-CD1 3.44Å; Y363-I367 VanDerWaalsContact O-CG1 3.23Å; Y363-I367 WeakPolarHBondContact O-CG1 3.34Å; Y363-I367 PolarHBondContact O-N 2.87Å; Y363-I367 VanDerWaalsContact O-N 3.13Å; R365-I367 VanDerWaalsContact C-N 3.33Å; R365-I367 PolarHBondContact O-N 3.23Å; I367-N371 PolarHBondContact O-N 3.46Å; I367-V372 HydrophobicContact CG2-CG2 4.15Å; I367-V372 PolarHBondContact O-N 2.87Å; I367-L373 VanDerWaalsContact CG2-CA 3.45Å; I367-L373 HydrophobicContact CG2-CB 3.79Å; I367-L373 HydrophobicContact CG2-CD1 3.76Å; I367-L373 HydrophobicContact CG2-CG 4.4Å; I367-A376 HydrophobicContact CG2-CB 4.25Å |
| 368 | K | 87.9 | Confident | 90.5 | Very high | 87 Ų | 87 | 69.7 Ų | 69.7 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.3 | -42.8 | 179.1 | -80.1 | 179.2 | 179.1 | 177.1 | 0 | 113 | L364 R365 E366 Q370 N371 L373 F406 | L364-K368 HydrophobicContact CG-CD 4.47Å; L364-K368 WeakPolarHBondContact O-CB 3.32Å; L364-K368 WeakPolarHBondContact O-CG 3.34Å; L364-K368 PolarHBondContact O-N 2.81Å; R365-K368 PolarHBondContact O-N 3.42Å; R365-K368 VanDerWaalsContact O-N 3.09Å; E366-K368 VanDerWaalsContact C-N 3.32Å; E366-K368 PolarHBondContact O-N 3.2Å; K368-Q370 PolarHBondContact O-N 3.17Å; K368-N371 WeakPolarHBondContact O-CA 3.29Å; K368-N371 PolarHBondContact O-N 3.49Å; K368-L373 HydrophobicContact CG-CD2 4.13Å; K368-F406 VanDerWaalsContact CE-CB 3.42Å; K368-F406 VanDerWaalsContact NZ-CD1 3.27Å |
| 369 | E | 89.6 | Confident | 90.7 | Very high | 164 Ų | 164 | 63.9 Ų | 63.9 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.9 | -34.5 | 178 | -75.3 | 175 | -174.5 | 0 | 0 | 111.2 | R365 E366 N371 | R365-E369 WeakPolarHBondContact O-CB 3.41Å; R365-E369 WeakPolarHBondContact O-CG 3.32Å; R365-E369 PolarHBondContact O-N 3.31Å; E366-E369 PolarHBondContact O-N 3.38Å; E369-N371 VanDerWaalsContact C-N 3.28Å; E369-N371 PolarHBondContact O-N 3.43Å |
| 370 | Q | 88.4 | Confident | 90.9 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6 | 174.3 | -66.7 | 177 | 23.9 | 0 | 0 | 113.8 | E366 K368 V372 | E366-Q370 WeakPolarHBondContact O-CG 3.37Å; E366-Q370 PolarHBondContact O-N 3.2Å; K368-Q370 PolarHBondContact O-N 3.17Å; Q370-V372 HydrophobicContact CB-CG1 4.49Å; Q370-V372 HydrophobicContact CB-CG2 3.77Å; Q370-V372 PolarHBondContact O-N 3.42Å |
| 371 | N | 87.2 | Confident | 91.1 | Very high | 147 Ų | 147 | 58.6 Ų | 58.6 | 79% | 0.786 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.2 | -176.7 | -162.7 | 35.1 | 0 | 0 | 0 | 114.5 | I367 K368 E369 | I367-N371 PolarHBondContact O-N 3.46Å; K368-N371 WeakPolarHBondContact O-CA 3.29Å; K368-N371 PolarHBondContact O-N 3.49Å; E369-N371 VanDerWaalsContact C-N 3.28Å; E369-N371 PolarHBondContact O-N 3.43Å |
| 372 | V | 91.9 | Very high | 91.2 | Very high | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | trans | -110.1 | 10.8 | -177.6 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | P342 I367 Q370 G374 D375 A376 | P342-V372 HydrophobicContact CB-CB 4.23Å; P342-V372 HydrophobicContact CB-CG2 3.97Å; P342-V372 HydrophobicContact CG-CB 3.98Å; P342-V372 HydrophobicContact CG-CG2 3.84Å; I367-V372 HydrophobicContact CG2-CG2 4.15Å; I367-V372 PolarHBondContact O-N 2.87Å; Q370-V372 HydrophobicContact CB-CG1 4.49Å; Q370-V372 HydrophobicContact CB-CG2 3.77Å; Q370-V372 PolarHBondContact O-N 3.42Å; V372-G374 VanDerWaalsContact C-N 3.3Å; V372-G374 PolarHBondContact O-N 3.05Å; V372-D375 WeakPolarHBondContact O-CB 3.48Å; V372-D375 PolarHBondContact O-N 3.35Å; V372-A376 PolarHBondContact O-N 3.03Å | ||
| 373 | L | 90.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -38 | -179.1 | -177.5 | 63.9 | 0 | 0 | 0 | 112.9 | L346 L364 I367 K368 D375 A376 V377 F406 L407 | L346-L373 HydrophobicContact CD1-CD1 4.24Å; L364-L373 HydrophobicContact CD1-CD1 4.12Å; I367-L373 VanDerWaalsContact CG2-CA 3.45Å; I367-L373 HydrophobicContact CG2-CB 3.79Å; I367-L373 HydrophobicContact CG2-CD1 3.76Å; I367-L373 HydrophobicContact CG2-CG 4.4Å; K368-L373 HydrophobicContact CG-CD2 4.13Å; L373-D375 VanDerWaalsContact C-N 3.26Å; L373-D375 PolarHBondContact O-N 3.19Å; L373-A376 PolarHBondContact O-N 2.94Å; L373-V377 WeakPolarHBondContact O-CG2 3.44Å; L373-V377 PolarHBondContact O-N 2.82Å; L373-F406 HydrophobicContact CD2-CB 3.78Å; L373-L407 HydrophobicContact CB-CD2 4.02Å; L373-L407 HydrophobicContact CD2-CD2 3.75Å; L373-L407 HydrophobicContact CD2-CG 3.89Å; L373-L407 HydrophobicContact CG-CD1 4.44Å; L373-L407 HydrophobicContact CG-CD2 3.89Å; L373-L407 HydrophobicContact CG-CG 4.09Å |
| 374 | G | 90.9 | Very high | 91.6 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -37.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V372 R378 | V372-G374 VanDerWaalsContact C-N 3.3Å; V372-G374 PolarHBondContact O-N 3.05Å; G374-R378 WeakPolarHBondContact O-CG 3.4Å; G374-R378 PolarHBondContact O-N 3.34Å; G374-R378 PolarHBondContact O-NH1 3.31Å |
| 375 | D | 91.3 | Very high | 91.7 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 35% | 0.353 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -73.5 | -41.1 | 179.6 | -62.2 | -1.5 | 0 | 0 | 0 | 110.6 | V372 L373 V377 R378 Q379 | V372-D375 WeakPolarHBondContact O-CB 3.48Å; V372-D375 PolarHBondContact O-N 3.35Å; L373-D375 VanDerWaalsContact C-N 3.26Å; L373-D375 PolarHBondContact O-N 3.19Å; D375-V377 VanDerWaalsContact C-N 3.33Å; D375-V377 PolarHBondContact O-N 3.02Å; D375-R378 PolarHBondContact O-N 3.4Å; D375-R378 IonicContact OD1-CZ 2.59Å; D375-R378 IonicContact OD1-NH1 3.52Å; D375-R378 PolarHBondContact OD1-NH1 2.76Å; D375-R378 IonicContact OD1-NH2 3.7Å; D375-R378 PolarHBondContact OD1-NH2 3.1Å; D375-Q379 WeakPolarHBondContact O-CB 3.47Å; D375-Q379 WeakPolarHBondContact O-CG 3.26Å; D375-Q379 PolarHBondContact O-N 3.37Å |
| 376 | A | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -45.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P342 L346 I367 V372 L373 Q379 C380 | P342-A376 VanDerWaalsContact C-CB 3.43Å; P342-A376 HydrophobicContact CB-CB 3.65Å; P342-A376 VanDerWaalsContact O-CB 3.28Å; P342-A376 WeakPolarHBondContact O-CB 3.19Å; L346-A376 HydrophobicContact CB-CB 3.93Å; L346-A376 HydrophobicContact CD2-CB 3.82Å; L346-A376 HydrophobicContact CG-CB 4.48Å; I367-A376 HydrophobicContact CG2-CB 4.25Å; V372-A376 PolarHBondContact O-N 3.03Å; L373-A376 PolarHBondContact O-N 2.94Å; A376-Q379 PolarHBondContact O-N 3.22Å; A376-C380 PolarHBondContact O-N 3.35Å; A376-C380 PolarHBondContact O-SG 3.26Å |
| 377 | V | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L346 L373 D375 C380 V381 A400 L407 F410 | L346-V377 HydrophobicContact CD2-CG2 3.88Å; L373-V377 WeakPolarHBondContact O-CG2 3.44Å; L373-V377 PolarHBondContact O-N 2.82Å; D375-V377 VanDerWaalsContact C-N 3.33Å; D375-V377 PolarHBondContact O-N 3.02Å; V377-C380 PolarHBondContact O-N 3.14Å; V377-V381 WeakPolarHBondContact O-CG2 3.22Å; V377-V381 PolarHBondContact O-N 2.99Å; V377-V381 VanDerWaalsContact O-N 3.11Å; V377-A400 HydrophobicContact CG1-CB 4.15Å; V377-L407 HydrophobicContact CG2-CD1 4.11Å; V377-F410 HydrophobicContact CB-CE2 4.24Å; V377-F410 HydrophobicContact CB-CZ 4.4Å; V377-F410 HydrophobicContact CG1-CE1 4.06Å; V377-F410 HydrophobicContact CG1-CE2 3.79Å; V377-F410 HydrophobicContact CG1-CZ 3.48Å; V377-F410 VanDerWaalsContact CG1-CZ 3.48Å |
| 378 | R | 93.1 | Very high | 91.8 | Very high | 107 Ų | 107 | 43.8 Ų | 43.8 | 40% | 0.404 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 178 | -68.9 | -166.5 | -46.6 | -87.3 | 6.6 | 112.2 | G374 D375 V381 E382 F410 | G374-R378 WeakPolarHBondContact O-CG 3.4Å; G374-R378 PolarHBondContact O-N 3.34Å; G374-R378 PolarHBondContact O-NH1 3.31Å; D375-R378 PolarHBondContact O-N 3.4Å; D375-R378 IonicContact OD1-CZ 2.59Å; D375-R378 IonicContact OD1-NH1 3.52Å; D375-R378 PolarHBondContact OD1-NH1 2.76Å; D375-R378 IonicContact OD1-NH2 3.7Å; D375-R378 PolarHBondContact OD1-NH2 3.1Å; R378-V381 PolarHBondContact O-N 3.24Å; R378-E382 WeakPolarHBondContact O-CB 3.36Å; R378-E382 PolarHBondContact O-N 3.36Å; R378-F410 HydrophobicContact CG-CE2 4.18Å |
| 379 | Q | 94.1 | Very high | 92 | Very high | 35 Ų | 35 | 43 Ų | 43 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 176.7 | -76.4 | -177.7 | -27.8 | 0 | 0 | 111.4 | V330 I334 D375 A376 V381 E382 A383 | V330-Q379 HydrophobicContact CG1-CB 3.76Å; V330-Q379 HydrophobicContact CG1-CG 4.03Å; V330-Q379 WeakPolarHBondContact CG1-O 3.22Å; I334-Q379 HydrophobicContact CD1-CB 4.29Å; D375-Q379 WeakPolarHBondContact O-CB 3.47Å; D375-Q379 WeakPolarHBondContact O-CG 3.26Å; D375-Q379 PolarHBondContact O-N 3.37Å; A376-Q379 PolarHBondContact O-N 3.22Å; Q379-V381 VanDerWaalsContact C-N 3.32Å; Q379-V381 PolarHBondContact O-N 2.91Å; Q379-E382 PolarHBondContact O-N 3.48Å; Q379-A383 WeakPolarHBondContact O-CB 3.29Å; Q379-A383 PolarHBondContact O-N 3.23Å |
| 380 | C | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.8 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | A376 V377 A384 A400 | A376-C380 PolarHBondContact O-N 3.35Å; A376-C380 PolarHBondContact O-SG 3.26Å; V377-C380 PolarHBondContact O-N 3.14Å; C380-A384 WeakPolarHBondContact O-CB 3.47Å; C380-A384 PolarHBondContact O-N 2.83Å; C380-A384 VanDerWaalsContact O-N 3.1Å; C380-A400 HydrophobicContact CB-CB 3.89Å |
| 381 | V | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | V377 R378 Q379 A384 A385 M397 A400 Q414 F415 T418 | V377-V381 WeakPolarHBondContact O-CG2 3.22Å; V377-V381 PolarHBondContact O-N 2.99Å; V377-V381 VanDerWaalsContact O-N 3.11Å; R378-V381 PolarHBondContact O-N 3.24Å; Q379-V381 VanDerWaalsContact C-N 3.32Å; Q379-V381 PolarHBondContact O-N 2.91Å; V381-A384 PolarHBondContact O-N 3.4Å; V381-A385 PolarHBondContact O-N 2.96Å; V381-M397 HydrophobicContact CB-SD 4.45Å; V381-M397 HydrophobicContact CG1-CE 4.47Å; V381-M397 HydrophobicContact CG1-SD 4.39Å; V381-M397 HydrophobicContact CG2-CE 4.37Å; V381-M397 HydrophobicContact CG2-SD 4.23Å; V381-A400 HydrophobicContact CG2-CB 3.66Å; V381-Q414 HydrophobicContact CG1-CG 4.14Å; V381-F415 HydrophobicContact CG2-CB 4.46Å; V381-F415 HydrophobicContact CG2-CD2 3.76Å; V381-T418 HydrophobicContact CG1-CG2 3.95Å; V381-T418 VanDerWaalsContact CG1-OG1 3.24Å; V381-T418 WeakPolarHBondContact CG1-OG1 3.46Å |
| 382 | E | 92.9 | Very high | 92.5 | Very high | 82 Ų | 82 | 31 Ų | 31 | 38% | 0.383 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.8 | -41.8 | 179.6 | -177.6 | 173.6 | 172.2 | 0 | 0 | 112.2 | V330 R378 Q379 A384 A385 H386 | V330-E382 HydrophobicContact CB-CG 4.41Å; V330-E382 HydrophobicContact CG1-CB 4.26Å; V330-E382 HydrophobicContact CG2-CG 4.07Å; R378-E382 WeakPolarHBondContact O-CB 3.36Å; R378-E382 PolarHBondContact O-N 3.36Å; Q379-E382 PolarHBondContact O-N 3.48Å; E382-A384 VanDerWaalsContact C-N 3.29Å; E382-A384 PolarHBondContact O-N 3.44Å; E382-A385 WeakPolarHBondContact O-CB 3.29Å; E382-A385 PolarHBondContact O-N 2.55Å; E382-H386 PolarHBondContact O-CD2 3.38Å; E382-H386 VanDerWaalsContact O-CD2 3.27Å |
| 383 | A | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V330 I334 Q379 A385 H386 E387 L396 | V330-A383 HydrophobicContact CG1-CB 4.06Å; I334-A383 HydrophobicContact CD1-CB 3.54Å; Q379-A383 WeakPolarHBondContact O-CB 3.29Å; Q379-A383 PolarHBondContact O-N 3.23Å; A383-A385 PolarHBondContact O-N 3.49Å; A383-H386 PolarHBondContact O-N 3.4Å; A383-E387 PolarHBondContact O-N 2.99Å; A383-L396 HydrophobicContact CB-CD1 3.88Å; A383-L396 HydrophobicContact CB-CD2 4.42Å |
| 384 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -34.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C380 V381 E382 H386 E387 L396 M397 L422 | C380-A384 WeakPolarHBondContact O-CB 3.47Å; C380-A384 PolarHBondContact O-N 2.83Å; C380-A384 VanDerWaalsContact O-N 3.1Å; V381-A384 PolarHBondContact O-N 3.4Å; E382-A384 VanDerWaalsContact C-N 3.29Å; E382-A384 PolarHBondContact O-N 3.44Å; A384-H386 VanDerWaalsContact C-N 3.25Å; A384-H386 PolarHBondContact O-N 2.96Å; A384-E387 PolarHBondContact O-N 3.2Å; A384-L396 HydrophobicContact CB-CB 3.82Å; A384-L396 HydrophobicContact CB-CD1 4.07Å; A384-M397 HydrophobicContact CB-CG 3.85Å; A384-M397 HydrophobicContact CB-SD 3.69Å; A384-L422 HydrophobicContact CB-CD1 4.16Å |
| 385 | A | 92.4 | Very high | 93 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -29 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V381 E382 A383 T418 H439 | V381-A385 PolarHBondContact O-N 2.96Å; E382-A385 WeakPolarHBondContact O-CB 3.29Å; E382-A385 PolarHBondContact O-N 2.55Å; A383-A385 PolarHBondContact O-N 3.49Å; A385-T418 HydrophobicContact CB-CG2 4.17Å; A385-H439 HydrophobicContact CB-CB 4.15Å; A385-H439 WeakPolarHBondContact O-CB 3.38Å |
| 386 | H | 91.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 10% | 0.097 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -90.2 | -10.9 | -176.9 | -70.9 | -61.1 | 0 | 0 | 0 | 114.5 | R17 P328 E382 A383 A384 | R17-H386 PolarHBondContact NH2-O 3.17Å; P328-H386 HydrophobicContact CG-CB 3.92Å; E382-H386 PolarHBondContact O-CD2 3.38Å; E382-H386 VanDerWaalsContact O-CD2 3.27Å; A383-H386 PolarHBondContact O-N 3.4Å; A384-H386 VanDerWaalsContact C-N 3.25Å; A384-H386 PolarHBondContact O-N 2.96Å |
| 387 | E | 91.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | trans | -87.5 | 149.8 | 178.5 | -63 | -50.3 | 125.2 | 0 | 0 | 112.3 | R17 C331 F335 A383 A384 T392 Q393 L396 | R17-E387 IonicContact CZ-OE1 2.74Å; R17-E387 IonicContact CZ-OE2 2.69Å; R17-E387 VanDerWaalsContact NH1-CD 3.28Å; R17-E387 IonicContact NH1-OE1 3.4Å; R17-E387 PolarHBondContact NH1-OE1 3.39Å; R17-E387 IonicContact NH1-OE2 3.07Å; R17-E387 PolarHBondContact NH1-OE2 3.11Å; R17-E387 IonicContact NH2-OE1 2.78Å; R17-E387 PolarHBondContact NH2-OE1 3.47Å; R17-E387 IonicContact NH2-OE2 3.94Å; C331-E387 PolarHBondContact SG-OE1 3.13Å; F335-E387 HydrophobicContact CE2-CG 4.29Å; A383-E387 PolarHBondContact O-N 2.99Å; A384-E387 PolarHBondContact O-N 3.2Å; E387-T392 HydrophobicContact CB-CG2 4.35Å; E387-T392 HydrophobicContact CG-CG2 3.94Å; E387-Q393 HydrophobicContact CB-CG 4.13Å; E387-Q393 PolarHBondContact O-NE2 2.81Å; E387-L396 HydrophobicContact CG-CD1 4.21Å | ||
| 388 | Y | 89.5 | Confident | 93.4 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 14% | 0.137 | 18% | 0.182 | C | C | . | . | trans | -100.1 | -31.4 | 177.6 | -80.8 | -96.7 | 0 | 0 | 0 | 112.7 | T19 L21 L323 P390 T438 | T19-Y388 HydrophobicContact CG2-CD2 4.13Å; T19-Y388 HydrophobicContact CG2-CG 4.21Å; L21-Y388 HydrophobicContact CD2-CD1 3.88Å; L21-Y388 HydrophobicContact CD2-CE1 3.49Å; L21-Y388 VanDerWaalsContact CD2-CE1 3.49Å; L323-Y388 HydrophobicContact CD2-CE2 3.87Å; L323-Y388 VanDerWaalsContact CD2-OH 3.26Å; L323-Y388 WeakPolarHBondContact CD2-OH 3.3Å; Y388-P390 WeakPolarHBondContact O-CD 3.35Å; Y388-T438 WeakPolarHBondContact OH-CG2 3.15Å | ||
| 389 | D | 90.6 | Very high | 93.5 | Very high | 71 Ų | 71 | 33.6 Ų | 33.6 | 38% | 0.38 | 16% | 0.163 | S | C | . | . | trans | -72.3 | 118.9 | 179.9 | 171.3 | 46.9 | 0 | 0 | 0 | 111.3 | D391 T392 Q393 | D389-D391 PolarHBondContact O-N 2.95Å; D389-D391 PolarHBondContact OD1-N 2.93Å; D389-T392 PolarHBondContact O-N 3.24Å; D389-T392 WeakPolarHBondContact OD2-CB 3.48Å; D389-T392 PolarHBondContact OD2-N 3.26Å; D389-T392 PolarHBondContact OD2-OG1 3.11Å; D389-Q393 WeakPolarHBondContact O-CG 3.46Å; D389-Q393 PolarHBondContact O-N 3.33Å | ||
| 390 | P | 92.1 | Very high | 93.5 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.3 | -29.3 | -178.5 | -25.4 | 35.6 | 0 | 0 | 0 | 114.1 | Y388 K394 | Y388-P390 WeakPolarHBondContact O-CD 3.35Å; P390-K394 WeakPolarHBondContact O-CB 3.06Å; P390-K394 WeakPolarHBondContact O-CG 3.5Å; P390-K394 PolarHBondContact O-N 3.18Å |
| 391 | D | 92.9 | Very high | 93.4 | Very high | 100 Ų | 100 | 34.6 Ų | 34.6 | 54% | 0.535 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -76.2 | -39.6 | -179 | -69.1 | -25.7 | 0 | 0 | 0 | 111.5 | D389 K394 A395 | D389-D391 PolarHBondContact O-N 2.95Å; D389-D391 PolarHBondContact OD1-N 2.93Å; D391-K394 PolarHBondContact O-N 3.06Å; D391-K394 IonicContact OD1-NZ 2.82Å; D391-K394 PolarHBondContact OD1-NZ 3.38Å; D391-A395 WeakPolarHBondContact O-CB 3.5Å; D391-A395 PolarHBondContact O-N 3.24Å |
| 392 | T | 92.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 170.4 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | I4 F335 E387 D389 K394 A395 L396 | I4-T392 HydrophobicContact CD1-CG2 3.78Å; F335-T392 HydrophobicContact CE1-CG2 4.37Å; F335-T392 HydrophobicContact CE2-CG2 4.47Å; F335-T392 HydrophobicContact CZ-CG2 3.69Å; E387-T392 HydrophobicContact CB-CG2 4.35Å; E387-T392 HydrophobicContact CG-CG2 3.94Å; D389-T392 PolarHBondContact O-N 3.24Å; D389-T392 WeakPolarHBondContact OD2-CB 3.48Å; D389-T392 PolarHBondContact OD2-N 3.26Å; D389-T392 PolarHBondContact OD2-OG1 3.11Å; T392-K394 PolarHBondContact O-N 2.8Å; T392-A395 PolarHBondContact O-N 2.99Å; T392-L396 HydrophobicContact CG2-CD1 4.35Å; T392-L396 WeakPolarHBondContact O-CG 3.47Å; T392-L396 PolarHBondContact O-N 2.94Å |
| 393 | Q | 94.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 174 | -70 | 173.3 | -4.8 | 0 | 0 | 111.6 | E387 D389 A395 L396 M397 L422 N426 | E387-Q393 HydrophobicContact CB-CG 4.13Å; E387-Q393 PolarHBondContact O-NE2 2.81Å; D389-Q393 WeakPolarHBondContact O-CG 3.46Å; D389-Q393 PolarHBondContact O-N 3.33Å; Q393-A395 PolarHBondContact O-N 3.19Å; Q393-L396 PolarHBondContact O-N 2.79Å; Q393-M397 WeakPolarHBondContact O-CB 3.47Å; Q393-M397 VanDerWaalsContact O-CG 3.29Å; Q393-M397 WeakPolarHBondContact O-CG 3.06Å; Q393-M397 PolarHBondContact O-N 2.77Å; Q393-L422 HydrophobicContact CB-CD1 4.48Å; Q393-L422 HydrophobicContact CG-CD2 4.42Å; Q393-N426 PolarHBondContact NE2-OD1 2.82Å; Q393-N426 PolarHBondContact OE1-ND2 3.17Å; Q393-N426 PolarHBondContact OE1-OD1 3.39Å |
| 394 | K | 94.8 | Very high | 93.1 | Very high | 101 Ų | 101 | 35 Ų | 35 | 44% | 0.439 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 177.5 | -72.4 | 166.6 | -154.9 | 155.5 | 0 | 111.6 | P390 D391 T392 M397 R398 | P390-K394 WeakPolarHBondContact O-CB 3.06Å; P390-K394 WeakPolarHBondContact O-CG 3.5Å; P390-K394 PolarHBondContact O-N 3.18Å; D391-K394 PolarHBondContact O-N 3.06Å; D391-K394 IonicContact OD1-NZ 2.82Å; D391-K394 PolarHBondContact OD1-NZ 3.38Å; T392-K394 PolarHBondContact O-N 2.8Å; K394-M397 PolarHBondContact O-N 3.46Å; K394-R398 WeakPolarHBondContact O-CB 3.23Å; K394-R398 VanDerWaalsContact O-CG 3.22Å; K394-R398 WeakPolarHBondContact O-CG 3.44Å; K394-R398 PolarHBondContact O-N 2.92Å |
| 395 | A | 94.1 | Very high | 92.8 | Very high | 19 Ų | 19 | 40 Ų | 40 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D391 T392 Q393 R398 A399 | D391-A395 WeakPolarHBondContact O-CB 3.5Å; D391-A395 PolarHBondContact O-N 3.24Å; T392-A395 PolarHBondContact O-N 2.99Å; Q393-A395 PolarHBondContact O-N 3.19Å; A395-R398 PolarHBondContact O-N 2.84Å; A395-A399 WeakPolarHBondContact O-CB 3.47Å; A395-A399 PolarHBondContact O-N 2.82Å |
| 396 | L | 95.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.2 | -70.9 | 170.2 | 0 | 0 | 0 | 112.2 | I334 F335 L347 A383 A384 E387 T392 Q393 R398 A399 A400 | I334-L396 HydrophobicContact CD1-CD2 4.01Å; I334-L396 HydrophobicContact CG2-CD2 3.94Å; F335-L396 HydrophobicContact CE2-CD1 4.21Å; F335-L396 HydrophobicContact CZ-CD1 3.83Å; F335-L396 HydrophobicContact CZ-CD2 3.99Å; F335-L396 HydrophobicContact CZ-CG 4.14Å; L347-L396 HydrophobicContact CD1-CD2 4.34Å; L347-L396 HydrophobicContact CD2-CD2 4.08Å; A383-L396 HydrophobicContact CB-CD1 3.88Å; A383-L396 HydrophobicContact CB-CD2 4.42Å; A384-L396 HydrophobicContact CB-CB 3.82Å; A384-L396 HydrophobicContact CB-CD1 4.07Å; E387-L396 HydrophobicContact CG-CD1 4.21Å; T392-L396 HydrophobicContact CG2-CD1 4.35Å; T392-L396 WeakPolarHBondContact O-CG 3.47Å; T392-L396 PolarHBondContact O-N 2.94Å; Q393-L396 PolarHBondContact O-N 2.79Å; L396-R398 VanDerWaalsContact C-N 3.35Å; L396-R398 PolarHBondContact O-N 3.44Å; L396-A399 PolarHBondContact O-N 2.88Å; L396-A400 PolarHBondContact O-N 2.92Å |
| 397 | M | 95.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.6 | -33.3 | 178.4 | -67.1 | -55.6 | -73.3 | 0 | 0 | 112.6 | V381 A384 Q393 K394 S401 F415 T418 C419 L422 | V381-M397 HydrophobicContact CB-SD 4.45Å; V381-M397 HydrophobicContact CG1-CE 4.47Å; V381-M397 HydrophobicContact CG1-SD 4.39Å; V381-M397 HydrophobicContact CG2-CE 4.37Å; V381-M397 HydrophobicContact CG2-SD 4.23Å; A384-M397 HydrophobicContact CB-CG 3.85Å; A384-M397 HydrophobicContact CB-SD 3.69Å; Q393-M397 WeakPolarHBondContact O-CB 3.47Å; Q393-M397 VanDerWaalsContact O-CG 3.29Å; Q393-M397 WeakPolarHBondContact O-CG 3.06Å; Q393-M397 PolarHBondContact O-N 2.77Å; K394-M397 PolarHBondContact O-N 3.46Å; M397-S401 WeakPolarHBondContact O-CB 3.44Å; M397-S401 PolarHBondContact O-N 2.93Å; M397-F415 HydrophobicContact CE-CD1 4.45Å; M397-F415 HydrophobicContact CE-CD2 3.66Å; M397-F415 HydrophobicContact CE-CE1 4.38Å; M397-F415 HydrophobicContact CE-CE2 3.58Å; M397-F415 HydrophobicContact CE-CG 4.1Å; M397-F415 HydrophobicContact CE-CZ 3.96Å; M397-F415 WeakPolarHBondContact O-CE2 3.31Å; M397-T418 HydrophobicContact SD-CG2 4.42Å; M397-C419 WeakPolarHBondContact CE-SG 3.4Å; M397-L422 HydrophobicContact CG-CD1 4.33Å |
| 398 | R | 95.2 | Very high | 91.8 | Very high | 136 Ų | 136 | 51.6 Ų | 51.6 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.5 | -41.1 | 172.9 | -73.2 | 173.7 | -178.1 | 167.1 | 2.2 | 111.8 | H350 K394 A395 L396 A400 S401 F402 | H350-R398 VanDerWaalsContact NE2-CB 3.29Å; H350-R398 WeakPolarHBondContact NE2-CB 3.39Å; K394-R398 WeakPolarHBondContact O-CB 3.23Å; K394-R398 VanDerWaalsContact O-CG 3.22Å; K394-R398 WeakPolarHBondContact O-CG 3.44Å; K394-R398 PolarHBondContact O-N 2.92Å; A395-R398 PolarHBondContact O-N 2.84Å; L396-R398 VanDerWaalsContact C-N 3.35Å; L396-R398 PolarHBondContact O-N 3.44Å; R398-A400 PolarHBondContact O-N 2.83Å; R398-S401 WeakPolarHBondContact O-CB 3.47Å; R398-S401 PolarHBondContact O-N 2.7Å; R398-F402 WeakPolarHBondContact O-CB 3.27Å; R398-F402 PolarHBondContact O-N 2.79Å |
| 399 | A | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L347 H350 A395 L396 S401 F402 G403 | L347-A399 HydrophobicContact CD1-CB 3.92Å; H350-A399 HydrophobicContact CB-CB 3.8Å; A395-A399 WeakPolarHBondContact O-CB 3.47Å; A395-A399 PolarHBondContact O-N 2.82Å; L396-A399 PolarHBondContact O-N 2.88Å; A399-S401 PolarHBondContact O-N 3.32Å; A399-F402 WeakPolarHBondContact O-CB 3.33Å; A399-F402 PolarHBondContact O-N 2.9Å; A399-G403 PolarHBondContact O-N 2.86Å |
| 400 | A | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V377 C380 V381 L396 R398 F402 G403 K404 F415 | V377-A400 HydrophobicContact CG1-CB 4.15Å; C380-A400 HydrophobicContact CB-CB 3.89Å; V381-A400 HydrophobicContact CG2-CB 3.66Å; L396-A400 PolarHBondContact O-N 2.92Å; R398-A400 PolarHBondContact O-N 2.83Å; A400-F402 VanDerWaalsContact C-N 3.33Å; A400-F402 PolarHBondContact O-N 2.87Å; A400-G403 PolarHBondContact O-N 3.44Å; A400-K404 WeakPolarHBondContact O-CB 3.06Å; A400-K404 PolarHBondContact O-N 2.86Å; A400-F415 HydrophobicContact CB-CD2 4.16Å; A400-F415 HydrophobicContact CB-CE2 3.98Å |
| 401 | S | 94 | Very high | 90.3 | Very high | 57 Ų | 57 | 57.8 Ų | 57.8 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.8 | -171 | 0 | 0 | 0 | 0 | 112.2 | M397 R398 A399 C405 | M397-S401 WeakPolarHBondContact O-CB 3.44Å; M397-S401 PolarHBondContact O-N 2.93Å; R398-S401 WeakPolarHBondContact O-CB 3.47Å; R398-S401 PolarHBondContact O-N 2.7Å; A399-S401 PolarHBondContact O-N 3.32Å; S401-C405 PolarHBondContact O-SG 2.65Å |
| 402 | F | 92.7 | Very high | 89.9 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 175.5 | 172 | -106.1 | 0 | 0 | 0 | 111.2 | L346 A349 H350 Y353 L364 R398 A399 A400 K404 C405 F406 | L346-F402 HydrophobicContact CD1-CD1 4.07Å; A349-F402 HydrophobicContact CB-CE1 4.22Å; H350-F402 HydrophobicContact CB-CD1 4.25Å; Y353-F402 HydrophobicContact CD1-CD2 4.29Å; Y353-F402 HydrophobicContact CD1-CE2 4.17Å; Y353-F402 AromaticContact CD2-CE2 3.85Å; Y353-F402 HydrophobicContact CD2-CE2 3.85Å; Y353-F402 HydrophobicContact CD2-CZ 4.34Å; Y353-F402 HydrophobicContact CE2-CE2 4.22Å; Y353-F402 HydrophobicContact CG-CD2 4.37Å; Y353-F402 AromaticContact CG-CE2 3.82Å; Y353-F402 HydrophobicContact CG-CE2 3.82Å; Y353-F402 HydrophobicContact CG-CZ 4.28Å; L364-F402 HydrophobicContact CD1-CE1 4.32Å; R398-F402 WeakPolarHBondContact O-CB 3.27Å; R398-F402 PolarHBondContact O-N 2.79Å; A399-F402 WeakPolarHBondContact O-CB 3.33Å; A399-F402 PolarHBondContact O-N 2.9Å; A400-F402 VanDerWaalsContact C-N 3.33Å; A400-F402 PolarHBondContact O-N 2.87Å; F402-K404 VanDerWaalsContact C-N 3.34Å; F402-K404 PolarHBondContact O-N 2.9Å; F402-C405 WeakPolarHBondContact O-CB 3.24Å; F402-C405 PolarHBondContact O-N 2.85Å; F402-F406 HydrophobicContact CD2-CE2 4.2Å; F402-F406 HydrophobicContact CE1-CE2 4.2Å; F402-F406 AromaticContact CE2-CE2 3.84Å; F402-F406 HydrophobicContact CE2-CE2 3.84Å; F402-F406 HydrophobicContact CE2-CZ 4.13Å; F402-F406 AromaticContact CZ-CE2 3.84Å; F402-F406 HydrophobicContact CZ-CE2 3.84Å; F402-F406 HydrophobicContact CZ-CZ 4.21Å; F402-F406 VanDerWaalsContact O-CD2 3.3Å; F402-F406 WeakPolarHBondContact O-CD2 3.49Å; F402-F406 WeakPolarHBondContact O-CE2 3.39Å |
| 403 | G | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | A399 A400 C405 F406 | A399-G403 PolarHBondContact O-N 2.86Å; A400-G403 PolarHBondContact O-N 3.44Å; G403-C405 PolarHBondContact O-N 3.04Å; G403-F406 PolarHBondContact O-N 2.98Å; G403-F406 VanDerWaalsContact O-N 3.12Å |
| 404 | K | 90.3 | Very high | 89.4 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -31.8 | 178.9 | -178.6 | -177.6 | 171.5 | -171.1 | 0 | 113.2 | A400 F402 F406 L407 F410 | A400-K404 WeakPolarHBondContact O-CB 3.06Å; A400-K404 PolarHBondContact O-N 2.86Å; F402-K404 VanDerWaalsContact C-N 3.34Å; F402-K404 PolarHBondContact O-N 2.9Å; K404-F406 PolarHBondContact O-N 2.78Å; K404-L407 PolarHBondContact O-N 2.71Å; K404-L407 VanDerWaalsContact O-N 3.16Å; K404-F410 HydrophobicContact CD-CD1 3.84Å; K404-F410 HydrophobicContact CD-CE1 4.18Å; K404-F410 HydrophobicContact CG-CD1 3.86Å; K404-F410 HydrophobicContact CG-CE1 4.44Å; K404-F410 HydrophobicContact CG-CG 4.44Å |
| 405 | C | 89.4 | Confident | 89.3 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 70% | 0.696 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -16.9 | 179.1 | -68.8 | 0 | 0 | 0 | 0 | 113.8 | S401 F402 G403 | S401-C405 PolarHBondContact O-SG 2.65Å; F402-C405 WeakPolarHBondContact O-CB 3.24Å; F402-C405 PolarHBondContact O-N 2.85Å; G403-C405 PolarHBondContact O-N 3.04Å |
| 406 | F | 88.6 | Confident | 89.2 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 37% | 0.368 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 7.4 | -178.2 | -54.6 | -80.5 | 0 | 0 | 0 | 113.9 | L364 K368 L373 F402 G403 K404 | L364-F406 HydrophobicContact CD1-CD2 3.88Å; L364-F406 HydrophobicContact CD1-CE2 4.12Å; L364-F406 HydrophobicContact CD1-CG 4.45Å; L364-F406 HydrophobicContact CD2-CD1 3.87Å; L364-F406 HydrophobicContact CD2-CD2 3.68Å; L364-F406 HydrophobicContact CD2-CE1 3.61Å; L364-F406 HydrophobicContact CD2-CE2 3.43Å; L364-F406 VanDerWaalsContact CD2-CE2 3.43Å; L364-F406 HydrophobicContact CD2-CG 3.89Å; L364-F406 HydrophobicContact CD2-CZ 3.38Å; L364-F406 HydrophobicContact CG-CD2 4.39Å; L364-F406 HydrophobicContact CG-CE2 4.44Å; K368-F406 VanDerWaalsContact CE-CB 3.42Å; K368-F406 VanDerWaalsContact NZ-CD1 3.27Å; L373-F406 HydrophobicContact CD2-CB 3.78Å; F402-F406 HydrophobicContact CD2-CE2 4.2Å; F402-F406 HydrophobicContact CE1-CE2 4.2Å; F402-F406 AromaticContact CE2-CE2 3.84Å; F402-F406 HydrophobicContact CE2-CE2 3.84Å; F402-F406 HydrophobicContact CE2-CZ 4.13Å; F402-F406 AromaticContact CZ-CE2 3.84Å; F402-F406 HydrophobicContact CZ-CE2 3.84Å; F402-F406 HydrophobicContact CZ-CZ 4.21Å; F402-F406 VanDerWaalsContact O-CD2 3.3Å; F402-F406 WeakPolarHBondContact O-CD2 3.49Å; F402-F406 WeakPolarHBondContact O-CE2 3.39Å; G403-F406 PolarHBondContact O-N 2.98Å; G403-F406 VanDerWaalsContact O-N 3.12Å; K404-F406 PolarHBondContact O-N 2.78Å |
| 407 | L | 87.3 | Confident | 89 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | trans | -103.7 | 135.1 | 175.2 | -66.6 | 171.3 | 0 | 0 | 0 | 110.1 | L373 V377 K404 F410 | L373-L407 HydrophobicContact CB-CD2 4.02Å; L373-L407 HydrophobicContact CD2-CD2 3.75Å; L373-L407 HydrophobicContact CD2-CG 3.89Å; L373-L407 HydrophobicContact CG-CD1 4.44Å; L373-L407 HydrophobicContact CG-CD2 3.89Å; L373-L407 HydrophobicContact CG-CG 4.09Å; V377-L407 HydrophobicContact CG2-CD1 4.11Å; K404-L407 PolarHBondContact O-N 2.71Å; K404-L407 VanDerWaalsContact O-N 3.16Å; L407-F410 HydrophobicContact CB-CB 4.04Å; L407-F410 HydrophobicContact CD1-CB 4.02Å; L407-F410 HydrophobicContact CD1-CD2 3.73Å; L407-F410 HydrophobicContact CD1-CG 4.04Å | ||
| 408 | T | 78.7 | Confident | 88.7 | Confident | 148 Ų | 148 | 64.9 Ų | 64.9 | 91% | 0.908 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -83.9 | -35.4 | 176.3 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 409 | E | 76.8 | Confident | 88.6 | Confident | 186 Ų | 186 | 60.7 Ų | 60.7 | 87% | 0.869 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -124.9 | 81.8 | -177.4 | -64.9 | -174.1 | 177.8 | 0 | 0 | 111.1 | ||
| 410 | F | 79.8 | Confident | 88.4 | Confident | 40 Ų | 40 | 65.8 Ų | 65.8 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | trans | -128.7 | 120.8 | 175.9 | -175.2 | -94.5 | 0 | 0 | 0 | 111.4 | V377 R378 K404 L407 P412 | V377-F410 HydrophobicContact CB-CE2 4.24Å; V377-F410 HydrophobicContact CB-CZ 4.4Å; V377-F410 HydrophobicContact CG1-CE1 4.06Å; V377-F410 HydrophobicContact CG1-CE2 3.79Å; V377-F410 HydrophobicContact CG1-CZ 3.48Å; V377-F410 VanDerWaalsContact CG1-CZ 3.48Å; R378-F410 HydrophobicContact CG-CE2 4.18Å; K404-F410 HydrophobicContact CD-CD1 3.84Å; K404-F410 HydrophobicContact CD-CE1 4.18Å; K404-F410 HydrophobicContact CG-CD1 3.86Å; K404-F410 HydrophobicContact CG-CE1 4.44Å; K404-F410 HydrophobicContact CG-CG 4.44Å; L407-F410 HydrophobicContact CB-CB 4.04Å; L407-F410 HydrophobicContact CD1-CB 4.02Å; L407-F410 HydrophobicContact CD1-CD2 3.73Å; L407-F410 HydrophobicContact CD1-CG 4.04Å; F410-P412 WeakPolarHBondContact O-CD 3.47Å | ||
| 411 | S | 83.9 | Confident | 88.3 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | trans | -65.1 | 124.2 | 173.7 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | D413 | S411-D413 PolarHBondContact O-N 2.7Å; S411-D413 WeakPolarHBondContact OG-CB 3.35Å; S411-D413 PolarHBondContact OG-N 2.85Å; S411-D413 PolarHBondContact OG-OD2 3.05Å | ||
| 412 | P | 84.8 | Confident | 88.2 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -71.7 | -9.4 | 176.9 | 31.9 | -36 | 0 | 0 | 0 | 113.3 | F410 Q414 F415 V416 | F410-P412 WeakPolarHBondContact O-CD 3.47Å; P412-Q414 PolarHBondContact O-N 3.36Å; P412-F415 PolarHBondContact O-N 3.47Å; P412-V416 HydrophobicContact CB-CG2 4.36Å; P412-V416 WeakPolarHBondContact O-CG2 3.48Å; P412-V416 PolarHBondContact O-N 3.49Å |
| 413 | D | 88.4 | Confident | 88.2 | Confident | 109 Ų | 109 | 71.6 Ų | 71.6 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.2 | -46.3 | -163.3 | -62.3 | -29.5 | 0 | 0 | 0 | 112.8 | S411 F415 V416 T417 | S411-D413 PolarHBondContact O-N 2.7Å; S411-D413 WeakPolarHBondContact OG-CB 3.35Å; S411-D413 PolarHBondContact OG-N 2.85Å; S411-D413 PolarHBondContact OG-OD2 3.05Å; D413-F415 PolarHBondContact O-N 3.26Å; D413-V416 PolarHBondContact O-N 2.91Å; D413-T417 VanDerWaalsContact O-CB 3.23Å; D413-T417 WeakPolarHBondContact O-CB 3.37Å; D413-T417 PolarHBondContact O-N 3.32Å; D413-T417 PolarHBondContact O-OG1 3.1Å |
| 414 | Q | 88.9 | Confident | 88.3 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | -180 | -169.9 | -178.1 | 16 | 0 | 0 | 111.6 | V381 P412 T418 | V381-Q414 HydrophobicContact CG1-CG 4.14Å; P412-Q414 PolarHBondContact O-N 3.36Å; Q414-T418 WeakPolarHBondContact O-CB 3.3Å; Q414-T418 PolarHBondContact O-N 3.45Å; Q414-T418 PolarHBondContact O-OG1 3.43Å |
| 415 | F | 91.7 | Very high | 88.4 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 178.3 | -178.5 | -84.7 | 0 | 0 | 0 | 111.5 | V381 M397 A400 P412 D413 C419 | V381-F415 HydrophobicContact CG2-CB 4.46Å; V381-F415 HydrophobicContact CG2-CD2 3.76Å; M397-F415 HydrophobicContact CE-CD1 4.45Å; M397-F415 HydrophobicContact CE-CD2 3.66Å; M397-F415 HydrophobicContact CE-CE1 4.38Å; M397-F415 HydrophobicContact CE-CE2 3.58Å; M397-F415 HydrophobicContact CE-CG 4.1Å; M397-F415 HydrophobicContact CE-CZ 3.96Å; M397-F415 WeakPolarHBondContact O-CE2 3.31Å; A400-F415 HydrophobicContact CB-CD2 4.16Å; A400-F415 HydrophobicContact CB-CE2 3.98Å; P412-F415 PolarHBondContact O-N 3.47Å; D413-F415 PolarHBondContact O-N 3.26Å; F415-C419 WeakPolarHBondContact O-CB 3.25Å; F415-C419 PolarHBondContact O-N 3.31Å; F415-C419 PolarHBondContact O-SG 2.92Å |
| 416 | V | 91.8 | Very high | 88.6 | Confident | 57 Ų | 57 | 66 Ų | 66 | 35% | 0.345 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | -180 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | P412 D413 C419 R420 | P412-V416 HydrophobicContact CB-CG2 4.36Å; P412-V416 WeakPolarHBondContact O-CG2 3.48Å; P412-V416 PolarHBondContact O-N 3.49Å; D413-V416 PolarHBondContact O-N 2.91Å; V416-C419 PolarHBondContact O-N 2.92Å; V416-R420 WeakPolarHBondContact O-CG 3.38Å; V416-R420 PolarHBondContact O-N 3.39Å; V416-R420 VanDerWaalsContact O-N 3.13Å |
| 417 | T | 90.4 | Very high | 88.9 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | D413 C419 R420 E421 | D413-T417 VanDerWaalsContact O-CB 3.23Å; D413-T417 WeakPolarHBondContact O-CB 3.37Å; D413-T417 PolarHBondContact O-N 3.32Å; D413-T417 PolarHBondContact O-OG1 3.1Å; T417-C419 VanDerWaalsContact C-N 3.34Å; T417-C419 PolarHBondContact O-N 3.19Å; T417-R420 WeakPolarHBondContact O-CA 3.33Å; T417-R420 WeakPolarHBondContact O-CB 3.49Å; T417-R420 PolarHBondContact O-N 3.22Å; T417-E421 HydrophobicContact CG2-CG 4.28Å; T417-E421 WeakPolarHBondContact O-CG 3.48Å; T417-E421 PolarHBondContact O-N 3.49Å |
| 418 | T | 91.3 | Very high | 89.1 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 179.3 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | V381 A385 M397 Q414 R420 E421 L422 | V381-T418 HydrophobicContact CG1-CG2 3.95Å; V381-T418 VanDerWaalsContact CG1-OG1 3.24Å; V381-T418 WeakPolarHBondContact CG1-OG1 3.46Å; A385-T418 HydrophobicContact CB-CG2 4.17Å; M397-T418 HydrophobicContact SD-CG2 4.42Å; Q414-T418 WeakPolarHBondContact O-CB 3.3Å; Q414-T418 PolarHBondContact O-N 3.45Å; Q414-T418 PolarHBondContact O-OG1 3.43Å; T418-R420 VanDerWaalsContact C-N 3.3Å; T418-R420 PolarHBondContact O-N 3.07Å; T418-E421 PolarHBondContact O-N 3.47Å; T418-L422 HydrophobicContact CG2-CD1 3.98Å; T418-L422 HydrophobicContact CG2-CG 4.18Å; T418-L422 WeakPolarHBondContact O-CB 3.41Å; T418-L422 WeakPolarHBondContact O-CG 3.02Å; T418-L422 PolarHBondContact O-N 3.03Å |
| 419 | C | 92.2 | Very high | 89.8 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 32% | 0.324 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.4 | -42.6 | 172.4 | -84.2 | 0 | 0 | 0 | 0 | 112.7 | M397 F415 V416 T417 R423 | M397-C419 WeakPolarHBondContact CE-SG 3.4Å; F415-C419 WeakPolarHBondContact O-CB 3.25Å; F415-C419 PolarHBondContact O-N 3.31Å; F415-C419 PolarHBondContact O-SG 2.92Å; V416-C419 PolarHBondContact O-N 2.92Å; T417-C419 VanDerWaalsContact C-N 3.34Å; T417-C419 PolarHBondContact O-N 3.19Å; C419-R423 PolarHBondContact O-N 3.22Å |
| 420 | R | 91.2 | Very high | 90.6 | Very high | 107 Ų | 107 | 51.6 Ų | 51.6 | 40% | 0.404 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | 178.9 | -71.5 | 174.3 | -179.2 | 171.4 | 4.3 | 111.2 | V416 T417 T418 R423 V424 Y470 L471 | V416-R420 WeakPolarHBondContact O-CG 3.38Å; V416-R420 PolarHBondContact O-N 3.39Å; V416-R420 VanDerWaalsContact O-N 3.13Å; T417-R420 WeakPolarHBondContact O-CA 3.33Å; T417-R420 WeakPolarHBondContact O-CB 3.49Å; T417-R420 PolarHBondContact O-N 3.22Å; T418-R420 VanDerWaalsContact C-N 3.3Å; T418-R420 PolarHBondContact O-N 3.07Å; R420-R423 PolarHBondContact O-N 3.06Å; R420-V424 WeakPolarHBondContact O-CG2 3.31Å; R420-V424 PolarHBondContact O-N 3.29Å; R420-Y470 HydrophobicContact CB-CE1 3.93Å; R420-Y470 HydrophobicContact CG-CE1 3.99Å; R420-L471 HydrophobicContact CB-CD2 4.25Å |
| 421 | E | 90.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 52 Ų | 52 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 179.9 | -66.8 | 178.3 | 157.4 | 0 | 0 | 111.7 | T417 T418 R423 V424 L425 H439 Y442 | T417-E421 HydrophobicContact CG2-CG 4.28Å; T417-E421 WeakPolarHBondContact O-CG 3.48Å; T417-E421 PolarHBondContact O-N 3.49Å; T418-E421 PolarHBondContact O-N 3.47Å; E421-R423 VanDerWaalsContact C-N 3.31Å; E421-R423 PolarHBondContact O-N 3.09Å; E421-V424 PolarHBondContact O-N 2.92Å; E421-L425 WeakPolarHBondContact O-CB 3.48Å; E421-L425 WeakPolarHBondContact O-CG 3.21Å; E421-L425 PolarHBondContact O-N 3.35Å; E421-H439 IonicContact OE2-CD2 2.73Å; E421-H439 IonicContact OE2-CE1 3.91Å; E421-H439 IonicContact OE2-NE2 2.88Å; E421-H439 PolarHBondContact OE2-NE2 3.22Å; E421-Y442 HydrophobicContact CB-CE1 4.2Å; E421-Y442 HydrophobicContact CG-CD1 4.25Å; E421-Y442 HydrophobicContact CG-CE1 3.7Å |
| 422 | L | 92.7 | Very high | 91.5 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 177.6 | -76.5 | 178.1 | 0 | 0 | 0 | 112.3 | A384 Q393 M397 T418 V424 L425 N426 | A384-L422 HydrophobicContact CB-CD1 4.16Å; Q393-L422 HydrophobicContact CB-CD1 4.48Å; Q393-L422 HydrophobicContact CG-CD2 4.42Å; M397-L422 HydrophobicContact CG-CD1 4.33Å; T418-L422 HydrophobicContact CG2-CD1 3.98Å; T418-L422 HydrophobicContact CG2-CG 4.18Å; T418-L422 WeakPolarHBondContact O-CB 3.41Å; T418-L422 WeakPolarHBondContact O-CG 3.02Å; T418-L422 PolarHBondContact O-N 3.03Å; L422-V424 PolarHBondContact O-N 3.46Å; L422-L425 PolarHBondContact O-N 2.76Å; L422-N426 WeakPolarHBondContact O-CB 3.21Å; L422-N426 PolarHBondContact O-N 2.97Å; L422-N426 PolarHBondContact O-ND2 3.41Å |
| 423 | R | 93.4 | Very high | 91.9 | Very high | 163 Ų | 163 | 49.8 Ų | 49.8 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 177.1 | -178.9 | 166.3 | -76.5 | 155 | -2.1 | 111.9 | C419 R420 E421 A427 Y470 | C419-R423 PolarHBondContact O-N 3.22Å; R420-R423 PolarHBondContact O-N 3.06Å; E421-R423 VanDerWaalsContact C-N 3.31Å; E421-R423 PolarHBondContact O-N 3.09Å; R423-A427 PolarHBondContact O-N 3.34Å; R423-Y470 HydrophobicContact CB-CE1 4.28Å; R423-Y470 HydrophobicContact CG-CE1 4.42Å; R423-Y470 PolarHBondContact NH1-OH 3.18Å |
| 424 | V | 92.2 | Very high | 92 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -46.2 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | R420 E421 L422 N426 A427 V428 Y442 L451 V467 Y470 L471 | R420-V424 WeakPolarHBondContact O-CG2 3.31Å; R420-V424 PolarHBondContact O-N 3.29Å; E421-V424 PolarHBondContact O-N 2.92Å; L422-V424 PolarHBondContact O-N 3.46Å; V424-N426 PolarHBondContact O-N 3.46Å; V424-A427 PolarHBondContact O-N 3.43Å; V424-V428 PolarHBondContact O-N 2.85Å; V424-Y442 HydrophobicContact CB-CE2 4.49Å; V424-Y442 HydrophobicContact CG1-CE2 3.95Å; V424-L451 HydrophobicContact CG1-CD2 3.85Å; V424-V467 HydrophobicContact CG1-CG1 3.94Å; V424-V467 HydrophobicContact CG1-CG2 4.22Å; V424-V467 HydrophobicContact CG2-CG1 4.13Å; V424-Y470 HydrophobicContact CG2-CD1 4.13Å; V424-Y470 HydrophobicContact CG2-CE1 4.42Å; V424-L471 HydrophobicContact CG2-CD1 4.2Å; V424-L471 HydrophobicContact CG2-CD2 4.15Å; V424-L471 HydrophobicContact CG2-CG 4.24Å |
| 425 | L | 92.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 178.3 | -79.1 | 171.7 | 0 | 0 | 0 | 111.8 | E421 L422 A427 V428 R429 L437 H439 Y442 | E421-L425 WeakPolarHBondContact O-CB 3.48Å; E421-L425 WeakPolarHBondContact O-CG 3.21Å; E421-L425 PolarHBondContact O-N 3.35Å; L422-L425 PolarHBondContact O-N 2.76Å; L425-A427 VanDerWaalsContact C-N 3.29Å; L425-A427 PolarHBondContact O-N 2.97Å; L425-V428 VanDerWaalsContact O-CG2 3.27Å; L425-V428 WeakPolarHBondContact O-CG2 3.26Å; L425-V428 PolarHBondContact O-N 2.93Å; L425-R429 VanDerWaalsContact O-CB 3.26Å; L425-R429 WeakPolarHBondContact O-CB 3.4Å; L425-R429 WeakPolarHBondContact O-CD 3.23Å; L425-R429 WeakPolarHBondContact O-CG 3.11Å; L425-R429 PolarHBondContact O-N 3.36Å; L425-L437 HydrophobicContact CD2-CB 3.9Å; L425-H439 HydrophobicContact CD1-CB 4.09Å; L425-Y442 HydrophobicContact CD2-CD2 3.74Å; L425-Y442 HydrophobicContact CD2-CG 4.18Å; L425-Y442 HydrophobicContact CG-CD2 4.08Å; L425-Y442 HydrophobicContact CG-CG 4.41Å |
| 426 | N | 94.3 | Very high | 92.2 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 178.9 | -69.1 | -17.3 | 0 | 0 | 0 | 112.3 | Q393 L422 V424 E430 | Q393-N426 PolarHBondContact NE2-OD1 2.82Å; Q393-N426 PolarHBondContact OE1-ND2 3.17Å; Q393-N426 PolarHBondContact OE1-OD1 3.39Å; L422-N426 WeakPolarHBondContact O-CB 3.21Å; L422-N426 PolarHBondContact O-N 2.97Å; L422-N426 PolarHBondContact O-ND2 3.41Å; V424-N426 PolarHBondContact O-N 3.46Å; N426-E430 PolarHBondContact O-N 2.93Å |
| 427 | A | 94.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 25% | 0.248 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R423 V424 L425 E430 L463 | R423-A427 PolarHBondContact O-N 3.34Å; V424-A427 PolarHBondContact O-N 3.43Å; L425-A427 VanDerWaalsContact C-N 3.29Å; L425-A427 PolarHBondContact O-N 2.97Å; A427-E430 WeakPolarHBondContact O-CB 3.1Å; A427-L463 HydrophobicContact CB-CD1 3.97Å |
| 428 | V | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.4 | -25.2 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | V424 L425 E430 V433 M435 L437 L451 L455 L463 | V424-V428 PolarHBondContact O-N 2.85Å; L425-V428 VanDerWaalsContact O-CG2 3.27Å; L425-V428 WeakPolarHBondContact O-CG2 3.26Å; L425-V428 PolarHBondContact O-N 2.93Å; V428-E430 VanDerWaalsContact C-N 3.28Å; V428-V433 HydrophobicContact CB-CG1 4.49Å; V428-V433 WeakPolarHBondContact O-CG1 3.41Å; V428-M435 CarbonylContact C-O 3.57Å; V428-M435 HydrophobicContact CB-CB 4.33Å; V428-M435 WeakPolarHBondContact O-CB 3.29Å; V428-M435 PolarHBondContact O-N 3.4Å; V428-M435 VanDerWaalsContact O-N 3.08Å; V428-L437 HydrophobicContact CG2-CD1 4.27Å; V428-L451 HydrophobicContact CG1-CD1 4.37Å; V428-L455 HydrophobicContact CG1-CD1 4.26Å; V428-L455 HydrophobicContact CG1-CD2 4.2Å; V428-L463 HydrophobicContact CG1-CD2 4.33Å |
| 429 | R | 93.3 | Very high | 92 | Very high | 23 Ų | 23 | 35.3 Ų | 35.3 | 9% | 0.087 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.6 | -19.3 | 173.7 | -74.5 | 166.4 | -175.3 | 177.3 | -1.2 | 112.8 | Y22 L425 S431 L437 | Y22-R429 WeakPolarHBondContact CE1-O 3.37Å; Y22-R429 PolarHBondContact OH-O 3.33Å; L425-R429 VanDerWaalsContact O-CB 3.26Å; L425-R429 WeakPolarHBondContact O-CB 3.4Å; L425-R429 WeakPolarHBondContact O-CD 3.23Å; L425-R429 WeakPolarHBondContact O-CG 3.11Å; L425-R429 PolarHBondContact O-N 3.36Å; R429-S431 PolarHBondContact O-N 3.49Å; R429-L437 VanDerWaalsContact CZ-O 3.27Å; R429-L437 PolarHBondContact NE-O 2.91Å; R429-L437 PolarHBondContact NH2-O 3.47Å |
| 430 | E | 93.9 | Very high | 91.8 | Very high | 111 Ų | 111 | 34.1 Ų | 34.1 | 52% | 0.519 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -50.8 | 138.7 | 178 | -164.1 | -172.5 | 142.8 | 0 | 0 | 110.8 | N426 A427 V428 S432 V433 G434 | N426-E430 PolarHBondContact O-N 2.93Å; A427-E430 WeakPolarHBondContact O-CB 3.1Å; V428-E430 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 3.41Å; E430-S432 VanDerWaalsContact O-N 3.15Å; E430-S432 PolarHBondContact OE1-OG 3.06Å; E430-V433 PolarHBondContact O-N 2.9Å; E430-G434 PolarHBondContact O-N 3.1Å |
| 431 | S | 91 | Very high | 91.5 | Very high | 48 Ų | 48 | 29.1 Ų | 29.1 | 34% | 0.336 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -30 | -174.2 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | S69 R429 V433 | S69-S431 WeakPolarHBondContact CB-O 3.4Å; S69-S431 PolarHBondContact OG-O 2.86Å; R429-S431 PolarHBondContact O-N 3.49Å; S431-V433 VanDerWaalsContact C-N 3.26Å; S431-V433 PolarHBondContact O-N 3.21Å |
| 432 | S | 91.2 | Very high | 91 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 45% | 0.448 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.6 | 174.8 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | E430 F460 | E430-S432 PolarHBondContact O-N 3.41Å; E430-S432 VanDerWaalsContact O-N 3.15Å; E430-S432 PolarHBondContact OE1-OG 3.06Å; S432-F460 WeakPolarHBondContact O-CZ 3.42Å |
| 433 | V | 92.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -44.6 | 176.2 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | V428 E430 S431 M435 L455 F460 L463 | V428-V433 HydrophobicContact CB-CG1 4.49Å; V428-V433 WeakPolarHBondContact O-CG1 3.41Å; E430-V433 PolarHBondContact O-N 2.9Å; S431-V433 VanDerWaalsContact C-N 3.26Å; S431-V433 PolarHBondContact O-N 3.21Å; V433-M435 HydrophobicContact CG1-CG 4.23Å; V433-M435 HydrophobicContact CG1-SD 4.32Å; V433-L455 HydrophobicContact CG1-CD2 4.08Å; V433-F460 HydrophobicContact CG1-CD2 4.17Å; V433-F460 HydrophobicContact CG1-CE2 4.11Å; V433-F460 HydrophobicContact CG1-CZ 4.49Å; V433-L463 HydrophobicContact CG1-CD2 4.25Å; V433-L463 HydrophobicContact CG2-CD2 3.65Å |
| 434 | G | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | 68.6 | 48.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A68 E430 | A68-G434 VanDerWaalsContact CB-O 3.23Å; A68-G434 WeakPolarHBondContact CB-O 3.36Å; A68-G434 PolarHBondContact N-O 2.92Å; E430-G434 PolarHBondContact O-N 3.1Å | ||
| 435 | M | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -125 | 90 | 174.4 | -66.1 | -178.5 | 66.4 | 0 | 0 | 111.1 | Y22 V428 V433 L437 L451 R454 L455 | Y22-M435 PolarHBondContact OH-N 3.31Å; V428-M435 CarbonylContact C-O 3.57Å; V428-M435 HydrophobicContact CB-CB 4.33Å; V428-M435 WeakPolarHBondContact O-CB 3.29Å; V428-M435 PolarHBondContact O-N 3.4Å; V428-M435 VanDerWaalsContact O-N 3.08Å; V433-M435 HydrophobicContact CG1-CG 4.23Å; V433-M435 HydrophobicContact CG1-SD 4.32Å; M435-L437 HydrophobicContact CE-CD1 4.26Å; M435-L437 PolarHBondContact O-N 3.28Å; M435-L451 HydrophobicContact CE-CD1 4.03Å; M435-R454 HydrophobicContact CE-CB 4.04Å; M435-L455 HydrophobicContact SD-CD2 3.98Å | ||
| 436 | P | 92.5 | Very high | 84.4 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | trans | -80.9 | 63 | -173.8 | 33.9 | -36.2 | 0 | 0 | 0 | 111.5 | L21 Y22 A68 | L21-P436 HydrophobicContact CB-CB 4.31Å; L21-P436 HydrophobicContact CD1-CB 3.75Å; L21-P436 HydrophobicContact CD1-CG 4.12Å; L21-P436 HydrophobicContact CD2-CB 4.17Å; L21-P436 HydrophobicContact CG-CB 4.31Å; Y22-P436 HydrophobicContact CE2-CB 3.69Å; Y22-P436 HydrophobicContact CE2-CG 3.72Å; A68-P436 HydrophobicContact CB-CG 4.05Å | ||
| 437 | L | 91.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -75 | 135.6 | -178.7 | -69.2 | 175.1 | 0 | 0 | 0 | 111.2 | Y42 L425 V428 R429 M435 L451 | Y42-L437 WeakPolarHBondContact O-CD2 3.18Å; L425-L437 HydrophobicContact CD2-CB 3.9Å; V428-L437 HydrophobicContact CG2-CD1 4.27Å; R429-L437 VanDerWaalsContact CZ-O 3.27Å; R429-L437 PolarHBondContact NE-O 2.91Å; R429-L437 PolarHBondContact NH2-O 3.47Å; M435-L437 HydrophobicContact CE-CD1 4.26Å; M435-L437 PolarHBondContact O-N 3.28Å; L437-L451 HydrophobicContact CD1-CD1 3.7Å | ||
| 438 | T | 90.4 | Very high | 81.9 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | trans | -83.6 | 159.4 | 171.6 | 77 | 0 | 0 | 0 | 0 | 110.4 | D311 L323 Y388 T440 Q441 Y442 | D311-T438 VanDerWaalsContact CG-OG1 3.25Å; D311-T438 PolarHBondContact OD1-OG1 3.32Å; D311-T438 WeakPolarHBondContact OD2-CB 3.43Å; D311-T438 WeakPolarHBondContact OD2-CG2 3.33Å; D311-T438 PolarHBondContact OD2-OG1 2.93Å; L323-T438 HydrophobicContact CD2-CG2 3.97Å; Y388-T438 WeakPolarHBondContact OH-CG2 3.15Å; T438-T440 PolarHBondContact O-N 3.32Å; T438-T440 PolarHBondContact OG1-N 3.3Å; T438-Q441 PolarHBondContact O-N 3.43Å; T438-Q441 WeakPolarHBondContact OG1-CG 3.42Å; T438-Q441 PolarHBondContact OG1-N 3.45Å; T438-Q441 VanDerWaalsContact OG1-N 3.14Å; T438-Y442 PolarHBondContact O-N 2.82Å | ||
| 439 | H | 88.6 | Confident | 81.2 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 17% | 0.167 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30 | 172.4 | -179.7 | -93.3 | 0 | 0 | 0 | 112.2 | A385 E421 L425 Q441 Y442 P443 | A385-H439 HydrophobicContact CB-CB 4.15Å; A385-H439 WeakPolarHBondContact O-CB 3.38Å; E421-H439 IonicContact OE2-CD2 2.73Å; E421-H439 IonicContact OE2-CE1 3.91Å; E421-H439 IonicContact OE2-NE2 2.88Å; E421-H439 PolarHBondContact OE2-NE2 3.22Å; L425-H439 HydrophobicContact CD1-CB 4.09Å; H439-Q441 VanDerWaalsContact C-N 3.33Å; H439-Q441 PolarHBondContact O-N 3.14Å; H439-Y442 PolarHBondContact O-N 3.36Å; H439-P443 WeakPolarHBondContact O-CD 3.24Å |
| 440 | T | 86.8 | Confident | 80.7 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -32.8 | 177.6 | -58 | 0 | 0 | 0 | 0 | 112 | P271 L310 D311 T438 Y442 A444 | P271-T440 HydrophobicContact CG-CG2 3.82Å; L310-T440 HydrophobicContact CD2-CG2 4.05Å; D311-T440 HydrophobicContact CB-CG2 4.2Å; D311-T440 WeakPolarHBondContact OD2-CB 3.23Å; T438-T440 PolarHBondContact O-N 3.32Å; T438-T440 PolarHBondContact OG1-N 3.3Å; T440-Y442 VanDerWaalsContact C-N 3.35Å; T440-A444 VanDerWaalsContact O-CB 3.29Å; T440-A444 WeakPolarHBondContact O-CB 3.28Å |
| 441 | Q | 86.2 | Confident | 80.4 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.7 | -28.9 | 176 | -67.1 | 164.3 | 11 | 0 | 0 | 112.5 | Y42 L310 D311 T438 H439 | Y42-Q441 HydrophobicContact CD1-CB 4.27Å; Y42-Q441 HydrophobicContact CD1-CG 4.04Å; L310-Q441 HydrophobicContact CB-CG 4.18Å; D311-Q441 PolarHBondContact OD1-NE2 3.27Å; T438-Q441 PolarHBondContact O-N 3.43Å; T438-Q441 WeakPolarHBondContact OG1-CG 3.42Å; T438-Q441 PolarHBondContact OG1-N 3.45Å; T438-Q441 VanDerWaalsContact OG1-N 3.14Å; H439-Q441 VanDerWaalsContact C-N 3.33Å; H439-Q441 PolarHBondContact O-N 3.14Å |
| 442 | Y | 78.6 | Confident | 80.3 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -47 | -170.7 | 179.6 | -85.7 | 0 | 0 | 0 | 114.3 | E421 V424 L425 T438 H439 T440 M446 L448 L451 | E421-Y442 HydrophobicContact CB-CE1 4.2Å; E421-Y442 HydrophobicContact CG-CD1 4.25Å; E421-Y442 HydrophobicContact CG-CE1 3.7Å; V424-Y442 HydrophobicContact CB-CE2 4.49Å; V424-Y442 HydrophobicContact CG1-CE2 3.95Å; L425-Y442 HydrophobicContact CD2-CD2 3.74Å; L425-Y442 HydrophobicContact CD2-CG 4.18Å; L425-Y442 HydrophobicContact CG-CD2 4.08Å; L425-Y442 HydrophobicContact CG-CG 4.41Å; T438-Y442 PolarHBondContact O-N 2.82Å; H439-Y442 PolarHBondContact O-N 3.36Å; T440-Y442 VanDerWaalsContact C-N 3.35Å; Y442-M446 WeakPolarHBondContact O-CB 3.37Å; Y442-L448 VanDerWaalsContact OH-CD2 3.25Å; Y442-L448 WeakPolarHBondContact OH-CD2 2.82Å; Y442-L451 HydrophobicContact CD2-CD2 4.27Å; Y442-L451 HydrophobicContact CE2-CD2 3.71Å |
| 443 | P | 66.8 | Low | 80.1 | Confident | 76 Ų | 76 | 31.5 Ų | 31.5 | 49% | 0.494 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -87.4 | -31.8 | 175.1 | -14.7 | 29.9 | 0 | 0 | 0 | 114.5 | H439 | H439-P443 WeakPolarHBondContact O-CD 3.24Å |
| 444 | A | 55.9 | Low | 79.9 | Confident | 67 Ų | 67 | 32 Ų | 32 | 55% | 0.554 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -77.2 | -31 | -163.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L310 T440 | L310-A444 HydrophobicContact CD2-CB 4.19Å; T440-A444 VanDerWaalsContact O-CB 3.29Å; T440-A444 WeakPolarHBondContact O-CB 3.28Å |
| 445 | L | 51.6 | Low | 79.9 | Confident | 86 Ų | 86 | 32 Ų | 32 | 45% | 0.45 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138 | -12.7 | -174.2 | -71 | 163.1 | 0 | 0 | 0 | 113.3 | Y42 F226 L310 | Y42-L445 HydrophobicContact CE1-CB 4.07Å; Y42-L445 HydrophobicContact CE1-CD1 3.79Å; Y42-L445 WeakPolarHBondContact OH-CD1 3.4Å; F226-L445 HydrophobicContact CE1-CD1 4.31Å; L310-L445 HydrophobicContact CD1-CD1 4.14Å; L310-L445 HydrophobicContact CD2-CD1 3.94Å |
| 446 | M | 57.6 | Low | 79.9 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.034 | 19% | 0.185 | C | C | . | . | trans | -101.8 | 101.6 | 169.4 | -58.5 | -96.1 | 125.4 | 0 | 0 | 107.6 | Y42 Y442 V450 | Y42-M446 HydrophobicContact CD2-CE 4.24Å; Y42-M446 HydrophobicContact CG-CE 4.17Å; Y442-M446 WeakPolarHBondContact O-CB 3.37Å; M446-V450 HydrophobicContact CE-CG1 3.68Å; M446-V450 HydrophobicContact SD-CB 4.36Å; M446-V450 HydrophobicContact SD-CG1 3.76Å | ||
| 447 | T | 66.9 | Low | 79.7 | Confident | 86 Ų | 86 | 34.2 Ų | 34.2 | 53% | 0.528 | 19% | 0.193 | S | C | . | . | trans | -59.4 | 148.6 | 154.7 | 54 | 0 | 0 | 0 | 0 | 106.6 | Q449 V450 L451 | T447-Q449 CarbonylContact O-C 3.46Å; T447-Q449 PolarHBondContact O-N 3.07Å; T447-V450 PolarHBondContact O-N 3.36Å; T447-V450 WeakPolarHBondContact OG1-CG2 3.2Å; T447-L451 PolarHBondContact O-N 2.93Å | ||
| 448 | L | 68.9 | Low | 79.6 | Confident | 73 Ų | 73 | 35 Ų | 35 | 38% | 0.382 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -45.7 | -31.7 | 175 | -81.6 | 164.1 | 0 | 0 | 0 | 112.4 | Y442 I452 L471 I473 | Y442-L448 VanDerWaalsContact OH-CD2 3.25Å; Y442-L448 WeakPolarHBondContact OH-CD2 2.82Å; L448-I452 VanDerWaalsContact O-CG1 3.32Å; L448-I452 WeakPolarHBondContact O-CG1 3.42Å; L448-I452 PolarHBondContact O-N 3.42Å; L448-L471 HydrophobicContact CD1-CD1 4.38Å; L448-L471 HydrophobicContact CD2-CD1 3.25Å; L448-L471 HydrophobicContact CG-CD1 4.41Å; L448-I473 HydrophobicContact CB-CD1 4.34Å |
| 449 | Q | 78.4 | Confident | 79.7 | Confident | 73 Ų | 73 | 38.7 Ų | 38.7 | 34% | 0.341 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.3 | -63.5 | -178.2 | -8.4 | 0 | 0 | 113.8 | T447 I452 D453 | T447-Q449 CarbonylContact O-C 3.46Å; T447-Q449 PolarHBondContact O-N 3.07Å; Q449-I452 PolarHBondContact O-N 2.8Å; Q449-D453 WeakPolarHBondContact O-CB 3.37Å; Q449-D453 PolarHBondContact O-N 3.38Å |
| 450 | V | 82.9 | Confident | 79.9 | Confident | 47 Ų | 47 | 40 Ų | 40 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 179.5 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | M446 T447 D453 R454 | M446-V450 HydrophobicContact CE-CG1 3.68Å; M446-V450 HydrophobicContact SD-CB 4.36Å; M446-V450 HydrophobicContact SD-CG1 3.76Å; T447-V450 PolarHBondContact O-N 3.36Å; T447-V450 WeakPolarHBondContact OG1-CG2 3.2Å; V450-D453 PolarHBondContact O-N 3.23Å; V450-R454 WeakPolarHBondContact O-CG 3.38Å; V450-R454 PolarHBondContact O-N 3.46Å |
| 451 | L | 86.5 | Confident | 80.2 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 175 | 178.2 | 60.4 | 0 | 0 | 0 | 111 | V424 V428 M435 L437 Y442 T447 D453 R454 L455 | V424-L451 HydrophobicContact CG1-CD2 3.85Å; V428-L451 HydrophobicContact CG1-CD1 4.37Å; M435-L451 HydrophobicContact CE-CD1 4.03Å; L437-L451 HydrophobicContact CD1-CD1 3.7Å; Y442-L451 HydrophobicContact CD2-CD2 4.27Å; Y442-L451 HydrophobicContact CE2-CD2 3.71Å; T447-L451 PolarHBondContact O-N 2.93Å; L451-D453 VanDerWaalsContact C-N 3.32Å; L451-D453 PolarHBondContact O-N 2.91Å; L451-R454 PolarHBondContact O-N 3.29Å; L451-L455 HydrophobicContact CD1-CG 4.46Å; L451-L455 HydrophobicContact CG-CD1 4.34Å; L451-L455 WeakPolarHBondContact O-CG 3.38Å; L451-L455 PolarHBondContact O-N 3.42Å |
| 452 | I | 88.6 | Confident | 80.5 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.7 | -65 | -58.8 | 0 | 0 | 0 | 110.5 | L448 Q449 R454 L455 V456 A464 V467 C468 I473 V482 | L448-I452 VanDerWaalsContact O-CG1 3.32Å; L448-I452 WeakPolarHBondContact O-CG1 3.42Å; L448-I452 PolarHBondContact O-N 3.42Å; Q449-I452 PolarHBondContact O-N 2.8Å; I452-R454 VanDerWaalsContact C-N 3.33Å; I452-R454 PolarHBondContact O-N 3.27Å; I452-L455 HydrophobicContact CD1-CD1 4.49Å; I452-L455 PolarHBondContact O-N 2.87Å; I452-V456 HydrophobicContact CG2-CG2 4Å; I452-V456 VanDerWaalsContact O-CB 3.23Å; I452-V456 WeakPolarHBondContact O-CB 3.47Å; I452-V456 WeakPolarHBondContact O-CG2 3.33Å; I452-V456 PolarHBondContact O-N 2.95Å; I452-A464 HydrophobicContact CD1-CB 4.42Å; I452-V467 HydrophobicContact CD1-CB 4.09Å; I452-V467 HydrophobicContact CD1-CG1 3.84Å; I452-C468 VanDerWaalsContact CD1-SG 3.59Å; I452-I473 HydrophobicContact CG1-CD1 4.45Å; I452-V482 HydrophobicContact CG2-CG2 3.74Å |
| 453 | D | 87.7 | Confident | 81.2 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 178.1 | -73 | -24.8 | 0 | 0 | 0 | 112 | Q449 V450 L451 V456 Y457 R481 | Q449-D453 WeakPolarHBondContact O-CB 3.37Å; Q449-D453 PolarHBondContact O-N 3.38Å; V450-D453 PolarHBondContact O-N 3.23Å; L451-D453 VanDerWaalsContact C-N 3.32Å; L451-D453 PolarHBondContact O-N 2.91Å; D453-V456 PolarHBondContact O-N 3.39Å; D453-Y457 WeakPolarHBondContact O-CB 3.49Å; D453-Y457 PolarHBondContact O-N 3.46Å; D453-R481 IonicContact OD1-CZ 2.83Å; D453-R481 IonicContact OD1-NE 3.68Å; D453-R481 PolarHBondContact OD1-NE 3.31Å; D453-R481 IonicContact OD1-NH1 2.62Å; D453-R481 PolarHBondContact OD1-NH1 3.22Å; D453-R481 IonicContact OD1-NH2 2.6Å; D453-R481 PolarHBondContact OD1-NH2 2.96Å; D453-R481 IonicContact OD2-CZ 2.77Å; D453-R481 VanDerWaalsContact OD2-CZ 3.31Å; D453-R481 IonicContact OD2-NH1 2.98Å; D453-R481 PolarHBondContact OD2-NH1 2.74Å; D453-R481 IonicContact OD2-NH2 2.79Å; D453-R481 PolarHBondContact OD2-NH2 2.78Å |
| 454 | R | 88.3 | Confident | 82.5 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 6% | 0.06 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 174.1 | -75 | 179.6 | 170.3 | -141 | -7.3 | 112.6 | Y42 D92 M435 V450 L451 I452 V456 Y457 R458 | Y42-R454 PolarHBondContact O-NH1 3.49Å; D92-R454 IonicContact OD1-CZ 3.68Å; D92-R454 IonicContact OD1-NH2 2.67Å; M435-R454 HydrophobicContact CE-CB 4.04Å; V450-R454 WeakPolarHBondContact O-CG 3.38Å; V450-R454 PolarHBondContact O-N 3.46Å; L451-R454 PolarHBondContact O-N 3.29Å; I452-R454 VanDerWaalsContact C-N 3.33Å; I452-R454 PolarHBondContact O-N 3.27Å; R454-V456 VanDerWaalsContact C-N 3.33Å; R454-V456 PolarHBondContact O-N 2.97Å; R454-Y457 PolarHBondContact O-N 3.38Å; R454-R458 WeakPolarHBondContact O-CB 3.47Å; R454-R458 WeakPolarHBondContact O-CG 3.12Å; R454-R458 PolarHBondContact O-N 2.74Å |
| 455 | L | 91.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 176.1 | -70.8 | 173.8 | 0 | 0 | 0 | 111.4 | V428 V433 M435 L451 I452 R458 Q459 F460 L463 A464 | V428-L455 HydrophobicContact CG1-CD1 4.26Å; V428-L455 HydrophobicContact CG1-CD2 4.2Å; V433-L455 HydrophobicContact CG1-CD2 4.08Å; M435-L455 HydrophobicContact SD-CD2 3.98Å; L451-L455 HydrophobicContact CD1-CG 4.46Å; L451-L455 HydrophobicContact CG-CD1 4.34Å; L451-L455 WeakPolarHBondContact O-CG 3.38Å; L451-L455 PolarHBondContact O-N 3.42Å; I452-L455 HydrophobicContact CD1-CD1 4.49Å; I452-L455 PolarHBondContact O-N 2.87Å; L455-R458 CarbonylContact O-C 3.55Å; L455-R458 PolarHBondContact O-N 3.27Å; L455-Q459 PolarHBondContact O-N 3.19Å; L455-Q459 VanDerWaalsContact O-N 3.13Å; L455-F460 HydrophobicContact CB-CB 4.45Å; L455-F460 HydrophobicContact CD2-CB 4.21Å; L455-F460 HydrophobicContact CD2-CD2 4.43Å; L455-F460 PolarHBondContact O-N 2.87Å; L455-L463 HydrophobicContact CD1-CG 4.49Å; L455-L463 HydrophobicContact CD2-CD2 4.16Å; L455-A464 HydrophobicContact CB-CB 4.05Å; L455-A464 HydrophobicContact CD1-CB 4.4Å |
| 456 | V | 91.8 | Very high | 86.2 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -42.5 | 178.5 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | I452 D453 R454 R458 Q459 Y461 A464 V482 H485 | I452-V456 HydrophobicContact CG2-CG2 4Å; I452-V456 VanDerWaalsContact O-CB 3.23Å; I452-V456 WeakPolarHBondContact O-CB 3.47Å; I452-V456 WeakPolarHBondContact O-CG2 3.33Å; I452-V456 PolarHBondContact O-N 2.95Å; D453-V456 PolarHBondContact O-N 3.39Å; R454-V456 VanDerWaalsContact C-N 3.33Å; R454-V456 PolarHBondContact O-N 2.97Å; V456-R458 VanDerWaalsContact C-N 3.32Å; V456-Q459 PolarHBondContact O-N 2.82Å; V456-Y461 HydrophobicContact CG1-CE1 4.18Å; V456-A464 HydrophobicContact CG2-CB 4.13Å; V456-V482 HydrophobicContact CG2-CB 4.17Å; V456-V482 HydrophobicContact CG2-CG1 3.98Å; V456-V482 HydrophobicContact CG2-CG2 3.71Å; V456-H485 HydrophobicContact CG1-CB 3.41Å; V456-H485 VanDerWaalsContact CG1-CB 3.41Å; V456-H485 WeakPolarHBondContact CG1-ND1 3.3Å; V456-H485 PolarHBondContact O-CE1 2.81Å; V456-H485 PolarHBondContact O-ND1 2.91Å |
| 457 | Y | 88.9 | Confident | 87.8 | Confident | 46 Ų | 46 | 39.7 Ų | 39.7 | 18% | 0.18 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 177.1 | -173.3 | -123.2 | 0 | 0 | 0 | 111.7 | N91 D92 D107 L108 F109 D453 R454 Q459 | N91-Y457 WeakPolarHBondContact O-CE1 3.36Å; D92-Y457 HydrophobicContact CB-CD1 4.25Å; D92-Y457 HydrophobicContact CB-CE1 4.12Å; D107-Y457 VanDerWaalsContact CA-OH 3.31Å; D107-Y457 WeakPolarHBondContact CA-OH 3.34Å; D107-Y457 WeakPolarHBondContact CB-OH 3.44Å; L108-Y457 HydrophobicContact CB-CE1 4.24Å; L108-Y457 HydrophobicContact CD1-CD1 3.27Å; L108-Y457 HydrophobicContact CD1-CE1 3.33Å; L108-Y457 HydrophobicContact CD1-CG 4.2Å; L108-Y457 HydrophobicContact CG-CD1 4.03Å; L108-Y457 HydrophobicContact CG-CE1 3.53Å; L108-Y457 PolarHBondContact N-OH 3.48Å; F109-Y457 WeakPolarHBondContact CE2-O 3.42Å; D453-Y457 WeakPolarHBondContact O-CB 3.49Å; D453-Y457 PolarHBondContact O-N 3.46Å; R454-Y457 PolarHBondContact O-N 3.38Å; Y457-Q459 PolarHBondContact O-N 3.36Å |
| 458 | R | 89.6 | Confident | 88.9 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 1.5 | 171.5 | -68.5 | 174.6 | -172.3 | -136.1 | 9.8 | 114.5 | D92 L108 R454 L455 V456 F460 | D92-R458 IonicContact OD2-CZ 3.11Å; D92-R458 IonicContact OD2-NE 2.6Å; D92-R458 IonicContact OD2-NH2 2.73Å; D92-R458 PolarHBondContact OD2-NH2 3.38Å; D92-R458 VanDerWaalsContact OD2-NH2 3.07Å; L108-R458 HydrophobicContact CD1-CG 3.65Å; R454-R458 WeakPolarHBondContact O-CB 3.47Å; R454-R458 WeakPolarHBondContact O-CG 3.12Å; R454-R458 PolarHBondContact O-N 2.74Å; L455-R458 CarbonylContact O-C 3.55Å; L455-R458 PolarHBondContact O-N 3.27Å; V456-R458 VanDerWaalsContact C-N 3.32Å; R458-F460 VanDerWaalsContact C-N 3.28Å; R458-F460 HydrophobicContact CB-CD2 3.58Å; R458-F460 HydrophobicContact CB-CE2 3.84Å; R458-F460 PolarHBondContact O-N 3.32Å |
| 459 | Q | 91.2 | Very high | 90 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 38% | 0.383 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 20.3 | -179.5 | -55.3 | -178.3 | 22.9 | 0 | 0 | 115.6 | F109 L455 V456 Y457 Y461 | F109-Q459 HydrophobicContact CE1-CG 4.5Å; F109-Q459 HydrophobicContact CE2-CG 4.09Å; F109-Q459 HydrophobicContact CZ-CB 4.43Å; F109-Q459 HydrophobicContact CZ-CG 3.63Å; L455-Q459 PolarHBondContact O-N 3.19Å; L455-Q459 VanDerWaalsContact O-N 3.13Å; V456-Q459 PolarHBondContact O-N 2.82Å; Y457-Q459 PolarHBondContact O-N 3.36Å; Q459-Y461 HydrophobicContact CB-CD2 4.15Å; Q459-Y461 HydrophobicContact CB-CE2 3.53Å; Q459-Y461 HydrophobicContact CG-CE2 3.88Å; Q459-Y461 WeakPolarHBondContact O-CD2 3.33Å; Q459-Y461 PolarHBondContact O-N 3.48Å |
| 460 | F | 92.6 | Very high | 90.6 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 28% | 0.281 | 19% | 0.185 | S | C | . | . | trans | -79.2 | 52.6 | 170.5 | -67.6 | -67.4 | 0 | 0 | 0 | 112.1 | S432 V433 L455 R458 L463 A464 | S432-F460 WeakPolarHBondContact O-CZ 3.42Å; V433-F460 HydrophobicContact CG1-CD2 4.17Å; V433-F460 HydrophobicContact CG1-CE2 4.11Å; V433-F460 HydrophobicContact CG1-CZ 4.49Å; L455-F460 HydrophobicContact CB-CB 4.45Å; L455-F460 HydrophobicContact CD2-CB 4.21Å; L455-F460 HydrophobicContact CD2-CD2 4.43Å; L455-F460 PolarHBondContact O-N 2.87Å; R458-F460 VanDerWaalsContact C-N 3.28Å; R458-F460 HydrophobicContact CB-CD2 3.58Å; R458-F460 HydrophobicContact CB-CE2 3.84Å; R458-F460 PolarHBondContact O-N 3.32Å; F460-L463 PolarHBondContact O-N 2.92Å; F460-A464 PolarHBondContact O-N 3.05Å | ||
| 461 | Y | 93.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | -175.1 | -54.1 | -76.6 | 0 | 0 | 0 | 114.6 | V456 Q459 L463 A464 I465 V482 H485 W486 C489 | V456-Y461 HydrophobicContact CG1-CE1 4.18Å; Q459-Y461 HydrophobicContact CB-CD2 4.15Å; Q459-Y461 HydrophobicContact CB-CE2 3.53Å; Q459-Y461 HydrophobicContact CG-CE2 3.88Å; Q459-Y461 WeakPolarHBondContact O-CD2 3.33Å; Q459-Y461 PolarHBondContact O-N 3.48Å; Y461-L463 PolarHBondContact O-N 3.36Å; Y461-A464 PolarHBondContact O-N 3.43Å; Y461-I465 VanDerWaalsContact O-CG1 3.32Å; Y461-I465 WeakPolarHBondContact O-CG1 3.35Å; Y461-I465 PolarHBondContact O-N 3Å; Y461-V482 HydrophobicContact CD1-CG1 3.95Å; Y461-H485 AromaticContact CE1-ND1 3.58Å; Y461-H485 AromaticContact CZ-ND1 3.9Å; Y461-H485 PolarHBondContact OH-ND1 3.22Å; Y461-W486 HydrophobicContact CD1-CB 3.61Å; Y461-W486 HydrophobicContact CD1-CG 4.34Å; Y461-W486 HydrophobicContact CD2-CB 4.4Å; Y461-W486 AromaticContact CD2-CD1 3.55Å; Y461-W486 HydrophobicContact CD2-CG 4.33Å; Y461-W486 VanDerWaalsContact CE1-CA 3.44Å; Y461-W486 HydrophobicContact CE1-CB 3.54Å; Y461-W486 HydrophobicContact CE1-CG 4.4Å; Y461-W486 HydrophobicContact CE2-CB 4.34Å; Y461-W486 AromaticContact CE2-CD1 3.62Å; Y461-W486 HydrophobicContact CE2-CG 4.39Å; Y461-W486 HydrophobicContact CG-CB 4.04Å; Y461-W486 AromaticContact CG-CD1 3.88Å; Y461-W486 HydrophobicContact CG-CG 4.28Å; Y461-C489 WeakPolarHBondContact OH-CB 3.42Å; Y461-C489 PolarHBondContact OH-SG 3.42Å; Y461-C489 VanDerWaalsContact OH-SG 3.32Å |
| 462 | P | 93.3 | Very high | 91 | Very high | 87 Ų | 87 | 46.8 Ų | 46.8 | 57% | 0.565 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.7 | -47.1 | 179.2 | -23.1 | 35 | 0 | 0 | 0 | 111.9 | A464 I465 E466 | P462-A464 PolarHBondContact O-N 2.85Å; P462-I465 PolarHBondContact O-N 3.48Å; P462-E466 WeakPolarHBondContact O-CG 3.45Å; P462-E466 PolarHBondContact O-N 3.13Å |
| 463 | L | 93.7 | Very high | 90.9 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 178.3 | -179.5 | 59.7 | 0 | 0 | 0 | 111.4 | A427 V428 V433 L455 F460 Y461 I465 E466 V467 | A427-L463 HydrophobicContact CB-CD1 3.97Å; V428-L463 HydrophobicContact CG1-CD2 4.33Å; V433-L463 HydrophobicContact CG1-CD2 4.25Å; V433-L463 HydrophobicContact CG2-CD2 3.65Å; L455-L463 HydrophobicContact CD1-CG 4.49Å; L455-L463 HydrophobicContact CD2-CD2 4.16Å; F460-L463 PolarHBondContact O-N 2.92Å; Y461-L463 PolarHBondContact O-N 3.36Å; L463-I465 VanDerWaalsContact C-N 3.33Å; L463-I465 PolarHBondContact O-N 2.93Å; L463-E466 PolarHBondContact O-N 3.35Å; L463-V467 HydrophobicContact CD1-CG2 4.11Å; L463-V467 HydrophobicContact CG-CG2 4.36Å; L463-V467 VanDerWaalsContact O-CG2 3.29Å; L463-V467 WeakPolarHBondContact O-CG2 3.48Å; L463-V467 PolarHBondContact O-N 3.5Å |
| 464 | A | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I452 L455 V456 F460 Y461 P462 V467 C468 V482 | I452-A464 HydrophobicContact CD1-CB 4.42Å; L455-A464 HydrophobicContact CB-CB 4.05Å; L455-A464 HydrophobicContact CD1-CB 4.4Å; V456-A464 HydrophobicContact CG2-CB 4.13Å; F460-A464 PolarHBondContact O-N 3.05Å; Y461-A464 PolarHBondContact O-N 3.43Å; P462-A464 PolarHBondContact O-N 2.85Å; A464-V467 PolarHBondContact O-N 3.33Å; A464-C468 PolarHBondContact O-N 2.91Å; A464-C468 PolarHBondContact O-SG 3.39Å; A464-V482 HydrophobicContact CB-CG1 4.11Å; A464-V482 HydrophobicContact CB-CG2 4.07Å |
| 465 | I | 92.2 | Very high | 90.5 | Very high | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 176.9 | -68.7 | 170.4 | 0 | 0 | 0 | 111.1 | Y461 P462 L463 V467 C468 R469 V479 V482 L483 | Y461-I465 VanDerWaalsContact O-CG1 3.32Å; Y461-I465 WeakPolarHBondContact O-CG1 3.35Å; Y461-I465 PolarHBondContact O-N 3Å; P462-I465 PolarHBondContact O-N 3.48Å; L463-I465 VanDerWaalsContact C-N 3.33Å; L463-I465 PolarHBondContact O-N 2.93Å; I465-V467 VanDerWaalsContact C-N 3.35Å; I465-V467 PolarHBondContact O-N 3.44Å; I465-C468 PolarHBondContact O-N 3.01Å; I465-R469 HydrophobicContact CG2-CG 4.45Å; I465-R469 WeakPolarHBondContact O-CG 3.37Å; I465-R469 PolarHBondContact O-N 3.32Å; I465-V479 HydrophobicContact CG1-CG1 4.46Å; I465-V479 HydrophobicContact CG2-CG1 4.31Å; I465-V479 HydrophobicContact CG2-CG2 4.31Å; I465-V482 HydrophobicContact CD1-CG1 4.24Å; I465-V482 HydrophobicContact CG1-CB 4.22Å; I465-V482 HydrophobicContact CG1-CG1 3.71Å; I465-L483 HydrophobicContact CD1-CD2 4.14Å |
| 466 | E | 93.4 | Very high | 90 | Very high | 105 Ų | 105 | 59.5 Ų | 59.5 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.7 | -71.1 | -54 | 128.4 | 0 | 0 | 111.9 | P462 L463 R469 Y470 | P462-E466 WeakPolarHBondContact O-CG 3.45Å; P462-E466 PolarHBondContact O-N 3.13Å; L463-E466 PolarHBondContact O-N 3.35Å; E466-R469 PolarHBondContact O-N 3.47Å; E466-R469 IonicContact OE1-CZ 2.98Å; E466-R469 IonicContact OE1-NH1 3.58Å; E466-R469 PolarHBondContact OE1-NH1 3.06Å; E466-Y470 WeakPolarHBondContact O-CB 3.44Å; E466-Y470 PolarHBondContact O-N 3.11Å |
| 467 | V | 91.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | V424 I452 L463 A464 I465 R469 Y470 L471 | V424-V467 HydrophobicContact CG1-CG1 3.94Å; V424-V467 HydrophobicContact CG1-CG2 4.22Å; V424-V467 HydrophobicContact CG2-CG1 4.13Å; I452-V467 HydrophobicContact CD1-CB 4.09Å; I452-V467 HydrophobicContact CD1-CG1 3.84Å; L463-V467 HydrophobicContact CD1-CG2 4.11Å; L463-V467 HydrophobicContact CG-CG2 4.36Å; L463-V467 VanDerWaalsContact O-CG2 3.29Å; L463-V467 WeakPolarHBondContact O-CG2 3.48Å; L463-V467 PolarHBondContact O-N 3.5Å; A464-V467 PolarHBondContact O-N 3.33Å; I465-V467 VanDerWaalsContact C-N 3.35Å; I465-V467 PolarHBondContact O-N 3.44Å; V467-R469 PolarHBondContact O-N 3.41Å; V467-Y470 PolarHBondContact O-N 3.01Å; V467-L471 HydrophobicContact CG1-CD1 3.75Å; V467-L471 HydrophobicContact CG1-CG 4.36Å; V467-L471 WeakPolarHBondContact O-CB 3.43Å; V467-L471 WeakPolarHBondContact O-CG 3.45Å; V467-L471 PolarHBondContact O-N 3.49Å |
| 468 | C | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -46 | 176.8 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | I452 A464 I465 K472 I473 G478 V479 | I452-C468 VanDerWaalsContact CD1-SG 3.59Å; A464-C468 PolarHBondContact O-N 2.91Å; A464-C468 PolarHBondContact O-SG 3.39Å; I465-C468 PolarHBondContact O-N 3.01Å; C468-K472 PolarHBondContact O-N 3.2Å; C468-I473 PolarHBondContact O-N 2.99Å; C468-G478 VanDerWaalsContact SG-CA 3.53Å; C468-V479 HydrophobicContact CB-CG2 3.95Å |
| 469 | R | 91.3 | Very high | 89.2 | Confident | 146 Ų | 146 | 59.9 Ų | 59.9 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.2 | -46.1 | 177.8 | -72.7 | 173.1 | 178.4 | 157 | -2.2 | 111.6 | I465 E466 V467 L471 K472 V479 | I465-R469 HydrophobicContact CG2-CG 4.45Å; I465-R469 WeakPolarHBondContact O-CG 3.37Å; I465-R469 PolarHBondContact O-N 3.32Å; E466-R469 PolarHBondContact O-N 3.47Å; E466-R469 IonicContact OE1-CZ 2.98Å; E466-R469 IonicContact OE1-NH1 3.58Å; E466-R469 PolarHBondContact OE1-NH1 3.06Å; V467-R469 PolarHBondContact O-N 3.41Å; R469-L471 VanDerWaalsContact C-N 3.34Å; R469-L471 PolarHBondContact O-N 2.94Å; R469-K472 PolarHBondContact O-N 3.48Å; R469-K472 VanDerWaalsContact O-N 3.15Å; R469-V479 HydrophobicContact CG-CG2 4.24Å |
| 470 | Y | 91.6 | Very high | 89.1 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 30% | 0.302 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | -178.6 | 179.4 | -109.8 | 0 | 0 | 0 | 112.2 | R420 R423 V424 E466 V467 K472 | R420-Y470 HydrophobicContact CB-CE1 3.93Å; R420-Y470 HydrophobicContact CG-CE1 3.99Å; R423-Y470 HydrophobicContact CB-CE1 4.28Å; R423-Y470 HydrophobicContact CG-CE1 4.42Å; R423-Y470 PolarHBondContact NH1-OH 3.18Å; V424-Y470 HydrophobicContact CG2-CD1 4.13Å; V424-Y470 HydrophobicContact CG2-CE1 4.42Å; E466-Y470 WeakPolarHBondContact O-CB 3.44Å; E466-Y470 PolarHBondContact O-N 3.11Å; V467-Y470 PolarHBondContact O-N 3.01Å; Y470-K472 VanDerWaalsContact C-N 3.28Å; Y470-K472 PolarHBondContact O-N 2.84Å |
| 471 | L | 88.1 | Confident | 88.8 | Confident | 33 Ų | 33 | 58 Ų | 58 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.5 | 178.6 | -64 | 179.5 | 0 | 0 | 0 | 113.8 | R420 V424 L448 V467 R469 I473 | R420-L471 HydrophobicContact CB-CD2 4.25Å; V424-L471 HydrophobicContact CG2-CD1 4.2Å; V424-L471 HydrophobicContact CG2-CD2 4.15Å; V424-L471 HydrophobicContact CG2-CG 4.24Å; L448-L471 HydrophobicContact CD1-CD1 4.38Å; L448-L471 HydrophobicContact CD2-CD1 3.25Å; L448-L471 HydrophobicContact CG-CD1 4.41Å; V467-L471 HydrophobicContact CG1-CD1 3.75Å; V467-L471 HydrophobicContact CG1-CG 4.36Å; V467-L471 WeakPolarHBondContact O-CB 3.43Å; V467-L471 WeakPolarHBondContact O-CG 3.45Å; V467-L471 PolarHBondContact O-N 3.49Å; R469-L471 VanDerWaalsContact C-N 3.34Å; R469-L471 PolarHBondContact O-N 2.94Å; L471-I473 VanDerWaalsContact C-N 3.26Å; L471-I473 HydrophobicContact CB-CD1 4.44Å; L471-I473 HydrophobicContact CB-CG1 4.04Å; L471-I473 PolarHBondContact O-N 3.49Å |
| 472 | K | 88.5 | Confident | 88.7 | Confident | 172 Ų | 172 | 57.2 Ų | 57.2 | 75% | 0.748 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 40.7 | -177.8 | -53.8 | -176.1 | 178.2 | -172.8 | 0 | 112.6 | C468 R469 Y470 | C468-K472 PolarHBondContact O-N 3.2Å; R469-K472 PolarHBondContact O-N 3.48Å; R469-K472 VanDerWaalsContact O-N 3.15Å; Y470-K472 VanDerWaalsContact C-N 3.28Å; Y470-K472 PolarHBondContact O-N 2.84Å |
| 473 | I | 86.3 | Confident | 88.6 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | trans | -65.6 | 133.6 | 173.4 | -60.4 | 179.5 | 0 | 0 | 0 | 107.7 | L448 I452 C468 L471 D475 Q477 | L448-I473 HydrophobicContact CB-CD1 4.34Å; I452-I473 HydrophobicContact CG1-CD1 4.45Å; C468-I473 PolarHBondContact O-N 2.99Å; L471-I473 VanDerWaalsContact C-N 3.26Å; L471-I473 HydrophobicContact CB-CD1 4.44Å; L471-I473 HydrophobicContact CB-CG1 4.04Å; L471-I473 PolarHBondContact O-N 3.49Å; I473-D475 PolarHBondContact O-N 2.95Å; I473-Q477 HydrophobicContact CG2-CB 4.01Å | ||
| 474 | P | 86.4 | Confident | 88.3 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | trans | -52.2 | 135 | 176.5 | -27.1 | 34.9 | 0 | 0 | 0 | 111.8 | Y476 Q477 G478 | P474-Y476 HydrophobicContact CB-CD1 3.68Å; P474-Y476 HydrophobicContact CB-CE1 3.61Å; P474-Y476 HydrophobicContact CG-CE1 4.36Å; P474-Y476 PolarHBondContact O-N 2.99Å; P474-Q477 PolarHBondContact O-N 3.47Å; P474-G478 PolarHBondContact O-N 2.99Å | ||
| 475 | D | 82.8 | Confident | 88.1 | Confident | 88 Ų | 88 | 58.4 Ų | 58.4 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -39.8 | -170.4 | -69.6 | -24.3 | 0 | 0 | 0 | 113.2 | I473 Q477 G478 V479 S480 | I473-D475 PolarHBondContact O-N 2.95Å; D475-Q477 VanDerWaalsContact C-N 3.3Å; D475-Q477 PolarHBondContact O-N 3.27Å; D475-G478 CarbonylContact O-C 3.48Å; D475-G478 PolarHBondContact O-N 3.42Å; D475-V479 PolarHBondContact O-N 3.33Å; D475-S480 VanDerWaalsContact O-CB 3.23Å; D475-S480 WeakPolarHBondContact O-CB 3.47Å; D475-S480 PolarHBondContact O-N 3.1Å; D475-S480 PolarHBondContact O-OG 3.39Å |
| 476 | Y | 80.3 | Confident | 88.2 | Confident | 157 Ų | 157 | 59.3 Ų | 59.3 | 62% | 0.616 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33 | 179.2 | 83.4 | -89.8 | 0 | 0 | 0 | 114 | P474 | P474-Y476 HydrophobicContact CB-CD1 3.68Å; P474-Y476 HydrophobicContact CB-CE1 3.61Å; P474-Y476 HydrophobicContact CG-CE1 4.36Å; P474-Y476 PolarHBondContact O-N 2.99Å |
| 477 | Q | 80.1 | Confident | 88 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -25.7 | 176.6 | -58.9 | -169.2 | -6.5 | 0 | 0 | 112.7 | I473 P474 D475 | I473-Q477 HydrophobicContact CG2-CB 4.01Å; P474-Q477 PolarHBondContact O-N 3.47Å; D475-Q477 VanDerWaalsContact C-N 3.3Å; D475-Q477 PolarHBondContact O-N 3.27Å |
| 478 | G | 85.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -104.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C468 P474 D475 S480 R481 V482 | C468-G478 VanDerWaalsContact SG-CA 3.53Å; P474-G478 PolarHBondContact O-N 2.99Å; D475-G478 CarbonylContact O-C 3.48Å; D475-G478 PolarHBondContact O-N 3.42Å; G478-S480 VanDerWaalsContact C-N 3.35Å; G478-S480 PolarHBondContact O-N 3.13Å; G478-R481 WeakPolarHBondContact O-CB 3.46Å; G478-R481 PolarHBondContact O-N 3.34Å; G478-R481 VanDerWaalsContact O-N 3.12Å; G478-V482 WeakPolarHBondContact O-CG2 3.45Å; G478-V482 PolarHBondContact O-N 3.1Å; G478-V482 VanDerWaalsContact O-N 3.1Å |
| 479 | V | 88.1 | Confident | 87.8 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.1 | -43.5 | -168.3 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | I465 C468 R469 D475 R481 V482 L483 | I465-V479 HydrophobicContact CG1-CG1 4.46Å; I465-V479 HydrophobicContact CG2-CG1 4.31Å; I465-V479 HydrophobicContact CG2-CG2 4.31Å; C468-V479 HydrophobicContact CB-CG2 3.95Å; R469-V479 HydrophobicContact CG-CG2 4.24Å; D475-V479 PolarHBondContact O-N 3.33Å; V479-R481 VanDerWaalsContact C-N 3.31Å; V479-R481 PolarHBondContact O-N 2.87Å; V479-V482 PolarHBondContact O-N 2.7Å; V479-L483 HydrophobicContact CG1-CD1 3.93Å; V479-L483 HydrophobicContact CG1-CG 4.26Å; V479-L483 WeakPolarHBondContact O-CG 3.23Å; V479-L483 PolarHBondContact O-N 2.74Å |
| 480 | S | 87.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -36 | -178.2 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | D475 G478 K484 P513 V515 | D475-S480 VanDerWaalsContact O-CB 3.23Å; D475-S480 WeakPolarHBondContact O-CB 3.47Å; D475-S480 PolarHBondContact O-N 3.1Å; D475-S480 PolarHBondContact O-OG 3.39Å; G478-S480 VanDerWaalsContact C-N 3.35Å; G478-S480 PolarHBondContact O-N 3.13Å; S480-K484 WeakPolarHBondContact O-CB 3.28Å; S480-K484 PolarHBondContact O-N 3.36Å; S480-P513 WeakPolarHBondContact CB-O 3.48Å; S480-P513 PolarHBondContact OG-O 3.02Å; S480-V515 WeakPolarHBondContact O-CG2 3.23Å |
| 481 | R | 86.9 | Confident | 87.7 | Confident | 101 Ų | 101 | 47.9 Ų | 47.9 | 38% | 0.381 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.1 | -174 | 177.1 | 180 | -170.8 | -3.9 | 111.7 | D453 G478 V479 K484 H485 | D453-R481 IonicContact OD1-CZ 2.83Å; D453-R481 IonicContact OD1-NE 3.68Å; D453-R481 PolarHBondContact OD1-NE 3.31Å; D453-R481 IonicContact OD1-NH1 2.62Å; D453-R481 PolarHBondContact OD1-NH1 3.22Å; D453-R481 IonicContact OD1-NH2 2.6Å; D453-R481 PolarHBondContact OD1-NH2 2.96Å; D453-R481 IonicContact OD2-CZ 2.77Å; D453-R481 VanDerWaalsContact OD2-CZ 3.31Å; D453-R481 IonicContact OD2-NH1 2.98Å; D453-R481 PolarHBondContact OD2-NH1 2.74Å; D453-R481 IonicContact OD2-NH2 2.79Å; D453-R481 PolarHBondContact OD2-NH2 2.78Å; G478-R481 WeakPolarHBondContact O-CB 3.46Å; G478-R481 PolarHBondContact O-N 3.34Å; G478-R481 VanDerWaalsContact O-N 3.12Å; V479-R481 VanDerWaalsContact C-N 3.31Å; V479-R481 PolarHBondContact O-N 2.87Å; R481-K484 PolarHBondContact O-N 2.66Å; R481-H485 PolarHBondContact O-N 3.01Å |
| 482 | V | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | I452 V456 Y461 A464 I465 G478 V479 H485 W486 | I452-V482 HydrophobicContact CG2-CG2 3.74Å; V456-V482 HydrophobicContact CG2-CB 4.17Å; V456-V482 HydrophobicContact CG2-CG1 3.98Å; V456-V482 HydrophobicContact CG2-CG2 3.71Å; Y461-V482 HydrophobicContact CD1-CG1 3.95Å; A464-V482 HydrophobicContact CB-CG1 4.11Å; A464-V482 HydrophobicContact CB-CG2 4.07Å; I465-V482 HydrophobicContact CD1-CG1 4.24Å; I465-V482 HydrophobicContact CG1-CB 4.22Å; I465-V482 HydrophobicContact CG1-CG1 3.71Å; G478-V482 WeakPolarHBondContact O-CG2 3.45Å; G478-V482 PolarHBondContact O-N 3.1Å; G478-V482 VanDerWaalsContact O-N 3.1Å; V479-V482 PolarHBondContact O-N 2.7Å; V482-H485 PolarHBondContact O-N 3.02Å; V482-W486 WeakPolarHBondContact O-CB 3.43Å; V482-W486 PolarHBondContact O-N 2.95Å |
| 483 | L | 90.6 | Very high | 87.5 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 178 | -71.9 | 175.3 | 0 | 0 | 0 | 112.4 | I465 V479 H485 W486 A487 K508 V515 | I465-L483 HydrophobicContact CD1-CD2 4.14Å; V479-L483 HydrophobicContact CG1-CD1 3.93Å; V479-L483 HydrophobicContact CG1-CG 4.26Å; V479-L483 WeakPolarHBondContact O-CG 3.23Å; V479-L483 PolarHBondContact O-N 2.74Å; L483-H485 PolarHBondContact O-N 3.15Å; L483-W486 PolarHBondContact O-N 2.98Å; L483-A487 WeakPolarHBondContact O-CB 3.44Å; L483-A487 PolarHBondContact O-N 3.04Å; L483-K508 HydrophobicContact CD2-CG 4.17Å; L483-V515 HydrophobicContact CB-CG2 4.23Å |
| 484 | K | 88.1 | Confident | 87.3 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 175.2 | -176.1 | -178 | -175.4 | 173.6 | 0 | 111.7 | S480 R481 S488 V515 D519 | S480-K484 WeakPolarHBondContact O-CB 3.28Å; S480-K484 PolarHBondContact O-N 3.36Å; R481-K484 PolarHBondContact O-N 2.66Å; K484-S488 WeakPolarHBondContact O-CB 3.41Å; K484-S488 PolarHBondContact O-N 3.18Å; K484-S488 PolarHBondContact O-OG 2.93Å; K484-V515 HydrophobicContact CB-CG1 4.45Å; K484-D519 WeakPolarHBondContact CE-OD2 3.32Å; K484-D519 IonicContact NZ-OD2 3.09Å; K484-D519 PolarHBondContact NZ-OD2 3.4Å |
| 485 | H | 89.6 | Confident | 87.3 | Confident | 62 Ų | 62 | 58 Ų | 58 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 177.3 | -173.9 | -93.2 | 0 | 0 | 0 | 111.2 | V456 Y461 R481 V482 L483 A487 S488 C489 | V456-H485 HydrophobicContact CG1-CB 3.41Å; V456-H485 VanDerWaalsContact CG1-CB 3.41Å; V456-H485 WeakPolarHBondContact CG1-ND1 3.3Å; V456-H485 PolarHBondContact O-CE1 2.81Å; V456-H485 PolarHBondContact O-ND1 2.91Å; Y461-H485 AromaticContact CE1-ND1 3.58Å; Y461-H485 AromaticContact CZ-ND1 3.9Å; Y461-H485 PolarHBondContact OH-ND1 3.22Å; R481-H485 PolarHBondContact O-N 3.01Å; V482-H485 PolarHBondContact O-N 3.02Å; L483-H485 PolarHBondContact O-N 3.15Å; H485-A487 PolarHBondContact O-N 3.43Å; H485-S488 WeakPolarHBondContact O-CB 3.48Å; H485-S488 PolarHBondContact O-N 3.31Å; H485-C489 PolarHBondContact CE1-SG 3.17Å; H485-C489 PolarHBondContact O-N 3.32Å; H485-C489 PolarHBondContact O-SG 3.02Å |
| 486 | W | 92.8 | Very high | 87.5 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 13% | 0.125 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55 | -49.7 | 175.8 | 171 | 75.5 | 0 | 0 | 0 | 112.1 | Y461 V482 L483 S488 C489 K490 A504 V505 K508 V509 | Y461-W486 HydrophobicContact CD1-CB 3.61Å; Y461-W486 HydrophobicContact CD1-CG 4.34Å; Y461-W486 HydrophobicContact CD2-CB 4.4Å; Y461-W486 AromaticContact CD2-CD1 3.55Å; Y461-W486 HydrophobicContact CD2-CG 4.33Å; Y461-W486 VanDerWaalsContact CE1-CA 3.44Å; Y461-W486 HydrophobicContact CE1-CB 3.54Å; Y461-W486 HydrophobicContact CE1-CG 4.4Å; Y461-W486 HydrophobicContact CE2-CB 4.34Å; Y461-W486 AromaticContact CE2-CD1 3.62Å; Y461-W486 HydrophobicContact CE2-CG 4.39Å; Y461-W486 HydrophobicContact CG-CB 4.04Å; Y461-W486 AromaticContact CG-CD1 3.88Å; Y461-W486 HydrophobicContact CG-CG 4.28Å; V482-W486 WeakPolarHBondContact O-CB 3.43Å; V482-W486 PolarHBondContact O-N 2.95Å; L483-W486 PolarHBondContact O-N 2.98Å; W486-S488 VanDerWaalsContact C-N 3.33Å; W486-S488 PolarHBondContact O-N 3.24Å; W486-C489 PolarHBondContact O-N 2.94Å; W486-K490 HydrophobicContact CZ2-CD 4.31Å; W486-K490 HydrophobicContact CZ2-CG 4.37Å; W486-K490 WeakPolarHBondContact O-CB 3.48Å; W486-K490 PolarHBondContact O-N 3Å; W486-A504 WeakPolarHBondContact CH2-O 3.16Å; W486-V505 HydrophobicContact CH2-CG2 4.47Å; W486-V505 HydrophobicContact CZ3-CG2 4.36Å; W486-K508 HydrophobicContact CD2-CD 4.1Å; W486-K508 HydrophobicContact CE3-CD 4.08Å; W486-K508 HydrophobicContact CH2-CB 3.63Å; W486-K508 HydrophobicContact CH2-CD 3.59Å; W486-K508 HydrophobicContact CH2-CG 4.16Å; W486-K508 HydrophobicContact CZ2-CB 4.46Å; W486-K508 HydrophobicContact CZ2-CD 3.6Å; W486-K508 HydrophobicContact CZ3-CB 3.7Å; W486-K508 HydrophobicContact CZ3-CD 3.83Å; W486-K508 HydrophobicContact CZ3-CG 4.13Å; W486-V509 HydrophobicContact CE3-CG2 4.47Å; W486-V509 HydrophobicContact CZ3-CG2 4.17Å |
| 487 | A | 90.6 | Very high | 88 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L483 H485 C489 K490 V491 V505 V509 I520 | L483-A487 WeakPolarHBondContact O-CB 3.44Å; L483-A487 PolarHBondContact O-N 3.04Å; H485-A487 PolarHBondContact O-N 3.43Å; A487-C489 VanDerWaalsContact C-N 3.34Å; A487-C489 PolarHBondContact O-N 3.29Å; A487-K490 WeakPolarHBondContact O-CB 3.26Å; A487-K490 PolarHBondContact O-N 3.08Å; A487-K490 VanDerWaalsContact O-N 3.1Å; A487-V491 WeakPolarHBondContact O-CG1 3.26Å; A487-V491 PolarHBondContact O-N 2.95Å; A487-V505 HydrophobicContact CB-CG1 4.03Å; A487-V505 HydrophobicContact CB-CG2 4.31Å; A487-V509 HydrophobicContact CB-CG2 4.3Å; A487-I520 HydrophobicContact CB-CD1 3.53Å; A487-I520 HydrophobicContact CB-CG1 3.93Å; A487-I520 HydrophobicContact CB-CG2 3.83Å |
| 488 | S | 89.2 | Confident | 88.5 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 16% | 0.161 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | K484 H485 W486 V491 Q492 | K484-S488 WeakPolarHBondContact O-CB 3.41Å; K484-S488 PolarHBondContact O-N 3.18Å; K484-S488 PolarHBondContact O-OG 2.93Å; H485-S488 WeakPolarHBondContact O-CB 3.48Å; H485-S488 PolarHBondContact O-N 3.31Å; W486-S488 VanDerWaalsContact C-N 3.33Å; W486-S488 PolarHBondContact O-N 3.24Å; S488-V491 WeakPolarHBondContact O-CG2 3.12Å; S488-Q492 WeakPolarHBondContact O-CG 3.36Å; S488-Q492 PolarHBondContact O-NE2 3.12Å |
| 489 | C | 87.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.7 | -37.4 | 171.6 | -68.1 | 0 | 0 | 0 | 0 | 111.4 | Y461 H485 W486 A487 V491 Q492 | Y461-C489 WeakPolarHBondContact OH-CB 3.42Å; Y461-C489 PolarHBondContact OH-SG 3.42Å; Y461-C489 VanDerWaalsContact OH-SG 3.32Å; H485-C489 PolarHBondContact CE1-SG 3.17Å; H485-C489 PolarHBondContact O-N 3.32Å; H485-C489 PolarHBondContact O-SG 3.02Å; W486-C489 PolarHBondContact O-N 2.94Å; A487-C489 VanDerWaalsContact C-N 3.34Å; A487-C489 PolarHBondContact O-N 3.29Å; C489-V491 PolarHBondContact O-N 2.86Å; C489-Q492 WeakPolarHBondContact O-CB 3.45Å; C489-Q492 PolarHBondContact O-N 3.48Å |
| 490 | K | 89.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | -179.6 | -164.9 | 70.7 | -175.9 | 162.8 | 0 | 112.3 | W486 A487 Q492 Q493 L496 I501 V505 | W486-K490 HydrophobicContact CZ2-CD 4.31Å; W486-K490 HydrophobicContact CZ2-CG 4.37Å; W486-K490 WeakPolarHBondContact O-CB 3.48Å; W486-K490 PolarHBondContact O-N 3Å; A487-K490 WeakPolarHBondContact O-CB 3.26Å; A487-K490 PolarHBondContact O-N 3.08Å; A487-K490 VanDerWaalsContact O-N 3.1Å; K490-Q492 PolarHBondContact O-N 3.45Å; K490-Q493 WeakPolarHBondContact O-CB 3.34Å; K490-Q493 PolarHBondContact O-N 3.48Å; K490-L496 VanDerWaalsContact NZ-CD1 3.33Å; K490-I501 HydrophobicContact CG-CG2 4.23Å; K490-V505 HydrophobicContact CB-CG2 4.4Å; K490-V505 HydrophobicContact CG-CG2 4.3Å |
| 491 | V | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.7 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 114 | A487 S488 C489 I501 I520 K523 A524 L532 L536 | A487-V491 WeakPolarHBondContact O-CG1 3.26Å; A487-V491 PolarHBondContact O-N 2.95Å; S488-V491 WeakPolarHBondContact O-CG2 3.12Å; C489-V491 PolarHBondContact O-N 2.86Å; V491-I501 HydrophobicContact CG1-CG2 4.07Å; V491-I520 HydrophobicContact CG1-CG2 3.83Å; V491-K523 HydrophobicContact CG2-CB 4.22Å; V491-K523 HydrophobicContact CG2-CG 4.05Å; V491-A524 HydrophobicContact CB-CB 4.04Å; V491-A524 HydrophobicContact CG1-CB 4.19Å; V491-A524 HydrophobicContact CG2-CB 4.37Å; V491-L532 HydrophobicContact CB-CD2 4.06Å; V491-L532 HydrophobicContact CG1-CD2 4.02Å; V491-L536 HydrophobicContact CG1-CD1 3.74Å |
| 492 | Q | 87.4 | Confident | 89 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15.7 | 176.6 | -72.4 | 171.3 | 59.6 | 0 | 0 | 112.9 | S488 C489 K490 K494 C527 | S488-Q492 WeakPolarHBondContact O-CG 3.36Å; S488-Q492 PolarHBondContact O-NE2 3.12Å; C489-Q492 WeakPolarHBondContact O-CB 3.45Å; C489-Q492 PolarHBondContact O-N 3.48Å; K490-Q492 PolarHBondContact O-N 3.45Å; Q492-K494 PolarHBondContact O-N 3.06Å; Q492-C527 WeakPolarHBondContact CG-SG 3.44Å |
| 493 | Q | 85.3 | Confident | 88.9 | Confident | 75 Ų | 75 | 61 Ų | 61 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | trans | -66.6 | 123 | -176.6 | -66.1 | -170.2 | -33 | 0 | 0 | 111 | K490 R529 | K490-Q493 WeakPolarHBondContact O-CB 3.34Å; K490-Q493 PolarHBondContact O-N 3.48Å; Q493-R529 PolarHBondContact O-NH2 2.8Å | ||
| 494 | K | 82.6 | Confident | 88.8 | Confident | 179 Ų | 179 | 62.3 Ų | 62.3 | 78% | 0.778 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -80.1 | -26.6 | -176.5 | -69.1 | -174.9 | -179.7 | 178.1 | 0 | 113.7 | Q492 L496 R529 | Q492-K494 PolarHBondContact O-N 3.06Å; K494-L496 VanDerWaalsContact C-N 3.3Å; K494-L496 PolarHBondContact O-N 3.02Å; K494-R529 VanDerWaalsContact CA-NH2 3.33Å; K494-R529 PolarHBondContact O-NH2 3.21Å |
| 495 | D | 85.1 | Confident | 88.9 | Confident | 159 Ų | 159 | 58.5 Ų | 58.5 | 85% | 0.85 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -81.5 | -6.6 | -168.9 | -46.9 | -45.4 | 0 | 0 | 0 | 114.2 | ||
| 496 | L | 88.1 | Confident | 88.8 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -110.6 | 143.4 | -178.1 | -63.2 | 175.8 | 0 | 0 | 0 | 111.7 | K490 K494 I501 R529 | K490-L496 VanDerWaalsContact NZ-CD1 3.33Å; K494-L496 VanDerWaalsContact C-N 3.3Å; K494-L496 PolarHBondContact O-N 3.02Å; L496-I501 HydrophobicContact CB-CD1 3.99Å; L496-I501 HydrophobicContact CB-CG1 3.7Å; L496-I501 HydrophobicContact CD1-CG1 4.35Å; L496-R529 PolarHBondContact O-NH1 3.38Å |
| 497 | T | 90.3 | Very high | 88.6 | Confident | 86 Ų | 86 | 59.2 Ų | 59.2 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | trans | -66.7 | 147 | 171.8 | 57.7 | 0 | 0 | 0 | 0 | 111 | E499 A500 I501 | T497-E499 PolarHBondContact O-N 3.33Å; T497-A500 PolarHBondContact O-N 3.03Å; T497-A500 VanDerWaalsContact OG1-CB 3.3Å; T497-A500 WeakPolarHBondContact OG1-CB 3.45Å; T497-A500 PolarHBondContact OG1-N 3.23Å; T497-I501 PolarHBondContact O-N 2.83Å; T497-I501 VanDerWaalsContact O-N 3.11Å | ||
| 498 | D | 90 | Very high | 88.4 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 18% | 0.176 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.2 | -37.5 | 179.5 | -72.1 | -6.3 | 0 | 0 | 0 | 112.4 | A500 I501 A502 R529 L532 | D498-A500 PolarHBondContact O-N 3.37Å; D498-I501 PolarHBondContact O-N 3.27Å; D498-A502 WeakPolarHBondContact O-CB 3.44Å; D498-A502 PolarHBondContact O-N 3.38Å; D498-R529 IonicContact OD1-CZ 3.76Å; D498-R529 IonicContact OD1-NE 2.86Å; D498-R529 IonicContact OD1-NH1 3.96Å; D498-R529 PolarHBondContact OD1-NH1 3.07Å; D498-L532 HydrophobicContact CB-CB 3.94Å; D498-L532 HydrophobicContact CB-CD1 4.36Å; D498-L532 WeakPolarHBondContact O-CD1 3.46Å; D498-L532 PolarHBondContact OD2-N 3.37Å |
| 499 | E | 88.9 | Confident | 88.2 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 177.6 | -67.2 | 69.2 | -149 | 0 | 0 | 113.2 | T497 R503 K535 | T497-E499 PolarHBondContact O-N 3.33Å; E499-R503 WeakPolarHBondContact O-CB 3.38Å; E499-R503 WeakPolarHBondContact O-CG 3.27Å; E499-R503 PolarHBondContact O-N 2.94Å; E499-R503 VanDerWaalsContact O-N 3.12Å; E499-R503 PolarHBondContact O-NE 2.63Å; E499-K535 IonicContact OE1-NZ 2.94Å; E499-K535 PolarHBondContact OE1-NZ 3.31Å |
| 500 | A | 90.5 | Very high | 87.8 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -74.6 | -39.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T497 D498 A504 | T497-A500 PolarHBondContact O-N 3.03Å; T497-A500 VanDerWaalsContact OG1-CB 3.3Å; T497-A500 WeakPolarHBondContact OG1-CB 3.45Å; T497-A500 PolarHBondContact OG1-N 3.23Å; D498-A500 PolarHBondContact O-N 3.37Å; A500-A504 WeakPolarHBondContact O-CB 3.37Å; A500-A504 PolarHBondContact O-N 2.73Å |
| 501 | I | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -50.3 | 175 | -62.1 | 174.3 | 0 | 0 | 0 | 110.1 | K490 V491 L496 T497 D498 R503 A504 V505 L532 | K490-I501 HydrophobicContact CG-CG2 4.23Å; V491-I501 HydrophobicContact CG1-CG2 4.07Å; L496-I501 HydrophobicContact CB-CD1 3.99Å; L496-I501 HydrophobicContact CB-CG1 3.7Å; L496-I501 HydrophobicContact CD1-CG1 4.35Å; T497-I501 PolarHBondContact O-N 2.83Å; T497-I501 VanDerWaalsContact O-N 3.11Å; D498-I501 PolarHBondContact O-N 3.27Å; I501-R503 PolarHBondContact O-N 2.79Å; I501-A504 PolarHBondContact O-N 3.34Å; I501-V505 HydrophobicContact CG2-CG2 4.18Å; I501-V505 WeakPolarHBondContact O-CG2 3.3Å; I501-V505 PolarHBondContact O-N 3.23Å; I501-L532 HydrophobicContact CB-CD1 4.07Å; I501-L532 HydrophobicContact CB-CD2 4.26Å; I501-L532 HydrophobicContact CD1-CD2 4.17Å; I501-L532 HydrophobicContact CG2-CD1 3.99Å; I501-L532 HydrophobicContact CG2-CD2 3.86Å |
| 502 | A | 89.4 | Confident | 86.2 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.2 | -50.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D498 A504 V505 C506 L532 K535 L536 | D498-A502 WeakPolarHBondContact O-CB 3.44Å; D498-A502 PolarHBondContact O-N 3.38Å; A502-A504 VanDerWaalsContact C-N 3.34Å; A502-A504 PolarHBondContact O-N 3.39Å; A502-V505 PolarHBondContact O-N 3.12Å; A502-C506 WeakPolarHBondContact O-CB 3.46Å; A502-C506 PolarHBondContact O-N 2.77Å; A502-C506 PolarHBondContact O-SG 2.89Å; A502-L532 HydrophobicContact CB-CD1 3.94Å; A502-K535 HydrophobicContact CB-CB 4.35Å; A502-L536 HydrophobicContact CB-CD2 4.43Å |
| 503 | R | 89.2 | Confident | 85.3 | Confident | 180 Ų | 180 | 69.9 Ų | 69.9 | 68% | 0.679 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.6 | -43.6 | 177.3 | -78.1 | -174.8 | -69.7 | 161.6 | -4.9 | 112.9 | E499 I501 A507 | E499-R503 WeakPolarHBondContact O-CB 3.38Å; E499-R503 WeakPolarHBondContact O-CG 3.27Å; E499-R503 PolarHBondContact O-N 2.94Å; E499-R503 VanDerWaalsContact O-N 3.12Å; E499-R503 PolarHBondContact O-NE 2.63Å; I501-R503 PolarHBondContact O-N 2.79Å; R503-A507 WeakPolarHBondContact O-CB 3.45Å; R503-A507 PolarHBondContact O-N 3.16Å |
| 504 | A | 89.8 | Confident | 84.6 | Confident | 36 Ų | 36 | 69.6 Ų | 69.6 | 30% | 0.298 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | W486 A500 I501 A502 K508 | W486-A504 WeakPolarHBondContact CH2-O 3.16Å; A500-A504 WeakPolarHBondContact O-CB 3.37Å; A500-A504 PolarHBondContact O-N 2.73Å; I501-A504 PolarHBondContact O-N 3.34Å; A502-A504 VanDerWaalsContact C-N 3.34Å; A502-A504 PolarHBondContact O-N 3.39Å; A504-K508 WeakPolarHBondContact O-CB 3.35Å; A504-K508 PolarHBondContact O-N 3.5Å |
| 505 | V | 89.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 178 | 173.6 | 0 | 0 | 0 | 0 | 110 | W486 A487 K490 I501 A502 A507 K508 V509 Y517 I520 L536 | W486-V505 HydrophobicContact CH2-CG2 4.47Å; W486-V505 HydrophobicContact CZ3-CG2 4.36Å; A487-V505 HydrophobicContact CB-CG1 4.03Å; A487-V505 HydrophobicContact CB-CG2 4.31Å; K490-V505 HydrophobicContact CB-CG2 4.4Å; K490-V505 HydrophobicContact CG-CG2 4.3Å; I501-V505 HydrophobicContact CG2-CG2 4.18Å; I501-V505 WeakPolarHBondContact O-CG2 3.3Å; I501-V505 PolarHBondContact O-N 3.23Å; A502-V505 PolarHBondContact O-N 3.12Å; V505-A507 PolarHBondContact O-N 3.44Å; V505-K508 PolarHBondContact O-N 2.66Å; V505-V509 HydrophobicContact CG1-CG2 3.94Å; V505-V509 VanDerWaalsContact O-CB 3.28Å; V505-V509 WeakPolarHBondContact O-CB 3.46Å; V505-V509 WeakPolarHBondContact O-CG2 3.13Å; V505-V509 PolarHBondContact O-N 2.63Å; V505-Y517 HydrophobicContact CG1-CE1 4.18Å; V505-I520 HydrophobicContact CG1-CD1 4.39Å; V505-L536 HydrophobicContact CB-CD2 3.89Å; V505-L536 HydrophobicContact CG1-CD2 3.77Å; V505-L536 HydrophobicContact CG2-CD2 4.47Å |
| 506 | C | 87.2 | Confident | 84.4 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 14% | 0.142 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | -179.8 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | A502 K508 G510 F539 | A502-C506 WeakPolarHBondContact O-CB 3.46Å; A502-C506 PolarHBondContact O-N 2.77Å; A502-C506 PolarHBondContact O-SG 2.89Å; C506-K508 VanDerWaalsContact C-N 3.29Å; C506-K508 PolarHBondContact O-N 3.21Å; C506-G510 VanDerWaalsContact O-CA 3.24Å; C506-G510 WeakPolarHBondContact O-CA 3.44Å; C506-G510 PolarHBondContact O-N 3.01Å; C506-F539 HydrophobicContact CB-CD1 4.32Å; C506-F539 HydrophobicContact CB-CE1 4.07Å; C506-F539 HydrophobicContact CB-CE2 4.45Å; C506-F539 HydrophobicContact CB-CZ 4.15Å; C506-F539 WeakPolarHBondContact SG-CD2 3.4Å; C506-F539 WeakPolarHBondContact SG-CE2 3.15Å; C506-F539 VanDerWaalsContact SG-CG 3.58Å; C506-F539 WeakPolarHBondContact SG-CZ 3.23Å |
| 507 | A | 87.9 | Confident | 84.4 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 74% | 0.736 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.5 | -31.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | R503 V505 | R503-A507 WeakPolarHBondContact O-CB 3.45Å; R503-A507 PolarHBondContact O-N 3.16Å; V505-A507 PolarHBondContact O-N 3.44Å |
| 508 | K | 86.4 | Confident | 84.3 | Confident | 92 Ų | 92 | 48.4 Ų | 48.4 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -99.6 | -36.4 | -174.7 | -163.5 | 173.2 | -173.4 | 178.8 | 0 | 113.8 | L483 W486 A504 V505 C506 | L483-K508 HydrophobicContact CD2-CG 4.17Å; W486-K508 HydrophobicContact CD2-CD 4.1Å; W486-K508 HydrophobicContact CE3-CD 4.08Å; W486-K508 HydrophobicContact CH2-CB 3.63Å; W486-K508 HydrophobicContact CH2-CD 3.59Å; W486-K508 HydrophobicContact CH2-CG 4.16Å; W486-K508 HydrophobicContact CZ2-CB 4.46Å; W486-K508 HydrophobicContact CZ2-CD 3.6Å; W486-K508 HydrophobicContact CZ3-CB 3.7Å; W486-K508 HydrophobicContact CZ3-CD 3.83Å; W486-K508 HydrophobicContact CZ3-CG 4.13Å; A504-K508 WeakPolarHBondContact O-CB 3.35Å; A504-K508 PolarHBondContact O-N 3.5Å; V505-K508 PolarHBondContact O-N 2.66Å; C506-K508 VanDerWaalsContact C-N 3.29Å; C506-K508 PolarHBondContact O-N 3.21Å |
| 509 | V | 85.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77.2 | -43 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | W486 A487 V505 D511 S512 V515 Y517 | W486-V509 HydrophobicContact CE3-CG2 4.47Å; W486-V509 HydrophobicContact CZ3-CG2 4.17Å; A487-V509 HydrophobicContact CB-CG2 4.3Å; V505-V509 HydrophobicContact CG1-CG2 3.94Å; V505-V509 VanDerWaalsContact O-CB 3.28Å; V505-V509 WeakPolarHBondContact O-CB 3.46Å; V505-V509 WeakPolarHBondContact O-CG2 3.13Å; V505-V509 PolarHBondContact O-N 2.63Å; V509-D511 PolarHBondContact O-N 3.28Å; V509-S512 WeakPolarHBondContact O-CB 3.47Å; V509-S512 PolarHBondContact O-N 3.35Å; V509-S512 PolarHBondContact O-OG 2.93Å; V509-V515 HydrophobicContact CG1-CB 3.79Å; V509-V515 HydrophobicContact CG1-CG1 3.59Å; V509-V515 HydrophobicContact CG1-CG2 4.22Å; V509-Y517 HydrophobicContact CB-CE1 4.34Å; V509-Y517 WeakPolarHBondContact CB-OH 3.32Å; V509-Y517 HydrophobicContact CG1-CE1 4.25Å; V509-Y517 HydrophobicContact CG1-CE2 3.85Å; V509-Y517 WeakPolarHBondContact CG1-OH 3.35Å |
| 510 | G | 80.6 | Confident | 84.3 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -135.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C506 S512 Y517 | C506-G510 VanDerWaalsContact O-CA 3.24Å; C506-G510 WeakPolarHBondContact O-CA 3.44Å; C506-G510 PolarHBondContact O-N 3.01Å; G510-S512 VanDerWaalsContact C-N 3.3Å; G510-S512 PolarHBondContact O-N 2.94Å; G510-Y517 PolarHBondContact N-OH 3.49Å; G510-Y517 VanDerWaalsContact N-OH 3.16Å; G510-Y517 WeakPolarHBondContact O-CE2 3.25Å; G510-Y517 PolarHBondContact O-OH 3.15Å |
| 511 | D | 71.9 | Confident | 84.4 | Confident | 172 Ų | 172 | 44.1 Ų | 44.1 | 92% | 0.92 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 27.7 | 175 | -60.2 | -38 | 0 | 0 | 0 | 112.6 | V509 | V509-D511 PolarHBondContact O-N 3.28Š|
| 512 | S | 74.1 | Confident | 84.4 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | trans | -59.1 | 123.1 | -177.3 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | V509 G510 G514 V515 | V509-S512 WeakPolarHBondContact O-CB 3.47Å; V509-S512 PolarHBondContact O-N 3.35Å; V509-S512 PolarHBondContact O-OG 2.93Å; G510-S512 VanDerWaalsContact C-N 3.3Å; G510-S512 PolarHBondContact O-N 2.94Å; S512-G514 PolarHBondContact O-N 3.25Å; S512-V515 PolarHBondContact O-N 3.03Å | ||
| 513 | P | 67.8 | Low | 84.4 | Confident | 88 Ų | 88 | 48 Ų | 48 | 57% | 0.571 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 128.7 | -174.1 | 23.9 | -32.5 | 0 | 0 | 0 | 111.1 | S480 | S480-P513 WeakPolarHBondContact CB-O 3.48Å; S480-P513 PolarHBondContact OG-O 3.02Å |
| 514 | G | 71.3 | Confident | 84.5 | Confident | 69 Ų | 69 | 39.5 Ų | 39.5 | 71% | 0.711 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92 | 1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S512 | S512-G514 PolarHBondContact O-N 3.25Š|
| 515 | V | 80 | Confident | 84.6 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | trans | -91 | 119.5 | 167.7 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | S480 L483 K484 V509 S512 I520 | S480-V515 WeakPolarHBondContact O-CG2 3.23Å; L483-V515 HydrophobicContact CB-CG2 4.23Å; K484-V515 HydrophobicContact CB-CG1 4.45Å; V509-V515 HydrophobicContact CG1-CB 3.79Å; V509-V515 HydrophobicContact CG1-CG1 3.59Å; V509-V515 HydrophobicContact CG1-CG2 4.22Å; S512-V515 PolarHBondContact O-N 3.03Å; V515-I520 HydrophobicContact CG1-CD1 3.81Å | ||
| 516 | S | 84.6 | Confident | 84.7 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | trans | -86.8 | 114.1 | 173.8 | -149.5 | 0 | 0 | 0 | 0 | 109.3 | S518 D519 E540 R542 | S516-S518 PolarHBondContact O-N 3.45Å; S516-S518 PolarHBondContact OG-OG 2.74Å; S516-D519 WeakPolarHBondContact CB-OD2 3.39Å; S516-D519 PolarHBondContact O-N 3.28Å; S516-E540 WeakPolarHBondContact CA-OE2 3.45Å; S516-E540 PolarHBondContact OG-OE2 2.98Å; S516-R542 PolarHBondContact OG-NH2 3.07Å | ||
| 517 | Y | 88.3 | Confident | 84.6 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -27.9 | 170.2 | -79.6 | -90.4 | 0 | 0 | 0 | 111.1 | V505 V509 G510 D519 I520 A521 F539 E540 | V505-Y517 HydrophobicContact CG1-CE1 4.18Å; V509-Y517 HydrophobicContact CB-CE1 4.34Å; V509-Y517 WeakPolarHBondContact CB-OH 3.32Å; V509-Y517 HydrophobicContact CG1-CE1 4.25Å; V509-Y517 HydrophobicContact CG1-CE2 3.85Å; V509-Y517 WeakPolarHBondContact CG1-OH 3.35Å; G510-Y517 PolarHBondContact N-OH 3.49Å; G510-Y517 VanDerWaalsContact N-OH 3.16Å; G510-Y517 WeakPolarHBondContact O-CE2 3.25Å; G510-Y517 PolarHBondContact O-OH 3.15Å; Y517-D519 VanDerWaalsContact C-N 3.31Å; Y517-D519 PolarHBondContact O-N 2.81Å; Y517-I520 PolarHBondContact O-N 3.41Å; Y517-A521 VanDerWaalsContact O-CB 3.3Å; Y517-A521 WeakPolarHBondContact O-CB 3.42Å; Y517-A521 PolarHBondContact O-N 2.97Å; Y517-F539 HydrophobicContact CD1-CB 3.9Å; Y517-F539 HydrophobicContact CD2-CB 4.23Å; Y517-F539 HydrophobicContact CE1-CB 3.91Å; Y517-F539 HydrophobicContact CE2-CB 4.24Å; Y517-F539 HydrophobicContact CG-CB 4.07Å; Y517-E540 WeakPolarHBondContact CA-OE2 3.5Å; Y517-E540 PolarHBondContact N-OE2 3.06Å |
| 518 | S | 87.8 | Confident | 84.7 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.9 | -40.5 | 172.9 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | S516 A521 A522 E540 L549 | S516-S518 PolarHBondContact O-N 3.45Å; S516-S518 PolarHBondContact OG-OG 2.74Å; S518-A521 PolarHBondContact O-N 2.88Å; S518-A522 WeakPolarHBondContact O-CB 3.23Å; S518-A522 PolarHBondContact O-N 3.29Å; S518-E540 PolarHBondContact N-OE2 2.95Å; S518-L549 WeakPolarHBondContact O-CD2 3.49Å |
| 519 | D | 87.9 | Confident | 84.8 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 179.4 | -68.2 | -25.3 | 0 | 0 | 0 | 111.3 | K484 S516 Y517 A522 K523 | K484-D519 WeakPolarHBondContact CE-OD2 3.32Å; K484-D519 IonicContact NZ-OD2 3.09Å; K484-D519 PolarHBondContact NZ-OD2 3.4Å; S516-D519 WeakPolarHBondContact CB-OD2 3.39Å; S516-D519 PolarHBondContact O-N 3.28Å; Y517-D519 VanDerWaalsContact C-N 3.31Å; Y517-D519 PolarHBondContact O-N 2.81Å; D519-A522 PolarHBondContact O-N 3.18Å; D519-K523 PolarHBondContact O-N 3.18Å |
| 520 | I | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 178.2 | -55.1 | 166.7 | 0 | 0 | 0 | 109.7 | A487 V491 V505 V515 Y517 K523 A524 L536 | A487-I520 HydrophobicContact CB-CD1 3.53Å; A487-I520 HydrophobicContact CB-CG1 3.93Å; A487-I520 HydrophobicContact CB-CG2 3.83Å; V491-I520 HydrophobicContact CG1-CG2 3.83Å; V505-I520 HydrophobicContact CG1-CD1 4.39Å; V515-I520 HydrophobicContact CG1-CD1 3.81Å; Y517-I520 PolarHBondContact O-N 3.41Å; I520-K523 PolarHBondContact O-N 3.4Å; I520-A524 PolarHBondContact O-N 3.37Å; I520-L536 HydrophobicContact CG2-CD1 3.92Å |
| 521 | A | 91.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y517 S518 K523 A524 Y525 A533 L536 L537 L549 | Y517-A521 VanDerWaalsContact O-CB 3.3Å; Y517-A521 WeakPolarHBondContact O-CB 3.42Å; Y517-A521 PolarHBondContact O-N 2.97Å; S518-A521 PolarHBondContact O-N 2.88Å; A521-K523 VanDerWaalsContact C-N 3.27Å; A521-K523 PolarHBondContact O-N 3.06Å; A521-A524 PolarHBondContact O-N 2.95Å; A521-Y525 PolarHBondContact O-N 3Å; A521-A533 HydrophobicContact CB-CB 4.35Å; A521-A533 WeakPolarHBondContact CB-O 3.35Å; A521-A533 VanDerWaalsContact O-CB 3.25Å; A521-A533 WeakPolarHBondContact O-CB 3.36Å; A521-L536 HydrophobicContact CB-CB 4.19Å; A521-L537 HydrophobicContact CB-CB 4.18Å; A521-L537 HydrophobicContact CB-CD1 4.13Å; A521-L549 HydrophobicContact CB-CD2 3.65Å |
| 522 | A | 91.2 | Very high | 86.4 | Confident | 22 Ų | 22 | 42 Ų | 42 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | S518 D519 Y525 E526 L549 | S518-A522 WeakPolarHBondContact O-CB 3.23Å; S518-A522 PolarHBondContact O-N 3.29Å; D519-A522 PolarHBondContact O-N 3.18Å; A522-Y525 PolarHBondContact O-N 3.4Å; A522-E526 WeakPolarHBondContact O-CG 3.24Å; A522-E526 PolarHBondContact O-N 3.49Å; A522-L549 HydrophobicContact CB-CD1 3.92Å; A522-L549 HydrophobicContact CB-CD2 4.22Å |
| 523 | K | 89.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 40.3 Ų | 40.3 | 30% | 0.296 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 175.4 | -167.5 | 69.2 | -161.6 | 162.6 | 0 | 112.7 | V491 D519 I520 A521 Y525 E526 C527 | V491-K523 HydrophobicContact CG2-CB 4.22Å; V491-K523 HydrophobicContact CG2-CG 4.05Å; D519-K523 PolarHBondContact O-N 3.18Å; I520-K523 PolarHBondContact O-N 3.4Å; A521-K523 VanDerWaalsContact C-N 3.27Å; A521-K523 PolarHBondContact O-N 3.06Å; K523-Y525 VanDerWaalsContact C-N 3.29Å; K523-Y525 PolarHBondContact O-N 3.44Å; K523-E526 WeakPolarHBondContact CD-OE2 3.33Å; K523-E526 IonicContact NZ-OE2 3.15Å; K523-E526 PolarHBondContact NZ-OE2 3.23Å; K523-E526 PolarHBondContact O-N 3.33Å; K523-C527 PolarHBondContact O-N 3.38Å; K523-C527 PolarHBondContact O-SG 3.3Å |
| 524 | A | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V491 I520 A521 C527 G528 R529 L532 A533 L536 | V491-A524 HydrophobicContact CB-CB 4.04Å; V491-A524 HydrophobicContact CG1-CB 4.19Å; V491-A524 HydrophobicContact CG2-CB 4.37Å; I520-A524 PolarHBondContact O-N 3.37Å; A521-A524 PolarHBondContact O-N 2.95Å; A524-C527 PolarHBondContact O-N 3.43Å; A524-G528 PolarHBondContact O-N 3.12Å; A524-R529 WeakPolarHBondContact O-CB 3.37Å; A524-R529 PolarHBondContact O-N 3.41Å; A524-L532 HydrophobicContact CB-CB 4.46Å; A524-L532 HydrophobicContact CB-CD2 4.03Å; A524-L532 HydrophobicContact CB-CG 4.05Å; A524-A533 HydrophobicContact CB-CB 4.02Å; A524-L536 HydrophobicContact CB-CD1 4.29Å |
| 525 | Y | 91.9 | Very high | 89.2 | Confident | 78 Ų | 78 | 37 Ų | 37 | 31% | 0.306 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 176 | -178.8 | -113.6 | 0 | 0 | 0 | 112.6 | A521 A522 K523 C527 G528 P530 M553 | A521-Y525 PolarHBondContact O-N 3Å; A522-Y525 PolarHBondContact O-N 3.4Å; K523-Y525 VanDerWaalsContact C-N 3.29Å; K523-Y525 PolarHBondContact O-N 3.44Å; Y525-C527 PolarHBondContact O-N 3.22Å; Y525-G528 PolarHBondContact O-N 3.09Å; Y525-P530 HydrophobicContact CD2-CB 4.27Å; Y525-P530 HydrophobicContact CE2-CB 4.5Å; Y525-M553 HydrophobicContact CD1-CG 4.12Å; Y525-M553 HydrophobicContact CD2-CB 4.46Å; Y525-M553 HydrophobicContact CD2-CE 4.03Å; Y525-M553 HydrophobicContact CD2-CG 3.72Å; Y525-M553 HydrophobicContact CD2-SD 4.4Å; Y525-M553 HydrophobicContact CE1-CG 4.26Å; Y525-M553 HydrophobicContact CE2-CB 4.2Å; Y525-M553 HydrophobicContact CE2-CG 3.89Å; Y525-M553 HydrophobicContact CG-CG 3.83Å; Y525-M553 HydrophobicContact CG-SD 4.46Å |
| 526 | E | 90.1 | Very high | 89.6 | Confident | 121 Ų | 121 | 36.5 Ų | 36.5 | 57% | 0.565 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -58.2 | -32.1 | 173 | -73.6 | 174.4 | -171.7 | 0 | 0 | 112.7 | A522 K523 G528 | A522-E526 WeakPolarHBondContact O-CG 3.24Å; A522-E526 PolarHBondContact O-N 3.49Å; K523-E526 WeakPolarHBondContact CD-OE2 3.33Å; K523-E526 IonicContact NZ-OE2 3.15Å; K523-E526 PolarHBondContact NZ-OE2 3.23Å; K523-E526 PolarHBondContact O-N 3.33Å; E526-G528 PolarHBondContact O-N 3.05Å |
| 527 | C | 86.8 | Confident | 89.9 | Confident | 53 Ų | 53 | 36 Ų | 36 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 4.6 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | Q492 K523 A524 Y525 | Q492-C527 WeakPolarHBondContact CG-SG 3.44Å; K523-C527 PolarHBondContact O-N 3.38Å; K523-C527 PolarHBondContact O-SG 3.3Å; A524-C527 PolarHBondContact O-N 3.43Å; Y525-C527 PolarHBondContact O-N 3.22Å |
| 528 | G | 88.4 | Confident | 89.8 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 62% | 0.619 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 21.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | A524 Y525 E526 P530 | A524-G528 PolarHBondContact O-N 3.12Å; Y525-G528 PolarHBondContact O-N 3.09Å; E526-G528 PolarHBondContact O-N 3.05Å; G528-P530 VanDerWaalsContact C-CD 3.43Å; G528-P530 WeakPolarHBondContact O-CD 3.37Å |
| 529 | R | 89.1 | Confident | 89.7 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | trans | -111.4 | 75.6 | 178.6 | -62.1 | -174.7 | 172.4 | -123.4 | -2.3 | 111.9 | Q493 K494 L496 D498 A524 E531 L532 A533 | Q493-R529 PolarHBondContact O-NH2 2.8Å; K494-R529 VanDerWaalsContact CA-NH2 3.33Å; K494-R529 PolarHBondContact O-NH2 3.21Å; L496-R529 PolarHBondContact O-NH1 3.38Å; D498-R529 IonicContact OD1-CZ 3.76Å; D498-R529 IonicContact OD1-NE 2.86Å; D498-R529 IonicContact OD1-NH1 3.96Å; D498-R529 PolarHBondContact OD1-NH1 3.07Å; A524-R529 WeakPolarHBondContact O-CB 3.37Å; A524-R529 PolarHBondContact O-N 3.41Å; R529-E531 PolarHBondContact O-N 3.48Å; R529-L532 HydrophobicContact CB-CB 3.89Å; R529-L532 HydrophobicContact CB-CD2 4.26Å; R529-A533 WeakPolarHBondContact O-CB 3.3Å; R529-A533 PolarHBondContact O-N 2.73Å; R529-A533 VanDerWaalsContact O-N 3.1Å | ||
| 530 | P | 89.8 | Confident | 89.6 | Confident | 50 Ų | 50 | 41.8 Ų | 41.8 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.8 | -36.1 | -176.1 | 26.9 | -34.6 | 0 | 0 | 0 | 113.2 | Y525 G528 A533 I534 M553 | Y525-P530 HydrophobicContact CD2-CB 4.27Å; Y525-P530 HydrophobicContact CE2-CB 4.5Å; G528-P530 VanDerWaalsContact C-CD 3.43Å; G528-P530 WeakPolarHBondContact O-CD 3.37Å; P530-A533 PolarHBondContact O-N 3.24Å; P530-I534 WeakPolarHBondContact O-CG1 3.44Å; P530-I534 PolarHBondContact O-N 3.13Å; P530-M553 HydrophobicContact CB-CE 4.32Å; P530-M553 VanDerWaalsContact O-CE 3.3Å; P530-M553 WeakPolarHBondContact O-CE 3.41Å |
| 531 | E | 89.9 | Confident | 89.2 | Confident | 89 Ų | 89 | 46.5 Ų | 46.5 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.2 | -42.1 | -179.6 | -63.2 | -54.2 | 128 | 0 | 0 | 112 | R529 A533 I534 K535 R555 | R529-E531 PolarHBondContact O-N 3.48Å; E531-A533 VanDerWaalsContact C-N 3.31Å; E531-A533 PolarHBondContact O-N 2.79Å; E531-I534 PolarHBondContact O-N 2.71Å; E531-K535 WeakPolarHBondContact O-CG 3.4Å; E531-K535 PolarHBondContact O-N 3.25Å; E531-R555 IonicContact OE1-CZ 3.29Å; E531-R555 IonicContact OE1-NH2 2.97Å; E531-R555 PolarHBondContact OE1-NH2 3.26Å |
| 532 | L | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 169.6 | 179.3 | 57.9 | 0 | 0 | 0 | 112 | V491 D498 I501 A502 A524 R529 I534 K535 L536 | V491-L532 HydrophobicContact CB-CD2 4.06Å; V491-L532 HydrophobicContact CG1-CD2 4.02Å; D498-L532 HydrophobicContact CB-CB 3.94Å; D498-L532 HydrophobicContact CB-CD1 4.36Å; D498-L532 WeakPolarHBondContact O-CD1 3.46Å; D498-L532 PolarHBondContact OD2-N 3.37Å; I501-L532 HydrophobicContact CB-CD1 4.07Å; I501-L532 HydrophobicContact CB-CD2 4.26Å; I501-L532 HydrophobicContact CD1-CD2 4.17Å; I501-L532 HydrophobicContact CG2-CD1 3.99Å; I501-L532 HydrophobicContact CG2-CD2 3.86Å; A502-L532 HydrophobicContact CB-CD1 3.94Å; A524-L532 HydrophobicContact CB-CB 4.46Å; A524-L532 HydrophobicContact CB-CD2 4.03Å; A524-L532 HydrophobicContact CB-CG 4.05Å; R529-L532 HydrophobicContact CB-CB 3.89Å; R529-L532 HydrophobicContact CB-CD2 4.26Å; L532-I534 PolarHBondContact O-N 2.77Å; L532-K535 PolarHBondContact O-N 3.49Å; L532-L536 HydrophobicContact CD1-CD1 3.94Å; L532-L536 HydrophobicContact CD1-CG 3.99Å; L532-L536 HydrophobicContact CG-CD1 3.87Å; L532-L536 HydrophobicContact CG-CG 4.35Å; L532-L536 WeakPolarHBondContact O-CB 3.47Å; L532-L536 WeakPolarHBondContact O-CG 3.48Å; L532-L536 PolarHBondContact O-N 3.07Å |
| 533 | A | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A521 A524 R529 P530 E531 L536 L537 M553 | A521-A533 HydrophobicContact CB-CB 4.35Å; A521-A533 WeakPolarHBondContact CB-O 3.35Å; A521-A533 VanDerWaalsContact O-CB 3.25Å; A521-A533 WeakPolarHBondContact O-CB 3.36Å; A524-A533 HydrophobicContact CB-CB 4.02Å; R529-A533 WeakPolarHBondContact O-CB 3.3Å; R529-A533 PolarHBondContact O-N 2.73Å; R529-A533 VanDerWaalsContact O-N 3.1Å; P530-A533 PolarHBondContact O-N 3.24Å; E531-A533 VanDerWaalsContact C-N 3.31Å; E531-A533 PolarHBondContact O-N 2.79Å; A533-L536 PolarHBondContact O-N 3.43Å; A533-L537 VanDerWaalsContact O-CB 3.27Å; A533-L537 WeakPolarHBondContact O-CB 3.42Å; A533-L537 PolarHBondContact O-N 3.22Å; A533-M553 HydrophobicContact CB-CE 3.54Å; A533-M553 HydrophobicContact CB-SD 4.03Å |
| 534 | I | 90.1 | Very high | 88.4 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 175.1 | -64.8 | 166.1 | 0 | 0 | 0 | 110.5 | P530 E531 L532 L536 L537 D538 M553 R555 L558 | P530-I534 WeakPolarHBondContact O-CG1 3.44Å; P530-I534 PolarHBondContact O-N 3.13Å; E531-I534 PolarHBondContact O-N 2.71Å; L532-I534 PolarHBondContact O-N 2.77Å; I534-L536 VanDerWaalsContact C-N 3.32Å; I534-L536 PolarHBondContact O-N 2.93Å; I534-L537 WeakPolarHBondContact O-CB 3.33Å; I534-L537 PolarHBondContact O-N 2.93Å; I534-D538 PolarHBondContact O-N 3.16Å; I534-D538 VanDerWaalsContact O-N 3.12Å; I534-M553 HydrophobicContact CD1-CE 4.39Å; I534-M553 HydrophobicContact CG1-CE 3.68Å; I534-R555 HydrophobicContact CD1-CG 3.99Å; I534-L558 HydrophobicContact CG2-CD2 3.77Å |
| 535 | K | 90 | Very high | 88.1 | Confident | 69 Ų | 69 | 55.8 Ų | 55.8 | 30% | 0.3 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | -179.3 | -72 | -179.8 | -176.3 | -171 | 0 | 112.7 | E499 A502 E531 L532 L537 F539 | E499-K535 IonicContact OE1-NZ 2.94Å; E499-K535 PolarHBondContact OE1-NZ 3.31Å; A502-K535 HydrophobicContact CB-CB 4.35Å; E531-K535 WeakPolarHBondContact O-CG 3.4Å; E531-K535 PolarHBondContact O-N 3.25Å; L532-K535 PolarHBondContact O-N 3.49Å; K535-L537 VanDerWaalsContact C-N 3.32Å; K535-F539 WeakPolarHBondContact O-CD2 3.45Å; K535-F539 WeakPolarHBondContact O-CE2 3.04Å |
| 536 | L | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.5 | -35 | 176.7 | -71.8 | 172.6 | 0 | 0 | 0 | 111.8 | V491 A502 V505 I520 A521 A524 L532 A533 I534 D538 F539 | V491-L536 HydrophobicContact CG1-CD1 3.74Å; A502-L536 HydrophobicContact CB-CD2 4.43Å; V505-L536 HydrophobicContact CB-CD2 3.89Å; V505-L536 HydrophobicContact CG1-CD2 3.77Å; V505-L536 HydrophobicContact CG2-CD2 4.47Å; I520-L536 HydrophobicContact CG2-CD1 3.92Å; A521-L536 HydrophobicContact CB-CB 4.19Å; A524-L536 HydrophobicContact CB-CD1 4.29Å; L532-L536 HydrophobicContact CD1-CD1 3.94Å; L532-L536 HydrophobicContact CD1-CG 3.99Å; L532-L536 HydrophobicContact CG-CD1 3.87Å; L532-L536 HydrophobicContact CG-CG 4.35Å; L532-L536 WeakPolarHBondContact O-CB 3.47Å; L532-L536 WeakPolarHBondContact O-CG 3.48Å; L532-L536 PolarHBondContact O-N 3.07Å; A533-L536 PolarHBondContact O-N 3.43Å; I534-L536 VanDerWaalsContact C-N 3.32Å; I534-L536 PolarHBondContact O-N 2.93Å; L536-D538 VanDerWaalsContact C-N 3.31Å; L536-D538 PolarHBondContact O-N 3.03Å; L536-F539 PolarHBondContact O-N 2.98Å |
| 537 | L | 89.8 | Confident | 88 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.9 | -24.9 | -178.4 | -161.5 | 62.9 | 0 | 0 | 0 | 113.1 | A521 A533 I534 K535 F539 E540 Q546 L549 L550 | A521-L537 HydrophobicContact CB-CB 4.18Å; A521-L537 HydrophobicContact CB-CD1 4.13Å; A533-L537 VanDerWaalsContact O-CB 3.27Å; A533-L537 WeakPolarHBondContact O-CB 3.42Å; A533-L537 PolarHBondContact O-N 3.22Å; I534-L537 WeakPolarHBondContact O-CB 3.33Å; I534-L537 PolarHBondContact O-N 2.93Å; K535-L537 VanDerWaalsContact C-N 3.32Å; L537-F539 PolarHBondContact O-N 3.03Å; L537-E540 HydrophobicContact CD1-CB 4.18Å; L537-E540 WeakPolarHBondContact O-CB 3.43Å; L537-E540 PolarHBondContact O-N 3.4Å; L537-Q546 HydrophobicContact CD1-CB 4.31Å; L537-Q546 HydrophobicContact CD2-CB 4.38Å; L537-Q546 HydrophobicContact CD2-CG 3.91Å; L537-Q546 HydrophobicContact CG-CB 4.08Å; L537-Q546 HydrophobicContact CG-CG 3.82Å; L537-Q546 PolarHBondContact O-NE2 3.45Å; L537-L549 HydrophobicContact CD1-CD2 3.83Å; L537-L549 HydrophobicContact CD2-CB 4.2Å; L537-L549 HydrophobicContact CD2-CD2 4.08Å; L537-L549 HydrophobicContact CD2-CG 4.31Å; L537-L550 HydrophobicContact CD2-CD1 4.4Å; L537-L550 HydrophobicContact CD2-CD2 3.73Å; L537-L550 HydrophobicContact CD2-CG 3.62Å |
| 538 | D | 86.9 | Confident | 88.2 | Confident | 86 Ų | 86 | 47.4 Ų | 47.4 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.9 | 172 | -73.4 | -31.6 | 0 | 0 | 0 | 113 | I534 L536 | I534-D538 PolarHBondContact O-N 3.16Å; I534-D538 VanDerWaalsContact O-N 3.12Å; L536-D538 VanDerWaalsContact C-N 3.31Å; L536-D538 PolarHBondContact O-N 3.03Å |
| 539 | F | 85.6 | Confident | 88.3 | Confident | 109 Ų | 109 | 45.3 Ų | 45.3 | 48% | 0.478 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -4.3 | 174.7 | -61.3 | -87.9 | 0 | 0 | 0 | 113.3 | C506 Y517 K535 L536 L537 A541 | C506-F539 HydrophobicContact CB-CD1 4.32Å; C506-F539 HydrophobicContact CB-CE1 4.07Å; C506-F539 HydrophobicContact CB-CE2 4.45Å; C506-F539 HydrophobicContact CB-CZ 4.15Å; C506-F539 WeakPolarHBondContact SG-CD2 3.4Å; C506-F539 WeakPolarHBondContact SG-CE2 3.15Å; C506-F539 VanDerWaalsContact SG-CG 3.58Å; C506-F539 WeakPolarHBondContact SG-CZ 3.23Å; Y517-F539 HydrophobicContact CD1-CB 3.9Å; Y517-F539 HydrophobicContact CD2-CB 4.23Å; Y517-F539 HydrophobicContact CE1-CB 3.91Å; Y517-F539 HydrophobicContact CE2-CB 4.24Å; Y517-F539 HydrophobicContact CG-CB 4.07Å; K535-F539 WeakPolarHBondContact O-CD2 3.45Å; K535-F539 WeakPolarHBondContact O-CE2 3.04Å; L536-F539 PolarHBondContact O-N 2.98Å; L537-F539 PolarHBondContact O-N 3.03Å; F539-A541 PolarHBondContact O-N 3.37Å |
| 540 | E | 85.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | trans | -76.6 | 111.7 | 174.2 | -178 | 64.1 | -126.8 | 0 | 0 | 110.1 | S516 Y517 S518 L537 R542 Q545 | S516-E540 WeakPolarHBondContact CA-OE2 3.45Å; S516-E540 PolarHBondContact OG-OE2 2.98Å; Y517-E540 WeakPolarHBondContact CA-OE2 3.5Å; Y517-E540 PolarHBondContact N-OE2 3.06Å; S518-E540 PolarHBondContact N-OE2 2.95Å; L537-E540 HydrophobicContact CD1-CB 4.18Å; L537-E540 WeakPolarHBondContact O-CB 3.43Å; L537-E540 PolarHBondContact O-N 3.4Å; E540-R542 HydrophobicContact CG-CB 4.43Å; E540-R542 PolarHBondContact O-N 3.43Å; E540-R542 IonicContact OE1-CZ 2.87Å; E540-R542 VanDerWaalsContact OE1-CZ 3.29Å; E540-R542 IonicContact OE1-NE 2.91Å; E540-R542 PolarHBondContact OE1-NE 3.48Å; E540-R542 IonicContact OE1-NH2 2.6Å; E540-R542 PolarHBondContact OE1-NH2 3.19Å; E540-R542 IonicContact OE2-NH2 3.45Å; E540-Q545 HydrophobicContact CG-CB 4.2Å | ||
| 541 | A | 82.4 | Confident | 88.4 | Confident | 98 Ų | 98 | 41.8 Ų | 41.8 | 81% | 0.81 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -65.7 | -23.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F539 | F539-A541 PolarHBondContact O-N 3.37Š|
| 542 | R | 85.4 | Confident | 88.4 | Confident | 124 Ų | 124 | 43.7 Ų | 43.7 | 47% | 0.468 | 24% | 0.235 | S | C | . | . | trans | -93.2 | 101.5 | -177.2 | -67.2 | 169.9 | -65.5 | 171.7 | 4.3 | 110.9 | S516 E540 G544 Q545 Q546 | S516-R542 PolarHBondContact OG-NH2 3.07Å; E540-R542 HydrophobicContact CG-CB 4.43Å; E540-R542 PolarHBondContact O-N 3.43Å; E540-R542 IonicContact OE1-CZ 2.87Å; E540-R542 VanDerWaalsContact OE1-CZ 3.29Å; E540-R542 IonicContact OE1-NE 2.91Å; E540-R542 PolarHBondContact OE1-NE 3.48Å; E540-R542 IonicContact OE1-NH2 2.6Å; E540-R542 PolarHBondContact OE1-NH2 3.19Å; E540-R542 IonicContact OE2-NH2 3.45Å; R542-G544 PolarHBondContact O-N 3.04Å; R542-G544 VanDerWaalsContact O-N 3.16Å; R542-Q545 HydrophobicContact CB-CB 4.38Å; R542-Q545 HydrophobicContact CB-CG 4.25Å; R542-Q545 PolarHBondContact O-N 3.29Å; R542-Q546 PolarHBondContact O-N 2.82Å | ||
| 543 | S | 84 | Confident | 88.2 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.5 | -33.4 | 178.8 | -45.9 | 0 | 0 | 0 | 0 | 113.3 | Q545 Q546 V547 S566 | S543-Q545 PolarHBondContact O-N 3.28Å; S543-Q546 PolarHBondContact O-N 3.17Å; S543-Q546 VanDerWaalsContact O-N 3.17Å; S543-V547 WeakPolarHBondContact O-CG2 3.41Å; S543-V547 PolarHBondContact O-N 3.2Å; S543-S566 WeakPolarHBondContact OG-CB 3.31Å |
| 544 | G | 85.4 | Confident | 88 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.4 | -16.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | R542 P548 | R542-G544 PolarHBondContact O-N 3.04Å; R542-G544 VanDerWaalsContact O-N 3.16Å; G544-P548 WeakPolarHBondContact O-CD 3.38Å; G544-P548 VanDerWaalsContact O-CG 3.24Å; G544-P548 WeakPolarHBondContact O-CG 3.46Å |
| 545 | Q | 86.4 | Confident | 88 | Confident | 89 Ų | 89 | 56.1 Ų | 56.1 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -97.6 | -30.5 | 171.8 | -67 | -66.7 | -20.6 | 0 | 0 | 112 | E540 R542 S543 | E540-Q545 HydrophobicContact CG-CB 4.2Å; R542-Q545 HydrophobicContact CB-CB 4.38Å; R542-Q545 HydrophobicContact CB-CG 4.25Å; R542-Q545 PolarHBondContact O-N 3.29Å; S543-Q545 PolarHBondContact O-N 3.28Å |
| 546 | Q | 89.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.8 | -52.1 | 176.4 | 169.6 | 172 | 53.2 | 0 | 0 | 112 | L537 R542 S543 L549 L550 K562 | L537-Q546 HydrophobicContact CD1-CB 4.31Å; L537-Q546 HydrophobicContact CD2-CB 4.38Å; L537-Q546 HydrophobicContact CD2-CG 3.91Å; L537-Q546 HydrophobicContact CG-CB 4.08Å; L537-Q546 HydrophobicContact CG-CG 3.82Å; L537-Q546 PolarHBondContact O-NE2 3.45Å; R542-Q546 PolarHBondContact O-N 2.82Å; S543-Q546 PolarHBondContact O-N 3.17Å; S543-Q546 VanDerWaalsContact O-N 3.17Å; Q546-L549 PolarHBondContact O-N 3.32Å; Q546-L550 HydrophobicContact CG-CD1 3.73Å; Q546-L550 HydrophobicContact CG-CG 4.33Å; Q546-L550 WeakPolarHBondContact O-CG 3.48Å; Q546-L550 PolarHBondContact O-N 2.7Å; Q546-K562 HydrophobicContact CG-CB 4.46Å; Q546-K562 HydrophobicContact CG-CG 4.42Å |
| 547 | V | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | -171.2 | 169.8 | 0 | 0 | 0 | 0 | 112.9 | S543 L549 L550 L551 A559 K562 A563 L571 V575 | S543-V547 WeakPolarHBondContact O-CG2 3.41Å; S543-V547 PolarHBondContact O-N 3.2Å; V547-L549 VanDerWaalsContact C-N 3.28Å; V547-L549 PolarHBondContact O-N 2.74Å; V547-L550 PolarHBondContact O-N 2.73Å; V547-L551 HydrophobicContact CG1-CD1 4.42Å; V547-L551 WeakPolarHBondContact O-CG 3.41Å; V547-L551 PolarHBondContact O-N 3.3Å; V547-A559 HydrophobicContact CG1-CB 4.46Å; V547-K562 HydrophobicContact CG2-CB 4.17Å; V547-A563 HydrophobicContact CG1-CB 4.45Å; V547-A563 HydrophobicContact CG2-CB 4.04Å; V547-L571 HydrophobicContact CB-CD1 3.98Å; V547-L571 HydrophobicContact CB-CD2 3.97Å; V547-L571 HydrophobicContact CB-CG 4.03Å; V547-L571 HydrophobicContact CG1-CD1 4Å; V547-L571 HydrophobicContact CG1-CG 4.05Å; V547-L571 HydrophobicContact CG2-CD2 3.63Å; V547-L571 HydrophobicContact CG2-CG 4.05Å; V547-V575 HydrophobicContact CG1-CG2 3.2Å |
| 548 | P | 90.9 | Very high | 87.8 | Confident | 66 Ų | 66 | 63.1 Ų | 63.1 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 177.9 | -26.1 | 36.2 | 0 | 0 | 0 | 113.6 | G544 L551 K552 | G544-P548 WeakPolarHBondContact O-CD 3.38Å; G544-P548 VanDerWaalsContact O-CG 3.24Å; G544-P548 WeakPolarHBondContact O-CG 3.46Å; P548-L551 PolarHBondContact O-N 3.26Å; P548-K552 PolarHBondContact O-N 3.32Å |
| 549 | L | 89.9 | Confident | 88 | Confident | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 177.5 | -175.4 | 61.1 | 0 | 0 | 0 | 111.6 | S518 A521 A522 L537 Q546 V547 L551 K552 M553 | S518-L549 WeakPolarHBondContact O-CD2 3.49Å; A521-L549 HydrophobicContact CB-CD2 3.65Å; A522-L549 HydrophobicContact CB-CD1 3.92Å; A522-L549 HydrophobicContact CB-CD2 4.22Å; L537-L549 HydrophobicContact CD1-CD2 3.83Å; L537-L549 HydrophobicContact CD2-CB 4.2Å; L537-L549 HydrophobicContact CD2-CD2 4.08Å; L537-L549 HydrophobicContact CD2-CG 4.31Å; Q546-L549 PolarHBondContact O-N 3.32Å; V547-L549 VanDerWaalsContact C-N 3.28Å; V547-L549 PolarHBondContact O-N 2.74Å; L549-L551 VanDerWaalsContact C-N 3.29Å; L549-L551 PolarHBondContact O-N 2.82Å; L549-K552 HydrophobicContact CD1-CD 4.4Å; L549-K552 WeakPolarHBondContact O-CB 3.33Å; L549-K552 PolarHBondContact O-N 3.05Å; L549-K552 VanDerWaalsContact O-N 3.16Å; L549-M553 HydrophobicContact CG-SD 4.08Å; L549-M553 VanDerWaalsContact O-CG 3.26Å; L549-M553 WeakPolarHBondContact O-CG 3.39Å; L549-M553 PolarHBondContact O-N 2.89Å |
| 550 | L | 91.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 174.2 | -71.3 | 172.9 | 0 | 0 | 0 | 112.2 | L537 Q546 V547 M553 K554 R555 L558 A559 K562 | L537-L550 HydrophobicContact CD2-CD1 4.4Å; L537-L550 HydrophobicContact CD2-CD2 3.73Å; L537-L550 HydrophobicContact CD2-CG 3.62Å; Q546-L550 HydrophobicContact CG-CD1 3.73Å; Q546-L550 HydrophobicContact CG-CG 4.33Å; Q546-L550 WeakPolarHBondContact O-CG 3.48Å; Q546-L550 PolarHBondContact O-N 2.7Å; V547-L550 PolarHBondContact O-N 2.73Å; L550-M553 CarbonylContact O-C 3.05Å; L550-M553 PolarHBondContact O-N 3.38Å; L550-K554 PolarHBondContact O-N 3.37Å; L550-R555 HydrophobicContact CD2-CB 4.27Å; L550-R555 PolarHBondContact O-N 3.44Å; L550-L558 HydrophobicContact CD1-CD2 4.46Å; L550-L558 HydrophobicContact CD1-CG 4.1Å; L550-L558 HydrophobicContact CD2-CD2 3.81Å; L550-L558 HydrophobicContact CD2-CG 4.29Å; L550-A559 HydrophobicContact CB-CB 3.73Å; L550-A559 HydrophobicContact CD1-CB 4.43Å; L550-K562 HydrophobicContact CD1-CB 4.27Å; L550-K562 HydrophobicContact CD1-CG 4Å |
| 551 | L | 89.8 | Confident | 88.5 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 173.4 | -64.7 | -179.8 | 0 | 0 | 0 | 111.4 | V547 P548 L549 M553 K554 A559 V575 Y578 | V547-L551 HydrophobicContact CG1-CD1 4.42Å; V547-L551 WeakPolarHBondContact O-CG 3.41Å; V547-L551 PolarHBondContact O-N 3.3Å; P548-L551 PolarHBondContact O-N 3.26Å; L549-L551 VanDerWaalsContact C-N 3.29Å; L549-L551 PolarHBondContact O-N 2.82Å; L551-M553 PolarHBondContact O-N 2.84Å; L551-K554 PolarHBondContact O-N 3.44Å; L551-A559 HydrophobicContact CD2-CB 3.49Å; L551-A559 VanDerWaalsContact CD2-CB 3.49Å; L551-A559 HydrophobicContact CG-CB 4Å; L551-V575 HydrophobicContact CD1-CG2 4.25Å; L551-V575 HydrophobicContact CD2-CG1 4.19Å; L551-V575 HydrophobicContact CD2-CG2 4.48Å; L551-Y578 HydrophobicContact CB-CD1 4.43Å; L551-Y578 HydrophobicContact CB-CE1 4.21Å; L551-Y578 HydrophobicContact CD1-CD1 4.2Å; L551-Y578 HydrophobicContact CD1-CG 4.12Å; L551-Y578 HydrophobicContact CD2-CD1 3.66Å; L551-Y578 HydrophobicContact CD2-CE1 3.97Å; L551-Y578 HydrophobicContact CD2-CG 4.39Å; L551-Y578 HydrophobicContact CG-CD1 4.31Å |
| 552 | K | 89.1 | Confident | 88.8 | Confident | 129 Ų | 129 | 51.6 Ų | 51.6 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.9 | -33 | 175 | -173.5 | -179.7 | 179 | -175.7 | 0 | 112.6 | P548 L549 K554 | P548-K552 PolarHBondContact O-N 3.32Å; L549-K552 HydrophobicContact CD1-CD 4.4Å; L549-K552 WeakPolarHBondContact O-CB 3.33Å; L549-K552 PolarHBondContact O-N 3.05Å; L549-K552 VanDerWaalsContact O-N 3.16Å; K552-K554 PolarHBondContact O-N 3.31Å |
| 553 | M | 88.4 | Confident | 89.1 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 5% | 0.054 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 4.3 | 176 | -65.2 | 173.7 | 63.7 | 0 | 0 | 113.7 | Y525 P530 A533 I534 L549 L550 L551 R555 | Y525-M553 HydrophobicContact CD1-CG 4.12Å; Y525-M553 HydrophobicContact CD2-CB 4.46Å; Y525-M553 HydrophobicContact CD2-CE 4.03Å; Y525-M553 HydrophobicContact CD2-CG 3.72Å; Y525-M553 HydrophobicContact CD2-SD 4.4Å; Y525-M553 HydrophobicContact CE1-CG 4.26Å; Y525-M553 HydrophobicContact CE2-CB 4.2Å; Y525-M553 HydrophobicContact CE2-CG 3.89Å; Y525-M553 HydrophobicContact CG-CG 3.83Å; Y525-M553 HydrophobicContact CG-SD 4.46Å; P530-M553 HydrophobicContact CB-CE 4.32Å; P530-M553 VanDerWaalsContact O-CE 3.3Å; P530-M553 WeakPolarHBondContact O-CE 3.41Å; A533-M553 HydrophobicContact CB-CE 3.54Å; A533-M553 HydrophobicContact CB-SD 4.03Å; I534-M553 HydrophobicContact CD1-CE 4.39Å; I534-M553 HydrophobicContact CG1-CE 3.68Å; L549-M553 HydrophobicContact CG-SD 4.08Å; L549-M553 VanDerWaalsContact O-CG 3.26Å; L549-M553 WeakPolarHBondContact O-CG 3.39Å; L549-M553 PolarHBondContact O-N 2.89Å; L550-M553 CarbonylContact O-C 3.05Å; L550-M553 PolarHBondContact O-N 3.38Å; L551-M553 PolarHBondContact O-N 2.84Å; M553-R555 HydrophobicContact CB-CG 4.22Å; M553-R555 PolarHBondContact O-N 3.48Å |
| 554 | K | 87.8 | Confident | 89.5 | Confident | 167 Ų | 167 | 45.6 Ų | 45.6 | 73% | 0.726 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 27.3 | -175.6 | -55.4 | -173.8 | 176.8 | -172.1 | 0 | 113.8 | L550 L551 K552 S556 | L550-K554 PolarHBondContact O-N 3.37Å; L551-K554 PolarHBondContact O-N 3.44Å; K552-K554 PolarHBondContact O-N 3.31Å; K554-S556 VanDerWaalsContact C-N 3.3Å; K554-S556 PolarHBondContact O-N 2.73Å |
| 555 | R | 89.2 | Confident | 89.6 | Confident | 103 Ų | 103 | 49.8 Ų | 49.8 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | trans | -94.7 | 56.3 | 175.7 | -64.1 | -60.6 | -166.2 | -178.6 | 5 | 110.7 | E531 I534 L550 M553 Q557 L558 A559 | E531-R555 IonicContact OE1-CZ 3.29Å; E531-R555 IonicContact OE1-NH2 2.97Å; E531-R555 PolarHBondContact OE1-NH2 3.26Å; I534-R555 HydrophobicContact CD1-CG 3.99Å; L550-R555 HydrophobicContact CD2-CB 4.27Å; L550-R555 PolarHBondContact O-N 3.44Å; M553-R555 HydrophobicContact CB-CG 4.22Å; M553-R555 PolarHBondContact O-N 3.48Å; R555-Q557 PolarHBondContact O-N 3.36Å; R555-L558 HydrophobicContact CB-CB 4.39Å; R555-L558 PolarHBondContact O-N 3.43Å; R555-A559 PolarHBondContact O-N 2.6Å | ||
| 556 | S | 88.6 | Confident | 89.8 | Confident | 27 Ų | 27 | 47.4 Ų | 47.4 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -51.6 | -45.4 | -173.9 | -69.1 | 0 | 0 | 0 | 0 | 115.4 | K554 A559 L560 L579 | K554-S556 VanDerWaalsContact C-N 3.3Å; K554-S556 PolarHBondContact O-N 2.73Å; S556-A559 PolarHBondContact O-N 3.2Å; S556-L560 PolarHBondContact O-N 2.91Å; S556-L579 WeakPolarHBondContact OG-CD2 3.48Å |
| 557 | Q | 88.2 | Confident | 89.7 | Confident | 135 Ų | 135 | 50 Ų | 50 | 63% | 0.631 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.6 | -41.8 | -178.8 | -67.1 | 179.7 | -10.8 | 0 | 0 | 112.1 | R555 L560 S561 T591 | R555-Q557 PolarHBondContact O-N 3.36Å; Q557-L560 PolarHBondContact O-N 3.4Å; Q557-S561 PolarHBondContact O-N 3.05Å; Q557-T591 HydrophobicContact CG-CG2 4.13Å |
| 558 | L | 89.1 | Confident | 89.7 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 29% | 0.293 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.6 | -36.4 | 177.2 | -174.4 | 63.1 | 0 | 0 | 0 | 111.4 | I534 L550 R555 L560 S561 K562 | I534-L558 HydrophobicContact CG2-CD2 3.77Å; L550-L558 HydrophobicContact CD1-CD2 4.46Å; L550-L558 HydrophobicContact CD1-CG 4.1Å; L550-L558 HydrophobicContact CD2-CD2 3.81Å; L550-L558 HydrophobicContact CD2-CG 4.29Å; R555-L558 HydrophobicContact CB-CB 4.39Å; R555-L558 PolarHBondContact O-N 3.43Å; L558-L560 VanDerWaalsContact C-N 3.32Å; L558-L560 PolarHBondContact O-N 3.26Å; L558-S561 PolarHBondContact O-N 2.94Å; L558-S561 PolarHBondContact O-OG 3.35Å; L558-K562 HydrophobicContact CD1-CG 4.44Å; L558-K562 WeakPolarHBondContact O-CB 3.36Å; L558-K562 VanDerWaalsContact O-CG 3.31Å; L558-K562 WeakPolarHBondContact O-CG 2.94Å; L558-K562 PolarHBondContact O-N 3.47Å |
| 559 | A | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V547 L550 L551 R555 S556 A563 | V547-A559 HydrophobicContact CG1-CB 4.46Å; L550-A559 HydrophobicContact CB-CB 3.73Å; L550-A559 HydrophobicContact CD1-CB 4.43Å; L551-A559 HydrophobicContact CD2-CB 3.49Å; L551-A559 VanDerWaalsContact CD2-CB 3.49Å; L551-A559 HydrophobicContact CG-CB 4Å; R555-A559 PolarHBondContact O-N 2.6Å; S556-A559 PolarHBondContact O-N 3.2Å; A559-A563 WeakPolarHBondContact O-CB 3.43Å; A559-A563 PolarHBondContact O-N 2.95Å |
| 560 | L | 91 | Very high | 89.6 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 177.8 | -172.8 | 63.4 | 0 | 0 | 0 | 111.8 | S556 Q557 L558 K562 A563 V564 V575 V576 L579 T591 L592 Q595 A598 | S556-L560 PolarHBondContact O-N 2.91Å; Q557-L560 PolarHBondContact O-N 3.4Å; L558-L560 VanDerWaalsContact C-N 3.32Å; L558-L560 PolarHBondContact O-N 3.26Å; L560-K562 VanDerWaalsContact C-N 3.34Å; L560-K562 PolarHBondContact O-N 3.16Å; L560-A563 PolarHBondContact O-N 3.27Å; L560-V564 WeakPolarHBondContact O-CG2 3.28Å; L560-V564 PolarHBondContact O-N 3.06Å; L560-V575 HydrophobicContact CB-CG1 3.95Å; L560-V575 HydrophobicContact CD1-CB 4.25Å; L560-V575 HydrophobicContact CD1-CG1 3.79Å; L560-V575 HydrophobicContact CG-CG1 4.49Å; L560-V576 HydrophobicContact CD1-CG2 4Å; L560-L579 HydrophobicContact CD2-CD1 4.21Å; L560-T591 HydrophobicContact CD2-CG2 4.06Å; L560-L592 HydrophobicContact CD2-CD2 4.23Å; L560-Q595 HydrophobicContact CD2-CB 3.99Å; L560-Q595 HydrophobicContact CD2-CG 3.9Å; L560-Q595 HydrophobicContact CG-CB 4.42Å; L560-Q595 HydrophobicContact CG-CG 4.2Å; L560-A598 HydrophobicContact CD1-CB 3.74Å; L560-A598 HydrophobicContact CD2-CB 4.17Å; L560-A598 HydrophobicContact CG-CB 4.2Å |
| 561 | S | 91.3 | Very high | 89.6 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | Q557 L558 V564 E565 | Q557-S561 PolarHBondContact O-N 3.05Å; L558-S561 PolarHBondContact O-N 2.94Å; L558-S561 PolarHBondContact O-OG 3.35Å; S561-V564 PolarHBondContact O-N 3.21Å; S561-E565 WeakPolarHBondContact O-CB 3.41Å; S561-E565 WeakPolarHBondContact O-CG 3.37Å; S561-E565 PolarHBondContact O-N 3.18Å |
| 562 | K | 89 | Confident | 89.7 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 18% | 0.183 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 177.3 | -69.4 | -64 | 176.5 | -165.4 | 0 | 113.7 | Q546 V547 L550 L558 L560 E565 S566 | Q546-K562 HydrophobicContact CG-CB 4.46Å; Q546-K562 HydrophobicContact CG-CG 4.42Å; V547-K562 HydrophobicContact CG2-CB 4.17Å; L550-K562 HydrophobicContact CD1-CB 4.27Å; L550-K562 HydrophobicContact CD1-CG 4Å; L558-K562 HydrophobicContact CD1-CG 4.44Å; L558-K562 WeakPolarHBondContact O-CB 3.36Å; L558-K562 VanDerWaalsContact O-CG 3.31Å; L558-K562 WeakPolarHBondContact O-CG 2.94Å; L558-K562 PolarHBondContact O-N 3.47Å; L560-K562 VanDerWaalsContact C-N 3.34Å; L560-K562 PolarHBondContact O-N 3.16Å; K562-E565 WeakPolarHBondContact CD-OE2 3.24Å; K562-E565 IonicContact NZ-OE2 3.39Å; K562-E565 PolarHBondContact NZ-OE2 3.42Å; K562-S566 PolarHBondContact O-N 3.02Å; K562-S566 VanDerWaalsContact O-N 3.1Å |
| 563 | A | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | V547 A559 L560 S566 L571 V572 V575 | V547-A563 HydrophobicContact CG1-CB 4.45Å; V547-A563 HydrophobicContact CG2-CB 4.04Å; A559-A563 WeakPolarHBondContact O-CB 3.43Å; A559-A563 PolarHBondContact O-N 2.95Å; L560-A563 PolarHBondContact O-N 3.27Å; A563-S566 PolarHBondContact O-N 2.9Å; A563-S566 PolarHBondContact O-OG 3.39Å; A563-L571 HydrophobicContact CB-CD2 4.44Å; A563-L571 HydrophobicContact CB-CG 4.17Å; A563-V572 HydrophobicContact CB-CG2 3.97Å; A563-V572 WeakPolarHBondContact O-CG2 3.41Å; A563-V575 HydrophobicContact CB-CG2 3.93Å |
| 564 | V | 91.1 | Very high | 89.8 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69 | -43.2 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 111 | L560 S561 S566 G567 V572 V597 A598 | L560-V564 WeakPolarHBondContact O-CG2 3.28Å; L560-V564 PolarHBondContact O-N 3.06Å; S561-V564 PolarHBondContact O-N 3.21Å; V564-S566 PolarHBondContact O-N 3.36Å; V564-G567 PolarHBondContact O-N 3.33Å; V564-G567 VanDerWaalsContact O-N 3.17Å; V564-V572 HydrophobicContact CG2-CG2 4.19Å; V564-V597 HydrophobicContact CG1-CB 3.77Å; V564-V597 HydrophobicContact CG1-CG1 4.1Å; V564-V597 HydrophobicContact CG1-CG2 4.06Å; V564-V597 HydrophobicContact CG2-CB 4.42Å; V564-A598 HydrophobicContact CG2-CB 4.18Å |
| 565 | E | 89.1 | Confident | 90 | Very high | 129 Ų | 129 | 50.3 Ų | 50.3 | 60% | 0.603 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.3 | -30.2 | 175.8 | -76.1 | 169.7 | -154 | 0 | 0 | 112.7 | S561 K562 G567 | S561-E565 WeakPolarHBondContact O-CB 3.41Å; S561-E565 WeakPolarHBondContact O-CG 3.37Å; S561-E565 PolarHBondContact O-N 3.18Å; K562-E565 WeakPolarHBondContact CD-OE2 3.24Å; K562-E565 IonicContact NZ-OE2 3.39Å; K562-E565 PolarHBondContact NZ-OE2 3.42Å; E565-G567 VanDerWaalsContact C-N 3.27Å; E565-G567 PolarHBondContact O-N 3.17Å |
| 566 | S | 89.8 | Confident | 90.1 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -18.8 | 178.9 | 79.6 | 0 | 0 | 0 | 0 | 113.9 | S543 K562 A563 V564 D568 | S543-S566 WeakPolarHBondContact OG-CB 3.31Å; K562-S566 PolarHBondContact O-N 3.02Å; K562-S566 VanDerWaalsContact O-N 3.1Å; A563-S566 PolarHBondContact O-N 2.9Å; A563-S566 PolarHBondContact O-OG 3.39Å; V564-S566 PolarHBondContact O-N 3.36Å; S566-D568 PolarHBondContact O-N 3.12Å; S566-D568 WeakPolarHBondContact OG-CB 3.3Å; S566-D568 PolarHBondContact OG-N 3.43Å |
| 567 | G | 87 | Confident | 90.1 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 66% | 0.66 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 7.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V564 E565 T569 | V564-G567 PolarHBondContact O-N 3.33Å; V564-G567 VanDerWaalsContact O-N 3.17Å; E565-G567 VanDerWaalsContact C-N 3.27Å; E565-G567 PolarHBondContact O-N 3.17Å; G567-T569 PolarHBondContact O-N 3.25Å |
| 568 | D | 90.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 44.7 Ų | 44.7 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | trans | -87.7 | 108.9 | 179.6 | -173.1 | -19.7 | 0 | 0 | 0 | 109.6 | S566 D570 L571 V572 | S566-D568 PolarHBondContact O-N 3.12Å; S566-D568 WeakPolarHBondContact OG-CB 3.3Å; S566-D568 PolarHBondContact OG-N 3.43Å; D568-D570 VanDerWaalsContact C-N 3.29Å; D568-D570 PolarHBondContact O-N 3.4Å; D568-D570 WeakPolarHBondContact OD1-CB 3.44Å; D568-D570 PolarHBondContact OD1-N 2.96Å; D568-L571 HydrophobicContact CB-CB 3.9Å; D568-L571 PolarHBondContact O-N 3.49Å; D568-L571 PolarHBondContact OD1-N 2.89Å; D568-V572 WeakPolarHBondContact O-CG2 3.45Å; D568-V572 PolarHBondContact O-N 3.31Å; D568-V572 VanDerWaalsContact O-N 3.09Å | ||
| 569 | T | 89.9 | Confident | 90.2 | Very high | 79 Ų | 79 | 42 Ų | 42 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -33.6 | -177.2 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | G567 V572 Y573 L601 | G567-T569 PolarHBondContact O-N 3.25Å; T569-V572 PolarHBondContact O-N 3.01Å; T569-Y573 WeakPolarHBondContact O-CD2 3.41Å; T569-Y573 PolarHBondContact O-N 3.4Å; T569-L601 HydrophobicContact CG2-CD1 4.3Å; T569-L601 HydrophobicContact CG2-CD2 4.16Å |
| 570 | D | 90.4 | Very high | 89.9 | Confident | 111 Ų | 111 | 45.1 Ų | 45.1 | 59% | 0.594 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -69.1 | -40.3 | 179.2 | -169.9 | 52.4 | 0 | 0 | 0 | 110.9 | D568 V572 Y573 T574 | D568-D570 VanDerWaalsContact C-N 3.29Å; D568-D570 PolarHBondContact O-N 3.4Å; D568-D570 WeakPolarHBondContact OD1-CB 3.44Å; D568-D570 PolarHBondContact OD1-N 2.96Å; D570-V572 VanDerWaalsContact C-N 3.35Å; D570-V572 PolarHBondContact O-N 2.98Å; D570-Y573 PolarHBondContact O-N 2.86Å; D570-T574 WeakPolarHBondContact O-CB 3.34Å; D570-T574 PolarHBondContact O-N 3.42Å; D570-T574 PolarHBondContact O-OG1 3.41Å |
| 571 | L | 89.9 | Confident | 89.8 | Confident | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 175.7 | -161.6 | 62.5 | 0 | 0 | 0 | 111.6 | V547 A563 D568 T574 V575 | V547-L571 HydrophobicContact CB-CD1 3.98Å; V547-L571 HydrophobicContact CB-CD2 3.97Å; V547-L571 HydrophobicContact CB-CG 4.03Å; V547-L571 HydrophobicContact CG1-CD1 4Å; V547-L571 HydrophobicContact CG1-CG 4.05Å; V547-L571 HydrophobicContact CG2-CD2 3.63Å; V547-L571 HydrophobicContact CG2-CG 4.05Å; A563-L571 HydrophobicContact CB-CD2 4.44Å; A563-L571 HydrophobicContact CB-CG 4.17Å; D568-L571 HydrophobicContact CB-CB 3.9Å; D568-L571 PolarHBondContact O-N 3.49Å; D568-L571 PolarHBondContact OD1-N 2.89Å; L571-T574 WeakPolarHBondContact O-CB 3.38Å; L571-T574 PolarHBondContact O-N 3.34Å; L571-V575 WeakPolarHBondContact O-CG2 3.47Å; L571-V575 PolarHBondContact O-N 3.45Å |
| 572 | V | 91.7 | Very high | 89.6 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | A563 V564 D568 T569 D570 T574 V575 V576 A598 L601 | A563-V572 HydrophobicContact CB-CG2 3.97Å; A563-V572 WeakPolarHBondContact O-CG2 3.41Å; V564-V572 HydrophobicContact CG2-CG2 4.19Å; D568-V572 WeakPolarHBondContact O-CG2 3.45Å; D568-V572 PolarHBondContact O-N 3.31Å; D568-V572 VanDerWaalsContact O-N 3.09Å; T569-V572 PolarHBondContact O-N 3.01Å; D570-V572 VanDerWaalsContact C-N 3.35Å; D570-V572 PolarHBondContact O-N 2.98Å; V572-T574 VanDerWaalsContact C-N 3.28Å; V572-T574 PolarHBondContact O-N 3.37Å; V572-V575 PolarHBondContact O-N 3.37Å; V572-V576 HydrophobicContact CG1-CG2 4.11Å; V572-V576 WeakPolarHBondContact O-CB 3.14Å; V572-V576 VanDerWaalsContact O-CG2 3.26Å; V572-V576 WeakPolarHBondContact O-CG2 3.24Å; V572-V576 PolarHBondContact O-N 3.24Å; V572-A598 HydrophobicContact CG1-CB 4.14Å; V572-L601 HydrophobicContact CB-CD1 4.04Å; V572-L601 HydrophobicContact CG1-CD1 3.76Å; V572-L601 HydrophobicContact CG2-CD1 4.4Å |
| 573 | Y | 90.6 | Very high | 89.5 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 176.9 | -77.5 | -56.1 | 0 | 0 | 0 | 112.7 | T569 D570 V576 T577 L601 F605 | T569-Y573 WeakPolarHBondContact O-CD2 3.41Å; T569-Y573 PolarHBondContact O-N 3.4Å; D570-Y573 PolarHBondContact O-N 2.86Å; Y573-V576 PolarHBondContact O-N 3.35Å; Y573-T577 VanDerWaalsContact O-CB 3.28Å; Y573-T577 WeakPolarHBondContact O-CB 3.34Å; Y573-T577 PolarHBondContact O-N 2.96Å; Y573-T577 PolarHBondContact O-OG1 3.47Å; Y573-L601 HydrophobicContact CE1-CB 4.1Å; Y573-L601 WeakPolarHBondContact CE1-O 3.44Å; Y573-L601 PolarHBondContact OH-O 3.36Å; Y573-F605 HydrophobicContact CE1-CB 3.8Å |
| 574 | T | 90.3 | Very high | 89.3 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | D570 L571 V572 Y578 | D570-T574 WeakPolarHBondContact O-CB 3.34Å; D570-T574 PolarHBondContact O-N 3.42Å; D570-T574 PolarHBondContact O-OG1 3.41Å; L571-T574 WeakPolarHBondContact O-CB 3.38Å; L571-T574 PolarHBondContact O-N 3.34Å; V572-T574 VanDerWaalsContact C-N 3.28Å; V572-T574 PolarHBondContact O-N 3.37Å; T574-Y578 WeakPolarHBondContact O-CB 3.48Å; T574-Y578 PolarHBondContact O-N 2.95Å |
| 575 | V | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -50 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | V547 L551 L560 A563 L571 V572 T577 Y578 L579 | V547-V575 HydrophobicContact CG1-CG2 3.2Å; L551-V575 HydrophobicContact CD1-CG2 4.25Å; L551-V575 HydrophobicContact CD2-CG1 4.19Å; L551-V575 HydrophobicContact CD2-CG2 4.48Å; L560-V575 HydrophobicContact CB-CG1 3.95Å; L560-V575 HydrophobicContact CD1-CB 4.25Å; L560-V575 HydrophobicContact CD1-CG1 3.79Å; L560-V575 HydrophobicContact CG-CG1 4.49Å; A563-V575 HydrophobicContact CB-CG2 3.93Å; L571-V575 WeakPolarHBondContact O-CG2 3.47Å; L571-V575 PolarHBondContact O-N 3.45Å; V572-V575 PolarHBondContact O-N 3.37Å; V575-T577 VanDerWaalsContact C-N 3.27Å; V575-T577 PolarHBondContact O-N 3Å; V575-Y578 WeakPolarHBondContact O-CB 3.19Å; V575-Y578 PolarHBondContact O-N 3.31Å; V575-Y578 VanDerWaalsContact O-N 3.1Å; V575-L579 HydrophobicContact CG1-CD1 3.93Å; V575-L579 HydrophobicContact CG1-CG 4.03Å; V575-L579 VanDerWaalsContact O-CG 3.3Å; V575-L579 WeakPolarHBondContact O-CG 3.49Å; V575-L579 PolarHBondContact O-N 3.46Å |
| 576 | V | 90.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.1 | -40.9 | -177.6 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | L560 V572 Y573 L579 K580 F588 L592 A598 Y602 | L560-V576 HydrophobicContact CD1-CG2 4Å; V572-V576 HydrophobicContact CG1-CG2 4.11Å; V572-V576 WeakPolarHBondContact O-CB 3.14Å; V572-V576 VanDerWaalsContact O-CG2 3.26Å; V572-V576 WeakPolarHBondContact O-CG2 3.24Å; V572-V576 PolarHBondContact O-N 3.24Å; Y573-V576 PolarHBondContact O-N 3.35Å; V576-L579 PolarHBondContact O-N 3.1Å; V576-K580 WeakPolarHBondContact O-CB 3.37Å; V576-K580 PolarHBondContact O-N 2.87Å; V576-F588 HydrophobicContact CG1-CE2 4.07Å; V576-F588 HydrophobicContact CG1-CZ 3.85Å; V576-F588 WeakPolarHBondContact O-CE2 3.43Å; V576-L592 HydrophobicContact CG1-CD2 4.36Å; V576-L592 HydrophobicContact CG2-CD2 3.93Å; V576-A598 HydrophobicContact CG2-CB 4.33Å; V576-Y602 HydrophobicContact CG1-CD2 3.45Å; V576-Y602 VanDerWaalsContact CG1-CD2 3.45Å; V576-Y602 HydrophobicContact CG1-CE2 4.08Å; V576-Y602 HydrophobicContact CG1-CG 4.05Å |
| 577 | T | 89.5 | Confident | 88.2 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | Y573 V575 K580 N581 | Y573-T577 VanDerWaalsContact O-CB 3.28Å; Y573-T577 WeakPolarHBondContact O-CB 3.34Å; Y573-T577 PolarHBondContact O-N 2.96Å; Y573-T577 PolarHBondContact O-OG1 3.47Å; V575-T577 VanDerWaalsContact C-N 3.27Å; V575-T577 PolarHBondContact O-N 3Å; T577-K580 PolarHBondContact O-N 3.24Å; T577-N581 PolarHBondContact O-N 2.93Å |
| 578 | Y | 89.8 | Confident | 88.2 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 29% | 0.29 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 174.7 | 179.6 | -93.7 | 0 | 0 | 0 | 111.6 | L551 T574 V575 K580 N581 E582 | L551-Y578 HydrophobicContact CB-CD1 4.43Å; L551-Y578 HydrophobicContact CB-CE1 4.21Å; L551-Y578 HydrophobicContact CD1-CD1 4.2Å; L551-Y578 HydrophobicContact CD1-CG 4.12Å; L551-Y578 HydrophobicContact CD2-CD1 3.66Å; L551-Y578 HydrophobicContact CD2-CE1 3.97Å; L551-Y578 HydrophobicContact CD2-CG 4.39Å; L551-Y578 HydrophobicContact CG-CD1 4.31Å; T574-Y578 WeakPolarHBondContact O-CB 3.48Å; T574-Y578 PolarHBondContact O-N 2.95Å; V575-Y578 WeakPolarHBondContact O-CB 3.19Å; V575-Y578 PolarHBondContact O-N 3.31Å; V575-Y578 VanDerWaalsContact O-N 3.1Å; Y578-K580 VanDerWaalsContact C-N 3.3Å; Y578-K580 PolarHBondContact O-N 3.21Å; Y578-N581 PolarHBondContact O-N 3.16Å; Y578-N581 VanDerWaalsContact O-N 3.17Å; Y578-E582 HydrophobicContact CD1-CG 4.32Å; Y578-E582 HydrophobicContact CD2-CG 4.48Å; Y578-E582 HydrophobicContact CE1-CG 3.86Å; Y578-E582 HydrophobicContact CE2-CG 4.01Å; Y578-E582 PolarHBondContact O-N 3.04Å; Y578-E582 VanDerWaalsContact O-N 3.12Å |
| 579 | L | 88.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 178.4 | -63 | -177.7 | 0 | 0 | 0 | 112.4 | S556 L560 V575 V576 N581 E582 M583 F588 T591 | S556-L579 WeakPolarHBondContact OG-CD2 3.48Å; L560-L579 HydrophobicContact CD2-CD1 4.21Å; V575-L579 HydrophobicContact CG1-CD1 3.93Å; V575-L579 HydrophobicContact CG1-CG 4.03Å; V575-L579 VanDerWaalsContact O-CG 3.3Å; V575-L579 WeakPolarHBondContact O-CG 3.49Å; V575-L579 PolarHBondContact O-N 3.46Å; V576-L579 PolarHBondContact O-N 3.1Å; L579-N581 VanDerWaalsContact C-N 3.26Å; L579-N581 PolarHBondContact O-N 2.91Å; L579-E582 PolarHBondContact O-N 3.1Å; L579-M583 HydrophobicContact CB-SD 4.1Å; L579-M583 HydrophobicContact CD2-SD 3.84Å; L579-M583 HydrophobicContact CG-SD 4.38Å; L579-M583 VanDerWaalsContact O-CB 3.24Å; L579-M583 WeakPolarHBondContact O-CB 3.46Å; L579-M583 WeakPolarHBondContact O-CG 3.4Å; L579-M583 PolarHBondContact O-N 2.73Å; L579-F588 HydrophobicContact CB-CD2 3.8Å; L579-F588 HydrophobicContact CB-CE2 3.92Å; L579-T591 HydrophobicContact CD1-CG2 4.26Å |
| 580 | K | 86.4 | Confident | 87.6 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.2 | -34.8 | 177.4 | -173.2 | -174.5 | -178.5 | -176.4 | 0 | 112.6 | V576 T577 Y578 F588 E610 | V576-K580 WeakPolarHBondContact O-CB 3.37Å; V576-K580 PolarHBondContact O-N 2.87Å; T577-K580 PolarHBondContact O-N 3.24Å; Y578-K580 VanDerWaalsContact C-N 3.3Å; Y578-K580 PolarHBondContact O-N 3.21Å; K580-F588 HydrophobicContact CB-CD2 4.38Å; K580-F588 HydrophobicContact CB-CE2 3.89Å; K580-F588 HydrophobicContact CB-CZ 3.98Å; K580-F588 HydrophobicContact CG-CZ 4.4Å; K580-E610 IonicContact NZ-OE1 3.66Å; K580-E610 PolarHBondContact NZ-OE1 2.62Å; K580-E610 IonicContact NZ-OE2 3.7Å; K580-E610 PolarHBondContact NZ-OE2 3.39Å |
| 581 | N | 87.9 | Confident | 87.4 | Confident | 126 Ų | 126 | 55.5 Ų | 55.5 | 67% | 0.674 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -82.8 | -32.9 | -178.6 | -68.1 | -19.9 | 0 | 0 | 0 | 112.7 | T577 Y578 L579 | T577-N581 PolarHBondContact O-N 2.93Å; Y578-N581 PolarHBondContact O-N 3.16Å; Y578-N581 VanDerWaalsContact O-N 3.17Å; L579-N581 VanDerWaalsContact C-N 3.26Å; L579-N581 PolarHBondContact O-N 2.91Å |
| 582 | E | 87.2 | Confident | 87.2 | Confident | 130 Ų | 130 | 54.8 Ų | 54.8 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -90.6 | -32 | -176 | -71.3 | -74 | 138.4 | 0 | 0 | 113.6 | Y578 L579 | Y578-E582 HydrophobicContact CD1-CG 4.32Å; Y578-E582 HydrophobicContact CD2-CG 4.48Å; Y578-E582 HydrophobicContact CE1-CG 3.86Å; Y578-E582 HydrophobicContact CE2-CG 4.01Å; Y578-E582 PolarHBondContact O-N 3.04Å; Y578-E582 VanDerWaalsContact O-N 3.12Å; L579-E582 PolarHBondContact O-N 3.1Å |
| 583 | M | 86.8 | Confident | 86.8 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -98.6 | 153 | -173.9 | -56.6 | -177.9 | 69 | 0 | 0 | 111.7 | L579 D587 F588 T591 | L579-M583 HydrophobicContact CB-SD 4.1Å; L579-M583 HydrophobicContact CD2-SD 3.84Å; L579-M583 HydrophobicContact CG-SD 4.38Å; L579-M583 VanDerWaalsContact O-CB 3.24Å; L579-M583 WeakPolarHBondContact O-CB 3.46Å; L579-M583 WeakPolarHBondContact O-CG 3.4Å; L579-M583 PolarHBondContact O-N 2.73Å; M583-D587 HydrophobicContact CE-CB 3.56Å; M583-F588 HydrophobicContact CB-CB 4.22Å; M583-T591 WeakPolarHBondContact CE-OG1 3.42Å |
| 584 | N | 86.8 | Confident | 86.6 | Confident | 92 Ų | 92 | 64.9 Ų | 64.9 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | trans | -67.5 | 159.6 | 167.2 | 70.3 | 47.7 | 0 | 0 | 0 | 110.2 | G586 D587 F588 | N584-G586 VanDerWaalsContact C-N 3.26Å; N584-G586 PolarHBondContact O-N 3.49Å; N584-G586 PolarHBondContact OD1-N 3.3Å; N584-G586 VanDerWaalsContact OD1-N 3.13Å; N584-D587 PolarHBondContact ND2-OD2 3.36Å; N584-D587 PolarHBondContact O-N 3.23Å; N584-D587 WeakPolarHBondContact OD1-CB 3.5Å; N584-D587 VanDerWaalsContact OD1-CG 3.31Å; N584-D587 PolarHBondContact OD1-N 2.95Å; N584-D587 PolarHBondContact OD1-OD2 3.06Å; N584-F588 VanDerWaalsContact O-CB 3.28Å; N584-F588 WeakPolarHBondContact O-CB 3.28Å; N584-F588 PolarHBondContact O-N 2.88Å | ||
| 585 | R | 81.9 | Confident | 86.5 | Confident | 141 Ų | 141 | 64.2 Ų | 64.2 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.4 | -38.2 | -176.5 | -70.7 | 178.3 | 74.1 | 101.5 | -8 | 112.8 | F589 D616 | R585-F589 HydrophobicContact CB-CE2 4.34Å; R585-F589 WeakPolarHBondContact O-CD2 3.33Å; R585-F589 WeakPolarHBondContact O-CG 3.48Å; R585-F589 PolarHBondContact O-N 3.12Å; R585-D616 IonicContact NH2-OD2 2.92Å; R585-D616 PolarHBondContact NH2-OD2 3.49Å; R585-D616 VanDerWaalsContact NH2-OD2 3.15Å |
| 586 | G | 81.4 | Confident | 86.3 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -52.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | N584 F588 F589 M590 | N584-G586 VanDerWaalsContact C-N 3.26Å; N584-G586 PolarHBondContact O-N 3.49Å; N584-G586 PolarHBondContact OD1-N 3.3Å; N584-G586 VanDerWaalsContact OD1-N 3.13Å; G586-F588 VanDerWaalsContact C-N 3.28Å; G586-F588 PolarHBondContact O-N 2.89Å; G586-F589 PolarHBondContact O-N 2.89Å; G586-M590 WeakPolarHBondContact O-CG 3.26Å; G586-M590 PolarHBondContact O-N 3.43Å |
| 587 | D | 83.8 | Confident | 86.2 | Confident | 85 Ų | 85 | 72.1 Ų | 72.1 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -33.6 | -179.3 | -64.2 | -25.6 | 0 | 0 | 0 | 111.6 | M583 N584 T591 | M583-D587 HydrophobicContact CE-CB 3.56Å; N584-D587 PolarHBondContact ND2-OD2 3.36Å; N584-D587 PolarHBondContact O-N 3.23Å; N584-D587 WeakPolarHBondContact OD1-CB 3.5Å; N584-D587 VanDerWaalsContact OD1-CG 3.31Å; N584-D587 PolarHBondContact OD1-N 2.95Å; N584-D587 PolarHBondContact OD1-OD2 3.06Å; D587-T591 WeakPolarHBondContact O-CB 3.43Å; D587-T591 PolarHBondContact O-N 2.85Å; D587-T591 PolarHBondContact O-OG1 3.11Å |
| 588 | F | 87.5 | Confident | 86.2 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.1 | -52.4 | 172.9 | 174.5 | -109.4 | 0 | 0 | 0 | 111.5 | V576 L579 K580 M583 N584 G586 M590 T591 L592 Y602 | V576-F588 HydrophobicContact CG1-CE2 4.07Å; V576-F588 HydrophobicContact CG1-CZ 3.85Å; V576-F588 WeakPolarHBondContact O-CE2 3.43Å; L579-F588 HydrophobicContact CB-CD2 3.8Å; L579-F588 HydrophobicContact CB-CE2 3.92Å; K580-F588 HydrophobicContact CB-CD2 4.38Å; K580-F588 HydrophobicContact CB-CE2 3.89Å; K580-F588 HydrophobicContact CB-CZ 3.98Å; K580-F588 HydrophobicContact CG-CZ 4.4Å; M583-F588 HydrophobicContact CB-CB 4.22Å; N584-F588 VanDerWaalsContact O-CB 3.28Å; N584-F588 WeakPolarHBondContact O-CB 3.28Å; N584-F588 PolarHBondContact O-N 2.88Å; G586-F588 VanDerWaalsContact C-N 3.28Å; G586-F588 PolarHBondContact O-N 2.89Å; F588-M590 PolarHBondContact O-N 3.28Å; F588-T591 PolarHBondContact O-N 3Å; F588-L592 HydrophobicContact CD1-CD1 4.12Å; F588-L592 HydrophobicContact CD2-CD1 4.47Å; F588-L592 HydrophobicContact CE1-CD1 3.5Å; F588-L592 HydrophobicContact CE2-CD1 3.89Å; F588-L592 HydrophobicContact CE2-CG 4.23Å; F588-L592 HydrophobicContact CZ-CD1 3.39Å; F588-L592 HydrophobicContact CZ-CG 4.22Å; F588-L592 PolarHBondContact O-N 3.35Å; F588-Y602 HydrophobicContact CE1-CD1 4.37Å; F588-Y602 AromaticContact CE1-CE1 3.72Å; F588-Y602 HydrophobicContact CE1-CE1 3.72Å; F588-Y602 HydrophobicContact CE1-CE2 4.21Å; F588-Y602 AromaticContact CE1-CZ 3.63Å; F588-Y602 HydrophobicContact CZ-CD2 4.32Å; F588-Y602 HydrophobicContact CZ-CE1 4.16Å; F588-Y602 AromaticContact CZ-CE2 3.94Å; F588-Y602 HydrophobicContact CZ-CE2 3.94Å; F588-Y602 AromaticContact CZ-CZ 3.84Å |
| 589 | F | 83.8 | Confident | 86.1 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 178.7 | -69 | -49.6 | 0 | 0 | 0 | 112.5 | R585 G586 T591 L592 R593 Y602 T613 L617 | R585-F589 HydrophobicContact CB-CE2 4.34Å; R585-F589 WeakPolarHBondContact O-CD2 3.33Å; R585-F589 WeakPolarHBondContact O-CG 3.48Å; R585-F589 PolarHBondContact O-N 3.12Å; G586-F589 PolarHBondContact O-N 2.89Å; F589-T591 VanDerWaalsContact C-N 3.29Å; F589-T591 PolarHBondContact O-N 3.05Å; F589-L592 PolarHBondContact O-N 2.85Å; F589-R593 WeakPolarHBondContact O-CB 3.33Å; F589-R593 PolarHBondContact O-N 2.96Å; F589-Y602 HydrophobicContact CE1-CE1 4.05Å; F589-T613 HydrophobicContact CZ-CG2 4.13Å; F589-L617 HydrophobicContact CD1-CD2 3.43Å; F589-L617 VanDerWaalsContact CD1-CD2 3.43Å; F589-L617 HydrophobicContact CD1-CG 4.43Å; F589-L617 HydrophobicContact CE1-CD1 4.34Å; F589-L617 HydrophobicContact CE1-CD2 3.32Å; F589-L617 HydrophobicContact CE1-CG 3.84Å; F589-L617 HydrophobicContact CG-CD2 4.34Å; F589-L617 HydrophobicContact CZ-CD2 4.14Å; F589-L617 HydrophobicContact CZ-CG 4.38Å |
| 590 | M | 84.4 | Confident | 86.1 | Confident | 110 Ų | 110 | 69 Ų | 69 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 174.2 | -74.7 | -63.8 | -67.8 | 0 | 0 | 112 | G586 F588 R593 N594 | G586-M590 WeakPolarHBondContact O-CG 3.26Å; G586-M590 PolarHBondContact O-N 3.43Å; F588-M590 PolarHBondContact O-N 3.28Å; M590-R593 PolarHBondContact O-N 3.09Å; M590-N594 PolarHBondContact O-N 3.4Å; M590-N594 PolarHBondContact O-ND2 3.38Å |
| 591 | T | 85 | Confident | 86.2 | Confident | 10 Ų | 10 | 67 Ų | 67 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | Q557 L560 L579 M583 D587 F588 F589 N594 | Q557-T591 HydrophobicContact CG-CG2 4.13Å; L560-T591 HydrophobicContact CD2-CG2 4.06Å; L579-T591 HydrophobicContact CD1-CG2 4.26Å; M583-T591 WeakPolarHBondContact CE-OG1 3.42Å; D587-T591 WeakPolarHBondContact O-CB 3.43Å; D587-T591 PolarHBondContact O-N 2.85Å; D587-T591 PolarHBondContact O-OG1 3.11Å; F588-T591 PolarHBondContact O-N 3Å; F589-T591 VanDerWaalsContact C-N 3.29Å; F589-T591 PolarHBondContact O-N 3.05Å; T591-N594 PolarHBondContact O-N 3.32Å |
| 592 | L | 85.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66 | -36.1 | 176 | -72.2 | -179.3 | 0 | 0 | 0 | 112.7 | L560 V576 F588 F589 N594 Q595 A598 L599 Y602 | L560-L592 HydrophobicContact CD2-CD2 4.23Å; V576-L592 HydrophobicContact CG1-CD2 4.36Å; V576-L592 HydrophobicContact CG2-CD2 3.93Å; F588-L592 HydrophobicContact CD1-CD1 4.12Å; F588-L592 HydrophobicContact CD2-CD1 4.47Å; F588-L592 HydrophobicContact CE1-CD1 3.5Å; F588-L592 HydrophobicContact CE2-CD1 3.89Å; F588-L592 HydrophobicContact CE2-CG 4.23Å; F588-L592 HydrophobicContact CZ-CD1 3.39Å; F588-L592 HydrophobicContact CZ-CG 4.22Å; F588-L592 PolarHBondContact O-N 3.35Å; F589-L592 PolarHBondContact O-N 2.85Å; L592-N594 VanDerWaalsContact C-N 3.25Å; L592-N594 PolarHBondContact O-N 3.41Å; L592-Q595 CarbonylContact O-C 3.57Å; L592-Q595 VanDerWaalsContact O-C 3.24Å; L592-Q595 WeakPolarHBondContact O-CA 3.47Å; L592-Q595 PolarHBondContact O-N 3.48Å; L592-A598 HydrophobicContact CD2-CB 3.92Å; L592-L599 HydrophobicContact CB-CB 4.49Å; L592-L599 HydrophobicContact CB-CD1 4.2Å; L592-Y602 HydrophobicContact CD1-CD1 3.71Å; L592-Y602 HydrophobicContact CD1-CE1 4.25Å; L592-Y602 HydrophobicContact CD1-CG 3.97Å |
| 593 | R | 84.5 | Confident | 86.3 | Confident | 165 Ų | 165 | 58 Ų | 58 | 62% | 0.623 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.5 | -35.1 | 178.4 | -173.3 | 177.3 | 179.5 | 176.3 | 4.4 | 112.4 | F589 M590 Q595 | F589-R593 WeakPolarHBondContact O-CB 3.33Å; F589-R593 PolarHBondContact O-N 2.96Å; M590-R593 PolarHBondContact O-N 3.09Å; R593-Q595 PolarHBondContact O-N 3.17Å |
| 594 | N | 85.7 | Confident | 86.3 | Confident | 109 Ų | 109 | 61 Ų | 61 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8 | 175.3 | -66.9 | -23.3 | 0 | 0 | 0 | 113.1 | M590 T591 L592 | M590-N594 PolarHBondContact O-N 3.4Å; M590-N594 PolarHBondContact O-ND2 3.38Å; T591-N594 PolarHBondContact O-N 3.32Å; L592-N594 VanDerWaalsContact C-N 3.25Å; L592-N594 PolarHBondContact O-N 3.41Å |
| 595 | Q | 87.6 | Confident | 86.3 | Confident | 55 Ų | 55 | 60 Ų | 60 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | trans | -133.1 | 84.7 | -178.5 | -69 | -63.4 | -26.3 | 0 | 0 | 111.1 | L560 L592 R593 V597 A598 L599 | L560-Q595 HydrophobicContact CD2-CB 3.99Å; L560-Q595 HydrophobicContact CD2-CG 3.9Å; L560-Q595 HydrophobicContact CG-CB 4.42Å; L560-Q595 HydrophobicContact CG-CG 4.2Å; L592-Q595 CarbonylContact O-C 3.57Å; L592-Q595 VanDerWaalsContact O-C 3.24Å; L592-Q595 WeakPolarHBondContact O-CA 3.47Å; L592-Q595 PolarHBondContact O-N 3.48Å; R593-Q595 PolarHBondContact O-N 3.17Å; Q595-V597 VanDerWaalsContact C-N 3.26Å; Q595-V597 PolarHBondContact O-N 2.9Å; Q595-V597 VanDerWaalsContact O-N 3.11Å; Q595-A598 HydrophobicContact CB-CB 4.07Å; Q595-A598 PolarHBondContact O-N 3.29Å; Q595-L599 PolarHBondContact O-N 3.15Å; Q595-L599 VanDerWaalsContact O-N 3.12Å | ||
| 596 | P | 87.1 | Confident | 86.5 | Confident | 95 Ų | 95 | 53.3 Ų | 53.3 | 62% | 0.617 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -56.4 | -32.9 | -172.1 | -27.5 | 34.7 | 0 | 0 | 0 | 115.3 | L599 S600 | P596-L599 PolarHBondContact O-N 2.97Å; P596-S600 PolarHBondContact O-N 3.43Å |
| 597 | V | 88.9 | Confident | 86.7 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 178.5 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | V564 Q595 L599 S600 L601 | V564-V597 HydrophobicContact CG1-CB 3.77Å; V564-V597 HydrophobicContact CG1-CG1 4.1Å; V564-V597 HydrophobicContact CG1-CG2 4.06Å; V564-V597 HydrophobicContact CG2-CB 4.42Å; Q595-V597 VanDerWaalsContact C-N 3.26Å; Q595-V597 PolarHBondContact O-N 2.9Å; Q595-V597 VanDerWaalsContact O-N 3.11Å; V597-L599 VanDerWaalsContact C-N 3.34Å; V597-S600 PolarHBondContact O-N 3.15Å; V597-S600 PolarHBondContact O-OG 3.39Å; V597-L601 HydrophobicContact CG1-CD1 4.39Å; V597-L601 WeakPolarHBondContact O-CG 3.47Å; V597-L601 PolarHBondContact O-N 2.98Å |
| 598 | A | 88.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L560 V564 V572 V576 L592 Q595 Y602 | L560-A598 HydrophobicContact CD1-CB 3.74Å; L560-A598 HydrophobicContact CD2-CB 4.17Å; L560-A598 HydrophobicContact CG-CB 4.2Å; V564-A598 HydrophobicContact CG2-CB 4.18Å; V572-A598 HydrophobicContact CG1-CB 4.14Å; V576-A598 HydrophobicContact CG2-CB 4.33Å; L592-A598 HydrophobicContact CD2-CB 3.92Å; Q595-A598 HydrophobicContact CB-CB 4.07Å; Q595-A598 PolarHBondContact O-N 3.29Å; A598-Y602 WeakPolarHBondContact O-CB 3.48Å; A598-Y602 PolarHBondContact O-N 3.2Å |
| 599 | L | 88.3 | Confident | 86.6 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.2 | -177.5 | 62.9 | 0 | 0 | 0 | 112.1 | L592 Q595 P596 V597 Y602 R603 L617 | L592-L599 HydrophobicContact CB-CB 4.49Å; L592-L599 HydrophobicContact CB-CD1 4.2Å; Q595-L599 PolarHBondContact O-N 3.15Å; Q595-L599 VanDerWaalsContact O-N 3.12Å; P596-L599 PolarHBondContact O-N 2.97Å; V597-L599 VanDerWaalsContact C-N 3.34Å; L599-Y602 PolarHBondContact O-N 3.42Å; L599-R603 WeakPolarHBondContact O-CG 3.5Å; L599-R603 PolarHBondContact O-N 2.83Å; L599-L617 HydrophobicContact CD1-CD2 4.26Å |
| 600 | S | 88.3 | Confident | 86.7 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 179.7 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | P596 V597 R603 Q604 | P596-S600 PolarHBondContact O-N 3.43Å; V597-S600 PolarHBondContact O-N 3.15Å; V597-S600 PolarHBondContact O-OG 3.39Å; S600-R603 PolarHBondContact O-N 2.6Å; S600-Q604 PolarHBondContact O-N 3.41Å; S600-Q604 VanDerWaalsContact O-N 3.08Å |
| 601 | L | 88.5 | Confident | 86.7 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 172.7 | -70.9 | 172 | 0 | 0 | 0 | 111.3 | T569 V572 Y573 V597 R603 Q604 F605 | T569-L601 HydrophobicContact CG2-CD1 4.3Å; T569-L601 HydrophobicContact CG2-CD2 4.16Å; V572-L601 HydrophobicContact CB-CD1 4.04Å; V572-L601 HydrophobicContact CG1-CD1 3.76Å; V572-L601 HydrophobicContact CG2-CD1 4.4Å; Y573-L601 HydrophobicContact CE1-CB 4.1Å; Y573-L601 WeakPolarHBondContact CE1-O 3.44Å; Y573-L601 PolarHBondContact OH-O 3.36Å; V597-L601 HydrophobicContact CG1-CD1 4.39Å; V597-L601 WeakPolarHBondContact O-CG 3.47Å; V597-L601 PolarHBondContact O-N 2.98Å; L601-R603 VanDerWaalsContact C-N 3.32Å; L601-R603 PolarHBondContact O-N 3.19Å; L601-Q604 WeakPolarHBondContact O-CB 3.49Å; L601-Q604 PolarHBondContact O-N 3.04Å; L601-Q604 VanDerWaalsContact O-N 3.13Å; L601-F605 PolarHBondContact O-N 3.33Å |
| 602 | Y | 88.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 175.9 | -173.9 | -114.5 | 0 | 0 | 0 | 112.6 | V576 F588 F589 L592 A598 L599 Q604 F605 C606 T613 L617 | V576-Y602 HydrophobicContact CG1-CD2 3.45Å; V576-Y602 VanDerWaalsContact CG1-CD2 3.45Å; V576-Y602 HydrophobicContact CG1-CE2 4.08Å; V576-Y602 HydrophobicContact CG1-CG 4.05Å; F588-Y602 HydrophobicContact CE1-CD1 4.37Å; F588-Y602 AromaticContact CE1-CE1 3.72Å; F588-Y602 HydrophobicContact CE1-CE1 3.72Å; F588-Y602 HydrophobicContact CE1-CE2 4.21Å; F588-Y602 AromaticContact CE1-CZ 3.63Å; F588-Y602 HydrophobicContact CZ-CD2 4.32Å; F588-Y602 HydrophobicContact CZ-CE1 4.16Å; F588-Y602 AromaticContact CZ-CE2 3.94Å; F588-Y602 HydrophobicContact CZ-CE2 3.94Å; F588-Y602 AromaticContact CZ-CZ 3.84Å; F589-Y602 HydrophobicContact CE1-CE1 4.05Å; L592-Y602 HydrophobicContact CD1-CD1 3.71Å; L592-Y602 HydrophobicContact CD1-CE1 4.25Å; L592-Y602 HydrophobicContact CD1-CG 3.97Å; A598-Y602 WeakPolarHBondContact O-CB 3.48Å; A598-Y602 PolarHBondContact O-N 3.2Å; L599-Y602 PolarHBondContact O-N 3.42Å; Y602-Q604 VanDerWaalsContact C-N 3.35Å; Y602-Q604 PolarHBondContact O-N 3.35Å; Y602-F605 HydrophobicContact CD2-CD1 4.39Å; Y602-F605 HydrophobicContact CE2-CD1 4.21Å; Y602-F605 WeakPolarHBondContact O-CB 3.33Å; Y602-F605 PolarHBondContact O-N 3.08Å; Y602-C606 VanDerWaalsContact CE1-SG 3.5Å; Y602-C606 PolarHBondContact O-N 3.1Å; Y602-C606 PolarHBondContact O-SG 3.04Å; Y602-T613 HydrophobicContact CE1-CG2 4.43Å; Y602-L617 HydrophobicContact CD1-CD1 3.94Å; Y602-L617 HydrophobicContact CE1-CD1 3.92Å |
| 603 | R | 87.4 | Confident | 86.6 | Confident | 61 Ų | 61 | 70 Ų | 70 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 172.7 | -73.8 | 174.1 | -179.2 | -172.7 | 2.3 | 111.7 | L599 S600 L601 C606 K607 L614 L617 D621 | L599-R603 WeakPolarHBondContact O-CG 3.5Å; L599-R603 PolarHBondContact O-N 2.83Å; S600-R603 PolarHBondContact O-N 2.6Å; L601-R603 VanDerWaalsContact C-N 3.32Å; L601-R603 PolarHBondContact O-N 3.19Å; R603-C606 PolarHBondContact O-N 3.34Å; R603-K607 WeakPolarHBondContact O-CG 3.43Å; R603-K607 PolarHBondContact O-N 3.16Å; R603-L614 HydrophobicContact CB-CD1 4.16Å; R603-L614 HydrophobicContact CG-CD1 4.25Å; R603-L617 HydrophobicContact CG-CD1 4.29Å; R603-D621 IonicContact CZ-OD2 3.16Å; R603-D621 IonicContact NH2-OD2 3.12Å; R603-D621 PolarHBondContact NH2-OD2 2.86Å |
| 604 | Q | 87.1 | Confident | 86.7 | Confident | 114 Ų | 114 | 62.4 Ų | 62.4 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 174.9 | -71.2 | -178.4 | -7.4 | 0 | 0 | 111.8 | S600 L601 Y602 C606 K607 | S600-Q604 PolarHBondContact O-N 3.41Å; S600-Q604 VanDerWaalsContact O-N 3.08Å; L601-Q604 WeakPolarHBondContact O-CB 3.49Å; L601-Q604 PolarHBondContact O-N 3.04Å; L601-Q604 VanDerWaalsContact O-N 3.13Å; Y602-Q604 VanDerWaalsContact C-N 3.35Å; Y602-Q604 PolarHBondContact O-N 3.35Å; Q604-C606 PolarHBondContact O-N 3.27Å; Q604-K607 WeakPolarHBondContact O-CB 3.05Å; Q604-K607 PolarHBondContact O-N 2.89Å |
| 605 | F | 87.6 | Confident | 86.6 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 31% | 0.311 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 173.6 | 174.7 | -93.2 | 0 | 0 | 0 | 111.9 | Y573 L601 Y602 K607 L608 Q609 | Y573-F605 HydrophobicContact CE1-CB 3.8Å; L601-F605 PolarHBondContact O-N 3.33Å; Y602-F605 HydrophobicContact CD2-CD1 4.39Å; Y602-F605 HydrophobicContact CE2-CD1 4.21Å; Y602-F605 WeakPolarHBondContact O-CB 3.33Å; Y602-F605 PolarHBondContact O-N 3.08Å; F605-K607 VanDerWaalsContact C-N 3.32Å; F605-K607 PolarHBondContact O-N 3.49Å; F605-L608 PolarHBondContact O-N 3Å; F605-L608 VanDerWaalsContact O-N 3.12Å; F605-Q609 HydrophobicContact CD2-CG 4.45Å; F605-Q609 HydrophobicContact CE1-CB 4.24Å; F605-Q609 HydrophobicContact CE2-CB 4.41Å; F605-Q609 HydrophobicContact CE2-CG 3.93Å; F605-Q609 HydrophobicContact CZ-CB 4.05Å; F605-Q609 HydrophobicContact CZ-CG 4.03Å; F605-Q609 PolarHBondContact O-N 2.96Å |
| 606 | C | 86.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 178.8 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | Y602 R603 Q604 L608 E610 L614 | Y602-C606 VanDerWaalsContact CE1-SG 3.5Å; Y602-C606 PolarHBondContact O-N 3.1Å; Y602-C606 PolarHBondContact O-SG 3.04Å; R603-C606 PolarHBondContact O-N 3.34Å; Q604-C606 PolarHBondContact O-N 3.27Å; C606-L608 PolarHBondContact O-N 3Å; C606-E610 CarbonylContact O-C 3.59Å; C606-E610 WeakPolarHBondContact O-CA 3.46Å; C606-E610 PolarHBondContact O-N 3.3Å; C606-L614 HydrophobicContact CB-CB 3.89Å; C606-L614 HydrophobicContact CB-CD1 4.16Å |
| 607 | K | 84.8 | Confident | 86.3 | Confident | 107 Ų | 107 | 55.6 Ų | 55.6 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.5 | -32.5 | 174.3 | -78.9 | 179.7 | 178.6 | -169.7 | 0 | 112.7 | R603 Q604 F605 L614 Y618 E626 | R603-K607 WeakPolarHBondContact O-CG 3.43Å; R603-K607 PolarHBondContact O-N 3.16Å; Q604-K607 WeakPolarHBondContact O-CB 3.05Å; Q604-K607 PolarHBondContact O-N 2.89Å; F605-K607 VanDerWaalsContact C-N 3.32Å; F605-K607 PolarHBondContact O-N 3.49Å; K607-L614 HydrophobicContact CB-CD2 4.32Å; K607-L614 HydrophobicContact CD-CD2 4.46Å; K607-L614 HydrophobicContact CG-CD1 4.36Å; K607-L614 HydrophobicContact CG-CD2 3.38Å; K607-Y618 WeakPolarHBondContact CE-OH 3.12Å; K607-Y618 PolarHBondContact NZ-OH 3.14Å; K607-E626 IonicContact NZ-OE2 2.71Å; K607-E626 PolarHBondContact NZ-OE2 3.49Å |
| 608 | L | 84.4 | Confident | 86.2 | Confident | 144 Ų | 144 | 52.2 Ų | 52.2 | 75% | 0.754 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -91 | -44.9 | -177.8 | -64.3 | 174.4 | 0 | 0 | 0 | 113.1 | F605 C606 | F605-L608 PolarHBondContact O-N 3Å; F605-L608 VanDerWaalsContact O-N 3.12Å; C606-L608 PolarHBondContact O-N 3Å |
| 609 | Q | 84.6 | Confident | 86 | Confident | 135 Ų | 135 | 55.5 Ų | 55.5 | 63% | 0.631 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -106.9 | -35.9 | -169.1 | -63.3 | -66.5 | -22.1 | 0 | 0 | 113.6 | F605 | F605-Q609 HydrophobicContact CD2-CG 4.45Å; F605-Q609 HydrophobicContact CE1-CB 4.24Å; F605-Q609 HydrophobicContact CE2-CB 4.41Å; F605-Q609 HydrophobicContact CE2-CG 3.93Å; F605-Q609 HydrophobicContact CZ-CB 4.05Å; F605-Q609 HydrophobicContact CZ-CG 4.03Å; F605-Q609 PolarHBondContact O-N 2.96Å |
| 610 | E | 86.6 | Confident | 85.6 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | trans | -134.2 | 73.5 | -167.4 | -66.5 | -170.6 | -178.4 | 0 | 0 | 113 | K580 C606 Q612 T613 L614 | K580-E610 IonicContact NZ-OE1 3.66Å; K580-E610 PolarHBondContact NZ-OE1 2.62Å; K580-E610 IonicContact NZ-OE2 3.7Å; K580-E610 PolarHBondContact NZ-OE2 3.39Å; C606-E610 CarbonylContact O-C 3.59Å; C606-E610 WeakPolarHBondContact O-CA 3.46Å; C606-E610 PolarHBondContact O-N 3.3Å; E610-Q612 VanDerWaalsContact C-N 3.29Å; E610-Q612 PolarHBondContact O-N 3.34Å; E610-T613 PolarHBondContact O-N 2.88Å; E610-T613 PolarHBondContact OE2-OG1 3.32Å; E610-T613 VanDerWaalsContact OE2-OG1 3.1Å; E610-L614 PolarHBondContact O-N 3.13Å | ||
| 611 | P | 83 | Confident | 85.2 | Confident | 38 Ų | 38 | 60 Ų | 60 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -28.6 | -175.3 | 25.3 | -34.3 | 0 | 0 | 0 | 113.6 | L614 K615 F630 | P611-L614 WeakPolarHBondContact O-CB 3.47Å; P611-L614 PolarHBondContact O-N 2.97Å; P611-K615 PolarHBondContact O-N 3.08Å; P611-K615 VanDerWaalsContact O-N 3.17Å; P611-F630 HydrophobicContact CB-CE2 3.89Å; P611-F630 HydrophobicContact CB-CZ 4.28Å; P611-F630 WeakPolarHBondContact O-CE2 3.02Å; P611-F630 WeakPolarHBondContact O-CZ 3.37Å |
| 612 | Q | 84.8 | Confident | 85 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -72.1 | -40.9 | 177.6 | -63.2 | -59.1 | -26.4 | 0 | 0 | 111.8 | E610 L614 K615 D616 | E610-Q612 VanDerWaalsContact C-N 3.29Å; E610-Q612 PolarHBondContact O-N 3.34Å; Q612-L614 PolarHBondContact O-N 3.19Å; Q612-K615 WeakPolarHBondContact O-CB 3.34Å; Q612-K615 PolarHBondContact O-N 3.17Å; Q612-K615 VanDerWaalsContact O-N 3.14Å; Q612-D616 PolarHBondContact O-N 3.42Å; Q612-D616 VanDerWaalsContact O-N 3.08Å |
| 613 | T | 84.8 | Confident | 84.9 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.9 | -36.2 | 173.8 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | F589 Y602 E610 D616 L617 | F589-T613 HydrophobicContact CZ-CG2 4.13Å; Y602-T613 HydrophobicContact CE1-CG2 4.43Å; E610-T613 PolarHBondContact O-N 2.88Å; E610-T613 PolarHBondContact OE2-OG1 3.32Å; E610-T613 VanDerWaalsContact OE2-OG1 3.1Å; T613-D616 PolarHBondContact O-N 3Å; T613-L617 WeakPolarHBondContact O-CG 3.13Å; T613-L617 PolarHBondContact O-N 2.98Å |
| 614 | L | 85.9 | Confident | 85 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 174.7 | -174.6 | 67.8 | 0 | 0 | 0 | 112.4 | R603 C606 K607 E610 P611 Q612 L617 Y618 F630 | R603-L614 HydrophobicContact CB-CD1 4.16Å; R603-L614 HydrophobicContact CG-CD1 4.25Å; C606-L614 HydrophobicContact CB-CB 3.89Å; C606-L614 HydrophobicContact CB-CD1 4.16Å; K607-L614 HydrophobicContact CB-CD2 4.32Å; K607-L614 HydrophobicContact CD-CD2 4.46Å; K607-L614 HydrophobicContact CG-CD1 4.36Å; K607-L614 HydrophobicContact CG-CD2 3.38Å; E610-L614 PolarHBondContact O-N 3.13Å; P611-L614 WeakPolarHBondContact O-CB 3.47Å; P611-L614 PolarHBondContact O-N 2.97Å; Q612-L614 PolarHBondContact O-N 3.19Å; L614-L617 WeakPolarHBondContact O-CB 3.39Å; L614-L617 PolarHBondContact O-N 2.73Å; L614-Y618 HydrophobicContact CD1-CD2 4.47Å; L614-Y618 HydrophobicContact CD1-CE1 4.17Å; L614-Y618 HydrophobicContact CD1-CE2 3.84Å; L614-Y618 HydrophobicContact CD2-CE2 3.71Å; L614-Y618 HydrophobicContact CG-CD2 3.98Å; L614-Y618 HydrophobicContact CG-CE2 3.43Å; L614-Y618 VanDerWaalsContact CG-CE2 3.43Å; L614-Y618 WeakPolarHBondContact O-CD2 3.36Å; L614-Y618 PolarHBondContact O-N 3.34Å; L614-F630 HydrophobicContact CD2-CD2 4.45Å |
| 615 | K | 85.2 | Confident | 85.2 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 21% | 0.213 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 175.1 | -178.1 | -171.5 | 176 | 177.8 | 0 | 111.4 | P611 Q612 L617 Y618 N619 L627 F630 Y631 | P611-K615 PolarHBondContact O-N 3.08Å; P611-K615 VanDerWaalsContact O-N 3.17Å; Q612-K615 WeakPolarHBondContact O-CB 3.34Å; Q612-K615 PolarHBondContact O-N 3.17Å; Q612-K615 VanDerWaalsContact O-N 3.14Å; K615-L617 VanDerWaalsContact C-N 3.28Å; K615-L617 PolarHBondContact O-N 2.74Å; K615-Y618 PolarHBondContact O-N 2.92Å; K615-N619 WeakPolarHBondContact O-CB 3.48Å; K615-N619 PolarHBondContact O-N 3.36Å; K615-N619 PolarHBondContact O-ND2 3.3Å; K615-L627 HydrophobicContact CG-CD2 4.11Å; K615-F630 HydrophobicContact CB-CD1 4.36Å; K615-F630 HydrophobicContact CB-CE1 3.99Å; K615-F630 HydrophobicContact CB-CE2 4.44Å; K615-F630 HydrophobicContact CB-CZ 4.03Å; K615-F630 HydrophobicContact CD-CE1 3.98Å; K615-F630 HydrophobicContact CG-CD1 4.35Å; K615-F630 HydrophobicContact CG-CE1 4.16Å; K615-Y631 WeakPolarHBondContact CE-OH 3.29Å; K615-Y631 PolarHBondContact NZ-OH 2.93Å |
| 616 | D | 84.7 | Confident | 85.2 | Confident | 62 Ų | 62 | 62.7 Ų | 62.7 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 176.6 | -67.8 | -15.9 | 0 | 0 | 0 | 111.4 | R585 Q612 T613 N619 Q620 | R585-D616 IonicContact NH2-OD2 2.92Å; R585-D616 PolarHBondContact NH2-OD2 3.49Å; R585-D616 VanDerWaalsContact NH2-OD2 3.15Å; Q612-D616 PolarHBondContact O-N 3.42Å; Q612-D616 VanDerWaalsContact O-N 3.08Å; T613-D616 PolarHBondContact O-N 3Å; D616-N619 PolarHBondContact O-N 3.46Å; D616-Q620 WeakPolarHBondContact O-CG 3.44Å; D616-Q620 PolarHBondContact O-N 3.29Å |
| 617 | L | 83.5 | Confident | 85.3 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 176.3 | -79.9 | 171.1 | 0 | 0 | 0 | 112.2 | F589 L599 Y602 R603 T613 L614 K615 N619 Q620 D621 | F589-L617 HydrophobicContact CD1-CD2 3.43Å; F589-L617 VanDerWaalsContact CD1-CD2 3.43Å; F589-L617 HydrophobicContact CD1-CG 4.43Å; F589-L617 HydrophobicContact CE1-CD1 4.34Å; F589-L617 HydrophobicContact CE1-CD2 3.32Å; F589-L617 HydrophobicContact CE1-CG 3.84Å; F589-L617 HydrophobicContact CG-CD2 4.34Å; F589-L617 HydrophobicContact CZ-CD2 4.14Å; F589-L617 HydrophobicContact CZ-CG 4.38Å; L599-L617 HydrophobicContact CD1-CD2 4.26Å; Y602-L617 HydrophobicContact CD1-CD1 3.94Å; Y602-L617 HydrophobicContact CE1-CD1 3.92Å; R603-L617 HydrophobicContact CG-CD1 4.29Å; T613-L617 WeakPolarHBondContact O-CG 3.13Å; T613-L617 PolarHBondContact O-N 2.98Å; L614-L617 WeakPolarHBondContact O-CB 3.39Å; L614-L617 PolarHBondContact O-N 2.73Å; K615-L617 VanDerWaalsContact C-N 3.28Å; K615-L617 PolarHBondContact O-N 2.74Å; L617-N619 VanDerWaalsContact C-N 3.27Å; L617-N619 PolarHBondContact O-N 3.18Å; L617-Q620 PolarHBondContact O-N 2.97Å; L617-Q620 VanDerWaalsContact O-N 3.15Å; L617-D621 PolarHBondContact O-N 3.25Å |
| 618 | Y | 85.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -34.2 | 179.1 | -61.9 | -45.1 | 0 | 0 | 0 | 112.5 | K607 L614 K615 D622 D623 E626 | K607-Y618 WeakPolarHBondContact CE-OH 3.12Å; K607-Y618 PolarHBondContact NZ-OH 3.14Å; L614-Y618 HydrophobicContact CD1-CD2 4.47Å; L614-Y618 HydrophobicContact CD1-CE1 4.17Å; L614-Y618 HydrophobicContact CD1-CE2 3.84Å; L614-Y618 HydrophobicContact CD2-CE2 3.71Å; L614-Y618 HydrophobicContact CG-CD2 3.98Å; L614-Y618 HydrophobicContact CG-CE2 3.43Å; L614-Y618 VanDerWaalsContact CG-CE2 3.43Å; L614-Y618 WeakPolarHBondContact O-CD2 3.36Å; L614-Y618 PolarHBondContact O-N 3.34Å; K615-Y618 PolarHBondContact O-N 2.92Å; Y618-D622 PolarHBondContact O-N 3.44Å; Y618-D623 HydrophobicContact CD1-CB 4.31Å; Y618-D623 PolarHBondContact O-N 3.06Å; Y618-E626 HydrophobicContact CD1-CB 3.74Å; Y618-E626 HydrophobicContact CD1-CG 4.47Å; Y618-E626 HydrophobicContact CD2-CB 4.06Å; Y618-E626 HydrophobicContact CE1-CB 3.51Å; Y618-E626 HydrophobicContact CE1-CG 3.91Å; Y618-E626 HydrophobicContact CE2-CB 3.85Å; Y618-E626 HydrophobicContact CG-CB 4Å; Y618-E626 PolarHBondContact OH-OE2 3.17Å |
| 619 | N | 85.1 | Confident | 85.9 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 172.5 | -80.1 | -29.1 | 0 | 0 | 0 | 112.7 | K615 D616 L617 L627 | K615-N619 WeakPolarHBondContact O-CB 3.48Å; K615-N619 PolarHBondContact O-N 3.36Å; K615-N619 PolarHBondContact O-ND2 3.3Å; D616-N619 PolarHBondContact O-N 3.46Å; L617-N619 VanDerWaalsContact C-N 3.27Å; L617-N619 PolarHBondContact O-N 3.18Å; N619-L627 WeakPolarHBondContact OD1-CD1 3.32Å; N619-L627 WeakPolarHBondContact OD1-CD2 3.5Å |
| 620 | Q | 80.9 | Confident | 86.1 | Confident | 113 Ų | 113 | 48.2 Ų | 48.2 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72.4 | -32.5 | 179.1 | -75.8 | -179.8 | -6.3 | 0 | 0 | 112.9 | D616 L617 D622 | D616-Q620 WeakPolarHBondContact O-CG 3.44Å; D616-Q620 PolarHBondContact O-N 3.29Å; L617-Q620 PolarHBondContact O-N 2.97Å; L617-Q620 VanDerWaalsContact O-N 3.15Å; Q620-D622 VanDerWaalsContact C-N 3.3Å |
| 621 | D | 79.7 | Confident | 86.3 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 31% | 0.31 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 1.7 | -179.7 | -69.3 | -35 | 0 | 0 | 0 | 113.2 | R603 L617 D623 | R603-D621 IonicContact CZ-OD2 3.16Å; R603-D621 IonicContact NH2-OD2 3.12Å; R603-D621 PolarHBondContact NH2-OD2 2.86Å; L617-D621 PolarHBondContact O-N 3.25Å; D621-D623 PolarHBondContact O-N 3.26Å |
| 622 | D | 84 | Confident | 86.7 | Confident | 116 Ų | 116 | 46.4 Ų | 46.4 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 32.4 | -171.9 | -70.9 | -34.1 | 0 | 0 | 0 | 113.1 | Y618 Q620 H624 | Y618-D622 PolarHBondContact O-N 3.44Å; Q620-D622 VanDerWaalsContact C-N 3.3Å; D622-H624 PolarHBondContact O-CD2 3.11Å; D622-H624 PolarHBondContact O-N 3.33Å |
| 623 | D | 86.5 | Confident | 86.9 | Confident | 47 Ų | 47 | 44.3 Ų | 44.3 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | trans | -83.3 | 70.9 | 177.8 | -164.2 | -21.4 | 0 | 0 | 0 | 110.2 | Y618 D621 Q625 E626 L627 | Y618-D623 HydrophobicContact CD1-CB 4.31Å; Y618-D623 PolarHBondContact O-N 3.06Å; D621-D623 PolarHBondContact O-N 3.26Å; D623-Q625 PolarHBondContact O-N 3.23Å; D623-E626 PolarHBondContact O-N 3.04Å; D623-E626 PolarHBondContact OD1-N 3.23Å; D623-E626 VanDerWaalsContact OD1-N 3.17Å; D623-L627 PolarHBondContact O-N 3.3Å | ||
| 624 | H | 89.8 | Confident | 87 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 22% | 0.218 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -27.1 | -178.3 | -63.4 | -60.3 | 0 | 0 | 0 | 113.2 | D622 G628 E654 K657 A658 | D622-H624 PolarHBondContact O-CD2 3.11Å; D622-H624 PolarHBondContact O-N 3.33Å; H624-G628 PolarHBondContact O-N 2.95Å; H624-E654 WeakPolarHBondContact CB-O 3.47Å; H624-E654 IonicContact CE1-OE2 3.54Å; H624-E654 IonicContact CG-OE2 3.95Å; H624-E654 IonicContact ND1-OE2 2.78Å; H624-E654 PolarHBondContact ND1-OE2 3Å; H624-K657 HydrophobicContact CB-CB 4.08Å; H624-A658 HydrophobicContact CB-CB 3.74Å |
| 625 | Q | 91.2 | Very high | 87.2 | Confident | 72 Ų | 72 | 44.5 Ų | 44.5 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.2 | -50.8 | 176.9 | 178 | 77 | -9.3 | 0 | 0 | 110.6 | D623 G628 N629 A658 N660 | D623-Q625 PolarHBondContact O-N 3.23Å; Q625-G628 PolarHBondContact O-N 3.32Å; Q625-N629 PolarHBondContact O-N 3.38Å; Q625-N629 VanDerWaalsContact O-N 3.14Å; Q625-A658 HydrophobicContact CB-CB 4.21Å; Q625-N660 VanDerWaalsContact CD-ND2 3.31Å; Q625-N660 PolarHBondContact NE2-ND2 3.21Å; Q625-N660 PolarHBondContact OE1-ND2 3.38Å |
| 626 | E | 87.4 | Confident | 87.3 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 23% | 0.229 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72 | -29.6 | 179.4 | -72.6 | -70.3 | 104.4 | 0 | 0 | 112.6 | K607 Y618 D623 N629 F630 | K607-E626 IonicContact NZ-OE2 2.71Å; K607-E626 PolarHBondContact NZ-OE2 3.49Å; Y618-E626 HydrophobicContact CD1-CB 3.74Å; Y618-E626 HydrophobicContact CD1-CG 4.47Å; Y618-E626 HydrophobicContact CD2-CB 4.06Å; Y618-E626 HydrophobicContact CE1-CB 3.51Å; Y618-E626 HydrophobicContact CE1-CG 3.91Å; Y618-E626 HydrophobicContact CE2-CB 3.85Å; Y618-E626 HydrophobicContact CG-CB 4Å; Y618-E626 PolarHBondContact OH-OE2 3.17Å; D623-E626 PolarHBondContact O-N 3.04Å; D623-E626 PolarHBondContact OD1-N 3.23Å; D623-E626 VanDerWaalsContact OD1-N 3.17Å; E626-N629 PolarHBondContact O-N 3.03Å; E626-N629 PolarHBondContact OE1-ND2 3.38Å; E626-F630 WeakPolarHBondContact O-CB 3.44Å; E626-F630 PolarHBondContact O-N 2.79Å |
| 627 | L | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 169.3 | -76.6 | 168.5 | 0 | 0 | 0 | 112 | K615 N619 D623 N629 F630 Y631 E654 | K615-L627 HydrophobicContact CG-CD2 4.11Å; N619-L627 WeakPolarHBondContact OD1-CD1 3.32Å; N619-L627 WeakPolarHBondContact OD1-CD2 3.5Å; D623-L627 PolarHBondContact O-N 3.3Å; L627-N629 VanDerWaalsContact C-N 3.35Å; L627-N629 PolarHBondContact O-N 3.12Å; L627-F630 WeakPolarHBondContact O-CB 3.46Å; L627-F630 PolarHBondContact O-N 2.96Å; L627-Y631 WeakPolarHBondContact O-CD2 3.14Å; L627-Y631 PolarHBondContact O-N 3.19Å; L627-E654 HydrophobicContact CB-CB 4.18Å; L627-E654 HydrophobicContact CB-CG 4Å |
| 628 | G | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.1 | -48 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H624 Q625 F630 Y631 V632 Y655 | H624-G628 PolarHBondContact O-N 2.95Å; Q625-G628 PolarHBondContact O-N 3.32Å; G628-F630 VanDerWaalsContact C-N 3.3Å; G628-F630 PolarHBondContact O-N 3.14Å; G628-Y631 PolarHBondContact O-N 3.05Å; G628-V632 WeakPolarHBondContact O-CG2 3.48Å; G628-V632 PolarHBondContact O-N 3.3Å; G628-Y655 PolarHBondContact O-OH 3.05Å |
| 629 | N | 90.7 | Very high | 87.1 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 177.4 | -71.8 | -28.2 | 0 | 0 | 0 | 112.1 | Q625 E626 L627 T633 Y655 | Q625-N629 PolarHBondContact O-N 3.38Å; Q625-N629 VanDerWaalsContact O-N 3.14Å; E626-N629 PolarHBondContact O-N 3.03Å; E626-N629 PolarHBondContact OE1-ND2 3.38Å; L627-N629 VanDerWaalsContact C-N 3.35Å; L627-N629 PolarHBondContact O-N 3.12Å; N629-T633 WeakPolarHBondContact O-CB 3.42Å; N629-T633 PolarHBondContact O-N 3.38Å; N629-T633 PolarHBondContact O-OG1 3.17Å; N629-Y655 WeakPolarHBondContact CA-OH 3.07Å; N629-Y655 PolarHBondContact N-OH 3.34Å; N629-Y655 VanDerWaalsContact N-OH 3.1Å; N629-Y655 PolarHBondContact OD1-OH 3.23Å |
| 630 | F | 89.5 | Confident | 87.2 | Confident | 23 Ų | 23 | 72.1 Ų | 72.1 | 10% | 0.101 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 177.3 | 177.4 | -89.7 | 0 | 0 | 0 | 111.8 | P611 L614 K615 E626 L627 G628 T633 S634 | P611-F630 HydrophobicContact CB-CE2 3.89Å; P611-F630 HydrophobicContact CB-CZ 4.28Å; P611-F630 WeakPolarHBondContact O-CE2 3.02Å; P611-F630 WeakPolarHBondContact O-CZ 3.37Å; L614-F630 HydrophobicContact CD2-CD2 4.45Å; K615-F630 HydrophobicContact CB-CD1 4.36Å; K615-F630 HydrophobicContact CB-CE1 3.99Å; K615-F630 HydrophobicContact CB-CE2 4.44Å; K615-F630 HydrophobicContact CB-CZ 4.03Å; K615-F630 HydrophobicContact CD-CE1 3.98Å; K615-F630 HydrophobicContact CG-CD1 4.35Å; K615-F630 HydrophobicContact CG-CE1 4.16Å; E626-F630 WeakPolarHBondContact O-CB 3.44Å; E626-F630 PolarHBondContact O-N 2.79Å; L627-F630 WeakPolarHBondContact O-CB 3.46Å; L627-F630 PolarHBondContact O-N 2.96Å; G628-F630 VanDerWaalsContact C-N 3.3Å; G628-F630 PolarHBondContact O-N 3.14Å; F630-T633 PolarHBondContact O-N 3.37Å; F630-S634 WeakPolarHBondContact CE1-OG 3.03Å; F630-S634 VanDerWaalsContact O-CB 3.29Å; F630-S634 WeakPolarHBondContact O-CB 3.42Å; F630-S634 PolarHBondContact O-N 3.36Å; F630-S634 PolarHBondContact O-OG 3.14Å |
| 631 | Y | 91 | Very high | 87.4 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 10% | 0.102 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 178.6 | -77.5 | -55.8 | 0 | 0 | 0 | 112.1 | K615 L627 G628 S634 S635 E654 | K615-Y631 WeakPolarHBondContact CE-OH 3.29Å; K615-Y631 PolarHBondContact NZ-OH 2.93Å; L627-Y631 WeakPolarHBondContact O-CD2 3.14Å; L627-Y631 PolarHBondContact O-N 3.19Å; G628-Y631 PolarHBondContact O-N 3.05Å; Y631-S634 PolarHBondContact O-N 3.42Å; Y631-S635 WeakPolarHBondContact O-CB 3.41Å; Y631-S635 PolarHBondContact O-N 2.95Å; Y631-E654 HydrophobicContact CD2-CG 4.07Å; Y631-E654 HydrophobicContact CE2-CG 3.85Å |
| 632 | V | 91.2 | Very high | 87.7 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 172.8 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | G628 S634 S635 Y636 L648 A651 Y655 T667 | G628-V632 WeakPolarHBondContact O-CG2 3.48Å; G628-V632 PolarHBondContact O-N 3.3Å; V632-S634 VanDerWaalsContact C-N 3.32Å; V632-S634 PolarHBondContact O-N 2.99Å; V632-S635 VanDerWaalsContact O-CB 3.3Å; V632-S635 WeakPolarHBondContact O-CB 3.44Å; V632-S635 PolarHBondContact O-N 3.04Å; V632-S635 VanDerWaalsContact O-N 3.17Å; V632-S635 PolarHBondContact O-OG 3.26Å; V632-Y636 HydrophobicContact CG1-CE2 3.97Å; V632-Y636 WeakPolarHBondContact O-CD2 3.48Å; V632-L648 HydrophobicContact CG2-CD2 4.29Å; V632-A651 HydrophobicContact CG2-CB 3.78Å; V632-Y655 HydrophobicContact CG2-CE2 3.93Å; V632-T667 HydrophobicContact CG2-CG2 4.36Å |
| 633 | T | 89.1 | Confident | 87.9 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 180 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | N629 F630 S635 Y636 | N629-T633 WeakPolarHBondContact O-CB 3.42Å; N629-T633 PolarHBondContact O-N 3.38Å; N629-T633 PolarHBondContact O-OG1 3.17Å; F630-T633 PolarHBondContact O-N 3.37Å; T633-S635 VanDerWaalsContact C-N 3.29Å; T633-S635 PolarHBondContact O-N 2.88Å; T633-Y636 PolarHBondContact O-N 2.86Å |
| 634 | S | 87.4 | Confident | 88.1 | Confident | 23 Ų | 23 | 68 Ų | 68 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -32.5 | 177.5 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | F630 Y631 V632 Y636 R637 D638 | F630-S634 WeakPolarHBondContact CE1-OG 3.03Å; F630-S634 VanDerWaalsContact O-CB 3.29Å; F630-S634 WeakPolarHBondContact O-CB 3.42Å; F630-S634 PolarHBondContact O-N 3.36Å; F630-S634 PolarHBondContact O-OG 3.14Å; Y631-S634 PolarHBondContact O-N 3.42Å; V632-S634 VanDerWaalsContact C-N 3.32Å; V632-S634 PolarHBondContact O-N 2.99Å; S634-Y636 VanDerWaalsContact C-N 3.26Å; S634-Y636 PolarHBondContact O-N 2.82Å; S634-R637 WeakPolarHBondContact O-CB 3.44Å; S634-R637 PolarHBondContact O-N 3.11Å; S634-D638 PolarHBondContact O-N 3.31Å |
| 635 | S | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -33.9 | 178.2 | 87.9 | 0 | 0 | 0 | 0 | 112.8 | Y631 V632 T633 R637 D638 R644 L648 | Y631-S635 WeakPolarHBondContact O-CB 3.41Å; Y631-S635 PolarHBondContact O-N 2.95Å; V632-S635 VanDerWaalsContact O-CB 3.3Å; V632-S635 WeakPolarHBondContact O-CB 3.44Å; V632-S635 PolarHBondContact O-N 3.04Å; V632-S635 VanDerWaalsContact O-N 3.17Å; V632-S635 PolarHBondContact O-OG 3.26Å; T633-S635 VanDerWaalsContact C-N 3.29Å; T633-S635 PolarHBondContact O-N 2.88Å; S635-R637 VanDerWaalsContact C-N 3.28Å; S635-R637 PolarHBondContact O-N 3.33Å; S635-D638 PolarHBondContact O-N 3.14Å; S635-R644 WeakPolarHBondContact O-CD 3.34Å; S635-R644 VanDerWaalsContact O-CG 3.3Å; S635-R644 WeakPolarHBondContact O-CG 3.44Å; S635-L648 WeakPolarHBondContact OG-CD2 3.44Å |
| 636 | Y | 86.9 | Confident | 88.1 | Confident | 137 Ų | 137 | 66.1 Ų | 66.1 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -13.7 | 177.5 | -70.1 | -81.5 | 0 | 0 | 0 | 113.6 | V632 T633 S634 | V632-Y636 HydrophobicContact CG1-CE2 3.97Å; V632-Y636 WeakPolarHBondContact O-CD2 3.48Å; T633-Y636 PolarHBondContact O-N 2.86Å; S634-Y636 VanDerWaalsContact C-N 3.26Å; S634-Y636 PolarHBondContact O-N 2.82Å |
| 637 | R | 84.8 | Confident | 88.3 | Confident | 169 Ų | 169 | 66.8 Ų | 66.8 | 64% | 0.638 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -20.9 | 174.2 | -61.3 | -178.8 | 179.5 | -177.4 | -1.1 | 112.1 | S634 S635 | S634-R637 WeakPolarHBondContact O-CB 3.44Å; S634-R637 PolarHBondContact O-N 3.11Å; S635-R637 VanDerWaalsContact C-N 3.28Å; S635-R637 PolarHBondContact O-N 3.33Å |
| 638 | D | 85 | Confident | 88.5 | Confident | 59 Ų | 59 | 67 Ų | 67 | 32% | 0.316 | 32% | 0.317 | S | S | . | . | trans | -77.7 | 127.7 | 177.2 | -158.8 | -26.4 | 0 | 0 | 0 | 110.7 | S634 S635 R640 G643 | S634-D638 PolarHBondContact O-N 3.31Å; S635-D638 PolarHBondContact O-N 3.14Å; D638-R640 VanDerWaalsContact C-N 3.34Å; D638-R640 PolarHBondContact OD1-N 3.25Å; D638-G643 VanDerWaalsContact OD2-CA 3.25Å; D638-G643 WeakPolarHBondContact OD2-CA 3.4Å | ||
| 639 | K | 80.4 | Confident | 88.7 | Confident | 210 Ų | 210 | 70.7 Ų | 70.7 | 91% | 0.913 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -79.4 | -19.8 | 179 | -64.4 | -176.4 | 179.3 | -179.3 | 0 | 112.2 | ||
| 640 | R | 85.8 | Confident | 88.8 | Confident | 195 Ų | 195 | 69.7 Ų | 69.7 | 74% | 0.736 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -96.9 | 135.8 | -178.4 | -57.1 | -174.5 | -155 | 176.5 | 7.1 | 110.1 | D638 E642 G643 R644 | D638-R640 VanDerWaalsContact C-N 3.34Å; D638-R640 PolarHBondContact OD1-N 3.25Å; R640-E642 PolarHBondContact O-N 3.1Å; R640-G643 PolarHBondContact O-N 2.91Å; R640-R644 WeakPolarHBondContact O-CB 3.32Å; R640-R644 PolarHBondContact O-N 2.87Å |
| 641 | L | 85.3 | Confident | 89 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 178.9 | 179 | 63.6 | 0 | 0 | 0 | 112.5 | G643 R644 L645 L674 R678 L689 | L641-G643 VanDerWaalsContact C-N 3.34Å; L641-G643 PolarHBondContact O-N 3.37Å; L641-R644 PolarHBondContact O-N 3.48Å; L641-L645 HydrophobicContact CD1-CD1 4.26Å; L641-L645 HydrophobicContact CD1-CG 4.08Å; L641-L645 HydrophobicContact CG-CD1 4.03Å; L641-L645 HydrophobicContact CG-CG 4.28Å; L641-L645 WeakPolarHBondContact O-CB 3.48Å; L641-L645 WeakPolarHBondContact O-CG 3.32Å; L641-L645 PolarHBondContact O-N 3.31Å; L641-L674 HydrophobicContact CD1-CB 4.02Å; L641-L674 HydrophobicContact CD1-CD1 4.47Å; L641-R678 HydrophobicContact CD2-CB 3.44Å; L641-R678 VanDerWaalsContact CD2-CB 3.44Å; L641-R678 HydrophobicContact CD2-CG 3.43Å; L641-R678 VanDerWaalsContact CD2-CG 3.43Å; L641-L689 HydrophobicContact CD1-CD1 4.29Å; L641-L689 HydrophobicContact CD2-CD1 4.24Å |
| 642 | E | 87.2 | Confident | 89.1 | Confident | 166 Ų | 166 | 67.5 Ų | 67.5 | 78% | 0.776 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 179.9 | -66.5 | 177.1 | 170.8 | 0 | 0 | 111.7 | R640 L645 A646 | R640-E642 PolarHBondContact O-N 3.1Å; E642-L645 PolarHBondContact O-N 2.83Å; E642-A646 PolarHBondContact O-N 2.93Å |
| 643 | G | 87.4 | Confident | 89.2 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D638 R640 L641 L645 A646 Q647 | D638-G643 VanDerWaalsContact OD2-CA 3.25Å; D638-G643 WeakPolarHBondContact OD2-CA 3.4Å; R640-G643 PolarHBondContact O-N 2.91Å; L641-G643 VanDerWaalsContact C-N 3.34Å; L641-G643 PolarHBondContact O-N 3.37Å; G643-L645 PolarHBondContact O-N 3.45Å; G643-A646 PolarHBondContact O-N 3.12Å; G643-Q647 WeakPolarHBondContact O-CG 3.45Å; G643-Q647 PolarHBondContact O-N 3.03Å |
| 644 | R | 90 | Very high | 89.3 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -45 | 173.2 | -178.7 | 166 | 178.7 | -159.5 | -12.9 | 112.4 | S635 R640 L641 Q647 L648 E670 L674 | S635-R644 WeakPolarHBondContact O-CD 3.34Å; S635-R644 VanDerWaalsContact O-CG 3.3Å; S635-R644 WeakPolarHBondContact O-CG 3.44Å; R640-R644 WeakPolarHBondContact O-CB 3.32Å; R640-R644 PolarHBondContact O-N 2.87Å; L641-R644 PolarHBondContact O-N 3.48Å; R644-Q647 PolarHBondContact O-N 3.22Å; R644-L648 HydrophobicContact CG-CD1 4.16Å; R644-L648 VanDerWaalsContact O-CG 3.32Å; R644-L648 WeakPolarHBondContact O-CG 3.25Å; R644-L648 PolarHBondContact O-N 3.43Å; R644-E670 IonicContact NH2-OE1 3.63Å; R644-E670 PolarHBondContact NH2-OE1 2.86Å; R644-L674 HydrophobicContact CG-CD1 4.48Å |
| 645 | L | 90.6 | Very high | 89.6 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 177.6 | -72 | 174.6 | 0 | 0 | 0 | 112.4 | L641 E642 G643 L648 Q649 M671 L674 R675 | L641-L645 HydrophobicContact CD1-CD1 4.26Å; L641-L645 HydrophobicContact CD1-CG 4.08Å; L641-L645 HydrophobicContact CG-CD1 4.03Å; L641-L645 HydrophobicContact CG-CG 4.28Å; L641-L645 WeakPolarHBondContact O-CB 3.48Å; L641-L645 WeakPolarHBondContact O-CG 3.32Å; L641-L645 PolarHBondContact O-N 3.31Å; E642-L645 PolarHBondContact O-N 2.83Å; G643-L645 PolarHBondContact O-N 3.45Å; L645-L648 PolarHBondContact O-N 2.87Å; L645-Q649 WeakPolarHBondContact O-CB 3.47Å; L645-Q649 PolarHBondContact O-N 3.46Å; L645-M671 HydrophobicContact CD2-CB 3.92Å; L645-M671 HydrophobicContact CD2-CE 4.36Å; L645-M671 HydrophobicContact CD2-CG 3.94Å; L645-L674 HydrophobicContact CD2-CB 4.42Å; L645-L674 HydrophobicContact CD2-CD1 4.46Å; L645-R675 HydrophobicContact CD1-CG 3.98Å; L645-R675 HydrophobicContact CD2-CG 4.43Å |
| 646 | A | 92 | Very high | 89.6 | Confident | 54 Ų | 54 | 69.6 Ų | 69.6 | 45% | 0.446 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E642 G643 Q649 S650 | E642-A646 PolarHBondContact O-N 2.93Å; G643-A646 PolarHBondContact O-N 3.12Å; A646-Q649 PolarHBondContact O-N 3.41Å; A646-S650 PolarHBondContact O-N 3.22Å; A646-S650 PolarHBondContact O-OG 3.47Å |
| 647 | Q | 91.6 | Very high | 89.8 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.1 | -63.8 | -66 | -40 | 0 | 0 | 111.3 | G643 R644 Q649 S650 A651 | G643-Q647 WeakPolarHBondContact O-CG 3.45Å; G643-Q647 PolarHBondContact O-N 3.03Å; R644-Q647 PolarHBondContact O-N 3.22Å; Q647-Q649 VanDerWaalsContact C-N 3.33Å; Q647-Q649 PolarHBondContact O-N 2.98Å; Q647-S650 WeakPolarHBondContact O-CB 3.35Å; Q647-S650 PolarHBondContact O-N 3.42Å; Q647-A651 PolarHBondContact O-N 3.03Å |
| 648 | L | 92.4 | Very high | 90 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 176 | -68.7 | 170.2 | 0 | 0 | 0 | 112.3 | V632 S635 R644 L645 S650 A651 V652 T667 E670 M671 L674 | V632-L648 HydrophobicContact CG2-CD2 4.29Å; S635-L648 WeakPolarHBondContact OG-CD2 3.44Å; R644-L648 HydrophobicContact CG-CD1 4.16Å; R644-L648 VanDerWaalsContact O-CG 3.32Å; R644-L648 WeakPolarHBondContact O-CG 3.25Å; R644-L648 PolarHBondContact O-N 3.43Å; L645-L648 PolarHBondContact O-N 2.87Å; L648-S650 VanDerWaalsContact C-N 3.34Å; L648-A651 WeakPolarHBondContact O-CB 3.2Å; L648-A651 PolarHBondContact O-N 3.3Å; L648-V652 WeakPolarHBondContact O-CG2 3.5Å; L648-V652 PolarHBondContact O-N 3.15Å; L648-T667 HydrophobicContact CB-CG2 4.02Å; L648-T667 HydrophobicContact CD2-CG2 3.78Å; L648-T667 HydrophobicContact CG-CG2 4.48Å; L648-E670 HydrophobicContact CD1-CG 4.33Å; L648-M671 HydrophobicContact CB-CG 3.55Å; L648-M671 HydrophobicContact CB-SD 3.67Å; L648-M671 HydrophobicContact CD1-CG 3.8Å; L648-M671 HydrophobicContact CG-CG 4.3Å; L648-L674 HydrophobicContact CD1-CD1 3.8Å |
| 649 | Q | 94 | Very high | 90.3 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 173.2 | -174.9 | 59.9 | 59.1 | 0 | 0 | 111.2 | L645 A646 Q647 A651 V652 D653 M671 | L645-Q649 WeakPolarHBondContact O-CB 3.47Å; L645-Q649 PolarHBondContact O-N 3.46Å; A646-Q649 PolarHBondContact O-N 3.41Å; Q647-Q649 VanDerWaalsContact C-N 3.33Å; Q647-Q649 PolarHBondContact O-N 2.98Å; Q649-A651 PolarHBondContact O-N 3.39Å; Q649-V652 WeakPolarHBondContact O-CB 3.44Å; Q649-V652 PolarHBondContact O-N 2.98Å; Q649-V652 VanDerWaalsContact O-N 3.15Å; Q649-D653 PolarHBondContact NE2-OD1 3.01Å; Q649-D653 VanDerWaalsContact NE2-OD1 3.12Å; Q649-D653 VanDerWaalsContact O-CG 3.3Å; Q649-D653 PolarHBondContact O-N 2.93Å; Q649-M671 HydrophobicContact CB-CE 3.97Å |
| 650 | S | 92.7 | Very high | 90.8 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 174.7 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | A646 Q647 L648 D653 E654 | A646-S650 PolarHBondContact O-N 3.22Å; A646-S650 PolarHBondContact O-OG 3.47Å; Q647-S650 WeakPolarHBondContact O-CB 3.35Å; Q647-S650 PolarHBondContact O-N 3.42Å; L648-S650 VanDerWaalsContact C-N 3.34Å; S650-D653 PolarHBondContact O-N 3.17Å; S650-E654 WeakPolarHBondContact O-CG 3.48Å; S650-E654 PolarHBondContact O-N 3.44Å; S650-E654 VanDerWaalsContact O-N 3.14Å |
| 651 | A | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V632 Q647 L648 Q649 E654 Y655 T667 | V632-A651 HydrophobicContact CG2-CB 3.78Å; Q647-A651 PolarHBondContact O-N 3.03Å; L648-A651 WeakPolarHBondContact O-CB 3.2Å; L648-A651 PolarHBondContact O-N 3.3Å; Q649-A651 PolarHBondContact O-N 3.39Å; A651-E654 PolarHBondContact O-N 2.65Å; A651-Y655 HydrophobicContact CB-CD2 4.4Å; A651-Y655 HydrophobicContact CB-CE2 4.06Å; A651-Y655 WeakPolarHBondContact O-CD2 3.3Å; A651-Y655 PolarHBondContact O-N 3.35Å; A651-T667 HydrophobicContact CB-CG2 4.23Å |
| 652 | V | 92.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L648 Q649 E654 Y655 N656 T667 E668 M671 | L648-V652 WeakPolarHBondContact O-CG2 3.5Å; L648-V652 PolarHBondContact O-N 3.15Å; Q649-V652 WeakPolarHBondContact O-CB 3.44Å; Q649-V652 PolarHBondContact O-N 2.98Å; Q649-V652 VanDerWaalsContact O-N 3.15Å; V652-E654 VanDerWaalsContact C-N 3.29Å; V652-E654 PolarHBondContact O-N 3.4Å; V652-Y655 PolarHBondContact O-N 3.36Å; V652-N656 WeakPolarHBondContact CG1-ND2 3.48Å; V652-N656 WeakPolarHBondContact O-CB 3.32Å; V652-N656 VanDerWaalsContact O-CG 3.28Å; V652-N656 PolarHBondContact O-N 3.17Å; V652-N656 PolarHBondContact O-ND2 2.98Å; V652-N656 VanDerWaalsContact O-ND2 3.14Å; V652-T667 HydrophobicContact CG2-CG2 3.7Å; V652-E668 HydrophobicContact CG1-CG 4.11Å; V652-E668 HydrophobicContact CG2-CG 3.89Å; V652-M671 HydrophobicContact CG2-SD 4.3Å |
| 653 | D | 93.4 | Very high | 91.5 | Very high | 73 Ų | 73 | 56 Ų | 56 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | -180 | -61.2 | -17.3 | 0 | 0 | 0 | 111.2 | Q649 S650 K657 | Q649-D653 PolarHBondContact NE2-OD1 3.01Å; Q649-D653 VanDerWaalsContact NE2-OD1 3.12Å; Q649-D653 VanDerWaalsContact O-CG 3.3Å; Q649-D653 PolarHBondContact O-N 2.93Å; S650-D653 PolarHBondContact O-N 3.17Å; D653-K657 WeakPolarHBondContact O-CG 3.32Å; D653-K657 PolarHBondContact O-N 2.92Å |
| 654 | E | 92.1 | Very high | 91.7 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.4 | -42.4 | 175.9 | -64.3 | -55.1 | 138.1 | 0 | 0 | 112.9 | H624 L627 Y631 S650 A651 V652 N656 K657 A658 | H624-E654 WeakPolarHBondContact CB-O 3.47Å; H624-E654 IonicContact CE1-OE2 3.54Å; H624-E654 IonicContact CG-OE2 3.95Å; H624-E654 IonicContact ND1-OE2 2.78Å; H624-E654 PolarHBondContact ND1-OE2 3Å; L627-E654 HydrophobicContact CB-CB 4.18Å; L627-E654 HydrophobicContact CB-CG 4Å; Y631-E654 HydrophobicContact CD2-CG 4.07Å; Y631-E654 HydrophobicContact CE2-CG 3.85Å; S650-E654 WeakPolarHBondContact O-CG 3.48Å; S650-E654 PolarHBondContact O-N 3.44Å; S650-E654 VanDerWaalsContact O-N 3.14Å; A651-E654 PolarHBondContact O-N 2.65Å; V652-E654 VanDerWaalsContact C-N 3.29Å; V652-E654 PolarHBondContact O-N 3.4Å; E654-N656 VanDerWaalsContact C-N 3.25Å; E654-N656 PolarHBondContact O-N 3.46Å; E654-K657 WeakPolarHBondContact O-CB 3.45Å; E654-K657 PolarHBondContact O-N 2.69Å; E654-K657 VanDerWaalsContact O-N 3.11Å; E654-K657 IonicContact OE1-NZ 3.74Å; E654-K657 PolarHBondContact OE1-NZ 2.89Å; E654-K657 IonicContact OE2-NZ 3.86Å; E654-A658 WeakPolarHBondContact O-CB 3.42Å; E654-A658 PolarHBondContact O-N 3Å |
| 655 | Y | 92.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 59 Ų | 59 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 175.4 | -70.2 | -49.8 | 0 | 0 | 0 | 112.8 | G628 N629 V632 A651 V652 A658 K659 N660 A663 T667 | G628-Y655 PolarHBondContact O-OH 3.05Å; N629-Y655 WeakPolarHBondContact CA-OH 3.07Å; N629-Y655 PolarHBondContact N-OH 3.34Å; N629-Y655 VanDerWaalsContact N-OH 3.1Å; N629-Y655 PolarHBondContact OD1-OH 3.23Å; V632-Y655 HydrophobicContact CG2-CE2 3.93Å; A651-Y655 HydrophobicContact CB-CD2 4.4Å; A651-Y655 HydrophobicContact CB-CE2 4.06Å; A651-Y655 WeakPolarHBondContact O-CD2 3.3Å; A651-Y655 PolarHBondContact O-N 3.35Å; V652-Y655 PolarHBondContact O-N 3.36Å; Y655-A658 CarbonylContact O-C 3.57Å; Y655-A658 WeakPolarHBondContact O-CB 3.35Å; Y655-A658 PolarHBondContact O-N 2.89Å; Y655-K659 PolarHBondContact O-N 3.37Å; Y655-N660 PolarHBondContact O-N 3.4Å; Y655-A663 HydrophobicContact CD1-CB 3.73Å; Y655-A663 HydrophobicContact CD2-CB 3.91Å; Y655-A663 HydrophobicContact CE1-CB 3.79Å; Y655-A663 HydrophobicContact CE2-CB 3.97Å; Y655-A663 HydrophobicContact CG-CB 3.79Å; Y655-T667 WeakPolarHBondContact CE2-OG1 3.38Å |
| 656 | N | 91.4 | Very high | 91.9 | Very high | 80 Ų | 80 | 59.6 Ų | 59.6 | 43% | 0.428 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 173.3 | -76.2 | -33.8 | 0 | 0 | 0 | 111.4 | V652 E654 A658 K659 | V652-N656 WeakPolarHBondContact CG1-ND2 3.48Å; V652-N656 WeakPolarHBondContact O-CB 3.32Å; V652-N656 VanDerWaalsContact O-CG 3.28Å; V652-N656 PolarHBondContact O-N 3.17Å; V652-N656 PolarHBondContact O-ND2 2.98Å; V652-N656 VanDerWaalsContact O-ND2 3.14Å; E654-N656 VanDerWaalsContact C-N 3.25Å; E654-N656 PolarHBondContact O-N 3.46Å; N656-A658 VanDerWaalsContact C-N 3.27Å; N656-A658 PolarHBondContact O-N 3.11Å; N656-K659 PolarHBondContact O-N 3.05Å; N656-K659 VanDerWaalsContact O-N 3.11Å |
| 657 | K | 91.1 | Very high | 91.9 | Very high | 118 Ų | 118 | 57.6 Ų | 57.6 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 171.6 | -66.5 | 171 | -168.7 | 170.8 | 0 | 111.7 | H624 D653 E654 K659 | H624-K657 HydrophobicContact CB-CB 4.08Å; D653-K657 WeakPolarHBondContact O-CG 3.32Å; D653-K657 PolarHBondContact O-N 2.92Å; E654-K657 WeakPolarHBondContact O-CB 3.45Å; E654-K657 PolarHBondContact O-N 2.69Å; E654-K657 VanDerWaalsContact O-N 3.11Å; E654-K657 IonicContact OE1-NZ 3.74Å; E654-K657 PolarHBondContact OE1-NZ 2.89Å; E654-K657 IonicContact OE2-NZ 3.86Å; K657-K659 PolarHBondContact O-N 3.31Å |
| 658 | A | 88.7 | Confident | 91.9 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -6.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H624 Q625 E654 Y655 N656 N660 | H624-A658 HydrophobicContact CB-CB 3.74Å; Q625-A658 HydrophobicContact CB-CB 4.21Å; E654-A658 WeakPolarHBondContact O-CB 3.42Å; E654-A658 PolarHBondContact O-N 3Å; Y655-A658 CarbonylContact O-C 3.57Å; Y655-A658 WeakPolarHBondContact O-CB 3.35Å; Y655-A658 PolarHBondContact O-N 2.89Å; N656-A658 VanDerWaalsContact C-N 3.27Å; N656-A658 PolarHBondContact O-N 3.11Å; A658-N660 PolarHBondContact O-N 3.26Å |
| 659 | K | 90.9 | Very high | 91.9 | Very high | 181 Ų | 181 | 60.6 Ų | 60.6 | 79% | 0.787 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 33.4 | -172.8 | -55.1 | -179.8 | -178.7 | 176.6 | 0 | 113.8 | Y655 N656 K657 | Y655-K659 PolarHBondContact O-N 3.37Å; N656-K659 PolarHBondContact O-N 3.05Å; N656-K659 VanDerWaalsContact O-N 3.11Å; K657-K659 PolarHBondContact O-N 3.31Å |
| 660 | N | 91 | Very high | 91.8 | Very high | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.193 | 30% | 0.298 | C | S | . | . | trans | -99.4 | 81.4 | 175.8 | -174.4 | -9 | 0 | 0 | 0 | 110.8 | Q625 Y655 A658 F662 A663 A664 | Q625-N660 VanDerWaalsContact CD-ND2 3.31Å; Q625-N660 PolarHBondContact NE2-ND2 3.21Å; Q625-N660 PolarHBondContact OE1-ND2 3.38Å; Y655-N660 PolarHBondContact O-N 3.4Å; A658-N660 PolarHBondContact O-N 3.26Å; N660-F662 PolarHBondContact O-N 2.99Å; N660-A663 HydrophobicContact CB-CB 4.35Å; N660-A663 VanDerWaalsContact ND2-CB 3.32Å; N660-A663 WeakPolarHBondContact ND2-CB 3.4Å; N660-A663 PolarHBondContact O-N 2.84Å; N660-A663 PolarHBondContact OD1-N 3.27Å; N660-A663 VanDerWaalsContact OD1-N 3.11Å; N660-A664 PolarHBondContact O-N 3.45Å | ||
| 661 | D | 90.3 | Very high | 91.8 | Very high | 127 Ų | 127 | 57.5 Ų | 57.5 | 68% | 0.679 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.3 | -34.1 | -176.2 | -61.4 | -29.2 | 0 | 0 | 0 | 112.9 | K665 | D661-K665 WeakPolarHBondContact O-CB 3.47Å; D661-K665 PolarHBondContact O-N 3.44Å |
| 662 | F | 92.9 | Very high | 91.7 | Very high | 170 Ų | 170 | 63.3 Ų | 63.3 | 75% | 0.746 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.5 | -51.3 | 179.8 | 175.6 | -97.6 | 0 | 0 | 0 | 111.2 | N660 K665 A666 | N660-F662 PolarHBondContact O-N 2.99Å; F662-K665 PolarHBondContact O-N 3.39Å; F662-A666 VanDerWaalsContact O-CB 3.27Å; F662-A666 WeakPolarHBondContact O-CB 3.18Å; F662-A666 PolarHBondContact O-N 2.87Å |
| 663 | A | 90.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 12% | 0.116 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -39.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y655 N660 T667 | Y655-A663 HydrophobicContact CD1-CB 3.73Å; Y655-A663 HydrophobicContact CD2-CB 3.91Å; Y655-A663 HydrophobicContact CE1-CB 3.79Å; Y655-A663 HydrophobicContact CE2-CB 3.97Å; Y655-A663 HydrophobicContact CG-CB 3.79Å; N660-A663 HydrophobicContact CB-CB 4.35Å; N660-A663 VanDerWaalsContact ND2-CB 3.32Å; N660-A663 WeakPolarHBondContact ND2-CB 3.4Å; N660-A663 PolarHBondContact O-N 2.84Å; N660-A663 PolarHBondContact OD1-N 3.27Å; N660-A663 VanDerWaalsContact OD1-N 3.11Å; A663-T667 WeakPolarHBondContact O-CB 3.3Å; A663-T667 PolarHBondContact O-N 3.46Å; A663-T667 PolarHBondContact O-OG1 3.41Å |
| 664 | A | 91.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -52.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N660 A666 T667 E668 | N660-A664 PolarHBondContact O-N 3.45Å; A664-A666 PolarHBondContact O-N 2.97Å; A664-T667 PolarHBondContact O-N 2.94Å; A664-E668 WeakPolarHBondContact O-CG 3.47Å; A664-E668 PolarHBondContact O-N 3.39Å |
| 665 | K | 91.8 | Very high | 91.4 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | -179.4 | -173.5 | 176.8 | 177.9 | -176.2 | 0 | 113.1 | D661 F662 T667 E668 E669 | D661-K665 WeakPolarHBondContact O-CB 3.47Å; D661-K665 PolarHBondContact O-N 3.44Å; F662-K665 PolarHBondContact O-N 3.39Å; K665-T667 VanDerWaalsContact C-N 3.29Å; K665-T667 PolarHBondContact O-N 2.94Å; K665-E668 PolarHBondContact O-N 2.9Å; K665-E669 VanDerWaalsContact CE-OE1 3.22Å; K665-E669 WeakPolarHBondContact CE-OE1 3.3Å; K665-E669 WeakPolarHBondContact O-CB 3.34Å; K665-E669 WeakPolarHBondContact O-CG 3.46Å; K665-E669 PolarHBondContact O-N 3.44Å |
| 666 | A | 91.8 | Very high | 91.2 | Very high | 39 Ų | 39 | 66.5 Ų | 66.5 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F662 A664 E669 E670 | F662-A666 VanDerWaalsContact O-CB 3.27Å; F662-A666 WeakPolarHBondContact O-CB 3.18Å; F662-A666 PolarHBondContact O-N 2.87Å; A664-A666 PolarHBondContact O-N 2.97Å; A666-E669 PolarHBondContact O-N 2.99Å; A666-E670 PolarHBondContact O-N 3.32Å |
| 667 | T | 92.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 176.9 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | V632 L648 A651 V652 Y655 A663 A664 K665 E670 M671 | V632-T667 HydrophobicContact CG2-CG2 4.36Å; L648-T667 HydrophobicContact CB-CG2 4.02Å; L648-T667 HydrophobicContact CD2-CG2 3.78Å; L648-T667 HydrophobicContact CG-CG2 4.48Å; A651-T667 HydrophobicContact CB-CG2 4.23Å; V652-T667 HydrophobicContact CG2-CG2 3.7Å; Y655-T667 WeakPolarHBondContact CE2-OG1 3.38Å; A663-T667 WeakPolarHBondContact O-CB 3.3Å; A663-T667 PolarHBondContact O-N 3.46Å; A663-T667 PolarHBondContact O-OG1 3.41Å; A664-T667 PolarHBondContact O-N 2.94Å; K665-T667 VanDerWaalsContact C-N 3.29Å; K665-T667 PolarHBondContact O-N 2.94Å; T667-E670 PolarHBondContact O-N 2.98Å; T667-M671 WeakPolarHBondContact O-CG 3.31Å; T667-M671 PolarHBondContact O-N 3.36Å |
| 668 | E | 92.6 | Very high | 91 | Very high | 68 Ų | 68 | 62.1 Ų | 62.1 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 172.7 | -73.2 | -177.2 | -170.5 | 0 | 0 | 112.7 | V652 A664 K665 M671 R672 | V652-E668 HydrophobicContact CG1-CG 4.11Å; V652-E668 HydrophobicContact CG2-CG 3.89Å; A664-E668 WeakPolarHBondContact O-CG 3.47Å; A664-E668 PolarHBondContact O-N 3.39Å; K665-E668 PolarHBondContact O-N 2.9Å; E668-M671 PolarHBondContact O-N 3.11Å; E668-R672 VanDerWaalsContact O-CG 3.31Å; E668-R672 WeakPolarHBondContact O-CG 3.29Å; E668-R672 PolarHBondContact O-N 2.9Å; E668-R672 IonicContact OE2-NH2 3.46Å; E668-R672 PolarHBondContact OE2-NH2 2.94Å |
| 669 | E | 92.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 176.7 | -77.1 | 177.9 | -172.5 | 0 | 0 | 110.8 | K665 A666 M671 R672 L673 F716 | K665-E669 VanDerWaalsContact CE-OE1 3.22Å; K665-E669 WeakPolarHBondContact CE-OE1 3.3Å; K665-E669 WeakPolarHBondContact O-CB 3.34Å; K665-E669 WeakPolarHBondContact O-CG 3.46Å; K665-E669 PolarHBondContact O-N 3.44Å; A666-E669 PolarHBondContact O-N 2.99Å; E669-M671 PolarHBondContact O-N 3.41Å; E669-R672 WeakPolarHBondContact O-CB 3.5Å; E669-R672 PolarHBondContact O-N 3.2Å; E669-L673 PolarHBondContact O-N 3.41Å; E669-F716 HydrophobicContact CB-CD1 4.24Å; E669-F716 HydrophobicContact CB-CE1 3.91Å; E669-F716 HydrophobicContact CG-CD1 4.41Å; E669-F716 HydrophobicContact CG-CE1 4.38Å; E669-F716 VanDerWaalsContact O-CE1 3.29Å; E669-F716 WeakPolarHBondContact O-CE1 3.27Å |
| 670 | E | 91.4 | Very high | 90.6 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 172.6 | 176.2 | 65.5 | -178.7 | 0 | 0 | 111.7 | R644 L648 A666 T667 R672 L673 L674 | R644-E670 IonicContact NH2-OE1 3.63Å; R644-E670 PolarHBondContact NH2-OE1 2.86Å; L648-E670 HydrophobicContact CD1-CG 4.33Å; A666-E670 PolarHBondContact O-N 3.32Å; T667-E670 PolarHBondContact O-N 2.98Å; E670-R672 VanDerWaalsContact C-N 3.33Å; E670-R672 PolarHBondContact O-N 3.19Å; E670-L673 PolarHBondContact O-N 3.45Å; E670-L674 HydrophobicContact CG-CD1 4.09Å; E670-L674 HydrophobicContact CG-CG 4.47Å; E670-L674 WeakPolarHBondContact O-CG 3.35Å; E670-L674 PolarHBondContact O-N 3.29Å |
| 671 | M | 91.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.8 | -69.6 | 173.4 | 68.4 | 0 | 0 | 112.3 | L645 L648 Q649 V652 T667 E668 E669 R675 | L645-M671 HydrophobicContact CD2-CB 3.92Å; L645-M671 HydrophobicContact CD2-CE 4.36Å; L645-M671 HydrophobicContact CD2-CG 3.94Å; L648-M671 HydrophobicContact CB-CG 3.55Å; L648-M671 HydrophobicContact CB-SD 3.67Å; L648-M671 HydrophobicContact CD1-CG 3.8Å; L648-M671 HydrophobicContact CG-CG 4.3Å; Q649-M671 HydrophobicContact CB-CE 3.97Å; V652-M671 HydrophobicContact CG2-SD 4.3Å; T667-M671 WeakPolarHBondContact O-CG 3.31Å; T667-M671 PolarHBondContact O-N 3.36Å; E668-M671 PolarHBondContact O-N 3.11Å; E669-M671 PolarHBondContact O-N 3.41Å; M671-R675 VanDerWaalsContact O-CG 3.3Å; M671-R675 WeakPolarHBondContact O-CG 3.22Å; M671-R675 PolarHBondContact O-N 3.48Å; M671-R675 VanDerWaalsContact O-N 3.11Å |
| 672 | R | 91.8 | Very high | 90.1 | Very high | 122 Ų | 122 | 56.7 Ų | 56.7 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.4 | -69.6 | 174.3 | -147.4 | 173.8 | 6.6 | 111 | E668 E669 E670 R675 F676 F716 | E668-R672 VanDerWaalsContact O-CG 3.31Å; E668-R672 WeakPolarHBondContact O-CG 3.29Å; E668-R672 PolarHBondContact O-N 2.9Å; E668-R672 IonicContact OE2-NH2 3.46Å; E668-R672 PolarHBondContact OE2-NH2 2.94Å; E669-R672 WeakPolarHBondContact O-CB 3.5Å; E669-R672 PolarHBondContact O-N 3.2Å; E670-R672 VanDerWaalsContact C-N 3.33Å; E670-R672 PolarHBondContact O-N 3.19Å; R672-R675 PolarHBondContact O-N 2.91Å; R672-F676 WeakPolarHBondContact O-CB 3.45Å; R672-F676 PolarHBondContact O-N 2.92Å; R672-F716 HydrophobicContact CB-CZ 4.12Å |
| 673 | L | 91.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -47.3 | 178.7 | -179.7 | 60.5 | 0 | 0 | 0 | 111.2 | E669 E670 R675 F676 Q677 L693 T696 L712 F716 | E669-L673 PolarHBondContact O-N 3.41Å; E670-L673 PolarHBondContact O-N 3.45Å; L673-R675 VanDerWaalsContact C-N 3.33Å; L673-R675 PolarHBondContact O-N 2.91Å; L673-F676 WeakPolarHBondContact O-CB 3.36Å; L673-F676 PolarHBondContact O-N 3.12Å; L673-F676 VanDerWaalsContact O-N 3.13Å; L673-Q677 HydrophobicContact CD1-CG 4.21Å; L673-Q677 HydrophobicContact CG-CG 4.36Å; L673-Q677 WeakPolarHBondContact O-CG 3.47Å; L673-Q677 PolarHBondContact O-N 2.78Å; L673-L693 HydrophobicContact CD1-CD1 3.95Å; L673-L693 HydrophobicContact CD2-CB 4.07Å; L673-T696 HydrophobicContact CD1-CG2 4.46Å; L673-L712 HydrophobicContact CD1-CD2 4.24Å; L673-F716 HydrophobicContact CB-CE1 4.17Å; L673-F716 HydrophobicContact CB-CZ 3.76Å; L673-F716 HydrophobicContact CD1-CZ 4.39Å |
| 674 | L | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 178.6 | -71.7 | 171.5 | 0 | 0 | 0 | 112.3 | L641 R644 L645 L648 E670 F676 R678 | L641-L674 HydrophobicContact CD1-CB 4.02Å; L641-L674 HydrophobicContact CD1-CD1 4.47Å; R644-L674 HydrophobicContact CG-CD1 4.48Å; L645-L674 HydrophobicContact CD2-CB 4.42Å; L645-L674 HydrophobicContact CD2-CD1 4.46Å; L648-L674 HydrophobicContact CD1-CD1 3.8Å; E670-L674 HydrophobicContact CG-CD1 4.09Å; E670-L674 HydrophobicContact CG-CG 4.47Å; E670-L674 WeakPolarHBondContact O-CG 3.35Å; E670-L674 PolarHBondContact O-N 3.29Å; L674-F676 VanDerWaalsContact C-N 3.35Å; L674-R678 WeakPolarHBondContact O-CB 3.46Å; L674-R678 PolarHBondContact O-N 3.13Å |
| 675 | R | 90.4 | Very high | 88.3 | Confident | 135 Ų | 135 | 61 Ų | 61 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 174.1 | -73 | 173.6 | -175.8 | 161.2 | 3 | 111.6 | L645 M671 R672 L673 K679 | L645-R675 HydrophobicContact CD1-CG 3.98Å; L645-R675 HydrophobicContact CD2-CG 4.43Å; M671-R675 VanDerWaalsContact O-CG 3.3Å; M671-R675 WeakPolarHBondContact O-CG 3.22Å; M671-R675 PolarHBondContact O-N 3.48Å; M671-R675 VanDerWaalsContact O-N 3.11Å; R672-R675 PolarHBondContact O-N 2.91Å; L673-R675 VanDerWaalsContact C-N 3.33Å; L673-R675 PolarHBondContact O-N 2.91Å; R675-K679 WeakPolarHBondContact O-CB 3.45Å; R675-K679 PolarHBondContact O-N 3.49Å; R675-K679 VanDerWaalsContact O-N 3.08Å |
| 676 | F | 88.9 | Confident | 87.3 | Confident | 30 Ų | 30 | 57 Ų | 57 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 177.5 | -176.8 | -89.5 | 0 | 0 | 0 | 112.2 | R672 L673 L674 R678 K679 L680 L700 Q708 L712 | R672-F676 WeakPolarHBondContact O-CB 3.45Å; R672-F676 PolarHBondContact O-N 2.92Å; L673-F676 WeakPolarHBondContact O-CB 3.36Å; L673-F676 PolarHBondContact O-N 3.12Å; L673-F676 VanDerWaalsContact O-N 3.13Å; L674-F676 VanDerWaalsContact C-N 3.35Å; F676-R678 PolarHBondContact O-N 2.94Å; F676-K679 PolarHBondContact O-N 2.83Å; F676-L680 HydrophobicContact CD1-CD1 3.94Å; F676-L680 HydrophobicContact CE1-CD1 3.25Å; F676-L680 HydrophobicContact CE1-CG 4.16Å; F676-L680 HydrophobicContact CZ-CD1 3.65Å; F676-L680 HydrophobicContact CZ-CG 4.4Å; F676-L680 PolarHBondContact O-N 2.79Å; F676-L680 VanDerWaalsContact O-N 3.12Å; F676-L700 HydrophobicContact CE1-CD1 4.12Å; F676-Q708 HydrophobicContact CZ-CB 4.15Å; F676-L712 HydrophobicContact CD1-CD1 4.04Å; F676-L712 HydrophobicContact CD1-CD2 3.65Å; F676-L712 HydrophobicContact CD1-CG 4.05Å; F676-L712 HydrophobicContact CD2-CD2 4.34Å; F676-L712 HydrophobicContact CE1-CD1 3.65Å; F676-L712 HydrophobicContact CE1-CD2 3.72Å; F676-L712 HydrophobicContact CE1-CG 3.6Å; F676-L712 HydrophobicContact CE2-CD2 4.41Å; F676-L712 HydrophobicContact CG-CD2 3.96Å; F676-L712 HydrophobicContact CZ-CD1 4.42Å; F676-L712 HydrophobicContact CZ-CD2 4.11Å; F676-L712 HydrophobicContact CZ-CG 3.93Å |
| 677 | Q | 88.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 176.2 | -73.6 | 170.8 | -12.6 | 0 | 0 | 111.2 | L673 K679 L680 D681 L688 L691 T696 | L673-Q677 HydrophobicContact CD1-CG 4.21Å; L673-Q677 HydrophobicContact CG-CG 4.36Å; L673-Q677 WeakPolarHBondContact O-CG 3.47Å; L673-Q677 PolarHBondContact O-N 2.78Å; Q677-K679 PolarHBondContact O-N 3.38Å; Q677-L680 PolarHBondContact O-N 3.33Å; Q677-D681 PolarHBondContact O-N 3.25Å; Q677-L688 HydrophobicContact CB-CB 4.24Å; Q677-L688 HydrophobicContact CG-CB 4.16Å; Q677-L688 PolarHBondContact NE2-O 3.45Å; Q677-L688 PolarHBondContact OE1-O 3.04Å; Q677-L691 PolarHBondContact NE2-O 3.37Å; Q677-T696 HydrophobicContact CG-CG2 3.99Å; Q677-T696 PolarHBondContact NE2-OG1 3.08Å |
| 678 | R | 88.1 | Confident | 86.3 | Confident | 105 Ų | 105 | 57.5 Ų | 57.5 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 178.8 | -178.8 | 65.5 | -167.5 | -170.5 | 7.4 | 112.3 | L641 L674 F676 L680 D681 D682 L689 | L641-R678 HydrophobicContact CD2-CB 3.44Å; L641-R678 VanDerWaalsContact CD2-CB 3.44Å; L641-R678 HydrophobicContact CD2-CG 3.43Å; L641-R678 VanDerWaalsContact CD2-CG 3.43Å; L674-R678 WeakPolarHBondContact O-CB 3.46Å; L674-R678 PolarHBondContact O-N 3.13Å; F676-R678 PolarHBondContact O-N 2.94Å; R678-L680 VanDerWaalsContact C-N 3.27Å; R678-L680 PolarHBondContact O-N 2.77Å; R678-D681 PolarHBondContact O-N 3.27Å; R678-D682 IonicContact CZ-OD1 3.38Å; R678-D682 IonicContact CZ-OD2 3.78Å; R678-D682 IonicContact NE-OD1 2.7Å; R678-D682 PolarHBondContact NE-OD1 3.15Å; R678-D682 VanDerWaalsContact NE-OD1 3.12Å; R678-D682 IonicContact NE-OD2 3.93Å; R678-D682 PolarHBondContact NE-OD2 3Å; R678-D682 IonicContact NH2-OD1 2.78Å; R678-D682 PolarHBondContact NH2-OD1 3.2Å; R678-D682 IonicContact NH2-OD2 2.99Å; R678-D682 PolarHBondContact O-N 3.04Å; R678-L689 HydrophobicContact CB-CD1 4.09Å |
| 679 | K | 87.4 | Confident | 86 | Confident | 127 Ų | 127 | 57.8 Ų | 57.8 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -56.6 | -43.9 | 177.6 | -178.6 | 177.7 | 176.1 | 178.3 | 0 | 111.4 | R675 F676 Q677 E683 | R675-K679 WeakPolarHBondContact O-CB 3.45Å; R675-K679 PolarHBondContact O-N 3.49Å; R675-K679 VanDerWaalsContact O-N 3.08Å; F676-K679 PolarHBondContact O-N 2.83Å; Q677-K679 PolarHBondContact O-N 3.38Å; K679-E683 WeakPolarHBondContact CE-OE1 3.41Å; K679-E683 IonicContact NZ-OE1 3.89Å; K679-E683 WeakPolarHBondContact O-CB 3.27Å; K679-E683 VanDerWaalsContact O-CG 3.28Å; K679-E683 WeakPolarHBondContact O-CG 3.43Å; K679-E683 PolarHBondContact O-N 2.91Å |
| 680 | L | 85.2 | Confident | 85.5 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.1 | -31.8 | 178.4 | -71.6 | -175.7 | 0 | 0 | 0 | 113.6 | F676 Q677 R678 K684 L688 L700 Q708 | F676-L680 HydrophobicContact CD1-CD1 3.94Å; F676-L680 HydrophobicContact CE1-CD1 3.25Å; F676-L680 HydrophobicContact CE1-CG 4.16Å; F676-L680 HydrophobicContact CZ-CD1 3.65Å; F676-L680 HydrophobicContact CZ-CG 4.4Å; F676-L680 PolarHBondContact O-N 2.79Å; F676-L680 VanDerWaalsContact O-N 3.12Å; Q677-L680 PolarHBondContact O-N 3.33Å; R678-L680 VanDerWaalsContact C-N 3.27Å; R678-L680 PolarHBondContact O-N 2.77Å; L680-K684 WeakPolarHBondContact O-CA 3.36Å; L680-K684 WeakPolarHBondContact O-CB 3.44Å; L680-K684 PolarHBondContact O-N 3.22Å; L680-L688 HydrophobicContact CB-CD1 4.04Å; L680-L688 HydrophobicContact CD1-CD1 4.2Å; L680-L700 HydrophobicContact CD1-CD1 4.3Å; L680-L700 HydrophobicContact CD1-CD2 3.65Å; L680-Q708 HydrophobicContact CD1-CB 4.28Å; L680-Q708 HydrophobicContact CD1-CG 4.18Å; L680-Q708 HydrophobicContact CD2-CG 4.14Å |
| 681 | D | 85.5 | Confident | 85.4 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 14% | 0.139 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 173.1 | -77.7 | -8.1 | 0 | 0 | 0 | 111.6 | Q677 R678 G685 G687 L688 L689 | Q677-D681 PolarHBondContact O-N 3.25Å; R678-D681 PolarHBondContact O-N 3.27Å; D681-G685 WeakPolarHBondContact O-CA 3.46Å; D681-G685 PolarHBondContact O-N 3.44Å; D681-G687 WeakPolarHBondContact OD1-CA 2.87Å; D681-G687 PolarHBondContact OD1-N 2.87Å; D681-L688 VanDerWaalsContact CG-N 3.28Å; D681-L688 PolarHBondContact OD1-N 2.85Å; D681-L688 PolarHBondContact OD2-N 3.36Å; D681-L689 WeakPolarHBondContact OD2-CB 3.28Å; D681-L689 PolarHBondContact OD2-N 3.22Å |
| 682 | D | 84.9 | Confident | 85.3 | Confident | 104 Ų | 104 | 61 Ų | 61 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69.3 | -38 | 176.5 | -68.2 | -32 | 0 | 0 | 0 | 111.7 | R678 | R678-D682 IonicContact CZ-OD1 3.38Å; R678-D682 IonicContact CZ-OD2 3.78Å; R678-D682 IonicContact NE-OD1 2.7Å; R678-D682 PolarHBondContact NE-OD1 3.15Å; R678-D682 VanDerWaalsContact NE-OD1 3.12Å; R678-D682 IonicContact NE-OD2 3.93Å; R678-D682 PolarHBondContact NE-OD2 3Å; R678-D682 IonicContact NH2-OD1 2.78Å; R678-D682 PolarHBondContact NH2-OD1 3.2Å; R678-D682 IonicContact NH2-OD2 2.99Å; R678-D682 PolarHBondContact O-N 3.04Å |
| 683 | E | 83.7 | Confident | 85.2 | Confident | 117 Ų | 117 | 57.2 Ų | 57.2 | 55% | 0.547 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -77.9 | -33.4 | 179.6 | -74.6 | 175.9 | -174 | 0 | 0 | 113.9 | K679 | K679-E683 WeakPolarHBondContact CE-OE1 3.41Å; K679-E683 IonicContact NZ-OE1 3.89Å; K679-E683 WeakPolarHBondContact O-CB 3.27Å; K679-E683 VanDerWaalsContact O-CG 3.28Å; K679-E683 WeakPolarHBondContact O-CG 3.43Å; K679-E683 PolarHBondContact O-N 2.91Å |
| 684 | K | 77.9 | Confident | 85.1 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -133.2 | -4.3 | -166.1 | -56.8 | -169 | 176 | -170.5 | 0 | 115.3 | L680 A686 L705 | L680-K684 WeakPolarHBondContact O-CA 3.36Å; L680-K684 WeakPolarHBondContact O-CB 3.44Å; L680-K684 PolarHBondContact O-N 3.22Å; K684-A686 VanDerWaalsContact C-N 3.28Å; K684-A686 PolarHBondContact O-N 2.84Å; K684-L705 HydrophobicContact CD-CD1 3.54Å; K684-L705 HydrophobicContact CD-CD2 4.13Å; K684-L705 HydrophobicContact CD-CG 4.5Å |
| 685 | G | 75.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 68% | 0.68 | 35% | 0.349 | S | S | * | . | trans | 62.8 | 31.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | D681 G687 | D681-G685 WeakPolarHBondContact O-CA 3.46Å; D681-G685 PolarHBondContact O-N 3.44Å; G685-G687 PolarHBondContact O-N 3.18Å | ||
| 686 | A | 71.6 | Confident | 84.8 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 21% | 0.207 | 32% | 0.324 | C | S | . | . | trans | -78.4 | -12.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K684 L688 L703 | K684-A686 VanDerWaalsContact C-N 3.28Å; K684-A686 PolarHBondContact O-N 2.84Å; A686-L688 HydrophobicContact CB-CD1 3.61Å; A686-L688 HydrophobicContact CB-CD2 4.24Å; A686-L688 HydrophobicContact CB-CG 3.58Å; A686-L703 HydrophobicContact CB-CD1 3.61Å | ||
| 687 | G | 79.8 | Confident | 84.6 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | trans | 64.1 | 39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | D681 G685 | D681-G687 WeakPolarHBondContact OD1-CA 2.87Å; D681-G687 PolarHBondContact OD1-N 2.87Å; G685-G687 PolarHBondContact O-N 3.18Å | ||
| 688 | L | 83.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | trans | -93.7 | -14.2 | -170.8 | -58.1 | 173.4 | 0 | 0 | 0 | 113.9 | Q677 L680 D681 A686 G690 L691 A699 L700 | Q677-L688 HydrophobicContact CB-CB 4.24Å; Q677-L688 HydrophobicContact CG-CB 4.16Å; Q677-L688 PolarHBondContact NE2-O 3.45Å; Q677-L688 PolarHBondContact OE1-O 3.04Å; L680-L688 HydrophobicContact CB-CD1 4.04Å; L680-L688 HydrophobicContact CD1-CD1 4.2Å; D681-L688 VanDerWaalsContact CG-N 3.28Å; D681-L688 PolarHBondContact OD1-N 2.85Å; D681-L688 PolarHBondContact OD2-N 3.36Å; A686-L688 HydrophobicContact CB-CD1 3.61Å; A686-L688 HydrophobicContact CB-CD2 4.24Å; A686-L688 HydrophobicContact CB-CG 3.58Å; L688-G690 PolarHBondContact O-N 3.12Å; L688-L691 HydrophobicContact CD2-CD1 4.1Å; L688-L691 WeakPolarHBondContact O-CB 3.2Å; L688-L691 WeakPolarHBondContact O-CG 3.34Å; L688-L691 PolarHBondContact O-N 3.41Å; L688-A699 HydrophobicContact CD2-CB 3.45Å; L688-A699 VanDerWaalsContact CD2-CB 3.45Å; L688-L700 HydrophobicContact CD1-CD2 3.6Å; L688-L700 HydrophobicContact CD1-CG 4.19Å | ||
| 689 | L | 84.8 | Confident | 84.3 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 122.9 | -175.1 | -164 | 82.4 | 0 | 0 | 0 | 112.4 | L641 R678 D681 | L641-L689 HydrophobicContact CD1-CD1 4.29Å; L641-L689 HydrophobicContact CD2-CD1 4.24Å; R678-L689 HydrophobicContact CB-CD1 4.09Å; D681-L689 WeakPolarHBondContact OD2-CB 3.28Å; D681-L689 PolarHBondContact OD2-N 3.22Å |
| 690 | G | 83 | Confident | 84.2 | Confident | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 0.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | L688 | L688-G690 PolarHBondContact O-N 3.12Š|
| 691 | L | 88.9 | Confident | 84.1 | Confident | 63 Ų | 63 | 47.7 Ų | 47.7 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | trans | -68.9 | 151.8 | 169.7 | -64.1 | -178.4 | 0 | 0 | 0 | 110.7 | Q677 L688 A695 A699 | Q677-L691 PolarHBondContact NE2-O 3.37Å; L688-L691 HydrophobicContact CD2-CD1 4.1Å; L688-L691 WeakPolarHBondContact O-CB 3.2Å; L688-L691 WeakPolarHBondContact O-CG 3.34Å; L688-L691 PolarHBondContact O-N 3.41Å; L691-A695 HydrophobicContact CB-CB 4.06Å; L691-A695 HydrophobicContact CD2-CB 4.44Å; L691-A699 HydrophobicContact CD1-CB 4.18Å | ||
| 692 | S | 90.2 | Very high | 83.8 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 49% | 0.49 | 31% | 0.309 | S | S | . | . | trans | -64.4 | 160.8 | 170.5 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | Q694 A695 T696 | S692-Q694 PolarHBondContact O-N 3.02Å; S692-A695 PolarHBondContact O-N 3.09Å; S692-A695 VanDerWaalsContact O-N 3.15Å; S692-A695 WeakPolarHBondContact OG-CB 3.44Å; S692-A695 PolarHBondContact OG-N 2.96Å; S692-A695 VanDerWaalsContact OG-N 3.15Å; S692-T696 WeakPolarHBondContact O-CB 3.47Å; S692-T696 PolarHBondContact O-N 2.88Å; S692-T696 PolarHBondContact O-OG1 3.17Å | ||
| 693 | L | 89.2 | Confident | 83.6 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52.6 | -41.3 | 176.3 | 179.9 | 63.9 | 0 | 0 | 0 | 111.9 | L673 M697 L712 F716 V718 | L673-L693 HydrophobicContact CD1-CD1 3.95Å; L673-L693 HydrophobicContact CD2-CB 4.07Å; L693-M697 HydrophobicContact CG-CE 4.11Å; L693-M697 WeakPolarHBondContact O-CG 3.43Å; L693-M697 PolarHBondContact O-N 3.14Å; L693-L712 HydrophobicContact CD1-CB 4.27Å; L693-L712 HydrophobicContact CD1-CD1 4.38Å; L693-L712 HydrophobicContact CD1-CD2 4.32Å; L693-F716 HydrophobicContact CD1-CB 4.24Å; L693-F716 HydrophobicContact CD1-CD1 4.31Å; L693-F716 HydrophobicContact CD1-CD2 3.76Å; L693-F716 HydrophobicContact CD1-CE2 4.19Å; L693-F716 HydrophobicContact CD1-CG 3.83Å; L693-F716 HydrophobicContact CD2-CB 3.54Å; L693-F716 HydrophobicContact CD2-CD1 4.05Å; L693-F716 HydrophobicContact CD2-CG 3.8Å; L693-F716 HydrophobicContact CG-CG 4.49Å; L693-V718 HydrophobicContact CD2-CG2 3.61Å; L693-V718 HydrophobicContact CG-CG2 4.39Å |
| 694 | Q | 88 | Confident | 83.3 | Confident | 81 Ų | 81 | 44.8 Ų | 44.8 | 38% | 0.379 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.7 | -50.7 | 177.4 | -175 | 179.3 | -36.2 | 0 | 0 | 111.9 | S692 T696 M697 E698 L726 | S692-Q694 PolarHBondContact O-N 3.02Å; Q694-T696 PolarHBondContact O-N 3.42Å; Q694-M697 PolarHBondContact O-N 3.25Å; Q694-M697 VanDerWaalsContact O-N 3.12Å; Q694-E698 PolarHBondContact NE2-OE1 2.81Å; Q694-E698 WeakPolarHBondContact O-CG 3.36Å; Q694-E698 PolarHBondContact O-N 2.78Å; Q694-L726 HydrophobicContact CG-CD1 3.52Å; Q694-L726 HydrophobicContact CG-CD2 4.01Å; Q694-L726 HydrophobicContact CG-CG 4.43Å |
| 695 | A | 86.6 | Confident | 83.6 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -33.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L691 S692 E698 A699 | L691-A695 HydrophobicContact CB-CB 4.06Å; L691-A695 HydrophobicContact CD2-CB 4.44Å; S692-A695 PolarHBondContact O-N 3.09Å; S692-A695 VanDerWaalsContact O-N 3.15Å; S692-A695 WeakPolarHBondContact OG-CB 3.44Å; S692-A695 PolarHBondContact OG-N 2.96Å; S692-A695 VanDerWaalsContact OG-N 3.15Å; A695-E698 PolarHBondContact O-N 2.73Å; A695-A699 VanDerWaalsContact O-CB 3.26Å; A695-A699 WeakPolarHBondContact O-CB 3.39Å; A695-A699 PolarHBondContact O-N 3.5Å |
| 696 | T | 88.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 173.3 | -51.1 | 0 | 0 | 0 | 0 | 110.7 | L673 Q677 S692 Q694 A699 L700 L712 | L673-T696 HydrophobicContact CD1-CG2 4.46Å; Q677-T696 HydrophobicContact CG-CG2 3.99Å; Q677-T696 PolarHBondContact NE2-OG1 3.08Å; S692-T696 WeakPolarHBondContact O-CB 3.47Å; S692-T696 PolarHBondContact O-N 2.88Å; S692-T696 PolarHBondContact O-OG1 3.17Å; Q694-T696 PolarHBondContact O-N 3.42Å; T696-A699 PolarHBondContact O-N 3.12Å; T696-L700 HydrophobicContact CG2-CD1 4.09Å; T696-L700 HydrophobicContact CG2-CG 4.48Å; T696-L700 WeakPolarHBondContact O-CB 3.49Å; T696-L700 WeakPolarHBondContact O-CG 3.42Å; T696-L700 PolarHBondContact O-N 3.04Å; T696-L712 HydrophobicContact CG2-CD1 3.79Å |
| 697 | M | 86.3 | Confident | 84.4 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 176.2 | -74.2 | -175.2 | -64.5 | 0 | 0 | 112.2 | L693 Q694 L700 M701 L712 V718 Y723 L726 | L693-M697 HydrophobicContact CG-CE 4.11Å; L693-M697 WeakPolarHBondContact O-CG 3.43Å; L693-M697 PolarHBondContact O-N 3.14Å; Q694-M697 PolarHBondContact O-N 3.25Å; Q694-M697 VanDerWaalsContact O-N 3.12Å; M697-L700 PolarHBondContact O-N 3.34Å; M697-M701 HydrophobicContact CB-CE 4.42Å; M697-M701 WeakPolarHBondContact O-CB 3.44Å; M697-M701 VanDerWaalsContact O-CG 3.22Å; M697-M701 WeakPolarHBondContact O-CG 3.38Å; M697-M701 PolarHBondContact O-N 3.15Å; M697-L712 HydrophobicContact CG-CB 4.09Å; M697-L712 HydrophobicContact CG-CD1 4.16Å; M697-L712 HydrophobicContact SD-CB 4.43Å; M697-V718 HydrophobicContact CE-CG1 4.3Å; M697-V718 HydrophobicContact CE-CG2 4.06Å; M697-V718 HydrophobicContact SD-CG2 4.4Å; M697-Y723 HydrophobicContact SD-CD2 4.1Å; M697-Y723 HydrophobicContact SD-CE2 4.37Å; M697-L726 HydrophobicContact CB-CD2 3.6Å; M697-L726 HydrophobicContact CE-CD2 3.8Å; M697-L726 HydrophobicContact SD-CD2 4.39Å |
| 698 | E | 84.7 | Confident | 84.7 | Confident | 78 Ų | 78 | 47 Ų | 47 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 174.6 | -71.4 | 170.7 | -177.5 | 0 | 0 | 111.2 | Q694 A695 L700 M701 S702 L726 | Q694-E698 PolarHBondContact NE2-OE1 2.81Å; Q694-E698 WeakPolarHBondContact O-CG 3.36Å; Q694-E698 PolarHBondContact O-N 2.78Å; A695-E698 PolarHBondContact O-N 2.73Å; E698-L700 PolarHBondContact O-N 2.79Å; E698-M701 CarbonylContact O-C 3.54Å; E698-M701 PolarHBondContact O-N 2.9Å; E698-S702 WeakPolarHBondContact O-CB 3.45Å; E698-S702 PolarHBondContact O-N 3.32Å; E698-S702 PolarHBondContact O-OG 2.86Å; E698-L726 HydrophobicContact CG-CD1 3.32Å; E698-L726 HydrophobicContact CG-CD2 4.13Å; E698-L726 HydrophobicContact CG-CG 3.78Å; E698-L726 WeakPolarHBondContact OE1-CD1 3.48Å |
| 699 | A | 84.6 | Confident | 84.7 | Confident | 20 Ų | 20 | 47 Ų | 47 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L688 L691 A695 T696 S702 L703 | L688-A699 HydrophobicContact CD2-CB 3.45Å; L688-A699 VanDerWaalsContact CD2-CB 3.45Å; L691-A699 HydrophobicContact CD1-CB 4.18Å; A695-A699 VanDerWaalsContact O-CB 3.26Å; A695-A699 WeakPolarHBondContact O-CB 3.39Å; A695-A699 PolarHBondContact O-N 3.5Å; T696-A699 PolarHBondContact O-N 3.12Å; A699-S702 VanDerWaalsContact CA-OG 3.3Å; A699-S702 WeakPolarHBondContact CA-OG 3.44Å; A699-S702 CarbonylContact O-C 3.58Å; A699-S702 PolarHBondContact O-N 3.4Å; A699-S702 PolarHBondContact O-OG 3.16Å; A699-L703 WeakPolarHBondContact O-CB 3.46Å; A699-L703 VanDerWaalsContact O-CG 3.25Å; A699-L703 WeakPolarHBondContact O-CG 3.23Å; A699-L703 PolarHBondContact O-N 3.12Å |
| 700 | L | 85.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 175.1 | -71.1 | 171.4 | 0 | 0 | 0 | 111.9 | F676 L680 L688 T696 M697 E698 S702 L703 G704 L705 Q708 A709 L712 | F676-L700 HydrophobicContact CE1-CD1 4.12Å; L680-L700 HydrophobicContact CD1-CD1 4.3Å; L680-L700 HydrophobicContact CD1-CD2 3.65Å; L688-L700 HydrophobicContact CD1-CD2 3.6Å; L688-L700 HydrophobicContact CD1-CG 4.19Å; T696-L700 HydrophobicContact CG2-CD1 4.09Å; T696-L700 HydrophobicContact CG2-CG 4.48Å; T696-L700 WeakPolarHBondContact O-CB 3.49Å; T696-L700 WeakPolarHBondContact O-CG 3.42Å; T696-L700 PolarHBondContact O-N 3.04Å; M697-L700 PolarHBondContact O-N 3.34Å; E698-L700 PolarHBondContact O-N 2.79Å; L700-S702 VanDerWaalsContact C-N 3.31Å; L700-L703 PolarHBondContact O-N 3.42Å; L700-G704 PolarHBondContact O-N 3.16Å; L700-L705 HydrophobicContact CB-CB 4.33Å; L700-L705 HydrophobicContact CD2-CB 4.07Å; L700-L705 HydrophobicContact CD2-CD1 3.84Å; L700-L705 WeakPolarHBondContact O-CA 3.27Å; L700-L705 WeakPolarHBondContact O-CB 3.17Å; L700-L705 PolarHBondContact O-N 3.25Å; L700-Q708 HydrophobicContact CD1-CB 4.15Å; L700-Q708 HydrophobicContact CD2-CB 4.34Å; L700-A709 HydrophobicContact CB-CB 4.04Å; L700-L712 HydrophobicContact CD1-CD1 3.67Å |
| 701 | M | 83.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66 | -36.4 | 173.5 | -67.3 | 179 | -160.5 | 0 | 0 | 111.1 | M697 E698 L703 G704 A709 Y723 L726 K727 S730 | M697-M701 HydrophobicContact CB-CE 4.42Å; M697-M701 WeakPolarHBondContact O-CB 3.44Å; M697-M701 VanDerWaalsContact O-CG 3.22Å; M697-M701 WeakPolarHBondContact O-CG 3.38Å; M697-M701 PolarHBondContact O-N 3.15Å; E698-M701 CarbonylContact O-C 3.54Å; E698-M701 PolarHBondContact O-N 2.9Å; M701-L703 PolarHBondContact O-N 3.36Å; M701-G704 PolarHBondContact O-N 3.1Å; M701-G704 VanDerWaalsContact O-N 3.12Å; M701-A709 HydrophobicContact CE-CB 3.92Å; M701-A709 HydrophobicContact CG-CB 3.91Å; M701-Y723 HydrophobicContact CE-CD2 4.16Å; M701-Y723 HydrophobicContact CE-CE2 3.43Å; M701-Y723 VanDerWaalsContact CE-CE2 3.43Å; M701-L726 HydrophobicContact CE-CD2 4.43Å; M701-K727 HydrophobicContact CE-CB 4.14Å; M701-K727 HydrophobicContact CE-CG 4.49Å; M701-K727 HydrophobicContact SD-CB 4.02Å; M701-K727 HydrophobicContact SD-CG 4.18Å; M701-S730 VanDerWaalsContact CB-OG 3.22Å; M701-S730 WeakPolarHBondContact CB-OG 3.22Å |
| 702 | S | 79.8 | Confident | 84.8 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.8 | -13 | 174.6 | 78.6 | 0 | 0 | 0 | 0 | 114 | E698 A699 L700 K734 | E698-S702 WeakPolarHBondContact O-CB 3.45Å; E698-S702 PolarHBondContact O-N 3.32Å; E698-S702 PolarHBondContact O-OG 2.86Å; A699-S702 VanDerWaalsContact CA-OG 3.3Å; A699-S702 WeakPolarHBondContact CA-OG 3.44Å; A699-S702 CarbonylContact O-C 3.58Å; A699-S702 PolarHBondContact O-N 3.4Å; A699-S702 PolarHBondContact O-OG 3.16Å; L700-S702 VanDerWaalsContact C-N 3.31Å; S702-K734 VanDerWaalsContact CA-CE 3.42Å; S702-K734 WeakPolarHBondContact O-CE 3.48Å; S702-K734 PolarHBondContact O-NZ 3.18Å |
| 703 | L | 80.4 | Confident | 84.6 | Confident | 92 Ų | 92 | 44.4 Ų | 44.4 | 48% | 0.482 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 2.4 | 170.9 | -67.1 | 168.4 | 0 | 0 | 0 | 112.4 | A686 A699 L700 M701 L705 | A686-L703 HydrophobicContact CB-CD1 3.61Å; A699-L703 WeakPolarHBondContact O-CB 3.46Å; A699-L703 VanDerWaalsContact O-CG 3.25Å; A699-L703 WeakPolarHBondContact O-CG 3.23Å; A699-L703 PolarHBondContact O-N 3.12Å; L700-L703 PolarHBondContact O-N 3.42Å; M701-L703 PolarHBondContact O-N 3.36Å; L703-L705 VanDerWaalsContact C-N 3.26Å; L703-L705 HydrophobicContact CB-CD1 4.31Å; L703-L705 HydrophobicContact CB-CG 4.18Å; L703-L705 PolarHBondContact O-N 2.91Å |
| 704 | G | 78.4 | Confident | 84.5 | Confident | 37 Ų | 37 | 50 Ų | 50 | 38% | 0.381 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 10 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L700 M701 H706 | L700-G704 PolarHBondContact O-N 3.16Å; M701-G704 PolarHBondContact O-N 3.1Å; M701-G704 VanDerWaalsContact O-N 3.12Å; G704-H706 PolarHBondContact O-CD2 2.85Å; G704-H706 PolarHBondContact O-N 3.44Å |
| 705 | L | 82.4 | Confident | 84.4 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | trans | -86.6 | 55.6 | -177.8 | -62 | -176.6 | 0 | 0 | 0 | 111.6 | K684 L700 L703 K707 Q708 A709 | K684-L705 HydrophobicContact CD-CD1 3.54Å; K684-L705 HydrophobicContact CD-CD2 4.13Å; K684-L705 HydrophobicContact CD-CG 4.5Å; L700-L705 HydrophobicContact CB-CB 4.33Å; L700-L705 HydrophobicContact CD2-CB 4.07Å; L700-L705 HydrophobicContact CD2-CD1 3.84Å; L700-L705 WeakPolarHBondContact O-CA 3.27Å; L700-L705 WeakPolarHBondContact O-CB 3.17Å; L700-L705 PolarHBondContact O-N 3.25Å; L703-L705 VanDerWaalsContact C-N 3.26Å; L703-L705 HydrophobicContact CB-CD1 4.31Å; L703-L705 HydrophobicContact CB-CG 4.18Å; L703-L705 PolarHBondContact O-N 2.91Å; L705-K707 VanDerWaalsContact C-N 3.29Å; L705-K707 PolarHBondContact O-N 3.36Å; L705-Q708 HydrophobicContact CB-CB 4.41Å; L705-Q708 PolarHBondContact O-N 3.33Å; L705-Q708 PolarHBondContact O-OE1 3.25Å; L705-A709 PolarHBondContact O-N 3.34Å; L705-A709 VanDerWaalsContact O-N 3.15Å | ||
| 706 | H | 81.3 | Confident | 84.5 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 22% | 0.218 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -31.3 | -172.5 | -58.7 | -69.2 | 0 | 0 | 0 | 113.7 | G704 A709 E710 | G704-H706 PolarHBondContact O-CD2 2.85Å; G704-H706 PolarHBondContact O-N 3.44Å; H706-A709 PolarHBondContact O-N 3.15Å; H706-E710 WeakPolarHBondContact O-CB 3.4Å; H706-E710 PolarHBondContact O-N 3.38Å |
| 707 | K | 84.2 | Confident | 84.5 | Confident | 179 Ų | 179 | 61 Ų | 61 | 78% | 0.778 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.8 | -43.7 | 177.7 | -68.1 | -176 | 179.5 | 179.4 | 0 | 111.6 | L705 E710 Q711 | L705-K707 VanDerWaalsContact C-N 3.29Å; L705-K707 PolarHBondContact O-N 3.36Å; K707-E710 PolarHBondContact O-N 2.96Å; K707-Q711 PolarHBondContact O-N 3.45Å |
| 708 | Q | 84.9 | Confident | 84.6 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.2 | -69.5 | 82.8 | -2.7 | 0 | 0 | 111.4 | F676 L680 L700 L705 Q711 L712 | F676-Q708 HydrophobicContact CZ-CB 4.15Å; L680-Q708 HydrophobicContact CD1-CB 4.28Å; L680-Q708 HydrophobicContact CD1-CG 4.18Å; L680-Q708 HydrophobicContact CD2-CG 4.14Å; L700-Q708 HydrophobicContact CD1-CB 4.15Å; L700-Q708 HydrophobicContact CD2-CB 4.34Å; L705-Q708 HydrophobicContact CB-CB 4.41Å; L705-Q708 PolarHBondContact O-N 3.33Å; L705-Q708 PolarHBondContact O-OE1 3.25Å; Q708-Q711 WeakPolarHBondContact O-CB 3.46Å; Q708-Q711 PolarHBondContact O-N 3.27Å; Q708-L712 PolarHBondContact O-N 3.45Å; Q708-L712 VanDerWaalsContact O-N 3.09Å |
| 709 | A | 83.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L700 M701 L705 H706 Y713 | L700-A709 HydrophobicContact CB-CB 4.04Å; M701-A709 HydrophobicContact CE-CB 3.92Å; M701-A709 HydrophobicContact CG-CB 3.91Å; L705-A709 PolarHBondContact O-N 3.34Å; L705-A709 VanDerWaalsContact O-N 3.15Å; H706-A709 PolarHBondContact O-N 3.15Å; A709-Y713 PolarHBondContact O-N 3.44Å; A709-Y713 VanDerWaalsContact O-N 3.16Å |
| 710 | E | 84.6 | Confident | 84.8 | Confident | 69 Ų | 69 | 65.1 Ų | 65.1 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.9 | -33.8 | 174.3 | -168.5 | 174.8 | 173.2 | 0 | 0 | 112.4 | H706 K707 Y713 R714 | H706-E710 WeakPolarHBondContact O-CB 3.4Å; H706-E710 PolarHBondContact O-N 3.38Å; K707-E710 PolarHBondContact O-N 2.96Å; E710-Y713 HydrophobicContact CG-CD1 4.39Å; E710-Y713 PolarHBondContact O-N 2.9Å; E710-R714 WeakPolarHBondContact O-CG 3.26Å; E710-R714 PolarHBondContact O-N 2.78Å; E710-R714 IonicContact OE1-CZ 2.79Å; E710-R714 IonicContact OE1-NE 2.7Å; E710-R714 IonicContact OE1-NH2 3.86Å; E710-R714 PolarHBondContact OE1-NH2 3.36Å |
| 711 | Q | 87.7 | Confident | 84.9 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60 | -50.9 | 171.7 | 179.8 | 178.6 | -0.6 | 0 | 0 | 111.2 | K707 Q708 Y713 R714 D715 | K707-Q711 PolarHBondContact O-N 3.45Å; Q708-Q711 WeakPolarHBondContact O-CB 3.46Å; Q708-Q711 PolarHBondContact O-N 3.27Å; Q711-Y713 VanDerWaalsContact C-N 3.29Å; Q711-Y713 PolarHBondContact O-N 3.23Å; Q711-R714 PolarHBondContact O-N 2.53Å; Q711-R714 VanDerWaalsContact O-N 3.12Å; Q711-D715 VanDerWaalsContact CG-OD2 3.27Å; Q711-D715 WeakPolarHBondContact CG-OD2 3.44Å; Q711-D715 PolarHBondContact NE2-OD2 2.9Å; Q711-D715 WeakPolarHBondContact O-CB 3.3Å; Q711-D715 VanDerWaalsContact O-CG 3.27Å; Q711-D715 PolarHBondContact O-N 3.34Å |
| 712 | L | 86.5 | Confident | 85 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59 | -39.2 | 176.9 | -75.2 | -179.5 | 0 | 0 | 0 | 112.9 | L673 F676 L693 T696 M697 L700 Q708 R714 D715 F716 | L673-L712 HydrophobicContact CD1-CD2 4.24Å; F676-L712 HydrophobicContact CD1-CD1 4.04Å; F676-L712 HydrophobicContact CD1-CD2 3.65Å; F676-L712 HydrophobicContact CD1-CG 4.05Å; F676-L712 HydrophobicContact CD2-CD2 4.34Å; F676-L712 HydrophobicContact CE1-CD1 3.65Å; F676-L712 HydrophobicContact CE1-CD2 3.72Å; F676-L712 HydrophobicContact CE1-CG 3.6Å; F676-L712 HydrophobicContact CE2-CD2 4.41Å; F676-L712 HydrophobicContact CG-CD2 3.96Å; F676-L712 HydrophobicContact CZ-CD1 4.42Å; F676-L712 HydrophobicContact CZ-CD2 4.11Å; F676-L712 HydrophobicContact CZ-CG 3.93Å; L693-L712 HydrophobicContact CD1-CB 4.27Å; L693-L712 HydrophobicContact CD1-CD1 4.38Å; L693-L712 HydrophobicContact CD1-CD2 4.32Å; T696-L712 HydrophobicContact CG2-CD1 3.79Å; M697-L712 HydrophobicContact CG-CB 4.09Å; M697-L712 HydrophobicContact CG-CD1 4.16Å; M697-L712 HydrophobicContact SD-CB 4.43Å; L700-L712 HydrophobicContact CD1-CD1 3.67Å; Q708-L712 PolarHBondContact O-N 3.45Å; Q708-L712 VanDerWaalsContact O-N 3.09Å; L712-R714 VanDerWaalsContact C-N 3.32Å; L712-R714 PolarHBondContact O-N 2.91Å; L712-D715 PolarHBondContact O-N 3.24Å; L712-F716 HydrophobicContact CD2-CD2 3.86Å; L712-F716 HydrophobicContact CD2-CE2 3.53Å; L712-F716 WeakPolarHBondContact O-CB 3.49Å; L712-F716 WeakPolarHBondContact O-CD2 3.22Å; L712-F716 PolarHBondContact O-N 3.44Å |
| 713 | Y | 85.9 | Confident | 85.3 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58 | -43.1 | 175.6 | 155 | -106.2 | 0 | 0 | 0 | 112.4 | A709 E710 Q711 R717 V718 D720 Y723 | A709-Y713 PolarHBondContact O-N 3.44Å; A709-Y713 VanDerWaalsContact O-N 3.16Å; E710-Y713 HydrophobicContact CG-CD1 4.39Å; E710-Y713 PolarHBondContact O-N 2.9Å; Q711-Y713 VanDerWaalsContact C-N 3.29Å; Q711-Y713 PolarHBondContact O-N 3.23Å; Y713-R717 PolarHBondContact O-N 2.88Å; Y713-V718 HydrophobicContact CD2-CB 4.07Å; Y713-V718 VanDerWaalsContact CE2-O 3.23Å; Y713-V718 WeakPolarHBondContact CE2-O 3.4Å; Y713-V718 PolarHBondContact O-N 3.41Å; Y713-V718 VanDerWaalsContact O-N 3.14Å; Y713-D720 WeakPolarHBondContact CE2-OD1 3.25Å; Y713-D720 PolarHBondContact OH-OD1 2.71Å; Y713-Y723 HydrophobicContact CD1-CD1 4.44Å; Y713-Y723 HydrophobicContact CD1-CE1 4.39Å; Y713-Y723 AromaticContact CD2-CD1 3.95Å; Y713-Y723 HydrophobicContact CD2-CD1 3.95Å; Y713-Y723 AromaticContact CD2-CD2 3.8Å; Y713-Y723 HydrophobicContact CD2-CD2 3.8Å; Y713-Y723 HydrophobicContact CD2-CE2 4.46Å; Y713-Y723 AromaticContact CD2-CG 3.49Å; Y713-Y723 HydrophobicContact CD2-CG 3.49Å; Y713-Y723 VanDerWaalsContact CD2-CG 3.49Å; Y713-Y723 HydrophobicContact CE2-CD1 4.19Å; Y713-Y723 HydrophobicContact CE2-CG 4.03Å; Y713-Y723 HydrophobicContact CG-CD1 4.1Å; Y713-Y723 AromaticContact CG-CD2 3.8Å; Y713-Y723 HydrophobicContact CG-CD2 3.8Å; Y713-Y723 HydrophobicContact CG-CE1 4.32Å; Y713-Y723 HydrophobicContact CG-CE2 4.01Å; Y713-Y723 AromaticContact CG-CG 3.83Å; Y713-Y723 HydrophobicContact CG-CG 3.83Å |
| 714 | R | 87.6 | Confident | 85.5 | Confident | 161 Ų | 161 | 73 Ų | 73 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74.2 | -46.7 | 179.1 | -66 | 178.7 | -171.2 | -167.9 | 3.3 | 111.8 | E710 Q711 L712 F716 R717 | E710-R714 WeakPolarHBondContact O-CG 3.26Å; E710-R714 PolarHBondContact O-N 2.78Å; E710-R714 IonicContact OE1-CZ 2.79Å; E710-R714 IonicContact OE1-NE 2.7Å; E710-R714 IonicContact OE1-NH2 3.86Å; E710-R714 PolarHBondContact OE1-NH2 3.36Å; Q711-R714 PolarHBondContact O-N 2.53Å; Q711-R714 VanDerWaalsContact O-N 3.12Å; L712-R714 VanDerWaalsContact C-N 3.32Å; L712-R714 PolarHBondContact O-N 2.91Å; R714-F716 PolarHBondContact O-N 3.23Å; R714-R717 PolarHBondContact O-N 2.93Å |
| 715 | D | 86.8 | Confident | 85.9 | Confident | 93 Ų | 93 | 75 Ų | 75 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | -173.9 | -69.7 | -5.5 | 0 | 0 | 0 | 111.8 | Q711 L712 | Q711-D715 VanDerWaalsContact CG-OD2 3.27Å; Q711-D715 WeakPolarHBondContact CG-OD2 3.44Å; Q711-D715 PolarHBondContact NE2-OD2 2.9Å; Q711-D715 WeakPolarHBondContact O-CB 3.3Å; Q711-D715 VanDerWaalsContact O-CG 3.27Å; Q711-D715 PolarHBondContact O-N 3.34Å; L712-D715 PolarHBondContact O-N 3.24Å |
| 716 | F | 88.1 | Confident | 86.1 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 5.3 | 179 | -70.1 | -94.7 | 0 | 0 | 0 | 114 | E669 R672 L673 L693 L712 R714 V718 | E669-F716 HydrophobicContact CB-CD1 4.24Å; E669-F716 HydrophobicContact CB-CE1 3.91Å; E669-F716 HydrophobicContact CG-CD1 4.41Å; E669-F716 HydrophobicContact CG-CE1 4.38Å; E669-F716 VanDerWaalsContact O-CE1 3.29Å; E669-F716 WeakPolarHBondContact O-CE1 3.27Å; R672-F716 HydrophobicContact CB-CZ 4.12Å; L673-F716 HydrophobicContact CB-CE1 4.17Å; L673-F716 HydrophobicContact CB-CZ 3.76Å; L673-F716 HydrophobicContact CD1-CZ 4.39Å; L693-F716 HydrophobicContact CD1-CB 4.24Å; L693-F716 HydrophobicContact CD1-CD1 4.31Å; L693-F716 HydrophobicContact CD1-CD2 3.76Å; L693-F716 HydrophobicContact CD1-CE2 4.19Å; L693-F716 HydrophobicContact CD1-CG 3.83Å; L693-F716 HydrophobicContact CD2-CB 3.54Å; L693-F716 HydrophobicContact CD2-CD1 4.05Å; L693-F716 HydrophobicContact CD2-CG 3.8Å; L693-F716 HydrophobicContact CG-CG 4.49Å; L712-F716 HydrophobicContact CD2-CD2 3.86Å; L712-F716 HydrophobicContact CD2-CE2 3.53Å; L712-F716 WeakPolarHBondContact O-CB 3.49Å; L712-F716 WeakPolarHBondContact O-CD2 3.22Å; L712-F716 PolarHBondContact O-N 3.44Å; R714-F716 PolarHBondContact O-N 3.23Å; F716-V718 VanDerWaalsContact C-N 3.26Å; F716-V718 HydrophobicContact CB-CG2 4.21Å; F716-V718 PolarHBondContact O-N 3.03Å |
| 717 | R | 88.2 | Confident | 86.2 | Confident | 213 Ų | 213 | 73.4 Ų | 73.4 | 80% | 0.804 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 44.6 | 178.5 | -55.3 | -178.9 | -177.9 | -172.4 | 0.2 | 113.1 | Y713 R714 | Y713-R717 PolarHBondContact O-N 2.88Å; R714-R717 PolarHBondContact O-N 2.93Å |
| 718 | V | 87.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | trans | -63.5 | 133 | -178.9 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | L693 M697 Y713 F716 D720 R722 | L693-V718 HydrophobicContact CD2-CG2 3.61Å; L693-V718 HydrophobicContact CG-CG2 4.39Å; M697-V718 HydrophobicContact CE-CG1 4.3Å; M697-V718 HydrophobicContact CE-CG2 4.06Å; M697-V718 HydrophobicContact SD-CG2 4.4Å; Y713-V718 HydrophobicContact CD2-CB 4.07Å; Y713-V718 VanDerWaalsContact CE2-O 3.23Å; Y713-V718 WeakPolarHBondContact CE2-O 3.4Å; Y713-V718 PolarHBondContact O-N 3.41Å; Y713-V718 VanDerWaalsContact O-N 3.14Å; F716-V718 VanDerWaalsContact C-N 3.26Å; F716-V718 HydrophobicContact CB-CG2 4.21Å; F716-V718 PolarHBondContact O-N 3.03Å; V718-D720 PolarHBondContact O-N 3.36Å; V718-R722 HydrophobicContact CG1-CB 4.25Å; V718-R722 HydrophobicContact CG1-CG 4.36Å | ||
| 719 | P | 90.1 | Very high | 86.2 | Confident | 90 Ų | 90 | 68 Ų | 68 | 58% | 0.584 | 30% | 0.299 | S | S | * | . | trans | -55.2 | 133.9 | -179 | -27.8 | 34.6 | 0 | 0 | 0 | 112.8 | K721 R722 Y723 | P719-K721 VanDerWaalsContact C-N 3.26Å; P719-K721 PolarHBondContact O-N 3.39Å; P719-K721 VanDerWaalsContact O-N 3.16Å; P719-R722 HydrophobicContact CB-CB 4.44Å; P719-R722 WeakPolarHBondContact O-CA 3.38Å; P719-R722 WeakPolarHBondContact O-CB 2.91Å; P719-R722 PolarHBondContact O-N 3.46Å; P719-Y723 PolarHBondContact O-N 2.97Å; P719-Y723 VanDerWaalsContact O-N 3.1Å | ||
| 720 | D | 84.6 | Confident | 86.2 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.4 | -44 | -176.3 | -66.8 | -13.3 | 0 | 0 | 0 | 112.2 | Y713 V718 R722 Y723 W724 P750 | Y713-D720 WeakPolarHBondContact CE2-OD1 3.25Å; Y713-D720 PolarHBondContact OH-OD1 2.71Å; V718-D720 PolarHBondContact O-N 3.36Å; D720-R722 VanDerWaalsContact C-N 3.27Å; D720-R722 PolarHBondContact O-N 3.33Å; D720-Y723 PolarHBondContact O-N 3.06Å; D720-W724 WeakPolarHBondContact O-CB 3.49Å; D720-W724 PolarHBondContact O-N 2.84Å; D720-P750 HydrophobicContact CB-CB 4.31Å; D720-P750 HydrophobicContact CB-CG 3.94Å |
| 721 | K | 86.5 | Confident | 86 | Confident | 138 Ų | 138 | 65.3 Ų | 65.3 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -56.1 | -40.7 | 176.4 | -70.5 | -175.5 | 178.4 | 179.4 | 0 | 112.8 | P719 W725 P750 I751 | P719-K721 VanDerWaalsContact C-N 3.26Å; P719-K721 PolarHBondContact O-N 3.39Å; P719-K721 VanDerWaalsContact O-N 3.16Å; K721-W725 VanDerWaalsContact O-CD1 3.3Å; K721-W725 PolarHBondContact O-N 3.23Å; K721-P750 VanDerWaalsContact CE-O 3.27Å; K721-P750 WeakPolarHBondContact CE-O 3.33Å; K721-P750 HydrophobicContact CG-CB 3.87Å; K721-P750 HydrophobicContact CG-CG 4.44Å; K721-P750 WeakPolarHBondContact CG-O 3.27Å; K721-I751 HydrophobicContact CB-CG2 3.98Å; K721-I751 HydrophobicContact CG-CG2 4.26Å; K721-I751 WeakPolarHBondContact O-CG2 3.49Å |
| 722 | R | 85.4 | Confident | 85.8 | Confident | 153 Ų | 153 | 61 Ų | 61 | 58% | 0.577 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -72 | -47.5 | -178.2 | -174 | 107.9 | -68.1 | 179 | -1.2 | 110.7 | V718 P719 D720 W724 W725 L726 | V718-R722 HydrophobicContact CG1-CB 4.25Å; V718-R722 HydrophobicContact CG1-CG 4.36Å; P719-R722 HydrophobicContact CB-CB 4.44Å; P719-R722 WeakPolarHBondContact O-CA 3.38Å; P719-R722 WeakPolarHBondContact O-CB 2.91Å; P719-R722 PolarHBondContact O-N 3.46Å; D720-R722 VanDerWaalsContact C-N 3.27Å; D720-R722 PolarHBondContact O-N 3.33Å; R722-W724 VanDerWaalsContact C-N 3.33Å; R722-W724 PolarHBondContact O-N 3.22Å; R722-W725 PolarHBondContact O-N 2.97Å; R722-L726 WeakPolarHBondContact O-CB 3.44Å; R722-L726 PolarHBondContact O-N 3.12Å |
| 723 | Y | 85.9 | Confident | 85.6 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -40.7 | 178.4 | -179.9 | -102.5 | 0 | 0 | 0 | 112.3 | M697 M701 Y713 P719 D720 L726 K727 | M697-Y723 HydrophobicContact SD-CD2 4.1Å; M697-Y723 HydrophobicContact SD-CE2 4.37Å; M701-Y723 HydrophobicContact CE-CD2 4.16Å; M701-Y723 HydrophobicContact CE-CE2 3.43Å; M701-Y723 VanDerWaalsContact CE-CE2 3.43Å; Y713-Y723 HydrophobicContact CD1-CD1 4.44Å; Y713-Y723 HydrophobicContact CD1-CE1 4.39Å; Y713-Y723 AromaticContact CD2-CD1 3.95Å; Y713-Y723 HydrophobicContact CD2-CD1 3.95Å; Y713-Y723 AromaticContact CD2-CD2 3.8Å; Y713-Y723 HydrophobicContact CD2-CD2 3.8Å; Y713-Y723 HydrophobicContact CD2-CE2 4.46Å; Y713-Y723 AromaticContact CD2-CG 3.49Å; Y713-Y723 HydrophobicContact CD2-CG 3.49Å; Y713-Y723 VanDerWaalsContact CD2-CG 3.49Å; Y713-Y723 HydrophobicContact CE2-CD1 4.19Å; Y713-Y723 HydrophobicContact CE2-CG 4.03Å; Y713-Y723 HydrophobicContact CG-CD1 4.1Å; Y713-Y723 AromaticContact CG-CD2 3.8Å; Y713-Y723 HydrophobicContact CG-CD2 3.8Å; Y713-Y723 HydrophobicContact CG-CE1 4.32Å; Y713-Y723 HydrophobicContact CG-CE2 4.01Å; Y713-Y723 AromaticContact CG-CG 3.83Å; Y713-Y723 HydrophobicContact CG-CG 3.83Å; P719-Y723 PolarHBondContact O-N 2.97Å; P719-Y723 VanDerWaalsContact O-N 3.1Å; D720-Y723 PolarHBondContact O-N 3.06Å; Y723-L726 WeakPolarHBondContact O-CB 3.13Å; Y723-L726 PolarHBondContact O-N 3.22Å; Y723-K727 HydrophobicContact CE1-CD 3.87Å; Y723-K727 WeakPolarHBondContact O-CB 3.44Å; Y723-K727 PolarHBondContact O-N 3.35Å |
| 724 | W | 86.4 | Confident | 85.2 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.3 | -81.7 | 64.6 | 0 | 0 | 0 | 112.8 | D720 R722 L726 L728 F743 K747 P750 I751 F756 | D720-W724 WeakPolarHBondContact O-CB 3.49Å; D720-W724 PolarHBondContact O-N 2.84Å; R722-W724 VanDerWaalsContact C-N 3.33Å; R722-W724 PolarHBondContact O-N 3.22Å; W724-L726 VanDerWaalsContact C-N 3.33Å; W724-L728 WeakPolarHBondContact O-CB 3.22Å; W724-L728 PolarHBondContact O-N 2.67Å; W724-F743 HydrophobicContact CB-CZ 4.32Å; W724-F743 HydrophobicContact CD2-CE1 4.04Å; W724-F743 HydrophobicContact CD2-CE2 4.11Å; W724-F743 AromaticContact CD2-CZ 3.41Å; W724-F743 HydrophobicContact CD2-CZ 3.41Å; W724-F743 VanDerWaalsContact CD2-CZ 3.41Å; W724-F743 AromaticContact CE2-CZ 3.77Å; W724-F743 AromaticContact CE3-CE1 3.65Å; W724-F743 HydrophobicContact CE3-CE1 3.65Å; W724-F743 HydrophobicContact CE3-CE2 4.23Å; W724-F743 AromaticContact CE3-CZ 3.47Å; W724-F743 HydrophobicContact CE3-CZ 3.47Å; W724-F743 VanDerWaalsContact CE3-CZ 3.47Å; W724-F743 AromaticContact CG-CZ 3.82Å; W724-F743 HydrophobicContact CG-CZ 3.82Å; W724-F743 HydrophobicContact CH2-CE2 4.09Å; W724-F743 HydrophobicContact CH2-CZ 4.16Å; W724-F743 AromaticContact CZ2-CE2 3.99Å; W724-F743 HydrophobicContact CZ2-CE2 3.99Å; W724-F743 HydrophobicContact CZ2-CZ 4.13Å; W724-F743 HydrophobicContact CZ3-CD1 4.49Å; W724-F743 HydrophobicContact CZ3-CE1 4.01Å; W724-F743 HydrophobicContact CZ3-CE2 4.22Å; W724-F743 AromaticContact CZ3-CZ 3.86Å; W724-F743 HydrophobicContact CZ3-CZ 3.86Å; W724-K747 HydrophobicContact CH2-CB 4.22Å; W724-K747 VanDerWaalsContact CH2-O 3.22Å; W724-K747 WeakPolarHBondContact CH2-O 3.26Å; W724-K747 HydrophobicContact CZ2-CB 3.93Å; W724-P750 HydrophobicContact CB-CG 4.1Å; W724-P750 HydrophobicContact CD2-CG 3.97Å; W724-P750 HydrophobicContact CG-CG 3.62Å; W724-I751 HydrophobicContact CB-CD1 4.15Å; W724-I751 HydrophobicContact CB-CG1 4.27Å; W724-I751 HydrophobicContact CB-CG2 4.1Å; W724-F756 HydrophobicContact CE3-CE2 4.24Å; W724-F756 AromaticContact CE3-CZ 3.93Å; W724-F756 HydrophobicContact CE3-CZ 3.93Å; W724-F756 HydrophobicContact CZ3-CZ 4.04Å |
| 725 | W | 86.8 | Confident | 84.8 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 30% | 0.303 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 172.4 | -93.8 | 116.4 | 0 | 0 | 0 | 112.2 | K721 R722 L728 K729 I751 A755 V759 | K721-W725 VanDerWaalsContact O-CD1 3.3Å; K721-W725 PolarHBondContact O-N 3.23Å; R722-W725 PolarHBondContact O-N 2.97Å; W725-L728 HydrophobicContact CE3-CD2 4.25Å; W725-L728 HydrophobicContact CZ3-CD2 4.27Å; W725-K729 WeakPolarHBondContact O-CG 3.38Å; W725-K729 PolarHBondContact O-N 3Å; W725-I751 HydrophobicContact CD2-CD1 3.9Å; W725-I751 HydrophobicContact CE3-CD1 4.37Å; W725-I751 HydrophobicContact CG-CD1 3.98Å; W725-I751 HydrophobicContact CG-CG2 4.07Å; W725-A755 HydrophobicContact CH2-CB 3.28Å; W725-A755 HydrophobicContact CZ2-CB 3.39Å; W725-A755 HydrophobicContact CZ3-CB 3.88Å; W725-V759 HydrophobicContact CZ3-CG2 3.79Å |
| 726 | L | 85.4 | Confident | 84.5 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -51.2 | -179.4 | -161.5 | 68.2 | 0 | 0 | 0 | 111.8 | Q694 M697 E698 M701 R722 Y723 W724 K729 S730 | Q694-L726 HydrophobicContact CG-CD1 3.52Å; Q694-L726 HydrophobicContact CG-CD2 4.01Å; Q694-L726 HydrophobicContact CG-CG 4.43Å; M697-L726 HydrophobicContact CB-CD2 3.6Å; M697-L726 HydrophobicContact CE-CD2 3.8Å; M697-L726 HydrophobicContact SD-CD2 4.39Å; E698-L726 HydrophobicContact CG-CD1 3.32Å; E698-L726 HydrophobicContact CG-CD2 4.13Å; E698-L726 HydrophobicContact CG-CG 3.78Å; E698-L726 WeakPolarHBondContact OE1-CD1 3.48Å; M701-L726 HydrophobicContact CE-CD2 4.43Å; R722-L726 WeakPolarHBondContact O-CB 3.44Å; R722-L726 PolarHBondContact O-N 3.12Å; Y723-L726 WeakPolarHBondContact O-CB 3.13Å; Y723-L726 PolarHBondContact O-N 3.22Å; W724-L726 VanDerWaalsContact C-N 3.33Å; L726-K729 PolarHBondContact O-N 3.5Å; L726-S730 WeakPolarHBondContact O-CB 3.46Å; L726-S730 PolarHBondContact O-N 3.46Å |
| 727 | K | 83.6 | Confident | 84.2 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 14% | 0.143 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | -178.8 | -173.3 | 162.6 | 175.9 | 177.8 | 0 | 111.8 | M701 Y723 L731 F743 | M701-K727 HydrophobicContact CE-CB 4.14Å; M701-K727 HydrophobicContact CE-CG 4.49Å; M701-K727 HydrophobicContact SD-CB 4.02Å; M701-K727 HydrophobicContact SD-CG 4.18Å; Y723-K727 HydrophobicContact CE1-CD 3.87Å; Y723-K727 WeakPolarHBondContact O-CB 3.44Å; Y723-K727 PolarHBondContact O-N 3.35Å; K727-L731 HydrophobicContact CG-CD1 3.76Å; K727-L731 HydrophobicContact CG-CG 4.27Å; K727-L731 VanDerWaalsContact O-CB 3.3Å; K727-L731 WeakPolarHBondContact O-CB 3.46Å; K727-L731 WeakPolarHBondContact O-CG 3.09Å; K727-L731 PolarHBondContact O-N 2.58Å; K727-F743 HydrophobicContact CB-CE1 4.02Å; K727-F743 HydrophobicContact CB-CZ 4.03Å; K727-F743 HydrophobicContact CD-CD1 4.4Å; K727-F743 HydrophobicContact CD-CD2 3.82Å; K727-F743 HydrophobicContact CD-CE1 4.18Å; K727-F743 HydrophobicContact CD-CE2 3.58Å; K727-F743 HydrophobicContact CD-CG 4.23Å; K727-F743 HydrophobicContact CD-CZ 3.76Å; K727-F743 HydrophobicContact CG-CD1 4.19Å; K727-F743 HydrophobicContact CG-CD2 4.47Å; K727-F743 HydrophobicContact CG-CE1 3.98Å; K727-F743 HydrophobicContact CG-CE2 4.3Å; K727-F743 HydrophobicContact CG-CG 4.43Å; K727-F743 HydrophobicContact CG-CZ 4.04Å |
| 728 | L | 85.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -50.4 | 173.7 | 168.6 | 60.5 | 0 | 0 | 0 | 111.7 | W724 W725 A732 L740 I751 A755 F756 V759 | W724-L728 WeakPolarHBondContact O-CB 3.22Å; W724-L728 PolarHBondContact O-N 2.67Å; W725-L728 HydrophobicContact CE3-CD2 4.25Å; W725-L728 HydrophobicContact CZ3-CD2 4.27Å; L728-A732 VanDerWaalsContact O-CB 3.27Å; L728-A732 WeakPolarHBondContact O-CB 3.19Å; L728-A732 PolarHBondContact O-N 3.35Å; L728-L740 HydrophobicContact CD1-CD1 3.51Å; L728-L740 HydrophobicContact CD1-CD2 4.14Å; L728-L740 HydrophobicContact CD1-CG 4.4Å; L728-I751 HydrophobicContact CD2-CD1 3.9Å; L728-A755 HydrophobicContact CD2-CB 4.14Å; L728-F756 HydrophobicContact CD1-CB 4.37Å; L728-F756 HydrophobicContact CD1-CD1 3.61Å; L728-F756 HydrophobicContact CD1-CE1 3.93Å; L728-F756 HydrophobicContact CD1-CG 3.92Å; L728-F756 HydrophobicContact CD2-CD1 4.45Å; L728-F756 HydrophobicContact CD2-CD2 3.9Å; L728-F756 HydrophobicContact CD2-CE2 4.17Å; L728-F756 HydrophobicContact CD2-CG 4.04Å; L728-V759 HydrophobicContact CD1-CB 4.29Å; L728-V759 HydrophobicContact CD1-CG1 4.26Å; L728-V759 HydrophobicContact CD2-CB 4.29Å; L728-V759 HydrophobicContact CD2-CG2 4.04Å; L728-V759 HydrophobicContact CG-CB 4.18Å; L728-V759 HydrophobicContact CG-CG1 4.18Å; L728-V759 HydrophobicContact CG-CG2 4.23Å |
| 729 | K | 84.4 | Confident | 83.4 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | -179.8 | -73.4 | -179.6 | 178.6 | -174.4 | 0 | 111.9 | W725 L726 L731 A732 E733 | W725-K729 WeakPolarHBondContact O-CG 3.38Å; W725-K729 PolarHBondContact O-N 3Å; L726-K729 PolarHBondContact O-N 3.5Å; K729-L731 PolarHBondContact O-N 3Å; K729-A732 PolarHBondContact O-N 2.96Å; K729-E733 WeakPolarHBondContact O-CB 3.3Å; K729-E733 WeakPolarHBondContact O-CG 3.41Å; K729-E733 PolarHBondContact O-N 3.24Å |
| 730 | S | 82.1 | Confident | 83 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | -178 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | M701 L726 K734 | M701-S730 VanDerWaalsContact CB-OG 3.22Å; M701-S730 WeakPolarHBondContact CB-OG 3.22Å; L726-S730 WeakPolarHBondContact O-CB 3.46Å; L726-S730 PolarHBondContact O-N 3.46Å; S730-K734 PolarHBondContact O-N 3.07Å |
| 731 | L | 82 | Confident | 82.8 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 176.2 | -69.7 | 173.5 | 0 | 0 | 0 | 112.1 | K727 K729 E735 Q736 E739 L740 F743 | K727-L731 HydrophobicContact CG-CD1 3.76Å; K727-L731 HydrophobicContact CG-CG 4.27Å; K727-L731 VanDerWaalsContact O-CB 3.3Å; K727-L731 WeakPolarHBondContact O-CB 3.46Å; K727-L731 WeakPolarHBondContact O-CG 3.09Å; K727-L731 PolarHBondContact O-N 2.58Å; K729-L731 PolarHBondContact O-N 3Å; L731-E735 PolarHBondContact O-N 2.88Å; L731-Q736 HydrophobicContact CD2-CB 4.13Å; L731-Q736 PolarHBondContact O-N 3.34Å; L731-E739 HydrophobicContact CD2-CB 4.12Å; L731-L740 HydrophobicContact CB-CB 4.43Å; L731-L740 HydrophobicContact CB-CD1 4.14Å; L731-L740 HydrophobicContact CD1-CD1 4.15Å; L731-F743 HydrophobicContact CD1-CB 4.36Å |
| 732 | A | 82.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.9 | -39.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L728 K729 K734 E735 W737 V759 N763 | L728-A732 VanDerWaalsContact O-CB 3.27Å; L728-A732 WeakPolarHBondContact O-CB 3.19Å; L728-A732 PolarHBondContact O-N 3.35Å; K729-A732 PolarHBondContact O-N 2.96Å; A732-K734 PolarHBondContact O-N 3.34Å; A732-E735 PolarHBondContact O-N 3.29Å; A732-E735 VanDerWaalsContact O-N 3.15Å; A732-W737 HydrophobicContact CB-CH2 4.16Å; A732-W737 HydrophobicContact CB-CZ3 4.07Å; A732-V759 HydrophobicContact CB-CG1 3.51Å; A732-N763 VanDerWaalsContact C-ND2 3.28Å; A732-N763 PolarHBondContact O-ND2 2.78Å |
| 733 | E | 81.8 | Confident | 82.5 | Confident | 141 Ų | 141 | 54.2 Ų | 54.2 | 66% | 0.659 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.1 | -29.1 | 175.9 | -77.1 | 172.1 | -177.2 | 0 | 0 | 113 | K729 N763 | K729-E733 WeakPolarHBondContact O-CB 3.3Å; K729-E733 WeakPolarHBondContact O-CG 3.41Å; K729-E733 PolarHBondContact O-N 3.24Å; E733-N763 WeakPolarHBondContact CA-ND2 3.41Å; E733-N763 PolarHBondContact N-ND2 3.06Å |
| 734 | K | 77.7 | Confident | 82.3 | Confident | 82 Ų | 82 | 54 Ų | 54 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 6 | 176.2 | -64.2 | -173.5 | 119.1 | -150.2 | 0 | 114.3 | S702 S730 A732 Q736 | S702-K734 VanDerWaalsContact CA-CE 3.42Å; S702-K734 WeakPolarHBondContact O-CE 3.48Å; S702-K734 PolarHBondContact O-NZ 3.18Å; S730-K734 PolarHBondContact O-N 3.07Å; A732-K734 PolarHBondContact O-N 3.34Å; K734-Q736 HydrophobicContact CB-CG 4.03Å; K734-Q736 PolarHBondContact O-N 3.36Å; K734-Q736 VanDerWaalsContact O-N 3.1Å |
| 735 | E | 79.3 | Confident | 82 | Confident | 137 Ų | 137 | 59.4 Ų | 59.4 | 64% | 0.64 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 27.7 | -178.1 | -57.8 | -175.9 | 175.3 | 0 | 0 | 113.8 | L731 A732 W737 | L731-E735 PolarHBondContact O-N 2.88Å; A732-E735 PolarHBondContact O-N 3.29Å; A732-E735 VanDerWaalsContact O-N 3.15Å; E735-W737 HydrophobicContact CB-CZ2 4.4Å; E735-W737 HydrophobicContact CG-CZ2 4.24Å; E735-W737 PolarHBondContact O-N 2.76Å; E735-W737 PolarHBondContact O-NE1 3.33Å |
| 736 | Q | 81.1 | Confident | 81.6 | Confident | 61 Ų | 61 | 59 Ų | 59 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | trans | -82.5 | 62.5 | 178.5 | -68.7 | -176.5 | -22.9 | 0 | 0 | 110.7 | L731 K734 E738 E739 L740 | L731-Q736 HydrophobicContact CD2-CB 4.13Å; L731-Q736 PolarHBondContact O-N 3.34Å; K734-Q736 HydrophobicContact CB-CG 4.03Å; K734-Q736 PolarHBondContact O-N 3.36Å; K734-Q736 VanDerWaalsContact O-N 3.1Å; Q736-E738 VanDerWaalsContact C-N 3.34Å; Q736-E738 PolarHBondContact O-N 3.14Å; Q736-E739 HydrophobicContact CB-CB 4.49Å; Q736-E739 PolarHBondContact O-N 3.2Å; Q736-L740 PolarHBondContact O-N 3.23Å | ||
| 737 | W | 80.9 | Confident | 81.3 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -33.1 | -172.3 | -54.6 | 113.3 | 0 | 0 | 0 | 113.6 | A732 E735 L740 E741 C760 N763 N765 E768 | A732-W737 HydrophobicContact CB-CH2 4.16Å; A732-W737 HydrophobicContact CB-CZ3 4.07Å; E735-W737 HydrophobicContact CB-CZ2 4.4Å; E735-W737 HydrophobicContact CG-CZ2 4.24Å; E735-W737 PolarHBondContact O-N 2.76Å; E735-W737 PolarHBondContact O-NE1 3.33Å; W737-L740 HydrophobicContact CE3-CD2 3.84Å; W737-L740 HydrophobicContact CZ3-CD2 3.97Å; W737-L740 WeakPolarHBondContact O-CB 3.2Å; W737-L740 PolarHBondContact O-N 2.86Å; W737-E741 PolarHBondContact O-N 3.44Å; W737-C760 HydrophobicContact CZ3-CB 4.25Å; W737-N763 HydrophobicContact CH2-CB 3.78Å; W737-N763 HydrophobicContact CZ2-CB 4.22Å; W737-N765 HydrophobicContact CD2-CB 4.33Å; W737-N765 VanDerWaalsContact CD2-ND2 3.28Å; W737-N765 HydrophobicContact CH2-CB 3.79Å; W737-N765 HydrophobicContact CZ2-CB 3.57Å; W737-N765 HydrophobicContact CZ3-CB 4.26Å; W737-N765 PolarHBondContact NE1-ND2 3.32Å; W737-E768 HydrophobicContact CB-CG 4.31Å; W737-E768 HydrophobicContact CD2-CG 4.4Å; W737-E768 HydrophobicContact CE3-CB 4.25Å; W737-E768 HydrophobicContact CE3-CG 3.83Å |
| 738 | E | 80.4 | Confident | 81.1 | Confident | 148 Ų | 148 | 73.4 Ų | 73.4 | 69% | 0.692 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 177.1 | -64.5 | -172.4 | 173.3 | 0 | 0 | 112.6 | Q736 L740 E741 K742 | Q736-E738 VanDerWaalsContact C-N 3.34Å; Q736-E738 PolarHBondContact O-N 3.14Å; E738-L740 VanDerWaalsContact C-N 3.31Å; E738-E741 PolarHBondContact O-N 3.19Å; E738-K742 WeakPolarHBondContact O-CG 3.48Å; E738-K742 PolarHBondContact O-N 2.94Å |
| 739 | E | 78.6 | Confident | 81 | Confident | 80 Ų | 80 | 73.9 Ų | 73.9 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.8 | -31.3 | 176.2 | -70.8 | -59.1 | 132.3 | 0 | 0 | 111.2 | L731 Q736 K742 F743 | L731-E739 HydrophobicContact CD2-CB 4.12Å; Q736-E739 HydrophobicContact CB-CB 4.49Å; Q736-E739 PolarHBondContact O-N 3.2Å; E739-K742 IonicContact OE1-NZ 2.82Å; E739-K742 PolarHBondContact OE1-NZ 3.26Å; E739-F743 VanDerWaalsContact O-CB 3.26Å; E739-F743 WeakPolarHBondContact O-CB 3.18Å; E739-F743 PolarHBondContact O-N 3.18Å |
| 740 | L | 82.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 171.8 | -171.3 | 69 | 0 | 0 | 0 | 111.9 | L728 L731 Q736 W737 E738 F743 S744 F756 Y772 | L728-L740 HydrophobicContact CD1-CD1 3.51Å; L728-L740 HydrophobicContact CD1-CD2 4.14Å; L728-L740 HydrophobicContact CD1-CG 4.4Å; L731-L740 HydrophobicContact CB-CB 4.43Å; L731-L740 HydrophobicContact CB-CD1 4.14Å; L731-L740 HydrophobicContact CD1-CD1 4.15Å; Q736-L740 PolarHBondContact O-N 3.23Å; W737-L740 HydrophobicContact CE3-CD2 3.84Å; W737-L740 HydrophobicContact CZ3-CD2 3.97Å; W737-L740 WeakPolarHBondContact O-CB 3.2Å; W737-L740 PolarHBondContact O-N 2.86Å; E738-L740 VanDerWaalsContact C-N 3.31Å; L740-F743 WeakPolarHBondContact O-CB 3.29Å; L740-F743 PolarHBondContact O-N 3.26Å; L740-S744 PolarHBondContact O-N 3.47Å; L740-F756 HydrophobicContact CD1-CD1 4.21Å; L740-F756 HydrophobicContact CD1-CE1 3.97Å; L740-F756 HydrophobicContact CG-CD1 4.47Å; L740-Y772 HydrophobicContact CD2-CE2 4.36Å |
| 741 | E | 80.6 | Confident | 80.9 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.5 | -170.6 | 178.4 | 160.1 | 0 | 0 | 111 | W737 E738 F743 S744 K745 K771 Y772 | W737-E741 PolarHBondContact O-N 3.44Å; E738-E741 PolarHBondContact O-N 3.19Å; E741-F743 VanDerWaalsContact C-N 3.32Å; E741-F743 PolarHBondContact O-N 3.43Å; E741-S744 PolarHBondContact O-N 2.9Å; E741-S744 PolarHBondContact O-OG 3.06Å; E741-K745 PolarHBondContact O-N 3.3Å; E741-K745 WeakPolarHBondContact OE1-CE 3.42Å; E741-K745 IonicContact OE1-NZ 3.39Å; E741-K745 PolarHBondContact OE1-NZ 3.15Å; E741-K771 IonicContact OE2-NZ 3.48Å; E741-K771 PolarHBondContact OE2-NZ 3.48Å; E741-Y772 WeakPolarHBondContact CA-OH 3.38Å; E741-Y772 PolarHBondContact N-OH 3.2Å |
| 742 | K | 82.6 | Confident | 80.9 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 173 | -70 | 175 | -166 | 166.1 | 0 | 111.3 | E738 E739 S744 K745 S746 | E738-K742 WeakPolarHBondContact O-CG 3.48Å; E738-K742 PolarHBondContact O-N 2.94Å; E739-K742 IonicContact OE1-NZ 2.82Å; E739-K742 PolarHBondContact OE1-NZ 3.26Å; K742-S744 VanDerWaalsContact C-N 3.35Å; K742-S744 PolarHBondContact O-N 3.15Å; K742-K745 PolarHBondContact O-N 3.3Å; K742-S746 PolarHBondContact O-N 3.3Å |
| 743 | F | 82.4 | Confident | 81 | Confident | 13 Ų | 13 | 74 Ų | 74 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 178.5 | -178.2 | -124.8 | 0 | 0 | 0 | 112 | W724 K727 L731 E739 L740 E741 K745 S746 F756 | W724-F743 HydrophobicContact CB-CZ 4.32Å; W724-F743 HydrophobicContact CD2-CE1 4.04Å; W724-F743 HydrophobicContact CD2-CE2 4.11Å; W724-F743 AromaticContact CD2-CZ 3.41Å; W724-F743 HydrophobicContact CD2-CZ 3.41Å; W724-F743 VanDerWaalsContact CD2-CZ 3.41Å; W724-F743 AromaticContact CE2-CZ 3.77Å; W724-F743 AromaticContact CE3-CE1 3.65Å; W724-F743 HydrophobicContact CE3-CE1 3.65Å; W724-F743 HydrophobicContact CE3-CE2 4.23Å; W724-F743 AromaticContact CE3-CZ 3.47Å; W724-F743 HydrophobicContact CE3-CZ 3.47Å; W724-F743 VanDerWaalsContact CE3-CZ 3.47Å; W724-F743 AromaticContact CG-CZ 3.82Å; W724-F743 HydrophobicContact CG-CZ 3.82Å; W724-F743 HydrophobicContact CH2-CE2 4.09Å; W724-F743 HydrophobicContact CH2-CZ 4.16Å; W724-F743 AromaticContact CZ2-CE2 3.99Å; W724-F743 HydrophobicContact CZ2-CE2 3.99Å; W724-F743 HydrophobicContact CZ2-CZ 4.13Å; W724-F743 HydrophobicContact CZ3-CD1 4.49Å; W724-F743 HydrophobicContact CZ3-CE1 4.01Å; W724-F743 HydrophobicContact CZ3-CE2 4.22Å; W724-F743 AromaticContact CZ3-CZ 3.86Å; W724-F743 HydrophobicContact CZ3-CZ 3.86Å; K727-F743 HydrophobicContact CB-CE1 4.02Å; K727-F743 HydrophobicContact CB-CZ 4.03Å; K727-F743 HydrophobicContact CD-CD1 4.4Å; K727-F743 HydrophobicContact CD-CD2 3.82Å; K727-F743 HydrophobicContact CD-CE1 4.18Å; K727-F743 HydrophobicContact CD-CE2 3.58Å; K727-F743 HydrophobicContact CD-CG 4.23Å; K727-F743 HydrophobicContact CD-CZ 3.76Å; K727-F743 HydrophobicContact CG-CD1 4.19Å; K727-F743 HydrophobicContact CG-CD2 4.47Å; K727-F743 HydrophobicContact CG-CE1 3.98Å; K727-F743 HydrophobicContact CG-CE2 4.3Å; K727-F743 HydrophobicContact CG-CG 4.43Å; K727-F743 HydrophobicContact CG-CZ 4.04Å; L731-F743 HydrophobicContact CD1-CB 4.36Å; E739-F743 VanDerWaalsContact O-CB 3.26Å; E739-F743 WeakPolarHBondContact O-CB 3.18Å; E739-F743 PolarHBondContact O-N 3.18Å; L740-F743 WeakPolarHBondContact O-CB 3.29Å; L740-F743 PolarHBondContact O-N 3.26Å; E741-F743 VanDerWaalsContact C-N 3.32Å; E741-F743 PolarHBondContact O-N 3.43Å; F743-K745 PolarHBondContact O-N 3.22Å; F743-S746 WeakPolarHBondContact O-CB 3.49Å; F743-S746 PolarHBondContact O-N 3.43Å; F743-S746 VanDerWaalsContact O-N 3.14Å; F743-S746 PolarHBondContact O-OG 3.02Å; F743-F756 HydrophobicContact CD1-CE1 4.12Å; F743-F756 HydrophobicContact CD1-CZ 4.07Å; F743-F756 HydrophobicContact CE1-CE1 4.5Å; F743-F756 HydrophobicContact CE1-CZ 4.03Å |
| 744 | S | 80.9 | Confident | 81 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -26 | 177.9 | 84.6 | 0 | 0 | 0 | 0 | 114.3 | L740 E741 K742 Y753 Y772 | L740-S744 PolarHBondContact O-N 3.47Å; E741-S744 PolarHBondContact O-N 2.9Å; E741-S744 PolarHBondContact O-OG 3.06Å; K742-S744 VanDerWaalsContact C-N 3.35Å; K742-S744 PolarHBondContact O-N 3.15Å; S744-Y753 PolarHBondContact O-OH 3.08Å; S744-Y772 WeakPolarHBondContact OG-CE1 3.34Å |
| 745 | K | 81.3 | Confident | 81.2 | Confident | 130 Ų | 130 | 64.5 Ų | 64.5 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -93.2 | -14.5 | -179.4 | -66.4 | 175.8 | -172.1 | 170.8 | 0 | 112.6 | E741 K742 F743 | E741-K745 PolarHBondContact O-N 3.3Å; E741-K745 WeakPolarHBondContact OE1-CE 3.42Å; E741-K745 IonicContact OE1-NZ 3.39Å; E741-K745 PolarHBondContact OE1-NZ 3.15Å; K742-K745 PolarHBondContact O-N 3.3Å; F743-K745 PolarHBondContact O-N 3.22Å |
| 746 | S | 79.1 | Confident | 81.4 | Confident | 70 Ų | 70 | 58 Ų | 58 | 49% | 0.49 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -47.8 | -172.4 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | K742 F743 | K742-S746 PolarHBondContact O-N 3.3Å; F743-S746 WeakPolarHBondContact O-CB 3.49Å; F743-S746 PolarHBondContact O-N 3.43Å; F743-S746 VanDerWaalsContact O-N 3.14Å; F743-S746 PolarHBondContact O-OG 3.02Å |
| 747 | K | 78.6 | Confident | 81.3 | Confident | 154 Ų | 154 | 55 Ų | 55 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -148.9 | 165.7 | 174.3 | -64.2 | -175.5 | 177.4 | 178.6 | 0 | 109.8 | W724 S749 | W724-K747 HydrophobicContact CH2-CB 4.22Å; W724-K747 VanDerWaalsContact CH2-O 3.22Å; W724-K747 WeakPolarHBondContact CH2-O 3.26Å; W724-K747 HydrophobicContact CZ2-CB 3.93Å; K747-S749 PolarHBondContact O-N 3.44Å |
| 748 | K | 79.8 | Confident | 81.4 | Confident | 190 Ų | 190 | 57.6 Ų | 57.6 | 83% | 0.826 | 28% | 0.279 | S | S | * | . | trans | -61.9 | 124.2 | 173.4 | -172.2 | 175.8 | -178.9 | 179 | 0 | 109.6 | P750 | K748-P750 WeakPolarHBondContact O-CD 3.48Š| ||
| 749 | S | 81.8 | Confident | 81.6 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 8% | 0.077 | 25% | 0.25 | C | S | . | . | trans | -63.9 | 120.9 | -175.8 | 175.9 | 0 | 0 | 0 | 0 | 112 | K747 I751 G752 Y753 | K747-S749 PolarHBondContact O-N 3.44Å; S749-I751 PolarHBondContact O-N 2.95Å; S749-I751 WeakPolarHBondContact OG-CG1 3.47Å; S749-I751 PolarHBondContact OG-N 2.94Å; S749-G752 WeakPolarHBondContact CB-O 3.47Å; S749-G752 PolarHBondContact O-N 3.45Å; S749-G752 PolarHBondContact OG-N 3.27Å; S749-G752 PolarHBondContact OG-O 3.41Å; S749-Y753 PolarHBondContact N-OH 3.07Å | ||
| 750 | P | 80.1 | Confident | 81.8 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14 | 176.3 | 32.6 | -35.5 | 0 | 0 | 0 | 112.6 | D720 K721 W724 K748 | D720-P750 HydrophobicContact CB-CB 4.31Å; D720-P750 HydrophobicContact CB-CG 3.94Å; K721-P750 VanDerWaalsContact CE-O 3.27Å; K721-P750 WeakPolarHBondContact CE-O 3.33Å; K721-P750 HydrophobicContact CG-CB 3.87Å; K721-P750 HydrophobicContact CG-CG 4.44Å; K721-P750 WeakPolarHBondContact CG-O 3.27Å; W724-P750 HydrophobicContact CB-CG 4.1Å; W724-P750 HydrophobicContact CD2-CG 3.97Å; W724-P750 HydrophobicContact CG-CG 3.62Å; K748-P750 WeakPolarHBondContact O-CD 3.48Å |
| 751 | I | 84.1 | Confident | 81.8 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.7 | 177 | 64.1 | 171.1 | 0 | 0 | 0 | 112.5 | K721 W724 W725 L728 S749 A755 F756 | K721-I751 HydrophobicContact CB-CG2 3.98Å; K721-I751 HydrophobicContact CG-CG2 4.26Å; K721-I751 WeakPolarHBondContact O-CG2 3.49Å; W724-I751 HydrophobicContact CB-CD1 4.15Å; W724-I751 HydrophobicContact CB-CG1 4.27Å; W724-I751 HydrophobicContact CB-CG2 4.1Å; W725-I751 HydrophobicContact CD2-CD1 3.9Å; W725-I751 HydrophobicContact CE3-CD1 4.37Å; W725-I751 HydrophobicContact CG-CD1 3.98Å; W725-I751 HydrophobicContact CG-CG2 4.07Å; L728-I751 HydrophobicContact CD2-CD1 3.9Å; S749-I751 PolarHBondContact O-N 2.95Å; S749-I751 WeakPolarHBondContact OG-CG1 3.47Å; S749-I751 PolarHBondContact OG-N 2.94Å; I751-A755 HydrophobicContact CD1-CB 3.88Å; I751-A755 HydrophobicContact CG1-CB 4.21Å; I751-F756 HydrophobicContact CD1-CD2 4.41Å; I751-F756 HydrophobicContact CD1-CE2 3.92Å; I751-F756 HydrophobicContact CG1-CE2 4.08Å |
| 752 | G | 83.4 | Confident | 81.9 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | trans | 73.7 | 177.8 | -169 | 0 | 0 | 0 | 0 | 0 | 112.3 | S749 | S749-G752 WeakPolarHBondContact CB-O 3.47Å; S749-G752 PolarHBondContact O-N 3.45Å; S749-G752 PolarHBondContact OG-N 3.27Å; S749-G752 PolarHBondContact OG-O 3.41Å | ||
| 753 | Y | 83.6 | Confident | 81.8 | Confident | 32 Ų | 32 | 52 Ų | 52 | 13% | 0.125 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -101.8 | -10.4 | 178.9 | -68.1 | -84.9 | 0 | 0 | 0 | 112.9 | S744 S749 A755 F756 V757 Y772 K775 | S744-Y753 PolarHBondContact O-OH 3.08Å; S749-Y753 PolarHBondContact N-OH 3.07Å; Y753-A755 VanDerWaalsContact C-N 3.28Å; Y753-A755 PolarHBondContact O-N 3.04Å; Y753-F756 HydrophobicContact CD1-CD2 4.37Å; Y753-F756 WeakPolarHBondContact O-CB 3.43Å; Y753-F756 PolarHBondContact O-N 3.13Å; Y753-F756 VanDerWaalsContact O-N 3.15Å; Y753-V757 WeakPolarHBondContact O-CG2 3.22Å; Y753-V757 PolarHBondContact O-N 3.45Å; Y753-Y772 HydrophobicContact CD1-CD1 4.5Å; Y753-K775 HydrophobicContact CD1-CB 4.04Å; Y753-K775 HydrophobicContact CD1-CD 4.13Å; Y753-K775 HydrophobicContact CD2-CB 3.72Å; Y753-K775 WeakPolarHBondContact CD2-O 3.43Å; Y753-K775 HydrophobicContact CE1-CB 4.48Å; Y753-K775 HydrophobicContact CE1-CD 3.98Å; Y753-K775 HydrophobicContact CE2-CB 4.2Å; Y753-K775 HydrophobicContact CG-CB 3.63Å |
| 754 | L | 81.7 | Confident | 81.5 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 172.8 | 178.8 | 68.5 | 0 | 0 | 0 | 110.8 | F756 V757 E758 V776 Q780 K783 A784 | L754-F756 VanDerWaalsContact C-N 3.27Å; L754-F756 PolarHBondContact O-N 2.97Å; L754-V757 WeakPolarHBondContact O-CB 3.5Å; L754-V757 PolarHBondContact O-N 3.04Å; L754-V757 VanDerWaalsContact O-N 3.08Å; L754-E758 HydrophobicContact CD1-CG 4.42Å; L754-E758 HydrophobicContact CG-CG 4.39Å; L754-E758 PolarHBondContact O-N 3.2Å; L754-V776 HydrophobicContact CB-CG1 4Å; L754-V776 HydrophobicContact CB-CG2 4.47Å; L754-Q780 HydrophobicContact CD2-CB 4.09Å; L754-Q780 HydrophobicContact CD2-CG 4.25Å; L754-K783 HydrophobicContact CD1-CB 4.47Å; L754-A784 HydrophobicContact CD1-CB 3.63Å |
| 755 | A | 82.1 | Confident | 81.4 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.3 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W725 L728 I751 Y753 V759 | W725-A755 HydrophobicContact CH2-CB 3.28Å; W725-A755 HydrophobicContact CZ2-CB 3.39Å; W725-A755 HydrophobicContact CZ3-CB 3.88Å; L728-A755 HydrophobicContact CD2-CB 4.14Å; I751-A755 HydrophobicContact CD1-CB 3.88Å; I751-A755 HydrophobicContact CG1-CB 4.21Å; Y753-A755 VanDerWaalsContact C-N 3.28Å; Y753-A755 PolarHBondContact O-N 3.04Å; A755-V759 WeakPolarHBondContact O-CB 3.39Å; A755-V759 VanDerWaalsContact O-CG2 3.29Å; A755-V759 WeakPolarHBondContact O-CG2 3.36Å; A755-V759 PolarHBondContact O-N 2.99Å |
| 756 | F | 83.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 177.4 | -76.4 | -109.7 | 0 | 0 | 0 | 111 | W724 L728 L740 F743 I751 Y753 L754 C760 Y772 | W724-F756 HydrophobicContact CE3-CE2 4.24Å; W724-F756 AromaticContact CE3-CZ 3.93Å; W724-F756 HydrophobicContact CE3-CZ 3.93Å; W724-F756 HydrophobicContact CZ3-CZ 4.04Å; L728-F756 HydrophobicContact CD1-CB 4.37Å; L728-F756 HydrophobicContact CD1-CD1 3.61Å; L728-F756 HydrophobicContact CD1-CE1 3.93Å; L728-F756 HydrophobicContact CD1-CG 3.92Å; L728-F756 HydrophobicContact CD2-CD1 4.45Å; L728-F756 HydrophobicContact CD2-CD2 3.9Å; L728-F756 HydrophobicContact CD2-CE2 4.17Å; L728-F756 HydrophobicContact CD2-CG 4.04Å; L740-F756 HydrophobicContact CD1-CD1 4.21Å; L740-F756 HydrophobicContact CD1-CE1 3.97Å; L740-F756 HydrophobicContact CG-CD1 4.47Å; F743-F756 HydrophobicContact CD1-CE1 4.12Å; F743-F756 HydrophobicContact CD1-CZ 4.07Å; F743-F756 HydrophobicContact CE1-CE1 4.5Å; F743-F756 HydrophobicContact CE1-CZ 4.03Å; I751-F756 HydrophobicContact CD1-CD2 4.41Å; I751-F756 HydrophobicContact CD1-CE2 3.92Å; I751-F756 HydrophobicContact CG1-CE2 4.08Å; Y753-F756 HydrophobicContact CD1-CD2 4.37Å; Y753-F756 WeakPolarHBondContact O-CB 3.43Å; Y753-F756 PolarHBondContact O-N 3.13Å; Y753-F756 VanDerWaalsContact O-N 3.15Å; L754-F756 VanDerWaalsContact C-N 3.27Å; L754-F756 PolarHBondContact O-N 2.97Å; F756-C760 WeakPolarHBondContact O-CB 3.46Å; F756-C760 PolarHBondContact O-N 3.17Å; F756-C760 PolarHBondContact O-SG 3.33Å; F756-Y772 HydrophobicContact CB-CD1 4.44Å; F756-Y772 HydrophobicContact CB-CD2 3.76Å; F756-Y772 HydrophobicContact CB-CE2 4.32Å; F756-Y772 HydrophobicContact CB-CG 3.83Å; F756-Y772 HydrophobicContact CD1-CE1 4.4Å; F756-Y772 HydrophobicContact CD1-CE2 4.36Å |
| 757 | V | 80.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 111 | Y753 L754 C760 M761 A769 V773 V776 A784 A787 V788 | Y753-V757 WeakPolarHBondContact O-CG2 3.22Å; Y753-V757 PolarHBondContact O-N 3.45Å; L754-V757 WeakPolarHBondContact O-CB 3.5Å; L754-V757 PolarHBondContact O-N 3.04Å; L754-V757 VanDerWaalsContact O-N 3.08Å; V757-C760 PolarHBondContact O-N 3.27Å; V757-M761 WeakPolarHBondContact O-CB 3.46Å; V757-M761 VanDerWaalsContact O-CG 3.29Å; V757-M761 WeakPolarHBondContact O-CG 3.41Å; V757-M761 PolarHBondContact O-N 3.23Å; V757-A769 HydrophobicContact CG1-CB 4.4Å; V757-V773 HydrophobicContact CG1-CG2 4.12Å; V757-V773 HydrophobicContact CG2-CG2 3.86Å; V757-V776 HydrophobicContact CG2-CG2 4.16Å; V757-A784 HydrophobicContact CG1-CB 4.44Å; V757-A784 HydrophobicContact CG2-CB 4.47Å; V757-A787 HydrophobicContact CG1-CB 4.45Å; V757-V788 HydrophobicContact CG1-CG2 3.29Å |
| 758 | E | 82.9 | Confident | 81.2 | Confident | 94 Ų | 94 | 56.8 Ų | 56.8 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | -177.5 | -70.5 | 178.2 | 171.2 | 0 | 0 | 112.4 | L754 M761 K762 | L754-E758 HydrophobicContact CD1-CG 4.42Å; L754-E758 HydrophobicContact CG-CG 4.39Å; L754-E758 PolarHBondContact O-N 3.2Å; E758-M761 PolarHBondContact O-N 3.36Å; E758-K762 WeakPolarHBondContact O-CB 3.36Å; E758-K762 PolarHBondContact O-N 3.44Å |
| 759 | V | 84.4 | Confident | 81.2 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.7 | -41.9 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | W725 L728 A732 A755 M761 K762 N763 | W725-V759 HydrophobicContact CZ3-CG2 3.79Å; L728-V759 HydrophobicContact CD1-CB 4.29Å; L728-V759 HydrophobicContact CD1-CG1 4.26Å; L728-V759 HydrophobicContact CD2-CB 4.29Å; L728-V759 HydrophobicContact CD2-CG2 4.04Å; L728-V759 HydrophobicContact CG-CB 4.18Å; L728-V759 HydrophobicContact CG-CG1 4.18Å; L728-V759 HydrophobicContact CG-CG2 4.23Å; A732-V759 HydrophobicContact CB-CG1 3.51Å; A755-V759 WeakPolarHBondContact O-CB 3.39Å; A755-V759 VanDerWaalsContact O-CG2 3.29Å; A755-V759 WeakPolarHBondContact O-CG2 3.36Å; A755-V759 PolarHBondContact O-N 2.99Å; V759-M761 VanDerWaalsContact C-N 3.32Å; V759-M761 PolarHBondContact O-N 2.7Å; V759-K762 PolarHBondContact O-N 3.1Å; V759-N763 PolarHBondContact O-N 3.13Å; V759-N763 PolarHBondContact O-OD1 2.73Å |
| 760 | C | 82.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 175.8 | -66.9 | 0 | 0 | 0 | 0 | 112 | W737 F756 V757 N763 N764 N765 A769 | W737-C760 HydrophobicContact CZ3-CB 4.25Å; F756-C760 WeakPolarHBondContact O-CB 3.46Å; F756-C760 PolarHBondContact O-N 3.17Å; F756-C760 PolarHBondContact O-SG 3.33Å; V757-C760 PolarHBondContact O-N 3.27Å; C760-N763 CarbonylContact O-C 3.52Å; C760-N763 PolarHBondContact O-N 3.47Å; C760-N764 PolarHBondContact O-N 3.32Å; C760-N765 PolarHBondContact O-N 3.14Å; C760-A769 HydrophobicContact CB-CB 3.74Å |
| 761 | M | 81.3 | Confident | 81.1 | Confident | 48 Ų | 48 | 55 Ų | 55 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 175.6 | -72.8 | -56.4 | -56.7 | 0 | 0 | 112.4 | V757 E758 V759 N763 N764 R766 A769 A787 V788 | V757-M761 WeakPolarHBondContact O-CB 3.46Å; V757-M761 VanDerWaalsContact O-CG 3.29Å; V757-M761 WeakPolarHBondContact O-CG 3.41Å; V757-M761 PolarHBondContact O-N 3.23Å; E758-M761 PolarHBondContact O-N 3.36Å; V759-M761 VanDerWaalsContact C-N 3.32Å; V759-M761 PolarHBondContact O-N 2.7Å; M761-N763 PolarHBondContact O-N 3.06Å; M761-N764 PolarHBondContact O-N 3.1Å; M761-N764 VanDerWaalsContact O-N 3.09Å; M761-R766 HydrophobicContact CE-CG 4.32Å; M761-R766 HydrophobicContact SD-CB 4.14Å; M761-R766 HydrophobicContact SD-CG 4Å; M761-A769 HydrophobicContact CG-CB 3.82Å; M761-A769 HydrophobicContact SD-CB 3.71Å; M761-A787 WeakPolarHBondContact CE-O 3.39Å; M761-V788 HydrophobicContact CG-CG2 3.99Å; M761-V788 HydrophobicContact SD-CB 4.25Å; M761-V788 HydrophobicContact SD-CG1 4.19Å; M761-V788 HydrophobicContact SD-CG2 4Å |
| 762 | K | 82.7 | Confident | 80.9 | Confident | 175 Ų | 175 | 53.8 Ų | 53.8 | 76% | 0.761 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62 | -31.6 | 175.6 | -170.7 | 179.8 | 177.7 | -173.3 | 0 | 112.4 | E758 V759 N764 | E758-K762 WeakPolarHBondContact O-CB 3.36Å; E758-K762 PolarHBondContact O-N 3.44Å; V759-K762 PolarHBondContact O-N 3.1Å; K762-N764 VanDerWaalsContact C-N 3.32Å |
| 763 | N | 80.8 | Confident | 80.7 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 21.6 | 177.2 | -70.2 | 56.1 | 0 | 0 | 0 | 112.2 | A732 E733 W737 V759 C760 M761 N765 | A732-N763 VanDerWaalsContact C-ND2 3.28Å; A732-N763 PolarHBondContact O-ND2 2.78Å; E733-N763 WeakPolarHBondContact CA-ND2 3.41Å; E733-N763 PolarHBondContact N-ND2 3.06Å; W737-N763 HydrophobicContact CH2-CB 3.78Å; W737-N763 HydrophobicContact CZ2-CB 4.22Å; V759-N763 PolarHBondContact O-N 3.13Å; V759-N763 PolarHBondContact O-OD1 2.73Å; C760-N763 CarbonylContact O-C 3.52Å; C760-N763 PolarHBondContact O-N 3.47Å; M761-N763 PolarHBondContact O-N 3.06Å; N763-N765 VanDerWaalsContact C-N 3.25Å; N763-N765 PolarHBondContact O-N 3.16Å; N763-N765 VanDerWaalsContact O-N 3.14Å |
| 764 | N | 76.5 | Confident | 80.4 | Confident | 152 Ų | 152 | 55.9 Ų | 55.9 | 81% | 0.813 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 15.5 | 175.6 | -67.7 | -31.4 | 0 | 0 | 0 | 117.1 | C760 M761 K762 R766 | C760-N764 PolarHBondContact O-N 3.32Å; M761-N764 PolarHBondContact O-N 3.1Å; M761-N764 VanDerWaalsContact O-N 3.09Å; K762-N764 VanDerWaalsContact C-N 3.32Å; N764-R766 PolarHBondContact O-N 2.98Å |
| 765 | N | 80 | Confident | 80.1 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | trans | -98.3 | 86.1 | 176.4 | -165.9 | -22.2 | 0 | 0 | 0 | 112.3 | W737 C760 N763 H767 E768 A769 | W737-N765 HydrophobicContact CD2-CB 4.33Å; W737-N765 VanDerWaalsContact CD2-ND2 3.28Å; W737-N765 HydrophobicContact CH2-CB 3.79Å; W737-N765 HydrophobicContact CZ2-CB 3.57Å; W737-N765 HydrophobicContact CZ3-CB 4.26Å; W737-N765 PolarHBondContact NE1-ND2 3.32Å; C760-N765 PolarHBondContact O-N 3.14Å; N763-N765 VanDerWaalsContact C-N 3.25Å; N763-N765 PolarHBondContact O-N 3.16Å; N763-N765 VanDerWaalsContact O-N 3.14Å; N765-H767 VanDerWaalsContact C-N 3.35Å; N765-H767 PolarHBondContact O-N 3.43Å; N765-H767 PolarHBondContact OD1-N 3.06Å; N765-E768 HydrophobicContact CB-CB 4.36Å; N765-E768 WeakPolarHBondContact OD1-CB 3.34Å; N765-E768 PolarHBondContact OD1-N 3.31Å; N765-A769 WeakPolarHBondContact O-CB 3.4Å; N765-A769 PolarHBondContact O-N 2.92Å | ||
| 766 | R | 77.5 | Confident | 79.9 | Confident | 116 Ų | 116 | 59 Ų | 59 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.7 | -32 | 179.2 | -165.7 | 178.2 | -176.9 | -177.4 | -0.4 | 113.3 | M761 N764 K770 V788 G789 | M761-R766 HydrophobicContact CE-CG 4.32Å; M761-R766 HydrophobicContact SD-CB 4.14Å; M761-R766 HydrophobicContact SD-CG 4Å; N764-R766 PolarHBondContact O-N 2.98Å; R766-K770 WeakPolarHBondContact O-CG 3.42Å; R766-K770 PolarHBondContact O-N 3.49Å; R766-V788 HydrophobicContact CG-CG1 3.82Å; R766-V788 PolarHBondContact NE-O 3.43Å; R766-V788 PolarHBondContact NH2-O 3.03Å; R766-G789 VanDerWaalsContact NH2-C 3.32Å; R766-G789 PolarHBondContact NH2-O 2.71Å |
| 767 | H | 78.9 | Confident | 79.7 | Confident | 158 Ų | 158 | 62.1 Ų | 62.1 | 73% | 0.731 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.7 | -43.6 | -178.2 | -77.3 | -81.5 | 0 | 0 | 0 | 111.6 | N765 | N765-H767 VanDerWaalsContact C-N 3.35Å; N765-H767 PolarHBondContact O-N 3.43Å; N765-H767 PolarHBondContact OD1-N 3.06Å |
| 768 | E | 78.3 | Confident | 79.2 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 178 | -165.4 | 55.8 | -149.3 | 0 | 0 | 111.2 | W737 N765 K770 K771 Y772 | W737-E768 HydrophobicContact CB-CG 4.31Å; W737-E768 HydrophobicContact CD2-CG 4.4Å; W737-E768 HydrophobicContact CE3-CB 4.25Å; W737-E768 HydrophobicContact CE3-CG 3.83Å; N765-E768 HydrophobicContact CB-CB 4.36Å; N765-E768 WeakPolarHBondContact OD1-CB 3.34Å; N765-E768 PolarHBondContact OD1-N 3.31Å; E768-K770 VanDerWaalsContact C-N 3.35Å; E768-K770 PolarHBondContact O-N 3.37Å; E768-K771 WeakPolarHBondContact O-CB 3.31Å; E768-K771 PolarHBondContact O-N 3.36Å; E768-K771 IonicContact OE1-NZ 2.72Å; E768-K771 WeakPolarHBondContact OE2-CD 3.29Å; E768-K771 WeakPolarHBondContact OE2-CE 3.44Å; E768-K771 IonicContact OE2-NZ 3.34Å; E768-K771 PolarHBondContact OE2-NZ 3.37Å; E768-Y772 HydrophobicContact CG-CE2 3.93Å; E768-Y772 VanDerWaalsContact O-CD2 3.31Å; E768-Y772 WeakPolarHBondContact O-CD2 3.49Å; E768-Y772 WeakPolarHBondContact O-CE2 3.33Å; E768-Y772 PolarHBondContact OE1-OH 3.05Å |
| 769 | A | 78.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V757 C760 M761 N765 K771 Y772 V788 | V757-A769 HydrophobicContact CG1-CB 4.4Å; C760-A769 HydrophobicContact CB-CB 3.74Å; M761-A769 HydrophobicContact CG-CB 3.82Å; M761-A769 HydrophobicContact SD-CB 3.71Å; N765-A769 WeakPolarHBondContact O-CB 3.4Å; N765-A769 PolarHBondContact O-N 2.92Å; A769-K771 PolarHBondContact O-N 2.91Å; A769-Y772 PolarHBondContact O-N 3.25Å; A769-Y772 VanDerWaalsContact O-N 3.11Å; A769-V788 HydrophobicContact CB-CG2 3.94Å |
| 770 | K | 79.6 | Confident | 78.4 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57 | -34.5 | 178.7 | -79.1 | -174.4 | 178.6 | -173.2 | 0 | 113 | R766 E768 Y772 V773 V788 | R766-K770 WeakPolarHBondContact O-CG 3.42Å; R766-K770 PolarHBondContact O-N 3.49Å; E768-K770 VanDerWaalsContact C-N 3.35Å; E768-K770 PolarHBondContact O-N 3.37Å; K770-Y772 PolarHBondContact O-N 2.61Å; K770-V773 PolarHBondContact O-N 3.32Å; K770-V788 HydrophobicContact CD-CG1 4.39Å; K770-V788 HydrophobicContact CG-CG1 3.45Å; K770-V788 VanDerWaalsContact CG-CG1 3.45Å |
| 771 | K | 80.6 | Confident | 78.2 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -27.3 | -179.6 | -63 | 179 | -177.6 | 168 | 0 | 112.8 | E741 E768 A769 S774 | E741-K771 IonicContact OE2-NZ 3.48Å; E741-K771 PolarHBondContact OE2-NZ 3.48Å; E768-K771 WeakPolarHBondContact O-CB 3.31Å; E768-K771 PolarHBondContact O-N 3.36Å; E768-K771 IonicContact OE1-NZ 2.72Å; E768-K771 WeakPolarHBondContact OE2-CD 3.29Å; E768-K771 WeakPolarHBondContact OE2-CE 3.44Å; E768-K771 IonicContact OE2-NZ 3.34Å; E768-K771 PolarHBondContact OE2-NZ 3.37Å; A769-K771 PolarHBondContact O-N 2.91Å; K771-S774 PolarHBondContact O-OG 3.06Å |
| 772 | Y | 80.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -92 | -20 | -177.4 | -55.3 | -54.4 | 0 | 0 | 0 | 113.5 | L740 E741 S744 Y753 F756 E768 A769 K770 S774 K775 V776 | L740-Y772 HydrophobicContact CD2-CE2 4.36Å; E741-Y772 WeakPolarHBondContact CA-OH 3.38Å; E741-Y772 PolarHBondContact N-OH 3.2Å; S744-Y772 WeakPolarHBondContact OG-CE1 3.34Å; Y753-Y772 HydrophobicContact CD1-CD1 4.5Å; F756-Y772 HydrophobicContact CB-CD1 4.44Å; F756-Y772 HydrophobicContact CB-CD2 3.76Å; F756-Y772 HydrophobicContact CB-CE2 4.32Å; F756-Y772 HydrophobicContact CB-CG 3.83Å; F756-Y772 HydrophobicContact CD1-CE1 4.4Å; F756-Y772 HydrophobicContact CD1-CE2 4.36Å; E768-Y772 HydrophobicContact CG-CE2 3.93Å; E768-Y772 VanDerWaalsContact O-CD2 3.31Å; E768-Y772 WeakPolarHBondContact O-CD2 3.49Å; E768-Y772 WeakPolarHBondContact O-CE2 3.33Å; E768-Y772 PolarHBondContact OE1-OH 3.05Å; A769-Y772 PolarHBondContact O-N 3.25Å; A769-Y772 VanDerWaalsContact O-N 3.11Å; K770-Y772 PolarHBondContact O-N 2.61Å; Y772-S774 VanDerWaalsContact C-N 3.28Å; Y772-S774 PolarHBondContact O-N 3.39Å; Y772-K775 PolarHBondContact O-N 3.09Å; Y772-V776 WeakPolarHBondContact O-CG2 3.42Å; Y772-V776 PolarHBondContact O-N 3.36Å |
| 773 | V | 77.9 | Confident | 77.6 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.4 | -39 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 112 | V757 K770 K775 V776 A784 H785 V788 | V757-V773 HydrophobicContact CG1-CG2 4.12Å; V757-V773 HydrophobicContact CG2-CG2 3.86Å; K770-V773 PolarHBondContact O-N 3.32Å; V773-K775 PolarHBondContact O-N 3.14Å; V773-V776 PolarHBondContact O-N 3.34Å; V773-A784 HydrophobicContact CG1-CB 4.17Å; V773-A784 HydrophobicContact CG2-CB 4.47Å; V773-H785 WeakPolarHBondContact CG1-CE1 3.44Å; V773-H785 VanDerWaalsContact CG1-NE2 3.34Å; V773-H785 WeakPolarHBondContact CG1-NE2 3.39Å; V773-V788 HydrophobicContact CG2-CG2 3.79Å |
| 774 | S | 77.4 | Confident | 77.4 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 63% | 0.629 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21 | 177.4 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | K771 Y772 | K771-S774 PolarHBondContact O-OG 3.06Å; Y772-S774 VanDerWaalsContact C-N 3.28Å; Y772-S774 PolarHBondContact O-N 3.39Å |
| 775 | K | 75.9 | Confident | 77.5 | Confident | 80 Ų | 80 | 61.1 Ų | 61.1 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3.9 | -179.6 | -59.2 | -176.8 | -179 | 178.3 | 0 | 113.3 | Y753 Y772 V773 | Y753-K775 HydrophobicContact CD1-CB 4.04Å; Y753-K775 HydrophobicContact CD1-CD 4.13Å; Y753-K775 HydrophobicContact CD2-CB 3.72Å; Y753-K775 WeakPolarHBondContact CD2-O 3.43Å; Y753-K775 HydrophobicContact CE1-CB 4.48Å; Y753-K775 HydrophobicContact CE1-CD 3.98Å; Y753-K775 HydrophobicContact CE2-CB 4.2Å; Y753-K775 HydrophobicContact CG-CB 3.63Å; Y772-K775 PolarHBondContact O-N 3.09Å; V773-K775 PolarHBondContact O-N 3.14Å |
| 776 | V | 78.9 | Confident | 77.3 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -71.4 | 144.9 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 110 | L754 V757 Y772 V773 Q780 A784 | L754-V776 HydrophobicContact CB-CG1 4Å; L754-V776 HydrophobicContact CB-CG2 4.47Å; V757-V776 HydrophobicContact CG2-CG2 4.16Å; Y772-V776 WeakPolarHBondContact O-CG2 3.42Å; Y772-V776 PolarHBondContact O-N 3.36Å; V773-V776 PolarHBondContact O-N 3.34Å; V776-Q780 HydrophobicContact CG1-CB 3.59Å; V776-A784 HydrophobicContact CB-CB 4.31Å; V776-A784 HydrophobicContact CG1-CB 4.24Å; V776-A784 HydrophobicContact CG2-CB 3.86Å |
| 777 | T | 77.7 | Confident | 77.2 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | trans | -60.7 | 148.5 | 176.7 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | E779 Q780 K781 | T777-E779 PolarHBondContact O-N 2.99Å; T777-Q780 PolarHBondContact O-N 3.46Å; T777-K781 PolarHBondContact O-N 3.11Å; T777-K781 VanDerWaalsContact O-N 3.13Å | ||
| 778 | P | 70.8 | Confident | 77.1 | Confident | 89 Ų | 89 | 49 Ų | 49 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -33.4 | -177.3 | -25.8 | 33.8 | 0 | 0 | 0 | 113 | Q780 R801 | P778-Q780 VanDerWaalsContact C-N 3.29Å; P778-Q780 PolarHBondContact O-N 3.26Å; P778-R801 WeakPolarHBondContact O-CD 3.33Å |
| 779 | E | 73.2 | Confident | 76.8 | Confident | 120 Ų | 120 | 50.6 Ų | 50.6 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -26.6 | -179.5 | -65.5 | 137.5 | -160.2 | 0 | 0 | 114.8 | T777 R801 | T777-E779 PolarHBondContact O-N 2.99Å; E779-R801 VanDerWaalsContact CA-NH1 3.28Å; E779-R801 PolarHBondContact O-NH1 3.36Å; E779-R801 VanDerWaalsContact O-NH1 3.13Å |
| 780 | Q | 77.2 | Confident | 76.8 | Confident | 78 Ų | 78 | 53 Ų | 53 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -2.5 | -173.6 | -71.5 | -179 | -7.9 | 0 | 0 | 112.2 | L754 V776 T777 P778 V782 K783 A784 | L754-Q780 HydrophobicContact CD2-CB 4.09Å; L754-Q780 HydrophobicContact CD2-CG 4.25Å; V776-Q780 HydrophobicContact CG1-CB 3.59Å; T777-Q780 PolarHBondContact O-N 3.46Å; P778-Q780 VanDerWaalsContact C-N 3.29Å; P778-Q780 PolarHBondContact O-N 3.26Å; Q780-V782 PolarHBondContact O-N 3.23Å; Q780-K783 PolarHBondContact O-N 3.19Å; Q780-A784 PolarHBondContact O-N 3.35Å |
| 781 | K | 77.8 | Confident | 76.5 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 27% | 0.274 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | -172.8 | -157.2 | 172.5 | 178.7 | -173.5 | 0 | 112.4 | T777 K783 A784 H785 A797 | T777-K781 PolarHBondContact O-N 3.11Å; T777-K781 VanDerWaalsContact O-N 3.13Å; K781-K783 VanDerWaalsContact C-N 3.34Å; K781-K783 PolarHBondContact O-N 3.25Å; K781-A784 WeakPolarHBondContact O-CB 3.35Å; K781-A784 PolarHBondContact O-N 2.99Å; K781-H785 PolarHBondContact O-CD2 3.24Å; K781-H785 PolarHBondContact O-N 3.17Å; K781-A797 HydrophobicContact CG-CB 4.48Å |
| 782 | V | 75.4 | Confident | 76.2 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 111 | Q780 A784 H785 L786 A794 A797 A798 E806 V810 | Q780-V782 PolarHBondContact O-N 3.23Å; V782-A784 VanDerWaalsContact C-N 3.35Å; V782-A784 PolarHBondContact O-N 2.98Å; V782-H785 PolarHBondContact O-N 3.26Å; V782-L786 HydrophobicContact CG1-CD1 4.11Å; V782-L786 HydrophobicContact CG1-CG 4.5Å; V782-L786 WeakPolarHBondContact O-CB 3.36Å; V782-L786 VanDerWaalsContact O-CG 3.28Å; V782-L786 WeakPolarHBondContact O-CG 3.28Å; V782-L786 PolarHBondContact O-N 3.2Å; V782-A794 HydrophobicContact CG1-CB 4.46Å; V782-A797 HydrophobicContact CG2-CB 3.9Å; V782-A798 HydrophobicContact CG1-CB 4.26Å; V782-A798 HydrophobicContact CG2-CB 3.86Å; V782-E806 HydrophobicContact CG1-CB 4.23Å; V782-E806 HydrophobicContact CG2-CB 4.38Å; V782-V810 HydrophobicContact CG1-CG2 3.69Å |
| 783 | K | 77.3 | Confident | 75.9 | Confident | 132 Ų | 132 | 52.4 Ų | 52.4 | 57% | 0.574 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.5 | -38.9 | 176.6 | -68.3 | -176.2 | 179.4 | 179.9 | 0 | 112.1 | L754 Q780 K781 A787 | L754-K783 HydrophobicContact CD1-CB 4.47Å; Q780-K783 PolarHBondContact O-N 3.19Å; K781-K783 VanDerWaalsContact C-N 3.34Å; K781-K783 PolarHBondContact O-N 3.25Å; K783-A787 WeakPolarHBondContact O-CB 3.41Å; K783-A787 PolarHBondContact O-N 2.97Å |
| 784 | A | 75.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L754 V757 V773 V776 Q780 K781 V782 A787 V788 | L754-A784 HydrophobicContact CD1-CB 3.63Å; V757-A784 HydrophobicContact CG1-CB 4.44Å; V757-A784 HydrophobicContact CG2-CB 4.47Å; V773-A784 HydrophobicContact CG1-CB 4.17Å; V773-A784 HydrophobicContact CG2-CB 4.47Å; V776-A784 HydrophobicContact CB-CB 4.31Å; V776-A784 HydrophobicContact CG1-CB 4.24Å; V776-A784 HydrophobicContact CG2-CB 3.86Å; Q780-A784 PolarHBondContact O-N 3.35Å; K781-A784 WeakPolarHBondContact O-CB 3.35Å; K781-A784 PolarHBondContact O-N 2.99Å; V782-A784 VanDerWaalsContact C-N 3.35Å; V782-A784 PolarHBondContact O-N 2.98Å; A784-A787 PolarHBondContact O-N 3.3Å; A784-V788 WeakPolarHBondContact O-CG2 3.41Å; A784-V788 PolarHBondContact O-N 3.18Å |
| 785 | H | 77.4 | Confident | 75.4 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 12% | 0.116 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.9 | -78.1 | -79.2 | 0 | 0 | 0 | 111.6 | V773 K781 V782 A787 V788 G789 D790 A794 | V773-H785 WeakPolarHBondContact CG1-CE1 3.44Å; V773-H785 VanDerWaalsContact CG1-NE2 3.34Å; V773-H785 WeakPolarHBondContact CG1-NE2 3.39Å; K781-H785 PolarHBondContact O-CD2 3.24Å; K781-H785 PolarHBondContact O-N 3.17Å; V782-H785 PolarHBondContact O-N 3.26Å; H785-A787 VanDerWaalsContact C-N 3.33Å; H785-A787 PolarHBondContact O-N 3.47Å; H785-V788 PolarHBondContact O-N 2.97Å; H785-G789 PolarHBondContact O-N 3.29Å; H785-G789 VanDerWaalsContact O-N 3.16Å; H785-D790 HydrophobicContact CB-CB 4.4Å; H785-D790 IonicContact CE1-OD2 2.8Å; H785-D790 PolarHBondContact CE1-OD2 3.49Å; H785-D790 IonicContact CG-OD2 3.87Å; H785-D790 IonicContact ND1-OD2 3.93Å; H785-D790 PolarHBondContact ND1-OD2 2.73Å; H785-D790 PolarHBondContact O-N 3.27Å; H785-A794 HydrophobicContact CB-CB 3.64Å |
| 786 | L | 76 | Confident | 75.4 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 173.8 | -73.2 | 177.2 | 0 | 0 | 0 | 113.1 | V782 V788 G789 L791 A794 V810 | V782-L786 HydrophobicContact CG1-CD1 4.11Å; V782-L786 HydrophobicContact CG1-CG 4.5Å; V782-L786 WeakPolarHBondContact O-CB 3.36Å; V782-L786 VanDerWaalsContact O-CG 3.28Å; V782-L786 WeakPolarHBondContact O-CG 3.28Å; V782-L786 PolarHBondContact O-N 3.2Å; L786-V788 VanDerWaalsContact C-N 3.33Å; L786-G789 PolarHBondContact O-N 3.04Å; L786-L791 HydrophobicContact CD2-CD2 3.85Å; L786-A794 HydrophobicContact CD2-CB 3.79Å; L786-A794 HydrophobicContact CG-CB 3.8Å; L786-V810 HydrophobicContact CD1-CG2 4.04Å; L786-V810 HydrophobicContact CD2-CB 4.41Å; L786-V810 HydrophobicContact CD2-CG1 4.3Å; L786-V810 HydrophobicContact CD2-CG2 4.06Å; L786-V810 HydrophobicContact CG-CG2 4.25Å |
| 787 | A | 75.6 | Confident | 75.2 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.2 | -34.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V757 M761 K783 A784 H785 G789 | V757-A787 HydrophobicContact CG1-CB 4.45Å; M761-A787 WeakPolarHBondContact CE-O 3.39Å; K783-A787 WeakPolarHBondContact O-CB 3.41Å; K783-A787 PolarHBondContact O-N 2.97Å; A784-A787 PolarHBondContact O-N 3.3Å; H785-A787 VanDerWaalsContact C-N 3.33Å; H785-A787 PolarHBondContact O-N 3.47Å; A787-G789 VanDerWaalsContact C-N 3.28Å |
| 788 | V | 76.9 | Confident | 74.9 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 3.7 | 177.8 | -173 | 0 | 0 | 0 | 0 | 111.9 | V757 M761 R766 A769 K770 V773 A784 H785 L786 D790 | V757-V788 HydrophobicContact CG1-CG2 3.29Å; M761-V788 HydrophobicContact CG-CG2 3.99Å; M761-V788 HydrophobicContact SD-CB 4.25Å; M761-V788 HydrophobicContact SD-CG1 4.19Å; M761-V788 HydrophobicContact SD-CG2 4Å; R766-V788 HydrophobicContact CG-CG1 3.82Å; R766-V788 PolarHBondContact NE-O 3.43Å; R766-V788 PolarHBondContact NH2-O 3.03Å; A769-V788 HydrophobicContact CB-CG2 3.94Å; K770-V788 HydrophobicContact CD-CG1 4.39Å; K770-V788 HydrophobicContact CG-CG1 3.45Å; K770-V788 VanDerWaalsContact CG-CG1 3.45Å; V773-V788 HydrophobicContact CG2-CG2 3.79Å; A784-V788 WeakPolarHBondContact O-CG2 3.41Å; A784-V788 PolarHBondContact O-N 3.18Å; H785-V788 PolarHBondContact O-N 2.97Å; L786-V788 VanDerWaalsContact C-N 3.33Å; V788-D790 VanDerWaalsContact C-N 3.28Å; V788-D790 PolarHBondContact O-N 3.45Å |
| 789 | G | 71.4 | Confident | 75.1 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 27.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R766 H785 L786 A787 | R766-G789 VanDerWaalsContact NH2-C 3.32Å; R766-G789 PolarHBondContact NH2-O 2.71Å; H785-G789 PolarHBondContact O-N 3.29Å; H785-G789 VanDerWaalsContact O-N 3.16Å; L786-G789 PolarHBondContact O-N 3.04Å; A787-G789 VanDerWaalsContact C-N 3.28Å |
| 790 | D | 79.3 | Confident | 75.3 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | trans | -96.8 | 86.7 | 175.5 | 177 | 16.1 | 0 | 0 | 0 | 109.1 | H785 V788 G793 A794 | H785-D790 HydrophobicContact CB-CB 4.4Å; H785-D790 IonicContact CE1-OD2 2.8Å; H785-D790 PolarHBondContact CE1-OD2 3.49Å; H785-D790 IonicContact CG-OD2 3.87Å; H785-D790 IonicContact ND1-OD2 3.93Å; H785-D790 PolarHBondContact ND1-OD2 2.73Å; H785-D790 PolarHBondContact O-N 3.27Å; V788-D790 VanDerWaalsContact C-N 3.28Å; V788-D790 PolarHBondContact O-N 3.45Å; D790-G793 PolarHBondContact OD1-N 3.15Å; D790-G793 VanDerWaalsContact OD1-N 3.09Å; D790-A794 WeakPolarHBondContact O-CB 3.32Å; D790-A794 PolarHBondContact O-N 3.45Å; D790-A794 VanDerWaalsContact O-N 3.11Å | ||
| 791 | L | 73.6 | Confident | 75.2 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 20% | 0.199 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.1 | -34.7 | -174.9 | -66 | 174.4 | 0 | 0 | 0 | 112.2 | L786 A794 A795 R813 L821 | L786-L791 HydrophobicContact CD2-CD2 3.85Å; L791-A794 PolarHBondContact O-N 3.17Å; L791-A795 WeakPolarHBondContact O-CB 3.42Å; L791-A795 PolarHBondContact O-N 3.49Å; L791-R813 HydrophobicContact CD2-CB 4.3Å; L791-L821 HydrophobicContact CB-CD2 3.78Å |
| 792 | E | 73.6 | Confident | 74.8 | Confident | 139 Ų | 139 | 49.7 Ų | 49.7 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66.1 | -49.7 | 177.2 | -74.5 | -174.3 | 165.4 | 0 | 0 | 111.5 | A794 A795 D796 L821 | E792-A794 VanDerWaalsContact C-N 3.29Å; E792-A794 PolarHBondContact O-N 3.4Å; E792-A795 PolarHBondContact O-N 2.96Å; E792-D796 PolarHBondContact O-N 2.97Å; E792-L821 HydrophobicContact CB-CD1 4.49Å; E792-L821 HydrophobicContact CG-CD1 3.92Å |
| 793 | G | 74.1 | Confident | 74.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -33.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D790 A797 | D790-G793 PolarHBondContact OD1-N 3.15Å; D790-G793 VanDerWaalsContact OD1-N 3.09Å; G793-A797 WeakPolarHBondContact O-CB 3.36Å; G793-A797 PolarHBondContact O-N 3.37Å; G793-A797 VanDerWaalsContact O-N 3.16Å |
| 794 | A | 73.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V782 H785 L786 D790 L791 E792 A798 V810 | V782-A794 HydrophobicContact CG1-CB 4.46Å; H785-A794 HydrophobicContact CB-CB 3.64Å; L786-A794 HydrophobicContact CD2-CB 3.79Å; L786-A794 HydrophobicContact CG-CB 3.8Å; D790-A794 WeakPolarHBondContact O-CB 3.32Å; D790-A794 PolarHBondContact O-N 3.45Å; D790-A794 VanDerWaalsContact O-N 3.11Å; L791-A794 PolarHBondContact O-N 3.17Å; E792-A794 VanDerWaalsContact C-N 3.29Å; E792-A794 PolarHBondContact O-N 3.4Å; A794-A798 WeakPolarHBondContact O-CB 3.38Å; A794-A798 PolarHBondContact O-N 3.13Å; A794-V810 HydrophobicContact CB-CG1 4.33Å; A794-V810 HydrophobicContact CB-CG2 3.94Å |
| 795 | A | 71.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L791 E792 A798 I799 V810 L821 L825 | L791-A795 WeakPolarHBondContact O-CB 3.42Å; L791-A795 PolarHBondContact O-N 3.49Å; E792-A795 PolarHBondContact O-N 2.96Å; A795-A798 PolarHBondContact O-N 3.48Å; A795-I799 WeakPolarHBondContact O-CB 3.47Å; A795-I799 WeakPolarHBondContact O-CD1 3.47Å; A795-I799 WeakPolarHBondContact O-CG1 3.48Å; A795-I799 PolarHBondContact O-N 3.11Å; A795-V810 HydrophobicContact CB-CG1 4.29Å; A795-L821 HydrophobicContact CB-CD1 3.82Å; A795-L821 HydrophobicContact CB-CD2 4.13Å; A795-L821 HydrophobicContact CB-CG 3.96Å; A795-L825 HydrophobicContact CB-CD1 3.89Å; A795-L825 HydrophobicContact CB-CD2 3.99Å; A795-L825 HydrophobicContact CB-CG 3.98Å |
| 796 | D | 77.3 | Confident | 74.1 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 179.8 | -72.8 | -17.1 | 0 | 0 | 0 | 111.9 | E792 A798 I799 E800 K824 | E792-D796 PolarHBondContact O-N 2.97Å; D796-A798 VanDerWaalsContact C-N 3.35Å; D796-A798 PolarHBondContact O-N 3.01Å; D796-I799 PolarHBondContact O-N 3.45Å; D796-E800 WeakPolarHBondContact O-CB 3.39Å; D796-E800 PolarHBondContact O-N 3.26Å; D796-K824 IonicContact OD1-NZ 3.97Å; D796-K824 PolarHBondContact OD1-NZ 3.21Å; D796-K824 IonicContact OD2-NZ 2.65Å |
| 797 | A | 73.9 | Confident | 74 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | K781 V782 G793 R801 | K781-A797 HydrophobicContact CG-CB 4.48Å; V782-A797 HydrophobicContact CG2-CB 3.9Å; G793-A797 WeakPolarHBondContact O-CB 3.36Å; G793-A797 PolarHBondContact O-N 3.37Å; G793-A797 VanDerWaalsContact O-N 3.16Å; A797-R801 PolarHBondContact O-N 3.44Å |
| 798 | A | 71.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V782 A794 A795 D796 R801 K802 E806 M807 V810 | V782-A798 HydrophobicContact CG1-CB 4.26Å; V782-A798 HydrophobicContact CG2-CB 3.86Å; A794-A798 WeakPolarHBondContact O-CB 3.38Å; A794-A798 PolarHBondContact O-N 3.13Å; A795-A798 PolarHBondContact O-N 3.48Å; D796-A798 VanDerWaalsContact C-N 3.35Å; D796-A798 PolarHBondContact O-N 3.01Å; A798-R801 PolarHBondContact O-N 3.09Å; A798-K802 PolarHBondContact O-N 3.01Å; A798-K802 VanDerWaalsContact O-N 3.17Å; A798-E806 HydrophobicContact CB-CB 4.28Å; A798-M807 HydrophobicContact CB-CG 3.91Å; A798-M807 VanDerWaalsContact O-CE 3.32Å; A798-M807 WeakPolarHBondContact O-CE 3.48Å; A798-V810 HydrophobicContact CB-CG2 4.47Å |
| 799 | I | 75.2 | Confident | 73.6 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 23% | 0.226 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 175.5 | -67 | 168.8 | 0 | 0 | 0 | 110.7 | A795 D796 R801 K802 K824 L825 A828 | A795-I799 WeakPolarHBondContact O-CB 3.47Å; A795-I799 WeakPolarHBondContact O-CD1 3.47Å; A795-I799 WeakPolarHBondContact O-CG1 3.48Å; A795-I799 PolarHBondContact O-N 3.11Å; D796-I799 PolarHBondContact O-N 3.45Å; I799-R801 VanDerWaalsContact C-N 3.33Å; I799-R801 PolarHBondContact O-N 3.28Å; I799-K802 PolarHBondContact O-N 2.97Å; I799-K802 VanDerWaalsContact O-N 3.15Å; I799-K824 HydrophobicContact CD1-CD 4.28Å; I799-K824 HydrophobicContact CD1-CG 4.03Å; I799-L825 HydrophobicContact CD1-CD2 4.29Å; I799-L825 HydrophobicContact CG1-CD2 4.1Å; I799-A828 HydrophobicContact CB-CB 4.38Å; I799-A828 HydrophobicContact CD1-CB 4.13Å; I799-A828 HydrophobicContact CG1-CB 3.64Å; I799-A828 HydrophobicContact CG2-CB 4.06Å |
| 800 | E | 77.4 | Confident | 73.7 | Confident | 157 Ų | 157 | 52 Ų | 52 | 73% | 0.734 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 179.6 | -166.8 | -179.9 | -175.1 | 0 | 0 | 112.2 | D796 | D796-E800 WeakPolarHBondContact O-CB 3.39Å; D796-E800 PolarHBondContact O-N 3.26Å |
| 801 | R | 74.3 | Confident | 73.4 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 38% | 0.377 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -80.1 | -11.8 | 176.6 | -90.7 | -172.1 | 80.2 | -153.9 | 12.1 | 115.2 | P778 E779 A797 A798 I799 N803 E806 | P778-R801 WeakPolarHBondContact O-CD 3.33Å; E779-R801 VanDerWaalsContact CA-NH1 3.28Å; E779-R801 PolarHBondContact O-NH1 3.36Å; E779-R801 VanDerWaalsContact O-NH1 3.13Å; A797-R801 PolarHBondContact O-N 3.44Å; A798-R801 PolarHBondContact O-N 3.09Å; I799-R801 VanDerWaalsContact C-N 3.33Å; I799-R801 PolarHBondContact O-N 3.28Å; R801-N803 PolarHBondContact O-N 3.43Å; R801-N803 VanDerWaalsContact O-N 3.17Å; R801-E806 IonicContact CZ-OE1 2.93Å; R801-E806 IonicContact CZ-OE2 2.86Å; R801-E806 IonicContact NH1-OE1 2.73Å; R801-E806 PolarHBondContact NH1-OE1 3.49Å; R801-E806 IonicContact NH1-OE2 3.06Å; R801-E806 PolarHBondContact NH1-OE2 3.42Å |
| 802 | K | 70.2 | Confident | 73.5 | Confident | 157 Ų | 157 | 53.5 Ų | 53.5 | 68% | 0.683 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 30.8 | -176.3 | -56.2 | -178.9 | -179.3 | 178.3 | 0 | 113.8 | A798 I799 A832 | A798-K802 PolarHBondContact O-N 3.01Å; A798-K802 VanDerWaalsContact O-N 3.17Å; I799-K802 PolarHBondContact O-N 2.97Å; I799-K802 VanDerWaalsContact O-N 3.15Å; K802-A832 HydrophobicContact CB-CB 4.39Å |
| 803 | N | 73.6 | Confident | 73.3 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | trans | -92.8 | 110.2 | 179.5 | -174.5 | -12.4 | 0 | 0 | 0 | 110.6 | R801 A805 E806 M807 | R801-N803 PolarHBondContact O-N 3.43Å; R801-N803 VanDerWaalsContact O-N 3.17Å; N803-A805 VanDerWaalsContact C-N 3.31Å; N803-A805 PolarHBondContact O-N 3.12Å; N803-A805 PolarHBondContact OD1-N 3.34Å; N803-E806 HydrophobicContact CB-CB 4.16Å; N803-E806 HydrophobicContact CB-CG 4.3Å; N803-E806 PolarHBondContact ND2-OE1 3.21Å; N803-E806 VanDerWaalsContact ND2-OE1 3.1Å; N803-E806 PolarHBondContact O-N 3.28Å; N803-M807 WeakPolarHBondContact O-CG 3.35Å; N803-M807 PolarHBondContact O-N 3.18Å; N803-M807 VanDerWaalsContact O-N 3.14Å | ||
| 804 | E | 73.1 | Confident | 73.1 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -36.1 | -173.7 | -147.7 | -167.4 | 153.6 | 0 | 0 | 113.2 | M807 G808 R829 | E804-M807 PolarHBondContact O-N 3.34Å; E804-G808 PolarHBondContact O-N 3.16Å; E804-R829 HydrophobicContact CG-CG 3.31Å; E804-R829 IonicContact OE1-CZ 3.9Å; E804-R829 IonicContact OE1-NE 2.74Å; E804-R829 PolarHBondContact OE1-NE 2.74Å; E804-R829 IonicContact OE1-NH2 2.67Å; E804-R829 PolarHBondContact OE1-NH2 2.67Å |
| 805 | A | 73 | Confident | 72.8 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.5 | -35.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N803 G808 A809 | N803-A805 VanDerWaalsContact C-N 3.31Å; N803-A805 PolarHBondContact O-N 3.12Å; N803-A805 PolarHBondContact OD1-N 3.34Å; A805-G808 PolarHBondContact O-N 2.72Å; A805-A809 PolarHBondContact O-N 3.02Å |
| 806 | E | 72.1 | Confident | 72.4 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.3 | -38.9 | 177.1 | -75.3 | 172 | -167.5 | 0 | 0 | 111.3 | V782 A798 R801 N803 G808 A809 V810 | V782-E806 HydrophobicContact CG1-CB 4.23Å; V782-E806 HydrophobicContact CG2-CB 4.38Å; A798-E806 HydrophobicContact CB-CB 4.28Å; R801-E806 IonicContact CZ-OE1 2.93Å; R801-E806 IonicContact CZ-OE2 2.86Å; R801-E806 IonicContact NH1-OE1 2.73Å; R801-E806 PolarHBondContact NH1-OE1 3.49Å; R801-E806 IonicContact NH1-OE2 3.06Å; R801-E806 PolarHBondContact NH1-OE2 3.42Å; N803-E806 HydrophobicContact CB-CB 4.16Å; N803-E806 HydrophobicContact CB-CG 4.3Å; N803-E806 PolarHBondContact ND2-OE1 3.21Å; N803-E806 VanDerWaalsContact ND2-OE1 3.1Å; N803-E806 PolarHBondContact O-N 3.28Å; E806-G808 VanDerWaalsContact C-N 3.33Å; E806-G808 PolarHBondContact O-N 3.29Å; E806-A809 PolarHBondContact O-N 3.28Å; E806-V810 WeakPolarHBondContact O-CG2 3.16Å; E806-V810 PolarHBondContact O-N 3.09Å; E806-V810 VanDerWaalsContact O-N 3.13Å |
| 807 | M | 73.3 | Confident | 71.8 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 172.5 | -63.7 | -177.6 | -156.5 | 0 | 0 | 111.9 | A798 N803 E804 V810 L811 L825 A828 R829 A832 | A798-M807 HydrophobicContact CB-CG 3.91Å; A798-M807 VanDerWaalsContact O-CE 3.32Å; A798-M807 WeakPolarHBondContact O-CE 3.48Å; N803-M807 WeakPolarHBondContact O-CG 3.35Å; N803-M807 PolarHBondContact O-N 3.18Å; N803-M807 VanDerWaalsContact O-N 3.14Å; E804-M807 PolarHBondContact O-N 3.34Å; M807-V810 PolarHBondContact O-N 3.48Å; M807-L811 WeakPolarHBondContact O-CG 3.48Å; M807-L811 PolarHBondContact O-N 3.21Å; M807-L811 VanDerWaalsContact O-N 3.11Å; M807-L825 HydrophobicContact CB-CD2 4.09Å; M807-L825 HydrophobicContact CG-CD2 4.09Å; M807-A828 HydrophobicContact CE-CB 4.39Å; M807-A828 HydrophobicContact SD-CB 4.02Å; M807-R829 HydrophobicContact SD-CB 4.15Å; M807-R829 HydrophobicContact SD-CG 4.39Å; M807-A832 HydrophobicContact CE-CB 4.5Å |
| 808 | G | 71.3 | Confident | 71.5 | Confident | 24 Ų | 24 | 65 Ų | 65 | 25% | 0.247 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E804 A805 E806 L811 S812 | E804-G808 PolarHBondContact O-N 3.16Å; A805-G808 PolarHBondContact O-N 2.72Å; E806-G808 VanDerWaalsContact C-N 3.33Å; E806-G808 PolarHBondContact O-N 3.29Å; G808-L811 PolarHBondContact O-N 2.75Å; G808-S812 PolarHBondContact O-N 2.8Å; G808-S812 VanDerWaalsContact O-N 3.09Å |
| 809 | A | 73.7 | Confident | 71.3 | Confident | 42 Ų | 42 | 74.2 Ų | 74.2 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A805 E806 S812 | A805-A809 PolarHBondContact O-N 3.02Å; E806-A809 PolarHBondContact O-N 3.28Å; A809-S812 PolarHBondContact O-N 2.79Å; A809-S812 PolarHBondContact O-OG 3.41Å |
| 810 | V | 73.4 | Confident | 71 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | V782 L786 A794 A795 A798 E806 M807 S812 R813 C814 L825 | V782-V810 HydrophobicContact CG1-CG2 3.69Å; L786-V810 HydrophobicContact CD1-CG2 4.04Å; L786-V810 HydrophobicContact CD2-CB 4.41Å; L786-V810 HydrophobicContact CD2-CG1 4.3Å; L786-V810 HydrophobicContact CD2-CG2 4.06Å; L786-V810 HydrophobicContact CG-CG2 4.25Å; A794-V810 HydrophobicContact CB-CG1 4.33Å; A794-V810 HydrophobicContact CB-CG2 3.94Å; A795-V810 HydrophobicContact CB-CG1 4.29Å; A798-V810 HydrophobicContact CB-CG2 4.47Å; E806-V810 WeakPolarHBondContact O-CG2 3.16Å; E806-V810 PolarHBondContact O-N 3.09Å; E806-V810 VanDerWaalsContact O-N 3.13Å; M807-V810 PolarHBondContact O-N 3.48Å; V810-S812 VanDerWaalsContact C-N 3.27Å; V810-S812 PolarHBondContact O-N 3.11Å; V810-R813 PolarHBondContact O-N 2.91Å; V810-R813 VanDerWaalsContact O-N 3.07Å; V810-C814 PolarHBondContact O-N 3.03Å; V810-C814 PolarHBondContact O-SG 2.93Å; V810-L825 HydrophobicContact CB-CD1 4.01Å; V810-L825 HydrophobicContact CG1-CD1 3.63Å |
| 811 | L | 72.5 | Confident | 70.7 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.8 | -39 | 176.4 | -78.1 | 165.6 | 0 | 0 | 0 | 112.8 | M807 G808 R813 C814 M822 L825 N826 | M807-L811 WeakPolarHBondContact O-CG 3.48Å; M807-L811 PolarHBondContact O-N 3.21Å; M807-L811 VanDerWaalsContact O-N 3.11Å; G808-L811 PolarHBondContact O-N 2.75Å; L811-R813 PolarHBondContact O-N 3.16Å; L811-C814 PolarHBondContact O-N 3.22Å; L811-M822 HydrophobicContact CD2-CB 4.06Å; L811-M822 HydrophobicContact CD2-CG 4.09Å; L811-M822 HydrophobicContact CD2-SD 3.49Å; L811-M822 WeakPolarHBondContact CD2-SD 3.38Å; L811-L825 HydrophobicContact CD1-CB 4.25Å; L811-L825 HydrophobicContact CD2-CB 3.88Å; L811-L825 HydrophobicContact CD2-CD1 4.15Å; L811-L825 HydrophobicContact CG-CB 3.96Å; L811-L825 HydrophobicContact CG-CD1 4.07Å; L811-N826 WeakPolarHBondContact CD1-OD1 3.49Å |
| 812 | S | 74.8 | Confident | 70.4 | Confident | 97 Ų | 97 | 71.2 Ų | 71.2 | 68% | 0.678 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.5 | 179.7 | 74.6 | 0 | 0 | 0 | 0 | 114.6 | G808 A809 V810 | G808-S812 PolarHBondContact O-N 2.8Å; G808-S812 VanDerWaalsContact O-N 3.09Å; A809-S812 PolarHBondContact O-N 2.79Å; A809-S812 PolarHBondContact O-OG 3.41Å; V810-S812 VanDerWaalsContact C-N 3.27Å; V810-S812 PolarHBondContact O-N 3.11Å |
| 813 | R | 70.1 | Confident | 70.5 | Confident | 159 Ų | 159 | 67.5 Ų | 67.5 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -4.6 | 177.5 | -71.6 | -157.2 | 177.7 | 170.4 | 0.5 | 113.9 | L791 V810 L811 | L791-R813 HydrophobicContact CD2-CB 4.3Å; V810-R813 PolarHBondContact O-N 2.91Å; V810-R813 VanDerWaalsContact O-N 3.07Å; L811-R813 PolarHBondContact O-N 3.16Å |
| 814 | C | 70.4 | Confident | 70.6 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | trans | -73.5 | 137.8 | 173.3 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | V810 L811 D818 M822 | V810-C814 PolarHBondContact O-N 3.03Å; V810-C814 PolarHBondContact O-SG 2.93Å; L811-C814 PolarHBondContact O-N 3.22Å; C814-D818 HydrophobicContact CB-CB 4.06Å; C814-M822 HydrophobicContact CB-CG 3.77Å; C814-M822 HydrophobicContact CB-SD 3.63Å | ||
| 815 | S | 67 | Low | 70.5 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 46% | 0.462 | 38% | 0.377 | S | S | . | . | trans | -100.9 | 175.4 | 174.1 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | S817 D818 | S815-S817 PolarHBondContact O-N 3.37Å; S815-S817 PolarHBondContact OG-OG 3.25Å; S815-D818 PolarHBondContact N-OD2 3.24Å; S815-D818 PolarHBondContact O-N 3.45Å; S815-D818 PolarHBondContact OG-OD2 3.07Å | ||
| 816 | A | 62.1 | Low | 70.5 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 84% | 0.843 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D818 | A816-D818 VanDerWaalsContact C-N 3.34Š|
| 817 | S | 64.1 | Low | 70.6 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 66% | 0.657 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -20.6 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | S815 R819 | S815-S817 PolarHBondContact O-N 3.37Å; S815-S817 PolarHBondContact OG-OG 3.25Å; S817-R819 VanDerWaalsContact C-N 3.29Å; S817-R819 PolarHBondContact O-N 3.3Å |
| 818 | D | 68.7 | Low | 70.3 | Confident | 41 Ų | 41 | 74.2 Ų | 74.2 | 22% | 0.219 | 40% | 0.398 | C | S | . | . | trans | -97.4 | 31.4 | -170.4 | -49.1 | -41.1 | 0 | 0 | 0 | 111.9 | C814 S815 A816 L820 L821 M822 | C814-D818 HydrophobicContact CB-CB 4.06Å; S815-D818 PolarHBondContact N-OD2 3.24Å; S815-D818 PolarHBondContact O-N 3.45Å; S815-D818 PolarHBondContact OG-OD2 3.07Å; A816-D818 VanDerWaalsContact C-N 3.34Å; D818-L820 VanDerWaalsContact C-N 3.3Å; D818-L820 PolarHBondContact O-N 3.33Å; D818-L821 HydrophobicContact CB-CB 4.32Å; D818-L821 WeakPolarHBondContact O-CB 3.49Å; D818-L821 PolarHBondContact O-N 3.41Å; D818-M822 WeakPolarHBondContact O-CG 3.47Å; D818-M822 PolarHBondContact O-N 3.24Å | ||
| 819 | R | 67.4 | Low | 70.2 | Confident | 195 Ų | 195 | 77.7 Ų | 77.7 | 74% | 0.736 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.2 | -38.3 | -170.3 | -161.3 | 174.7 | -178.4 | 174.5 | 1.1 | 113.2 | S817 M822 D823 | S817-R819 VanDerWaalsContact C-N 3.29Å; S817-R819 PolarHBondContact O-N 3.3Å; R819-M822 PolarHBondContact O-N 2.95Å; R819-D823 PolarHBondContact O-N 3.41Å; R819-D823 VanDerWaalsContact O-N 3.08Å |
| 820 | L | 69 | Low | 69.9 | Low | 152 Ų | 152 | 80 Ų | 80 | 80% | 0.796 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.5 | -36 | 176.6 | -70.1 | 170.7 | 0 | 0 | 0 | 112.5 | D818 K824 | D818-L820 VanDerWaalsContact C-N 3.3Å; D818-L820 PolarHBondContact O-N 3.33Å; L820-K824 WeakPolarHBondContact O-CB 3.49Å; L820-K824 PolarHBondContact O-N 3.5Å; L820-K824 VanDerWaalsContact O-N 3.14Å |
| 821 | L | 71.6 | Confident | 69.6 | Low | 20 Ų | 20 | 84.9 Ų | 84.9 | 11% | 0.105 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -72.2 | -40 | 178 | -159.7 | 79 | 0 | 0 | 0 | 111.1 | L791 E792 A795 D818 K824 L825 | L791-L821 HydrophobicContact CB-CD2 3.78Å; E792-L821 HydrophobicContact CB-CD1 4.49Å; E792-L821 HydrophobicContact CG-CD1 3.92Å; A795-L821 HydrophobicContact CB-CD1 3.82Å; A795-L821 HydrophobicContact CB-CD2 4.13Å; A795-L821 HydrophobicContact CB-CG 3.96Å; D818-L821 HydrophobicContact CB-CB 4.32Å; D818-L821 WeakPolarHBondContact O-CB 3.49Å; D818-L821 PolarHBondContact O-N 3.41Å; L821-K824 PolarHBondContact O-N 2.93Å; L821-L825 HydrophobicContact CG-CD1 4.44Å; L821-L825 PolarHBondContact O-N 3.19Å |
| 822 | M | 68 | Low | 69 | Low | 65 Ų | 65 | 84.7 Ų | 84.7 | 32% | 0.32 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 174.7 | -69.6 | -106.2 | -78.2 | 0 | 0 | 111.7 | L811 C814 D818 R819 L825 N826 | L811-M822 HydrophobicContact CD2-CB 4.06Å; L811-M822 HydrophobicContact CD2-CG 4.09Å; L811-M822 HydrophobicContact CD2-SD 3.49Å; L811-M822 WeakPolarHBondContact CD2-SD 3.38Å; C814-M822 HydrophobicContact CB-CG 3.77Å; C814-M822 HydrophobicContact CB-SD 3.63Å; D818-M822 WeakPolarHBondContact O-CG 3.47Å; D818-M822 PolarHBondContact O-N 3.24Å; R819-M822 PolarHBondContact O-N 2.95Å; M822-L825 PolarHBondContact O-N 2.8Å; M822-N826 WeakPolarHBondContact O-CB 3.28Å; M822-N826 VanDerWaalsContact O-CG 3.31Å; M822-N826 PolarHBondContact O-N 2.93Å; M822-N826 PolarHBondContact O-ND2 3.39Å |
| 823 | D | 71.9 | Confident | 68.3 | Low | 79 Ų | 79 | 82.9 Ų | 82.9 | 42% | 0.422 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 176.5 | -77.9 | -14.8 | 0 | 0 | 0 | 112.1 | R819 R827 | R819-D823 PolarHBondContact O-N 3.41Å; R819-D823 VanDerWaalsContact O-N 3.08Å; D823-R827 WeakPolarHBondContact O-CG 3.38Å; D823-R827 PolarHBondContact O-N 3.44Å; D823-R827 VanDerWaalsContact O-N 3.1Å |
| 824 | K | 75.8 | Confident | 67.7 | Low | 103 Ų | 103 | 83.8 Ų | 83.8 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 176.9 | -166 | -175.9 | -176.2 | -171.1 | 0 | 111.7 | D796 I799 L820 L821 A828 | D796-K824 IonicContact OD1-NZ 3.97Å; D796-K824 PolarHBondContact OD1-NZ 3.21Å; D796-K824 IonicContact OD2-NZ 2.65Å; I799-K824 HydrophobicContact CD1-CD 4.28Å; I799-K824 HydrophobicContact CD1-CG 4.03Å; L820-K824 WeakPolarHBondContact O-CB 3.49Å; L820-K824 PolarHBondContact O-N 3.5Å; L820-K824 VanDerWaalsContact O-N 3.14Å; L821-K824 PolarHBondContact O-N 2.93Å; K824-A828 PolarHBondContact O-N 2.92Å |
| 825 | L | 70.8 | Confident | 66.7 | Low | 0 Ų | 0 | 95 Ų | 95 | 0% | 0 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 177.8 | -79.1 | 163.3 | 0 | 0 | 0 | 112.4 | A795 I799 M807 V810 L811 L821 M822 R827 A828 R829 | A795-L825 HydrophobicContact CB-CD1 3.89Å; A795-L825 HydrophobicContact CB-CD2 3.99Å; A795-L825 HydrophobicContact CB-CG 3.98Å; I799-L825 HydrophobicContact CD1-CD2 4.29Å; I799-L825 HydrophobicContact CG1-CD2 4.1Å; M807-L825 HydrophobicContact CB-CD2 4.09Å; M807-L825 HydrophobicContact CG-CD2 4.09Å; V810-L825 HydrophobicContact CB-CD1 4.01Å; V810-L825 HydrophobicContact CG1-CD1 3.63Å; L811-L825 HydrophobicContact CD1-CB 4.25Å; L811-L825 HydrophobicContact CD2-CB 3.88Å; L811-L825 HydrophobicContact CD2-CD1 4.15Å; L811-L825 HydrophobicContact CG-CB 3.96Å; L811-L825 HydrophobicContact CG-CD1 4.07Å; L821-L825 HydrophobicContact CG-CD1 4.44Å; L821-L825 PolarHBondContact O-N 3.19Å; M822-L825 PolarHBondContact O-N 2.8Å; L825-R827 VanDerWaalsContact C-N 3.33Å; L825-R827 PolarHBondContact O-N 3.29Å; L825-A828 PolarHBondContact O-N 2.89Å; L825-R829 WeakPolarHBondContact O-CB 3.33Å; L825-R829 PolarHBondContact O-N 3.28Å |
| 826 | N | 73.3 | Confident | 66.7 | Low | 73 Ų | 73 | 96.5 Ų | 96.5 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 177.8 | -77.7 | -30.7 | 0 | 0 | 0 | 112.3 | L811 M822 R829 V830 | L811-N826 WeakPolarHBondContact CD1-OD1 3.49Å; M822-N826 WeakPolarHBondContact O-CB 3.28Å; M822-N826 VanDerWaalsContact O-CG 3.31Å; M822-N826 PolarHBondContact O-N 2.93Å; M822-N826 PolarHBondContact O-ND2 3.39Å; N826-R829 PolarHBondContact O-N 2.97Å; N826-V830 WeakPolarHBondContact O-CG2 3.38Å; N826-V830 PolarHBondContact O-N 3.25Å |
| 827 | R | 72.9 | Confident | 66.9 | Low | 189 Ų | 189 | 96.2 Ų | 96.2 | 71% | 0.713 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 174.7 | -73.1 | 177.6 | -173.8 | -174.9 | 3.7 | 112.6 | D823 L825 R829 T831 | D823-R827 WeakPolarHBondContact O-CG 3.38Å; D823-R827 PolarHBondContact O-N 3.44Å; D823-R827 VanDerWaalsContact O-N 3.1Å; L825-R827 VanDerWaalsContact C-N 3.33Å; L825-R827 PolarHBondContact O-N 3.29Å; R827-R829 VanDerWaalsContact C-N 3.31Å; R827-R829 PolarHBondContact O-N 3.01Å; R827-T831 PolarHBondContact O-N 2.98Å; R827-T831 PolarHBondContact O-OG1 2.92Å |
| 828 | A | 68.4 | Low | 67.1 | Low | 14 Ų | 14 | 96.3 Ų | 96.3 | 12% | 0.116 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I799 M807 K824 L825 T831 A832 | I799-A828 HydrophobicContact CB-CB 4.38Å; I799-A828 HydrophobicContact CD1-CB 4.13Å; I799-A828 HydrophobicContact CG1-CB 3.64Å; I799-A828 HydrophobicContact CG2-CB 4.06Å; M807-A828 HydrophobicContact CE-CB 4.39Å; M807-A828 HydrophobicContact SD-CB 4.02Å; K824-A828 PolarHBondContact O-N 2.92Å; L825-A828 PolarHBondContact O-N 2.89Å; A828-T831 VanDerWaalsContact CA-OG1 3.28Å; A828-T831 WeakPolarHBondContact CA-OG1 3.38Å; A828-T831 PolarHBondContact O-N 2.65Å; A828-T831 PolarHBondContact O-OG1 3.47Å; A828-A832 PolarHBondContact O-N 2.96Å |
| 829 | R | 67.3 | Low | 67 | Low | 96 Ų | 96 | 99.6 Ų | 99.6 | 36% | 0.362 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 178.2 | -152.9 | -178.6 | 140.4 | -173.6 | -4.8 | 112.5 | E804 M807 L825 N826 R827 T831 A832 A833 | E804-R829 HydrophobicContact CG-CG 3.31Å; E804-R829 IonicContact OE1-CZ 3.9Å; E804-R829 IonicContact OE1-NE 2.74Å; E804-R829 PolarHBondContact OE1-NE 2.74Å; E804-R829 IonicContact OE1-NH2 2.67Å; E804-R829 PolarHBondContact OE1-NH2 2.67Å; M807-R829 HydrophobicContact SD-CB 4.15Å; M807-R829 HydrophobicContact SD-CG 4.39Å; L825-R829 WeakPolarHBondContact O-CB 3.33Å; L825-R829 PolarHBondContact O-N 3.28Å; N826-R829 PolarHBondContact O-N 2.97Å; R827-R829 VanDerWaalsContact C-N 3.31Å; R827-R829 PolarHBondContact O-N 3.01Å; R829-T831 PolarHBondContact O-N 3.14Å; R829-A832 PolarHBondContact O-N 3.1Å; R829-A833 PolarHBondContact O-N 3.3Å; R829-A833 VanDerWaalsContact O-N 3.12Å |
| 830 | V | 69.3 | Low | 66.9 | Low | 91 Ų | 91 | 93.6 Ų | 93.6 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.6 | -30 | 175.1 | 173 | 0 | 0 | 0 | 0 | 112.2 | N826 | N826-V830 WeakPolarHBondContact O-CG2 3.38Å; N826-V830 PolarHBondContact O-N 3.25Å |
| 831 | T | 66.3 | Low | 66.8 | Low | 103 Ų | 103 | 89.7 Ų | 89.7 | 63% | 0.632 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -81.9 | -30.7 | 177.1 | 28.2 | 0 | 0 | 0 | 0 | 113.2 | R827 A828 R829 | R827-T831 PolarHBondContact O-N 2.98Å; R827-T831 PolarHBondContact O-OG1 2.92Å; A828-T831 VanDerWaalsContact CA-OG1 3.28Å; A828-T831 WeakPolarHBondContact CA-OG1 3.38Å; A828-T831 PolarHBondContact O-N 2.65Å; A828-T831 PolarHBondContact O-OG1 3.47Å; R829-T831 PolarHBondContact O-N 3.14Å |
| 832 | A | 60.6 | Low | 66.5 | Low | 20 Ų | 20 | 94.7 Ų | 94.7 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K802 M807 A828 R829 K834 | K802-A832 HydrophobicContact CB-CB 4.39Å; M807-A832 HydrophobicContact CE-CB 4.5Å; A828-A832 PolarHBondContact O-N 2.96Å; R829-A832 PolarHBondContact O-N 3.1Å; A832-K834 PolarHBondContact O-N 3.08Å; A832-K834 VanDerWaalsContact O-N 3.16Å |
| 833 | A | 58.8 | Low | 66.3 | Low | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -3.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R829 | R829-A833 PolarHBondContact O-N 3.3Å; R829-A833 VanDerWaalsContact O-N 3.12Å |
| 834 | K | 58.5 | Low | 65.9 | Low | 177 Ų | 177 | 98.5 Ų | 98.5 | 77% | 0.77 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 8.5 | -180 | -80.9 | -175.5 | 174 | -178 | 0 | 114 | A832 | A832-K834 PolarHBondContact O-N 3.08Å; A832-K834 VanDerWaalsContact O-N 3.16Å |
| 835 | K | 48.5 | Very low | 65 | Low | 256 Ų | 256 | 98.1 Ų | 98.1 | 100% | 1.113 | 48% | 0.483 | S | S | * | . | trans | -141.6 | 0 | 172 | -86.8 | -173.1 | 172.8 | -175.7 | 0 | 109.1 |
Retrieved 835 of 835 residues in 519 ms
(Link to these results)