| 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 | 40.5 | Very low | 79.9 | Confident | 239 Ų | 239 | 104.3 Ų | 104.3 | 100% | 1.177 | 52% | 0.522 | S | S | * | . | 0 | 120.2 | 0 | -69.8 | -178.7 | -172.2 | 0 | 0 | 107.3 | T3 | M1-T3 PolarHBondContact O-N 3.14Å; M1-T3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | A | 44.7 | Very low | 81.5 | Confident | 104 Ų | 104 | 99.3 Ų | 99.3 | 86% | 0.86 | 49% | 0.493 | S | S | * | . | trans | -66.4 | 109.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | R4 | A2-R4 PolarHBondContact O-N 2.82Š| ||
| 3 | T | 56.8 | Low | 82.8 | Confident | 141 Ų | 141 | 91.7 Ų | 91.7 | 87% | 0.865 | 46% | 0.455 | S | S | * | . | trans | -60.4 | 108.9 | 172.8 | 3.5 | 0 | 0 | 0 | 0 | 107.5 | M1 Q5 | M1-T3 PolarHBondContact O-N 3.14Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-Q5 PolarHBondContact O-N 3.01Å; T3-Q5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | R | 68.7 | Low | 83.9 | Confident | 244 Ų | 244 | 92.7 Ų | 92.7 | 92% | 0.921 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 119.5 | 176.2 | -134.4 | 177.7 | -172 | -177.5 | 1.5 | 107.6 | A2 K6 | A2-R4 PolarHBondContact O-N 2.82Å; R4-K6 PolarHBondContact O-N 3.03Å |
| 5 | Q | 81.8 | Confident | 84.9 | Confident | 129 Ų | 129 | 95.3 Ų | 95.3 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 124.2 | -179.4 | -168.2 | 166.7 | 22.6 | 0 | 0 | 109.2 | T3 A29 | T3-Q5 PolarHBondContact O-N 3.01Å; T3-Q5 VanDerWaalsContact O-N 3.14Å; Q5-A29 HydrophobicContact CG-CB 3.95Å |
| 6 | K | 93.6 | Very high | 85.8 | Confident | 117 Ų | 117 | 93.5 Ų | 93.5 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 140 | -179.2 | -171.4 | 178.4 | -179.4 | -178 | 0 | 109.6 | R4 V30 Y106 | R4-K6 PolarHBondContact O-N 3.03Å; K6-V30 HydrophobicContact CB-CB 4.26Å; K6-V30 HydrophobicContact CB-CG2 3.97Å; K6-V30 HydrophobicContact CD-CG2 4.19Å; K6-V30 HydrophobicContact CG-CG2 3.94Å; K6-V30 WeakPolarHBondContact O-CG2 3.45Å; K6-V30 PolarHBondContact O-N 3.28Å; K6-Y106 PolarHBondContact NZ-OH 3.06Å |
| 7 | L | 97.9 | Very high | 86.5 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 52% | 0.524 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 155.2 | 175.5 | -55.1 | -179.9 | 0 | 0 | 0 | 110.5 | D27 I28 | L7-D27 HydrophobicContact CD1-CB 4.38Å; L7-I28 CarbonylContact C-O 3.53Å; L7-I28 WeakPolarHBondContact CA-O 3.45Å |
| 8 | M | 98.4 | Very high | 87.2 | Confident | 9 Ų | 9 | 85.4 Ų | 85.4 | 4% | 0.044 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 160.9 | 178.7 | 66.9 | 173.1 | -174.1 | 0 | 0 | 112.3 | A10 S26 I28 V30 P31 A104 E105 Y106 | M8-A10 HydrophobicContact CE-CB 4.32Å; M8-S26 CarbonylContact O-C 3.56Å; M8-I28 HydrophobicContact CE-CB 4.48Å; M8-I28 HydrophobicContact CE-CG2 3.9Å; M8-I28 HydrophobicContact CG-CB 4.26Å; M8-I28 WeakPolarHBondContact CG-O 3.43Å; M8-I28 PolarHBondContact N-O 3.37Å; M8-I28 PolarHBondContact O-N 2.76Å; M8-V30 HydrophobicContact CB-CG2 3.84Å; M8-V30 HydrophobicContact CG-CG2 4.03Å; M8-V30 HydrophobicContact SD-CG2 4.22Å; M8-P31 HydrophobicContact CE-CG 4.44Å; M8-A104 HydrophobicContact CE-CB 4.02Å; M8-A104 HydrophobicContact SD-CB 4.27Å; M8-E105 WeakPolarHBondContact CA-OE2 3.27Å; M8-E105 HydrophobicContact CB-CB 4.26Å; M8-Y106 HydrophobicContact CB-CD2 4.12Å; M8-Y106 HydrophobicContact SD-CD2 4.02Å; M8-Y106 HydrophobicContact SD-CG 4.38Å |
| 9 | R | 98.8 | Very high | 87.8 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 24% | 0.242 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.6 | 165 | -66.2 | -179.7 | -62.3 | 151.3 | 9.1 | 111.6 | L24 Q25 A104 E105 L305 E306 L329 | R9-L24 HydrophobicContact CB-CD1 4.31Å; R9-Q25 CarbonylContact C-O 3.57Å; R9-Q25 WeakPolarHBondContact CA-O 3.44Å; R9-A104 WeakPolarHBondContact O-CA 3.26Å; R9-E105 HydrophobicContact CB-CG 4.07Å; R9-E105 IonicContact CZ-OE1 3.96Å; R9-E105 VanDerWaalsContact CZ-OE1 3.27Å; R9-E105 PolarHBondContact N-OE2 3.42Å; R9-E105 IonicContact NE-OE1 3.96Å; R9-E105 PolarHBondContact NE-OE1 3.41Å; R9-E105 IonicContact NH2-OE1 2.63Å; R9-E105 PolarHBondContact NH2-OE1 3.48Å; R9-E105 PolarHBondContact O-N 3.08Å; R9-L305 HydrophobicContact CB-CD2 4.4Å; R9-E306 IonicContact CZ-OE1 2.85Å; R9-E306 IonicContact NH1-OE1 3.63Å; R9-E306 PolarHBondContact NH1-OE1 3.5Å; R9-L329 PolarHBondContact NH2-OXT 3.14Å |
| 10 | A | 98.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 148.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M8 Q25 I28 Y103 A104 | M8-A10 HydrophobicContact CE-CB 4.32Å; A10-Q25 PolarHBondContact N-O 3.14Å; A10-Q25 PolarHBondContact O-N 2.81Å; A10-I28 HydrophobicContact CB-CB 4.42Å; A10-I28 HydrophobicContact CB-CG1 4.11Å; A10-Y103 WeakPolarHBondContact CA-O 3.38Å; A10-A104 HydrophobicContact CB-CB 3.56Å |
| 11 | V | 98.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 135.7 | 168.4 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | L22 K23 L24 T68 Y103 L305 V308 | V11-L22 HydrophobicContact CG1-CB 4.02Å; V11-L22 HydrophobicContact CG1-CD2 3.71Å; V11-K23 CarbonylContact C-O 3.52Å; V11-K23 WeakPolarHBondContact CA-O 3.35Å; V11-L24 HydrophobicContact CG2-CD1 4.37Å; V11-T68 WeakPolarHBondContact O-CA 3.33Å; V11-T68 VanDerWaalsContact O-CB 3.25Å; V11-T68 WeakPolarHBondContact O-CB 3.44Å; V11-T68 VanDerWaalsContact O-CG2 3.25Å; V11-T68 WeakPolarHBondContact O-CG2 3.4Å; V11-T68 PolarHBondContact O-OG1 3.47Å; V11-Y103 HydrophobicContact CB-CD2 4.36Å; V11-Y103 HydrophobicContact CG1-CD2 4.45Å; V11-Y103 PolarHBondContact N-O 3.31Å; V11-L305 HydrophobicContact CG2-CD1 3.7Å; V11-L305 HydrophobicContact CG2-CG 3.98Å; V11-V308 HydrophobicContact CG1-CG1 4.01Å; V11-V308 HydrophobicContact CG1-CG2 4.47Å; V11-V308 HydrophobicContact CG2-CB 4.13Å; V11-V308 HydrophobicContact CG2-CG1 3.73Å; V11-V308 HydrophobicContact CG2-CG2 4.28Å |
| 12 | R | 98.8 | Very high | 91.6 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.3 | -179.1 | -57.6 | -61.2 | -70.3 | 162.6 | 0.4 | 109.9 | F14 K23 Q25 I28 P66 Y67 T68 | R12-F14 HydrophobicContact CB-CD2 4.27Å; R12-F14 HydrophobicContact CB-CE2 3.57Å; R12-F14 HydrophobicContact CB-CZ 3.89Å; R12-F14 HydrophobicContact CG-CZ 4.47Å; R12-K23 PolarHBondContact N-O 2.86Å; R12-K23 PolarHBondContact O-N 2.99Å; R12-Q25 HydrophobicContact CB-CG 4.11Å; R12-Q25 HydrophobicContact CG-CB 4.01Å; R12-Q25 HydrophobicContact CG-CG 3.59Å; R12-I28 HydrophobicContact CG-CD1 4.11Å; R12-I28 HydrophobicContact CG-CG1 4.41Å; R12-P66 PolarHBondContact NH2-O 3.17Å; R12-Y67 WeakPolarHBondContact CA-O 3.08Å; R12-T68 VanDerWaalsContact CD-OG1 3.27Å; R12-T68 WeakPolarHBondContact CD-OG1 3.2Å; R12-T68 PolarHBondContact NH1-OG1 2.63Å |
| 13 | V | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 113.1 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | E15 V21 L22 R55 L65 P66 Y67 P69 | V13-E15 WeakPolarHBondContact CG1-O 3.46Å; V13-V21 HydrophobicContact CG1-CG2 3.87Å; V13-L22 HydrophobicContact CG2-CD2 3.78Å; V13-R55 HydrophobicContact CG2-CG 4.45Å; V13-L65 HydrophobicContact CG1-CD2 3.98Å; V13-L65 WeakPolarHBondContact O-CD2 3.36Å; V13-P66 WeakPolarHBondContact O-CA 3.34Å; V13-P66 WeakPolarHBondContact O-CB 3.4Å; V13-Y67 HydrophobicContact CB-CD1 4Å; V13-Y67 HydrophobicContact CB-CE1 3.58Å; V13-Y67 HydrophobicContact CG1-CD1 4.34Å; V13-Y67 HydrophobicContact CG1-CE1 3.6Å; V13-Y67 HydrophobicContact CG2-CE1 4.22Å; V13-Y67 PolarHBondContact N-O 2.63Å; V13-Y67 PolarHBondContact O-N 3.15Å; V13-Y67 VanDerWaalsContact O-N 3.16Å; V13-P69 HydrophobicContact CG2-CG 3.9Å |
| 14 | F | 98.7 | Very high | 96.1 | Very high | 106 Ų | 106 | 66.1 Ų | 66.1 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -95.3 | -24.5 | -177.8 | -65 | -89.3 | 0 | 0 | 0 | 113 | R12 K23 Q25 P66 | R12-F14 HydrophobicContact CB-CD2 4.27Å; R12-F14 HydrophobicContact CB-CE2 3.57Å; R12-F14 HydrophobicContact CB-CZ 3.89Å; R12-F14 HydrophobicContact CG-CZ 4.47Å; F14-K23 HydrophobicContact CD2-CB 4.49Å; F14-K23 HydrophobicContact CD2-CG 4.26Å; F14-K23 HydrophobicContact CE2-CB 4.21Å; F14-K23 HydrophobicContact CE2-CG 4.41Å; F14-Q25 HydrophobicContact CE2-CG 4.5Å; F14-Q25 HydrophobicContact CZ-CG 4.39Å; F14-P66 HydrophobicContact CD1-CB 3.59Å; F14-P66 HydrophobicContact CD1-CG 4.03Å; F14-P66 HydrophobicContact CE1-CB 3.86Å; F14-P66 HydrophobicContact CE1-CG 4.06Å; F14-P66 HydrophobicContact CG-CB 4.18Å |
| 15 | E | 98.6 | Very high | 97.5 | Very high | 132 Ų | 132 | 57.4 Ų | 57.4 | 62% | 0.617 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -143.1 | 154.9 | 174.8 | 64.6 | -170.9 | 151.6 | 0 | 0 | 109.2 | V13 V21 | V13-E15 WeakPolarHBondContact CG1-O 3.46Å; E15-V21 HydrophobicContact CG-CG1 4.07Å; E15-V21 WeakPolarHBondContact O-CB 3.38Å; E15-V21 WeakPolarHBondContact O-CG2 3.18Å |
| 16 | F | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | trans | -76.4 | 145.7 | 175.3 | -62.8 | -66.1 | 0 | 0 | 0 | 110.7 | I54 R55 K62 L65 Y67 | F16-I54 WeakPolarHBondContact CD1-O 3.5Å; F16-I54 WeakPolarHBondContact CE1-O 3.35Å; F16-R55 WeakPolarHBondContact CA-O 3.5Å; F16-K62 HydrophobicContact CZ-CB 4.28Å; F16-L65 HydrophobicContact CD1-CD2 4.5Å; F16-L65 HydrophobicContact CD2-CD1 3.89Å; F16-L65 HydrophobicContact CE1-CD2 4.21Å; F16-L65 HydrophobicContact CE2-CD1 3.69Å; F16-L65 HydrophobicContact CE2-CG 4.16Å; F16-L65 HydrophobicContact CZ-CD1 4.18Å; F16-L65 HydrophobicContact CZ-CD2 4.21Å; F16-L65 HydrophobicContact CZ-CG 4.14Å; F16-Y67 HydrophobicContact CE1-CE1 4.12Å | ||
| 17 | G | 98.3 | Very high | 98.5 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | trans | 171.9 | -159.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R55 S56 | G17-R55 PolarHBondContact N-O 3.34Å; G17-R55 PolarHBondContact O-NE 2.9Å; G17-S56 WeakPolarHBondContact O-CA 3.03Å | ||
| 18 | G | 98.3 | Very high | 98.5 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -72.5 | -174.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | E20 V21 R55 | G18-E20 VanDerWaalsContact C-CD 3.47Å; G18-E20 WeakPolarHBondContact CA-OE1 3.44Å; G18-E20 WeakPolarHBondContact CA-OE2 3.33Å; G18-E20 PolarHBondContact N-OE1 3.34Å; G18-E20 PolarHBondContact O-N 3.45Å; G18-E20 VanDerWaalsContact O-N 3.09Å; G18-V21 VanDerWaalsContact O-CG2 3.31Å; G18-V21 WeakPolarHBondContact O-CG2 3.32Å; G18-V21 PolarHBondContact O-N 3.12Å; G18-R55 VanDerWaalsContact C-NE 3.34Å; G18-R55 WeakPolarHBondContact O-CD 3.28Å; G18-R55 PolarHBondContact O-NE 3.08Å |
| 19 | P | 98.5 | Very high | 98.5 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 22% | 0.221 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -56.3 | -24.4 | -179.4 | -23.3 | 33.4 | 0 | 0 | 0 | 114.8 | V21 L22 A309 H312 K313 | P19-V21 PolarHBondContact O-N 2.98Å; P19-V21 VanDerWaalsContact O-N 3.16Å; P19-L22 HydrophobicContact CB-CD1 4.48Å; P19-L22 WeakPolarHBondContact O-CB 3.35Å; P19-L22 WeakPolarHBondContact O-CD1 3.26Å; P19-L22 PolarHBondContact O-N 3.21Å; P19-L22 VanDerWaalsContact O-N 3.14Å; P19-A309 HydrophobicContact CB-CB 4.04Å; P19-A309 WeakPolarHBondContact CB-O 3.17Å; P19-A309 WeakPolarHBondContact O-CB 3.31Å; P19-H312 HydrophobicContact CB-CB 4.45Å; P19-K313 HydrophobicContact CG-CB 4.34Å |
| 20 | E | 98.3 | Very high | 98.4 | Very high | 118 Ų | 118 | 50.5 Ų | 50.5 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -60.2 | -21.1 | 179.4 | 69.1 | -70.6 | 162.2 | 0 | 0 | 114.6 | G18 L22 K23 | G18-E20 VanDerWaalsContact C-CD 3.47Å; G18-E20 WeakPolarHBondContact CA-OE1 3.44Å; G18-E20 WeakPolarHBondContact CA-OE2 3.33Å; G18-E20 PolarHBondContact N-OE1 3.34Å; G18-E20 PolarHBondContact O-N 3.45Å; G18-E20 VanDerWaalsContact O-N 3.09Å; E20-L22 VanDerWaalsContact C-N 3.27Å; E20-L22 PolarHBondContact O-N 3.3Å; E20-K23 VanDerWaalsContact O-CE 3.3Å; E20-K23 WeakPolarHBondContact O-CE 3.1Å; E20-K23 PolarHBondContact O-NZ 3.01Å |
| 21 | V | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -78.4 | -9.8 | 178.3 | -49.5 | 0 | 0 | 0 | 0 | 113.3 | V13 E15 G18 P19 K23 R55 | V13-V21 HydrophobicContact CG1-CG2 3.87Å; E15-V21 HydrophobicContact CG-CG1 4.07Å; E15-V21 WeakPolarHBondContact O-CB 3.38Å; E15-V21 WeakPolarHBondContact O-CG2 3.18Å; G18-V21 VanDerWaalsContact O-CG2 3.31Å; G18-V21 WeakPolarHBondContact O-CG2 3.32Å; G18-V21 PolarHBondContact O-N 3.12Å; P19-V21 PolarHBondContact O-N 2.98Å; P19-V21 VanDerWaalsContact O-N 3.16Å; V21-K23 PolarHBondContact O-N 3Å; V21-R55 HydrophobicContact CG2-CG 3.62Å |
| 22 | L | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 100 | 177.4 | -65.2 | 157.3 | 0 | 0 | 0 | 109.4 | V11 V13 P19 E20 R55 P69 V308 A309 H312 | V11-L22 HydrophobicContact CG1-CB 4.02Å; V11-L22 HydrophobicContact CG1-CD2 3.71Å; V13-L22 HydrophobicContact CG2-CD2 3.78Å; P19-L22 HydrophobicContact CB-CD1 4.48Å; P19-L22 WeakPolarHBondContact O-CB 3.35Å; P19-L22 WeakPolarHBondContact O-CD1 3.26Å; P19-L22 PolarHBondContact O-N 3.21Å; P19-L22 VanDerWaalsContact O-N 3.14Å; E20-L22 VanDerWaalsContact C-N 3.27Å; E20-L22 PolarHBondContact O-N 3.3Å; L22-R55 HydrophobicContact CD2-CG 4.35Å; L22-R55 HydrophobicContact CG-CG 4.4Å; L22-P69 HydrophobicContact CD2-CG 4.02Å; L22-V308 HydrophobicContact CB-CG1 3.83Å; L22-V308 HydrophobicContact CD1-CG1 4.41Å; L22-V308 HydrophobicContact CD1-CG2 4.21Å; L22-V308 HydrophobicContact CD2-CG2 4.39Å; L22-A309 HydrophobicContact CD1-CB 4.48Å; L22-H312 HydrophobicContact CD1-CB 3.89Å |
| 23 | K | 98.7 | Very high | 98.3 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.3 | -178.1 | -54.1 | -52.5 | -172.6 | -172.4 | 0 | 111 | V11 R12 F14 E20 V21 | V11-K23 CarbonylContact C-O 3.52Å; V11-K23 WeakPolarHBondContact CA-O 3.35Å; R12-K23 PolarHBondContact N-O 2.86Å; R12-K23 PolarHBondContact O-N 2.99Å; F14-K23 HydrophobicContact CD2-CB 4.49Å; F14-K23 HydrophobicContact CD2-CG 4.26Å; F14-K23 HydrophobicContact CE2-CB 4.21Å; F14-K23 HydrophobicContact CE2-CG 4.41Å; E20-K23 VanDerWaalsContact O-CE 3.3Å; E20-K23 WeakPolarHBondContact O-CE 3.1Å; E20-K23 PolarHBondContact O-NZ 3.01Å; V21-K23 PolarHBondContact O-N 3Å |
| 24 | L | 98.6 | Very high | 98.3 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 32% | 0.319 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 127.7 | 170 | -173.1 | 64 | 0 | 0 | 0 | 109.5 | R9 V11 L305 E306 | R9-L24 HydrophobicContact CB-CD1 4.31Å; V11-L24 HydrophobicContact CG2-CD1 4.37Å; L24-L305 HydrophobicContact CD1-CD2 3.66Å; L24-L305 HydrophobicContact CD1-CG 4.01Å; L24-E306 HydrophobicContact CD2-CB 4.46Å; L24-E306 HydrophobicContact CD2-CG 3.74Å |
| 25 | Q | 98.5 | Very high | 98.2 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 29% | 0.29 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 150.5 | 171.7 | -63.2 | -61.8 | -26.8 | 0 | 0 | 108.9 | R9 A10 R12 F14 I28 | R9-Q25 CarbonylContact C-O 3.57Å; R9-Q25 WeakPolarHBondContact CA-O 3.44Å; A10-Q25 PolarHBondContact N-O 3.14Å; A10-Q25 PolarHBondContact O-N 2.81Å; R12-Q25 HydrophobicContact CB-CG 4.11Å; R12-Q25 HydrophobicContact CG-CB 4.01Å; R12-Q25 HydrophobicContact CG-CG 3.59Å; F14-Q25 HydrophobicContact CE2-CG 4.5Å; F14-Q25 HydrophobicContact CZ-CG 4.39Å; Q25-I28 HydrophobicContact CB-CD1 3.67Å; Q25-I28 HydrophobicContact CB-CG1 3.76Å; Q25-I28 HydrophobicContact CG-CD1 4.25Å |
| 26 | S | 97.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 60.2 Ų | 60.2 | 61% | 0.608 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | -2.1 | -176.3 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | M8 | M8-S26 CarbonylContact O-C 3.56Å |
| 27 | D | 97.3 | Very high | 98.2 | Very high | 96 Ų | 96 | 59.6 Ų | 59.6 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 23.6 | -172.6 | 63 | -24.6 | 0 | 0 | 0 | 112.1 | L7 | L7-D27 HydrophobicContact CD1-CB 4.38Å |
| 28 | I | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.8 | 177.6 | -53.5 | -53.9 | 0 | 0 | 0 | 108.9 | L7 M8 A10 R12 Q25 V30 | L7-I28 CarbonylContact C-O 3.53Å; L7-I28 WeakPolarHBondContact CA-O 3.45Å; M8-I28 HydrophobicContact CE-CB 4.48Å; M8-I28 HydrophobicContact CE-CG2 3.9Å; M8-I28 HydrophobicContact CG-CB 4.26Å; M8-I28 WeakPolarHBondContact CG-O 3.43Å; M8-I28 PolarHBondContact N-O 3.37Å; M8-I28 PolarHBondContact O-N 2.76Å; A10-I28 HydrophobicContact CB-CB 4.42Å; A10-I28 HydrophobicContact CB-CG1 4.11Å; R12-I28 HydrophobicContact CG-CD1 4.11Å; R12-I28 HydrophobicContact CG-CG1 4.41Å; Q25-I28 HydrophobicContact CB-CD1 3.67Å; Q25-I28 HydrophobicContact CB-CG1 3.76Å; Q25-I28 HydrophobicContact CG-CD1 4.25Å; I28-V30 PolarHBondContact O-N 3.19Å |
| 29 | A | 98.1 | Very high | 98.3 | Very high | 37 Ų | 37 | 58 Ų | 58 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q5 P31 | Q5-A29 HydrophobicContact CG-CB 3.95Å; A29-P31 WeakPolarHBondContact O-CD 3.36Å |
| 30 | V | 98.4 | Very high | 98.3 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 125.1 | 173.4 | 176 | 0 | 0 | 0 | 0 | 109.1 | K6 M8 I28 L39 Y106 | K6-V30 HydrophobicContact CB-CB 4.26Å; K6-V30 HydrophobicContact CB-CG2 3.97Å; K6-V30 HydrophobicContact CD-CG2 4.19Å; K6-V30 HydrophobicContact CG-CG2 3.94Å; K6-V30 WeakPolarHBondContact O-CG2 3.45Å; K6-V30 PolarHBondContact O-N 3.28Å; M8-V30 HydrophobicContact CB-CG2 3.84Å; M8-V30 HydrophobicContact CG-CG2 4.03Å; M8-V30 HydrophobicContact SD-CG2 4.22Å; I28-V30 PolarHBondContact O-N 3.19Å; V30-L39 HydrophobicContact CG1-CD1 4.43Å; V30-L39 HydrophobicContact CG1-CD2 3.79Å; V30-Y106 HydrophobicContact CG1-CD1 4.43Å; V30-Y106 HydrophobicContact CG1-CD2 4.37Å; V30-Y106 HydrophobicContact CG1-CG 4.08Å; V30-Y106 HydrophobicContact CG2-CD2 3.96Å; V30-Y106 HydrophobicContact CG2-CE2 4.39Å; V30-Y106 HydrophobicContact CG2-CG 4.47Å |
| 31 | P | 97.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 20% | 0.195 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 149.3 | 177.7 | -21.9 | 33 | 0 | 0 | 0 | 112.1 | M8 A29 L39 L108 | M8-P31 HydrophobicContact CE-CG 4.44Å; A29-P31 WeakPolarHBondContact O-CD 3.36Å; P31-L39 HydrophobicContact CB-CD1 4.24Å; P31-L39 WeakPolarHBondContact O-CD1 3.36Å; P31-L39 WeakPolarHBondContact O-CD2 3.41Å; P31-L108 HydrophobicContact CB-CB 4.05Å; P31-L108 HydrophobicContact CB-CD1 4.33Å; P31-L108 HydrophobicContact CB-CD2 4.23Å; P31-L108 HydrophobicContact CB-CG 4.45Å; P31-L108 HydrophobicContact CG-CB 4.39Å |
| 32 | I | 98.1 | Very high | 98.4 | Very high | 124 Ų | 124 | 55 Ų | 55 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | trans | -107.5 | 120.4 | 173.8 | -58.7 | 173.5 | 0 | 0 | 0 | 107.6 | ||||
| 33 | P | 98.2 | Very high | 98.4 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.104 | 30% | 0.298 | C | S | . | . | trans | -70.1 | 142.2 | -180 | 29.8 | -32.4 | 0 | 0 | 0 | 111.4 | Q37 L39 A79 L108 | P33-Q37 HydrophobicContact CB-CB 3.95Å; P33-L39 HydrophobicContact CB-CB 4.42Å; P33-L39 HydrophobicContact CG-CB 3.89Å; P33-A79 HydrophobicContact CG-CB 3.81Å; P33-L108 HydrophobicContact CB-CD1 3.68Å | ||
| 34 | K | 97.9 | Very high | 98.4 | Very high | 148 Ų | 148 | 53.3 Ų | 53.3 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | trans | -128.9 | 154.4 | 175 | -62.7 | -178.1 | 179.6 | -176.7 | 0 | 109.9 | H36 Q37 | K34-H36 PolarHBondContact O-N 3.47Å; K34-Q37 WeakPolarHBondContact O-CB 3.48Å; K34-Q37 WeakPolarHBondContact O-CG 2.91Å; K34-Q37 PolarHBondContact O-N 3.17Å; K34-Q37 PolarHBondContact O-OE1 3.49Å | ||
| 35 | D | 98.1 | Very high | 98.4 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -124.1 | 171.3 | -175.1 | 34.2 | 0 | 0 | 0 | 112 | Q37 G81 D82 N83 A84 | D35-Q37 PolarHBondContact O-N 2.99Å; D35-G81 CarbonylContact O-C 3.56Å; D35-G81 VanDerWaalsContact O-CA 3.28Å; D35-G81 WeakPolarHBondContact O-CA 3.43Å; D35-D82 PolarHBondContact O-N 2.9Å; D35-N83 PolarHBondContact O-N 2.95Å; D35-N83 VanDerWaalsContact O-N 3.11Å; D35-N83 WeakPolarHBondContact OD1-CB 3.19Å; D35-N83 PolarHBondContact OD1-ND2 2.82Å; D35-A84 PolarHBondContact O-N 2.9Å |
| 36 | H | 98.4 | Very high | 98.4 | Very high | 87 Ų | 87 | 47.5 Ų | 47.5 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 25.7 | 178.5 | -76.2 | -77.4 | 0 | 0 | 0 | 114.2 | K34 N83 D111 | K34-H36 PolarHBondContact O-N 3.47Å; H36-N83 PolarHBondContact CE1-O 2.72Å; H36-N83 PolarHBondContact ND1-O 2.86Å; H36-D111 IonicContact CE1-OD2 3.77Å; H36-D111 IonicContact CG-OD2 3.57Å; H36-D111 IonicContact ND1-OD1 3.63Å; H36-D111 IonicContact ND1-OD2 3.46Å; H36-D111 PolarHBondContact ND1-OD2 3.37Å; H36-D111 WeakPolarHBondContact O-CB 3.47Å; H36-D111 VanDerWaalsContact O-CG 3.31Å; H36-D111 PolarHBondContact O-N 3.09Å |
| 37 | Q | 98.8 | Very high | 98.5 | Very high | 53 Ų | 53 | 43.4 Ų | 43.4 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 151.7 | 179.7 | -58.3 | 169.1 | -10.8 | 0 | 0 | 111.4 | P33 K34 D35 G81 I99 L108 A109 | P33-Q37 HydrophobicContact CB-CB 3.95Å; K34-Q37 WeakPolarHBondContact O-CB 3.48Å; K34-Q37 WeakPolarHBondContact O-CG 2.91Å; K34-Q37 PolarHBondContact O-N 3.17Å; K34-Q37 PolarHBondContact O-OE1 3.49Å; D35-Q37 PolarHBondContact O-N 2.99Å; Q37-G81 PolarHBondContact O-N 3.27Å; Q37-I99 HydrophobicContact CG-CD1 3.79Å; Q37-L108 HydrophobicContact CB-CD1 4.04Å; Q37-L108 HydrophobicContact CB-CG 4.38Å; Q37-A109 CarbonylContact C-O 3.46Å; Q37-A109 VanDerWaalsContact CA-O 3.3Å; Q37-A109 WeakPolarHBondContact CA-O 3.23Å |
| 38 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.9 | 169.5 | -59.2 | 0 | 0 | 0 | 0 | 109.8 | I40 I77 V80 A84 F87 L108 A109 D111 V114 | V38-I40 HydrophobicContact CG2-CD1 4.4Å; V38-I40 HydrophobicContact CG2-CG1 4.25Å; V38-I77 HydrophobicContact CB-CD1 3.82Å; V38-I77 HydrophobicContact CG1-CD1 4.3Å; V38-I77 HydrophobicContact CG2-CD1 3.8Å; V38-V80 HydrophobicContact CG1-CB 4.41Å; V38-V80 HydrophobicContact CG1-CG1 3.98Å; V38-A84 HydrophobicContact CG1-CB 3.74Å; V38-F87 HydrophobicContact CG1-CB 4.16Å; V38-F87 HydrophobicContact CG1-CD2 4.08Å; V38-F87 HydrophobicContact CG1-CG 4.33Å; V38-L108 WeakPolarHBondContact O-CA 3.28Å; V38-A109 HydrophobicContact CG2-CB 4.35Å; V38-A109 PolarHBondContact N-O 3.33Å; V38-A109 PolarHBondContact O-N 2.77Å; V38-D111 HydrophobicContact CG1-CB 4.49Å; V38-V114 HydrophobicContact CG2-CB 4.44Å; V38-V114 HydrophobicContact CG2-CG1 4.48Å; V38-V114 HydrophobicContact CG2-CG2 3.6Å |
| 39 | L | 98.9 | Very high | 98.4 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125 | 171.5 | -174.4 | 70.8 | 0 | 0 | 0 | 108.7 | V30 P31 P33 E78 A79 Y106 L108 | V30-L39 HydrophobicContact CG1-CD1 4.43Å; V30-L39 HydrophobicContact CG1-CD2 3.79Å; P31-L39 HydrophobicContact CB-CD1 4.24Å; P31-L39 WeakPolarHBondContact O-CD1 3.36Å; P31-L39 WeakPolarHBondContact O-CD2 3.41Å; P33-L39 HydrophobicContact CB-CB 4.42Å; P33-L39 HydrophobicContact CG-CB 3.89Å; L39-E78 HydrophobicContact CD2-CB 4.2Å; L39-E78 HydrophobicContact CD2-CG 4.13Å; L39-E78 HydrophobicContact CG-CB 4.33Å; L39-E78 PolarHBondContact O-N 2.76Å; L39-A79 HydrophobicContact CB-CB 4.2Å; L39-A79 HydrophobicContact CD2-CB 4.49Å; L39-A79 PolarHBondContact N-O 2.66Å; L39-A79 PolarHBondContact O-N 3.43Å; L39-Y106 HydrophobicContact CD2-CD1 4.19Å; L39-Y106 HydrophobicContact CG-CD1 4.3Å; L39-L108 HydrophobicContact CD1-CD1 4.47Å |
| 40 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.2 | -179.4 | -58.9 | 166.9 | 0 | 0 | 0 | 107.9 | V38 V42 V73 V76 I77 V93 T95 Y106 A107 A109 V114 | V38-I40 HydrophobicContact CG2-CD1 4.4Å; V38-I40 HydrophobicContact CG2-CG1 4.25Å; I40-V42 HydrophobicContact CG2-CG2 4.46Å; I40-V42 PolarHBondContact O-N 2.9Å; I40-V73 HydrophobicContact CD1-CG2 3.91Å; I40-V73 HydrophobicContact CG2-CG2 4.3Å; I40-V76 CarbonylContact C-O 3.52Å; I40-V76 WeakPolarHBondContact CA-O 3.36Å; I40-I77 HydrophobicContact CG1-CD1 3.98Å; I40-V93 HydrophobicContact CD1-CG2 3.95Å; I40-V93 HydrophobicContact CG1-CG2 3.97Å; I40-V93 HydrophobicContact CG2-CG2 4.08Å; I40-T95 HydrophobicContact CD1-CG2 3.4Å; I40-T95 VanDerWaalsContact CD1-CG2 3.4Å; I40-Y106 CarbonylContact O-C 3.57Å; I40-Y106 WeakPolarHBondContact O-CA 3.39Å; I40-A107 PolarHBondContact N-O 3.22Å; I40-A107 PolarHBondContact O-N 3.28Å; I40-A109 HydrophobicContact CD1-CB 4.2Å; I40-V114 HydrophobicContact CD1-CG1 4.27Å; I40-V114 HydrophobicContact CD1-CG2 4.24Å |
| 41 | K | 98.9 | Very high | 98.2 | Very high | 91 Ų | 91 | 38.8 Ų | 38.8 | 40% | 0.396 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 110.2 | 162.1 | -176.7 | 179.7 | 178.6 | -175.2 | 0 | 107.8 | G75 V76 E78 Y106 | K41-G75 VanDerWaalsContact O-CA 3.31Å; K41-G75 WeakPolarHBondContact O-CA 3.34Å; K41-V76 PolarHBondContact N-O 2.76Å; K41-V76 PolarHBondContact O-N 3.16Å; K41-E78 HydrophobicContact CB-CB 4.36Å; K41-Y106 HydrophobicContact CB-CD1 4Å; K41-Y106 HydrophobicContact CB-CE1 3.7Å; K41-Y106 HydrophobicContact CD-CE1 4.28Å; K41-Y106 HydrophobicContact CG-CD1 4.38Å; K41-Y106 HydrophobicContact CG-CE1 3.8Å |
| 42 | V | 98.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.9 | -169.8 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | I40 A44 V73 A104 E105 A107 L329 | I40-V42 HydrophobicContact CG2-CG2 4.46Å; I40-V42 PolarHBondContact O-N 2.9Å; V42-A44 WeakPolarHBondContact CG1-O 3.24Å; V42-V73 HydrophobicContact CG1-CB 3.92Å; V42-V73 HydrophobicContact CG1-CG1 3.9Å; V42-V73 HydrophobicContact CG2-CB 3.99Å; V42-V73 HydrophobicContact CG2-CG1 3.86Å; V42-V73 HydrophobicContact CG2-CG2 4.36Å; V42-A104 VanDerWaalsContact CB-O 3.31Å; V42-A104 WeakPolarHBondContact CB-O 3.38Å; V42-A104 WeakPolarHBondContact CG2-O 3.47Å; V42-E105 PolarHBondContact N-O 3Å; V42-A107 HydrophobicContact CG2-CB 3.7Å; V42-L329 HydrophobicContact CB-CG 4.1Å; V42-L329 HydrophobicContact CG1-CD2 3.65Å; V42-L329 HydrophobicContact CG1-CG 3.72Å; V42-L329 WeakPolarHBondContact O-CB 3.4Å |
| 43 | H | 98.9 | Very high | 98 | Very high | 77 Ų | 77 | 34.1 Ų | 34.1 | 36% | 0.356 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -35.7 | 171.8 | -79.1 | -108.8 | 0 | 0 | 0 | 111.8 | A74 F123 L329 | H43-A74 PolarHBondContact N-O 3.34Å; H43-F123 HydrophobicContact CB-CB 3.68Å; H43-F123 HydrophobicContact CB-CD2 3.84Å; H43-F123 HydrophobicContact CB-CG 3.87Å; H43-F123 AromaticContact CG-CD2 3.62Å; H43-F123 AromaticContact ND1-CD2 3.73Å; H43-L329 PolarHBondContact O-N 3.19Å |
| 44 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 150.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V42 V73 A74 A127 I326 L327 L328 | V42-A44 WeakPolarHBondContact CG1-O 3.24Å; A44-V73 CarbonylContact O-C 3.42Å; A44-V73 WeakPolarHBondContact O-CA 3.34Å; A44-A74 PolarHBondContact N-O 2.99Å; A44-A74 PolarHBondContact O-N 2.95Å; A44-A127 HydrophobicContact CB-CB 3.64Å; A44-I326 HydrophobicContact CB-CD1 4.3Å; A44-L327 CarbonylContact C-O 3.39Å; A44-L327 VanDerWaalsContact CA-O 3.25Å; A44-L327 WeakPolarHBondContact CA-O 3.44Å; A44-L328 HydrophobicContact CB-CD2 4.43Å |
| 45 | C | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.8 | 170.5 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | D72 V73 G102 Y103 I326 L327 L329 | C45-D72 CarbonylContact C-O 3.54Å; C45-D72 WeakPolarHBondContact CA-O 3.21Å; C45-V73 HydrophobicContact CB-CG1 4.16Å; C45-G102 WeakPolarHBondContact CB-O 3.42Å; C45-Y103 HydrophobicContact CB-CD1 4.04Å; C45-Y103 HydrophobicContact CB-CE1 4.35Å; C45-Y103 VanDerWaalsContact SG-CD1 3.52Å; C45-I326 CarbonylContact O-C 3.53Å; C45-I326 WeakPolarHBondContact O-CA 3.48Å; C45-L327 PolarHBondContact N-O 3.06Å; C45-L327 PolarHBondContact O-N 3.2Å; C45-L329 HydrophobicContact CB-CD2 4.4Å |
| 46 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 142.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D72 A127 | G46-D72 PolarHBondContact N-O 3.2Å; G46-A127 VanDerWaalsContact CA-O 3.23Å; G46-A127 WeakPolarHBondContact CA-O 3.36Å; G46-A127 PolarHBondContact N-O 2.93Å |
| 47 | V | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | trans | -97.7 | 124.8 | 169.2 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | A311 I315 K324 M325 L327 | V47-A311 HydrophobicContact CG2-CB 4.39Å; V47-I315 HydrophobicContact CB-CD1 4.17Å; V47-I315 HydrophobicContact CG1-CD1 3.68Å; V47-I315 HydrophobicContact CG1-CG2 4.33Å; V47-I315 WeakPolarHBondContact O-CD1 3.42Å; V47-K324 WeakPolarHBondContact O-CE 3.45Å; V47-K324 PolarHBondContact O-NZ 3.16Å; V47-M325 HydrophobicContact CB-CB 4.25Å; V47-M325 HydrophobicContact CB-CG 4.04Å; V47-M325 HydrophobicContact CB-SD 4.19Å; V47-M325 HydrophobicContact CG1-SD 4.11Å; V47-M325 HydrophobicContact CG2-CG 4.04Å; V47-M325 HydrophobicContact CG2-SD 4.34Å; V47-M325 PolarHBondContact N-O 2.96Å; V47-L327 HydrophobicContact CG2-CD1 4.48Å; V47-L327 HydrophobicContact CG2-CD2 3.9Å; V47-L327 HydrophobicContact CG2-CG 3.74Å | ||
| 48 | N | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | trans | -115.6 | 141.1 | 179.6 | -67.6 | -66.9 | 0 | 0 | 0 | 110.8 | V50 E51 D72 K324 | N48-V50 HydrophobicContact CB-CG1 3.93Å; N48-V50 PolarHBondContact O-N 3.44Å; N48-V50 VanDerWaalsContact O-N 3.09Å; N48-E51 HydrophobicContact CB-CG 4.4Å; N48-E51 PolarHBondContact N-OE2 3.21Å; N48-E51 PolarHBondContact ND2-OE1 2.75Å; N48-E51 WeakPolarHBondContact O-CB 3.43Å; N48-E51 PolarHBondContact O-N 2.97Å; N48-D72 PolarHBondContact ND2-OD2 2.64Å; N48-K324 PolarHBondContact OD1-NZ 2.9Å | ||
| 49 | P | 96.2 | Very high | 96.9 | Very high | 47 Ų | 47 | 29.1 Ų | 29.1 | 31% | 0.305 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -54.4 | -34.2 | 176.1 | -27.4 | 35.6 | 0 | 0 | 0 | 113.4 | E51 T52 Y53 I315 I316 | P49-E51 PolarHBondContact O-N 3.39Å; P49-T52 WeakPolarHBondContact O-CB 3.37Å; P49-T52 PolarHBondContact O-N 3.16Å; P49-T52 PolarHBondContact O-OG1 2.84Å; P49-Y53 HydrophobicContact CB-CE2 4.36Å; P49-Y53 WeakPolarHBondContact CB-OH 3.49Å; P49-Y53 WeakPolarHBondContact O-CD1 3.31Å; P49-Y53 WeakPolarHBondContact O-CE1 3.46Å; P49-Y53 PolarHBondContact O-N 3.09Å; P49-I315 HydrophobicContact CG-CD1 4.1Å; P49-I315 HydrophobicContact CG-CG1 4.35Å; P49-I316 HydrophobicContact CB-CD1 4.43Å |
| 50 | V | 94.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -32.2 | 178.3 | 72 | 0 | 0 | 0 | 0 | 113.2 | N48 T52 Y53 I54 Y59 | N48-V50 HydrophobicContact CB-CG1 3.93Å; N48-V50 PolarHBondContact O-N 3.44Å; N48-V50 VanDerWaalsContact O-N 3.09Å; V50-T52 PolarHBondContact O-N 3.31Å; V50-Y53 HydrophobicContact CB-CD2 4.47Å; V50-Y53 HydrophobicContact CG2-CD2 4.49Å; V50-Y53 PolarHBondContact O-N 3.06Å; V50-Y53 VanDerWaalsContact O-N 3.16Å; V50-I54 HydrophobicContact CG2-CD1 4.18Å; V50-I54 WeakPolarHBondContact O-CG1 3.44Å; V50-I54 PolarHBondContact O-N 2.94Å; V50-Y59 HydrophobicContact CG2-CD1 4.04Å; V50-Y59 HydrophobicContact CG2-CE1 3.52Å; V50-Y59 HydrophobicContact CG2-CE2 4.08Å |
| 51 | E | 97.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -28.5 | 177.6 | -68.5 | 144.6 | -170.7 | 0 | 0 | 111.2 | N48 P49 R55 S71 Y103 | N48-E51 HydrophobicContact CB-CG 4.4Å; N48-E51 PolarHBondContact N-OE2 3.21Å; N48-E51 PolarHBondContact ND2-OE1 2.75Å; N48-E51 WeakPolarHBondContact O-CB 3.43Å; N48-E51 PolarHBondContact O-N 2.97Å; P49-E51 PolarHBondContact O-N 3.39Å; E51-R55 VanDerWaalsContact O-CB 3.25Å; E51-R55 WeakPolarHBondContact O-CB 2.81Å; E51-R55 PolarHBondContact O-N 2.94Å; E51-S71 PolarHBondContact OE1-N 3.11Å; E51-Y103 PolarHBondContact OE2-OH 2.85Å |
| 52 | T | 97.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70 | -35.8 | 174 | 78.2 | 0 | 0 | 0 | 0 | 111.9 | P49 V50 R55 S56 H312 I315 I316 | P49-T52 WeakPolarHBondContact O-CB 3.37Å; P49-T52 PolarHBondContact O-N 3.16Å; P49-T52 PolarHBondContact O-OG1 2.84Å; V50-T52 PolarHBondContact O-N 3.31Å; T52-R55 PolarHBondContact O-N 2.94Å; T52-R55 PolarHBondContact O-NH2 3.38Å; T52-S56 PolarHBondContact O-N 2.88Å; T52-S56 PolarHBondContact O-OG 3.12Å; T52-H312 HydrophobicContact CG2-CB 4.46Å; T52-I315 HydrophobicContact CG2-CG2 3.67Å; T52-I316 HydrophobicContact CG2-CD1 4Å; T52-I316 HydrophobicContact CG2-CG1 3.93Å; T52-I316 WeakPolarHBondContact OG1-CD1 3.34Å |
| 53 | Y | 94.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.5 | -36.9 | 179.2 | -44.5 | -28 | 0 | 0 | 0 | 111.3 | P49 V50 S56 G57 T58 Y59 R249 I316 | P49-Y53 HydrophobicContact CB-CE2 4.36Å; P49-Y53 WeakPolarHBondContact CB-OH 3.49Å; P49-Y53 WeakPolarHBondContact O-CD1 3.31Å; P49-Y53 WeakPolarHBondContact O-CE1 3.46Å; P49-Y53 PolarHBondContact O-N 3.09Å; V50-Y53 HydrophobicContact CB-CD2 4.47Å; V50-Y53 HydrophobicContact CG2-CD2 4.49Å; V50-Y53 PolarHBondContact O-N 3.06Å; V50-Y53 VanDerWaalsContact O-N 3.16Å; Y53-S56 WeakPolarHBondContact CA-OG 3.37Å; Y53-S56 PolarHBondContact O-OG 3.19Å; Y53-G57 PolarHBondContact O-N 3.05Å; Y53-T58 PolarHBondContact O-N 3.43Å; Y53-Y59 HydrophobicContact CD2-CD2 4.13Å; Y53-Y59 HydrophobicContact CD2-CE2 4.33Å; Y53-Y59 PolarHBondContact O-N 3.47Å; Y53-R249 PolarHBondContact OH-NE 2.72Å; Y53-I316 HydrophobicContact CE1-CD1 4.21Å |
| 54 | I | 96.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 172.6 | -66.7 | 167.1 | 0 | 0 | 0 | 109.5 | F16 V50 S56 G57 Y59 K61 P63 Y67 | F16-I54 WeakPolarHBondContact CD1-O 3.5Å; F16-I54 WeakPolarHBondContact CE1-O 3.35Å; V50-I54 HydrophobicContact CG2-CD1 4.18Å; V50-I54 WeakPolarHBondContact O-CG1 3.44Å; V50-I54 PolarHBondContact O-N 2.94Å; I54-S56 VanDerWaalsContact C-N 3.33Å; I54-S56 PolarHBondContact O-N 3.4Å; I54-G57 PolarHBondContact O-N 3.48Å; I54-Y59 HydrophobicContact CD1-CD1 4.3Å; I54-Y59 HydrophobicContact CG1-CD1 3.68Å; I54-Y59 HydrophobicContact CG1-CG 4.21Å; I54-K61 HydrophobicContact CD1-CD 4.46Å; I54-P63 HydrophobicContact CG2-CG 3.68Å; I54-Y67 HydrophobicContact CG2-CE2 4.25Å |
| 55 | R | 98.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 177 | -175.8 | -142.9 | 63.9 | -135.7 | -11.7 | 112.8 | V13 F16 G17 G18 V21 L22 E51 T52 G57 Y67 H312 | V13-R55 HydrophobicContact CG2-CG 4.45Å; F16-R55 WeakPolarHBondContact CA-O 3.5Å; G17-R55 PolarHBondContact N-O 3.34Å; G17-R55 PolarHBondContact O-NE 2.9Å; G18-R55 VanDerWaalsContact C-NE 3.34Å; G18-R55 WeakPolarHBondContact O-CD 3.28Å; G18-R55 PolarHBondContact O-NE 3.08Å; V21-R55 HydrophobicContact CG2-CG 3.62Å; L22-R55 HydrophobicContact CD2-CG 4.35Å; L22-R55 HydrophobicContact CG-CG 4.4Å; E51-R55 VanDerWaalsContact O-CB 3.25Å; E51-R55 WeakPolarHBondContact O-CB 2.81Å; E51-R55 PolarHBondContact O-N 2.94Å; T52-R55 PolarHBondContact O-N 2.94Å; T52-R55 PolarHBondContact O-NH2 3.38Å; R55-G57 PolarHBondContact O-N 3.44Å; R55-Y67 WeakPolarHBondContact CA-OH 3.49Å; R55-Y67 PolarHBondContact N-OH 2.92Å; R55-H312 PolarHBondContact NH1-ND1 3.34Å; R55-H312 VanDerWaalsContact NH1-ND1 3.16Å |
| 56 | S | 97.2 | Very high | 95.4 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.9 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | G17 T52 Y53 I54 T58 | G17-S56 WeakPolarHBondContact O-CA 3.03Å; T52-S56 PolarHBondContact O-N 2.88Å; T52-S56 PolarHBondContact O-OG 3.12Å; Y53-S56 WeakPolarHBondContact CA-OG 3.37Å; Y53-S56 PolarHBondContact O-OG 3.19Å; I54-S56 VanDerWaalsContact C-N 3.33Å; I54-S56 PolarHBondContact O-N 3.4Å; S56-T58 VanDerWaalsContact C-N 3.25Å; S56-T58 PolarHBondContact O-N 3.41Å; S56-T58 PolarHBondContact OG-OG1 3.39Å |
| 57 | G | 95 | Very high | 95.4 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 13.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y53 I54 R55 K62 | Y53-G57 PolarHBondContact O-N 3.05Å; I54-G57 PolarHBondContact O-N 3.48Å; R55-G57 PolarHBondContact O-N 3.44Å; G57-K62 WeakPolarHBondContact O-CE 3.37Å; G57-K62 PolarHBondContact O-NZ 3.06Å |
| 58 | T | 89.1 | Confident | 95.4 | Very high | 115 Ų | 115 | 55.4 Ų | 55.4 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | trans | -101.5 | -7.8 | -179.2 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | Y53 S56 | Y53-T58 PolarHBondContact O-N 3.43Å; S56-T58 VanDerWaalsContact C-N 3.25Å; S56-T58 PolarHBondContact O-N 3.41Å; S56-T58 PolarHBondContact OG-OG1 3.39Å | ||
| 59 | Y | 90.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -82 | 158.6 | 174.7 | -157.5 | -118.7 | 0 | 0 | 0 | 112.2 | V50 Y53 I54 K61 | V50-Y59 HydrophobicContact CG2-CD1 4.04Å; V50-Y59 HydrophobicContact CG2-CE1 3.52Å; V50-Y59 HydrophobicContact CG2-CE2 4.08Å; Y53-Y59 HydrophobicContact CD2-CD2 4.13Å; Y53-Y59 HydrophobicContact CD2-CE2 4.33Å; Y53-Y59 PolarHBondContact O-N 3.47Å; I54-Y59 HydrophobicContact CD1-CD1 4.3Å; I54-Y59 HydrophobicContact CG1-CD1 3.68Å; I54-Y59 HydrophobicContact CG1-CG 4.21Å; Y59-K61 VanDerWaalsContact C-N 3.3Å; Y59-K61 HydrophobicContact CD1-CB 3.96Å; Y59-K61 HydrophobicContact CE1-CB 4.34Å; Y59-K61 PolarHBondContact O-N 2.98Å |
| 60 | S | 87.9 | Confident | 95.6 | Very high | 113 Ų | 113 | 53.8 Ų | 53.8 | 79% | 0.79 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -63.1 | -35.9 | 179.4 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | K62 | S60-K62 PolarHBondContact O-N 3.18Š|
| 61 | K | 88.3 | Confident | 95.7 | Very high | 123 Ų | 123 | 53.1 Ų | 53.1 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | trans | -81.1 | 115.5 | 172.9 | -172.2 | 177.1 | -178.7 | 178.6 | 0 | 110.1 | I54 Y59 | I54-K61 HydrophobicContact CD1-CD 4.46Å; Y59-K61 VanDerWaalsContact C-N 3.3Å; Y59-K61 HydrophobicContact CD1-CB 3.96Å; Y59-K61 HydrophobicContact CE1-CB 4.34Å; Y59-K61 PolarHBondContact O-N 2.98Å | ||
| 62 | K | 94.1 | Very high | 95.8 | Very high | 136 Ų | 136 | 52.7 Ų | 52.7 | 59% | 0.591 | 29% | 0.285 | S | S | * | . | trans | -117.7 | 100.3 | 174.4 | -66.6 | -173.2 | -179 | -167.6 | 0 | 110.5 | F16 G57 S60 | F16-K62 HydrophobicContact CZ-CB 4.28Å; G57-K62 WeakPolarHBondContact O-CE 3.37Å; G57-K62 PolarHBondContact O-NZ 3.06Å; S60-K62 PolarHBondContact O-N 3.18Å | ||
| 63 | P | 96.1 | Very high | 95.9 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 21% | 0.214 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 153.8 | 175.2 | -21 | 32.6 | 0 | 0 | 0 | 112 | I54 Y67 | I54-P63 HydrophobicContact CG2-CG 3.68Å; P63-Y67 HydrophobicContact CB-CD1 3.79Å; P63-Y67 HydrophobicContact CB-CD2 4.05Å; P63-Y67 HydrophobicContact CB-CE1 4.31Å; P63-Y67 HydrophobicContact CB-CG 3.67Å; P63-Y67 HydrophobicContact CG-CD1 4.19Å; P63-Y67 HydrophobicContact CG-CD2 3.99Å; P63-Y67 HydrophobicContact CG-CE1 4.25Å; P63-Y67 HydrophobicContact CG-CE2 4.07Å; P63-Y67 HydrophobicContact CG-CG 4.08Å |
| 64 | L | 97.9 | Very high | 96.1 | Very high | 162 Ų | 162 | 50 Ų | 50 | 85% | 0.848 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 135.2 | 166.9 | -66.4 | 176.1 | 0 | 0 | 0 | 109.6 | P66 | L64-P66 CarbonylContact O-C 3.52Š|
| 65 | L | 98.4 | Very high | 96.2 | Very high | 71 Ų | 71 | 49 Ų | 49 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -88.7 | 142 | 177.5 | -64.4 | 162.8 | 0 | 0 | 0 | 110 | V13 F16 Y67 | V13-L65 HydrophobicContact CG1-CD2 3.98Å; V13-L65 WeakPolarHBondContact O-CD2 3.36Å; F16-L65 HydrophobicContact CD1-CD2 4.5Å; F16-L65 HydrophobicContact CD2-CD1 3.89Å; F16-L65 HydrophobicContact CE1-CD2 4.21Å; F16-L65 HydrophobicContact CE2-CD1 3.69Å; F16-L65 HydrophobicContact CE2-CG 4.16Å; F16-L65 HydrophobicContact CZ-CD1 4.18Å; F16-L65 HydrophobicContact CZ-CD2 4.21Å; F16-L65 HydrophobicContact CZ-CG 4.14Å; L65-Y67 HydrophobicContact CD2-CD1 3.81Å; L65-Y67 HydrophobicContact CD2-CE1 3.92Å |
| 66 | P | 98.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 40% | 0.403 | 28% | 0.275 | S | S | . | . | S | Bend | cis | -80.1 | 144.7 | -6.3 | 30.1 | -32 | 0 | 0 | 0 | 113.4 | R12 V13 F14 L64 | R12-P66 PolarHBondContact NH2-O 3.17Å; V13-P66 WeakPolarHBondContact O-CA 3.34Å; V13-P66 WeakPolarHBondContact O-CB 3.4Å; F14-P66 HydrophobicContact CD1-CB 3.59Å; F14-P66 HydrophobicContact CD1-CG 4.03Å; F14-P66 HydrophobicContact CE1-CB 3.86Å; F14-P66 HydrophobicContact CE1-CG 4.06Å; F14-P66 HydrophobicContact CG-CB 4.18Å; L64-P66 CarbonylContact O-C 3.52Å |
| 67 | Y | 98.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 165.9 | 173.9 | 77.8 | -78.4 | 0 | 0 | 0 | 112.7 | R12 V13 F16 I54 R55 P63 L65 P69 | R12-Y67 WeakPolarHBondContact CA-O 3.08Å; V13-Y67 HydrophobicContact CB-CD1 4Å; V13-Y67 HydrophobicContact CB-CE1 3.58Å; V13-Y67 HydrophobicContact CG1-CD1 4.34Å; V13-Y67 HydrophobicContact CG1-CE1 3.6Å; V13-Y67 HydrophobicContact CG2-CE1 4.22Å; V13-Y67 PolarHBondContact N-O 2.63Å; V13-Y67 PolarHBondContact O-N 3.15Å; V13-Y67 VanDerWaalsContact O-N 3.16Å; F16-Y67 HydrophobicContact CE1-CE1 4.12Å; I54-Y67 HydrophobicContact CG2-CE2 4.25Å; R55-Y67 WeakPolarHBondContact CA-OH 3.49Å; R55-Y67 PolarHBondContact N-OH 2.92Å; P63-Y67 HydrophobicContact CB-CD1 3.79Å; P63-Y67 HydrophobicContact CB-CD2 4.05Å; P63-Y67 HydrophobicContact CB-CE1 4.31Å; P63-Y67 HydrophobicContact CB-CG 3.67Å; P63-Y67 HydrophobicContact CG-CD1 4.19Å; P63-Y67 HydrophobicContact CG-CD2 3.99Å; P63-Y67 HydrophobicContact CG-CE1 4.25Å; P63-Y67 HydrophobicContact CG-CE2 4.07Å; P63-Y67 HydrophobicContact CG-CG 4.08Å; L65-Y67 HydrophobicContact CD2-CD1 3.81Å; L65-Y67 HydrophobicContact CD2-CE1 3.92Å; Y67-P69 HydrophobicContact CD2-CG 4.43Å; Y67-P69 HydrophobicContact CE2-CB 4.08Å; Y67-P69 HydrophobicContact CE2-CG 3.77Å |
| 68 | T | 98.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | trans | -107.8 | 126.9 | 170 | -66.7 | 0 | 0 | 0 | 0 | 108.9 | V11 R12 S100 G101 A104 | V11-T68 WeakPolarHBondContact O-CA 3.33Å; V11-T68 VanDerWaalsContact O-CB 3.25Å; V11-T68 WeakPolarHBondContact O-CB 3.44Å; V11-T68 VanDerWaalsContact O-CG2 3.25Å; V11-T68 WeakPolarHBondContact O-CG2 3.4Å; V11-T68 PolarHBondContact O-OG1 3.47Å; R12-T68 VanDerWaalsContact CD-OG1 3.27Å; R12-T68 WeakPolarHBondContact CD-OG1 3.2Å; R12-T68 PolarHBondContact NH1-OG1 2.63Å; T68-S100 WeakPolarHBondContact CB-O 3.22Å; T68-G101 WeakPolarHBondContact O-CA 3.21Å; T68-A104 HydrophobicContact CG2-CB 4.37Å | ||
| 69 | P | 98.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | trans | -73.3 | 174.8 | 176.9 | -14.5 | 28.6 | 0 | 0 | 0 | 113.7 | V13 L22 Y67 G101 G102 Y103 | V13-P69 HydrophobicContact CG2-CG 3.9Å; L22-P69 HydrophobicContact CD2-CG 4.02Å; Y67-P69 HydrophobicContact CD2-CG 4.43Å; Y67-P69 HydrophobicContact CE2-CB 4.08Å; Y67-P69 HydrophobicContact CE2-CG 3.77Å; P69-G101 CarbonylContact O-C 3.35Å; P69-G102 PolarHBondContact O-N 2.87Å; P69-Y103 HydrophobicContact CB-CD2 3.66Å; P69-Y103 HydrophobicContact CB-CE2 3.77Å; P69-Y103 HydrophobicContact CB-CG 4.33Å; P69-Y103 HydrophobicContact CG-CD2 3.98Å; P69-Y103 HydrophobicContact CG-CE2 4.3Å; P69-Y103 WeakPolarHBondContact O-CB 3.2Å; P69-Y103 PolarHBondContact O-N 2.93Å | ||
| 70 | G | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | trans | 101.8 | 126 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T98 G102 | G70-T98 PolarHBondContact O-OG1 3.22Å; G70-G102 PolarHBondContact O-N 3.49Å | ||
| 71 | S | 98.4 | Very high | 97.8 | Very high | 16 Ų | 16 | 40 Ų | 40 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -107.7 | -25.5 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | E51 T95 S97 I131 | E51-S71 PolarHBondContact OE1-N 3.11Å; S71-T95 PolarHBondContact O-OG1 3.4Å; S71-S97 CarbonylContact O-C 3.13Å; S71-S97 PolarHBondContact O-N 2.83Å; S71-I131 WeakPolarHBondContact OG-CG1 3.43Å |
| 72 | D | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | trans | -109.7 | 70.1 | -161.9 | -62.6 | -3.9 | 0 | 0 | 0 | 110.8 | C45 G46 N48 I131 P132 K324 | C45-D72 CarbonylContact C-O 3.54Å; C45-D72 WeakPolarHBondContact CA-O 3.21Å; G46-D72 PolarHBondContact N-O 3.2Å; N48-D72 PolarHBondContact ND2-OD2 2.64Å; D72-I131 VanDerWaalsContact CG-N 3.33Å; D72-I131 WeakPolarHBondContact OD1-CG1 3.33Å; D72-I131 PolarHBondContact OD1-N 3.28Å; D72-I131 WeakPolarHBondContact OD2-CB 3.46Å; D72-I131 PolarHBondContact OD2-N 2.86Å; D72-P132 WeakPolarHBondContact OD2-CD 3.38Å; D72-K324 IonicContact OD2-NZ 3.82Å | ||
| 73 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 153.1 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | I40 V42 A44 C45 F94 T95 T98 A107 | I40-V73 HydrophobicContact CD1-CG2 3.91Å; I40-V73 HydrophobicContact CG2-CG2 4.3Å; V42-V73 HydrophobicContact CG1-CB 3.92Å; V42-V73 HydrophobicContact CG1-CG1 3.9Å; V42-V73 HydrophobicContact CG2-CB 3.99Å; V42-V73 HydrophobicContact CG2-CG1 3.86Å; V42-V73 HydrophobicContact CG2-CG2 4.36Å; A44-V73 CarbonylContact O-C 3.42Å; A44-V73 WeakPolarHBondContact O-CA 3.34Å; C45-V73 HydrophobicContact CB-CG1 4.16Å; V73-F94 CarbonylContact O-C 3.45Å; V73-F94 WeakPolarHBondContact O-CA 3.3Å; V73-T95 HydrophobicContact CG2-CG2 3.58Å; V73-T95 VanDerWaalsContact CG2-OG1 3.28Å; V73-T95 WeakPolarHBondContact CG2-OG1 3.49Å; V73-T95 PolarHBondContact N-OG1 2.88Å; V73-T95 PolarHBondContact O-N 3.07Å; V73-T95 PolarHBondContact O-OG1 3.23Å; V73-T98 HydrophobicContact CG1-CG2 4.12Å; V73-T98 HydrophobicContact CG2-CG2 4.09Å; V73-A107 HydrophobicContact CG1-CB 4.12Å; V73-A107 HydrophobicContact CG2-CB 4.34Å |
| 74 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 143.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | H43 A44 V93 F94 F123 G126 A127 | H43-A74 PolarHBondContact N-O 3.34Å; A44-A74 PolarHBondContact N-O 2.99Å; A44-A74 PolarHBondContact O-N 2.95Å; A74-V93 VanDerWaalsContact CA-O 3.24Å; A74-V93 WeakPolarHBondContact CA-O 3.47Å; A74-F94 HydrophobicContact CB-CB 3.93Å; A74-F123 HydrophobicContact CB-CB 4.27Å; A74-F123 HydrophobicContact CB-CD1 4.35Å; A74-F123 VanDerWaalsContact CB-O 3.23Å; A74-F123 WeakPolarHBondContact CB-O 3.47Å; A74-G126 VanDerWaalsContact CB-C 3.48Å; A74-A127 HydrophobicContact CB-CB 4.23Å; A74-A127 VanDerWaalsContact CB-N 3.33Å |
| 75 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | -149.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K41 V93 F123 | K41-G75 VanDerWaalsContact O-CA 3.31Å; K41-G75 WeakPolarHBondContact O-CA 3.34Å; G75-V93 PolarHBondContact N-O 3.34Å; G75-V93 PolarHBondContact O-N 3.28Å; G75-F123 WeakPolarHBondContact O-CE1 3.4Å |
| 76 | V | 98.9 | Very high | 98.3 | Very high | 34 Ų | 34 | 35 Ų | 35 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.6 | -173.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | I40 K41 E78 G90 D91 F123 | I40-V76 CarbonylContact C-O 3.52Å; I40-V76 WeakPolarHBondContact CA-O 3.36Å; K41-V76 PolarHBondContact N-O 2.76Å; K41-V76 PolarHBondContact O-N 3.16Å; V76-E78 PolarHBondContact O-N 3.26Å; V76-E78 VanDerWaalsContact O-N 3.17Å; V76-G90 VanDerWaalsContact CG1-CA 3.49Å; V76-D91 CarbonylContact C-O 3.48Å; V76-D91 WeakPolarHBondContact CA-O 3.48Å; V76-F123 HydrophobicContact CG2-CE1 4.23Å; V76-F123 HydrophobicContact CG2-CE2 4.34Å; V76-F123 HydrophobicContact CG2-CZ 3.6Å |
| 77 | I | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 118.1 | 171.5 | -61.4 | -72.6 | 0 | 0 | 0 | 108.8 | V38 I40 V80 F87 K88 K89 G90 D91 V93 V114 | V38-I77 HydrophobicContact CB-CD1 3.82Å; V38-I77 HydrophobicContact CG1-CD1 4.3Å; V38-I77 HydrophobicContact CG2-CD1 3.8Å; I40-I77 HydrophobicContact CG1-CD1 3.98Å; I77-V80 HydrophobicContact CG2-CG1 3.55Å; I77-F87 HydrophobicContact CD1-CB 4.29Å; I77-F87 HydrophobicContact CD1-CD1 4.26Å; I77-F87 HydrophobicContact CD1-CG 4.36Å; I77-F87 HydrophobicContact CG1-CB 4.33Å; I77-F87 HydrophobicContact CG1-CD1 4.34Å; I77-K88 WeakPolarHBondContact CB-O 3.44Å; I77-K88 WeakPolarHBondContact CG2-O 3.32Å; I77-K89 CarbonylContact O-C 3.59Å; I77-K89 WeakPolarHBondContact O-CA 3.4Å; I77-G90 PolarHBondContact O-N 2.93Å; I77-D91 HydrophobicContact CB-CB 4.35Å; I77-D91 HydrophobicContact CG1-CB 3.93Å; I77-D91 PolarHBondContact N-O 3Å; I77-V93 HydrophobicContact CD1-CG1 4.02Å; I77-V93 HydrophobicContact CD1-CG2 3.84Å; I77-V93 HydrophobicContact CG1-CG1 3.78Å; I77-V93 HydrophobicContact CG1-CG2 4Å; I77-V114 HydrophobicContact CD1-CG1 4.46Å |
| 78 | E | 98.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 38.1 Ų | 38.1 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -39.8 | 177.2 | -179.1 | 61.2 | -140.1 | 0 | 0 | 111.3 | L39 K41 V76 K89 Y106 | L39-E78 HydrophobicContact CD2-CB 4.2Å; L39-E78 HydrophobicContact CD2-CG 4.13Å; L39-E78 HydrophobicContact CG-CB 4.33Å; L39-E78 PolarHBondContact O-N 2.76Å; K41-E78 HydrophobicContact CB-CB 4.36Å; V76-E78 PolarHBondContact O-N 3.26Å; V76-E78 VanDerWaalsContact O-N 3.17Å; E78-K89 VanDerWaalsContact O-CD 3.27Å; E78-K89 WeakPolarHBondContact O-CD 3.1Å; E78-K89 WeakPolarHBondContact O-CE 3.47Å; E78-K89 WeakPolarHBondContact O-CG 3.38Å; E78-K89 PolarHBondContact O-NZ 2.97Å; E78-K89 WeakPolarHBondContact OE1-CE 3.21Å; E78-K89 IonicContact OE1-NZ 2.81Å; E78-K89 PolarHBondContact OE1-NZ 3.32Å; E78-Y106 HydrophobicContact CB-CD1 4.3Å; E78-Y106 HydrophobicContact CB-CE1 4.21Å; E78-Y106 HydrophobicContact CG-CD1 4.24Å; E78-Y106 HydrophobicContact CG-CE1 3.83Å |
| 79 | A | 98.6 | Very high | 98.3 | Very high | 34 Ų | 34 | 44 Ų | 44 | 28% | 0.281 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 158.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P33 L39 | P33-A79 HydrophobicContact CG-CB 3.81Å; L39-A79 HydrophobicContact CB-CB 4.2Å; L39-A79 HydrophobicContact CD2-CB 4.49Å; L39-A79 PolarHBondContact N-O 2.66Å; L39-A79 PolarHBondContact O-N 3.43Å |
| 80 | V | 98.7 | Very high | 98.3 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.3 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | V38 I77 A84 F87 | V38-V80 HydrophobicContact CG1-CB 4.41Å; V38-V80 HydrophobicContact CG1-CG1 3.98Å; I77-V80 HydrophobicContact CG2-CG1 3.55Å; V80-A84 HydrophobicContact CB-CB 4.32Å; V80-F87 HydrophobicContact CG1-CB 4.06Å |
| 81 | G | 98.2 | Very high | 98.3 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | trans | -77 | 166.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D35 Q37 N83 A84 | D35-G81 CarbonylContact O-C 3.56Å; D35-G81 VanDerWaalsContact O-CA 3.28Å; D35-G81 WeakPolarHBondContact O-CA 3.43Å; Q37-G81 PolarHBondContact O-N 3.27Å; G81-N83 PolarHBondContact O-N 3.47Å; G81-N83 VanDerWaalsContact O-N 3.11Å; G81-A84 PolarHBondContact O-N 3.33Å | ||
| 82 | D | 97.4 | Very high | 98.4 | Very high | 153 Ų | 153 | 47.6 Ų | 47.6 | 82% | 0.818 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29 | -169.1 | -57.2 | -37 | 0 | 0 | 0 | 114.1 | D35 | D35-D82 PolarHBondContact O-N 2.9Š|
| 83 | N | 98.1 | Very high | 98.4 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 0.4 | -175.9 | -66.8 | -35 | 0 | 0 | 0 | 114.1 | D35 H36 G81 S85 | D35-N83 PolarHBondContact O-N 2.95Å; D35-N83 VanDerWaalsContact O-N 3.11Å; D35-N83 WeakPolarHBondContact OD1-CB 3.19Å; D35-N83 PolarHBondContact OD1-ND2 2.82Å; H36-N83 PolarHBondContact CE1-O 2.72Å; H36-N83 PolarHBondContact ND1-O 2.86Å; G81-N83 PolarHBondContact O-N 3.47Å; G81-N83 VanDerWaalsContact O-N 3.11Å; N83-S85 PolarHBondContact O-N 3.4Å |
| 84 | A | 97.3 | Very high | 98.4 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | trans | -81.9 | 52.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | D35 V38 V80 G81 A86 F87 D111 | D35-A84 PolarHBondContact O-N 2.9Å; V38-A84 HydrophobicContact CG1-CB 3.74Å; V80-A84 HydrophobicContact CB-CB 4.32Å; G81-A84 PolarHBondContact O-N 3.33Å; A84-A86 VanDerWaalsContact C-N 3.26Å; A84-A86 PolarHBondContact O-N 2.74Å; A84-A86 VanDerWaalsContact O-N 3.13Å; A84-F87 PolarHBondContact O-N 3.16Å; A84-D111 HydrophobicContact CB-CB 4.14Å | ||
| 85 | S | 96.1 | Very high | 98.4 | Very high | 118 Ų | 118 | 47.7 Ų | 47.7 | 83% | 0.825 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.6 | -168.9 | 58.8 | 0 | 0 | 0 | 0 | 116 | N83 F87 | N83-S85 PolarHBondContact O-N 3.4Å; S85-F87 PolarHBondContact O-N 3.36Å |
| 86 | A | 97 | Very high | 98.3 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A84 K116 | A84-A86 VanDerWaalsContact C-N 3.26Å; A84-A86 PolarHBondContact O-N 2.74Å; A84-A86 VanDerWaalsContact O-N 3.13Å; A86-K116 WeakPolarHBondContact O-CE 3.46Å; A86-K116 PolarHBondContact O-NZ 3.35Å |
| 87 | F | 98.5 | Very high | 98.3 | Very high | 20 Ų | 20 | 47.6 Ų | 47.6 | 9% | 0.088 | 28% | 0.276 | C | S | . | . | trans | -128.1 | 152.6 | -174.4 | -60.2 | -79.6 | 0 | 0 | 0 | 112.1 | V38 I77 V80 A84 S85 V93 D111 V114 K116 | V38-F87 HydrophobicContact CG1-CB 4.16Å; V38-F87 HydrophobicContact CG1-CD2 4.08Å; V38-F87 HydrophobicContact CG1-CG 4.33Å; I77-F87 HydrophobicContact CD1-CB 4.29Å; I77-F87 HydrophobicContact CD1-CD1 4.26Å; I77-F87 HydrophobicContact CD1-CG 4.36Å; I77-F87 HydrophobicContact CG1-CB 4.33Å; I77-F87 HydrophobicContact CG1-CD1 4.34Å; V80-F87 HydrophobicContact CG1-CB 4.06Å; A84-F87 PolarHBondContact O-N 3.16Å; S85-F87 PolarHBondContact O-N 3.36Å; F87-V93 HydrophobicContact CD1-CG1 3.9Å; F87-V93 HydrophobicContact CE1-CG1 3.82Å; F87-D111 HydrophobicContact CD2-CB 4.18Å; F87-D111 HydrophobicContact CE2-CB 4.06Å; F87-D111 WeakPolarHBondContact CE2-O 3.46Å; F87-V114 HydrophobicContact CD1-CG1 4.41Å; F87-V114 HydrophobicContact CE1-CB 4.26Å; F87-V114 HydrophobicContact CE1-CG1 3.78Å; F87-V114 HydrophobicContact CE2-CB 4.1Å; F87-V114 HydrophobicContact CE2-CG1 4.42Å; F87-V114 HydrophobicContact CZ-CB 3.75Å; F87-V114 HydrophobicContact CZ-CG1 3.81Å; F87-V114 WeakPolarHBondContact CZ-O 3.44Å; F87-K116 HydrophobicContact CD1-CD 4.21Å; F87-K116 HydrophobicContact CE1-CD 3.98Å; F87-K116 VanDerWaalsContact CE1-CE 3.49Å | ||
| 88 | K | 98.5 | Very high | 98.3 | Very high | 132 Ų | 132 | 48.6 Ų | 48.6 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | trans | -138.6 | 159.8 | 170.5 | 65.3 | -177.7 | -172.6 | -57.8 | 0 | 110.3 | I77 G90 D91 | I77-K88 WeakPolarHBondContact CB-O 3.44Å; I77-K88 WeakPolarHBondContact CG2-O 3.32Å; K88-G90 PolarHBondContact O-N 2.78Å; K88-D91 WeakPolarHBondContact CG-OD1 3.25Å; K88-D91 PolarHBondContact N-OD2 3.41Å; K88-D91 IonicContact NZ-OD1 3.24Å; K88-D91 PolarHBondContact NZ-OD1 2.78Å; K88-D91 WeakPolarHBondContact O-CB 3.29Å; K88-D91 VanDerWaalsContact O-CG 3.27Å; K88-D91 PolarHBondContact O-N 2.77Å | ||
| 89 | K | 98.7 | Very high | 98.3 | Very high | 136 Ų | 136 | 50.5 Ų | 50.5 | 59% | 0.591 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 135.3 | 173.4 | -175.4 | 171.1 | -169.9 | 150.7 | 0 | 110.8 | I77 E78 | I77-K89 CarbonylContact O-C 3.59Å; I77-K89 WeakPolarHBondContact O-CA 3.4Å; E78-K89 VanDerWaalsContact O-CD 3.27Å; E78-K89 WeakPolarHBondContact O-CD 3.1Å; E78-K89 WeakPolarHBondContact O-CE 3.47Å; E78-K89 WeakPolarHBondContact O-CG 3.38Å; E78-K89 PolarHBondContact O-NZ 2.97Å; E78-K89 WeakPolarHBondContact OE1-CE 3.21Å; E78-K89 IonicContact OE1-NZ 2.81Å; E78-K89 PolarHBondContact OE1-NZ 3.32Å |
| 90 | G | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -12.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V76 I77 K88 R92 | V76-G90 VanDerWaalsContact CG1-CA 3.49Å; I77-G90 PolarHBondContact O-N 2.93Å; K88-G90 PolarHBondContact O-N 2.78Å; G90-R92 PolarHBondContact O-N 2.86Å |
| 91 | D | 98.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 48 Ų | 48 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | trans | -64.8 | 134.9 | 175.6 | -71.7 | -22.6 | 0 | 0 | 0 | 111.5 | V76 I77 K88 V93 K116 | V76-D91 CarbonylContact C-O 3.48Å; V76-D91 WeakPolarHBondContact CA-O 3.48Å; I77-D91 HydrophobicContact CB-CB 4.35Å; I77-D91 HydrophobicContact CG1-CB 3.93Å; I77-D91 PolarHBondContact N-O 3Å; K88-D91 WeakPolarHBondContact CG-OD1 3.25Å; K88-D91 PolarHBondContact N-OD2 3.41Å; K88-D91 IonicContact NZ-OD1 3.24Å; K88-D91 PolarHBondContact NZ-OD1 2.78Å; K88-D91 WeakPolarHBondContact O-CB 3.29Å; K88-D91 VanDerWaalsContact O-CG 3.27Å; K88-D91 PolarHBondContact O-N 2.77Å; D91-V93 HydrophobicContact CB-CG1 4.32Å; D91-K116 IonicContact OD1-NZ 3.81Å; D91-K116 IonicContact OD2-NZ 2.9Å; D91-K116 PolarHBondContact OD2-NZ 3.02Å | ||
| 92 | R | 98.9 | Very high | 98.3 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 15% | 0.151 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.1 | 172.1 | -57.7 | -176.3 | 68.2 | -132.7 | -13.8 | 109.6 | G90 L117 P118 E119 L121 F123 | G90-R92 PolarHBondContact O-N 2.86Å; R92-L117 HydrophobicContact CB-CB 4.29Å; R92-L117 PolarHBondContact O-N 3.34Å; R92-P118 PolarHBondContact NH1-O 2.86Å; R92-E119 VanDerWaalsContact CD-OE1 3.26Å; R92-E119 WeakPolarHBondContact CD-OE1 3.47Å; R92-E119 VanDerWaalsContact CD-OE2 3.32Å; R92-E119 WeakPolarHBondContact CD-OE2 3.41Å; R92-E119 IonicContact CZ-OE2 3.02Å; R92-E119 IonicContact NE-OE2 3.65Å; R92-E119 PolarHBondContact NH1-O 3.1Å; R92-E119 IonicContact NH1-OE2 2.61Å; R92-E119 PolarHBondContact NH1-OE2 3.46Å; R92-L121 PolarHBondContact NH1-O 2.84Å; R92-L121 PolarHBondContact NH2-O 3.38Å; R92-F123 HydrophobicContact CB-CE1 3.95Å; R92-F123 HydrophobicContact CB-CZ 4.36Å; R92-F123 HydrophobicContact CG-CE1 4.08Å; R92-F123 HydrophobicContact CG-CZ 3.96Å; R92-F123 VanDerWaalsContact NE-CZ 3.28Å |
| 93 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 160.5 | -172.7 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | I40 A74 G75 I77 F87 D91 V114 Y115 K116 | I40-V93 HydrophobicContact CD1-CG2 3.95Å; I40-V93 HydrophobicContact CG1-CG2 3.97Å; I40-V93 HydrophobicContact CG2-CG2 4.08Å; A74-V93 VanDerWaalsContact CA-O 3.24Å; A74-V93 WeakPolarHBondContact CA-O 3.47Å; G75-V93 PolarHBondContact N-O 3.34Å; G75-V93 PolarHBondContact O-N 3.28Å; I77-V93 HydrophobicContact CD1-CG1 4.02Å; I77-V93 HydrophobicContact CD1-CG2 3.84Å; I77-V93 HydrophobicContact CG1-CG1 3.78Å; I77-V93 HydrophobicContact CG1-CG2 4Å; F87-V93 HydrophobicContact CD1-CG1 3.9Å; F87-V93 HydrophobicContact CE1-CG1 3.82Å; D91-V93 HydrophobicContact CB-CG1 4.32Å; V93-V114 HydrophobicContact CB-CG1 3.6Å; V93-V114 HydrophobicContact CG1-CG1 3.79Å; V93-V114 HydrophobicContact CG2-CG1 3.94Å; V93-Y115 CarbonylContact C-O 3.56Å; V93-Y115 WeakPolarHBondContact CA-O 3.47Å; V93-Y115 WeakPolarHBondContact CB-O 3.44Å; V93-K116 HydrophobicContact CG1-CD 4.48Å |
| 94 | F | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 165.4 | 162.9 | 72.9 | -85.1 | 0 | 0 | 0 | 110.6 | V73 A74 Y115 K116 L117 G126 I129 F134 M290 | V73-F94 CarbonylContact O-C 3.45Å; V73-F94 WeakPolarHBondContact O-CA 3.3Å; A74-F94 HydrophobicContact CB-CB 3.93Å; F94-Y115 HydrophobicContact CD2-CD2 4.12Å; F94-Y115 AromaticContact CE2-CD2 3.61Å; F94-Y115 HydrophobicContact CE2-CD2 3.61Å; F94-Y115 HydrophobicContact CE2-CE2 4.47Å; F94-Y115 HydrophobicContact CE2-CG 4.12Å; F94-Y115 AromaticContact CZ-CD2 3.96Å; F94-Y115 HydrophobicContact CZ-CD2 3.96Å; F94-Y115 AromaticContact CZ-CG 3.97Å; F94-Y115 HydrophobicContact CZ-CG 3.97Å; F94-Y115 PolarHBondContact N-O 3.21Å; F94-Y115 PolarHBondContact O-N 3.22Å; F94-K116 WeakPolarHBondContact CE1-O 3.41Å; F94-L117 HydrophobicContact CD1-CB 4.22Å; F94-L117 HydrophobicContact CD1-CD1 4Å; F94-G126 WeakPolarHBondContact CB-O 3.23Å; F94-I129 HydrophobicContact CD1-CD1 4.12Å; F94-I129 HydrophobicContact CD2-CB 3.77Å; F94-I129 HydrophobicContact CD2-CD1 4.44Å; F94-I129 HydrophobicContact CD2-CG2 4.05Å; F94-I129 HydrophobicContact CE1-CD1 4.06Å; F94-I129 HydrophobicContact CE2-CB 3.66Å; F94-I129 HydrophobicContact CE2-CD1 4.4Å; F94-I129 HydrophobicContact CE2-CG2 3.38Å; F94-I129 HydrophobicContact CG-CB 4.41Å; F94-I129 HydrophobicContact CG-CD1 4.3Å; F94-I129 HydrophobicContact CZ-CB 4.19Å; F94-I129 HydrophobicContact CZ-CD1 4.2Å; F94-I129 HydrophobicContact CZ-CG2 3.66Å; F94-F134 HydrophobicContact CE2-CE2 4.17Å; F94-M290 HydrophobicContact CE1-CE 3.94Å; F94-M290 HydrophobicContact CE1-SD 4.35Å; F94-M290 HydrophobicContact CZ-CE 4.24Å |
| 95 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.9 | -175.8 | 64 | 0 | 0 | 0 | 0 | 113.3 | I40 S71 V73 S97 A109 T113 V114 G130 | I40-T95 HydrophobicContact CD1-CG2 3.4Å; I40-T95 VanDerWaalsContact CD1-CG2 3.4Å; S71-T95 PolarHBondContact O-OG1 3.4Å; V73-T95 HydrophobicContact CG2-CG2 3.58Å; V73-T95 VanDerWaalsContact CG2-OG1 3.28Å; V73-T95 WeakPolarHBondContact CG2-OG1 3.49Å; V73-T95 PolarHBondContact N-OG1 2.88Å; V73-T95 PolarHBondContact O-N 3.07Å; V73-T95 PolarHBondContact O-OG1 3.23Å; T95-S97 WeakPolarHBondContact CB-O 3.28Å; T95-A109 HydrophobicContact CG2-CB 4.27Å; T95-T113 VanDerWaalsContact CA-O 3.3Å; T95-T113 WeakPolarHBondContact CA-O 3.45Å; T95-V114 HydrophobicContact CG2-CB 4.45Å; T95-V114 HydrophobicContact CG2-CG1 4.36Å; T95-V114 HydrophobicContact CG2-CG2 3.92Å; T95-G130 VanDerWaalsContact O-CA 3.23Å; T95-G130 WeakPolarHBondContact O-CA 3.38Å |
| 96 | S | 98.3 | Very high | 98.6 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -109.1 | -2.6 | 163.9 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | T113 Y115 | S96-T113 PolarHBondContact N-O 3.44Å; S96-Y115 WeakPolarHBondContact OG-CE2 3.26Å; S96-Y115 PolarHBondContact OG-OH 3.33Å |
| 97 | S | 98.1 | Very high | 98.7 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 22% | 0.217 | 16% | 0.163 | C | C | . | . | trans | -160.8 | 154.2 | 174.2 | -168 | 0 | 0 | 0 | 0 | 110.4 | S71 T95 T113 | S71-S97 CarbonylContact O-C 3.13Å; S71-S97 PolarHBondContact O-N 2.83Å; T95-S97 WeakPolarHBondContact CB-O 3.28Å; S97-T113 PolarHBondContact O-OG1 3.4Å; S97-T113 VanDerWaalsContact O-OG1 3.12Å | ||
| 98 | T | 98.6 | Very high | 98.7 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 13% | 0.129 | 16% | 0.162 | C | C | . | . | trans | -129.5 | 155.4 | 168.4 | 68.4 | 0 | 0 | 0 | 0 | 109.3 | G70 V73 G101 G102 A107 | G70-T98 PolarHBondContact O-OG1 3.22Å; V73-T98 HydrophobicContact CG1-CG2 4.12Å; V73-T98 HydrophobicContact CG2-CG2 4.09Å; T98-G101 VanDerWaalsContact OG1-C 3.31Å; T98-G101 WeakPolarHBondContact OG1-CA 3.37Å; T98-G101 PolarHBondContact OG1-N 2.92Å; T98-G101 VanDerWaalsContact OG1-N 3.12Å; T98-G102 PolarHBondContact OG1-N 3.2Å; T98-A107 HydrophobicContact CG2-CB 4.13Å | ||
| 99 | I | 98.4 | Very high | 98.7 | Very high | 92 Ų | 92 | 24.2 Ų | 24.2 | 47% | 0.472 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -84.7 | -48.2 | 174.5 | -62 | 169.6 | 0 | 0 | 0 | 109.6 | Q37 L108 A110 | Q37-I99 HydrophobicContact CG-CD1 3.79Å; I99-L108 HydrophobicContact CB-CB 4.48Å; I99-L108 HydrophobicContact CB-CD2 4.44Å; I99-L108 HydrophobicContact CB-CG 4.48Å; I99-L108 HydrophobicContact CD1-CG 4.44Å; I99-L108 HydrophobicContact CG2-CD2 4.29Å; I99-L108 PolarHBondContact N-O 3.13Å; I99-A110 HydrophobicContact CD1-CB 4.17Å |
| 100 | S | 98.5 | Very high | 98.7 | Very high | 35 Ų | 35 | 18.6 Ų | 18.6 | 25% | 0.245 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -89.7 | -12.1 | -174 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | T68 L108 | T68-S100 WeakPolarHBondContact CB-O 3.22Å; S100-L108 PolarHBondContact N-O 2.99Å; S100-L108 PolarHBondContact OG-N 2.97Å |
| 101 | G | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | trans | 99.5 | 140.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113 | T68 P69 T98 A107 | T68-G101 WeakPolarHBondContact O-CA 3.21Å; P69-G101 CarbonylContact O-C 3.35Å; T98-G101 VanDerWaalsContact OG1-C 3.31Å; T98-G101 WeakPolarHBondContact OG1-CA 3.37Å; T98-G101 PolarHBondContact OG1-N 2.92Å; T98-G101 VanDerWaalsContact OG1-N 3.12Å; G101-A107 WeakPolarHBondContact O-CB 3.23Å | ||
| 102 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -92.6 | -14 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | C45 P69 G70 T98 A104 | C45-G102 WeakPolarHBondContact CB-O 3.42Å; P69-G102 PolarHBondContact O-N 2.87Å; G70-G102 PolarHBondContact O-N 3.49Å; T98-G102 PolarHBondContact OG1-N 3.2Å; G102-A104 PolarHBondContact O-N 3.36Å |
| 103 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -79 | 57.3 | 174.8 | -66.2 | -1.5 | 0 | 0 | 0 | 111.2 | A10 V11 C45 E51 P69 V308 H312 L327 | A10-Y103 WeakPolarHBondContact CA-O 3.38Å; V11-Y103 HydrophobicContact CB-CD2 4.36Å; V11-Y103 HydrophobicContact CG1-CD2 4.45Å; V11-Y103 PolarHBondContact N-O 3.31Å; C45-Y103 HydrophobicContact CB-CD1 4.04Å; C45-Y103 HydrophobicContact CB-CE1 4.35Å; C45-Y103 VanDerWaalsContact SG-CD1 3.52Å; E51-Y103 PolarHBondContact OE2-OH 2.85Å; P69-Y103 HydrophobicContact CB-CD2 3.66Å; P69-Y103 HydrophobicContact CB-CE2 3.77Å; P69-Y103 HydrophobicContact CB-CG 4.33Å; P69-Y103 HydrophobicContact CG-CD2 3.98Å; P69-Y103 HydrophobicContact CG-CE2 4.3Å; P69-Y103 WeakPolarHBondContact O-CB 3.2Å; P69-Y103 PolarHBondContact O-N 2.93Å; Y103-V308 HydrophobicContact CD2-CG2 3.68Å; Y103-V308 HydrophobicContact CE2-CG2 3.58Å; Y103-H312 AromaticContact CE2-NE2 3.34Å; Y103-H312 VanDerWaalsContact CE2-NE2 3.34Å; Y103-H312 WeakPolarHBondContact CE2-NE2 3.32Å; Y103-H312 AromaticContact CZ-NE2 3.66Å; Y103-H312 PolarHBondContact OH-NE2 3.08Å; Y103-L327 HydrophobicContact CD1-CD1 3.47Å; Y103-L327 VanDerWaalsContact CD1-CD1 3.47Å; Y103-L327 HydrophobicContact CD2-CD1 3.87Å; Y103-L327 HydrophobicContact CE1-CD1 3.52Å; Y103-L327 HydrophobicContact CE1-CG 4.29Å; Y103-L327 HydrophobicContact CE2-CD1 3.91Å; Y103-L327 HydrophobicContact CG-CD1 3.66Å |
| 104 | A | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -154.6 | 158.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M8 R9 A10 V42 T68 G102 Y106 L329 | M8-A104 HydrophobicContact CE-CB 4.02Å; M8-A104 HydrophobicContact SD-CB 4.27Å; R9-A104 WeakPolarHBondContact O-CA 3.26Å; A10-A104 HydrophobicContact CB-CB 3.56Å; V42-A104 VanDerWaalsContact CB-O 3.31Å; V42-A104 WeakPolarHBondContact CB-O 3.38Å; V42-A104 WeakPolarHBondContact CG2-O 3.47Å; T68-A104 HydrophobicContact CG2-CB 4.37Å; G102-A104 PolarHBondContact O-N 3.36Å; A104-Y106 WeakPolarHBondContact CB-O 3.39Å; A104-Y106 PolarHBondContact O-N 3.09Å; A104-L329 WeakPolarHBondContact O-CD1 3.46Å |
| 105 | E | 98.9 | Very high | 98.6 | Very high | 46 Ų | 46 | 22.3 Ų | 22.3 | 22% | 0.215 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -67.6 | -26.7 | 175.5 | -63.2 | 174.9 | 146.1 | 0 | 0 | 112.6 | M8 R9 V42 | M8-E105 WeakPolarHBondContact CA-OE2 3.27Å; M8-E105 HydrophobicContact CB-CB 4.26Å; R9-E105 HydrophobicContact CB-CG 4.07Å; R9-E105 IonicContact CZ-OE1 3.96Å; R9-E105 VanDerWaalsContact CZ-OE1 3.27Å; R9-E105 PolarHBondContact N-OE2 3.42Å; R9-E105 IonicContact NE-OE1 3.96Å; R9-E105 PolarHBondContact NE-OE1 3.41Å; R9-E105 IonicContact NH2-OE1 2.63Å; R9-E105 PolarHBondContact NH2-OE1 3.48Å; R9-E105 PolarHBondContact O-N 3.08Å; V42-E105 PolarHBondContact N-O 3Å |
| 106 | Y | 98.9 | Very high | 98.6 | Very high | 17 Ų | 17 | 26.1 Ų | 26.1 | 7% | 0.067 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.3 | 170.5 | -59 | -100.1 | 0 | 0 | 0 | 110.6 | K6 M8 V30 L39 I40 K41 E78 A104 | K6-Y106 PolarHBondContact NZ-OH 3.06Å; M8-Y106 HydrophobicContact CB-CD2 4.12Å; M8-Y106 HydrophobicContact SD-CD2 4.02Å; M8-Y106 HydrophobicContact SD-CG 4.38Å; V30-Y106 HydrophobicContact CG1-CD1 4.43Å; V30-Y106 HydrophobicContact CG1-CD2 4.37Å; V30-Y106 HydrophobicContact CG1-CG 4.08Å; V30-Y106 HydrophobicContact CG2-CD2 3.96Å; V30-Y106 HydrophobicContact CG2-CE2 4.39Å; V30-Y106 HydrophobicContact CG2-CG 4.47Å; L39-Y106 HydrophobicContact CD2-CD1 4.19Å; L39-Y106 HydrophobicContact CG-CD1 4.3Å; I40-Y106 CarbonylContact O-C 3.57Å; I40-Y106 WeakPolarHBondContact O-CA 3.39Å; K41-Y106 HydrophobicContact CB-CD1 4Å; K41-Y106 HydrophobicContact CB-CE1 3.7Å; K41-Y106 HydrophobicContact CD-CE1 4.28Å; K41-Y106 HydrophobicContact CG-CD1 4.38Å; K41-Y106 HydrophobicContact CG-CE1 3.8Å; E78-Y106 HydrophobicContact CB-CD1 4.3Å; E78-Y106 HydrophobicContact CB-CE1 4.21Å; E78-Y106 HydrophobicContact CG-CD1 4.24Å; E78-Y106 HydrophobicContact CG-CE1 3.83Å; A104-Y106 WeakPolarHBondContact CB-O 3.39Å; A104-Y106 PolarHBondContact O-N 3.09Å |
| 107 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | I40 V42 V73 T98 G101 | I40-A107 PolarHBondContact N-O 3.22Å; I40-A107 PolarHBondContact O-N 3.28Å; V42-A107 HydrophobicContact CG2-CB 3.7Å; V73-A107 HydrophobicContact CG1-CB 4.12Å; V73-A107 HydrophobicContact CG2-CB 4.34Å; T98-A107 HydrophobicContact CG2-CB 4.13Å; G101-A107 WeakPolarHBondContact O-CB 3.23Å |
| 108 | L | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.4 | 170.4 | -165.9 | 70.8 | 0 | 0 | 0 | 108.8 | P31 P33 Q37 V38 L39 I99 S100 | P31-L108 HydrophobicContact CB-CB 4.05Å; P31-L108 HydrophobicContact CB-CD1 4.33Å; P31-L108 HydrophobicContact CB-CD2 4.23Å; P31-L108 HydrophobicContact CB-CG 4.45Å; P31-L108 HydrophobicContact CG-CB 4.39Å; P33-L108 HydrophobicContact CB-CD1 3.68Å; Q37-L108 HydrophobicContact CB-CD1 4.04Å; Q37-L108 HydrophobicContact CB-CG 4.38Å; V38-L108 WeakPolarHBondContact O-CA 3.28Å; L39-L108 HydrophobicContact CD1-CD1 4.47Å; I99-L108 HydrophobicContact CB-CB 4.48Å; I99-L108 HydrophobicContact CB-CD2 4.44Å; I99-L108 HydrophobicContact CB-CG 4.48Å; I99-L108 HydrophobicContact CD1-CG 4.44Å; I99-L108 HydrophobicContact CG2-CD2 4.29Å; I99-L108 PolarHBondContact N-O 3.13Å; S100-L108 PolarHBondContact N-O 2.99Å; S100-L108 PolarHBondContact OG-N 2.97Å |
| 109 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q37 V38 I40 T95 V114 | Q37-A109 CarbonylContact C-O 3.46Å; Q37-A109 VanDerWaalsContact CA-O 3.3Å; Q37-A109 WeakPolarHBondContact CA-O 3.23Å; V38-A109 HydrophobicContact CG2-CB 4.35Å; V38-A109 PolarHBondContact N-O 3.33Å; V38-A109 PolarHBondContact O-N 2.77Å; I40-A109 HydrophobicContact CD1-CB 4.2Å; T95-A109 HydrophobicContact CG2-CB 4.27Å; A109-V114 HydrophobicContact CB-CG2 3.67Å |
| 110 | A | 98.6 | Very high | 98.5 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 136.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | I99 H112 T113 V114 | I99-A110 HydrophobicContact CD1-CB 4.17Å; A110-H112 VanDerWaalsContact CB-CE1 3.45Å; A110-H112 WeakPolarHBondContact CB-CE1 3.39Å; A110-H112 PolarHBondContact O-N 3.41Å; A110-H112 VanDerWaalsContact O-N 3.15Å; A110-T113 PolarHBondContact O-N 2.99Å; A110-T113 PolarHBondContact O-OG1 2.92Å; A110-V114 WeakPolarHBondContact O-CG2 3.42Å |
| 111 | D | 98.3 | Very high | 98.5 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 14% | 0.139 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -51.8 | -38.9 | -175.2 | 61.4 | -0.6 | 0 | 0 | 0 | 113.8 | H36 V38 A84 F87 T113 V114 | H36-D111 IonicContact CE1-OD2 3.77Å; H36-D111 IonicContact CG-OD2 3.57Å; H36-D111 IonicContact ND1-OD1 3.63Å; H36-D111 IonicContact ND1-OD2 3.46Å; H36-D111 PolarHBondContact ND1-OD2 3.37Å; H36-D111 WeakPolarHBondContact O-CB 3.47Å; H36-D111 VanDerWaalsContact O-CG 3.31Å; H36-D111 PolarHBondContact O-N 3.09Å; V38-D111 HydrophobicContact CG1-CB 4.49Å; A84-D111 HydrophobicContact CB-CB 4.14Å; F87-D111 HydrophobicContact CD2-CB 4.18Å; F87-D111 HydrophobicContact CE2-CB 4.06Å; F87-D111 WeakPolarHBondContact CE2-O 3.46Å; D111-T113 PolarHBondContact O-N 3.4Å; D111-V114 PolarHBondContact O-N 3.22Å; D111-V114 VanDerWaalsContact O-N 3.08Å |
| 112 | H | 97.6 | Very high | 98.5 | Very high | 112 Ų | 112 | 35.8 Ų | 35.8 | 52% | 0.519 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -70.3 | -7.9 | 179.3 | 70.9 | -86.7 | 0 | 0 | 0 | 114.6 | A110 | A110-H112 VanDerWaalsContact CB-CE1 3.45Å; A110-H112 WeakPolarHBondContact CB-CE1 3.39Å; A110-H112 PolarHBondContact O-N 3.41Å; A110-H112 VanDerWaalsContact O-N 3.15Å |
| 113 | T | 98.4 | Very high | 98.5 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -107.3 | 8.9 | 173.1 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | T95 S96 S97 A110 D111 Y115 | T95-T113 VanDerWaalsContact CA-O 3.3Å; T95-T113 WeakPolarHBondContact CA-O 3.45Å; S96-T113 PolarHBondContact N-O 3.44Å; S97-T113 PolarHBondContact O-OG1 3.4Å; S97-T113 VanDerWaalsContact O-OG1 3.12Å; A110-T113 PolarHBondContact O-N 2.99Å; A110-T113 PolarHBondContact O-OG1 2.92Å; D111-T113 PolarHBondContact O-N 3.4Å; T113-Y115 WeakPolarHBondContact O-CE2 3.49Å |
| 114 | V | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.7 | 179.1 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | V38 I40 I77 F87 V93 T95 A109 A110 D111 | V38-V114 HydrophobicContact CG2-CB 4.44Å; V38-V114 HydrophobicContact CG2-CG1 4.48Å; V38-V114 HydrophobicContact CG2-CG2 3.6Å; I40-V114 HydrophobicContact CD1-CG1 4.27Å; I40-V114 HydrophobicContact CD1-CG2 4.24Å; I77-V114 HydrophobicContact CD1-CG1 4.46Å; F87-V114 HydrophobicContact CD1-CG1 4.41Å; F87-V114 HydrophobicContact CE1-CB 4.26Å; F87-V114 HydrophobicContact CE1-CG1 3.78Å; F87-V114 HydrophobicContact CE2-CB 4.1Å; F87-V114 HydrophobicContact CE2-CG1 4.42Å; F87-V114 HydrophobicContact CZ-CB 3.75Å; F87-V114 HydrophobicContact CZ-CG1 3.81Å; F87-V114 WeakPolarHBondContact CZ-O 3.44Å; V93-V114 HydrophobicContact CB-CG1 3.6Å; V93-V114 HydrophobicContact CG1-CG1 3.79Å; V93-V114 HydrophobicContact CG2-CG1 3.94Å; T95-V114 HydrophobicContact CG2-CB 4.45Å; T95-V114 HydrophobicContact CG2-CG1 4.36Å; T95-V114 HydrophobicContact CG2-CG2 3.92Å; A109-V114 HydrophobicContact CB-CG2 3.67Å; A110-V114 WeakPolarHBondContact O-CG2 3.42Å; D111-V114 PolarHBondContact O-N 3.22Å; D111-V114 VanDerWaalsContact O-N 3.08Å |
| 115 | Y | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 43 Ų | 43 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.7 | -177.8 | -46.5 | -83.1 | 0 | 0 | 0 | 109.8 | V93 F94 S96 T113 F134 A283 | V93-Y115 CarbonylContact C-O 3.56Å; V93-Y115 WeakPolarHBondContact CA-O 3.47Å; V93-Y115 WeakPolarHBondContact CB-O 3.44Å; F94-Y115 HydrophobicContact CD2-CD2 4.12Å; F94-Y115 AromaticContact CE2-CD2 3.61Å; F94-Y115 HydrophobicContact CE2-CD2 3.61Å; F94-Y115 HydrophobicContact CE2-CE2 4.47Å; F94-Y115 HydrophobicContact CE2-CG 4.12Å; F94-Y115 AromaticContact CZ-CD2 3.96Å; F94-Y115 HydrophobicContact CZ-CD2 3.96Å; F94-Y115 AromaticContact CZ-CG 3.97Å; F94-Y115 HydrophobicContact CZ-CG 3.97Å; F94-Y115 PolarHBondContact N-O 3.21Å; F94-Y115 PolarHBondContact O-N 3.22Å; S96-Y115 WeakPolarHBondContact OG-CE2 3.26Å; S96-Y115 PolarHBondContact OG-OH 3.33Å; T113-Y115 WeakPolarHBondContact O-CE2 3.49Å; Y115-F134 HydrophobicContact CD1-CZ 4.3Å; Y115-F134 HydrophobicContact CD2-CE2 4.37Å; Y115-F134 HydrophobicContact CD2-CZ 4.16Å; Y115-F134 HydrophobicContact CE1-CE1 4.26Å; Y115-F134 AromaticContact CE1-CZ 3.78Å; Y115-F134 HydrophobicContact CE1-CZ 3.78Å; Y115-F134 HydrophobicContact CE2-CE1 4.4Å; Y115-F134 AromaticContact CE2-CE2 3.99Å; Y115-F134 HydrophobicContact CE2-CE2 3.99Å; Y115-F134 AromaticContact CE2-CZ 3.62Å; Y115-F134 HydrophobicContact CE2-CZ 3.62Å; Y115-F134 HydrophobicContact CG-CZ 4.47Å; Y115-F134 AromaticContact CZ-CE1 3.84Å; Y115-F134 AromaticContact CZ-CZ 3.4Å; Y115-A283 HydrophobicContact CD1-CB 3.72Å; Y115-A283 HydrophobicContact CE1-CB 3.49Å; Y115-A283 VanDerWaalsContact CE1-CB 3.49Å |
| 116 | K | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 40.9 Ų | 40.9 | 35% | 0.348 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 138.6 | 177.3 | -56.8 | -72.1 | 174.6 | 154.7 | 0 | 110 | A86 F87 D91 V93 F94 Q287 | A86-K116 WeakPolarHBondContact O-CE 3.46Å; A86-K116 PolarHBondContact O-NZ 3.35Å; F87-K116 HydrophobicContact CD1-CD 4.21Å; F87-K116 HydrophobicContact CE1-CD 3.98Å; F87-K116 VanDerWaalsContact CE1-CE 3.49Å; D91-K116 IonicContact OD1-NZ 3.81Å; D91-K116 IonicContact OD2-NZ 2.9Å; D91-K116 PolarHBondContact OD2-NZ 3.02Å; V93-K116 HydrophobicContact CG1-CD 4.48Å; F94-K116 WeakPolarHBondContact CE1-O 3.41Å; K116-Q287 PolarHBondContact O-NE2 2.85Å |
| 117 | L | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -99.7 | 119.7 | 175.3 | -175.9 | 65.3 | 0 | 0 | 0 | 109.3 | R92 F94 L121 F123 I129 | R92-L117 HydrophobicContact CB-CB 4.29Å; R92-L117 PolarHBondContact O-N 3.34Å; F94-L117 HydrophobicContact CD1-CB 4.22Å; F94-L117 HydrophobicContact CD1-CD1 4Å; L117-L121 HydrophobicContact CD1-CB 3.9Å; L117-L121 HydrophobicContact CD1-CD1 4.3Å; L117-L121 HydrophobicContact CG-CB 4.41Å; L117-F123 HydrophobicContact CD2-CD1 3.64Å; L117-F123 HydrophobicContact CD2-CE1 4.1Å; L117-I129 HydrophobicContact CD1-CD1 4.04Å |
| 118 | P | 98.1 | Very high | 98.5 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -61 | 150.5 | 178.6 | -27.8 | 37.7 | 0 | 0 | 0 | 113.7 | R92 K120 L121 M290 | R92-P118 PolarHBondContact NH1-O 2.86Å; P118-K120 HydrophobicContact CB-CG 4.36Å; P118-K120 PolarHBondContact O-N 2.81Å; P118-K120 VanDerWaalsContact O-N 3.11Å; P118-L121 PolarHBondContact O-N 3.23Å; P118-M290 HydrophobicContact CG-CB 3.95Å; P118-M290 HydrophobicContact CG-CE 4.19Å; P118-M290 HydrophobicContact CG-SD 4.09Å |
| 119 | E | 97 | Very high | 98.5 | Very high | 148 Ų | 148 | 39.4 Ų | 39.4 | 69% | 0.692 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -34.3 | -173.8 | -74 | -57.4 | 156.8 | 0 | 0 | 114.4 | R92 L121 | R92-E119 VanDerWaalsContact CD-OE1 3.26Å; R92-E119 WeakPolarHBondContact CD-OE1 3.47Å; R92-E119 VanDerWaalsContact CD-OE2 3.32Å; R92-E119 WeakPolarHBondContact CD-OE2 3.41Å; R92-E119 IonicContact CZ-OE2 3.02Å; R92-E119 IonicContact NE-OE2 3.65Å; R92-E119 PolarHBondContact NH1-O 3.1Å; R92-E119 IonicContact NH1-OE2 2.61Å; R92-E119 PolarHBondContact NH1-OE2 3.46Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 3.39Å |
| 120 | K | 97.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 39.4 Ų | 39.4 | 52% | 0.522 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -8.4 | -179.2 | 66.1 | -177.6 | -178.3 | 174.9 | 0 | 115.5 | P118 M290 E291 | P118-K120 HydrophobicContact CB-CG 4.36Å; P118-K120 PolarHBondContact O-N 2.81Å; P118-K120 VanDerWaalsContact O-N 3.11Å; K120-M290 WeakPolarHBondContact CE-O 3.3Å; K120-M290 PolarHBondContact NZ-O 3.4Å; K120-E291 VanDerWaalsContact NZ-C 3.31Å; K120-E291 PolarHBondContact NZ-O 3.28Å |
| 121 | L | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -107.4 | 132 | 174.7 | -63.4 | -176.5 | 0 | 0 | 0 | 109.3 | R92 L117 P118 E119 Q125 I129 M290 | R92-L121 PolarHBondContact NH1-O 2.84Å; R92-L121 PolarHBondContact NH2-O 3.38Å; L117-L121 HydrophobicContact CD1-CB 3.9Å; L117-L121 HydrophobicContact CD1-CD1 4.3Å; L117-L121 HydrophobicContact CG-CB 4.41Å; P118-L121 PolarHBondContact O-N 3.23Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 3.39Å; L121-Q125 HydrophobicContact CB-CB 4.38Å; L121-I129 HydrophobicContact CD1-CD1 4.29Å; L121-M290 HydrophobicContact CD1-CB 4.2Å; L121-M290 HydrophobicContact CD1-CG 3.72Å; L121-M290 HydrophobicContact CD1-SD 3.54Å; L121-M290 VanDerWaalsContact CD1-SD 3.54Å |
| 122 | D | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 38.1 Ų | 38.1 | 41% | 0.406 | 18% | 0.18 | S | C | . | . | trans | -77.2 | 170 | 174.9 | 75.3 | 26.9 | 0 | 0 | 0 | 111.6 | K124 Q125 G126 | D122-K124 VanDerWaalsContact C-N 3.27Å; D122-K124 PolarHBondContact O-N 3.04Å; D122-K124 WeakPolarHBondContact OD1-CA 3.41Å; D122-K124 VanDerWaalsContact OD1-CB 3.24Å; D122-K124 WeakPolarHBondContact OD1-CB 3.24Å; D122-K124 PolarHBondContact OD1-N 3.09Å; D122-Q125 PolarHBondContact O-N 2.92Å; D122-Q125 WeakPolarHBondContact OD1-CG 3.32Å; D122-Q125 PolarHBondContact OD1-N 3.36Å; D122-G126 PolarHBondContact O-N 2.82Å | ||
| 123 | F | 98.9 | Very high | 98.6 | Very high | 36 Ų | 36 | 33 Ų | 33 | 16% | 0.158 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.2 | -25.5 | 179.9 | -61.5 | -60.6 | 0 | 0 | 0 | 113.3 | H43 A74 G75 V76 R92 L117 Q125 G126 A127 | H43-F123 HydrophobicContact CB-CB 3.68Å; H43-F123 HydrophobicContact CB-CD2 3.84Å; H43-F123 HydrophobicContact CB-CG 3.87Å; H43-F123 AromaticContact CG-CD2 3.62Å; H43-F123 AromaticContact ND1-CD2 3.73Å; A74-F123 HydrophobicContact CB-CB 4.27Å; A74-F123 HydrophobicContact CB-CD1 4.35Å; A74-F123 VanDerWaalsContact CB-O 3.23Å; A74-F123 WeakPolarHBondContact CB-O 3.47Å; G75-F123 WeakPolarHBondContact O-CE1 3.4Å; V76-F123 HydrophobicContact CG2-CE1 4.23Å; V76-F123 HydrophobicContact CG2-CE2 4.34Å; V76-F123 HydrophobicContact CG2-CZ 3.6Å; R92-F123 HydrophobicContact CB-CE1 3.95Å; R92-F123 HydrophobicContact CB-CZ 4.36Å; R92-F123 HydrophobicContact CG-CE1 4.08Å; R92-F123 HydrophobicContact CG-CZ 3.96Å; R92-F123 VanDerWaalsContact NE-CZ 3.28Å; L117-F123 HydrophobicContact CD2-CD1 3.64Å; L117-F123 HydrophobicContact CD2-CE1 4.1Å; F123-Q125 VanDerWaalsContact C-N 3.33Å; F123-G126 PolarHBondContact O-N 3.38Å; F123-A127 PolarHBondContact O-N 2.93Å |
| 124 | K | 98.9 | Very high | 98.6 | Very high | 75 Ų | 75 | 32.2 Ų | 32.2 | 33% | 0.326 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 175.3 | -59 | -179.2 | 179.8 | -173.1 | 0 | 109.2 | D122 A127 I299 I326 L328 | D122-K124 VanDerWaalsContact C-N 3.27Å; D122-K124 PolarHBondContact O-N 3.04Å; D122-K124 WeakPolarHBondContact OD1-CA 3.41Å; D122-K124 VanDerWaalsContact OD1-CB 3.24Å; D122-K124 WeakPolarHBondContact OD1-CB 3.24Å; D122-K124 PolarHBondContact OD1-N 3.09Å; K124-A127 PolarHBondContact O-N 2.92Å; K124-I299 HydrophobicContact CB-CD1 4.44Å; K124-I299 HydrophobicContact CB-CG1 4.09Å; K124-I299 WeakPolarHBondContact O-CD1 3.34Å; K124-I326 HydrophobicContact CB-CD1 3.54Å; K124-I326 HydrophobicContact CD-CD1 4.28Å; K124-I326 HydrophobicContact CG-CD1 3.81Å; K124-L328 HydrophobicContact CD-CD2 4.32Å; K124-L328 HydrophobicContact CG-CD2 4.16Å |
| 125 | Q | 98.9 | Very high | 98.6 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 173.1 | -66.1 | -177.2 | -61.5 | 0 | 0 | 111.7 | L121 D122 F123 A127 A128 I129 P297 I299 | L121-Q125 HydrophobicContact CB-CB 4.38Å; D122-Q125 PolarHBondContact O-N 2.92Å; D122-Q125 WeakPolarHBondContact OD1-CG 3.32Å; D122-Q125 PolarHBondContact OD1-N 3.36Å; F123-Q125 VanDerWaalsContact C-N 3.33Å; Q125-A127 VanDerWaalsContact C-N 3.29Å; Q125-A127 PolarHBondContact O-N 3.06Å; Q125-A128 WeakPolarHBondContact O-CB 3.41Å; Q125-A128 PolarHBondContact O-N 2.75Å; Q125-I129 WeakPolarHBondContact O-CG1 3.37Å; Q125-P297 HydrophobicContact CB-CB 4.04Å; Q125-P297 HydrophobicContact CB-CG 4.09Å; Q125-P297 HydrophobicContact CG-CB 4.45Å; Q125-P297 PolarHBondContact NE2-O 2.93Å; Q125-P297 VanDerWaalsContact NE2-O 3.16Å; Q125-P297 WeakPolarHBondContact O-CB 3.25Å; Q125-P297 WeakPolarHBondContact O-CG 3.46Å; Q125-I299 HydrophobicContact CG-CG1 4.43Å |
| 126 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A74 F94 D122 F123 A128 I129 | A74-G126 VanDerWaalsContact CB-C 3.48Å; F94-G126 WeakPolarHBondContact CB-O 3.23Å; D122-G126 PolarHBondContact O-N 2.82Å; F123-G126 PolarHBondContact O-N 3.38Å; G126-A128 PolarHBondContact O-N 3.31Å; G126-A128 VanDerWaalsContact O-N 3.1Å; G126-I129 PolarHBondContact O-N 3.35Å; G126-I129 VanDerWaalsContact O-N 3.12Å |
| 127 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | A44 G46 A74 F123 K124 Q125 I326 | A44-A127 HydrophobicContact CB-CB 3.64Å; G46-A127 VanDerWaalsContact CA-O 3.23Å; G46-A127 WeakPolarHBondContact CA-O 3.36Å; G46-A127 PolarHBondContact N-O 2.93Å; A74-A127 HydrophobicContact CB-CB 4.23Å; A74-A127 VanDerWaalsContact CB-N 3.33Å; F123-A127 PolarHBondContact O-N 2.93Å; K124-A127 PolarHBondContact O-N 2.92Å; Q125-A127 VanDerWaalsContact C-N 3.29Å; Q125-A127 PolarHBondContact O-N 3.06Å; A127-I326 HydrophobicContact CB-CG2 4.36Å |
| 128 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -0.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q125 G126 P132 Y133 P297 I299 K324 | Q125-A128 WeakPolarHBondContact O-CB 3.41Å; Q125-A128 PolarHBondContact O-N 2.75Å; G126-A128 PolarHBondContact O-N 3.31Å; G126-A128 VanDerWaalsContact O-N 3.1Å; A128-P132 WeakPolarHBondContact O-CB 3.42Å; A128-P132 WeakPolarHBondContact O-CG 3.48Å; A128-Y133 WeakPolarHBondContact O-CD2 3.31Å; A128-P297 HydrophobicContact CB-CB 3.67Å; A128-I299 HydrophobicContact CB-CD1 3.7Å; A128-K324 HydrophobicContact CB-CB 3.6Å; A128-K324 HydrophobicContact CB-CD 4.49Å; A128-K324 HydrophobicContact CB-CG 3.56Å |
| 129 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -53.9 | -173.5 | -55.2 | 172.8 | 0 | 0 | 0 | 112 | F94 L117 L121 Q125 G126 Y133 M290 P297 | F94-I129 HydrophobicContact CD1-CD1 4.12Å; F94-I129 HydrophobicContact CD2-CB 3.77Å; F94-I129 HydrophobicContact CD2-CD1 4.44Å; F94-I129 HydrophobicContact CD2-CG2 4.05Å; F94-I129 HydrophobicContact CE1-CD1 4.06Å; F94-I129 HydrophobicContact CE2-CB 3.66Å; F94-I129 HydrophobicContact CE2-CD1 4.4Å; F94-I129 HydrophobicContact CE2-CG2 3.38Å; F94-I129 HydrophobicContact CG-CB 4.41Å; F94-I129 HydrophobicContact CG-CD1 4.3Å; F94-I129 HydrophobicContact CZ-CB 4.19Å; F94-I129 HydrophobicContact CZ-CD1 4.2Å; F94-I129 HydrophobicContact CZ-CG2 3.66Å; L117-I129 HydrophobicContact CD1-CD1 4.04Å; L121-I129 HydrophobicContact CD1-CD1 4.29Å; Q125-I129 WeakPolarHBondContact O-CG1 3.37Å; G126-I129 PolarHBondContact O-N 3.35Å; G126-I129 VanDerWaalsContact O-N 3.12Å; I129-Y133 HydrophobicContact CB-CD2 4.45Å; I129-Y133 HydrophobicContact CG2-CD2 4.33Å; I129-Y133 HydrophobicContact CG2-CG 4.39Å; I129-Y133 WeakPolarHBondContact O-CB 3.36Å; I129-Y133 PolarHBondContact O-N 3.48Å; I129-M290 HydrophobicContact CD1-SD 3.58Å; I129-M290 VanDerWaalsContact CD1-SD 3.58Å; I129-P297 HydrophobicContact CD1-CG 4.14Å; I129-P297 HydrophobicContact CG1-CG 3.62Å |
| 130 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -33.5 | -96.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | T95 F134 | T95-G130 VanDerWaalsContact O-CA 3.23Å; T95-G130 WeakPolarHBondContact O-CA 3.38Å; G130-F134 WeakPolarHBondContact O-CB 3.3Å; G130-F134 WeakPolarHBondContact O-CD2 3.19Å; G130-F134 PolarHBondContact O-N 3.46Å |
| 131 | I | 98.5 | Very high | 98.7 | Very high | 16 Ų | 16 | 15.9 Ų | 15.9 | 8% | 0.082 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 177.2 | -61.5 | -51.1 | 0 | 0 | 0 | 112.5 | S71 D72 Y133 T135 L271 F272 | S71-I131 WeakPolarHBondContact OG-CG1 3.43Å; D72-I131 VanDerWaalsContact CG-N 3.33Å; D72-I131 WeakPolarHBondContact OD1-CG1 3.33Å; D72-I131 PolarHBondContact OD1-N 3.28Å; D72-I131 WeakPolarHBondContact OD2-CB 3.46Å; D72-I131 PolarHBondContact OD2-N 2.86Å; I131-Y133 PolarHBondContact O-N 2.74Å; I131-T135 WeakPolarHBondContact O-CB 3.13Å; I131-T135 PolarHBondContact O-N 2.86Å; I131-T135 PolarHBondContact O-OG1 2.98Å; I131-L271 HydrophobicContact CD1-CD2 3.76Å; I131-F272 HydrophobicContact CD1-CE1 4.42Å; I131-F272 HydrophobicContact CD1-CE2 4.1Å; I131-F272 HydrophobicContact CD1-CZ 3.62Å |
| 132 | P | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.6 | -53.3 | -171.1 | -29.1 | 37.8 | 0 | 0 | 0 | 114.8 | D72 A128 A136 V161 K324 | D72-P132 WeakPolarHBondContact OD2-CD 3.38Å; A128-P132 WeakPolarHBondContact O-CB 3.42Å; A128-P132 WeakPolarHBondContact O-CG 3.48Å; P132-A136 WeakPolarHBondContact O-CB 3.27Å; P132-A136 PolarHBondContact O-N 3.33Å; P132-A136 VanDerWaalsContact O-N 3.08Å; P132-V161 HydrophobicContact CB-CG2 4.47Å; P132-K324 HydrophobicContact CG-CD 4Å |
| 133 | Y | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.02 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -78.7 | -37.1 | -174.2 | -77.3 | -97.2 | 0 | 0 | 0 | 112.4 | A128 I129 I131 T135 A136 C137 A164 Q167 I168 L286 L295 P297 | A128-Y133 WeakPolarHBondContact O-CD2 3.31Å; I129-Y133 HydrophobicContact CB-CD2 4.45Å; I129-Y133 HydrophobicContact CG2-CD2 4.33Å; I129-Y133 HydrophobicContact CG2-CG 4.39Å; I129-Y133 WeakPolarHBondContact O-CB 3.36Å; I129-Y133 PolarHBondContact O-N 3.48Å; I131-Y133 PolarHBondContact O-N 2.74Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 2.98Å; Y133-A136 PolarHBondContact O-N 3.47Å; Y133-C137 WeakPolarHBondContact O-CB 3.31Å; Y133-C137 PolarHBondContact O-N 3.18Å; Y133-A164 HydrophobicContact CD1-CB 3.61Å; Y133-A164 HydrophobicContact CD2-CB 3.78Å; Y133-A164 HydrophobicContact CE1-CB 3.7Å; Y133-A164 HydrophobicContact CE2-CB 3.92Å; Y133-A164 HydrophobicContact CG-CB 3.67Å; Y133-Q167 PolarHBondContact OH-OE1 2.92Å; Y133-I168 HydrophobicContact CD1-CD1 4.38Å; Y133-L286 HydrophobicContact CD1-CD2 4.14Å; Y133-L286 HydrophobicContact CG-CD2 4.43Å; Y133-L295 HydrophobicContact CD1-CD1 3.67Å; Y133-L295 HydrophobicContact CD1-CD2 3.99Å; Y133-L295 HydrophobicContact CD1-CG 3.64Å; Y133-L295 HydrophobicContact CE1-CD1 4Å; Y133-L295 HydrophobicContact CE1-CD2 3.59Å; Y133-L295 HydrophobicContact CE1-CG 3.4Å; Y133-L295 HydrophobicContact CE2-CD2 4.16Å; Y133-L295 HydrophobicContact CG-CD1 4.26Å; Y133-L295 HydrophobicContact CG-CD2 4.45Å; Y133-L295 HydrophobicContact CG-CG 4.45Å; Y133-P297 HydrophobicContact CE2-CB 4.13Å; Y133-P297 HydrophobicContact CE2-CG 4.07Å; Y133-P297 VanDerWaalsContact OH-CA 3.32Å; Y133-P297 WeakPolarHBondContact OH-CA 3.34Å |
| 134 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 175.2 | -78.7 | -103.8 | 0 | 0 | 0 | 111.5 | F94 Y115 G130 C137 R138 L271 F279 Y282 A283 L286 | F94-F134 HydrophobicContact CE2-CE2 4.17Å; Y115-F134 HydrophobicContact CD1-CZ 4.3Å; Y115-F134 HydrophobicContact CD2-CE2 4.37Å; Y115-F134 HydrophobicContact CD2-CZ 4.16Å; Y115-F134 HydrophobicContact CE1-CE1 4.26Å; Y115-F134 AromaticContact CE1-CZ 3.78Å; Y115-F134 HydrophobicContact CE1-CZ 3.78Å; Y115-F134 HydrophobicContact CE2-CE1 4.4Å; Y115-F134 AromaticContact CE2-CE2 3.99Å; Y115-F134 HydrophobicContact CE2-CE2 3.99Å; Y115-F134 AromaticContact CE2-CZ 3.62Å; Y115-F134 HydrophobicContact CE2-CZ 3.62Å; Y115-F134 HydrophobicContact CG-CZ 4.47Å; Y115-F134 AromaticContact CZ-CE1 3.84Å; Y115-F134 AromaticContact CZ-CZ 3.4Å; G130-F134 WeakPolarHBondContact O-CB 3.3Å; G130-F134 WeakPolarHBondContact O-CD2 3.19Å; G130-F134 PolarHBondContact O-N 3.46Å; F134-C137 PolarHBondContact O-N 3.17Å; F134-R138 PolarHBondContact O-N 2.77Å; F134-L271 HydrophobicContact CB-CD1 3.69Å; F134-L271 HydrophobicContact CB-CD2 3.65Å; F134-L271 HydrophobicContact CB-CG 4.34Å; F134-F279 AromaticContact CD1-CD1 3.66Å; F134-F279 HydrophobicContact CD1-CD1 3.66Å; F134-F279 AromaticContact CD1-CE1 3.86Å; F134-F279 HydrophobicContact CD1-CE1 3.86Å; F134-F279 AromaticContact CE1-CD1 3.8Å; F134-F279 HydrophobicContact CE1-CD1 3.8Å; F134-F279 HydrophobicContact CE1-CE1 4.36Å; F134-Y282 HydrophobicContact CD1-CD2 4.3Å; F134-A283 HydrophobicContact CE1-CB 4.02Å; F134-A283 HydrophobicContact CZ-CB 3.9Å; F134-L286 HydrophobicContact CD1-CD1 4.35Å; F134-L286 HydrophobicContact CD2-CD1 3.41Å; F134-L286 VanDerWaalsContact CD2-CD1 3.41Å; F134-L286 HydrophobicContact CE1-CD1 4.37Å; F134-L286 HydrophobicContact CE2-CD1 3.46Å; F134-L286 VanDerWaalsContact CE2-CD1 3.46Å; F134-L286 HydrophobicContact CG-CD1 3.9Å; F134-L286 HydrophobicContact CZ-CD1 3.96Å |
| 135 | T | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 20 Ų | 20 | 8% | 0.08 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.2 | -45.8 | 175.2 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | I131 Y133 R138 A139 V161 V246 | I131-T135 WeakPolarHBondContact O-CB 3.13Å; I131-T135 PolarHBondContact O-N 2.86Å; I131-T135 PolarHBondContact O-OG1 2.98Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 2.98Å; T135-R138 PolarHBondContact O-N 3.42Å; T135-A139 VanDerWaalsContact O-CB 3.32Å; T135-A139 WeakPolarHBondContact O-CB 3.22Å; T135-A139 PolarHBondContact O-N 2.77Å; T135-V161 HydrophobicContact CG2-CG1 4.13Å; T135-V246 HydrophobicContact CG2-CG1 3.69Å |
| 136 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P132 Y133 A139 L140 V161 A164 A165 I168 | P132-A136 WeakPolarHBondContact O-CB 3.27Å; P132-A136 PolarHBondContact O-N 3.33Å; P132-A136 VanDerWaalsContact O-N 3.08Å; Y133-A136 PolarHBondContact O-N 3.47Å; A136-A139 PolarHBondContact O-N 2.88Å; A136-L140 WeakPolarHBondContact O-CB 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.33Å; A136-L140 PolarHBondContact O-N 2.98Å; A136-V161 HydrophobicContact CB-CG1 4.22Å; A136-A164 HydrophobicContact CB-CB 3.88Å; A136-A165 HydrophobicContact CB-CB 4.06Å; A136-I168 HydrophobicContact CB-CD1 3.63Å |
| 137 | C | 98.4 | Very high | 98.6 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 172 | -90 | 0 | 0 | 0 | 0 | 111.6 | Y133 F134 A139 L140 I141 I168 Y282 L286 | Y133-C137 WeakPolarHBondContact O-CB 3.31Å; Y133-C137 PolarHBondContact O-N 3.18Å; F134-C137 PolarHBondContact O-N 3.17Å; C137-A139 PolarHBondContact O-N 2.86Å; C137-L140 PolarHBondContact O-N 3.45Å; C137-I141 HydrophobicContact CB-CD1 4.17Å; C137-I141 VanDerWaalsContact O-CB 3.23Å; C137-I141 WeakPolarHBondContact O-CB 3.46Å; C137-I141 WeakPolarHBondContact O-CG1 3.46Å; C137-I141 PolarHBondContact O-N 3.11Å; C137-I168 HydrophobicContact CB-CD1 4.43Å; C137-Y282 HydrophobicContact CB-CD1 4.26Å; C137-Y282 HydrophobicContact CB-CG 4.29Å; C137-L286 WeakPolarHBondContact SG-CD2 3.2Å |
| 138 | R | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -60.8 | -45.7 | 177.9 | -173.4 | 177.4 | -178 | 71.2 | 5.1 | 111.5 | F134 T135 L140 H142 S143 V269 T270 S274 E278 Y282 | F134-R138 PolarHBondContact O-N 2.77Å; T135-R138 PolarHBondContact O-N 3.42Å; R138-L140 PolarHBondContact O-N 2.94Å; R138-H142 HydrophobicContact CG-CB 4.13Å; R138-H142 PolarHBondContact NH2-NE2 2.84Å; R138-H142 WeakPolarHBondContact O-CA 3.4Å; R138-H142 WeakPolarHBondContact O-CB 3.34Å; R138-H142 PolarHBondContact O-N 3.05Å; R138-S143 PolarHBondContact O-N 2.9Å; R138-V269 HydrophobicContact CB-CG2 4.31Å; R138-V269 HydrophobicContact CG-CG2 3.67Å; R138-T270 PolarHBondContact NE-O 3.39Å; R138-S274 WeakPolarHBondContact CD-OG 3.45Å; R138-S274 PolarHBondContact NH1-OG 3.22Å; R138-E278 IonicContact CZ-OE2 2.81Å; R138-E278 IonicContact NH1-OE1 2.76Å; R138-E278 IonicContact NH1-OE2 3.27Å; R138-E278 PolarHBondContact NH1-OE2 2.86Å; R138-E278 IonicContact NH2-OE2 2.82Å; R138-Y282 HydrophobicContact CB-CE2 3.97Å; R138-Y282 HydrophobicContact CG-CE2 4.28Å; R138-Y282 PolarHBondContact NH1-OH 3.16Å |
| 139 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -60.9 | -45.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | T135 A136 C137 S143 A144 I222 I244 V246 V269 | T135-A139 VanDerWaalsContact O-CB 3.32Å; T135-A139 WeakPolarHBondContact O-CB 3.22Å; T135-A139 PolarHBondContact O-N 2.77Å; A136-A139 PolarHBondContact O-N 2.88Å; C137-A139 PolarHBondContact O-N 2.86Å; A139-S143 WeakPolarHBondContact O-CB 3.21Å; A139-A144 VanDerWaalsContact O-CB 3.3Å; A139-A144 WeakPolarHBondContact O-CB 3.46Å; A139-A144 PolarHBondContact O-N 3.18Å; A139-I222 HydrophobicContact CB-CD1 4.22Å; A139-I244 HydrophobicContact CB-CG2 4.01Å; A139-V246 HydrophobicContact CB-CG2 4.05Å; A139-V269 HydrophobicContact CB-CG1 4.26Å |
| 140 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -78.8 | -50.3 | -178.5 | -70.8 | 164.1 | 0 | 0 | 0 | 112.5 | A136 C137 R138 R145 V146 V152 A165 I168 A169 I222 | A136-L140 WeakPolarHBondContact O-CB 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.33Å; A136-L140 PolarHBondContact O-N 2.98Å; C137-L140 PolarHBondContact O-N 3.45Å; R138-L140 PolarHBondContact O-N 2.94Å; L140-R145 PolarHBondContact O-N 3.35Å; L140-V146 HydrophobicContact CB-CG1 4.28Å; L140-V146 HydrophobicContact CB-CG2 4.21Å; L140-V146 HydrophobicContact CD2-CG1 3.86Å; L140-V146 WeakPolarHBondContact O-CG1 3.09Å; L140-V146 WeakPolarHBondContact O-CG2 3.45Å; L140-V146 PolarHBondContact O-N 2.88Å; L140-V146 VanDerWaalsContact O-N 3.09Å; L140-V152 HydrophobicContact CD2-CG2 4.3Å; L140-A165 HydrophobicContact CD1-CB 4.28Å; L140-I168 HydrophobicContact CD1-CB 3.8Å; L140-I168 HydrophobicContact CD1-CG2 3.61Å; L140-A169 HydrophobicContact CD1-CB 4.44Å; L140-I222 HydrophobicContact CD2-CD1 3.85Å; L140-I222 HydrophobicContact CD2-CG1 3.97Å; L140-I222 HydrophobicContact CG-CD1 4.27Å |
| 141 | I | 97.7 | Very high | 98.5 | Very high | 38 Ų | 38 | 34.9 Ų | 34.9 | 20% | 0.195 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -84.1 | -46.5 | -168.6 | -56.1 | 167.5 | 0 | 0 | 0 | 111.1 | C137 R145 Y172 | C137-I141 HydrophobicContact CB-CD1 4.17Å; C137-I141 VanDerWaalsContact O-CB 3.23Å; C137-I141 WeakPolarHBondContact O-CB 3.46Å; C137-I141 WeakPolarHBondContact O-CG1 3.46Å; C137-I141 PolarHBondContact O-N 3.11Å; I141-R145 WeakPolarHBondContact O-CA 3.29Å; I141-Y172 HydrophobicContact CD1-CE2 4.34Å; I141-Y172 VanDerWaalsContact CD1-OH 3.27Å; I141-Y172 WeakPolarHBondContact CD1-OH 3.43Å; I141-Y172 HydrophobicContact CG1-CE1 4.4Å |
| 142 | H | 97.9 | Very high | 98.5 | Very high | 70 Ų | 70 | 34.1 Ų | 34.1 | 32% | 0.324 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -86.9 | -53.4 | -176.2 | 173.3 | 100.2 | 0 | 0 | 0 | 111.8 | R138 R145 E278 Y282 | R138-H142 HydrophobicContact CG-CB 4.13Å; R138-H142 PolarHBondContact NH2-NE2 2.84Å; R138-H142 WeakPolarHBondContact O-CA 3.4Å; R138-H142 WeakPolarHBondContact O-CB 3.34Å; R138-H142 PolarHBondContact O-N 3.05Å; H142-R145 VanDerWaalsContact O-CG 3.3Å; H142-R145 WeakPolarHBondContact O-CG 3.48Å; H142-E278 IonicContact CE1-OE1 3.59Å; H142-E278 PolarHBondContact CE1-OE1 2.86Å; H142-E278 IonicContact ND1-OE1 2.73Å; H142-E278 PolarHBondContact ND1-OE1 3.47Å; H142-Y282 WeakPolarHBondContact CB-OH 3.36Å |
| 143 | S | 98.4 | Very high | 98.5 | Very high | 17 Ų | 17 | 34 Ų | 34 | 12% | 0.119 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -78.3 | -50.6 | -173.1 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | R138 A139 V269 | R138-S143 PolarHBondContact O-N 2.9Å; A139-S143 WeakPolarHBondContact O-CB 3.21Å; S143-V269 WeakPolarHBondContact OG-CG2 3.47Å |
| 144 | A | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -82.9 | -20.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A139 V146 V220 R242 I244 | A139-A144 VanDerWaalsContact O-CB 3.3Å; A139-A144 WeakPolarHBondContact O-CB 3.46Å; A139-A144 PolarHBondContact O-N 3.18Å; A144-V146 VanDerWaalsContact C-N 3.29Å; A144-V146 HydrophobicContact CB-CG1 3.98Å; A144-V146 PolarHBondContact O-N 2.87Å; A144-V220 HydrophobicContact CB-CG1 3.71Å; A144-V220 HydrophobicContact CB-CG2 4.11Å; A144-R242 HydrophobicContact CB-CG 4.44Å; A144-R242 PolarHBondContact O-NE 3.05Å; A144-R242 PolarHBondContact O-NH2 3.34Å; A144-I244 HydrophobicContact CB-CD1 3.95Å; A144-I244 HydrophobicContact CB-CG1 3.83Å |
| 145 | R | 98.4 | Very high | 98.5 | Very high | 190 Ų | 190 | 34 Ų | 34 | 72% | 0.717 | 18% | 0.184 | S | C | * | . | trans | 49.9 | 50.4 | -176.6 | -57 | -178.8 | -178.3 | -179.4 | -0.6 | 111.9 | L140 I141 H142 | L140-R145 PolarHBondContact O-N 3.35Å; I141-R145 WeakPolarHBondContact O-CA 3.29Å; H142-R145 VanDerWaalsContact O-CG 3.3Å; H142-R145 WeakPolarHBondContact O-CG 3.48Å | ||
| 146 | V | 98.3 | Very high | 98.5 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | trans | -56.8 | 143.5 | -174.5 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | L140 A144 E150 Y172 L174 V220 | L140-V146 HydrophobicContact CB-CG1 4.28Å; L140-V146 HydrophobicContact CB-CG2 4.21Å; L140-V146 HydrophobicContact CD2-CG1 3.86Å; L140-V146 WeakPolarHBondContact O-CG1 3.09Å; L140-V146 WeakPolarHBondContact O-CG2 3.45Å; L140-V146 PolarHBondContact O-N 2.88Å; L140-V146 VanDerWaalsContact O-N 3.09Å; A144-V146 VanDerWaalsContact C-N 3.29Å; A144-V146 HydrophobicContact CB-CG1 3.98Å; A144-V146 PolarHBondContact O-N 2.87Å; V146-E150 WeakPolarHBondContact CA-OE2 3.43Å; V146-Y172 HydrophobicContact CG2-CD1 4.13Å; V146-L174 HydrophobicContact CB-CD1 4.01Å; V146-L174 HydrophobicContact CB-CD2 4.44Å; V146-L174 HydrophobicContact CG1-CD1 3.86Å; V146-L174 HydrophobicContact CG2-CD1 4.44Å; V146-V220 HydrophobicContact CG1-CG2 4.12Å | ||
| 147 | K | 98.3 | Very high | 98.5 | Very high | 150 Ų | 150 | 34.4 Ų | 34.4 | 65% | 0.652 | 19% | 0.191 | S | C | * | . | trans | -118 | 144.4 | 171.1 | -61.7 | 178.6 | -176 | 174.7 | 0 | 109.1 | G149 E150 L174 | K147-G149 PolarHBondContact O-N 3.22Å; K147-E150 HydrophobicContact CB-CG 4.26Å; K147-E150 PolarHBondContact N-OE2 3.5Å; K147-E150 WeakPolarHBondContact O-CB 3.34Å; K147-E150 WeakPolarHBondContact O-CG 3.17Å; K147-E150 PolarHBondContact O-N 2.91Å; K147-E150 VanDerWaalsContact O-N 3.16Å; K147-L174 WeakPolarHBondContact O-CD2 3.22Å | ||
| 148 | A | 98.3 | Very high | 98.5 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 67% | 0.669 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 140 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E150 Y172 | A148-E150 VanDerWaalsContact C-N 3.34Å; A148-Y172 VanDerWaalsContact CA-O 3.32Å; A148-Y172 WeakPolarHBondContact CA-O 3.49Å; A148-Y172 WeakPolarHBondContact CB-O 3.37Å |
| 149 | G | 97.4 | Very high | 98.5 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 62% | 0.619 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -11.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K147 G173 | K147-G149 PolarHBondContact O-N 3.22Å; G149-G173 PolarHBondContact N-O 2.96Å |
| 150 | E | 98.7 | Very high | 98.4 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 16% | 0.159 | 21% | 0.207 | C | C | . | . | trans | -68.2 | 156.5 | 171.5 | -69.4 | -171.5 | 115.2 | 0 | 0 | 112.1 | V146 K147 A148 L174 K175 D219 R242 | V146-E150 WeakPolarHBondContact CA-OE2 3.43Å; K147-E150 HydrophobicContact CB-CG 4.26Å; K147-E150 PolarHBondContact N-OE2 3.5Å; K147-E150 WeakPolarHBondContact O-CB 3.34Å; K147-E150 WeakPolarHBondContact O-CG 3.17Å; K147-E150 PolarHBondContact O-N 2.91Å; K147-E150 VanDerWaalsContact O-N 3.16Å; A148-E150 VanDerWaalsContact C-N 3.34Å; E150-L174 HydrophobicContact CB-CD2 4.15Å; E150-L174 CarbonylContact O-C 3.51Å; E150-L174 VanDerWaalsContact O-CA 3.26Å; E150-L174 WeakPolarHBondContact O-CA 3.4Å; E150-L174 WeakPolarHBondContact O-CB 3.36Å; E150-K175 PolarHBondContact O-N 3.32Å; E150-D219 HydrophobicContact CB-CB 4.1Å; E150-D219 HydrophobicContact CG-CB 4.35Å; E150-R242 IonicContact OE1-CZ 3.99Å; E150-R242 VanDerWaalsContact OE1-CZ 3.24Å; E150-R242 IonicContact OE1-NH1 3.12Å; E150-R242 PolarHBondContact OE1-NH1 3.33Å; E150-R242 IonicContact OE1-NH2 2.99Å; E150-R242 PolarHBondContact OE1-NH2 2.79Å; E150-R242 IonicContact OE2-CZ 2.94Å; E150-R242 IonicContact OE2-NH1 3.93Å; E150-R242 IonicContact OE2-NH2 2.71Å; E150-R242 PolarHBondContact OE2-NH2 2.88Å | ||
| 151 | S | 98.9 | Very high | 98.4 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.4 | 173.4 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | K175 I218 D219 V220 | S151-K175 WeakPolarHBondContact CA-O 3.17Å; S151-I218 WeakPolarHBondContact OG-CA 3.34Å; S151-D219 PolarHBondContact N-OD2 3.26Å; S151-D219 WeakPolarHBondContact O-CB 3.49Å; S151-D219 PolarHBondContact O-N 3.3Å; S151-D219 PolarHBondContact OG-N 3.23Å; S151-D219 PolarHBondContact OG-OD2 2.89Å; S151-V220 PolarHBondContact O-N 3.11Å |
| 152 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.8 | 176.7 | 62 | 0 | 0 | 0 | 0 | 111.6 | L140 V154 A169 L174 K175 V176 L177 V220 I222 | L140-V152 HydrophobicContact CD2-CG2 4.3Å; V152-V154 HydrophobicContact CG2-CG2 4.38Å; V152-A169 HydrophobicContact CG1-CB 3.74Å; V152-L174 HydrophobicContact CB-CD1 4.22Å; V152-L174 HydrophobicContact CG1-CB 4.04Å; V152-L174 HydrophobicContact CG1-CD1 3.88Å; V152-K175 PolarHBondContact N-O 3.12Å; V152-V176 HydrophobicContact CG1-CB 4.3Å; V152-V176 HydrophobicContact CG1-CG1 4.35Å; V152-V176 HydrophobicContact CG1-CG2 4.04Å; V152-V176 CarbonylContact O-C 3.06Å; V152-L177 PolarHBondContact O-N 3.47Å; V152-V220 CarbonylContact C-O 3.45Å; V152-V220 WeakPolarHBondContact CA-O 3.45Å; V152-V220 HydrophobicContact CB-CB 4.17Å; V152-V220 HydrophobicContact CG2-CB 3.97Å; V152-V220 HydrophobicContact CG2-CG1 3.95Å; V152-I222 HydrophobicContact CG2-CG1 3.97Å |
| 153 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.5 | 164.5 | 176.6 | 62.8 | 0 | 0 | 0 | 109.3 | H155 L177 T179 I209 I218 V220 I221 I222 L236 | L153-H155 HydrophobicContact CG-CB 4.48Å; L153-L177 WeakPolarHBondContact CA-O 3.38Å; L153-L177 HydrophobicContact CD1-CB 3.92Å; L153-T179 HydrophobicContact CD1-CG2 4Å; L153-I209 HydrophobicContact CD1-CD1 4.49Å; L153-I209 HydrophobicContact CD2-CD1 4.33Å; L153-I218 HydrophobicContact CB-CD1 3.8Å; L153-I218 HydrophobicContact CB-CG2 4.13Å; L153-I218 HydrophobicContact CD2-CD1 4.12Å; L153-I218 HydrophobicContact CG-CD1 4.49Å; L153-V220 PolarHBondContact N-O 3.48Å; L153-I221 HydrophobicContact CB-CG1 4.18Å; L153-I221 HydrophobicContact CD2-CG2 4.44Å; L153-I221 CarbonylContact O-C 3.52Å; L153-I221 WeakPolarHBondContact O-CA 3.34Å; L153-I222 PolarHBondContact O-N 2.95Å; L153-L236 HydrophobicContact CD2-CD1 3.89Å |
| 154 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 100.4 | 168.3 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | V152 G156 A157 A165 L177 G178 T179 M224 | V152-V154 HydrophobicContact CG2-CG2 4.38Å; V154-G156 PolarHBondContact O-N 3.13Å; V154-A157 HydrophobicContact CB-CB 3.95Å; V154-A157 HydrophobicContact CG1-CB 3.83Å; V154-A157 WeakPolarHBondContact O-CB 3.47Å; V154-A165 HydrophobicContact CG1-CB 4.04Å; V154-A165 HydrophobicContact CG2-CB 4Å; V154-L177 PolarHBondContact N-O 3.43Å; V154-G178 WeakPolarHBondContact O-CA 3.36Å; V154-T179 PolarHBondContact O-N 3.45Å; V154-T179 VanDerWaalsContact O-N 3.11Å; V154-M224 HydrophobicContact CG1-CE 4.48Å |
| 155 | H | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 99.9 | -174 | -152.4 | 155.3 | 0 | 0 | 0 | 110 | L153 T179 Y205 I221 I222 E223 M224 N229 D233 | L153-H155 HydrophobicContact CG-CB 4.48Å; H155-T179 PolarHBondContact CD2-OG1 2.92Å; H155-T179 VanDerWaalsContact CD2-OG1 3.24Å; H155-Y205 PolarHBondContact CE1-OH 3.24Å; H155-Y205 AromaticContact NE2-CE2 3.86Å; H155-Y205 AromaticContact NE2-CZ 3.74Å; H155-Y205 PolarHBondContact NE2-OH 2.88Å; H155-I221 HydrophobicContact CB-CG2 4.34Å; H155-I222 PolarHBondContact N-O 3.2Å; H155-E223 WeakPolarHBondContact CB-OE2 3.3Å; H155-E223 IonicContact CE1-OE2 3.95Å; H155-E223 IonicContact CG-OE2 3.9Å; H155-E223 IonicContact ND1-OE2 2.8Å; H155-E223 PolarHBondContact ND1-OE2 3.31Å; H155-M224 VanDerWaalsContact O-CB 3.3Å; H155-M224 WeakPolarHBondContact O-CB 3.45Å; H155-M224 VanDerWaalsContact O-CG 3.22Å; H155-M224 WeakPolarHBondContact O-CG 3.19Å; H155-M224 PolarHBondContact O-N 2.86Å; H155-N229 PolarHBondContact CD2-ND2 2.76Å; H155-N229 PolarHBondContact CE1-ND2 3.24Å; H155-N229 PolarHBondContact CE1-OD1 3.31Å; H155-N229 PolarHBondContact NE2-ND2 3.39Å; H155-D233 IonicContact CE1-OD1 2.76Å; H155-D233 IonicContact ND1-OD1 3.85Å; H155-D233 PolarHBondContact ND1-OD1 3.02Å |
| 156 | G | 98.1 | Very high | 98.6 | Very high | 22 Ų | 22 | 21.8 Ų | 21.8 | 23% | 0.227 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 51.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V154 T179 | V154-G156 PolarHBondContact O-N 3.13Å; G156-T179 PolarHBondContact N-OG1 3.48Å |
| 157 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -22.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | V154 G159 G162 L163 T179 V189 | V154-A157 HydrophobicContact CB-CB 3.95Å; V154-A157 HydrophobicContact CG1-CB 3.83Å; V154-A157 WeakPolarHBondContact O-CB 3.47Å; A157-G159 VanDerWaalsContact C-N 3.31Å; A157-G159 PolarHBondContact O-N 3.11Å; A157-G162 CarbonylContact O-C 3.59Å; A157-G162 VanDerWaalsContact O-CA 3.31Å; A157-G162 WeakPolarHBondContact O-CA 3.38Å; A157-L163 WeakPolarHBondContact O-CD2 3.19Å; A157-L163 WeakPolarHBondContact O-CG 3.48Å; A157-L163 PolarHBondContact O-N 3.45Å; A157-T179 PolarHBondContact N-O 3.5Å; A157-V189 HydrophobicContact CB-CB 4.29Å; A157-V189 HydrophobicContact CB-CG1 3.7Å; A157-V189 HydrophobicContact CB-CG2 3.5Å; A157-V189 VanDerWaalsContact CB-CG2 3.5Å |
| 158 | S | 98.7 | Very high | 98.7 | Very high | 7 Ų | 7 | 14.3 Ų | 14.3 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.5 | -171.2 | 70.6 | 0 | 0 | 0 | 0 | 115.5 | A321 T322 G323 | S158-A321 WeakPolarHBondContact CB-O 3.23Å; S158-A321 CarbonylContact O-C 3.56Å; S158-A321 WeakPolarHBondContact O-CB 3.11Å; S158-A321 PolarHBondContact OG-O 3.4Å; S158-T322 CarbonylContact O-C 3.57Å; S158-G323 PolarHBondContact O-N 3.49Å |
| 159 | G | 98.2 | Very high | 98.7 | Very high | 18 Ų | 18 | 10.5 Ų | 10.5 | 19% | 0.186 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -92 | -178 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A157 V161 G162 L163 | A157-G159 VanDerWaalsContact C-N 3.31Å; A157-G159 PolarHBondContact O-N 3.11Å; G159-V161 PolarHBondContact O-N 2.94Å; G159-G162 PolarHBondContact O-N 3.46Å; G159-L163 PolarHBondContact O-N 3.29Å |
| 160 | G | 98.3 | Very high | 98.7 | Very high | 18 Ų | 18 | 13.7 Ų | 13.7 | 19% | 0.186 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55.7 | -55.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G162 A164 | G160-G162 VanDerWaalsContact C-N 3.3Å; G160-G162 PolarHBondContact O-N 2.9Å; G160-A164 WeakPolarHBondContact O-CB 3.44Å; G160-A164 PolarHBondContact O-N 2.68Å |
| 161 | V | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 14.4 Ų | 14.4 | 16% | 0.164 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | 178.4 | -171 | 0 | 0 | 0 | 0 | 110.8 | P132 T135 A136 G159 A164 A165 M224 V246 | P132-V161 HydrophobicContact CB-CG2 4.47Å; T135-V161 HydrophobicContact CG2-CG1 4.13Å; A136-V161 HydrophobicContact CB-CG1 4.22Å; G159-V161 PolarHBondContact O-N 2.94Å; V161-A164 PolarHBondContact O-N 2.79Å; V161-A165 WeakPolarHBondContact O-CB 3.11Å; V161-A165 PolarHBondContact O-N 3.45Å; V161-M224 HydrophobicContact CB-CE 3.81Å; V161-M224 HydrophobicContact CB-SD 4.1Å; V161-M224 HydrophobicContact CG1-CE 3.48Å; V161-M224 VanDerWaalsContact CG1-CE 3.48Å; V161-M224 HydrophobicContact CG1-SD 4.1Å; V161-V246 HydrophobicContact CG1-CG1 4.28Å |
| 162 | G | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -52.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A157 G159 G160 A164 A165 C166 | A157-G162 CarbonylContact O-C 3.59Å; A157-G162 VanDerWaalsContact O-CA 3.31Å; A157-G162 WeakPolarHBondContact O-CA 3.38Å; G159-G162 PolarHBondContact O-N 3.46Å; G160-G162 VanDerWaalsContact C-N 3.3Å; G160-G162 PolarHBondContact O-N 2.9Å; G162-A164 VanDerWaalsContact C-N 3.32Å; G162-A164 PolarHBondContact O-N 3.49Å; G162-A165 WeakPolarHBondContact O-CB 3.32Å; G162-A165 PolarHBondContact O-N 2.75Å; G162-C166 PolarHBondContact O-N 2.94Å; G162-C166 PolarHBondContact O-SG 3.09Å; G162-C166 VanDerWaalsContact O-SG 3.39Å |
| 163 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67 | -35.8 | 178.6 | -65.9 | -178.4 | 0 | 0 | 0 | 111.7 | A157 G159 A165 C166 Q167 I188 V189 N192 V298 | A157-L163 WeakPolarHBondContact O-CD2 3.19Å; A157-L163 WeakPolarHBondContact O-CG 3.48Å; A157-L163 PolarHBondContact O-N 3.45Å; G159-L163 PolarHBondContact O-N 3.29Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-C166 PolarHBondContact O-N 2.71Å; L163-Q167 WeakPolarHBondContact O-CG 3.36Å; L163-Q167 PolarHBondContact O-N 2.84Å; L163-I188 HydrophobicContact CD1-CG1 4.09Å; L163-I188 HydrophobicContact CD2-CG2 4.32Å; L163-V189 HydrophobicContact CD2-CG2 4.04Å; L163-N192 HydrophobicContact CD2-CB 3.95Å; L163-V298 HydrophobicContact CD1-CB 3.67Å; L163-V298 HydrophobicContact CD1-CG1 3.9Å; L163-V298 HydrophobicContact CD1-CG2 4.08Å |
| 164 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y133 A136 G160 V161 G162 Q167 I168 | Y133-A164 HydrophobicContact CD1-CB 3.61Å; Y133-A164 HydrophobicContact CD2-CB 3.78Å; Y133-A164 HydrophobicContact CE1-CB 3.7Å; Y133-A164 HydrophobicContact CE2-CB 3.92Å; Y133-A164 HydrophobicContact CG-CB 3.67Å; A136-A164 HydrophobicContact CB-CB 3.88Å; G160-A164 WeakPolarHBondContact O-CB 3.44Å; G160-A164 PolarHBondContact O-N 2.68Å; V161-A164 PolarHBondContact O-N 2.79Å; G162-A164 VanDerWaalsContact C-N 3.32Å; G162-A164 PolarHBondContact O-N 3.49Å; A164-Q167 PolarHBondContact O-N 3.33Å; A164-I168 WeakPolarHBondContact O-CB 3.49Å; A164-I168 WeakPolarHBondContact O-CD1 3.41Å; A164-I168 VanDerWaalsContact O-CG1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.23Å; A164-I168 PolarHBondContact O-N 3.38Å |
| 165 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A136 L140 V154 V161 G162 L163 A169 | A136-A165 HydrophobicContact CB-CB 4.06Å; L140-A165 HydrophobicContact CD1-CB 4.28Å; V154-A165 HydrophobicContact CG1-CB 4.04Å; V154-A165 HydrophobicContact CG2-CB 4Å; V161-A165 WeakPolarHBondContact O-CB 3.11Å; V161-A165 PolarHBondContact O-N 3.45Å; G162-A165 WeakPolarHBondContact O-CB 3.32Å; G162-A165 PolarHBondContact O-N 2.75Å; L163-A165 VanDerWaalsContact C-N 3.34Å; A165-A169 WeakPolarHBondContact O-CB 3.14Å; A165-A169 PolarHBondContact O-N 3.39Å |
| 166 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.2 | -68.4 | 0 | 0 | 0 | 0 | 112 | G162 L163 A169 R170 V176 N192 | G162-C166 PolarHBondContact O-N 2.94Å; G162-C166 PolarHBondContact O-SG 3.09Å; G162-C166 VanDerWaalsContact O-SG 3.39Å; L163-C166 PolarHBondContact O-N 2.71Å; C166-A169 PolarHBondContact O-N 2.85Å; C166-R170 WeakPolarHBondContact O-CB 3.3Å; C166-R170 PolarHBondContact O-N 3.36Å; C166-V176 HydrophobicContact CB-CG1 4.39Å; C166-N192 CarbonylContact C-O 3.54Å; C166-N192 WeakPolarHBondContact CB-O 3.47Å |
| 167 | Q | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | -180 | -72.6 | -178.5 | 2.7 | 0 | 0 | 112.1 | Y133 L163 A164 R170 A171 N192 W294 K296 | Y133-Q167 PolarHBondContact OH-OE1 2.92Å; L163-Q167 WeakPolarHBondContact O-CG 3.36Å; L163-Q167 PolarHBondContact O-N 2.84Å; A164-Q167 PolarHBondContact O-N 3.33Å; Q167-R170 PolarHBondContact O-N 3.36Å; Q167-A171 PolarHBondContact O-N 3.24Å; Q167-N192 HydrophobicContact CG-CB 4.29Å; Q167-N192 PolarHBondContact N-O 3.12Å; Q167-N192 PolarHBondContact NE2-OD1 3.2Å; Q167-W294 HydrophobicContact CB-CE3 4.08Å; Q167-W294 HydrophobicContact CB-CZ3 4.27Å; Q167-W294 PolarHBondContact OE1-O 2.96Å; Q167-K296 PolarHBondContact NE2-O 2.87Å; Q167-K296 VanDerWaalsContact OE1-N 3.12Å |
| 168 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -49 | 177 | -66.2 | 161.7 | 0 | 0 | 0 | 109.8 | Y133 A136 C137 L140 A164 R170 A171 Y172 W294 | Y133-I168 HydrophobicContact CD1-CD1 4.38Å; A136-I168 HydrophobicContact CB-CD1 3.63Å; C137-I168 HydrophobicContact CB-CD1 4.43Å; L140-I168 HydrophobicContact CD1-CB 3.8Å; L140-I168 HydrophobicContact CD1-CG2 3.61Å; A164-I168 WeakPolarHBondContact O-CB 3.49Å; A164-I168 WeakPolarHBondContact O-CD1 3.41Å; A164-I168 VanDerWaalsContact O-CG1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.23Å; A164-I168 PolarHBondContact O-N 3.38Å; I168-R170 PolarHBondContact O-N 2.87Å; I168-A171 WeakPolarHBondContact O-CB 3.31Å; I168-A171 PolarHBondContact O-N 2.92Å; I168-A171 VanDerWaalsContact O-N 3.12Å; I168-Y172 HydrophobicContact CG2-CD2 3.92Å; I168-Y172 HydrophobicContact CG2-CE2 4Å; I168-Y172 VanDerWaalsContact O-CD2 3.28Å; I168-Y172 WeakPolarHBondContact O-CD2 3.5Å; I168-Y172 PolarHBondContact O-N 3.47Å; I168-W294 HydrophobicContact CB-CZ3 4.39Å; I168-W294 HydrophobicContact CG1-CH2 3.63Å; I168-W294 HydrophobicContact CG1-CZ3 3.6Å |
| 169 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.9 | -38 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L140 V152 A165 C166 Y172 G173 L174 V176 | L140-A169 HydrophobicContact CD1-CB 4.44Å; V152-A169 HydrophobicContact CG1-CB 3.74Å; A165-A169 WeakPolarHBondContact O-CB 3.14Å; A165-A169 PolarHBondContact O-N 3.39Å; C166-A169 PolarHBondContact O-N 2.85Å; A169-Y172 PolarHBondContact O-N 2.89Å; A169-G173 PolarHBondContact O-N 2.89Å; A169-L174 HydrophobicContact CB-CB 4.19Å; A169-L174 HydrophobicContact CB-CD1 3.88Å; A169-L174 HydrophobicContact CB-CG 4.27Å; A169-L174 WeakPolarHBondContact O-CB 3.32Å; A169-L174 WeakPolarHBondContact O-CG 3.44Å; A169-L174 PolarHBondContact O-N 3.45Å; A169-V176 HydrophobicContact CB-CG2 3.58Å |
| 170 | R | 98.5 | Very high | 98.7 | Very high | 128 Ų | 128 | 21.9 Ų | 21.9 | 48% | 0.483 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.7 | -170.5 | 58.2 | 179 | 162.3 | -8.9 | 112 | C166 Q167 I168 Y172 G173 H195 | C166-R170 WeakPolarHBondContact O-CB 3.3Å; C166-R170 PolarHBondContact O-N 3.36Å; Q167-R170 PolarHBondContact O-N 3.36Å; I168-R170 PolarHBondContact O-N 2.87Å; R170-Y172 PolarHBondContact O-N 2.9Å; R170-G173 PolarHBondContact O-N 3.03Å; R170-G173 VanDerWaalsContact O-N 3.08Å; R170-H195 PolarHBondContact NH1-CE1 2.92Å; R170-H195 PolarHBondContact NH1-NE2 3.4Å |
| 171 | A | 98.3 | Very high | 98.7 | Very high | 49 Ų | 49 | 21.3 Ų | 21.3 | 41% | 0.405 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -62.5 | -29.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q167 I168 G173 W294 | Q167-A171 PolarHBondContact O-N 3.24Å; I168-A171 WeakPolarHBondContact O-CB 3.31Å; I168-A171 PolarHBondContact O-N 2.92Å; I168-A171 VanDerWaalsContact O-N 3.12Å; A171-G173 VanDerWaalsContact C-N 3.3Å; A171-W294 HydrophobicContact CB-CB 4.42Å; A171-W294 HydrophobicContact CB-CD2 3.64Å; A171-W294 HydrophobicContact CB-CE3 4.12Å; A171-W294 HydrophobicContact CB-CG 3.76Å; A171-W294 HydrophobicContact CB-CZ2 4.46Å |
| 172 | Y | 97.5 | Very high | 98.6 | Very high | 88 Ų | 88 | 21.7 Ų | 21.7 | 35% | 0.345 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 4.3 | 175.9 | -84.3 | -107.4 | 0 | 0 | 0 | 113.9 | I141 V146 A148 I168 A169 R170 | I141-Y172 HydrophobicContact CD1-CE2 4.34Å; I141-Y172 VanDerWaalsContact CD1-OH 3.27Å; I141-Y172 WeakPolarHBondContact CD1-OH 3.43Å; I141-Y172 HydrophobicContact CG1-CE1 4.4Å; V146-Y172 HydrophobicContact CG2-CD1 4.13Å; A148-Y172 VanDerWaalsContact CA-O 3.32Å; A148-Y172 WeakPolarHBondContact CA-O 3.49Å; A148-Y172 WeakPolarHBondContact CB-O 3.37Å; I168-Y172 HydrophobicContact CG2-CD2 3.92Å; I168-Y172 HydrophobicContact CG2-CE2 4Å; I168-Y172 VanDerWaalsContact O-CD2 3.28Å; I168-Y172 WeakPolarHBondContact O-CD2 3.5Å; I168-Y172 PolarHBondContact O-N 3.47Å; A169-Y172 PolarHBondContact O-N 2.89Å; R170-Y172 PolarHBondContact O-N 2.9Å |
| 173 | G | 98.3 | Very high | 98.6 | Very high | 40 Ų | 40 | 27 Ų | 27 | 41% | 0.412 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 30.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G149 A169 R170 A171 | G149-G173 PolarHBondContact N-O 2.96Å; A169-G173 PolarHBondContact O-N 2.89Å; R170-G173 PolarHBondContact O-N 3.03Å; R170-G173 VanDerWaalsContact O-N 3.08Å; A171-G173 VanDerWaalsContact C-N 3.3Å |
| 174 | L | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | trans | -82.3 | 155.4 | 176.1 | -54 | -166.9 | 0 | 0 | 0 | 111.9 | V146 K147 E150 V152 A169 V176 H195 | V146-L174 HydrophobicContact CB-CD1 4.01Å; V146-L174 HydrophobicContact CB-CD2 4.44Å; V146-L174 HydrophobicContact CG1-CD1 3.86Å; V146-L174 HydrophobicContact CG2-CD1 4.44Å; K147-L174 WeakPolarHBondContact O-CD2 3.22Å; E150-L174 HydrophobicContact CB-CD2 4.15Å; E150-L174 CarbonylContact O-C 3.51Å; E150-L174 VanDerWaalsContact O-CA 3.26Å; E150-L174 WeakPolarHBondContact O-CA 3.4Å; E150-L174 WeakPolarHBondContact O-CB 3.36Å; V152-L174 HydrophobicContact CB-CD1 4.22Å; V152-L174 HydrophobicContact CG1-CB 4.04Å; V152-L174 HydrophobicContact CG1-CD1 3.88Å; A169-L174 HydrophobicContact CB-CB 4.19Å; A169-L174 HydrophobicContact CB-CD1 3.88Å; A169-L174 HydrophobicContact CB-CG 4.27Å; A169-L174 WeakPolarHBondContact O-CB 3.32Å; A169-L174 WeakPolarHBondContact O-CG 3.44Å; A169-L174 PolarHBondContact O-N 3.45Å; L174-V176 HydrophobicContact CB-CG2 4.34Å; L174-V176 PolarHBondContact O-N 3.46Å; L174-H195 PolarHBondContact O-CE1 2.92Å | ||
| 175 | K | 98.8 | Very high | 98.5 | Very high | 87 Ų | 87 | 31.9 Ų | 31.9 | 38% | 0.378 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 95.7 | 164.1 | -173.8 | -178.2 | 179.8 | -168.9 | 0 | 109 | E150 S151 V152 L177 | E150-K175 PolarHBondContact O-N 3.32Å; S151-K175 WeakPolarHBondContact CA-O 3.17Å; V152-K175 PolarHBondContact N-O 3.12Å; K175-L177 HydrophobicContact CG-CD1 4.41Å |
| 176 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.6 | -175.5 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | V152 C166 A169 L174 G193 A194 H195 | V152-V176 HydrophobicContact CG1-CB 4.3Å; V152-V176 HydrophobicContact CG1-CG1 4.35Å; V152-V176 HydrophobicContact CG1-CG2 4.04Å; V152-V176 CarbonylContact O-C 3.06Å; C166-V176 HydrophobicContact CB-CG1 4.39Å; A169-V176 HydrophobicContact CB-CG2 3.58Å; L174-V176 HydrophobicContact CB-CG2 4.34Å; L174-V176 PolarHBondContact O-N 3.46Å; V176-G193 WeakPolarHBondContact CB-O 3.2Å; V176-A194 HydrophobicContact CG1-CB 4.19Å; V176-H195 PolarHBondContact N-CE1 2.74Å; V176-H195 PolarHBondContact N-ND1 3.04Å; V176-H195 WeakPolarHBondContact O-CB 3.45Å; V176-H195 PolarHBondContact O-N 3.1Å; V176-H195 PolarHBondContact O-ND1 2.96Å |
| 177 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149.6 | 164.6 | -62.3 | 78.4 | 0 | 0 | 0 | 107.5 | V152 L153 V154 K175 E196 F198 I209 Y212 V213 I218 | V152-L177 PolarHBondContact O-N 3.47Å; L153-L177 WeakPolarHBondContact CA-O 3.38Å; L153-L177 HydrophobicContact CD1-CB 3.92Å; V154-L177 PolarHBondContact N-O 3.43Å; K175-L177 HydrophobicContact CG-CD1 4.41Å; L177-E196 WeakPolarHBondContact CA-O 3.33Å; L177-F198 HydrophobicContact CB-CE2 4.31Å; L177-F198 HydrophobicContact CD2-CE2 3.84Å; L177-F198 HydrophobicContact CD2-CZ 4.27Å; L177-F198 HydrophobicContact CG-CE2 4.41Å; L177-I209 HydrophobicContact CD2-CG2 4.48Å; L177-Y212 HydrophobicContact CD2-CD1 3.68Å; L177-Y212 HydrophobicContact CD2-CE1 3.91Å; L177-Y212 HydrophobicContact CG-CD1 4.48Å; L177-Y212 HydrophobicContact CG-CE1 4.22Å; L177-V213 HydrophobicContact CD2-CG1 3.63Å; L177-I218 HydrophobicContact CD2-CD1 4.48Å |
| 178 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 162.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V154 E196 V197 F198 | V154-G178 WeakPolarHBondContact O-CA 3.36Å; G178-E196 PolarHBondContact N-O 2.92Å; G178-V197 VanDerWaalsContact O-CA 3.31Å; G178-V197 WeakPolarHBondContact O-CA 3.45Å; G178-V197 WeakPolarHBondContact O-CG2 3.43Å; G178-F198 PolarHBondContact O-N 3.36Å |
| 179 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144.2 | 168.2 | 76.1 | 0 | 0 | 0 | 0 | 112.6 | L153 V154 H155 G156 A157 F198 H200 Y205 I209 | L153-T179 HydrophobicContact CD1-CG2 4Å; V154-T179 PolarHBondContact O-N 3.45Å; V154-T179 VanDerWaalsContact O-N 3.11Å; H155-T179 PolarHBondContact CD2-OG1 2.92Å; H155-T179 VanDerWaalsContact CD2-OG1 3.24Å; G156-T179 PolarHBondContact N-OG1 3.48Å; A157-T179 PolarHBondContact N-O 3.5Å; T179-F198 WeakPolarHBondContact CA-O 3.37Å; T179-F198 WeakPolarHBondContact CB-O 3.18Å; T179-F198 HydrophobicContact CG2-CB 4.35Å; T179-H200 PolarHBondContact OG1-ND1 3.49Å; T179-Y205 HydrophobicContact CG2-CE2 4.27Å; T179-I209 HydrophobicContact CG2-CD1 4.29Å |
| 180 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 163 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | G185 Q186 V189 F198 N199 H200 | A180-G185 WeakPolarHBondContact CB-O 3.22Å; A180-Q186 HydrophobicContact CB-CG 3.97Å; A180-V189 HydrophobicContact CB-CG2 4.39Å; A180-F198 PolarHBondContact N-O 3.24Å; A180-F198 VanDerWaalsContact N-O 3.08Å; A180-N199 CarbonylContact O-C 3.52Å; A180-N199 WeakPolarHBondContact O-CA 3.44Å; A180-N199 PolarHBondContact O-OD1 3.39Å; A180-H200 PolarHBondContact O-N 3.41Å |
| 181 | G | 97.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 42 Ų | 42 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -102.1 | -0.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H200 R201 | G181-H200 VanDerWaalsContact CA-NE2 3.28Å; G181-H200 WeakPolarHBondContact CA-NE2 3.4Å; G181-H200 PolarHBondContact N-CE1 2.85Å; G181-H200 PolarHBondContact N-NE2 3.37Å; G181-R201 WeakPolarHBondContact O-CD 3.31Å; G181-R201 PolarHBondContact O-NE 3.08Å; G181-R201 PolarHBondContact O-NH1 3.47Å |
| 182 | T | 98.3 | Very high | 98.6 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 22% | 0.221 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -142.4 | 155.5 | -177.5 | 59.6 | 0 | 0 | 0 | 0 | 109.4 | E184 G185 Q186 S319 | T182-E184 VanDerWaalsContact C-N 3.34Å; T182-E184 PolarHBondContact O-N 2.97Å; T182-G185 CarbonylContact O-C 3.58Å; T182-G185 WeakPolarHBondContact O-CA 3.33Å; T182-G185 PolarHBondContact O-N 3.46Å; T182-G185 PolarHBondContact OG1-N 2.96Å; T182-G185 VanDerWaalsContact OG1-N 3.09Å; T182-Q186 WeakPolarHBondContact O-CG 3.18Å; T182-Q186 PolarHBondContact O-N 3.4Å; T182-S319 VanDerWaalsContact CG2-O 3.23Å; T182-S319 WeakPolarHBondContact CG2-O 3.42Å |
| 183 | E | 98.1 | Very high | 98.5 | Very high | 111 Ų | 111 | 37.3 Ų | 37.3 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56 | -46.6 | 176.5 | 179.7 | 59.8 | -160.4 | 0 | 0 | 112 | G185 Q186 K187 | E183-G185 VanDerWaalsContact C-N 3.29Å; E183-G185 PolarHBondContact O-N 2.96Å; E183-Q186 WeakPolarHBondContact O-CB 3.47Å; E183-Q186 PolarHBondContact O-N 2.86Å; E183-Q186 VanDerWaalsContact O-N 3.08Å; E183-K187 WeakPolarHBondContact O-CG 3.45Å; E183-K187 PolarHBondContact O-N 3.31Å; E183-K187 WeakPolarHBondContact OE1-CE 3.37Å; E183-K187 IonicContact OE1-NZ 3.98Å |
| 184 | E | 98.2 | Very high | 98.6 | Very high | 108 Ų | 108 | 35.9 Ų | 35.9 | 51% | 0.505 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.3 | -35.8 | 176.2 | -61.5 | -51.7 | 125.1 | 0 | 0 | 112.3 | T182 Q186 K187 I188 T322 | T182-E184 VanDerWaalsContact C-N 3.34Å; T182-E184 PolarHBondContact O-N 2.97Å; E184-Q186 VanDerWaalsContact C-N 3.32Å; E184-K187 PolarHBondContact O-N 2.87Å; E184-K187 IonicContact OE1-NZ 2.76Å; E184-K187 PolarHBondContact OE1-NZ 3.34Å; E184-I188 PolarHBondContact O-N 3.01Å; E184-T322 HydrophobicContact CB-CG2 3.99Å |
| 185 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -36.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | A180 T182 E183 I188 V189 | A180-G185 WeakPolarHBondContact CB-O 3.22Å; T182-G185 CarbonylContact O-C 3.58Å; T182-G185 WeakPolarHBondContact O-CA 3.33Å; T182-G185 PolarHBondContact O-N 3.46Å; T182-G185 PolarHBondContact OG1-N 2.96Å; T182-G185 VanDerWaalsContact OG1-N 3.09Å; E183-G185 VanDerWaalsContact C-N 3.29Å; E183-G185 PolarHBondContact O-N 2.96Å; G185-I188 VanDerWaalsContact O-CG2 3.25Å; G185-I188 WeakPolarHBondContact O-CG2 3.34Å; G185-V189 WeakPolarHBondContact O-CG2 3.33Å; G185-V189 PolarHBondContact O-N 3.2Å |
| 186 | Q | 98.8 | Very high | 98.6 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.2 | -46.5 | 176.8 | -73 | 177.5 | -98.5 | 0 | 0 | 111.1 | A180 T182 E183 E184 I188 V189 L190 V197 | A180-Q186 HydrophobicContact CB-CG 3.97Å; T182-Q186 WeakPolarHBondContact O-CG 3.18Å; T182-Q186 PolarHBondContact O-N 3.4Å; E183-Q186 WeakPolarHBondContact O-CB 3.47Å; E183-Q186 PolarHBondContact O-N 2.86Å; E183-Q186 VanDerWaalsContact O-N 3.08Å; E184-Q186 VanDerWaalsContact C-N 3.32Å; Q186-I188 PolarHBondContact O-N 3.4Å; Q186-V189 PolarHBondContact O-N 2.91Å; Q186-L190 PolarHBondContact O-N 2.92Å; Q186-L190 VanDerWaalsContact O-N 3.09Å; Q186-V197 HydrophobicContact CB-CG1 3.69Å; Q186-V197 HydrophobicContact CB-CG2 4.05Å; Q186-V197 HydrophobicContact CG-CG1 4.08Å; Q186-V197 HydrophobicContact CG-CG2 3.93Å |
| 187 | K | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 176.6 | -69.8 | 173 | -172.1 | 163.6 | 0 | 112.2 | E183 E184 V189 L190 Q191 | E183-K187 WeakPolarHBondContact O-CG 3.45Å; E183-K187 PolarHBondContact O-N 3.31Å; E183-K187 WeakPolarHBondContact OE1-CE 3.37Å; E183-K187 IonicContact OE1-NZ 3.98Å; E184-K187 PolarHBondContact O-N 2.87Å; E184-K187 IonicContact OE1-NZ 2.76Å; E184-K187 PolarHBondContact OE1-NZ 3.34Å; K187-V189 VanDerWaalsContact C-N 3.29Å; K187-V189 PolarHBondContact O-N 2.94Å; K187-L190 PolarHBondContact O-N 3.11Å; K187-Q191 VanDerWaalsContact O-CG 3.28Å; K187-Q191 WeakPolarHBondContact O-CG 3.41Å; K187-Q191 PolarHBondContact O-N 2.88Å |
| 188 | I | 98.6 | Very high | 98.6 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 13% | 0.128 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -33.6 | -178.7 | -161.2 | 62.4 | 0 | 0 | 0 | 111.7 | L163 E184 G185 Q186 Q191 N192 V298 | L163-I188 HydrophobicContact CD1-CG1 4.09Å; L163-I188 HydrophobicContact CD2-CG2 4.32Å; E184-I188 PolarHBondContact O-N 3.01Å; G185-I188 VanDerWaalsContact O-CG2 3.25Å; G185-I188 WeakPolarHBondContact O-CG2 3.34Å; Q186-I188 PolarHBondContact O-N 3.4Å; I188-Q191 PolarHBondContact O-N 3.05Å; I188-N192 WeakPolarHBondContact O-CB 3.37Å; I188-N192 PolarHBondContact O-N 2.91Å; I188-N192 PolarHBondContact O-ND2 2.82Å; I188-V298 HydrophobicContact CD1-CG1 3.82Å; I188-V298 HydrophobicContact CG1-CG1 3.87Å |
| 189 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 176.3 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | A157 L163 A180 G185 Q186 K187 N192 G193 A194 V197 | A157-V189 HydrophobicContact CB-CB 4.29Å; A157-V189 HydrophobicContact CB-CG1 3.7Å; A157-V189 HydrophobicContact CB-CG2 3.5Å; A157-V189 VanDerWaalsContact CB-CG2 3.5Å; L163-V189 HydrophobicContact CD2-CG2 4.04Å; A180-V189 HydrophobicContact CB-CG2 4.39Å; G185-V189 WeakPolarHBondContact O-CG2 3.33Å; G185-V189 PolarHBondContact O-N 3.2Å; Q186-V189 PolarHBondContact O-N 2.91Å; K187-V189 VanDerWaalsContact C-N 3.29Å; K187-V189 PolarHBondContact O-N 2.94Å; V189-N192 PolarHBondContact O-N 3.05Å; V189-G193 PolarHBondContact O-N 3.23Å; V189-A194 HydrophobicContact CG1-CB 3.54Å; V189-A194 WeakPolarHBondContact O-CB 3.38Å; V189-A194 PolarHBondContact O-N 3.05Å; V189-V197 HydrophobicContact CB-CG2 3.98Å; V189-V197 HydrophobicContact CG1-CB 4.37Å; V189-V197 HydrophobicContact CG1-CG2 3.73Å |
| 190 | L | 98.8 | Very high | 98.5 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61 | -47 | 173.9 | -68.5 | 170 | 0 | 0 | 0 | 111.6 | Q186 K187 N192 G193 A194 V197 | Q186-L190 PolarHBondContact O-N 2.92Å; Q186-L190 VanDerWaalsContact O-N 3.09Å; K187-L190 PolarHBondContact O-N 3.11Å; L190-N192 PolarHBondContact O-N 2.99Å; L190-G193 PolarHBondContact O-N 2.97Å; L190-A194 HydrophobicContact CD2-CB 4.43Å; L190-V197 HydrophobicContact CD1-CG1 3.67Å; L190-V197 HydrophobicContact CD2-CB 4Å; L190-V197 HydrophobicContact CD2-CG1 3.88Å; L190-V197 HydrophobicContact CG-CB 4.03Å; L190-V197 HydrophobicContact CG-CG1 3.6Å |
| 191 | Q | 98.6 | Very high | 98.4 | Very high | 146 Ų | 146 | 50.9 Ų | 50.9 | 68% | 0.682 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58.9 | -22.4 | 178 | -73.1 | 172.5 | 0.3 | 0 | 0 | 113.4 | K187 I188 | K187-Q191 VanDerWaalsContact O-CG 3.28Å; K187-Q191 WeakPolarHBondContact O-CG 3.41Å; K187-Q191 PolarHBondContact O-N 2.88Å; I188-Q191 PolarHBondContact O-N 3.05Å |
| 192 | N | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 20 | -176.2 | -74.4 | -84.4 | 0 | 0 | 0 | 113.9 | L163 C166 Q167 I188 V189 L190 V298 | L163-N192 HydrophobicContact CD2-CB 3.95Å; C166-N192 CarbonylContact C-O 3.54Å; C166-N192 WeakPolarHBondContact CB-O 3.47Å; Q167-N192 HydrophobicContact CG-CB 4.29Å; Q167-N192 PolarHBondContact N-O 3.12Å; Q167-N192 PolarHBondContact NE2-OD1 3.2Å; I188-N192 WeakPolarHBondContact O-CB 3.37Å; I188-N192 PolarHBondContact O-N 2.91Å; I188-N192 PolarHBondContact O-ND2 2.82Å; V189-N192 PolarHBondContact O-N 3.05Å; L190-N192 PolarHBondContact O-N 2.99Å; N192-V298 WeakPolarHBondContact OD1-CG2 3.35Å |
| 193 | G | 97.2 | Very high | 98.2 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 112.6 | 1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V176 V189 L190 | V176-G193 WeakPolarHBondContact CB-O 3.2Å; V189-G193 PolarHBondContact O-N 3.23Å; L190-G193 PolarHBondContact O-N 2.97Å |
| 194 | A | 98.8 | Very high | 98 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | trans | -68.1 | 136.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | V176 V189 L190 | V176-A194 HydrophobicContact CG1-CB 4.19Å; V189-A194 HydrophobicContact CG1-CB 3.54Å; V189-A194 WeakPolarHBondContact O-CB 3.38Å; V189-A194 PolarHBondContact O-N 3.05Å; L190-A194 HydrophobicContact CD2-CB 4.43Å | ||
| 195 | H | 98.8 | Very high | 98 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -82.4 | -29.3 | 172.7 | -58 | 72.4 | 0 | 0 | 0 | 111.2 | R170 L174 V176 | R170-H195 PolarHBondContact NH1-CE1 2.92Å; R170-H195 PolarHBondContact NH1-NE2 3.4Å; L174-H195 PolarHBondContact O-CE1 2.92Å; V176-H195 PolarHBondContact N-CE1 2.74Å; V176-H195 PolarHBondContact N-ND1 3.04Å; V176-H195 WeakPolarHBondContact O-CB 3.45Å; V176-H195 PolarHBondContact O-N 3.1Å; V176-H195 PolarHBondContact O-ND1 2.96Å |
| 196 | E | 98.8 | Very high | 97.9 | Very high | 65 Ų | 65 | 54.1 Ų | 54.1 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148.2 | 178 | -173.2 | 58.6 | -83.9 | 0 | 0 | 109.9 | L177 G178 F198 Y212 | L177-E196 WeakPolarHBondContact CA-O 3.33Å; G178-E196 PolarHBondContact N-O 2.92Å; E196-F198 HydrophobicContact CB-CE2 4.22Å; E196-F198 HydrophobicContact CB-CZ 4.35Å; E196-F198 HydrophobicContact CG-CE1 4.16Å; E196-F198 HydrophobicContact CG-CE2 3.65Å; E196-F198 HydrophobicContact CG-CZ 3.44Å; E196-F198 VanDerWaalsContact CG-CZ 3.44Å; E196-Y212 HydrophobicContact CB-CD2 4.46Å; E196-Y212 HydrophobicContact CB-CE1 4.06Å; E196-Y212 HydrophobicContact CB-CE2 3.81Å; E196-Y212 HydrophobicContact CG-CD2 3.91Å; E196-Y212 HydrophobicContact CG-CE1 4.45Å; E196-Y212 HydrophobicContact CG-CE2 3.66Å; E196-Y212 HydrophobicContact CG-CG 4.4Å |
| 197 | V | 98.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.7 | -179.1 | 73.3 | 0 | 0 | 0 | 0 | 112.2 | G178 Q186 V189 L190 | G178-V197 VanDerWaalsContact O-CA 3.31Å; G178-V197 WeakPolarHBondContact O-CA 3.45Å; G178-V197 WeakPolarHBondContact O-CG2 3.43Å; Q186-V197 HydrophobicContact CB-CG1 3.69Å; Q186-V197 HydrophobicContact CB-CG2 4.05Å; Q186-V197 HydrophobicContact CG-CG1 4.08Å; Q186-V197 HydrophobicContact CG-CG2 3.93Å; V189-V197 HydrophobicContact CB-CG2 3.98Å; V189-V197 HydrophobicContact CG1-CB 4.37Å; V189-V197 HydrophobicContact CG1-CG2 3.73Å; L190-V197 HydrophobicContact CD1-CG1 3.67Å; L190-V197 HydrophobicContact CD2-CB 4Å; L190-V197 HydrophobicContact CD2-CG1 3.88Å; L190-V197 HydrophobicContact CG-CB 4.03Å; L190-V197 HydrophobicContact CG-CG1 3.6Å |
| 198 | F | 98.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.3 | -178.9 | -51.9 | -94.9 | 0 | 0 | 0 | 111 | L177 G178 T179 A180 E196 H200 Y205 K208 I209 Y212 | L177-F198 HydrophobicContact CB-CE2 4.31Å; L177-F198 HydrophobicContact CD2-CE2 3.84Å; L177-F198 HydrophobicContact CD2-CZ 4.27Å; L177-F198 HydrophobicContact CG-CE2 4.41Å; G178-F198 PolarHBondContact O-N 3.36Å; T179-F198 WeakPolarHBondContact CA-O 3.37Å; T179-F198 WeakPolarHBondContact CB-O 3.18Å; T179-F198 HydrophobicContact CG2-CB 4.35Å; A180-F198 PolarHBondContact N-O 3.24Å; A180-F198 VanDerWaalsContact N-O 3.08Å; E196-F198 HydrophobicContact CB-CE2 4.22Å; E196-F198 HydrophobicContact CB-CZ 4.35Å; E196-F198 HydrophobicContact CG-CE1 4.16Å; E196-F198 HydrophobicContact CG-CE2 3.65Å; E196-F198 HydrophobicContact CG-CZ 3.44Å; E196-F198 VanDerWaalsContact CG-CZ 3.44Å; F198-H200 PolarHBondContact O-N 3.1Å; F198-Y205 HydrophobicContact CB-CD2 4.4Å; F198-K208 HydrophobicContact CD1-CB 3.98Å; F198-K208 HydrophobicContact CE1-CB 4.13Å; F198-I209 HydrophobicContact CB-CD1 4.32Å; F198-I209 HydrophobicContact CB-CG1 4.17Å; F198-I209 HydrophobicContact CD1-CG1 3.64Å; F198-I209 HydrophobicContact CD2-CD1 4.09Å; F198-I209 HydrophobicContact CD2-CG1 3.55Å; F198-I209 HydrophobicContact CE1-CB 4.47Å; F198-I209 HydrophobicContact CE1-CG1 3.85Å; F198-I209 HydrophobicContact CE2-CG1 3.79Å; F198-I209 HydrophobicContact CG-CD1 4.09Å; F198-I209 HydrophobicContact CG-CG1 3.48Å; F198-I209 VanDerWaalsContact CG-CG1 3.48Å; F198-I209 HydrophobicContact CZ-CB 4.45Å; F198-I209 HydrophobicContact CZ-CG1 3.92Å; F198-Y212 HydrophobicContact CZ-CD1 4.35Å; F198-Y212 HydrophobicContact CZ-CD2 4.48Å; F198-Y212 HydrophobicContact CZ-CG 4.02Å |
| 199 | N | 98.5 | Very high | 97.8 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 108.3 | 175.6 | -171.6 | -16.6 | 0 | 0 | 0 | 110.4 | A180 R201 E202 Y205 | A180-N199 CarbonylContact O-C 3.52Å; A180-N199 WeakPolarHBondContact O-CA 3.44Å; A180-N199 PolarHBondContact O-OD1 3.39Å; N199-R201 PolarHBondContact O-N 3.07Å; N199-R201 VanDerWaalsContact O-N 3.13Å; N199-R201 WeakPolarHBondContact OD1-CB 3.24Å; N199-R201 PolarHBondContact OD1-N 2.98Å; N199-E202 HydrophobicContact CB-CB 4.35Å; N199-E202 HydrophobicContact CB-CG 3.76Å; N199-E202 WeakPolarHBondContact O-CB 3.31Å; N199-E202 PolarHBondContact O-N 2.9Å; N199-E202 VanDerWaalsContact O-N 3.09Å; N199-Y205 VanDerWaalsContact O-CB 3.22Å; N199-Y205 WeakPolarHBondContact O-CB 3.13Å |
| 200 | H | 97.8 | Very high | 97.8 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -3.5 | -178.8 | 58.8 | -127.3 | 0 | 0 | 0 | 114.2 | T179 A180 G181 F198 Y205 | T179-H200 PolarHBondContact OG1-ND1 3.49Å; A180-H200 PolarHBondContact O-N 3.41Å; G181-H200 VanDerWaalsContact CA-NE2 3.28Å; G181-H200 WeakPolarHBondContact CA-NE2 3.4Å; G181-H200 PolarHBondContact N-CE1 2.85Å; G181-H200 PolarHBondContact N-NE2 3.37Å; F198-H200 PolarHBondContact O-N 3.1Å; H200-Y205 HydrophobicContact CB-CE1 4.19Å; H200-Y205 HydrophobicContact CB-CE2 4.17Å |
| 201 | R | 96.4 | Very high | 97.8 | Very high | 142 Ų | 142 | 66.2 Ų | 66.2 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -15 | 170.6 | -62.9 | -169.6 | 177.7 | 152.4 | -7.9 | 113.3 | G181 N199 S319 | G181-R201 WeakPolarHBondContact O-CD 3.31Å; G181-R201 PolarHBondContact O-NE 3.08Å; G181-R201 PolarHBondContact O-NH1 3.47Å; N199-R201 PolarHBondContact O-N 3.07Å; N199-R201 VanDerWaalsContact O-N 3.13Å; N199-R201 WeakPolarHBondContact OD1-CB 3.24Å; N199-R201 PolarHBondContact OD1-N 2.98Å; R201-S319 VanDerWaalsContact CZ-O 3.28Å; R201-S319 PolarHBondContact NH1-O 3.26Å; R201-S319 PolarHBondContact NH2-O 3.43Å |
| 202 | E | 97.2 | Very high | 97.7 | Very high | 76 Ų | 76 | 63.1 Ų | 63.1 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -72.3 | 140.1 | 177.6 | -75.6 | 175.1 | -172 | 0 | 0 | 110.9 | N199 N204 Y205 K208 | N199-E202 HydrophobicContact CB-CB 4.35Å; N199-E202 HydrophobicContact CB-CG 3.76Å; N199-E202 WeakPolarHBondContact O-CB 3.31Å; N199-E202 PolarHBondContact O-N 2.9Å; N199-E202 VanDerWaalsContact O-N 3.09Å; E202-N204 PolarHBondContact O-N 2.58Å; E202-Y205 WeakPolarHBondContact O-CD1 3.28Å; E202-Y205 PolarHBondContact O-N 3.31Å; E202-K208 IonicContact OE2-NZ 2.63Å; E202-K208 PolarHBondContact OE2-NZ 2.9Å |
| 203 | V | 94.8 | Very high | 97.7 | Very high | 122 Ų | 122 | 63.3 Ų | 63.3 | 74% | 0.739 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 135.3 | 170.2 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | Y205 | V203-Y205 VanDerWaalsContact C-N 3.25Å; V203-Y205 PolarHBondContact O-N 3.23Å |
| 204 | N | 94.5 | Very high | 97.7 | Very high | 107 Ų | 107 | 64.3 Ų | 64.3 | 57% | 0.572 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 25.2 | 177 | -56.3 | -19.1 | 0 | 0 | 0 | 115.3 | E202 I206 D207 K208 | E202-N204 PolarHBondContact O-N 2.58Å; N204-I206 PolarHBondContact O-N 2.8Å; N204-I206 VanDerWaalsContact O-N 3.15Å; N204-D207 HydrophobicContact CB-CB 4.5Å; N204-D207 WeakPolarHBondContact CB-OD2 3.36Å; N204-D207 WeakPolarHBondContact O-CB 3.45Å; N204-D207 PolarHBondContact O-N 3.22Å; N204-K208 PolarHBondContact O-N 3.4Å |
| 205 | Y | 97.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.6 | -28.8 | 174.7 | 80.1 | -87.5 | 0 | 0 | 0 | 112.9 | H155 T179 F198 N199 H200 E202 V203 D207 K208 I209 N229 | H155-Y205 PolarHBondContact CE1-OH 3.24Å; H155-Y205 AromaticContact NE2-CE2 3.86Å; H155-Y205 AromaticContact NE2-CZ 3.74Å; H155-Y205 PolarHBondContact NE2-OH 2.88Å; T179-Y205 HydrophobicContact CG2-CE2 4.27Å; F198-Y205 HydrophobicContact CB-CD2 4.4Å; N199-Y205 VanDerWaalsContact O-CB 3.22Å; N199-Y205 WeakPolarHBondContact O-CB 3.13Å; H200-Y205 HydrophobicContact CB-CE1 4.19Å; H200-Y205 HydrophobicContact CB-CE2 4.17Å; E202-Y205 WeakPolarHBondContact O-CD1 3.28Å; E202-Y205 PolarHBondContact O-N 3.31Å; V203-Y205 VanDerWaalsContact C-N 3.25Å; V203-Y205 PolarHBondContact O-N 3.23Å; Y205-D207 VanDerWaalsContact C-N 3.29Å; Y205-D207 PolarHBondContact O-N 2.88Å; Y205-K208 WeakPolarHBondContact O-CB 3.42Å; Y205-K208 PolarHBondContact O-N 2.61Å; Y205-I209 HydrophobicContact CD2-CD1 3.75Å; Y205-I209 HydrophobicContact CE2-CD1 3.87Å; Y205-I209 WeakPolarHBondContact O-CG1 3.39Å; Y205-I209 PolarHBondContact O-N 3.43Å; Y205-N229 PolarHBondContact OH-OD1 3.07Å |
| 206 | I | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 76.8 Ų | 76.8 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60 | -38.2 | 173.9 | -63.3 | -66.6 | 0 | 0 | 0 | 111.7 | N204 K208 I209 K210 K232 L236 | N204-I206 PolarHBondContact O-N 2.8Å; N204-I206 VanDerWaalsContact O-N 3.15Å; I206-K208 VanDerWaalsContact C-N 3.3Å; I206-K208 PolarHBondContact O-N 3.18Å; I206-I209 HydrophobicContact CD1-CD1 4.41Å; I206-I209 WeakPolarHBondContact O-CB 3.25Å; I206-I209 PolarHBondContact O-N 3.31Å; I206-K210 HydrophobicContact CG2-CD 4.45Å; I206-K210 WeakPolarHBondContact O-CG 3.23Å; I206-K210 PolarHBondContact O-N 2.98Å; I206-K232 HydrophobicContact CD1-CB 3.97Å; I206-K232 HydrophobicContact CD1-CD 4.31Å; I206-K232 HydrophobicContact CG1-CB 4.19Å; I206-K232 HydrophobicContact CG1-CD 3.93Å; I206-K232 HydrophobicContact CG1-CG 4.3Å; I206-L236 HydrophobicContact CD1-CD1 4.04Å; I206-L236 HydrophobicContact CG2-CD2 4.2Å; I206-L236 HydrophobicContact CG2-CG 4.44Å |
| 207 | D | 97.4 | Very high | 97.4 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.7 | -33 | 178.8 | -61.1 | -33.2 | 0 | 0 | 0 | 111.1 | N204 Y205 I209 K210 K211 | N204-D207 HydrophobicContact CB-CB 4.5Å; N204-D207 WeakPolarHBondContact CB-OD2 3.36Å; N204-D207 WeakPolarHBondContact O-CB 3.45Å; N204-D207 PolarHBondContact O-N 3.22Å; Y205-D207 VanDerWaalsContact C-N 3.29Å; Y205-D207 PolarHBondContact O-N 2.88Å; D207-I209 VanDerWaalsContact C-N 3.35Å; D207-K210 PolarHBondContact O-N 3.33Å; D207-K211 WeakPolarHBondContact O-CB 3.41Å; D207-K211 PolarHBondContact O-N 3.34Å |
| 208 | K | 98.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 73.6 Ų | 73.6 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 170.8 | -59.4 | -176.7 | 178.5 | -177.8 | 0 | 111.1 | F198 E202 N204 Y205 I206 K211 Y212 | F198-K208 HydrophobicContact CD1-CB 3.98Å; F198-K208 HydrophobicContact CE1-CB 4.13Å; E202-K208 IonicContact OE2-NZ 2.63Å; E202-K208 PolarHBondContact OE2-NZ 2.9Å; N204-K208 PolarHBondContact O-N 3.4Å; Y205-K208 WeakPolarHBondContact O-CB 3.42Å; Y205-K208 PolarHBondContact O-N 2.61Å; I206-K208 VanDerWaalsContact C-N 3.3Å; I206-K208 PolarHBondContact O-N 3.18Å; K208-K211 PolarHBondContact O-N 3.24Å; K208-Y212 WeakPolarHBondContact O-CB 3.32Å; K208-Y212 PolarHBondContact O-N 2.89Å |
| 209 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 174.8 | -62.8 | 169.7 | 0 | 0 | 0 | 110 | L153 L177 T179 F198 Y205 I206 D207 K211 Y212 V213 I218 L236 | L153-I209 HydrophobicContact CD1-CD1 4.49Å; L153-I209 HydrophobicContact CD2-CD1 4.33Å; L177-I209 HydrophobicContact CD2-CG2 4.48Å; T179-I209 HydrophobicContact CG2-CD1 4.29Å; F198-I209 HydrophobicContact CB-CD1 4.32Å; F198-I209 HydrophobicContact CB-CG1 4.17Å; F198-I209 HydrophobicContact CD1-CG1 3.64Å; F198-I209 HydrophobicContact CD2-CD1 4.09Å; F198-I209 HydrophobicContact CD2-CG1 3.55Å; F198-I209 HydrophobicContact CE1-CB 4.47Å; F198-I209 HydrophobicContact CE1-CG1 3.85Å; F198-I209 HydrophobicContact CE2-CG1 3.79Å; F198-I209 HydrophobicContact CG-CD1 4.09Å; F198-I209 HydrophobicContact CG-CG1 3.48Å; F198-I209 VanDerWaalsContact CG-CG1 3.48Å; F198-I209 HydrophobicContact CZ-CB 4.45Å; F198-I209 HydrophobicContact CZ-CG1 3.92Å; Y205-I209 HydrophobicContact CD2-CD1 3.75Å; Y205-I209 HydrophobicContact CE2-CD1 3.87Å; Y205-I209 WeakPolarHBondContact O-CG1 3.39Å; Y205-I209 PolarHBondContact O-N 3.43Å; I206-I209 HydrophobicContact CD1-CD1 4.41Å; I206-I209 WeakPolarHBondContact O-CB 3.25Å; I206-I209 PolarHBondContact O-N 3.31Å; D207-I209 VanDerWaalsContact C-N 3.35Å; I209-K211 VanDerWaalsContact C-N 3.31Å; I209-K211 PolarHBondContact O-N 3.02Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 2.88Å; I209-V213 HydrophobicContact CG2-CG1 4.31Å; I209-V213 WeakPolarHBondContact O-CG2 3.36Å; I209-V213 PolarHBondContact O-N 2.87Å; I209-I218 HydrophobicContact CG2-CD1 3.86Å; I209-L236 HydrophobicContact CB-CD2 4.23Å; I209-L236 HydrophobicContact CD1-CD1 4.48Å; I209-L236 HydrophobicContact CG2-CD1 4.09Å; I209-L236 HydrophobicContact CG2-CD2 3.82Å |
| 210 | K | 97.7 | Very high | 97.4 | Very high | 84 Ų | 84 | 72.5 Ų | 72.5 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -53.9 | -47.1 | 176.9 | -74.7 | 179 | 178.5 | 174.5 | 0 | 111.9 | I206 D207 Y212 V213 G214 S235 L236 | I206-K210 HydrophobicContact CG2-CD 4.45Å; I206-K210 WeakPolarHBondContact O-CG 3.23Å; I206-K210 PolarHBondContact O-N 2.98Å; D207-K210 PolarHBondContact O-N 3.33Å; K210-Y212 VanDerWaalsContact C-N 3.28Å; K210-Y212 PolarHBondContact O-N 2.89Å; K210-V213 PolarHBondContact O-N 3.16Å; K210-G214 WeakPolarHBondContact O-CA 3.43Å; K210-G214 PolarHBondContact O-N 2.64Å; K210-S235 VanDerWaalsContact CE-OG 3.3Å; K210-S235 WeakPolarHBondContact CE-OG 3.48Å; K210-S235 PolarHBondContact NZ-OG 3.03Å; K210-L236 HydrophobicContact CG-CD2 3.5Å |
| 211 | K | 98.1 | Very high | 97.5 | Very high | 188 Ų | 188 | 69.3 Ų | 69.3 | 82% | 0.817 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.3 | -38.4 | 176.9 | -176 | 176.6 | 179.2 | 179.3 | 0 | 112.3 | D207 K208 I209 | D207-K211 WeakPolarHBondContact O-CB 3.41Å; D207-K211 PolarHBondContact O-N 3.34Å; K208-K211 PolarHBondContact O-N 3.24Å; I209-K211 VanDerWaalsContact C-N 3.31Å; I209-K211 PolarHBondContact O-N 3.02Å |
| 212 | Y | 98.3 | Very high | 97.6 | Very high | 82 Ų | 82 | 62.6 Ų | 62.6 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.3 | -39.2 | -179.8 | -177 | -87.5 | 0 | 0 | 0 | 113 | L177 E196 F198 K208 I209 K210 | L177-Y212 HydrophobicContact CD2-CD1 3.68Å; L177-Y212 HydrophobicContact CD2-CE1 3.91Å; L177-Y212 HydrophobicContact CG-CD1 4.48Å; L177-Y212 HydrophobicContact CG-CE1 4.22Å; E196-Y212 HydrophobicContact CB-CD2 4.46Å; E196-Y212 HydrophobicContact CB-CE1 4.06Å; E196-Y212 HydrophobicContact CB-CE2 3.81Å; E196-Y212 HydrophobicContact CG-CD2 3.91Å; E196-Y212 HydrophobicContact CG-CE1 4.45Å; E196-Y212 HydrophobicContact CG-CE2 3.66Å; E196-Y212 HydrophobicContact CG-CG 4.4Å; F198-Y212 HydrophobicContact CZ-CD1 4.35Å; F198-Y212 HydrophobicContact CZ-CD2 4.48Å; F198-Y212 HydrophobicContact CZ-CG 4.02Å; K208-Y212 WeakPolarHBondContact O-CB 3.32Å; K208-Y212 PolarHBondContact O-N 2.89Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 2.88Å; K210-Y212 VanDerWaalsContact C-N 3.28Å; K210-Y212 PolarHBondContact O-N 2.89Å |
| 213 | V | 97.7 | Very high | 97.7 | Very high | 25 Ų | 25 | 59 Ų | 59 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -88.8 | -22.3 | -177 | -56.1 | 0 | 0 | 0 | 0 | 113.2 | L177 I209 K210 I218 | L177-V213 HydrophobicContact CD2-CG1 3.63Å; I209-V213 HydrophobicContact CG2-CG1 4.31Å; I209-V213 WeakPolarHBondContact O-CG2 3.36Å; I209-V213 PolarHBondContact O-N 2.87Å; K210-V213 PolarHBondContact O-N 3.16Å; V213-I218 HydrophobicContact CB-CG1 4.28Å; V213-I218 HydrophobicContact CG1-CD1 4Å; V213-I218 HydrophobicContact CG1-CG1 3.8Å; V213-I218 HydrophobicContact CG2-CG1 4.23Å |
| 214 | G | 97.2 | Very high | 97.8 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | 65.3 | -164.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K210 K216 G217 | K210-G214 WeakPolarHBondContact O-CA 3.43Å; K210-G214 PolarHBondContact O-N 2.64Å; G214-K216 PolarHBondContact O-N 3.03Å; G214-K216 VanDerWaalsContact O-N 3.12Å; G214-G217 PolarHBondContact O-N 3.17Å; G214-G217 VanDerWaalsContact O-N 3.16Å |
| 215 | E | 95.6 | Very high | 98 | Very high | 202 Ų | 202 | 52.4 Ų | 52.4 | 94% | 0.944 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -61.3 | -21.9 | -176.9 | -63.7 | -58.3 | 139.8 | 0 | 0 | 114 | G217 | E215-G217 VanDerWaalsContact C-N 3.26Å; E215-G217 PolarHBondContact O-N 2.8Å |
| 216 | K | 95.7 | Very high | 98 | Very high | 146 Ų | 146 | 52 Ų | 52 | 64% | 0.635 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -65.4 | -31.8 | 178.7 | -170.8 | -179.9 | 176.5 | -172.1 | 0 | 111.8 | G214 S238 | G214-K216 PolarHBondContact O-N 3.03Å; G214-K216 VanDerWaalsContact O-N 3.12Å; K216-S238 VanDerWaalsContact O-CA 3.23Å; K216-S238 WeakPolarHBondContact O-CA 3.22Å; K216-S238 WeakPolarHBondContact O-CB 3.43Å |
| 217 | G | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | trans | 70.7 | -157.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G214 E215 L236 | G214-G217 PolarHBondContact O-N 3.17Å; G214-G217 VanDerWaalsContact O-N 3.16Å; E215-G217 VanDerWaalsContact C-N 3.26Å; E215-G217 PolarHBondContact O-N 2.8Å; G217-L236 CarbonylContact C-O 3.44Å; G217-L236 VanDerWaalsContact CA-O 3.24Å; G217-L236 WeakPolarHBondContact CA-O 3.43Å | ||
| 218 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.2 | -173.7 | -53 | -176.6 | 0 | 0 | 0 | 110.5 | S151 L153 L177 I209 V213 V220 I221 L236 L237 S238 | S151-I218 WeakPolarHBondContact OG-CA 3.34Å; L153-I218 HydrophobicContact CB-CD1 3.8Å; L153-I218 HydrophobicContact CB-CG2 4.13Å; L153-I218 HydrophobicContact CD2-CD1 4.12Å; L153-I218 HydrophobicContact CG-CD1 4.49Å; L177-I218 HydrophobicContact CD2-CD1 4.48Å; I209-I218 HydrophobicContact CG2-CD1 3.86Å; V213-I218 HydrophobicContact CB-CG1 4.28Å; V213-I218 HydrophobicContact CG1-CD1 4Å; V213-I218 HydrophobicContact CG1-CG1 3.8Å; V213-I218 HydrophobicContact CG2-CG1 4.23Å; I218-V220 WeakPolarHBondContact CG2-O 3.37Å; I218-I221 HydrophobicContact CG2-CG1 4.3Å; I218-L236 HydrophobicContact CD1-CB 4.35Å; I218-L236 PolarHBondContact N-O 3.43Å; I218-L237 CarbonylContact O-C 3.6Å; I218-L237 WeakPolarHBondContact O-CA 3.29Å; I218-L237 WeakPolarHBondContact O-CD2 3.42Å; I218-S238 PolarHBondContact O-N 2.79Å; I218-S238 PolarHBondContact O-OG 3.01Å |
| 219 | D | 98.9 | Very high | 98.1 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -38.1 | -175.2 | -51.7 | -56.8 | 0 | 0 | 0 | 112.3 | E150 S151 S238 G241 R242 | E150-D219 HydrophobicContact CB-CB 4.1Å; E150-D219 HydrophobicContact CG-CB 4.35Å; S151-D219 PolarHBondContact N-OD2 3.26Å; S151-D219 WeakPolarHBondContact O-CB 3.49Å; S151-D219 PolarHBondContact O-N 3.3Å; S151-D219 PolarHBondContact OG-N 3.23Å; S151-D219 PolarHBondContact OG-OD2 2.89Å; D219-S238 WeakPolarHBondContact CA-OG 3.49Å; D219-S238 PolarHBondContact OD1-OG 2.96Å; D219-G241 VanDerWaalsContact O-CA 3.3Å; D219-G241 WeakPolarHBondContact O-CA 3.26Å; D219-R242 WeakPolarHBondContact O-CD 3.42Å; D219-R242 PolarHBondContact O-N 3.4Å; D219-R242 PolarHBondContact O-NH1 3.04Å |
| 220 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.4 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | A144 V146 S151 V152 L153 I218 I222 R242 | A144-V220 HydrophobicContact CB-CG1 3.71Å; A144-V220 HydrophobicContact CB-CG2 4.11Å; V146-V220 HydrophobicContact CG1-CG2 4.12Å; S151-V220 PolarHBondContact O-N 3.11Å; V152-V220 CarbonylContact C-O 3.45Å; V152-V220 WeakPolarHBondContact CA-O 3.45Å; V152-V220 HydrophobicContact CB-CB 4.17Å; V152-V220 HydrophobicContact CG2-CB 3.97Å; V152-V220 HydrophobicContact CG2-CG1 3.95Å; L153-V220 PolarHBondContact N-O 3.48Å; I218-V220 WeakPolarHBondContact CG2-O 3.37Å; V220-I222 HydrophobicContact CG1-CD1 3.73Å; V220-I222 HydrophobicContact CG1-CG1 4.32Å; V220-R242 CarbonylContact C-O 3.54Å; V220-R242 WeakPolarHBondContact CA-O 3.38Å; V220-R242 HydrophobicContact CG2-CG 4.37Å; V220-R242 VanDerWaalsContact CG2-NH1 3.34Å |
| 221 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.4 | 167.1 | -58.5 | 175.9 | 0 | 0 | 0 | 108.3 | L153 H155 I218 E223 D233 L236 L237 R242 V243 I244 | L153-I221 HydrophobicContact CB-CG1 4.18Å; L153-I221 HydrophobicContact CD2-CG2 4.44Å; L153-I221 CarbonylContact O-C 3.52Å; L153-I221 WeakPolarHBondContact O-CA 3.34Å; H155-I221 HydrophobicContact CB-CG2 4.34Å; I218-I221 HydrophobicContact CG2-CG1 4.3Å; I221-E223 HydrophobicContact CG2-CB 4.44Å; I221-D233 HydrophobicContact CD1-CB 3.67Å; I221-D233 WeakPolarHBondContact CD1-O 3.3Å; I221-D233 HydrophobicContact CG2-CB 4.34Å; I221-L236 HydrophobicContact CD1-CB 4.07Å; I221-L237 HydrophobicContact CB-CD2 4.47Å; I221-L237 HydrophobicContact CD1-CD2 3.61Å; I221-L237 HydrophobicContact CD1-CG 4.01Å; I221-L237 HydrophobicContact CG1-CD2 3.71Å; I221-R242 PolarHBondContact N-O 2.89Å; I221-V243 HydrophobicContact CB-CB 4.12Å; I221-V243 HydrophobicContact CB-CG2 4Å; I221-V243 HydrophobicContact CG2-CG2 4.02Å; I221-V243 CarbonylContact O-C 3.49Å; I221-V243 WeakPolarHBondContact O-CA 3.49Å; I221-I244 PolarHBondContact O-N 2.66Å |
| 222 | I | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 106.3 | 170.6 | -53 | -57.8 | 0 | 0 | 0 | 107.3 | A139 L140 V152 L153 H155 V220 M224 I244 V246 | A139-I222 HydrophobicContact CB-CD1 4.22Å; L140-I222 HydrophobicContact CD2-CD1 3.85Å; L140-I222 HydrophobicContact CD2-CG1 3.97Å; L140-I222 HydrophobicContact CG-CD1 4.27Å; V152-I222 HydrophobicContact CG2-CG1 3.97Å; L153-I222 PolarHBondContact O-N 2.95Å; H155-I222 PolarHBondContact N-O 3.2Å; V220-I222 HydrophobicContact CG1-CD1 3.73Å; V220-I222 HydrophobicContact CG1-CG1 4.32Å; I222-M224 HydrophobicContact CG2-CE 3.53Å; I222-I244 HydrophobicContact CD1-CB 4.02Å; I222-I244 HydrophobicContact CD1-CG1 3.91Å; I222-V246 HydrophobicContact CG2-CG2 3.71Å |
| 223 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.3 | -167.2 | -179.2 | 51.4 | -123.3 | 0 | 0 | 112.4 | H155 I221 L225 A226 N229 V243 I244 V246 G247 | H155-E223 WeakPolarHBondContact CB-OE2 3.3Å; H155-E223 IonicContact CE1-OE2 3.95Å; H155-E223 IonicContact CG-OE2 3.9Å; H155-E223 IonicContact ND1-OE2 2.8Å; H155-E223 PolarHBondContact ND1-OE2 3.31Å; I221-E223 HydrophobicContact CG2-CB 4.44Å; E223-L225 VanDerWaalsContact OE1-CA 3.31Å; E223-L225 WeakPolarHBondContact OE1-CA 3.38Å; E223-L225 PolarHBondContact OE1-N 2.87Å; E223-A226 HydrophobicContact CG-CB 3.77Å; E223-A226 PolarHBondContact OE1-N 2.91Å; E223-N229 PolarHBondContact OE1-ND2 2.7Å; E223-N229 WeakPolarHBondContact OE2-CB 3.41Å; E223-V243 HydrophobicContact CB-CG2 3.76Å; E223-I244 PolarHBondContact N-O 2.97Å; E223-V246 WeakPolarHBondContact O-CB 3.46Å; E223-V246 PolarHBondContact O-N 3.26Å; E223-G247 PolarHBondContact O-N 3.21Å |
| 224 | M | 98.3 | Very high | 98.2 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -96.6 | -12.7 | -177.3 | -56.9 | -62.3 | 170.1 | 0 | 0 | 114 | V154 H155 V161 I222 V246 G247 | V154-M224 HydrophobicContact CG1-CE 4.48Å; H155-M224 VanDerWaalsContact O-CB 3.3Å; H155-M224 WeakPolarHBondContact O-CB 3.45Å; H155-M224 VanDerWaalsContact O-CG 3.22Å; H155-M224 WeakPolarHBondContact O-CG 3.19Å; H155-M224 PolarHBondContact O-N 2.86Å; V161-M224 HydrophobicContact CB-CE 3.81Å; V161-M224 HydrophobicContact CB-SD 4.1Å; V161-M224 HydrophobicContact CG1-CE 3.48Å; V161-M224 VanDerWaalsContact CG1-CE 3.48Å; V161-M224 HydrophobicContact CG1-SD 4.1Å; I222-M224 HydrophobicContact CG2-CE 3.53Å; M224-V246 HydrophobicContact CE-CB 4.49Å; M224-V246 HydrophobicContact CE-CG1 4.4Å; M224-V246 HydrophobicContact SD-CB 3.84Å; M224-V246 HydrophobicContact SD-CG1 3.7Å; M224-V246 HydrophobicContact SD-CG2 4.48Å; M224-G247 CarbonylContact C-O 3.58Å; M224-G247 CarbonylContact O-C 3.49Å; M224-G247 VanDerWaalsContact O-CA 3.29Å; M224-G247 WeakPolarHBondContact O-CA 3.34Å |
| 225 | L | 97.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 37.6 Ų | 37.6 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | trans | -146.6 | 59.5 | -176.8 | -164.4 | 65.5 | 0 | 0 | 0 | 111.4 | E223 N227 V228 N229 G247 R249 | E223-L225 VanDerWaalsContact OE1-CA 3.31Å; E223-L225 WeakPolarHBondContact OE1-CA 3.38Å; E223-L225 PolarHBondContact OE1-N 2.87Å; L225-N227 WeakPolarHBondContact CD1-OD1 3.18Å; L225-N227 PolarHBondContact O-N 2.82Å; L225-N227 VanDerWaalsContact O-N 3.1Å; L225-V228 HydrophobicContact CD2-CB 4.1Å; L225-V228 HydrophobicContact CD2-CG2 3.61Å; L225-V228 HydrophobicContact CG-CB 4.16Å; L225-V228 HydrophobicContact CG-CG2 3.78Å; L225-V228 PolarHBondContact O-N 2.96Å; L225-N229 PolarHBondContact O-N 2.89Å; L225-G247 PolarHBondContact N-O 3.49Å; L225-R249 HydrophobicContact CD1-CB 4.44Å; L225-R249 HydrophobicContact CD1-CG 4.12Å | ||
| 226 | A | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.5 | -33 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E223 V228 N229 L230 V245 G247 N248 | E223-A226 HydrophobicContact CG-CB 3.77Å; E223-A226 PolarHBondContact OE1-N 2.91Å; A226-V228 PolarHBondContact O-N 2.94Å; A226-N229 PolarHBondContact O-N 3.21Å; A226-L230 HydrophobicContact CB-CB 4.37Å; A226-L230 WeakPolarHBondContact O-CB 3.45Å; A226-L230 PolarHBondContact O-N 3.14Å; A226-V245 HydrophobicContact CB-CG1 3.78Å; A226-V245 HydrophobicContact CB-CG2 4.23Å; A226-G247 PolarHBondContact N-O 3.48Å; A226-N248 HydrophobicContact CB-CB 4.39Å |
| 227 | N | 97.9 | Very high | 98.5 | Very high | 37 Ų | 37 | 21.2 Ų | 21.2 | 20% | 0.198 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -6.8 | 175.8 | 64.5 | -77.5 | 0 | 0 | 0 | 114.7 | L225 N248 R249 | L225-N227 WeakPolarHBondContact CD1-OD1 3.18Å; L225-N227 PolarHBondContact O-N 2.82Å; L225-N227 VanDerWaalsContact O-N 3.1Å; N227-N248 VanDerWaalsContact CB-OD1 3.26Å; N227-N248 WeakPolarHBondContact CB-OD1 3.34Å; N227-N248 PolarHBondContact N-OD1 2.76Å; N227-N248 VanDerWaalsContact N-OD1 3.07Å; N227-R249 PolarHBondContact OD1-N 2.95Å |
| 228 | V | 98 | Very high | 98.6 | Very high | 72 Ų | 72 | 21 Ų | 21 | 44% | 0.436 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -110 | -35.7 | 173.4 | 179 | 0 | 0 | 0 | 0 | 111.4 | L225 A226 | L225-V228 HydrophobicContact CD2-CB 4.1Å; L225-V228 HydrophobicContact CD2-CG2 3.61Å; L225-V228 HydrophobicContact CG-CB 4.16Å; L225-V228 HydrophobicContact CG-CG2 3.78Å; L225-V228 PolarHBondContact O-N 2.96Å; A226-V228 PolarHBondContact O-N 2.94Å |
| 229 | N | 98.6 | Very high | 98.6 | Very high | 11 Ų | 11 | 27 Ų | 27 | 6% | 0.059 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -110.9 | -22.2 | -163 | -62.4 | -36.3 | 0 | 0 | 0 | 115 | H155 Y205 E223 L225 A226 S231 K232 D233 | H155-N229 PolarHBondContact CD2-ND2 2.76Å; H155-N229 PolarHBondContact CE1-ND2 3.24Å; H155-N229 PolarHBondContact CE1-OD1 3.31Å; H155-N229 PolarHBondContact NE2-ND2 3.39Å; Y205-N229 PolarHBondContact OH-OD1 3.07Å; E223-N229 PolarHBondContact OE1-ND2 2.7Å; E223-N229 WeakPolarHBondContact OE2-CB 3.41Å; L225-N229 PolarHBondContact O-N 2.89Å; A226-N229 PolarHBondContact O-N 3.21Å; N229-S231 VanDerWaalsContact C-N 3.32Å; N229-S231 PolarHBondContact O-N 2.9Å; N229-S231 VanDerWaalsContact O-N 3.07Å; N229-K232 CarbonylContact O-C 3.42Å; N229-K232 WeakPolarHBondContact O-CA 3.46Å; N229-K232 WeakPolarHBondContact O-CB 3.39Å; N229-K232 PolarHBondContact O-N 2.91Å; N229-D233 WeakPolarHBondContact CB-OD2 3.43Å; N229-D233 VanDerWaalsContact O-CG 3.31Å; N229-D233 PolarHBondContact O-N 2.66Å |
| 230 | L | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.1 | -42.9 | -163.2 | -174 | 61.4 | 0 | 0 | 0 | 113.9 | A226 K232 D233 L234 V243 V245 I252 I254 I266 | A226-L230 HydrophobicContact CB-CB 4.37Å; A226-L230 WeakPolarHBondContact O-CB 3.45Å; A226-L230 PolarHBondContact O-N 3.14Å; L230-K232 VanDerWaalsContact C-N 3.35Å; L230-K232 PolarHBondContact O-N 3.06Å; L230-D233 WeakPolarHBondContact CA-OD2 3.29Å; L230-D233 PolarHBondContact N-OD2 3.09Å; L230-D233 WeakPolarHBondContact O-CB 3.4Å; L230-D233 PolarHBondContact O-N 2.82Å; L230-L234 WeakPolarHBondContact O-CG 3.21Å; L230-L234 PolarHBondContact O-N 2.74Å; L230-L234 VanDerWaalsContact O-N 3.13Å; L230-V243 HydrophobicContact CD1-CG1 3.7Å; L230-V243 HydrophobicContact CD1-CG2 4.1Å; L230-V245 HydrophobicContact CD1-CG2 4.39Å; L230-I252 HydrophobicContact CB-CD1 4.44Å; L230-I252 HydrophobicContact CB-CG2 4.01Å; L230-I252 HydrophobicContact CD2-CG2 4.23Å; L230-I254 HydrophobicContact CB-CG2 4.36Å; L230-I254 HydrophobicContact CD2-CG2 4.12Å; L230-I254 HydrophobicContact CG-CG2 4.12Å; L230-I266 HydrophobicContact CD1-CD1 4.39Å; L230-I266 HydrophobicContact CD1-CG2 4.12Å; L230-I266 HydrophobicContact CD2-CD1 4.38Å; L230-I266 HydrophobicContact CD2-CG2 4.45Å |
| 231 | S | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 28.1 Ų | 28.1 | 29% | 0.287 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 175.6 | 169.9 | 0 | 0 | 0 | 0 | 112.6 | N229 L234 S235 | N229-S231 VanDerWaalsContact C-N 3.32Å; N229-S231 PolarHBondContact O-N 2.9Å; N229-S231 VanDerWaalsContact O-N 3.07Å; S231-L234 PolarHBondContact O-N 2.95Å; S231-S235 PolarHBondContact O-N 3.1Å |
| 232 | K | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 29.4 Ų | 29.4 | 42% | 0.422 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.8 | -37.9 | 177.3 | -67.3 | 163.4 | 168.9 | -175.7 | 0 | 111.1 | I206 N229 L230 L234 S235 L236 | I206-K232 HydrophobicContact CD1-CB 3.97Å; I206-K232 HydrophobicContact CD1-CD 4.31Å; I206-K232 HydrophobicContact CG1-CB 4.19Å; I206-K232 HydrophobicContact CG1-CD 3.93Å; I206-K232 HydrophobicContact CG1-CG 4.3Å; N229-K232 CarbonylContact O-C 3.42Å; N229-K232 WeakPolarHBondContact O-CA 3.46Å; N229-K232 WeakPolarHBondContact O-CB 3.39Å; N229-K232 PolarHBondContact O-N 2.91Å; L230-K232 VanDerWaalsContact C-N 3.35Å; L230-K232 PolarHBondContact O-N 3.06Å; K232-L234 VanDerWaalsContact C-N 3.33Å; K232-L234 PolarHBondContact O-N 3.4Å; K232-S235 WeakPolarHBondContact O-CB 3.27Å; K232-S235 PolarHBondContact O-N 2.79Å; K232-S235 VanDerWaalsContact O-N 3.09Å; K232-S235 PolarHBondContact O-OG 2.76Å; K232-L236 PolarHBondContact O-N 2.89Å |
| 233 | D | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 176.9 | -60 | -35 | 0 | 0 | 0 | 111 | H155 I221 N229 L230 S235 L236 L237 V243 | H155-D233 IonicContact CE1-OD1 2.76Å; H155-D233 IonicContact ND1-OD1 3.85Å; H155-D233 PolarHBondContact ND1-OD1 3.02Å; I221-D233 HydrophobicContact CD1-CB 3.67Å; I221-D233 WeakPolarHBondContact CD1-O 3.3Å; I221-D233 HydrophobicContact CG2-CB 4.34Å; N229-D233 WeakPolarHBondContact CB-OD2 3.43Å; N229-D233 VanDerWaalsContact O-CG 3.31Å; N229-D233 PolarHBondContact O-N 2.66Å; L230-D233 WeakPolarHBondContact CA-OD2 3.29Å; L230-D233 PolarHBondContact N-OD2 3.09Å; L230-D233 WeakPolarHBondContact O-CB 3.4Å; L230-D233 PolarHBondContact O-N 2.82Å; D233-S235 PolarHBondContact O-N 3.01Å; D233-L236 WeakPolarHBondContact O-CB 3.47Å; D233-L236 PolarHBondContact O-N 2.99Å; D233-L237 PolarHBondContact O-N 3.07Å; D233-V243 HydrophobicContact CB-CG2 4.21Å |
| 234 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.8 | -35.7 | 175.8 | -63.4 | -178.1 | 0 | 0 | 0 | 112.6 | L230 S231 K232 L236 L237 V243 I254 D258 T259 K262 I266 | L230-L234 WeakPolarHBondContact O-CG 3.21Å; L230-L234 PolarHBondContact O-N 2.74Å; L230-L234 VanDerWaalsContact O-N 3.13Å; S231-L234 PolarHBondContact O-N 2.95Å; K232-L234 VanDerWaalsContact C-N 3.33Å; K232-L234 PolarHBondContact O-N 3.4Å; L234-L236 VanDerWaalsContact C-N 3.25Å; L234-L236 PolarHBondContact O-N 2.88Å; L234-L237 HydrophobicContact CD2-CD1 4.04Å; L234-L237 PolarHBondContact O-N 3.16Å; L234-V243 HydrophobicContact CD2-CG1 4.24Å; L234-I254 HydrophobicContact CD1-CB 4.46Å; L234-D258 HydrophobicContact CB-CB 3.89Å; L234-D258 HydrophobicContact CD1-CB 4.24Å; L234-T259 HydrophobicContact CD1-CG2 4.01Å; L234-T259 HydrophobicContact CD2-CG2 3.96Å; L234-K262 PolarHBondContact O-NZ 3.17Å; L234-I266 HydrophobicContact CD1-CD1 4.21Å; L234-I266 HydrophobicContact CD2-CD1 4.02Å; L234-I266 HydrophobicContact CD2-CG1 3.88Å |
| 235 | S | 98 | Very high | 98.6 | Very high | 40 Ų | 40 | 29 Ų | 29 | 28% | 0.28 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.3 | -24.1 | 176.3 | 85.5 | 0 | 0 | 0 | 0 | 113.3 | K210 S231 K232 D233 K262 | K210-S235 VanDerWaalsContact CE-OG 3.3Å; K210-S235 WeakPolarHBondContact CE-OG 3.48Å; K210-S235 PolarHBondContact NZ-OG 3.03Å; S231-S235 PolarHBondContact O-N 3.1Å; K232-S235 WeakPolarHBondContact O-CB 3.27Å; K232-S235 PolarHBondContact O-N 2.79Å; K232-S235 VanDerWaalsContact O-N 3.09Å; K232-S235 PolarHBondContact O-OG 2.76Å; D233-S235 PolarHBondContact O-N 3.01Å; S235-K262 VanDerWaalsContact C-NZ 3.3Å; S235-K262 PolarHBondContact O-NZ 2.78Å |
| 236 | L | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -89.5 | -20.8 | -179.3 | -67.4 | 175.4 | 0 | 0 | 0 | 114 | L153 I206 I209 K210 G217 I218 I221 K232 D233 L234 | L153-L236 HydrophobicContact CD2-CD1 3.89Å; I206-L236 HydrophobicContact CD1-CD1 4.04Å; I206-L236 HydrophobicContact CG2-CD2 4.2Å; I206-L236 HydrophobicContact CG2-CG 4.44Å; I209-L236 HydrophobicContact CB-CD2 4.23Å; I209-L236 HydrophobicContact CD1-CD1 4.48Å; I209-L236 HydrophobicContact CG2-CD1 4.09Å; I209-L236 HydrophobicContact CG2-CD2 3.82Å; K210-L236 HydrophobicContact CG-CD2 3.5Å; G217-L236 CarbonylContact C-O 3.44Å; G217-L236 VanDerWaalsContact CA-O 3.24Å; G217-L236 WeakPolarHBondContact CA-O 3.43Å; I218-L236 HydrophobicContact CD1-CB 4.35Å; I218-L236 PolarHBondContact N-O 3.43Å; I221-L236 HydrophobicContact CD1-CB 4.07Å; K232-L236 PolarHBondContact O-N 2.89Å; D233-L236 WeakPolarHBondContact O-CB 3.47Å; D233-L236 PolarHBondContact O-N 2.99Å; L234-L236 VanDerWaalsContact C-N 3.25Å; L234-L236 PolarHBondContact O-N 2.88Å |
| 237 | L | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 144.7 | -175.6 | -70.9 | 176.6 | 0 | 0 | 0 | 112.8 | I218 I221 D233 L234 V243 K262 | I218-L237 CarbonylContact O-C 3.6Å; I218-L237 WeakPolarHBondContact O-CA 3.29Å; I218-L237 WeakPolarHBondContact O-CD2 3.42Å; I221-L237 HydrophobicContact CB-CD2 4.47Å; I221-L237 HydrophobicContact CD1-CD2 3.61Å; I221-L237 HydrophobicContact CD1-CG 4.01Å; I221-L237 HydrophobicContact CG1-CD2 3.71Å; D233-L237 PolarHBondContact O-N 3.07Å; L234-L237 HydrophobicContact CD2-CD1 4.04Å; L234-L237 PolarHBondContact O-N 3.16Å; L237-V243 HydrophobicContact CD1-CB 4.42Å; L237-V243 HydrophobicContact CD1-CG1 4.38Å; L237-K262 HydrophobicContact CB-CD 4.48Å; L237-K262 WeakPolarHBondContact O-CD 3.03Å; L237-K262 VanDerWaalsContact O-CE 3.29Å; L237-K262 WeakPolarHBondContact O-CE 3.46Å; L237-K262 PolarHBondContact O-NZ 2.85Å |
| 238 | S | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 172.3 | 166.2 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | K216 I218 D219 G240 G241 | K216-S238 VanDerWaalsContact O-CA 3.23Å; K216-S238 WeakPolarHBondContact O-CA 3.22Å; K216-S238 WeakPolarHBondContact O-CB 3.43Å; I218-S238 PolarHBondContact O-N 2.79Å; I218-S238 PolarHBondContact O-OG 3.01Å; D219-S238 WeakPolarHBondContact CA-OG 3.49Å; D219-S238 PolarHBondContact OD1-OG 2.96Å; S238-G240 PolarHBondContact O-N 3.15Å; S238-G241 WeakPolarHBondContact O-CA 3.31Å; S238-G241 PolarHBondContact O-N 3.33Å |
| 239 | H | 98.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 32.6 Ų | 32.6 | 58% | 0.579 | 18% | 0.177 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 130.5 | 168.5 | -176.9 | 86.1 | 0 | 0 | 0 | 110.1 | G241 A261 K262 E263 | H239-G241 PolarHBondContact O-N 3.02Å; H239-A261 PolarHBondContact ND1-O 2.99Å; H239-K262 CarbonylContact C-O 3.58Å; H239-K262 WeakPolarHBondContact CA-O 3.38Å; H239-E263 IonicContact CE1-OE2 2.89Å; H239-E263 PolarHBondContact CE1-OE2 3.05Å; H239-E263 IonicContact NE2-OE2 3.74Å |
| 240 | G | 98.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 33.7 Ų | 33.7 | 43% | 0.433 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.1 | 5.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.4 | S238 K262 | S238-G240 PolarHBondContact O-N 3.15Å; G240-K262 PolarHBondContact N-O 2.99Å |
| 241 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 158.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D219 S238 H239 S264 S265 | D219-G241 VanDerWaalsContact O-CA 3.3Å; D219-G241 WeakPolarHBondContact O-CA 3.26Å; S238-G241 WeakPolarHBondContact O-CA 3.31Å; S238-G241 PolarHBondContact O-N 3.33Å; H239-G241 PolarHBondContact O-N 3.02Å; G241-S264 CarbonylContact O-C 3.5Å; G241-S264 WeakPolarHBondContact O-CA 3.5Å; G241-S264 WeakPolarHBondContact O-CB 3.45Å; G241-S265 PolarHBondContact O-N 2.86Å |
| 242 | R | 98.9 | Very high | 97.6 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 11% | 0.106 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 136.7 | -179.3 | 55.2 | -83.2 | -170.2 | -138.8 | 6.5 | 113.5 | A144 E150 D219 V220 I221 I244 S265 I267 | A144-R242 HydrophobicContact CB-CG 4.44Å; A144-R242 PolarHBondContact O-NE 3.05Å; A144-R242 PolarHBondContact O-NH2 3.34Å; E150-R242 IonicContact OE1-CZ 3.99Å; E150-R242 VanDerWaalsContact OE1-CZ 3.24Å; E150-R242 IonicContact OE1-NH1 3.12Å; E150-R242 PolarHBondContact OE1-NH1 3.33Å; E150-R242 IonicContact OE1-NH2 2.99Å; E150-R242 PolarHBondContact OE1-NH2 2.79Å; E150-R242 IonicContact OE2-CZ 2.94Å; E150-R242 IonicContact OE2-NH1 3.93Å; E150-R242 IonicContact OE2-NH2 2.71Å; E150-R242 PolarHBondContact OE2-NH2 2.88Å; D219-R242 WeakPolarHBondContact O-CD 3.42Å; D219-R242 PolarHBondContact O-N 3.4Å; D219-R242 PolarHBondContact O-NH1 3.04Å; V220-R242 CarbonylContact C-O 3.54Å; V220-R242 WeakPolarHBondContact CA-O 3.38Å; V220-R242 HydrophobicContact CG2-CG 4.37Å; V220-R242 VanDerWaalsContact CG2-NH1 3.34Å; I221-R242 PolarHBondContact N-O 2.89Å; R242-I244 HydrophobicContact CB-CD1 4.46Å; R242-I244 HydrophobicContact CG-CD1 4.25Å; R242-S265 VanDerWaalsContact CA-O 3.31Å; R242-S265 WeakPolarHBondContact CA-O 3.45Å; R242-I267 HydrophobicContact CB-CD1 4.33Å |
| 243 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.7 | 168.6 | 57.9 | 0 | 0 | 0 | 0 | 109.7 | I221 E223 L230 D233 L234 L237 S265 I266 I267 | I221-V243 HydrophobicContact CB-CB 4.12Å; I221-V243 HydrophobicContact CB-CG2 4Å; I221-V243 HydrophobicContact CG2-CG2 4.02Å; I221-V243 CarbonylContact O-C 3.49Å; I221-V243 WeakPolarHBondContact O-CA 3.49Å; E223-V243 HydrophobicContact CB-CG2 3.76Å; L230-V243 HydrophobicContact CD1-CG1 3.7Å; L230-V243 HydrophobicContact CD1-CG2 4.1Å; D233-V243 HydrophobicContact CB-CG2 4.21Å; L234-V243 HydrophobicContact CD2-CG1 4.24Å; L237-V243 HydrophobicContact CD1-CB 4.42Å; L237-V243 HydrophobicContact CD1-CG1 4.38Å; V243-S265 PolarHBondContact N-O 2.88Å; V243-I266 HydrophobicContact CG1-CB 4.14Å; V243-I266 HydrophobicContact CG1-CG1 3.81Å; V243-I266 HydrophobicContact CG1-CG2 4.13Å; V243-I267 PolarHBondContact O-N 2.94Å |
| 244 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 111.5 | 177.5 | -47.2 | -53.2 | 0 | 0 | 0 | 108.4 | A139 A144 I221 I222 E223 R242 V246 I267 V269 | A139-I244 HydrophobicContact CB-CG2 4.01Å; A144-I244 HydrophobicContact CB-CD1 3.95Å; A144-I244 HydrophobicContact CB-CG1 3.83Å; I221-I244 PolarHBondContact O-N 2.66Å; I222-I244 HydrophobicContact CD1-CB 4.02Å; I222-I244 HydrophobicContact CD1-CG1 3.91Å; E223-I244 PolarHBondContact N-O 2.97Å; R242-I244 HydrophobicContact CB-CD1 4.46Å; R242-I244 HydrophobicContact CG-CD1 4.25Å; I244-V246 HydrophobicContact CG2-CG2 4.4Å; I244-V246 PolarHBondContact O-N 3.43Å; I244-I267 CarbonylContact C-O 3.59Å; I244-I267 VanDerWaalsContact CA-O 3.3Å; I244-I267 WeakPolarHBondContact CA-O 3.44Å; I244-I267 HydrophobicContact CD1-CB 3.87Å; I244-I267 HydrophobicContact CD1-CD1 4.02Å; I244-I267 HydrophobicContact CD1-CG1 4.31Å; I244-I267 HydrophobicContact CD1-CG2 4.49Å; I244-V269 HydrophobicContact CG2-CB 4.01Å; I244-V269 HydrophobicContact CG2-CG1 3.61Å |
| 245 | V | 98.8 | Very high | 97.6 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 100 | 179.9 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | A226 L230 N248 I266 I267 V269 | A226-V245 HydrophobicContact CB-CG1 3.78Å; A226-V245 HydrophobicContact CB-CG2 4.23Å; L230-V245 HydrophobicContact CD1-CG2 4.39Å; V245-N248 HydrophobicContact CG1-CB 4.36Å; V245-I266 HydrophobicContact CG2-CG2 3.97Å; V245-I267 PolarHBondContact N-O 2.92Å; V245-V269 PolarHBondContact O-N 2.88Å; V245-V269 VanDerWaalsContact O-N 3.14Å |
| 246 | V | 98.2 | Very high | 97.6 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | trans | -91.4 | -40.2 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | T135 A139 V161 I222 E223 M224 I244 V269 | T135-V246 HydrophobicContact CG2-CG1 3.69Å; A139-V246 HydrophobicContact CB-CG2 4.05Å; V161-V246 HydrophobicContact CG1-CG1 4.28Å; I222-V246 HydrophobicContact CG2-CG2 3.71Å; E223-V246 WeakPolarHBondContact O-CB 3.46Å; E223-V246 PolarHBondContact O-N 3.26Å; M224-V246 HydrophobicContact CE-CB 4.49Å; M224-V246 HydrophobicContact CE-CG1 4.4Å; M224-V246 HydrophobicContact SD-CB 3.84Å; M224-V246 HydrophobicContact SD-CG1 3.7Å; M224-V246 HydrophobicContact SD-CG2 4.48Å; I244-V246 HydrophobicContact CG2-CG2 4.4Å; I244-V246 PolarHBondContact O-N 3.43Å; V246-V269 HydrophobicContact CB-CG1 4.34Å; V246-V269 HydrophobicContact CG2-CG1 3.73Å | ||
| 247 | G | 94.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | trans | -130.9 | 138.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E223 M224 L225 A226 | E223-G247 PolarHBondContact O-N 3.21Å; M224-G247 CarbonylContact C-O 3.58Å; M224-G247 CarbonylContact O-C 3.49Å; M224-G247 VanDerWaalsContact O-CA 3.29Å; M224-G247 WeakPolarHBondContact O-CA 3.34Å; L225-G247 PolarHBondContact N-O 3.49Å; A226-G247 PolarHBondContact N-O 3.48Å | ||
| 248 | N | 94.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 63 Ų | 63 | 43% | 0.428 | 34% | 0.337 | S | S | . | . | trans | -151 | 139.5 | 177.2 | -175.8 | 56.5 | 0 | 0 | 0 | 110.2 | A226 N227 V245 G250 | A226-N248 HydrophobicContact CB-CB 4.39Å; N227-N248 VanDerWaalsContact CB-OD1 3.26Å; N227-N248 WeakPolarHBondContact CB-OD1 3.34Å; N227-N248 PolarHBondContact N-OD1 2.76Å; N227-N248 VanDerWaalsContact N-OD1 3.07Å; V245-N248 HydrophobicContact CG1-CB 4.36Å; N248-G250 PolarHBondContact ND2-O 2.84Å; N248-G250 PolarHBondContact OD1-O 3.13Å | ||
| 249 | R | 91.1 | Very high | 97.6 | Very high | 113 Ų | 113 | 64.4 Ų | 64.4 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | trans | -129.3 | 9.8 | -179.2 | -61.4 | -179.4 | -179.6 | 166 | 1.5 | 113.7 | Y53 L225 N227 | Y53-R249 PolarHBondContact OH-NE 2.72Å; L225-R249 HydrophobicContact CD1-CB 4.44Å; L225-R249 HydrophobicContact CD1-CG 4.12Å; N227-R249 PolarHBondContact OD1-N 2.95Å | ||
| 250 | G | 93.1 | Very high | 97.6 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -178.4 | -161.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N248 | N248-G250 PolarHBondContact ND2-O 2.84Å; N248-G250 PolarHBondContact OD1-O 3.13Å |
| 251 | T | 97.2 | Very high | 97.5 | Very high | 137 Ų | 137 | 66.4 Ų | 66.4 | 84% | 0.84 | 36% | 0.36 | S | S | * | . | trans | -97.6 | 161.9 | 173.8 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 252 | I | 98.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 69 Ų | 69 | 29% | 0.292 | 37% | 0.371 | S | S | . | . | trans | -150 | 142.8 | 171.9 | -178.2 | 156.6 | 0 | 0 | 0 | 109.2 | L230 I254 | L230-I252 HydrophobicContact CB-CD1 4.44Å; L230-I252 HydrophobicContact CB-CG2 4.01Å; L230-I252 HydrophobicContact CD2-CG2 4.23Å; I252-I254 HydrophobicContact CG2-CG2 4.25Å | ||
| 253 | E | 98.6 | Very high | 97.5 | Very high | 182 Ų | 182 | 74.4 Ų | 74.4 | 85% | 0.85 | 40% | 0.398 | S | S | * | . | trans | -78.8 | 133.5 | 169.8 | -170.5 | 178.9 | 135.3 | 0 | 0 | 109.7 | ||||
| 254 | I | 98.8 | Very high | 97.5 | Very high | 60 Ų | 60 | 75 Ų | 75 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | trans | -131.6 | 157.3 | 176.4 | 63.6 | 170.5 | 0 | 0 | 0 | 109.6 | L230 L234 I252 P256 I266 | L230-I254 HydrophobicContact CB-CG2 4.36Å; L230-I254 HydrophobicContact CD2-CG2 4.12Å; L230-I254 HydrophobicContact CG-CG2 4.12Å; L234-I254 HydrophobicContact CD1-CB 4.46Å; I252-I254 HydrophobicContact CG2-CG2 4.25Å; I254-P256 WeakPolarHBondContact O-CD 3.4Å; I254-I266 HydrophobicContact CD1-CD1 4.09Å | ||
| 255 | N | 98.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 77.7 Ų | 77.7 | 42% | 0.422 | 42% | 0.42 | S | S | . | . | trans | -103.5 | 107.6 | 169.8 | -175.6 | -3.2 | 0 | 0 | 0 | 109.5 | R257 D258 | N255-R257 PolarHBondContact O-N 3.15Å; N255-R257 WeakPolarHBondContact OD1-CB 3.38Å; N255-R257 PolarHBondContact OD1-N 3.08Å; N255-D258 WeakPolarHBondContact O-CB 3.46Å; N255-D258 PolarHBondContact O-N 3.19Å | ||
| 256 | P | 98.6 | Very high | 97.5 | Very high | 85 Ų | 85 | 79.6 Ų | 79.6 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.6 | 178.1 | -26 | 35.7 | 0 | 0 | 0 | 113.9 | I254 D258 T259 | I254-P256 WeakPolarHBondContact O-CD 3.4Å; P256-D258 PolarHBondContact O-N 3.41Å; P256-T259 PolarHBondContact O-N 3.36Å; P256-T259 VanDerWaalsContact O-N 3.12Å; P256-T259 PolarHBondContact O-OG1 2.73Å |
| 257 | R | 98.5 | Very high | 97.5 | Very high | 166 Ų | 166 | 80.6 Ų | 80.6 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.9 | -28.9 | 173.9 | -172.4 | 171.6 | -66 | -76.5 | -1.8 | 112.7 | N255 T259 M260 | N255-R257 PolarHBondContact O-N 3.15Å; N255-R257 WeakPolarHBondContact OD1-CB 3.38Å; N255-R257 PolarHBondContact OD1-N 3.08Å; R257-T259 PolarHBondContact O-N 3.07Å; R257-M260 HydrophobicContact CB-SD 4.38Å; R257-M260 HydrophobicContact CG-SD 4.36Å; R257-M260 PolarHBondContact O-N 3.46Å; R257-M260 VanDerWaalsContact O-N 3.11Å |
| 258 | D | 98.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 82.8 Ų | 82.8 | 28% | 0.278 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.9 | -20.7 | 179.6 | -61.5 | -16.5 | 0 | 0 | 0 | 112 | L234 N255 P256 | L234-D258 HydrophobicContact CB-CB 3.89Å; L234-D258 HydrophobicContact CD1-CB 4.24Å; N255-D258 WeakPolarHBondContact O-CB 3.46Å; N255-D258 PolarHBondContact O-N 3.19Å; P256-D258 PolarHBondContact O-N 3.41Å |
| 259 | T | 98.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 80 Ų | 80 | 22% | 0.221 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -88.1 | -22.7 | 175.6 | 71.9 | 0 | 0 | 0 | 0 | 113.8 | L234 P256 R257 E263 S264 | L234-T259 HydrophobicContact CD1-CG2 4.01Å; L234-T259 HydrophobicContact CD2-CG2 3.96Å; P256-T259 PolarHBondContact O-N 3.36Å; P256-T259 VanDerWaalsContact O-N 3.12Å; P256-T259 PolarHBondContact O-OG1 2.73Å; R257-T259 PolarHBondContact O-N 3.07Å; T259-E263 VanDerWaalsContact O-CA 3.27Å; T259-E263 WeakPolarHBondContact O-CA 3.44Å; T259-E263 PolarHBondContact O-N 2.99Å; T259-S264 VanDerWaalsContact CA-OG 3.31Å; T259-S264 WeakPolarHBondContact CA-OG 3.4Å; T259-S264 WeakPolarHBondContact CB-OG 3.46Å; T259-S264 PolarHBondContact O-N 2.93Å |
| 260 | M | 98.7 | Very high | 98 | Very high | 118 Ų | 118 | 77.4 Ų | 77.4 | 58% | 0.581 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.3 | -56 | -167 | -64.5 | 172.4 | 64.8 | 0 | 0 | 112.7 | R257 K262 E263 | R257-M260 HydrophobicContact CB-SD 4.38Å; R257-M260 HydrophobicContact CG-SD 4.36Å; R257-M260 PolarHBondContact O-N 3.46Å; R257-M260 VanDerWaalsContact O-N 3.11Å; M260-K262 VanDerWaalsContact C-N 3.26Å; M260-K262 PolarHBondContact O-N 3.38Å; M260-E263 PolarHBondContact O-N 3.12Å |
| 261 | A | 97.7 | Very high | 98.1 | Very high | 90 Ų | 90 | 76.1 Ų | 76.1 | 74% | 0.744 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -28.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H239 | H239-A261 PolarHBondContact ND1-O 2.99Š|
| 262 | K | 98.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 74.8 Ų | 74.8 | 24% | 0.239 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -9.6 | 177.6 | -64.1 | 177.4 | 178 | -167.6 | 0 | 112.5 | L234 S235 L237 H239 G240 M260 S264 | L234-K262 PolarHBondContact O-NZ 3.17Å; S235-K262 VanDerWaalsContact C-NZ 3.3Å; S235-K262 PolarHBondContact O-NZ 2.78Å; L237-K262 HydrophobicContact CB-CD 4.48Å; L237-K262 WeakPolarHBondContact O-CD 3.03Å; L237-K262 VanDerWaalsContact O-CE 3.29Å; L237-K262 WeakPolarHBondContact O-CE 3.46Å; L237-K262 PolarHBondContact O-NZ 2.85Å; H239-K262 CarbonylContact C-O 3.58Å; H239-K262 WeakPolarHBondContact CA-O 3.38Å; G240-K262 PolarHBondContact N-O 2.99Å; M260-K262 VanDerWaalsContact C-N 3.26Å; M260-K262 PolarHBondContact O-N 3.38Å; K262-S264 PolarHBondContact O-N 3.04Å; K262-S264 VanDerWaalsContact O-N 3.11Å |
| 263 | E | 98.7 | Very high | 97.6 | Very high | 142 Ų | 142 | 75.8 Ų | 75.8 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 39 | -170.8 | -57.6 | -170.7 | 133.9 | 0 | 0 | 112.2 | H239 T259 M260 | H239-E263 IonicContact CE1-OE2 2.89Å; H239-E263 PolarHBondContact CE1-OE2 3.05Å; H239-E263 IonicContact NE2-OE2 3.74Å; T259-E263 VanDerWaalsContact O-CA 3.27Å; T259-E263 WeakPolarHBondContact O-CA 3.44Å; T259-E263 PolarHBondContact O-N 2.99Å; M260-E263 PolarHBondContact O-N 3.12Å |
| 264 | S | 98.9 | Very high | 97.5 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 8% | 0.077 | 38% | 0.382 | C | S | . | . | trans | -87.1 | 154.6 | -170.5 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | G241 T259 K262 | G241-S264 CarbonylContact O-C 3.5Å; G241-S264 WeakPolarHBondContact O-CA 3.5Å; G241-S264 WeakPolarHBondContact O-CB 3.45Å; T259-S264 VanDerWaalsContact CA-OG 3.31Å; T259-S264 WeakPolarHBondContact CA-OG 3.4Å; T259-S264 WeakPolarHBondContact CB-OG 3.46Å; T259-S264 PolarHBondContact O-N 2.93Å; K262-S264 PolarHBondContact O-N 3.04Å; K262-S264 VanDerWaalsContact O-N 3.11Å | ||
| 265 | S | 98.9 | Very high | 97.4 | Very high | 57 Ų | 57 | 68.2 Ų | 68.2 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.2 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | G241 R242 V243 | G241-S265 PolarHBondContact O-N 2.86Å; R242-S265 VanDerWaalsContact CA-O 3.31Å; R242-S265 WeakPolarHBondContact CA-O 3.45Å; V243-S265 PolarHBondContact N-O 2.88Å |
| 266 | I | 98.9 | Very high | 97.2 | Very high | 69 Ų | 69 | 71.2 Ų | 71.2 | 35% | 0.354 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.6 | 165.6 | -54.4 | 174.4 | 0 | 0 | 0 | 107.3 | L230 L234 V243 V245 I254 | L230-I266 HydrophobicContact CD1-CD1 4.39Å; L230-I266 HydrophobicContact CD1-CG2 4.12Å; L230-I266 HydrophobicContact CD2-CD1 4.38Å; L230-I266 HydrophobicContact CD2-CG2 4.45Å; L234-I266 HydrophobicContact CD1-CD1 4.21Å; L234-I266 HydrophobicContact CD2-CD1 4.02Å; L234-I266 HydrophobicContact CD2-CG1 3.88Å; V243-I266 HydrophobicContact CG1-CB 4.14Å; V243-I266 HydrophobicContact CG1-CG1 3.81Å; V243-I266 HydrophobicContact CG1-CG2 4.13Å; V245-I266 HydrophobicContact CG2-CG2 3.97Å; I254-I266 HydrophobicContact CD1-CD1 4.09Å |
| 267 | I | 98.9 | Very high | 97.1 | Very high | 55 Ų | 55 | 73 Ų | 73 | 28% | 0.282 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 118.7 | -171.6 | -50.5 | 176.9 | 0 | 0 | 0 | 109.7 | R242 V243 I244 V245 | R242-I267 HydrophobicContact CB-CD1 4.33Å; V243-I267 PolarHBondContact O-N 2.94Å; I244-I267 CarbonylContact C-O 3.59Å; I244-I267 VanDerWaalsContact CA-O 3.3Å; I244-I267 WeakPolarHBondContact CA-O 3.44Å; I244-I267 HydrophobicContact CD1-CB 3.87Å; I244-I267 HydrophobicContact CD1-CD1 4.02Å; I244-I267 HydrophobicContact CD1-CG1 4.31Å; I244-I267 HydrophobicContact CD1-CG2 4.49Å; V245-I267 PolarHBondContact N-O 2.92Å |
| 268 | G | 98.4 | Very high | 97 | Very high | 60 Ų | 60 | 66.8 Ų | 66.8 | 62% | 0.619 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 146.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 269 | V | 97.3 | Very high | 97 | Very high | 22 Ų | 22 | 66 Ų | 66 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | trans | -134.1 | 138.3 | 172.1 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | R138 A139 S143 I244 V245 V246 | R138-V269 HydrophobicContact CB-CG2 4.31Å; R138-V269 HydrophobicContact CG-CG2 3.67Å; A139-V269 HydrophobicContact CB-CG1 4.26Å; S143-V269 WeakPolarHBondContact OG-CG2 3.47Å; I244-V269 HydrophobicContact CG2-CB 4.01Å; I244-V269 HydrophobicContact CG2-CG1 3.61Å; V245-V269 PolarHBondContact O-N 2.88Å; V245-V269 VanDerWaalsContact O-N 3.14Å; V246-V269 HydrophobicContact CB-CG1 4.34Å; V246-V269 HydrophobicContact CG2-CG1 3.73Å | ||
| 270 | T | 94.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | trans | -134.9 | 130.7 | 166.5 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | R138 F272 S273 | R138-T270 PolarHBondContact NE-O 3.39Å; T270-F272 VanDerWaalsContact C-N 3.25Å; T270-F272 PolarHBondContact O-N 3.4Å; T270-S273 WeakPolarHBondContact CG2-OG 3.28Å; T270-S273 PolarHBondContact O-N 3.29Å | ||
| 271 | L | 95.5 | Very high | 96.8 | Very high | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -60.6 | -37.5 | -176.5 | 174.5 | 57.8 | 0 | 0 | 0 | 111.6 | I131 F134 S273 S274 F279 | I131-L271 HydrophobicContact CD1-CD2 3.76Å; F134-L271 HydrophobicContact CB-CD1 3.69Å; F134-L271 HydrophobicContact CB-CD2 3.65Å; F134-L271 HydrophobicContact CB-CG 4.34Å; L271-S273 PolarHBondContact O-N 2.92Å; L271-S274 VanDerWaalsContact O-CB 3.29Å; L271-S274 WeakPolarHBondContact O-CB 3.3Å; L271-S274 PolarHBondContact O-N 3.33Å; L271-S274 PolarHBondContact O-OG 3.25Å; L271-F279 HydrophobicContact CD1-CE1 3.96Å; L271-F279 HydrophobicContact CD1-CZ 3.83Å; L271-F279 HydrophobicContact CD2-CE1 4.44Å; L271-F279 HydrophobicContact CD2-CZ 4.41Å; L271-F279 HydrophobicContact CG-CE1 4.23Å; L271-F279 HydrophobicContact CG-CZ 3.85Å |
| 272 | F | 91.2 | Very high | 96.8 | Very high | 109 Ų | 109 | 66.5 Ų | 66.5 | 48% | 0.478 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -77.2 | -0.6 | -176.4 | -61.9 | -69.7 | 0 | 0 | 0 | 114.5 | I131 T270 | I131-F272 HydrophobicContact CD1-CE1 4.42Å; I131-F272 HydrophobicContact CD1-CE2 4.1Å; I131-F272 HydrophobicContact CD1-CZ 3.62Å; T270-F272 VanDerWaalsContact C-N 3.25Å; T270-F272 PolarHBondContact O-N 3.4Å |
| 273 | S | 94.3 | Very high | 96.8 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -82 | -2 | 164.4 | -72.6 | 0 | 0 | 0 | 0 | 112.8 | T270 L271 | T270-S273 WeakPolarHBondContact CG2-OG 3.28Å; T270-S273 PolarHBondContact O-N 3.29Å; L271-S273 PolarHBondContact O-N 2.92Å |
| 274 | S | 96.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | trans | -70.4 | 141.8 | 179.2 | -47.3 | 0 | 0 | 0 | 0 | 111.4 | R138 L271 E278 | R138-S274 WeakPolarHBondContact CD-OG 3.45Å; R138-S274 PolarHBondContact NH1-OG 3.22Å; L271-S274 VanDerWaalsContact O-CB 3.29Å; L271-S274 WeakPolarHBondContact O-CB 3.3Å; L271-S274 PolarHBondContact O-N 3.33Å; L271-S274 PolarHBondContact O-OG 3.25Å; S274-E278 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 275 | T | 96.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | trans | -72.7 | 170.1 | 169.7 | 81.2 | 0 | 0 | 0 | 0 | 110.9 | E277 E278 F279 | T275-E277 VanDerWaalsContact C-N 3.25Å; T275-E277 WeakPolarHBondContact CB-OE2 3.48Å; T275-E277 PolarHBondContact O-N 3.05Å; T275-E277 PolarHBondContact OG1-N 2.89Å; T275-E277 PolarHBondContact OG1-OE2 2.95Å; T275-E278 PolarHBondContact N-OE2 3.4Å; T275-E278 VanDerWaalsContact N-OE2 3.07Å; T275-E278 PolarHBondContact O-N 3.38Å; T275-E278 PolarHBondContact OG1-N 2.86Å; T275-F279 PolarHBondContact O-N 2.81Å | ||
| 276 | K | 94.3 | Very high | 96.7 | Very high | 142 Ų | 142 | 59.1 Ų | 59.1 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.9 | -39.7 | 175.4 | -72.1 | -174.4 | 176.8 | -178.4 | 0 | 111.2 | F279 Q280 | K276-F279 PolarHBondContact O-N 2.82Å; K276-Q280 WeakPolarHBondContact O-CG 3.46Å; K276-Q280 PolarHBondContact O-N 2.85Å |
| 277 | E | 95.7 | Very high | 96.7 | Very high | 123 Ų | 123 | 58.5 Ų | 58.5 | 58% | 0.575 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | -179.9 | -57 | 68.8 | -144.9 | 0 | 0 | 110.6 | T275 Q280 Q281 | T275-E277 VanDerWaalsContact C-N 3.25Å; T275-E277 WeakPolarHBondContact CB-OE2 3.48Å; T275-E277 PolarHBondContact O-N 3.05Å; T275-E277 PolarHBondContact OG1-N 2.89Å; T275-E277 PolarHBondContact OG1-OE2 2.95Å; E277-Q280 PolarHBondContact O-N 2.91Å; E277-Q281 PolarHBondContact O-N 3.06Å |
| 278 | E | 97.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.2 | -70.2 | -176.7 | 140.9 | 0 | 0 | 111.8 | R138 H142 S274 T275 Q280 Q281 Y282 | R138-E278 IonicContact CZ-OE2 2.81Å; R138-E278 IonicContact NH1-OE1 2.76Å; R138-E278 IonicContact NH1-OE2 3.27Å; R138-E278 PolarHBondContact NH1-OE2 2.86Å; R138-E278 IonicContact NH2-OE2 2.82Å; H142-E278 IonicContact CE1-OE1 3.59Å; H142-E278 PolarHBondContact CE1-OE1 2.86Å; H142-E278 IonicContact ND1-OE1 2.73Å; H142-E278 PolarHBondContact ND1-OE1 3.47Å; S274-E278 WeakPolarHBondContact CA-OE2 3.44Å; T275-E278 PolarHBondContact N-OE2 3.4Å; T275-E278 VanDerWaalsContact N-OE2 3.07Å; T275-E278 PolarHBondContact O-N 3.38Å; T275-E278 PolarHBondContact OG1-N 2.86Å; E278-Q280 VanDerWaalsContact C-N 3.33Å; E278-Q280 PolarHBondContact O-N 2.85Å; E278-Q281 WeakPolarHBondContact O-CB 3.36Å; E278-Q281 PolarHBondContact O-N 3.25Å; E278-Y282 HydrophobicContact CB-CE2 3.99Å; E278-Y282 WeakPolarHBondContact O-CD1 3.45Å; E278-Y282 WeakPolarHBondContact O-CD2 3.46Å; E278-Y282 PolarHBondContact O-N 2.98Å |
| 279 | F | 97.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 173.9 | -97.4 | -75.2 | 0 | 0 | 0 | 112.2 | F134 L271 T275 K276 Y282 A283 | F134-F279 AromaticContact CD1-CD1 3.66Å; F134-F279 HydrophobicContact CD1-CD1 3.66Å; F134-F279 AromaticContact CD1-CE1 3.86Å; F134-F279 HydrophobicContact CD1-CE1 3.86Å; F134-F279 AromaticContact CE1-CD1 3.8Å; F134-F279 HydrophobicContact CE1-CD1 3.8Å; F134-F279 HydrophobicContact CE1-CE1 4.36Å; L271-F279 HydrophobicContact CD1-CE1 3.96Å; L271-F279 HydrophobicContact CD1-CZ 3.83Å; L271-F279 HydrophobicContact CD2-CE1 4.44Å; L271-F279 HydrophobicContact CD2-CZ 4.41Å; L271-F279 HydrophobicContact CG-CE1 4.23Å; L271-F279 HydrophobicContact CG-CZ 3.85Å; T275-F279 PolarHBondContact O-N 2.81Å; K276-F279 PolarHBondContact O-N 2.82Å; F279-Y282 PolarHBondContact O-N 3.36Å; F279-A283 VanDerWaalsContact O-CB 3.29Å; F279-A283 WeakPolarHBondContact O-CB 3.4Å; F279-A283 PolarHBondContact O-N 2.63Å |
| 280 | Q | 95.9 | Very high | 96.7 | Very high | 136 Ų | 136 | 54.2 Ų | 54.2 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 175.8 | -72.4 | 171.4 | -8.7 | 0 | 0 | 111.7 | K276 E277 E278 A283 A284 | K276-Q280 WeakPolarHBondContact O-CG 3.46Å; K276-Q280 PolarHBondContact O-N 2.85Å; E277-Q280 PolarHBondContact O-N 2.91Å; E278-Q280 VanDerWaalsContact C-N 3.33Å; E278-Q280 PolarHBondContact O-N 2.85Å; Q280-A283 PolarHBondContact O-N 3.21Å; Q280-A284 WeakPolarHBondContact O-CB 3.21Å; Q280-A284 PolarHBondContact O-N 2.66Å |
| 281 | Q | 97.5 | Very high | 96.9 | Very high | 117 Ų | 117 | 58.4 Ų | 58.4 | 55% | 0.547 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.8 | -176.3 | -174 | -2.6 | 0 | 0 | 111.5 | E277 E278 A284 A285 | E277-Q281 PolarHBondContact O-N 3.06Å; E278-Q281 WeakPolarHBondContact O-CB 3.36Å; E278-Q281 PolarHBondContact O-N 3.25Å; Q281-A284 PolarHBondContact O-N 3Å; Q281-A285 PolarHBondContact O-N 3.11Å; Q281-A285 VanDerWaalsContact O-N 3.1Å |
| 282 | Y | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -44 | 177.9 | -53.9 | -27.7 | 0 | 0 | 0 | 111 | F134 C137 R138 H142 E278 F279 A284 A285 L286 | F134-Y282 HydrophobicContact CD1-CD2 4.3Å; C137-Y282 HydrophobicContact CB-CD1 4.26Å; C137-Y282 HydrophobicContact CB-CG 4.29Å; R138-Y282 HydrophobicContact CB-CE2 3.97Å; R138-Y282 HydrophobicContact CG-CE2 4.28Å; R138-Y282 PolarHBondContact NH1-OH 3.16Å; H142-Y282 WeakPolarHBondContact CB-OH 3.36Å; E278-Y282 HydrophobicContact CB-CE2 3.99Å; E278-Y282 WeakPolarHBondContact O-CD1 3.45Å; E278-Y282 WeakPolarHBondContact O-CD2 3.46Å; E278-Y282 PolarHBondContact O-N 2.98Å; F279-Y282 PolarHBondContact O-N 3.36Å; Y282-A284 VanDerWaalsContact C-N 3.32Å; Y282-A284 PolarHBondContact O-N 3.45Å; Y282-A285 PolarHBondContact O-N 3.39Å; Y282-L286 WeakPolarHBondContact O-CB 3.14Å; Y282-L286 VanDerWaalsContact O-CG 3.22Å; Y282-L286 WeakPolarHBondContact O-CG 3.36Å; Y282-L286 PolarHBondContact O-N 3.19Å |
| 283 | A | 98.2 | Very high | 97.3 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 11% | 0.107 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y115 F134 F279 Q280 L286 Q287 | Y115-A283 HydrophobicContact CD1-CB 3.72Å; Y115-A283 HydrophobicContact CE1-CB 3.49Å; Y115-A283 VanDerWaalsContact CE1-CB 3.49Å; F134-A283 HydrophobicContact CE1-CB 4.02Å; F134-A283 HydrophobicContact CZ-CB 3.9Å; F279-A283 VanDerWaalsContact O-CB 3.29Å; F279-A283 WeakPolarHBondContact O-CB 3.4Å; F279-A283 PolarHBondContact O-N 2.63Å; Q280-A283 PolarHBondContact O-N 3.21Å; A283-L286 PolarHBondContact O-N 3.19Å; A283-Q287 WeakPolarHBondContact O-CB 3.27Å; A283-Q287 WeakPolarHBondContact O-CG 3.25Å; A283-Q287 PolarHBondContact O-N 3.16Å |
| 284 | A | 98 | Very high | 97.5 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 51% | 0.512 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q280 Q281 Y282 L286 Q287 A288 | Q280-A284 WeakPolarHBondContact O-CB 3.21Å; Q280-A284 PolarHBondContact O-N 2.66Å; Q281-A284 PolarHBondContact O-N 3Å; Y282-A284 VanDerWaalsContact C-N 3.32Å; Y282-A284 PolarHBondContact O-N 3.45Å; A284-L286 PolarHBondContact O-N 2.86Å; A284-Q287 PolarHBondContact O-N 3.11Å; A284-A288 PolarHBondContact O-N 2.79Å |
| 285 | A | 97.9 | Very high | 97.6 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q281 Y282 G289 | Q281-A285 PolarHBondContact O-N 3.11Å; Q281-A285 VanDerWaalsContact O-N 3.1Å; Y282-A285 PolarHBondContact O-N 3.39Å; A285-G289 PolarHBondContact O-N 2.98Å |
| 286 | L | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.1 | -37.8 | 178.6 | -64.6 | 176.3 | 0 | 0 | 0 | 112.1 | Y133 F134 C137 Y282 A283 A284 G289 M290 W294 L295 | Y133-L286 HydrophobicContact CD1-CD2 4.14Å; Y133-L286 HydrophobicContact CG-CD2 4.43Å; F134-L286 HydrophobicContact CD1-CD1 4.35Å; F134-L286 HydrophobicContact CD2-CD1 3.41Å; F134-L286 VanDerWaalsContact CD2-CD1 3.41Å; F134-L286 HydrophobicContact CE1-CD1 4.37Å; F134-L286 HydrophobicContact CE2-CD1 3.46Å; F134-L286 VanDerWaalsContact CE2-CD1 3.46Å; F134-L286 HydrophobicContact CG-CD1 3.9Å; F134-L286 HydrophobicContact CZ-CD1 3.96Å; C137-L286 WeakPolarHBondContact SG-CD2 3.2Å; Y282-L286 WeakPolarHBondContact O-CB 3.14Å; Y282-L286 VanDerWaalsContact O-CG 3.22Å; Y282-L286 WeakPolarHBondContact O-CG 3.36Å; Y282-L286 PolarHBondContact O-N 3.19Å; A283-L286 PolarHBondContact O-N 3.19Å; A284-L286 PolarHBondContact O-N 2.86Å; L286-G289 PolarHBondContact O-N 3.24Å; L286-M290 WeakPolarHBondContact O-CG 3.37Å; L286-M290 PolarHBondContact O-N 2.87Å; L286-W294 HydrophobicContact CD2-CH2 4.26Å; L286-L295 HydrophobicContact CB-CD1 3.89Å; L286-L295 HydrophobicContact CD2-CD1 3.53Å; L286-L295 HydrophobicContact CG-CD1 4.28Å |
| 287 | Q | 98.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 173 | -74.4 | -68.4 | -12.2 | 0 | 0 | 111.3 | K116 A283 A284 G289 M290 E291 | K116-Q287 PolarHBondContact O-NE2 2.85Å; A283-Q287 WeakPolarHBondContact O-CB 3.27Å; A283-Q287 WeakPolarHBondContact O-CG 3.25Å; A283-Q287 PolarHBondContact O-N 3.16Å; A284-Q287 PolarHBondContact O-N 3.11Å; Q287-G289 VanDerWaalsContact C-N 3.26Å; Q287-G289 PolarHBondContact O-N 3.37Å; Q287-M290 HydrophobicContact CB-CE 4.44Å; Q287-M290 HydrophobicContact CG-CE 4.11Å; Q287-M290 PolarHBondContact O-N 3.34Å; Q287-M290 VanDerWaalsContact OE1-CE 3.23Å; Q287-E291 WeakPolarHBondContact O-CB 3.34Å; Q287-E291 PolarHBondContact O-N 3.34Å |
| 288 | A | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A284 E291 I292 | A284-A288 PolarHBondContact O-N 2.79Å; A288-E291 PolarHBondContact O-N 3.19Å; A288-I292 WeakPolarHBondContact O-CG1 3.25Å; A288-I292 PolarHBondContact O-N 2.87Å |
| 289 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A285 L286 Q287 G293 W294 L295 | A285-G289 PolarHBondContact O-N 2.98Å; L286-G289 PolarHBondContact O-N 3.24Å; Q287-G289 VanDerWaalsContact C-N 3.26Å; Q287-G289 PolarHBondContact O-N 3.37Å; G289-G293 PolarHBondContact O-N 2.78Å; G289-W294 PolarHBondContact O-N 3.23Å; G289-W294 VanDerWaalsContact O-N 3.17Å; G289-L295 VanDerWaalsContact C-CB 3.45Å; G289-L295 PolarHBondContact O-N 2.95Å; G289-L295 VanDerWaalsContact O-N 3.07Å |
| 290 | M | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 170.5 | -69.3 | -176.1 | -71.8 | 0 | 0 | 109.6 | F94 P118 K120 L121 I129 L286 Q287 G293 L295 | F94-M290 HydrophobicContact CE1-CE 3.94Å; F94-M290 HydrophobicContact CE1-SD 4.35Å; F94-M290 HydrophobicContact CZ-CE 4.24Å; P118-M290 HydrophobicContact CG-CB 3.95Å; P118-M290 HydrophobicContact CG-CE 4.19Å; P118-M290 HydrophobicContact CG-SD 4.09Å; K120-M290 WeakPolarHBondContact CE-O 3.3Å; K120-M290 PolarHBondContact NZ-O 3.4Å; L121-M290 HydrophobicContact CD1-CB 4.2Å; L121-M290 HydrophobicContact CD1-CG 3.72Å; L121-M290 HydrophobicContact CD1-SD 3.54Å; L121-M290 VanDerWaalsContact CD1-SD 3.54Å; I129-M290 HydrophobicContact CD1-SD 3.58Å; I129-M290 VanDerWaalsContact CD1-SD 3.58Å; L286-M290 WeakPolarHBondContact O-CG 3.37Å; L286-M290 PolarHBondContact O-N 2.87Å; Q287-M290 HydrophobicContact CB-CE 4.44Å; Q287-M290 HydrophobicContact CG-CE 4.11Å; Q287-M290 PolarHBondContact O-N 3.34Å; Q287-M290 VanDerWaalsContact OE1-CE 3.23Å; M290-G293 WeakPolarHBondContact O-CA 3.41Å; M290-G293 PolarHBondContact O-N 3.12Å; M290-G293 VanDerWaalsContact O-N 3.14Å; M290-L295 HydrophobicContact CG-CB 4.06Å; M290-L295 HydrophobicContact CG-CD1 3.91Å; M290-L295 HydrophobicContact CG-CD2 3.91Å; M290-L295 HydrophobicContact CG-CG 4.15Å |
| 291 | E | 97.3 | Very high | 98.2 | Very high | 146 Ų | 146 | 45.4 Ų | 45.4 | 68% | 0.682 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.6 | -48 | -177 | -174.1 | 175.9 | -172.6 | 0 | 0 | 113.2 | K120 Q287 A288 G293 | K120-E291 VanDerWaalsContact NZ-C 3.31Å; K120-E291 PolarHBondContact NZ-O 3.28Å; Q287-E291 WeakPolarHBondContact O-CB 3.34Å; Q287-E291 PolarHBondContact O-N 3.34Å; A288-E291 PolarHBondContact O-N 3.19Å; E291-G293 VanDerWaalsContact C-N 3.28Å; E291-G293 PolarHBondContact O-N 2.73Å |
| 292 | I | 97.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 43.9 Ų | 43.9 | 67% | 0.667 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -80.2 | -13 | 177.4 | 72.7 | -174.8 | 0 | 0 | 0 | 112.8 | A288 W294 | A288-I292 WeakPolarHBondContact O-CG1 3.25Å; A288-I292 PolarHBondContact O-N 2.87Å; I292-W294 VanDerWaalsContact CD1-CD1 3.47Å; I292-W294 VanDerWaalsContact CG1-CD1 3.5Å |
| 293 | G | 97.8 | Very high | 98.2 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 14.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G289 M290 E291 K296 | G289-G293 PolarHBondContact O-N 2.78Å; M290-G293 WeakPolarHBondContact O-CA 3.41Å; M290-G293 PolarHBondContact O-N 3.12Å; M290-G293 VanDerWaalsContact O-N 3.14Å; E291-G293 VanDerWaalsContact C-N 3.28Å; E291-G293 PolarHBondContact O-N 2.73Å; G293-K296 WeakPolarHBondContact O-CE 3.37Å |
| 294 | W | 98.2 | Very high | 98.3 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | trans | -77.7 | -28.5 | 167.8 | 67.2 | -108.2 | 0 | 0 | 0 | 111.7 | Q167 I168 A171 L286 G289 I292 K296 | Q167-W294 HydrophobicContact CB-CE3 4.08Å; Q167-W294 HydrophobicContact CB-CZ3 4.27Å; Q167-W294 PolarHBondContact OE1-O 2.96Å; I168-W294 HydrophobicContact CB-CZ3 4.39Å; I168-W294 HydrophobicContact CG1-CH2 3.63Å; I168-W294 HydrophobicContact CG1-CZ3 3.6Å; A171-W294 HydrophobicContact CB-CB 4.42Å; A171-W294 HydrophobicContact CB-CD2 3.64Å; A171-W294 HydrophobicContact CB-CE3 4.12Å; A171-W294 HydrophobicContact CB-CG 3.76Å; A171-W294 HydrophobicContact CB-CZ2 4.46Å; L286-W294 HydrophobicContact CD2-CH2 4.26Å; G289-W294 PolarHBondContact O-N 3.23Å; G289-W294 VanDerWaalsContact O-N 3.17Å; I292-W294 VanDerWaalsContact CD1-CD1 3.47Å; I292-W294 VanDerWaalsContact CG1-CD1 3.5Å; W294-K296 PolarHBondContact O-N 2.72Å | ||
| 295 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -83.2 | 101.6 | 175.8 | -161.7 | 168.8 | 0 | 0 | 0 | 108.9 | Y133 L286 G289 M290 P297 | Y133-L295 HydrophobicContact CD1-CD1 3.67Å; Y133-L295 HydrophobicContact CD1-CD2 3.99Å; Y133-L295 HydrophobicContact CD1-CG 3.64Å; Y133-L295 HydrophobicContact CE1-CD1 4Å; Y133-L295 HydrophobicContact CE1-CD2 3.59Å; Y133-L295 HydrophobicContact CE1-CG 3.4Å; Y133-L295 HydrophobicContact CE2-CD2 4.16Å; Y133-L295 HydrophobicContact CG-CD1 4.26Å; Y133-L295 HydrophobicContact CG-CD2 4.45Å; Y133-L295 HydrophobicContact CG-CG 4.45Å; L286-L295 HydrophobicContact CB-CD1 3.89Å; L286-L295 HydrophobicContact CD2-CD1 3.53Å; L286-L295 HydrophobicContact CG-CD1 4.28Å; G289-L295 VanDerWaalsContact C-CB 3.45Å; G289-L295 PolarHBondContact O-N 2.95Å; G289-L295 VanDerWaalsContact O-N 3.07Å; M290-L295 HydrophobicContact CG-CB 4.06Å; M290-L295 HydrophobicContact CG-CD1 3.91Å; M290-L295 HydrophobicContact CG-CD2 3.91Å; M290-L295 HydrophobicContact CG-CG 4.15Å; L295-P297 HydrophobicContact CD2-CG 3.69Å | ||
| 296 | K | 98.3 | Very high | 98.3 | Very high | 127 Ų | 127 | 47.5 Ų | 47.5 | 55% | 0.552 | 25% | 0.25 | S | S | * | . | trans | -131.1 | 94.6 | 178.5 | -69 | -177.3 | 177.6 | 172.9 | 0 | 109.2 | Q167 G293 W294 V298 | Q167-K296 PolarHBondContact NE2-O 2.87Å; Q167-K296 VanDerWaalsContact OE1-N 3.12Å; G293-K296 WeakPolarHBondContact O-CE 3.37Å; W294-K296 PolarHBondContact O-N 2.72Å; K296-V298 PolarHBondContact O-N 3.47Å | ||
| 297 | P | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 135.1 | -177.4 | -21.3 | 33.5 | 0 | 0 | 0 | 111.4 | Q125 A128 I129 Y133 L295 | Q125-P297 HydrophobicContact CB-CB 4.04Å; Q125-P297 HydrophobicContact CB-CG 4.09Å; Q125-P297 HydrophobicContact CG-CB 4.45Å; Q125-P297 PolarHBondContact NE2-O 2.93Å; Q125-P297 VanDerWaalsContact NE2-O 3.16Å; Q125-P297 WeakPolarHBondContact O-CB 3.25Å; Q125-P297 WeakPolarHBondContact O-CG 3.46Å; A128-P297 HydrophobicContact CB-CB 3.67Å; I129-P297 HydrophobicContact CD1-CG 4.14Å; I129-P297 HydrophobicContact CG1-CG 3.62Å; Y133-P297 HydrophobicContact CE2-CB 4.13Å; Y133-P297 HydrophobicContact CE2-CG 4.07Å; Y133-P297 VanDerWaalsContact OH-CA 3.32Å; Y133-P297 WeakPolarHBondContact OH-CA 3.34Å; L295-P297 HydrophobicContact CD2-CG 3.69Å |
| 298 | V | 98.6 | Very high | 98.4 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 121.6 | 180 | 178.8 | 0 | 0 | 0 | 0 | 109 | L163 I188 N192 K296 K324 | L163-V298 HydrophobicContact CD1-CB 3.67Å; L163-V298 HydrophobicContact CD1-CG1 3.9Å; L163-V298 HydrophobicContact CD1-CG2 4.08Å; I188-V298 HydrophobicContact CD1-CG1 3.82Å; I188-V298 HydrophobicContact CG1-CG1 3.87Å; N192-V298 WeakPolarHBondContact OD1-CG2 3.35Å; K296-V298 PolarHBondContact O-N 3.47Å; V298-K324 PolarHBondContact O-N 2.89Å |
| 299 | I | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.9 | 177.6 | -52.6 | -53.2 | 0 | 0 | 0 | 108.6 | K124 Q125 A128 Q302 K324 I326 | K124-I299 HydrophobicContact CB-CD1 4.44Å; K124-I299 HydrophobicContact CB-CG1 4.09Å; K124-I299 WeakPolarHBondContact O-CD1 3.34Å; Q125-I299 HydrophobicContact CG-CG1 4.43Å; A128-I299 HydrophobicContact CB-CD1 3.7Å; I299-Q302 HydrophobicContact CG2-CG 3.64Å; I299-K324 HydrophobicContact CD1-CB 4.43Å; I299-I326 HydrophobicContact CD1-CD1 4.45Å; I299-I326 HydrophobicContact CD1-CG2 4.19Å; I299-I326 HydrophobicContact CG2-CD1 3.81Å; I299-I326 HydrophobicContact CG2-CG1 4.07Å |
| 300 | G | 97.9 | Very high | 98.4 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -95.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K324 | G300-K324 PolarHBondContact N-O 2.88Å |
| 301 | S | 97.9 | Very high | 98.4 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 147.1 | -179.4 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | M325 I326 | S301-M325 WeakPolarHBondContact O-CA 3.36Å; S301-M325 WeakPolarHBondContact OG-CE 3.35Å; S301-M325 WeakPolarHBondContact OG-CG 3.46Å; S301-I326 PolarHBondContact O-N 3.35Å |
| 302 | Q | 98.7 | Very high | 98.4 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127 | -179.6 | -62.3 | 172.7 | 61.6 | 0 | 0 | 108 | I299 I326 L328 | I299-Q302 HydrophobicContact CG2-CG 3.64Å; Q302-I326 HydrophobicContact CB-CG1 4.33Å; Q302-I326 HydrophobicContact CG-CD1 4Å; Q302-I326 HydrophobicContact CG-CG1 3.82Å; Q302-L328 HydrophobicContact CB-CD1 4.18Å; Q302-L328 HydrophobicContact CB-CG 4.43Å |
| 303 | Y | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 11% | 0.114 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.1 | 177 | -66.5 | -101.8 | 0 | 0 | 0 | 109.4 | K307 E310 A311 D314 M325 I326 L327 L328 | Y303-K307 HydrophobicContact CD1-CB 3.97Å; Y303-K307 HydrophobicContact CD1-CD 4.48Å; Y303-E310 HydrophobicContact CD1-CB 4.3Å; Y303-E310 HydrophobicContact CD1-CG 4.44Å; Y303-E310 HydrophobicContact CE1-CB 4.12Å; Y303-E310 HydrophobicContact CE1-CG 3.83Å; Y303-A311 HydrophobicContact CD1-CB 4.21Å; Y303-A311 HydrophobicContact CD2-CB 3.79Å; Y303-A311 HydrophobicContact CE2-CB 4.24Å; Y303-A311 HydrophobicContact CG-CB 3.79Å; Y303-D314 PolarHBondContact OH-OD2 3.19Å; Y303-M325 HydrophobicContact CD2-CG 4.04Å; Y303-M325 HydrophobicContact CD2-SD 4.28Å; Y303-M325 HydrophobicContact CE2-CE 3.81Å; Y303-M325 HydrophobicContact CE2-CG 3.98Å; Y303-M325 HydrophobicContact CE2-SD 3.94Å; Y303-I326 PolarHBondContact N-O 3.39Å; Y303-L327 CarbonylContact O-C 3.55Å; Y303-L327 VanDerWaalsContact O-CA 3.22Å; Y303-L327 WeakPolarHBondContact O-CA 3.15Å; Y303-L328 PolarHBondContact O-N 3.1Å |
| 304 | P | 98.8 | Very high | 98.5 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 153.7 | 163.8 | 31.6 | -35.8 | 0 | 0 | 0 | 109.8 | E306 K307 | P304-E306 PolarHBondContact O-N 2.91Å; P304-E306 VanDerWaalsContact O-N 3.1Å; P304-K307 HydrophobicContact CG-CB 4.13Å; P304-K307 HydrophobicContact CG-CD 3.82Å; P304-K307 HydrophobicContact CG-CG 3.91Å; P304-K307 PolarHBondContact O-N 2.74Å |
| 305 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -52.5 | -34.7 | -177.6 | -170.3 | 66.6 | 0 | 0 | 0 | 113.1 | R9 V11 L24 K307 V308 L327 L328 L329 | R9-L305 HydrophobicContact CB-CD2 4.4Å; V11-L305 HydrophobicContact CG2-CD1 3.7Å; V11-L305 HydrophobicContact CG2-CG 3.98Å; L24-L305 HydrophobicContact CD1-CD2 3.66Å; L24-L305 HydrophobicContact CD1-CG 4.01Å; L305-K307 PolarHBondContact O-N 3.4Å; L305-V308 WeakPolarHBondContact O-CB 3.44Å; L305-V308 PolarHBondContact O-N 3.01Å; L305-L327 HydrophobicContact CD1-CD1 3.98Å; L305-L328 PolarHBondContact N-O 3.03Å; L305-L329 HydrophobicContact CB-CD1 4.22Å; L305-L329 HydrophobicContact CD1-CD1 3.73Å; L305-L329 HydrophobicContact CD2-CD1 3.63Å; L305-L329 HydrophobicContact CG-CD1 4.05Å |
| 306 | E | 98.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 47.5 Ų | 47.5 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -59 | -28 | 176.9 | -67.1 | 66.7 | -151 | 0 | 0 | 113 | R9 L24 P304 | R9-E306 IonicContact CZ-OE1 2.85Å; R9-E306 IonicContact NH1-OE1 3.63Å; R9-E306 PolarHBondContact NH1-OE1 3.5Å; L24-E306 HydrophobicContact CD2-CB 4.46Å; L24-E306 HydrophobicContact CD2-CG 3.74Å; P304-E306 PolarHBondContact O-N 2.91Å; P304-E306 VanDerWaalsContact O-N 3.1Å |
| 307 | K | 98.7 | Very high | 98.1 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 40% | 0.404 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -96.8 | 19.7 | -178.2 | -71.2 | -176.2 | 154.6 | -127.7 | 0 | 113.1 | Y303 P304 L305 A309 E310 A311 | Y303-K307 HydrophobicContact CD1-CB 3.97Å; Y303-K307 HydrophobicContact CD1-CD 4.48Å; P304-K307 HydrophobicContact CG-CB 4.13Å; P304-K307 HydrophobicContact CG-CD 3.82Å; P304-K307 HydrophobicContact CG-CG 3.91Å; P304-K307 PolarHBondContact O-N 2.74Å; L305-K307 PolarHBondContact O-N 3.4Å; K307-A309 PolarHBondContact O-N 2.96Å; K307-A309 VanDerWaalsContact O-N 3.15Å; K307-E310 HydrophobicContact CB-CB 4.33Å; K307-E310 WeakPolarHBondContact CD-OE2 3.37Å; K307-E310 WeakPolarHBondContact CE-OE2 3.3Å; K307-E310 IonicContact NZ-OE1 3.6Å; K307-E310 IonicContact NZ-OE2 2.74Å; K307-E310 PolarHBondContact NZ-OE2 3.28Å; K307-E310 WeakPolarHBondContact O-CA 3.2Å; K307-E310 WeakPolarHBondContact O-CB 3.12Å; K307-E310 PolarHBondContact O-N 3.04Å; K307-A311 PolarHBondContact O-N 3.47Å |
| 308 | V | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.7 | -34.4 | 179.8 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | V11 L22 Y103 L305 A311 H312 L327 | V11-V308 HydrophobicContact CG1-CG1 4.01Å; V11-V308 HydrophobicContact CG1-CG2 4.47Å; V11-V308 HydrophobicContact CG2-CB 4.13Å; V11-V308 HydrophobicContact CG2-CG1 3.73Å; V11-V308 HydrophobicContact CG2-CG2 4.28Å; L22-V308 HydrophobicContact CB-CG1 3.83Å; L22-V308 HydrophobicContact CD1-CG1 4.41Å; L22-V308 HydrophobicContact CD1-CG2 4.21Å; L22-V308 HydrophobicContact CD2-CG2 4.39Å; Y103-V308 HydrophobicContact CD2-CG2 3.68Å; Y103-V308 HydrophobicContact CE2-CG2 3.58Å; L305-V308 WeakPolarHBondContact O-CB 3.44Å; L305-V308 PolarHBondContact O-N 3.01Å; V308-A311 PolarHBondContact O-N 3.28Å; V308-H312 WeakPolarHBondContact O-CB 3.32Å; V308-H312 PolarHBondContact O-N 2.95Å; V308-L327 HydrophobicContact CB-CD1 4.2Å; V308-L327 HydrophobicContact CB-CD2 4.49Å; V308-L327 HydrophobicContact CG2-CD1 3.74Å |
| 309 | A | 98.6 | Very high | 97.1 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67 | -39 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | P19 L22 K307 K313 | P19-A309 HydrophobicContact CB-CB 4.04Å; P19-A309 WeakPolarHBondContact CB-O 3.17Å; P19-A309 WeakPolarHBondContact O-CB 3.31Å; L22-A309 HydrophobicContact CD1-CB 4.48Å; K307-A309 PolarHBondContact O-N 2.96Å; K307-A309 VanDerWaalsContact O-N 3.15Å; A309-K313 PolarHBondContact O-N 3.2Å |
| 310 | E | 98.7 | Very high | 96.7 | Very high | 77 Ų | 77 | 53 Ų | 53 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 174.1 | -163.7 | -179.9 | 164 | 0 | 0 | 110.2 | Y303 K307 H312 K313 D314 | Y303-E310 HydrophobicContact CD1-CB 4.3Å; Y303-E310 HydrophobicContact CD1-CG 4.44Å; Y303-E310 HydrophobicContact CE1-CB 4.12Å; Y303-E310 HydrophobicContact CE1-CG 3.83Å; K307-E310 HydrophobicContact CB-CB 4.33Å; K307-E310 WeakPolarHBondContact CD-OE2 3.37Å; K307-E310 WeakPolarHBondContact CE-OE2 3.3Å; K307-E310 IonicContact NZ-OE1 3.6Å; K307-E310 IonicContact NZ-OE2 2.74Å; K307-E310 PolarHBondContact NZ-OE2 3.28Å; K307-E310 WeakPolarHBondContact O-CA 3.2Å; K307-E310 WeakPolarHBondContact O-CB 3.12Å; K307-E310 PolarHBondContact O-N 3.04Å; E310-H312 VanDerWaalsContact C-N 3.34Å; E310-H312 PolarHBondContact O-N 3.34Å; E310-K313 WeakPolarHBondContact O-CB 3.13Å; E310-K313 PolarHBondContact O-N 3.46Å; E310-D314 WeakPolarHBondContact O-CB 3.46Å; E310-D314 PolarHBondContact O-N 3.16Å |
| 311 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V47 Y303 K307 V308 K313 D314 I315 M325 L327 | V47-A311 HydrophobicContact CG2-CB 4.39Å; Y303-A311 HydrophobicContact CD1-CB 4.21Å; Y303-A311 HydrophobicContact CD2-CB 3.79Å; Y303-A311 HydrophobicContact CE2-CB 4.24Å; Y303-A311 HydrophobicContact CG-CB 3.79Å; K307-A311 PolarHBondContact O-N 3.47Å; V308-A311 PolarHBondContact O-N 3.28Å; A311-K313 VanDerWaalsContact C-N 3.31Å; A311-K313 PolarHBondContact O-N 3.14Å; A311-D314 PolarHBondContact O-N 3.28Å; A311-I315 PolarHBondContact O-N 2.85Å; A311-M325 HydrophobicContact CB-SD 3.75Å; A311-L327 HydrophobicContact CB-CD2 3.88Å |
| 312 | H | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66 | -29.8 | 176.9 | -92.5 | -128 | 0 | 0 | 0 | 113.7 | P19 L22 T52 R55 Y103 V308 E310 | P19-H312 HydrophobicContact CB-CB 4.45Å; L22-H312 HydrophobicContact CD1-CB 3.89Å; T52-H312 HydrophobicContact CG2-CB 4.46Å; R55-H312 PolarHBondContact NH1-ND1 3.34Å; R55-H312 VanDerWaalsContact NH1-ND1 3.16Å; Y103-H312 AromaticContact CE2-NE2 3.34Å; Y103-H312 VanDerWaalsContact CE2-NE2 3.34Å; Y103-H312 WeakPolarHBondContact CE2-NE2 3.32Å; Y103-H312 AromaticContact CZ-NE2 3.66Å; Y103-H312 PolarHBondContact OH-NE2 3.08Å; V308-H312 WeakPolarHBondContact O-CB 3.32Å; V308-H312 PolarHBondContact O-N 2.95Å; E310-H312 VanDerWaalsContact C-N 3.34Å; E310-H312 PolarHBondContact O-N 3.34Å |
| 313 | K | 98.1 | Very high | 96.5 | Very high | 125 Ų | 125 | 50.9 Ų | 50.9 | 54% | 0.543 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.4 | -48 | 173.1 | -178.3 | -176.6 | 174.8 | -175.2 | 0 | 110.2 | P19 A309 E310 A311 I315 I316 H317 | P19-K313 HydrophobicContact CG-CB 4.34Å; A309-K313 PolarHBondContact O-N 3.2Å; E310-K313 WeakPolarHBondContact O-CB 3.13Å; E310-K313 PolarHBondContact O-N 3.46Å; A311-K313 VanDerWaalsContact C-N 3.31Å; A311-K313 PolarHBondContact O-N 3.14Å; K313-I315 PolarHBondContact O-N 2.88Å; K313-I316 PolarHBondContact O-N 2.86Å; K313-H317 PolarHBondContact O-CD2 2.74Å; K313-H317 PolarHBondContact O-N 2.69Å |
| 314 | D | 98 | Very high | 96.5 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.2 | -31.1 | -172.4 | -68.7 | -11.9 | 0 | 0 | 0 | 112.8 | Y303 E310 A311 I316 G318 M325 | Y303-D314 PolarHBondContact OH-OD2 3.19Å; E310-D314 WeakPolarHBondContact O-CB 3.46Å; E310-D314 PolarHBondContact O-N 3.16Å; A311-D314 PolarHBondContact O-N 3.28Å; D314-I316 PolarHBondContact O-N 3.09Å; D314-G318 WeakPolarHBondContact O-CA 3.06Å; D314-G318 PolarHBondContact O-N 3.44Å; D314-M325 HydrophobicContact CB-CE 3.86Å |
| 315 | I | 97.1 | Very high | 96.5 | Very high | 38 Ų | 38 | 48 Ų | 48 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -21 | 176.4 | -160.6 | 169.1 | 0 | 0 | 0 | 112.9 | V47 P49 T52 A311 K313 M325 | V47-I315 HydrophobicContact CB-CD1 4.17Å; V47-I315 HydrophobicContact CG1-CD1 3.68Å; V47-I315 HydrophobicContact CG1-CG2 4.33Å; V47-I315 WeakPolarHBondContact O-CD1 3.42Å; P49-I315 HydrophobicContact CG-CD1 4.1Å; P49-I315 HydrophobicContact CG-CG1 4.35Å; T52-I315 HydrophobicContact CG2-CG2 3.67Å; A311-I315 PolarHBondContact O-N 2.85Å; K313-I315 PolarHBondContact O-N 2.88Å; I315-M325 HydrophobicContact CB-CE 4.02Å; I315-M325 HydrophobicContact CB-SD 3.89Å; I315-M325 HydrophobicContact CG1-SD 4.49Å |
| 316 | I | 95.5 | Very high | 96.5 | Very high | 43 Ų | 43 | 48 Ų | 48 | 22% | 0.221 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -101.6 | -38.1 | 178.7 | -55 | -56.6 | 0 | 0 | 0 | 111.8 | P49 T52 Y53 K313 D314 | P49-I316 HydrophobicContact CB-CD1 4.43Å; T52-I316 HydrophobicContact CG2-CD1 4Å; T52-I316 HydrophobicContact CG2-CG1 3.93Å; T52-I316 WeakPolarHBondContact OG1-CD1 3.34Å; Y53-I316 HydrophobicContact CE1-CD1 4.21Å; K313-I316 PolarHBondContact O-N 2.86Å; D314-I316 PolarHBondContact O-N 3.09Å |
| 317 | H | 94.6 | Very high | 96.5 | Very high | 147 Ų | 147 | 43.2 Ų | 43.2 | 68% | 0.681 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -120.3 | 2.7 | -169.2 | -56.3 | -65.6 | 0 | 0 | 0 | 114.6 | K313 | K313-H317 PolarHBondContact O-CD2 2.74Å; K313-H317 PolarHBondContact O-N 2.69Å |
| 318 | G | 89.8 | Confident | 96.5 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -67.3 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D314 G320 | D314-G318 WeakPolarHBondContact O-CA 3.06Å; D314-G318 PolarHBondContact O-N 3.44Å; G318-G320 VanDerWaalsContact C-N 3.29Å; G318-G320 PolarHBondContact O-N 2.84Å |
| 319 | S | 85.9 | Confident | 96.4 | Very high | 98 Ų | 98 | 43.9 Ų | 43.9 | 69% | 0.685 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -75.1 | -11.4 | -172.9 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | T182 R201 | T182-S319 VanDerWaalsContact CG2-O 3.23Å; T182-S319 WeakPolarHBondContact CG2-O 3.42Å; R201-S319 VanDerWaalsContact CZ-O 3.28Å; R201-S319 PolarHBondContact NH1-O 3.26Å; R201-S319 PolarHBondContact NH2-O 3.43Å |
| 320 | G | 89.4 | Confident | 96.3 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | trans | 151.6 | 142.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G318 | G318-G320 VanDerWaalsContact C-N 3.29Å; G318-G320 PolarHBondContact O-N 2.84Å | ||
| 321 | A | 96.4 | Very high | 96.2 | Very high | 41 Ų | 41 | 42.6 Ų | 42.6 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | trans | -83.9 | 145.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S158 | S158-A321 WeakPolarHBondContact CB-O 3.23Å; S158-A321 CarbonylContact O-C 3.56Å; S158-A321 WeakPolarHBondContact O-CB 3.11Å; S158-A321 PolarHBondContact OG-O 3.4Å | ||
| 322 | T | 97.2 | Very high | 96.1 | Very high | 55 Ų | 55 | 45 Ų | 45 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -129.1 | 28.6 | 172 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | S158 E184 | S158-T322 CarbonylContact O-C 3.57Å; E184-T322 HydrophobicContact CB-CG2 3.99Å |
| 323 | G | 97.9 | Very high | 95.9 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | 137.2 | -162.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S158 | S158-G323 PolarHBondContact O-N 3.49Å |
| 324 | K | 98.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.7 | 176.6 | -177.5 | 69.7 | 168.2 | 173 | 0 | 110.5 | V47 N48 D72 A128 P132 V298 I299 G300 I326 | V47-K324 WeakPolarHBondContact O-CE 3.45Å; V47-K324 PolarHBondContact O-NZ 3.16Å; N48-K324 PolarHBondContact OD1-NZ 2.9Å; D72-K324 IonicContact OD2-NZ 3.82Å; A128-K324 HydrophobicContact CB-CB 3.6Å; A128-K324 HydrophobicContact CB-CD 4.49Å; A128-K324 HydrophobicContact CB-CG 3.56Å; P132-K324 HydrophobicContact CG-CD 4Å; V298-K324 PolarHBondContact O-N 2.89Å; I299-K324 HydrophobicContact CD1-CB 4.43Å; G300-K324 PolarHBondContact N-O 2.88Å; K324-I326 HydrophobicContact CG-CG2 3.82Å |
| 325 | M | 98.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 133.1 | 165.2 | -179 | -178.4 | -70.9 | 0 | 0 | 109.8 | V47 S301 Y303 A311 D314 I315 | V47-M325 HydrophobicContact CB-CB 4.25Å; V47-M325 HydrophobicContact CB-CG 4.04Å; V47-M325 HydrophobicContact CB-SD 4.19Å; V47-M325 HydrophobicContact CG1-SD 4.11Å; V47-M325 HydrophobicContact CG2-CG 4.04Å; V47-M325 HydrophobicContact CG2-SD 4.34Å; V47-M325 PolarHBondContact N-O 2.96Å; S301-M325 WeakPolarHBondContact O-CA 3.36Å; S301-M325 WeakPolarHBondContact OG-CE 3.35Å; S301-M325 WeakPolarHBondContact OG-CG 3.46Å; Y303-M325 HydrophobicContact CD2-CG 4.04Å; Y303-M325 HydrophobicContact CD2-SD 4.28Å; Y303-M325 HydrophobicContact CE2-CE 3.81Å; Y303-M325 HydrophobicContact CE2-CG 3.98Å; Y303-M325 HydrophobicContact CE2-SD 3.94Å; A311-M325 HydrophobicContact CB-SD 3.75Å; D314-M325 HydrophobicContact CB-CE 3.86Å; I315-M325 HydrophobicContact CB-CE 4.02Å; I315-M325 HydrophobicContact CB-SD 3.89Å; I315-M325 HydrophobicContact CG1-SD 4.49Å |
| 326 | I | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.2 | 179.7 | 67.8 | 173.2 | 0 | 0 | 0 | 112 | A44 C45 K124 A127 I299 S301 Q302 Y303 K324 L328 | A44-I326 HydrophobicContact CB-CD1 4.3Å; C45-I326 CarbonylContact O-C 3.53Å; C45-I326 WeakPolarHBondContact O-CA 3.48Å; K124-I326 HydrophobicContact CB-CD1 3.54Å; K124-I326 HydrophobicContact CD-CD1 4.28Å; K124-I326 HydrophobicContact CG-CD1 3.81Å; A127-I326 HydrophobicContact CB-CG2 4.36Å; I299-I326 HydrophobicContact CD1-CD1 4.45Å; I299-I326 HydrophobicContact CD1-CG2 4.19Å; I299-I326 HydrophobicContact CG2-CD1 3.81Å; I299-I326 HydrophobicContact CG2-CG1 4.07Å; S301-I326 PolarHBondContact O-N 3.35Å; Q302-I326 HydrophobicContact CB-CG1 4.33Å; Q302-I326 HydrophobicContact CG-CD1 4Å; Q302-I326 HydrophobicContact CG-CG1 3.82Å; Y303-I326 PolarHBondContact N-O 3.39Å; K324-I326 HydrophobicContact CG-CG2 3.82Å; I326-L328 HydrophobicContact CD1-CD2 3.88Å; I326-L328 HydrophobicContact CG1-CD2 4.39Å |
| 327 | L | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 140.9 | 164.2 | -55.1 | -178.1 | 0 | 0 | 0 | 110 | A44 C45 V47 Y103 Y303 L305 V308 A311 | A44-L327 CarbonylContact C-O 3.39Å; A44-L327 VanDerWaalsContact CA-O 3.25Å; A44-L327 WeakPolarHBondContact CA-O 3.44Å; C45-L327 PolarHBondContact N-O 3.06Å; C45-L327 PolarHBondContact O-N 3.2Å; V47-L327 HydrophobicContact CG2-CD1 4.48Å; V47-L327 HydrophobicContact CG2-CD2 3.9Å; V47-L327 HydrophobicContact CG2-CG 3.74Å; Y103-L327 HydrophobicContact CD1-CD1 3.47Å; Y103-L327 VanDerWaalsContact CD1-CD1 3.47Å; Y103-L327 HydrophobicContact CD2-CD1 3.87Å; Y103-L327 HydrophobicContact CE1-CD1 3.52Å; Y103-L327 HydrophobicContact CE1-CG 4.29Å; Y103-L327 HydrophobicContact CE2-CD1 3.91Å; Y103-L327 HydrophobicContact CG-CD1 3.66Å; Y303-L327 CarbonylContact O-C 3.55Å; Y303-L327 VanDerWaalsContact O-CA 3.22Å; Y303-L327 WeakPolarHBondContact O-CA 3.15Å; L305-L327 HydrophobicContact CD1-CD1 3.98Å; V308-L327 HydrophobicContact CB-CD1 4.2Å; V308-L327 HydrophobicContact CB-CD2 4.49Å; V308-L327 HydrophobicContact CG2-CD1 3.74Å; A311-L327 HydrophobicContact CB-CD2 3.88Å |
| 328 | L | 98.8 | Very high | 95.6 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 138 | 172.5 | -57.9 | -179.9 | 0 | 0 | 0 | 109.7 | A44 K124 Q302 Y303 L305 I326 | A44-L328 HydrophobicContact CB-CD2 4.43Å; K124-L328 HydrophobicContact CD-CD2 4.32Å; K124-L328 HydrophobicContact CG-CD2 4.16Å; Q302-L328 HydrophobicContact CB-CD1 4.18Å; Q302-L328 HydrophobicContact CB-CG 4.43Å; Y303-L328 PolarHBondContact O-N 3.1Å; L305-L328 PolarHBondContact N-O 3.03Å; I326-L328 HydrophobicContact CD1-CD2 3.88Å; I326-L328 HydrophobicContact CG1-CD2 4.39Å |
| 329 | L | 96.7 | Very high | 96.1 | Very high | 59 Ų | 59 | 34.2 Ų | 34.2 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | trans | -106.1 | 0 | -174.4 | -72 | -60 | 0 | 0 | 0 | 111.7 | R9 V42 H43 C45 A104 L305 | R9-L329 PolarHBondContact NH2-OXT 3.14Å; V42-L329 HydrophobicContact CB-CG 4.1Å; V42-L329 HydrophobicContact CG1-CD2 3.65Å; V42-L329 HydrophobicContact CG1-CG 3.72Å; V42-L329 WeakPolarHBondContact O-CB 3.4Å; H43-L329 PolarHBondContact O-N 3.19Å; C45-L329 HydrophobicContact CB-CD2 4.4Å; A104-L329 WeakPolarHBondContact O-CD1 3.46Å; L305-L329 HydrophobicContact CB-CD1 4.22Å; L305-L329 HydrophobicContact CD1-CD1 3.73Å; L305-L329 HydrophobicContact CD2-CD1 3.63Å; L305-L329 HydrophobicContact CG-CD1 4.05Å |
Retrieved 329 of 329 residues in 1009.3 ms
(Link to these results)