| 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 | Very low | 37.3 | Very low | 225 Ų | 225 | 151.2 Ų | 151.2 | 100% | 1.108 | 85% | 0.845 | S | S | * | * | 0 | 135.9 | 0 | -70.8 | 66.8 | 153.5 | 0 | 0 | 109.1 | |||||
| 2 | N | 32.4 | Very low | 38.2 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 88% | 0.882 | 84% | 0.844 | S | S | * | * | -175.9 | 131 | 121.9 | -95.6 | -8 | 0 | 0 | 0 | 110.2 | |||||
| 3 | R | 40.6 | Very low | 38.6 | Very low | 218 Ų | 218 | 141.1 Ų | 141.1 | 82% | 0.823 | 83% | 0.826 | S | S | * | * | trans | -85.2 | 133.8 | 176.7 | -67.7 | 177.7 | 178.3 | 175.2 | 0.2 | 108.9 | ||||
| 4 | S | 31.7 | Very low | 39.7 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -113.1 | 101.1 | 157.9 | -66.4 | 0 | 0 | 0 | 0 | 108.2 | R6 | S4-R6 PolarHBondContact O-N 3.17Å; S4-R6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | H | 42 | Very low | 41.8 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | -64.7 | 112.6 | 166.5 | -75.6 | -54.1 | 0 | 0 | 0 | 108.4 | ||||
| 6 | R | 36.9 | Very low | 44.3 | Very low | 239 Ų | 239 | 131.1 Ų | 131.1 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -91.2 | 116 | 156.1 | -80.6 | -171.5 | 171.6 | -174.6 | -2 | 107.6 | S4 G8 | S4-R6 PolarHBondContact O-N 3.17Å; S4-R6 VanDerWaalsContact O-N 3.17Å; R6-G8 PolarHBondContact O-N 3.32Å | ||
| 7 | H | 34 | Very low | 46.9 | Very low | 182 Ų | 182 | 123.6 Ų | 123.6 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | trans | -52.5 | 128.4 | 166.8 | -75.1 | -85.7 | 0 | 0 | 0 | 109.1 | A9 | H7-A9 PolarHBondContact O-N 2.91Š| ||
| 8 | G | 33.1 | Very low | 49.5 | Very low | 82 Ų | 82 | 120.7 Ų | 120.7 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | -68.8 | 88.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | R6 G10 | R6-G8 PolarHBondContact O-N 3.32Å; G8-G10 PolarHBondContact O-N 2.83Å | ||
| 9 | A | 35.7 | Very low | 51.8 | Low | 87 Ų | 87 | 114.3 Ų | 114.3 | 72% | 0.719 | 67% | 0.673 | S | S | * | * | trans | -57.7 | 132.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | H7 S11 | H7-A9 PolarHBondContact O-N 2.91Å; A9-S11 VanDerWaalsContact C-N 3.34Å; A9-S11 PolarHBondContact O-N 3.42Å | ||
| 10 | G | 42.8 | Very low | 54 | Low | 88 Ų | 88 | 112.2 Ų | 112.2 | 91% | 0.907 | 66% | 0.655 | S | S | * | * | trans | -64.4 | 91.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G8 | G8-G10 PolarHBondContact O-N 2.83Š| ||
| 11 | S | 40.9 | Very low | 56 | Low | 102 Ų | 102 | 106.9 Ų | 106.9 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | trans | -82.4 | 114.2 | 172.3 | -170.3 | 0 | 0 | 0 | 0 | 108.7 | A9 C13 | A9-S11 VanDerWaalsContact C-N 3.34Å; A9-S11 PolarHBondContact O-N 3.42Å; S11-C13 PolarHBondContact O-N 2.82Å | ||
| 12 | G | 48.3 | Very low | 58.6 | Low | 81 Ų | 81 | 99.3 Ų | 99.3 | 84% | 0.835 | 58% | 0.584 | S | S | * | * | trans | -59.2 | 124.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | C | 43.9 | Very low | 61.4 | Low | 90 Ų | 90 | 93.3 Ų | 93.3 | 61% | 0.608 | 55% | 0.551 | S | S | * | * | trans | -141 | 135.8 | -174.7 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | S11 | S11-C13 PolarHBondContact O-N 2.82Š| ||
| 14 | L | 53.3 | Low | 63.6 | Low | 134 Ų | 134 | 85.7 Ų | 85.7 | 70% | 0.702 | 54% | 0.54 | S | S | * | . | cis | -137.7 | 169.4 | -15.4 | -89 | 148.8 | 0 | 0 | 0 | 106 | T16 | L14-T16 PolarHBondContact O-N 2.74Å; L14-T16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | G | 71.1 | Confident | 66.2 | Low | 48 Ų | 48 | 84.7 Ų | 84.7 | 50% | 0.495 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -60.4 | -21.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E33 R34 | G15-E33 WeakPolarHBondContact O-CA 3.1Å; G15-R34 PolarHBondContact O-N 3.05Å |
| 16 | T | 81.5 | Confident | 68.6 | Low | 81 Ų | 81 | 80.9 Ų | 80.9 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 145.8 | 177.2 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | L14 L32 E33 | L14-T16 PolarHBondContact O-N 2.74Å; L14-T16 VanDerWaalsContact O-N 3.1Å; T16-L32 CarbonylContact C-O 3.54Å; T16-L32 WeakPolarHBondContact CA-O 3.33Å; T16-E33 HydrophobicContact CG2-CG 4.19Å |
| 17 | M | 89.4 | Confident | 71.3 | Confident | 4 Ų | 4 | 74.7 Ų | 74.7 | 2% | 0.02 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.5 | 177.5 | 176.6 | -179.6 | 68.8 | 0 | 0 | 109.3 | V19 S31 L32 R34 V82 A85 L89 | M17-V19 HydrophobicContact CE-CG2 4.43Å; M17-S31 CarbonylContact O-C 3.59Å; M17-S31 WeakPolarHBondContact O-CA 3.45Å; M17-L32 HydrophobicContact CE-CD2 4.11Å; M17-L32 PolarHBondContact N-O 2.68Å; M17-L32 PolarHBondContact O-N 3.3Å; M17-R34 HydrophobicContact CB-CG 3.75Å; M17-R34 HydrophobicContact SD-CG 4.39Å; M17-V82 HydrophobicContact CE-CB 4.25Å; M17-V82 HydrophobicContact CE-CG1 3.93Å; M17-V82 HydrophobicContact CE-CG2 4.15Å; M17-A85 HydrophobicContact SD-CB 3.68Å; M17-L89 HydrophobicContact CE-CB 3.7Å; M17-L89 HydrophobicContact CE-CD2 3.7Å; M17-L89 HydrophobicContact CE-CG 4.33Å; M17-L89 HydrophobicContact SD-CB 3.99Å |
| 18 | E | 92.7 | Very high | 74.2 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 33% | 0.332 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 139.3 | 173.8 | -165.5 | -178.2 | -166.9 | 0 | 0 | 110.8 | R29 L88 L89 | E18-R29 IonicContact OE1-CZ 3.09Å; E18-R29 IonicContact OE1-NE 2.68Å; E18-R29 PolarHBondContact OE1-NE 2.79Å; E18-R29 IonicContact OE1-NH2 2.82Å; E18-R29 PolarHBondContact OE1-NH2 3.1Å; E18-R29 IonicContact OE2-CZ 3.73Å; E18-R29 IonicContact OE2-NE 3.93Å; E18-R29 IonicContact OE2-NH2 2.74Å; E18-R29 PolarHBondContact OE2-NH2 3.47Å; E18-L88 HydrophobicContact CB-CD1 3.74Å; E18-L88 HydrophobicContact CG-CD1 3.67Å; E18-L88 WeakPolarHBondContact O-CA 3.42Å; E18-L89 PolarHBondContact O-N 3.13Å |
| 19 | V | 94.9 | Very high | 77.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.3 | 173.4 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | M17 R29 F30 L32 L89 I91 | M17-V19 HydrophobicContact CE-CG2 4.43Å; V19-R29 VanDerWaalsContact O-CA 3.24Å; V19-R29 WeakPolarHBondContact O-CA 3.36Å; V19-F30 HydrophobicContact CB-CD1 4.36Å; V19-F30 HydrophobicContact CB-CD2 4.12Å; V19-F30 HydrophobicContact CB-CE1 4.11Å; V19-F30 HydrophobicContact CB-CE2 3.85Å; V19-F30 HydrophobicContact CB-CG 4.37Å; V19-F30 HydrophobicContact CB-CZ 3.85Å; V19-F30 HydrophobicContact CG1-CE1 3.91Å; V19-F30 HydrophobicContact CG1-CE2 4.13Å; V19-F30 HydrophobicContact CG1-CZ 3.65Å; V19-F30 HydrophobicContact CG2-CD2 4.22Å; V19-F30 HydrophobicContact CG2-CE2 3.84Å; V19-F30 HydrophobicContact CG2-CZ 4.23Å; V19-F30 PolarHBondContact N-O 3.27Å; V19-F30 PolarHBondContact O-N 3.25Å; V19-F30 VanDerWaalsContact O-N 3.08Å; V19-L32 HydrophobicContact CG2-CB 3.83Å; V19-L32 HydrophobicContact CG2-CD2 4.37Å; V19-L89 CarbonylContact C-O 3.57Å; V19-L89 WeakPolarHBondContact CA-O 3.49Å; V19-L89 HydrophobicContact CG1-CB 4.48Å; V19-L89 HydrophobicContact CG1-CD2 4.46Å; V19-L89 HydrophobicContact CG1-CG 4.39Å; V19-L89 HydrophobicContact CG2-CB 4.33Å; V19-L89 HydrophobicContact CG2-CD2 4.32Å; V19-I91 HydrophobicContact CG1-CG1 3.85Å |
| 20 | K | 95.3 | Very high | 79.9 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 107 | 168.8 | 176.8 | 177.6 | 179.1 | 179.4 | 0 | 108.5 | F27 R29 L88 L89 R90 I91 | K20-F27 HydrophobicContact CD-CD1 4.46Å; K20-F27 HydrophobicContact CG-CD1 4.34Å; K20-R29 HydrophobicContact CB-CG 4.13Å; K20-R29 HydrophobicContact CG-CG 4.14Å; K20-L88 HydrophobicContact CB-CD1 3.88Å; K20-L88 HydrophobicContact CB-CD2 4.06Å; K20-L88 HydrophobicContact CB-CG 4.23Å; K20-L88 HydrophobicContact CD-CD2 4.4Å; K20-L89 PolarHBondContact N-O 3.29Å; K20-R90 WeakPolarHBondContact O-CA 3.45Å; K20-I91 PolarHBondContact O-N 3.01Å |
| 21 | S | 95.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.6 | -178.7 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | F27 R28 H51 I91 I93 | S21-F27 CarbonylContact O-C 3.51Å; S21-F27 WeakPolarHBondContact O-CA 3.24Å; S21-R28 PolarHBondContact N-O 3.35Å; S21-R28 PolarHBondContact O-N 2.8Å; S21-H51 WeakPolarHBondContact CB-NE2 3.36Å; S21-H51 PolarHBondContact OG-NE2 2.89Å; S21-I91 CarbonylContact C-O 3.57Å; S21-I91 WeakPolarHBondContact CA-O 3.17Å; S21-I93 WeakPolarHBondContact OG-CD1 3.34Å |
| 22 | K | 94.6 | Very high | 84.5 | Confident | 66 Ų | 66 | 65.9 Ų | 65.9 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.7 | -179.9 | -171.4 | -168.7 | -174.4 | -157.2 | 0 | 110.7 | G24 E26 F27 I91 F92 I93 | K22-G24 WeakPolarHBondContact CE-O 3.24Å; K22-G24 PolarHBondContact NZ-O 3.26Å; K22-E26 CarbonylContact C-O 3.59Å; K22-E26 VanDerWaalsContact CA-O 3.3Å; K22-E26 WeakPolarHBondContact CA-O 3.4Å; K22-E26 WeakPolarHBondContact CG-O 3.35Å; K22-F27 HydrophobicContact CB-CD1 3.73Å; K22-F27 HydrophobicContact CB-CE1 3.68Å; K22-F27 HydrophobicContact CB-CZ 4.49Å; K22-F27 HydrophobicContact CD-CD1 4.38Å; K22-F27 HydrophobicContact CD-CE1 3.57Å; K22-F27 HydrophobicContact CD-CE2 4.42Å; K22-F27 HydrophobicContact CD-CZ 3.6Å; K22-F27 HydrophobicContact CG-CD1 3.75Å; K22-F27 HydrophobicContact CG-CE1 3.45Å; K22-F27 VanDerWaalsContact CG-CE1 3.45Å; K22-F27 HydrophobicContact CG-CE2 4.32Å; K22-F27 HydrophobicContact CG-CG 4.34Å; K22-F27 HydrophobicContact CG-CZ 3.77Å; K22-I91 PolarHBondContact N-O 2.76Å; K22-F92 HydrophobicContact CB-CD1 4.31Å; K22-F92 HydrophobicContact CD-CD1 4.02Å; K22-F92 HydrophobicContact CD-CE1 4.06Å; K22-I93 PolarHBondContact O-N 2.71Å |
| 23 | F | 91.6 | Very high | 86.4 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 18% | 0.175 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 118.8 | 170.6 | 179.1 | -116.7 | 0 | 0 | 0 | 109.4 | A25 E26 I53 V58 I93 K95 | F23-A25 PolarHBondContact O-N 3.3Å; F23-E26 PolarHBondContact N-O 3.5Å; F23-E26 WeakPolarHBondContact O-CA 3.41Å; F23-E26 WeakPolarHBondContact O-CB 3.27Å; F23-E26 PolarHBondContact O-N 3.09Å; F23-I53 HydrophobicContact CD1-CD1 4.14Å; F23-I53 HydrophobicContact CD1-CG2 4.31Å; F23-I53 HydrophobicContact CD2-CD1 4.08Å; F23-I53 HydrophobicContact CE1-CD1 4.02Å; F23-I53 HydrophobicContact CE1-CG2 3.7Å; F23-I53 HydrophobicContact CE2-CD1 3.95Å; F23-I53 HydrophobicContact CG-CD1 4.17Å; F23-I53 HydrophobicContact CZ-CD1 3.91Å; F23-I53 HydrophobicContact CZ-CG2 4.16Å; F23-V58 HydrophobicContact CE2-CG1 4.35Å; F23-I93 HydrophobicContact CB-CB 4.19Å; F23-I93 HydrophobicContact CD2-CB 3.84Å; F23-I93 HydrophobicContact CD2-CG2 3.61Å; F23-I93 HydrophobicContact CE2-CG2 4.16Å; F23-I93 HydrophobicContact CG-CB 4.46Å; F23-I93 HydrophobicContact CG-CG2 4.48Å; F23-K95 HydrophobicContact CE2-CG 4.06Å; F23-K95 HydrophobicContact CZ-CG 4.07Å |
| 24 | G | 86.6 | Confident | 88.3 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -112.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K22 | K22-G24 WeakPolarHBondContact CE-O 3.24Å; K22-G24 PolarHBondContact NZ-O 3.26Å |
| 25 | A | 86.9 | Confident | 89.8 | Confident | 95 Ų | 95 | 64 Ų | 64 | 79% | 0.785 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -12.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F23 | F23-A25 PolarHBondContact O-N 3.3Š|
| 26 | E | 91.1 | Very high | 90.3 | Very high | 79 Ų | 79 | 69.9 Ų | 69.9 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 147.7 | -175.2 | -175.3 | 168.3 | -167.3 | 0 | 0 | 112.2 | K22 F23 R28 | K22-E26 CarbonylContact C-O 3.59Å; K22-E26 VanDerWaalsContact CA-O 3.3Å; K22-E26 WeakPolarHBondContact CA-O 3.4Å; K22-E26 WeakPolarHBondContact CG-O 3.35Å; F23-E26 PolarHBondContact N-O 3.5Å; F23-E26 WeakPolarHBondContact O-CA 3.41Å; F23-E26 WeakPolarHBondContact O-CB 3.27Å; F23-E26 PolarHBondContact O-N 3.09Å; E26-R28 HydrophobicContact CG-CG 4.45Å; E26-R28 IonicContact OE1-CZ 3.13Å; E26-R28 IonicContact OE1-NE 2.67Å; E26-R28 PolarHBondContact OE1-NE 3.24Å; E26-R28 IonicContact OE1-NH2 2.66Å; E26-R28 PolarHBondContact OE1-NH2 2.73Å; E26-R28 IonicContact OE2-NH2 2.97Å; E26-R28 PolarHBondContact OE2-NH2 2.87Å |
| 27 | F | 93.5 | Very high | 90.3 | Very high | 108 Ų | 108 | 67 Ų | 67 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132 | 172 | -66.7 | -90.4 | 0 | 0 | 0 | 110.5 | K20 S21 K22 | K20-F27 HydrophobicContact CD-CD1 4.46Å; K20-F27 HydrophobicContact CG-CD1 4.34Å; S21-F27 CarbonylContact O-C 3.51Å; S21-F27 WeakPolarHBondContact O-CA 3.24Å; K22-F27 HydrophobicContact CB-CD1 3.73Å; K22-F27 HydrophobicContact CB-CE1 3.68Å; K22-F27 HydrophobicContact CB-CZ 4.49Å; K22-F27 HydrophobicContact CD-CD1 4.38Å; K22-F27 HydrophobicContact CD-CE1 3.57Å; K22-F27 HydrophobicContact CD-CE2 4.42Å; K22-F27 HydrophobicContact CD-CZ 3.6Å; K22-F27 HydrophobicContact CG-CD1 3.75Å; K22-F27 HydrophobicContact CG-CE1 3.45Å; K22-F27 VanDerWaalsContact CG-CE1 3.45Å; K22-F27 HydrophobicContact CG-CE2 4.32Å; K22-F27 HydrophobicContact CG-CG 4.34Å; K22-F27 HydrophobicContact CG-CZ 3.77Å |
| 28 | R | 94.9 | Very high | 90.2 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.3 | 170.9 | -64.4 | -170.9 | -176.1 | -170.6 | 19.2 | 110.3 | S21 E26 V50 | S21-R28 PolarHBondContact N-O 3.35Å; S21-R28 PolarHBondContact O-N 2.8Å; E26-R28 HydrophobicContact CG-CG 4.45Å; E26-R28 IonicContact OE1-CZ 3.13Å; E26-R28 IonicContact OE1-NE 2.67Å; E26-R28 PolarHBondContact OE1-NE 3.24Å; E26-R28 IonicContact OE1-NH2 2.66Å; E26-R28 PolarHBondContact OE1-NH2 2.73Å; E26-R28 IonicContact OE2-NH2 2.97Å; E26-R28 PolarHBondContact OE2-NH2 2.87Å; R28-V50 HydrophobicContact CB-CG1 3.87Å; R28-V50 WeakPolarHBondContact CD-O 3.37Å; R28-V50 HydrophobicContact CG-CG1 4.48Å; R28-V50 PolarHBondContact NE-O 2.87Å; R28-V50 PolarHBondContact NH1-O 3.08Å |
| 29 | R | 94 | Very high | 90.2 | Very high | 150 Ų | 150 | 70.8 Ų | 70.8 | 57% | 0.566 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136.5 | 179.7 | -65.6 | 172.6 | 80.6 | 155.4 | 1.9 | 109.5 | E18 V19 K20 | E18-R29 IonicContact OE1-CZ 3.09Å; E18-R29 IonicContact OE1-NE 2.68Å; E18-R29 PolarHBondContact OE1-NE 2.79Å; E18-R29 IonicContact OE1-NH2 2.82Å; E18-R29 PolarHBondContact OE1-NH2 3.1Å; E18-R29 IonicContact OE2-CZ 3.73Å; E18-R29 IonicContact OE2-NE 3.93Å; E18-R29 IonicContact OE2-NH2 2.74Å; E18-R29 PolarHBondContact OE2-NH2 3.47Å; V19-R29 VanDerWaalsContact O-CA 3.24Å; V19-R29 WeakPolarHBondContact O-CA 3.36Å; K20-R29 HydrophobicContact CB-CG 4.13Å; K20-R29 HydrophobicContact CG-CG 4.14Å |
| 30 | F | 93.9 | Very high | 90.1 | Very high | 35 Ų | 35 | 72.1 Ų | 72.1 | 15% | 0.154 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 170 | 176.8 | 60.9 | -89 | 0 | 0 | 0 | 109.8 | V19 F43 L46 L47 V50 | V19-F30 HydrophobicContact CB-CD1 4.36Å; V19-F30 HydrophobicContact CB-CD2 4.12Å; V19-F30 HydrophobicContact CB-CE1 4.11Å; V19-F30 HydrophobicContact CB-CE2 3.85Å; V19-F30 HydrophobicContact CB-CG 4.37Å; V19-F30 HydrophobicContact CB-CZ 3.85Å; V19-F30 HydrophobicContact CG1-CE1 3.91Å; V19-F30 HydrophobicContact CG1-CE2 4.13Å; V19-F30 HydrophobicContact CG1-CZ 3.65Å; V19-F30 HydrophobicContact CG2-CD2 4.22Å; V19-F30 HydrophobicContact CG2-CE2 3.84Å; V19-F30 HydrophobicContact CG2-CZ 4.23Å; V19-F30 PolarHBondContact N-O 3.27Å; V19-F30 PolarHBondContact O-N 3.25Å; V19-F30 VanDerWaalsContact O-N 3.08Å; F30-F43 HydrophobicContact CE2-CE2 4.13Å; F30-F43 AromaticContact CZ-CE2 3.98Å; F30-F43 HydrophobicContact CZ-CE2 3.98Å; F30-L46 HydrophobicContact CD2-CD2 4.39Å; F30-L46 HydrophobicContact CE2-CD2 3.82Å; F30-L46 HydrophobicContact CZ-CD2 4.37Å; F30-L47 HydrophobicContact CE1-CD2 3.98Å; F30-L47 HydrophobicContact CZ-CD2 3.84Å; F30-V50 HydrophobicContact CD1-CG1 4.07Å; F30-V50 HydrophobicContact CD1-CG2 4.41Å; F30-V50 HydrophobicContact CE1-CG1 4.19Å |
| 31 | S | 90.8 | Very high | 89.9 | Confident | 89 Ų | 89 | 75 Ų | 75 | 62% | 0.622 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 146.2 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | M17 | M17-S31 CarbonylContact O-C 3.59Å; M17-S31 WeakPolarHBondContact O-CA 3.45Å |
| 32 | L | 90.3 | Very high | 89.7 | Confident | 22 Ų | 22 | 81 Ų | 81 | 12% | 0.115 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.6 | 179.3 | 179.7 | 67.1 | 0 | 0 | 0 | 109.6 | T16 M17 V19 F43 Y78 V82 | T16-L32 CarbonylContact C-O 3.54Å; T16-L32 WeakPolarHBondContact CA-O 3.33Å; M17-L32 HydrophobicContact CE-CD2 4.11Å; M17-L32 PolarHBondContact N-O 2.68Å; M17-L32 PolarHBondContact O-N 3.3Å; V19-L32 HydrophobicContact CG2-CB 3.83Å; V19-L32 HydrophobicContact CG2-CD2 4.37Å; L32-F43 HydrophobicContact CD2-CD2 4.37Å; L32-F43 HydrophobicContact CD2-CE2 4.12Å; L32-Y78 HydrophobicContact CD2-CE2 4.48Å; L32-Y78 WeakPolarHBondContact CD2-OH 3.46Å; L32-V82 HydrophobicContact CD2-CG2 3.99Å |
| 33 | E | 88.1 | Confident | 89.6 | Confident | 106 Ų | 106 | 78 Ų | 78 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 130.2 | 174.6 | -71.1 | -169.9 | -172.3 | 0 | 0 | 111.8 | G15 T16 | G15-E33 WeakPolarHBondContact O-CA 3.1Å; T16-E33 HydrophobicContact CG2-CG 4.19Å |
| 34 | R | 85.1 | Confident | 89.7 | Confident | 72 Ų | 72 | 77.6 Ų | 77.6 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -77.8 | -25.5 | 174.2 | -73.7 | -175.2 | 173 | 149.7 | -3.6 | 112.9 | G15 M17 V82 A85 | G15-R34 PolarHBondContact O-N 3.05Å; M17-R34 HydrophobicContact CB-CG 3.75Å; M17-R34 HydrophobicContact SD-CG 4.39Å; R34-V82 HydrophobicContact CG-CG1 4.23Å; R34-A85 PolarHBondContact NH2-O 2.59Å |
| 35 | S | 82.9 | Confident | 90 | Very high | 87 Ų | 87 | 76.3 Ų | 76.3 | 61% | 0.608 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -70.2 | -30.8 | -177.8 | 32 | 0 | 0 | 0 | 0 | 113.6 | ||
| 36 | K | 82.9 | Confident | 90.2 | Very high | 171 Ų | 171 | 75 Ų | 75 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | trans | -148.5 | 75.7 | -178.1 | -66.5 | -175.4 | -178.5 | 176.5 | 0 | 109.7 | G38 | K36-G38 PolarHBondContact O-N 3.26Š| ||
| 37 | P | 80.7 | Confident | 90.4 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 14% | 0.143 | 35% | 0.354 | C | S | . | . | trans | -70.6 | -11.3 | -174.5 | 28.5 | -35.4 | 0 | 0 | 0 | 114.4 | Y78 V82 | P37-Y78 HydrophobicContact CB-CE1 3.9Å; P37-Y78 VanDerWaalsContact O-CE1 3.29Å; P37-Y78 WeakPolarHBondContact O-CE1 3.44Å; P37-Y78 PolarHBondContact O-OH 3.45Å; P37-V82 HydrophobicContact CB-CG1 4.18Å; P37-V82 HydrophobicContact CB-CG2 4.15Å | ||
| 38 | G | 88.3 | Confident | 90.3 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | trans | 80 | -163.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | K36 E42 | K36-G38 PolarHBondContact O-N 3.26Å; G38-E42 VanDerWaalsContact CA-OE2 3.3Å; G38-E42 WeakPolarHBondContact CA-OE2 3.15Å | ||
| 39 | K | 92.1 | Very high | 90.2 | Very high | 124 Ų | 124 | 72.1 Ų | 72.1 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | trans | -92.1 | 159.5 | 173.4 | -69.2 | -171.8 | 177.1 | -175.1 | 0 | 112 | E41 E42 F43 | K39-E41 VanDerWaalsContact C-N 3.26Å; K39-E41 PolarHBondContact O-N 3.06Å; K39-E42 HydrophobicContact CB-CG 4.41Å; K39-E42 PolarHBondContact N-OE2 3.42Å; K39-E42 PolarHBondContact O-N 2.81Å; K39-F43 PolarHBondContact O-N 3.17Å | ||
| 40 | F | 91.9 | Very high | 90.2 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.9 | -39.9 | 174.2 | 171.1 | -115.3 | 0 | 0 | 0 | 112 | E42 F43 Y44 I72 D75 Y78 | F40-E42 VanDerWaalsContact C-N 3.34Å; F40-E42 PolarHBondContact O-N 3.21Å; F40-F43 CarbonylContact O-C 3.56Å; F40-F43 PolarHBondContact O-N 2.88Å; F40-Y44 HydrophobicContact CE2-CD2 4.45Å; F40-Y44 AromaticContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CG 4.42Å; F40-Y44 VanDerWaalsContact O-CB 3.31Å; F40-Y44 WeakPolarHBondContact O-CB 3.25Å; F40-Y44 PolarHBondContact O-N 2.97Å; F40-I72 HydrophobicContact CD2-CB 4.42Å; F40-I72 HydrophobicContact CD2-CG2 3.39Å; F40-I72 HydrophobicContact CE2-CB 3.99Å; F40-I72 HydrophobicContact CE2-CG2 3.43Å; F40-I72 VanDerWaalsContact CE2-CG2 3.43Å; F40-I72 WeakPolarHBondContact CE2-O 3.4Å; F40-I72 HydrophobicContact CG-CG2 4.37Å; F40-I72 HydrophobicContact CZ-CG2 4.44Å; F40-I72 VanDerWaalsContact CZ-O 3.29Å; F40-I72 WeakPolarHBondContact CZ-O 3.45Å; F40-D75 WeakPolarHBondContact CB-OD1 3.34Å; F40-D75 PolarHBondContact N-OD1 2.83Å; F40-Y78 HydrophobicContact CB-CG 4.45Å |
| 41 | E | 91.6 | Very high | 90.1 | Very high | 134 Ų | 134 | 65 Ų | 65 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | -180 | -167.3 | 60.7 | -152.3 | 0 | 0 | 112.5 | K39 Y44 G45 | K39-E41 VanDerWaalsContact C-N 3.26Å; K39-E41 PolarHBondContact O-N 3.06Å; E41-Y44 PolarHBondContact O-N 3.07Å; E41-G45 PolarHBondContact O-N 2.69Å |
| 42 | E | 92.4 | Very high | 90.2 | Very high | 125 Ų | 125 | 68.4 Ų | 68.4 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 177.2 | -61.8 | 167.8 | 163.9 | 0 | 0 | 110.7 | G38 K39 F40 L46 | G38-E42 VanDerWaalsContact CA-OE2 3.3Å; G38-E42 WeakPolarHBondContact CA-OE2 3.15Å; K39-E42 HydrophobicContact CB-CG 4.41Å; K39-E42 PolarHBondContact N-OE2 3.42Å; K39-E42 PolarHBondContact O-N 2.81Å; F40-E42 VanDerWaalsContact C-N 3.34Å; F40-E42 PolarHBondContact O-N 3.21Å; E42-L46 WeakPolarHBondContact O-CB 3.41Å; E42-L46 PolarHBondContact O-N 2.97Å |
| 43 | F | 93.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 175.8 | -176.6 | -109.4 | 0 | 0 | 0 | 112.6 | F30 L32 K39 F40 L46 L47 I72 Y78 L89 I91 | F30-F43 HydrophobicContact CE2-CE2 4.13Å; F30-F43 AromaticContact CZ-CE2 3.98Å; F30-F43 HydrophobicContact CZ-CE2 3.98Å; L32-F43 HydrophobicContact CD2-CD2 4.37Å; L32-F43 HydrophobicContact CD2-CE2 4.12Å; K39-F43 PolarHBondContact O-N 3.17Å; F40-F43 CarbonylContact O-C 3.56Å; F40-F43 PolarHBondContact O-N 2.88Å; F43-L46 WeakPolarHBondContact O-CB 3.29Å; F43-L46 PolarHBondContact O-N 3.42Å; F43-L47 HydrophobicContact CD1-CD1 4Å; F43-L47 HydrophobicContact CD1-CG 4.36Å; F43-L47 HydrophobicContact CE1-CD1 3.59Å; F43-L47 HydrophobicContact CE1-CG 4.07Å; F43-L47 HydrophobicContact CZ-CD1 4.1Å; F43-L47 HydrophobicContact CZ-CD2 4.18Å; F43-L47 HydrophobicContact CZ-CG 4.18Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 2.97Å; F43-I72 HydrophobicContact CE1-CD1 4.41Å; F43-Y78 HydrophobicContact CB-CD2 4.33Å; F43-Y78 HydrophobicContact CB-CE1 4.22Å; F43-Y78 HydrophobicContact CB-CE2 3.69Å; F43-Y78 AromaticContact CD1-CD2 3.72Å; F43-Y78 HydrophobicContact CD1-CD2 3.72Å; F43-Y78 AromaticContact CD1-CE2 3.4Å; F43-Y78 HydrophobicContact CD1-CE2 3.4Å; F43-Y78 VanDerWaalsContact CD1-CE2 3.4Å; F43-Y78 AromaticContact CD2-CE2 3.64Å; F43-Y78 HydrophobicContact CD2-CE2 3.64Å; F43-Y78 AromaticContact CD2-CZ 3.91Å; F43-Y78 WeakPolarHBondContact CD2-OH 3.49Å; F43-Y78 HydrophobicContact CE1-CD2 4.15Å; F43-Y78 AromaticContact CE1-CE2 3.83Å; F43-Y78 HydrophobicContact CE1-CE2 3.83Å; F43-Y78 HydrophobicContact CE2-CE2 4.07Å; F43-Y78 HydrophobicContact CG-CD2 4.02Å; F43-Y78 AromaticContact CG-CE2 3.28Å; F43-Y78 HydrophobicContact CG-CE2 3.28Å; F43-Y78 AromaticContact CG-CZ 3.66Å; F43-Y78 HydrophobicContact CZ-CE2 4.15Å; F43-L89 HydrophobicContact CZ-CD2 4.42Å; F43-I91 HydrophobicContact CE1-CD1 4.37Å; F43-I91 HydrophobicContact CZ-CD1 4.36Å; F43-I91 HydrophobicContact CZ-CG1 4.14Å |
| 44 | Y | 92.7 | Very high | 89.8 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 176.2 | -178.3 | -94.7 | 0 | 0 | 0 | 111 | F40 E41 L46 L47 Q48 V58 V60 | F40-Y44 HydrophobicContact CE2-CD2 4.45Å; F40-Y44 AromaticContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CD2 3.9Å; F40-Y44 HydrophobicContact CZ-CG 4.42Å; F40-Y44 VanDerWaalsContact O-CB 3.31Å; F40-Y44 WeakPolarHBondContact O-CB 3.25Å; F40-Y44 PolarHBondContact O-N 2.97Å; E41-Y44 PolarHBondContact O-N 3.07Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 2.85Å; Y44-L47 PolarHBondContact O-N 2.84Å; Y44-L47 VanDerWaalsContact O-N 3.15Å; Y44-Q48 VanDerWaalsContact CE1-CD 3.49Å; Y44-Q48 HydrophobicContact CE1-CG 4.2Å; Y44-Q48 VanDerWaalsContact CE1-NE2 3.34Å; Y44-Q48 PolarHBondContact O-N 3.06Å; Y44-Q48 PolarHBondContact OH-NE2 2.85Å; Y44-V58 HydrophobicContact CD2-CG2 4.49Å; Y44-V58 HydrophobicContact CE2-CG2 3.56Å; Y44-V58 WeakPolarHBondContact CE2-O 3.17Å; Y44-V58 PolarHBondContact OH-N 3.06Å; Y44-V58 VanDerWaalsContact OH-N 3.1Å; Y44-V60 HydrophobicContact CD2-CG2 3.86Å; Y44-V60 HydrophobicContact CE2-CG2 4.08Å |
| 45 | G | 92.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E41 Q48 H49 | E41-G45 PolarHBondContact O-N 2.69Å; G45-Q48 PolarHBondContact O-N 2.84Å; G45-H49 WeakPolarHBondContact O-CB 3.46Å; G45-H49 PolarHBondContact O-N 2.87Å |
| 46 | L | 92.8 | Very high | 89.6 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 36% | 0.356 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 172.8 | 178.6 | 64.5 | 0 | 0 | 0 | 111.7 | F30 E42 F43 Y44 H49 V50 | F30-L46 HydrophobicContact CD2-CD2 4.39Å; F30-L46 HydrophobicContact CE2-CD2 3.82Å; F30-L46 HydrophobicContact CZ-CD2 4.37Å; E42-L46 WeakPolarHBondContact O-CB 3.41Å; E42-L46 PolarHBondContact O-N 2.97Å; F43-L46 WeakPolarHBondContact O-CB 3.29Å; F43-L46 PolarHBondContact O-N 3.42Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 2.85Å; L46-H49 PolarHBondContact O-N 2.85Å; L46-V50 HydrophobicContact CD1-CG2 3.83Å; L46-V50 HydrophobicContact CG-CG2 4.15Å; L46-V50 WeakPolarHBondContact O-CB 3.3Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.46Å |
| 47 | L | 93.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.9 | -73.6 | 179.5 | 0 | 0 | 0 | 112.2 | F30 F43 Y44 V50 H51 V60 I91 I93 | F30-L47 HydrophobicContact CE1-CD2 3.98Å; F30-L47 HydrophobicContact CZ-CD2 3.84Å; F43-L47 HydrophobicContact CD1-CD1 4Å; F43-L47 HydrophobicContact CD1-CG 4.36Å; F43-L47 HydrophobicContact CE1-CD1 3.59Å; F43-L47 HydrophobicContact CE1-CG 4.07Å; F43-L47 HydrophobicContact CZ-CD1 4.1Å; F43-L47 HydrophobicContact CZ-CD2 4.18Å; F43-L47 HydrophobicContact CZ-CG 4.18Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 2.97Å; Y44-L47 PolarHBondContact O-N 2.84Å; Y44-L47 VanDerWaalsContact O-N 3.15Å; L47-V50 PolarHBondContact O-N 2.69Å; L47-H51 PolarHBondContact O-CD2 3.3Å; L47-H51 PolarHBondContact O-N 2.93Å; L47-V60 HydrophobicContact CD1-CG1 3.68Å; L47-V60 HydrophobicContact CD1-CG2 3.96Å; L47-I91 HydrophobicContact CD1-CG2 4Å; L47-I91 HydrophobicContact CD2-CG2 4.41Å; L47-I93 HydrophobicContact CB-CD1 4Å; L47-I93 HydrophobicContact CD1-CD1 4.2Å; L47-I93 HydrophobicContact CD2-CD1 4.24Å; L47-I93 HydrophobicContact CG-CD1 4.39Å |
| 48 | Q | 92.1 | Very high | 90.1 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 16% | 0.159 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176 | -74.2 | -177.8 | -33.8 | 0 | 0 | 111.8 | Y44 G45 H51 K52 I53 V56 V58 | Y44-Q48 VanDerWaalsContact CE1-CD 3.49Å; Y44-Q48 HydrophobicContact CE1-CG 4.2Å; Y44-Q48 VanDerWaalsContact CE1-NE2 3.34Å; Y44-Q48 PolarHBondContact O-N 3.06Å; Y44-Q48 PolarHBondContact OH-NE2 2.85Å; G45-Q48 PolarHBondContact O-N 2.84Å; Q48-H51 PolarHBondContact O-N 2.69Å; Q48-K52 PolarHBondContact O-N 3.22Å; Q48-I53 HydrophobicContact CB-CG1 4.47Å; Q48-I53 PolarHBondContact O-N 3.47Å; Q48-V56 PolarHBondContact NE2-O 2.99Å; Q48-V58 HydrophobicContact CG-CG2 4.5Å |
| 49 | H | 92.6 | Very high | 90.1 | Very high | 152 Ų | 152 | 65.2 Ų | 65.2 | 70% | 0.704 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.5 | -49 | 175.3 | -176.9 | 87.6 | 0 | 0 | 0 | 111.3 | G45 L46 H51 K52 | G45-H49 WeakPolarHBondContact O-CB 3.46Å; G45-H49 PolarHBondContact O-N 2.87Å; L46-H49 PolarHBondContact O-N 2.85Å; H49-H51 VanDerWaalsContact C-N 3.28Å; H49-H51 PolarHBondContact O-N 2.59Å; H49-K52 PolarHBondContact O-N 3.33Å |
| 50 | V | 93.8 | Very high | 90.1 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.7 | -37.7 | 179.7 | 163.8 | 0 | 0 | 0 | 0 | 111.2 | R28 F30 L46 L47 | R28-V50 HydrophobicContact CB-CG1 3.87Å; R28-V50 WeakPolarHBondContact CD-O 3.37Å; R28-V50 HydrophobicContact CG-CG1 4.48Å; R28-V50 PolarHBondContact NE-O 2.87Å; R28-V50 PolarHBondContact NH1-O 3.08Å; F30-V50 HydrophobicContact CD1-CG1 4.07Å; F30-V50 HydrophobicContact CD1-CG2 4.41Å; F30-V50 HydrophobicContact CE1-CG1 4.19Å; L46-V50 HydrophobicContact CD1-CG2 3.83Å; L46-V50 HydrophobicContact CG-CG2 4.15Å; L46-V50 WeakPolarHBondContact O-CB 3.3Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 3.46Å; L47-V50 PolarHBondContact O-N 2.69Å |
| 51 | H | 92.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.023 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -90.4 | -0.1 | 176.8 | -75.2 | -80.5 | 0 | 0 | 0 | 115 | S21 L47 Q48 H49 I53 I93 | S21-H51 WeakPolarHBondContact CB-NE2 3.36Å; S21-H51 PolarHBondContact OG-NE2 2.89Å; L47-H51 PolarHBondContact O-CD2 3.3Å; L47-H51 PolarHBondContact O-N 2.93Å; Q48-H51 PolarHBondContact O-N 2.69Å; H49-H51 VanDerWaalsContact C-N 3.28Å; H49-H51 PolarHBondContact O-N 2.59Å; H51-I53 VanDerWaalsContact C-N 3.33Å; H51-I53 HydrophobicContact CB-CD1 3.93Å; H51-I53 HydrophobicContact CB-CG1 3.91Å; H51-I93 WeakPolarHBondContact CD2-CD1 3.49Å |
| 52 | K | 91.4 | Very high | 90.1 | Very high | 162 Ų | 162 | 52.1 Ų | 52.1 | 70% | 0.704 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 39.6 | -174.5 | -55.9 | 178.1 | 179.1 | -176.3 | 0 | 113.4 | Q48 H49 P54 | Q48-K52 PolarHBondContact O-N 3.22Å; H49-K52 PolarHBondContact O-N 3.33Å; K52-P54 VanDerWaalsContact O-CD 3.32Å; K52-P54 WeakPolarHBondContact O-CD 3.5Å |
| 53 | I | 88.9 | Confident | 90.1 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | trans | -118.9 | 56.3 | 178.1 | 56.2 | -179.6 | 0 | 0 | 0 | 112.2 | F23 Q48 H51 V56 V58 I93 | F23-I53 HydrophobicContact CD1-CD1 4.14Å; F23-I53 HydrophobicContact CD1-CG2 4.31Å; F23-I53 HydrophobicContact CD2-CD1 4.08Å; F23-I53 HydrophobicContact CE1-CD1 4.02Å; F23-I53 HydrophobicContact CE1-CG2 3.7Å; F23-I53 HydrophobicContact CE2-CD1 3.95Å; F23-I53 HydrophobicContact CG-CD1 4.17Å; F23-I53 HydrophobicContact CZ-CD1 3.91Å; F23-I53 HydrophobicContact CZ-CG2 4.16Å; Q48-I53 HydrophobicContact CB-CG1 4.47Å; Q48-I53 PolarHBondContact O-N 3.47Å; H51-I53 VanDerWaalsContact C-N 3.33Å; H51-I53 HydrophobicContact CB-CD1 3.93Å; H51-I53 HydrophobicContact CB-CG1 3.91Å; I53-V56 HydrophobicContact CB-CB 4.44Å; I53-V56 HydrophobicContact CB-CG2 4.26Å; I53-V58 HydrophobicContact CD1-CG1 3.96Å; I53-I93 HydrophobicContact CD1-CG2 4.41Å | ||
| 54 | P | 81.5 | Confident | 89.9 | Confident | 87 Ų | 87 | 47.8 Ų | 47.8 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 144 | 174.1 | 30.1 | -35.1 | 0 | 0 | 0 | 110.1 | K52 V56 | K52-P54 VanDerWaalsContact O-CD 3.32Å; K52-P54 WeakPolarHBondContact O-CD 3.5Å; P54-V56 VanDerWaalsContact C-N 3.26Å; P54-V56 PolarHBondContact O-N 2.68Å |
| 55 | N | 80 | Confident | 89.5 | Confident | 162 Ų | 162 | 51.6 Ų | 51.6 | 87% | 0.866 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 18.5 | 176.1 | -45 | -30.2 | 0 | 0 | 0 | 115.7 | ||
| 56 | V | 84.8 | Confident | 89 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | trans | -101.5 | 121.9 | 170.1 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | Q48 I53 P54 V58 K95 | Q48-V56 PolarHBondContact NE2-O 2.99Å; I53-V56 HydrophobicContact CB-CB 4.44Å; I53-V56 HydrophobicContact CB-CG2 4.26Å; P54-V56 VanDerWaalsContact C-N 3.26Å; P54-V56 PolarHBondContact O-N 2.68Å; V56-V58 HydrophobicContact CB-CG1 4.33Å; V56-V58 HydrophobicContact CG1-CG1 3.88Å; V56-V58 PolarHBondContact O-N 3.47Å; V56-V58 VanDerWaalsContact O-N 3.15Å; V56-K95 HydrophobicContact CG1-CD 4.28Å; V56-K95 HydrophobicContact CG1-CG 4.09Å | ||
| 57 | D | 83.8 | Confident | 88.3 | Confident | 90 Ų | 90 | 54.7 Ų | 54.7 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | trans | -62.9 | 110.2 | 168.1 | -104.4 | 25.9 | 0 | 0 | 0 | 109.2 | K96 | D57-K96 HydrophobicContact CB-CB 3.93Å; D57-K96 HydrophobicContact CB-CD 3.77Å; D57-K96 WeakPolarHBondContact O-CB 3.36Å; D57-K96 PolarHBondContact O-N 3.3Å; D57-K96 WeakPolarHBondContact OD2-CD 2.99Å; D57-K96 WeakPolarHBondContact OD2-CE 3.47Å; D57-K96 IonicContact OD2-NZ 2.71Å; D57-K96 PolarHBondContact OD2-NZ 3.4Å | ||
| 58 | V | 89.7 | Confident | 87.9 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.9 | 179.4 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | F23 Y44 Q48 I53 V56 V60 I93 Q94 | F23-V58 HydrophobicContact CE2-CG1 4.35Å; Y44-V58 HydrophobicContact CD2-CG2 4.49Å; Y44-V58 HydrophobicContact CE2-CG2 3.56Å; Y44-V58 WeakPolarHBondContact CE2-O 3.17Å; Y44-V58 PolarHBondContact OH-N 3.06Å; Y44-V58 VanDerWaalsContact OH-N 3.1Å; Q48-V58 HydrophobicContact CG-CG2 4.5Å; I53-V58 HydrophobicContact CD1-CG1 3.96Å; V56-V58 HydrophobicContact CB-CG1 4.33Å; V56-V58 HydrophobicContact CG1-CG1 3.88Å; V56-V58 PolarHBondContact O-N 3.47Å; V56-V58 VanDerWaalsContact O-N 3.15Å; V58-V60 HydrophobicContact CG2-CG2 4.38Å; V58-I93 HydrophobicContact CB-CG2 3.53Å; V58-I93 HydrophobicContact CG1-CG2 3.76Å; V58-I93 HydrophobicContact CG2-CG2 3.76Å; V58-Q94 CarbonylContact C-O 3.6Å; V58-Q94 WeakPolarHBondContact CA-O 3.18Å |
| 59 | L | 88.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.12 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 123.9 | 170.8 | -164.4 | 159.8 | 0 | 0 | 0 | 107.9 | I93 Q94 A99 Y101 F104 M135 | L59-I93 WeakPolarHBondContact O-CA 3.18Å; L59-Q94 PolarHBondContact N-O 3.17Å; L59-Q94 PolarHBondContact O-N 2.76Å; L59-Q94 VanDerWaalsContact O-N 3.07Å; L59-A99 HydrophobicContact CD1-CB 4.39Å; L59-Y101 HydrophobicContact CD1-CD1 3.87Å; L59-Y101 HydrophobicContact CD1-CE1 3.3Å; L59-F104 HydrophobicContact CD2-CD2 4.37Å; L59-F104 HydrophobicContact CD2-CE1 3.81Å; L59-F104 HydrophobicContact CD2-CE2 3.45Å; L59-F104 VanDerWaalsContact CD2-CE2 3.45Å; L59-F104 HydrophobicContact CD2-CZ 3.13Å; L59-M135 HydrophobicContact CD1-CG 4.46Å |
| 60 | V | 91.8 | Very high | 87.4 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.3 | -178.7 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | Y44 L47 V58 I72 I91 | Y44-V60 HydrophobicContact CD2-CG2 3.86Å; Y44-V60 HydrophobicContact CE2-CG2 4.08Å; L47-V60 HydrophobicContact CD1-CG1 3.68Å; L47-V60 HydrophobicContact CD1-CG2 3.96Å; V58-V60 HydrophobicContact CG2-CG2 4.38Å; V60-I72 HydrophobicContact CB-CB 4.43Å; V60-I72 HydrophobicContact CG1-CB 4.16Å; V60-I72 HydrophobicContact CG1-CD1 4.17Å; V60-I72 HydrophobicContact CG1-CG1 4.35Å; V60-I72 PolarHBondContact O-N 2.79Å; V60-I91 HydrophobicContact CG1-CG2 3.8Å |
| 61 | G | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L70 I91 F92 | G61-L70 CarbonylContact C-O 3.53Å; G61-L70 WeakPolarHBondContact CA-O 3.27Å; G61-I91 CarbonylContact O-C 3.51Å; G61-I91 VanDerWaalsContact O-CA 3.29Å; G61-I91 WeakPolarHBondContact O-CA 3.35Å; G61-F92 PolarHBondContact N-O 3.38Å; G61-F92 PolarHBondContact O-N 3.14Å |
| 62 | Y | 92.7 | Very high | 87.1 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.2 | 169.5 | 73.3 | -75.9 | 0 | 0 | 0 | 111.9 | D64 L69 L70 I72 A81 R90 | Y62-D64 HydrophobicContact CE2-CB 4.09Å; Y62-L69 WeakPolarHBondContact O-CA 3.41Å; Y62-L70 HydrophobicContact CD1-CB 4Å; Y62-L70 WeakPolarHBondContact CD1-O 3.35Å; Y62-L70 HydrophobicContact CE1-CB 3.56Å; Y62-L70 HydrophobicContact CE1-CD1 4.37Å; Y62-L70 HydrophobicContact CE2-CD1 4.34Å; Y62-L70 PolarHBondContact N-O 3.07Å; Y62-L70 PolarHBondContact O-N 2.82Å; Y62-I72 HydrophobicContact CD1-CD1 4.09Å; Y62-I72 HydrophobicContact CD1-CG1 3.59Å; Y62-I72 HydrophobicContact CE1-CG1 4.3Å; Y62-I72 HydrophobicContact CG-CD1 4.48Å; Y62-I72 HydrophobicContact CG-CG1 4.42Å; Y62-A81 HydrophobicContact CD1-CB 3.63Å; Y62-A81 HydrophobicContact CD2-CB 3.72Å; Y62-A81 HydrophobicContact CE1-CB 3.81Å; Y62-A81 HydrophobicContact CE2-CB 3.92Å; Y62-A81 HydrophobicContact CG-CB 3.55Å; Y62-R90 CarbonylContact C-O 3.58Å; Y62-R90 VanDerWaalsContact CA-O 3.25Å; Y62-R90 WeakPolarHBondContact CA-O 3.48Å |
| 63 | A | 91.1 | Very high | 86.9 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | D68 R90 F92 L109 | A63-D68 WeakPolarHBondContact CA-O 3.44Å; A63-R90 HydrophobicContact CB-CB 3.98Å; A63-R90 PolarHBondContact N-O 3.47Å; A63-F92 HydrophobicContact CB-CE2 4.18Å; A63-L109 HydrophobicContact CB-CD1 3.59Å |
| 64 | D | 88.4 | Confident | 86.9 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | trans | -76.5 | 167.1 | 172.2 | -171.2 | 38.1 | 0 | 0 | 0 | 112.2 | Y62 H66 G67 D68 L70 T84 | Y62-D64 HydrophobicContact CE2-CB 4.09Å; D64-H66 PolarHBondContact O-N 2.96Å; D64-H66 IonicContact OD2-CD2 3.17Å; D64-H66 PolarHBondContact OD2-CD2 2.81Å; D64-H66 IonicContact OD2-CG 3.82Å; D64-G67 PolarHBondContact O-N 2.9Å; D64-D68 PolarHBondContact N-O 2.83Å; D64-L70 HydrophobicContact CB-CD1 3.96Å; D64-L70 HydrophobicContact CB-CG 4.48Å; D64-T84 WeakPolarHBondContact OD1-CG2 3.35Å | ||
| 65 | I | 84.2 | Confident | 87.3 | Confident | 111 Ų | 111 | 43.6 Ų | 43.6 | 57% | 0.569 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.8 | 175.7 | 56.1 | 170.8 | 0 | 0 | 0 | 113 | G67 T84 | I65-G67 VanDerWaalsContact C-N 3.28Å; I65-G67 PolarHBondContact O-N 3.32Å; I65-T84 HydrophobicContact CD1-CG2 3.96Å; I65-T84 HydrophobicContact CG1-CG2 3.85Å; I65-T84 HydrophobicContact CG2-CG2 4.02Å; I65-T84 WeakPolarHBondContact CG2-O 3.37Å |
| 66 | H | 82.4 | Confident | 87.7 | Confident | 143 Ų | 143 | 41.6 Ų | 41.6 | 66% | 0.662 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.7 | 176.2 | -61.8 | -57.9 | 0 | 0 | 0 | 113.6 | D64 | D64-H66 PolarHBondContact O-N 2.96Å; D64-H66 IonicContact OD2-CD2 3.17Å; D64-H66 PolarHBondContact OD2-CD2 2.81Å; D64-H66 IonicContact OD2-CG 3.82Å |
| 67 | G | 78.7 | Confident | 87.9 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 93.3 | 5.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D64 I65 L109 | D64-G67 PolarHBondContact O-N 2.9Å; I65-G67 VanDerWaalsContact C-N 3.28Å; I65-G67 PolarHBondContact O-N 3.32Å; G67-L109 WeakPolarHBondContact O-CB 3.33Å; G67-L109 WeakPolarHBondContact O-CD1 2.91Å; G67-L109 VanDerWaalsContact O-CG 3.24Å; G67-L109 WeakPolarHBondContact O-CG 3.43Å |
| 68 | D | 84.1 | Confident | 88.3 | Confident | 24 Ų | 24 | 37.3 Ų | 37.3 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | trans | -84.1 | 138.4 | 179.6 | -69 | -8.7 | 0 | 0 | 0 | 111.5 | A63 D64 L70 T106 D107 | A63-D68 WeakPolarHBondContact CA-O 3.44Å; D64-D68 PolarHBondContact N-O 2.83Å; D68-L70 HydrophobicContact CB-CD2 4.27Å; D68-L70 HydrophobicContact CB-CG 4.33Å; D68-T106 VanDerWaalsContact OD1-CA 3.27Å; D68-T106 WeakPolarHBondContact OD1-CA 3.11Å; D68-D107 PolarHBondContact OD1-N 2.97Å | ||
| 69 | L | 87.4 | Confident | 88.4 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 109.2 | 168.8 | -172.2 | 66.7 | 0 | 0 | 0 | 109.4 | Y62 F92 A103 F104 G105 T108 | Y62-L69 WeakPolarHBondContact O-CA 3.41Å; L69-F92 HydrophobicContact CD1-CB 4.05Å; L69-F92 HydrophobicContact CD1-CD2 3.41Å; L69-F92 VanDerWaalsContact CD1-CD2 3.41Å; L69-F92 HydrophobicContact CD1-CE2 4.09Å; L69-F92 HydrophobicContact CD1-CG 3.91Å; L69-A103 WeakPolarHBondContact CD2-O 3.38Å; L69-F104 HydrophobicContact CD1-CE1 4.41Å; L69-F104 HydrophobicContact CD2-CD1 4.2Å; L69-F104 HydrophobicContact CD2-CE1 3.83Å; L69-F104 HydrophobicContact CD2-CE2 4.28Å; L69-F104 HydrophobicContact CD2-CZ 3.83Å; L69-F104 HydrophobicContact CG-CD1 3.87Å; L69-F104 HydrophobicContact CG-CE1 3.64Å; L69-F104 HydrophobicContact CG-CZ 4.17Å; L69-F104 WeakPolarHBondContact O-CA 3.3Å; L69-F104 WeakPolarHBondContact O-CD1 3.42Å; L69-G105 PolarHBondContact O-N 2.96Å; L69-T108 WeakPolarHBondContact CB-OG1 3.43Å; L69-T108 PolarHBondContact N-OG1 2.84Å |
| 70 | L | 88.4 | Confident | 88.5 | Confident | 51 Ų | 51 | 45.1 Ų | 45.1 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.4 | -179.3 | -60.8 | -179.1 | 0 | 0 | 0 | 110.4 | G61 Y62 D64 D68 | G61-L70 CarbonylContact C-O 3.53Å; G61-L70 WeakPolarHBondContact CA-O 3.27Å; Y62-L70 HydrophobicContact CD1-CB 4Å; Y62-L70 WeakPolarHBondContact CD1-O 3.35Å; Y62-L70 HydrophobicContact CE1-CB 3.56Å; Y62-L70 HydrophobicContact CE1-CD1 4.37Å; Y62-L70 HydrophobicContact CE2-CD1 4.34Å; Y62-L70 PolarHBondContact N-O 3.07Å; Y62-L70 PolarHBondContact O-N 2.82Å; D64-L70 HydrophobicContact CB-CD1 3.96Å; D64-L70 HydrophobicContact CB-CG 4.48Å; D68-L70 HydrophobicContact CB-CD2 4.27Å; D68-L70 HydrophobicContact CB-CG 4.33Å |
| 71 | P | 89.8 | Confident | 88.5 | Confident | 25 Ų | 25 | 45 Ų | 45 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 148.4 | 179.6 | 31.5 | -35.9 | 0 | 0 | 0 | 111.7 | F104 M135 | P71-F104 HydrophobicContact CB-CD1 4.19Å; P71-F104 HydrophobicContact CB-CE1 4.31Å; P71-M135 HydrophobicContact CB-CG 4.34Å; P71-M135 HydrophobicContact CG-CE 3.96Å; P71-M135 HydrophobicContact CG-CG 4.45Å |
| 72 | I | 90.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 110 | 161.9 | -48.4 | -176.1 | 0 | 0 | 0 | 107.2 | F40 F43 V60 Y62 Y78 A81 I91 | F40-I72 HydrophobicContact CD2-CB 4.42Å; F40-I72 HydrophobicContact CD2-CG2 3.39Å; F40-I72 HydrophobicContact CE2-CB 3.99Å; F40-I72 HydrophobicContact CE2-CG2 3.43Å; F40-I72 VanDerWaalsContact CE2-CG2 3.43Å; F40-I72 WeakPolarHBondContact CE2-O 3.4Å; F40-I72 HydrophobicContact CG-CG2 4.37Å; F40-I72 HydrophobicContact CZ-CG2 4.44Å; F40-I72 VanDerWaalsContact CZ-O 3.29Å; F40-I72 WeakPolarHBondContact CZ-O 3.45Å; F43-I72 HydrophobicContact CE1-CD1 4.41Å; V60-I72 HydrophobicContact CB-CB 4.43Å; V60-I72 HydrophobicContact CG1-CB 4.16Å; V60-I72 HydrophobicContact CG1-CD1 4.17Å; V60-I72 HydrophobicContact CG1-CG1 4.35Å; V60-I72 PolarHBondContact O-N 2.79Å; Y62-I72 HydrophobicContact CD1-CD1 4.09Å; Y62-I72 HydrophobicContact CD1-CG1 3.59Å; Y62-I72 HydrophobicContact CE1-CG1 4.3Å; Y62-I72 HydrophobicContact CG-CD1 4.48Å; Y62-I72 HydrophobicContact CG-CG1 4.42Å; I72-Y78 HydrophobicContact CG2-CD2 4.44Å; I72-A81 HydrophobicContact CD1-CB 3.83Å; I72-A81 HydrophobicContact CG1-CB 4.37Å; I72-I91 HydrophobicContact CD1-CD1 3.73Å |
| 73 | N | 87.6 | Confident | 88.4 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 25% | 0.251 | 27% | 0.265 | S | S | . | . | trans | -138.2 | 3.2 | -176.6 | 64.7 | -10.5 | 0 | 0 | 0 | 113.8 | N77 P136 | N73-N77 PolarHBondContact OD1-ND2 2.92Å; N73-P136 PolarHBondContact ND2-O 3.39Å | ||
| 74 | N | 87.9 | Confident | 88.3 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -155.7 | 170.6 | 176.1 | 66.6 | 7.5 | 0 | 0 | 0 | 110.4 | D76 N77 Y78 | N74-D76 VanDerWaalsContact C-N 3.31Å; N74-D76 PolarHBondContact O-N 3.35Å; N74-D76 PolarHBondContact OD1-N 2.68Å; N74-N77 WeakPolarHBondContact OD1-CB 3.18Å; N74-N77 PolarHBondContact OD1-N 3.33Å; N74-N77 PolarHBondContact OD1-ND2 2.9Å; N74-N77 VanDerWaalsContact OD1-ND2 3.17Å; N74-Y78 PolarHBondContact O-N 3.43Å; N74-Y78 VanDerWaalsContact O-N 3.14Å |
| 75 | D | 89.2 | Confident | 88.2 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | -179.9 | -74.5 | -19.5 | 0 | 0 | 0 | 112.5 | F40 Y78 H79 | F40-D75 WeakPolarHBondContact CB-OD1 3.34Å; F40-D75 PolarHBondContact N-OD1 2.83Å; D75-Y78 WeakPolarHBondContact O-CB 3.17Å; D75-Y78 PolarHBondContact O-N 2.64Å; D75-H79 PolarHBondContact O-N 2.78Å; D75-H79 PolarHBondContact O-ND1 2.93Å |
| 76 | D | 88.3 | Confident | 88.1 | Confident | 119 Ų | 119 | 50.2 Ų | 50.2 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | -178.7 | -64.6 | -46.4 | 0 | 0 | 0 | 112.4 | N74 Y78 H79 K80 | N74-D76 VanDerWaalsContact C-N 3.31Å; N74-D76 PolarHBondContact O-N 3.35Å; N74-D76 PolarHBondContact OD1-N 2.68Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 2.99Å; D76-H79 PolarHBondContact O-N 3.19Å; D76-K80 VanDerWaalsContact O-CB 3.32Å; D76-K80 WeakPolarHBondContact O-CB 3.22Å; D76-K80 PolarHBondContact O-N 2.97Å |
| 77 | N | 90.5 | Very high | 88 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -32.7 | 176.4 | -72.2 | -27.9 | 0 | 0 | 0 | 111 | N73 N74 A81 | N73-N77 PolarHBondContact OD1-ND2 2.92Å; N74-N77 WeakPolarHBondContact OD1-CB 3.18Å; N74-N77 PolarHBondContact OD1-N 3.33Å; N74-N77 PolarHBondContact OD1-ND2 2.9Å; N74-N77 VanDerWaalsContact OD1-ND2 3.17Å; N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 2.87Å |
| 78 | Y | 92.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -49.9 | 172.7 | 175.3 | -123.3 | 0 | 0 | 0 | 111.9 | L32 P37 F40 F43 I72 N74 D75 D76 K80 A81 V82 | L32-Y78 HydrophobicContact CD2-CE2 4.48Å; L32-Y78 WeakPolarHBondContact CD2-OH 3.46Å; P37-Y78 HydrophobicContact CB-CE1 3.9Å; P37-Y78 VanDerWaalsContact O-CE1 3.29Å; P37-Y78 WeakPolarHBondContact O-CE1 3.44Å; P37-Y78 PolarHBondContact O-OH 3.45Å; F40-Y78 HydrophobicContact CB-CG 4.45Å; F43-Y78 HydrophobicContact CB-CD2 4.33Å; F43-Y78 HydrophobicContact CB-CE1 4.22Å; F43-Y78 HydrophobicContact CB-CE2 3.69Å; F43-Y78 AromaticContact CD1-CD2 3.72Å; F43-Y78 HydrophobicContact CD1-CD2 3.72Å; F43-Y78 AromaticContact CD1-CE2 3.4Å; F43-Y78 HydrophobicContact CD1-CE2 3.4Å; F43-Y78 VanDerWaalsContact CD1-CE2 3.4Å; F43-Y78 AromaticContact CD2-CE2 3.64Å; F43-Y78 HydrophobicContact CD2-CE2 3.64Å; F43-Y78 AromaticContact CD2-CZ 3.91Å; F43-Y78 WeakPolarHBondContact CD2-OH 3.49Å; F43-Y78 HydrophobicContact CE1-CD2 4.15Å; F43-Y78 AromaticContact CE1-CE2 3.83Å; F43-Y78 HydrophobicContact CE1-CE2 3.83Å; F43-Y78 HydrophobicContact CE2-CE2 4.07Å; F43-Y78 HydrophobicContact CG-CD2 4.02Å; F43-Y78 AromaticContact CG-CE2 3.28Å; F43-Y78 HydrophobicContact CG-CE2 3.28Å; F43-Y78 AromaticContact CG-CZ 3.66Å; F43-Y78 HydrophobicContact CZ-CE2 4.15Å; I72-Y78 HydrophobicContact CG2-CD2 4.44Å; N74-Y78 PolarHBondContact O-N 3.43Å; N74-Y78 VanDerWaalsContact O-N 3.14Å; D75-Y78 WeakPolarHBondContact O-CB 3.17Å; D75-Y78 PolarHBondContact O-N 2.64Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 2.99Å; Y78-K80 VanDerWaalsContact C-N 3.28Å; Y78-K80 PolarHBondContact O-N 3.15Å; Y78-A81 WeakPolarHBondContact O-CB 3.49Å; Y78-A81 PolarHBondContact O-N 3.45Å; Y78-V82 HydrophobicContact CD2-CG2 4.19Å; Y78-V82 HydrophobicContact CE2-CG2 3.76Å; Y78-V82 WeakPolarHBondContact O-CG2 3.36Å; Y78-V82 PolarHBondContact O-N 3.04Å |
| 79 | H | 91.1 | Very high | 89 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 175.2 | -77.9 | 81.2 | 0 | 0 | 0 | 112 | D75 D76 S83 | D75-H79 PolarHBondContact O-N 2.78Å; D75-H79 PolarHBondContact O-ND1 2.93Å; D76-H79 PolarHBondContact O-N 3.19Å; H79-S83 VanDerWaalsContact O-CB 3.22Å; H79-S83 WeakPolarHBondContact O-CB 3.34Å; H79-S83 PolarHBondContact O-N 3.06Å; H79-S83 PolarHBondContact O-OG 3.46Å |
| 80 | K | 90.8 | Very high | 89.2 | Confident | 121 Ų | 121 | 54 Ų | 54 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 174.6 | -173.2 | 71.6 | -179.8 | -168.4 | 0 | 111.6 | D76 Y78 S83 T84 | D76-K80 VanDerWaalsContact O-CB 3.32Å; D76-K80 WeakPolarHBondContact O-CB 3.22Å; D76-K80 PolarHBondContact O-N 2.97Å; Y78-K80 VanDerWaalsContact C-N 3.28Å; Y78-K80 PolarHBondContact O-N 3.15Å; K80-S83 PolarHBondContact O-N 3.29Å; K80-T84 WeakPolarHBondContact O-CB 3.45Å; K80-T84 PolarHBondContact O-N 3.22Å; K80-T84 PolarHBondContact O-OG1 3.09Å |
| 81 | A | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y62 I72 N77 Y78 A85 L89 | Y62-A81 HydrophobicContact CD1-CB 3.63Å; Y62-A81 HydrophobicContact CD2-CB 3.72Å; Y62-A81 HydrophobicContact CE1-CB 3.81Å; Y62-A81 HydrophobicContact CE2-CB 3.92Å; Y62-A81 HydrophobicContact CG-CB 3.55Å; I72-A81 HydrophobicContact CD1-CB 3.83Å; I72-A81 HydrophobicContact CG1-CB 4.37Å; N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 2.87Å; Y78-A81 WeakPolarHBondContact O-CB 3.49Å; Y78-A81 PolarHBondContact O-N 3.45Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.92Å; A81-L89 HydrophobicContact CB-CD1 4.02Å |
| 82 | V | 92 | Very high | 89.6 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 177.9 | 173.2 | 0 | 0 | 0 | 0 | 112 | M17 L32 R34 P37 Y78 L89 | M17-V82 HydrophobicContact CE-CB 4.25Å; M17-V82 HydrophobicContact CE-CG1 3.93Å; M17-V82 HydrophobicContact CE-CG2 4.15Å; L32-V82 HydrophobicContact CD2-CG2 3.99Å; R34-V82 HydrophobicContact CG-CG1 4.23Å; P37-V82 HydrophobicContact CB-CG1 4.18Å; P37-V82 HydrophobicContact CB-CG2 4.15Å; Y78-V82 HydrophobicContact CD2-CG2 4.19Å; Y78-V82 HydrophobicContact CE2-CG2 3.76Å; Y78-V82 WeakPolarHBondContact O-CG2 3.36Å; Y78-V82 PolarHBondContact O-N 3.04Å; V82-L89 HydrophobicContact CG2-CD2 4.34Å |
| 83 | S | 90.3 | Very high | 89.7 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 69% | 0.685 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72.7 | -33.4 | -177.9 | -58.7 | 0 | 0 | 0 | 0 | 113 | H79 K80 | H79-S83 VanDerWaalsContact O-CB 3.22Å; H79-S83 WeakPolarHBondContact O-CB 3.34Å; H79-S83 PolarHBondContact O-N 3.06Å; H79-S83 PolarHBondContact O-OG 3.46Å; K80-S83 PolarHBondContact O-N 3.29Å |
| 84 | T | 88.6 | Confident | 89.7 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 18% | 0.184 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -91.4 | -24.6 | -175 | -40.3 | 0 | 0 | 0 | 0 | 112.2 | D64 I65 K80 N86 | D64-T84 WeakPolarHBondContact OD1-CG2 3.35Å; I65-T84 HydrophobicContact CD1-CG2 3.96Å; I65-T84 HydrophobicContact CG1-CG2 3.85Å; I65-T84 HydrophobicContact CG2-CG2 4.02Å; I65-T84 WeakPolarHBondContact CG2-O 3.37Å; K80-T84 WeakPolarHBondContact O-CB 3.45Å; K80-T84 PolarHBondContact O-N 3.22Å; K80-T84 PolarHBondContact O-OG1 3.09Å; T84-N86 PolarHBondContact O-N 3.18Å |
| 85 | A | 86.2 | Confident | 89.7 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | trans | -68.3 | 113.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | M17 R34 A81 L89 | M17-A85 HydrophobicContact SD-CB 3.68Å; R34-A85 PolarHBondContact NH2-O 2.59Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.92Å; A85-L89 HydrophobicContact CB-CB 3.62Å; A85-L89 HydrophobicContact CB-CD1 3.84Å; A85-L89 HydrophobicContact CB-CG 4.28Å | ||
| 86 | N | 81.7 | Confident | 89.3 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | trans | -142.7 | 123.1 | 175.5 | -166.3 | 16.5 | 0 | 0 | 0 | 112.2 | T84 | T84-N86 PolarHBondContact O-N 3.18Š| ||
| 87 | P | 81.9 | Confident | 88.7 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | S | Bend | cis | -83.3 | -7 | -9.8 | 35.6 | -36.4 | 0 | 0 | 0 | 113.8 | ||
| 88 | L | 88.9 | Confident | 87.8 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.3 | -167.1 | 179.8 | 74.3 | 0 | 0 | 0 | 111.4 | E18 K20 R90 | E18-L88 HydrophobicContact CB-CD1 3.74Å; E18-L88 HydrophobicContact CG-CD1 3.67Å; E18-L88 WeakPolarHBondContact O-CA 3.42Å; K20-L88 HydrophobicContact CB-CD1 3.88Å; K20-L88 HydrophobicContact CB-CD2 4.06Å; K20-L88 HydrophobicContact CB-CG 4.23Å; K20-L88 HydrophobicContact CD-CD2 4.4Å; L88-R90 HydrophobicContact CD2-CG 3.99Å; L88-R90 HydrophobicContact CG-CG 4.24Å; L88-R90 PolarHBondContact O-N 3.25Å |
| 89 | L | 93.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 113.7 | 168.7 | 177.2 | 56.9 | 0 | 0 | 0 | 109.4 | M17 E18 V19 K20 F43 A81 V82 A85 I91 | M17-L89 HydrophobicContact CE-CB 3.7Å; M17-L89 HydrophobicContact CE-CD2 3.7Å; M17-L89 HydrophobicContact CE-CG 4.33Å; M17-L89 HydrophobicContact SD-CB 3.99Å; E18-L89 PolarHBondContact O-N 3.13Å; V19-L89 CarbonylContact C-O 3.57Å; V19-L89 WeakPolarHBondContact CA-O 3.49Å; V19-L89 HydrophobicContact CG1-CB 4.48Å; V19-L89 HydrophobicContact CG1-CD2 4.46Å; V19-L89 HydrophobicContact CG1-CG 4.39Å; V19-L89 HydrophobicContact CG2-CB 4.33Å; V19-L89 HydrophobicContact CG2-CD2 4.32Å; K20-L89 PolarHBondContact N-O 3.29Å; F43-L89 HydrophobicContact CZ-CD2 4.42Å; A81-L89 HydrophobicContact CB-CD1 4.02Å; V82-L89 HydrophobicContact CG2-CD2 4.34Å; A85-L89 HydrophobicContact CB-CB 3.62Å; A85-L89 HydrophobicContact CB-CD1 3.84Å; A85-L89 HydrophobicContact CB-CG 4.28Å; L89-I91 HydrophobicContact CD1-CD1 3.79Å; L89-I91 HydrophobicContact CD2-CD1 4.01Å; L89-I91 HydrophobicContact CD2-CG1 4.35Å; L89-I91 HydrophobicContact CG-CD1 3.73Å; L89-I91 HydrophobicContact CG-CG1 4Å |
| 90 | R | 93.4 | Very high | 85.4 | Confident | 139 Ų | 139 | 61.7 Ų | 61.7 | 53% | 0.525 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 108.8 | 179.2 | -63.8 | 174.2 | -178.1 | 170.1 | 1.8 | 109.3 | K20 Y62 A63 L88 F92 | K20-R90 WeakPolarHBondContact O-CA 3.45Å; Y62-R90 CarbonylContact C-O 3.58Å; Y62-R90 VanDerWaalsContact CA-O 3.25Å; Y62-R90 WeakPolarHBondContact CA-O 3.48Å; A63-R90 HydrophobicContact CB-CB 3.98Å; A63-R90 PolarHBondContact N-O 3.47Å; L88-R90 HydrophobicContact CD2-CG 3.99Å; L88-R90 HydrophobicContact CG-CG 4.24Å; L88-R90 PolarHBondContact O-N 3.25Å; R90-F92 HydrophobicContact CB-CE2 4.37Å |
| 91 | I | 94.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 140.1 | 178.9 | -60 | -57.9 | 0 | 0 | 0 | 110.7 | V19 K20 S21 K22 F43 L47 V60 G61 I72 L89 I93 | V19-I91 HydrophobicContact CG1-CG1 3.85Å; K20-I91 PolarHBondContact O-N 3.01Å; S21-I91 CarbonylContact C-O 3.57Å; S21-I91 WeakPolarHBondContact CA-O 3.17Å; K22-I91 PolarHBondContact N-O 2.76Å; F43-I91 HydrophobicContact CE1-CD1 4.37Å; F43-I91 HydrophobicContact CZ-CD1 4.36Å; F43-I91 HydrophobicContact CZ-CG1 4.14Å; L47-I91 HydrophobicContact CD1-CG2 4Å; L47-I91 HydrophobicContact CD2-CG2 4.41Å; V60-I91 HydrophobicContact CG1-CG2 3.8Å; G61-I91 CarbonylContact O-C 3.51Å; G61-I91 VanDerWaalsContact O-CA 3.29Å; G61-I91 WeakPolarHBondContact O-CA 3.35Å; I72-I91 HydrophobicContact CD1-CD1 3.73Å; L89-I91 HydrophobicContact CD1-CD1 3.79Å; L89-I91 HydrophobicContact CD2-CD1 4.01Å; L89-I91 HydrophobicContact CD2-CG1 4.35Å; L89-I91 HydrophobicContact CG-CD1 3.73Å; L89-I91 HydrophobicContact CG-CG1 4Å; I91-I93 HydrophobicContact CG2-CG1 3.99Å |
| 92 | F | 92.1 | Very high | 82.9 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 26% | 0.259 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.6 | 170.6 | -63.2 | -99.3 | 0 | 0 | 0 | 108.5 | K22 G61 A63 L69 R90 L109 | K22-F92 HydrophobicContact CB-CD1 4.31Å; K22-F92 HydrophobicContact CD-CD1 4.02Å; K22-F92 HydrophobicContact CD-CE1 4.06Å; G61-F92 PolarHBondContact N-O 3.38Å; G61-F92 PolarHBondContact O-N 3.14Å; A63-F92 HydrophobicContact CB-CE2 4.18Å; L69-F92 HydrophobicContact CD1-CB 4.05Å; L69-F92 HydrophobicContact CD1-CD2 3.41Å; L69-F92 VanDerWaalsContact CD1-CD2 3.41Å; L69-F92 HydrophobicContact CD1-CE2 4.09Å; L69-F92 HydrophobicContact CD1-CG 3.91Å; R90-F92 HydrophobicContact CB-CE2 4.37Å; F92-L109 HydrophobicContact CE2-CD2 4.3Å; F92-L109 HydrophobicContact CZ-CD2 3.98Å |
| 93 | I | 92 | Very high | 81.6 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.6 | 178.4 | -52.2 | -177.4 | 0 | 0 | 0 | 107.5 | S21 K22 F23 L47 H51 I53 V58 L59 I91 | S21-I93 WeakPolarHBondContact OG-CD1 3.34Å; K22-I93 PolarHBondContact O-N 2.71Å; F23-I93 HydrophobicContact CB-CB 4.19Å; F23-I93 HydrophobicContact CD2-CB 3.84Å; F23-I93 HydrophobicContact CD2-CG2 3.61Å; F23-I93 HydrophobicContact CE2-CG2 4.16Å; F23-I93 HydrophobicContact CG-CB 4.46Å; F23-I93 HydrophobicContact CG-CG2 4.48Å; L47-I93 HydrophobicContact CB-CD1 4Å; L47-I93 HydrophobicContact CD1-CD1 4.2Å; L47-I93 HydrophobicContact CD2-CD1 4.24Å; L47-I93 HydrophobicContact CG-CD1 4.39Å; H51-I93 WeakPolarHBondContact CD2-CD1 3.49Å; I53-I93 HydrophobicContact CD1-CG2 4.41Å; V58-I93 HydrophobicContact CB-CG2 3.53Å; V58-I93 HydrophobicContact CG1-CG2 3.76Å; V58-I93 HydrophobicContact CG2-CG2 3.76Å; L59-I93 WeakPolarHBondContact O-CA 3.18Å; I91-I93 HydrophobicContact CG2-CG1 3.99Å |
| 94 | Q | 88 | Confident | 80.4 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.5 | 174.8 | -172.4 | 163.9 | -1.3 | 0 | 0 | 108.2 | V58 L59 E98 | V58-Q94 CarbonylContact C-O 3.6Å; V58-Q94 WeakPolarHBondContact CA-O 3.18Å; L59-Q94 PolarHBondContact N-O 3.17Å; L59-Q94 PolarHBondContact O-N 2.76Å; L59-Q94 VanDerWaalsContact O-N 3.07Å; Q94-E98 PolarHBondContact NE2-O 2.91Å |
| 95 | K | 86.7 | Confident | 79.2 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 143 | 173.2 | -57.4 | -169.7 | -163.1 | 158.6 | 0 | 109.9 | F23 V56 E97 E98 A99 | F23-K95 HydrophobicContact CE2-CG 4.06Å; F23-K95 HydrophobicContact CZ-CG 4.07Å; V56-K95 HydrophobicContact CG1-CD 4.28Å; V56-K95 HydrophobicContact CG1-CG 4.09Å; K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CG 3.83Å; K95-E97 HydrophobicContact CD-CG 3.92Å; K95-E97 WeakPolarHBondContact CD-OE1 3.48Å; K95-E97 WeakPolarHBondContact CE-OE1 3.3Å; K95-E97 IonicContact NZ-OE1 3.09Å; K95-E97 PolarHBondContact NZ-OE1 2.78Å; K95-E97 PolarHBondContact O-N 2.86Å; K95-E98 HydrophobicContact CB-CB 4.31Å; K95-E98 WeakPolarHBondContact CD-OE1 3.44Å; K95-E98 VanDerWaalsContact CE-OE1 3.3Å; K95-E98 WeakPolarHBondContact CE-OE1 3.13Å; K95-E98 IonicContact NZ-OE1 3.51Å; K95-E98 PolarHBondContact NZ-OE1 3.37Å; K95-E98 CarbonylContact O-C 3.14Å; K95-E98 PolarHBondContact O-N 2.82Å; K95-E98 VanDerWaalsContact O-N 3.14Å; K95-A99 WeakPolarHBondContact O-CA 3.29Å; K95-A99 WeakPolarHBondContact O-CB 3.47Å; K95-A99 PolarHBondContact O-N 3.14Å |
| 96 | K | 81.1 | Confident | 77.9 | Confident | 108 Ų | 108 | 62.6 Ų | 62.6 | 47% | 0.47 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -63.9 | -32.5 | 179.5 | -170 | -179.5 | 176.8 | 179.1 | 0 | 113.2 | D57 A99 | D57-K96 HydrophobicContact CB-CB 3.93Å; D57-K96 HydrophobicContact CB-CD 3.77Å; D57-K96 WeakPolarHBondContact O-CB 3.36Å; D57-K96 PolarHBondContact O-N 3.3Å; D57-K96 WeakPolarHBondContact OD2-CD 2.99Å; D57-K96 WeakPolarHBondContact OD2-CE 3.47Å; D57-K96 IonicContact OD2-NZ 2.71Å; D57-K96 PolarHBondContact OD2-NZ 3.4Å; K96-A99 WeakPolarHBondContact O-CB 3.35Å; K96-A99 PolarHBondContact O-N 2.79Å |
| 97 | E | 75.1 | Confident | 76.7 | Confident | 150 Ų | 150 | 60 Ų | 60 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -68 | -31.5 | 173.7 | 50.1 | 169.9 | -166.6 | 0 | 0 | 113.6 | K95 | K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CG 3.83Å; K95-E97 HydrophobicContact CD-CG 3.92Å; K95-E97 WeakPolarHBondContact CD-OE1 3.48Å; K95-E97 WeakPolarHBondContact CE-OE1 3.3Å; K95-E97 IonicContact NZ-OE1 3.09Å; K95-E97 PolarHBondContact NZ-OE1 2.78Å; K95-E97 PolarHBondContact O-N 2.86Å |
| 98 | E | 72.1 | Confident | 75.7 | Confident | 117 Ų | 117 | 56.1 Ų | 56.1 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -102.7 | 12.1 | 179.3 | -66 | 168.1 | -154.7 | 0 | 0 | 111.5 | Q94 K95 D100 | Q94-E98 PolarHBondContact NE2-O 2.91Å; K95-E98 HydrophobicContact CB-CB 4.31Å; K95-E98 WeakPolarHBondContact CD-OE1 3.44Å; K95-E98 VanDerWaalsContact CE-OE1 3.3Å; K95-E98 WeakPolarHBondContact CE-OE1 3.13Å; K95-E98 IonicContact NZ-OE1 3.51Å; K95-E98 PolarHBondContact NZ-OE1 3.37Å; K95-E98 CarbonylContact O-C 3.14Å; K95-E98 PolarHBondContact O-N 2.82Å; K95-E98 VanDerWaalsContact O-N 3.14Å; E98-D100 PolarHBondContact O-N 2.92Å |
| 99 | A | 65.8 | Low | 74.2 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | trans | -73.9 | 115.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L59 K95 K96 Y101 | L59-A99 HydrophobicContact CD1-CB 4.39Å; K95-A99 WeakPolarHBondContact O-CA 3.29Å; K95-A99 WeakPolarHBondContact O-CB 3.47Å; K95-A99 PolarHBondContact O-N 3.14Å; K96-A99 WeakPolarHBondContact O-CB 3.35Å; K96-A99 PolarHBondContact O-N 2.79Å; A99-Y101 HydrophobicContact CB-CD2 3.98Å; A99-Y101 HydrophobicContact CB-CE2 3.41Å; A99-Y101 VanDerWaalsContact CB-CE2 3.41Å; A99-Y101 WeakPolarHBondContact O-CD2 3.49Å; A99-Y101 WeakPolarHBondContact O-CE2 3.31Å; A99-Y101 PolarHBondContact O-N 2.76Å | ||
| 100 | D | 66.6 | Low | 72.4 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 35% | 0.348 | 32% | 0.32 | S | S | . | . | trans | -87.3 | 88.8 | 169 | -178.9 | 7 | 0 | 0 | 0 | 108.7 | E98 S102 A103 | E98-D100 PolarHBondContact O-N 2.92Å; D100-S102 PolarHBondContact O-N 3.19Å; D100-S102 VanDerWaalsContact O-N 3.13Å; D100-S102 WeakPolarHBondContact OD1-CB 3.32Å; D100-S102 PolarHBondContact OD1-N 3.33Å; D100-S102 PolarHBondContact OD1-OG 3.2Å; D100-S102 PolarHBondContact OD2-OG 3.4Å; D100-A103 WeakPolarHBondContact O-CB 3.29Å; D100-A103 PolarHBondContact O-N 3.35Å | ||
| 101 | Y | 65.6 | Low | 70.6 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -61.8 | -17.6 | -179.8 | -67.3 | -93.6 | 0 | 0 | 0 | 112.8 | L59 A99 A103 F104 V132 I133 M135 | L59-Y101 HydrophobicContact CD1-CD1 3.87Å; L59-Y101 HydrophobicContact CD1-CE1 3.3Å; A99-Y101 HydrophobicContact CB-CD2 3.98Å; A99-Y101 HydrophobicContact CB-CE2 3.41Å; A99-Y101 VanDerWaalsContact CB-CE2 3.41Å; A99-Y101 WeakPolarHBondContact O-CD2 3.49Å; A99-Y101 WeakPolarHBondContact O-CE2 3.31Å; A99-Y101 PolarHBondContact O-N 2.76Å; Y101-A103 PolarHBondContact O-N 2.93Å; Y101-F104 PolarHBondContact O-N 3.43Å; Y101-V132 HydrophobicContact CD2-CG1 3.49Å; Y101-V132 VanDerWaalsContact CD2-CG1 3.49Å; Y101-V132 HydrophobicContact CE2-CG1 3.2Å; Y101-I133 WeakPolarHBondContact CB-O 3.47Å; Y101-I133 VanDerWaalsContact CG-O 3.3Å; Y101-M135 HydrophobicContact CD1-CG 3.84Å; Y101-M135 VanDerWaalsContact CD1-N 3.31Å; Y101-M135 HydrophobicContact CD1-SD 4.12Å; Y101-M135 HydrophobicContact CE1-CG 4.3Å |
| 102 | S | 65.1 | Low | 68.7 | Low | 93 Ų | 93 | 68.6 Ų | 68.6 | 65% | 0.65 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -71.3 | -12.5 | 172.6 | 81.7 | 0 | 0 | 0 | 0 | 113.6 | D100 F104 | D100-S102 PolarHBondContact O-N 3.19Å; D100-S102 VanDerWaalsContact O-N 3.13Å; D100-S102 WeakPolarHBondContact OD1-CB 3.32Å; D100-S102 PolarHBondContact OD1-N 3.33Å; D100-S102 PolarHBondContact OD1-OG 3.2Å; D100-S102 PolarHBondContact OD2-OG 3.4Å; S102-F104 PolarHBondContact O-N 3.27Å |
| 103 | A | 65.7 | Low | 66.8 | Low | 8 Ų | 8 | 74.5 Ų | 74.5 | 7% | 0.066 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -75.1 | -5.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | L69 D100 Y101 T108 | L69-A103 WeakPolarHBondContact CD2-O 3.38Å; D100-A103 WeakPolarHBondContact O-CB 3.29Å; D100-A103 PolarHBondContact O-N 3.35Å; Y101-A103 PolarHBondContact O-N 2.93Å; A103-T108 WeakPolarHBondContact O-CB 3.33Å; A103-T108 VanDerWaalsContact O-CG2 3.27Å; A103-T108 WeakPolarHBondContact O-CG2 3.46Å |
| 104 | F | 64.9 | Low | 64.6 | Low | 24 Ų | 24 | 80.3 Ų | 80.3 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -105.8 | 132.8 | -179.2 | -70.8 | -90.4 | 0 | 0 | 0 | 111.4 | L59 L69 P71 Y101 S102 M135 | L59-F104 HydrophobicContact CD2-CD2 4.37Å; L59-F104 HydrophobicContact CD2-CE1 3.81Å; L59-F104 HydrophobicContact CD2-CE2 3.45Å; L59-F104 VanDerWaalsContact CD2-CE2 3.45Å; L59-F104 HydrophobicContact CD2-CZ 3.13Å; L69-F104 HydrophobicContact CD1-CE1 4.41Å; L69-F104 HydrophobicContact CD2-CD1 4.2Å; L69-F104 HydrophobicContact CD2-CE1 3.83Å; L69-F104 HydrophobicContact CD2-CE2 4.28Å; L69-F104 HydrophobicContact CD2-CZ 3.83Å; L69-F104 HydrophobicContact CG-CD1 3.87Å; L69-F104 HydrophobicContact CG-CE1 3.64Å; L69-F104 HydrophobicContact CG-CZ 4.17Å; L69-F104 WeakPolarHBondContact O-CA 3.3Å; L69-F104 WeakPolarHBondContact O-CD1 3.42Å; P71-F104 HydrophobicContact CB-CD1 4.19Å; P71-F104 HydrophobicContact CB-CE1 4.31Å; Y101-F104 PolarHBondContact O-N 3.43Å; S102-F104 PolarHBondContact O-N 3.27Å; F104-M135 HydrophobicContact CB-CE 3.67Å; F104-M135 HydrophobicContact CB-SD 3.84Å; F104-M135 HydrophobicContact CD2-SD 4.45Å; F104-M135 HydrophobicContact CG-CE 4.33Å; F104-M135 HydrophobicContact CG-SD 4.21Å |
| 105 | G | 63.4 | Low | 62.7 | Low | 24 Ų | 24 | 82.9 Ų | 82.9 | 25% | 0.247 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | 126.3 | -164.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L69 T108 | L69-G105 PolarHBondContact O-N 2.96Å; G105-T108 WeakPolarHBondContact O-CB 3.45Å; G105-T108 WeakPolarHBondContact O-CG2 3.1Å; G105-T108 PolarHBondContact O-OG1 3.36Å |
| 106 | T | 57.7 | Low | 60.8 | Low | 95 Ų | 95 | 88 Ų | 88 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 134.4 | -164.7 | -41.8 | 0 | 0 | 0 | 0 | 114.7 | D68 T108 K111 | D68-T106 VanDerWaalsContact OD1-CA 3.27Å; D68-T106 WeakPolarHBondContact OD1-CA 3.11Å; T106-T108 PolarHBondContact O-N 2.92Å; T106-K111 PolarHBondContact O-NZ 3.39Å |
| 107 | D | 56.3 | Low | 59.2 | Low | 71 Ų | 71 | 88.4 Ų | 88.4 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 19.7 | -177 | -58.3 | -62.7 | 0 | 0 | 0 | 115.2 | D68 L109 I110 K111 | D68-D107 PolarHBondContact OD1-N 2.97Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 2.89Å; D107-I110 HydrophobicContact CB-CD1 4.46Å; D107-I110 PolarHBondContact O-N 2.98Å; D107-K111 PolarHBondContact O-N 3.44Å |
| 108 | T | 61.4 | Low | 57.6 | Low | 18 Ų | 18 | 88.1 Ų | 88.1 | 11% | 0.11 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.1 | -30.5 | -171.4 | 39.3 | 0 | 0 | 0 | 0 | 114.2 | L69 A103 G105 T106 | L69-T108 WeakPolarHBondContact CB-OG1 3.43Å; L69-T108 PolarHBondContact N-OG1 2.84Å; A103-T108 WeakPolarHBondContact O-CB 3.33Å; A103-T108 VanDerWaalsContact O-CG2 3.27Å; A103-T108 WeakPolarHBondContact O-CG2 3.46Å; G105-T108 WeakPolarHBondContact O-CB 3.45Å; G105-T108 WeakPolarHBondContact O-CG2 3.1Å; G105-T108 PolarHBondContact O-OG1 3.36Å; T106-T108 PolarHBondContact O-N 2.92Å |
| 109 | L | 58 | Low | 56.6 | Low | 62 Ų | 62 | 88.4 Ų | 88.4 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -76.3 | -22.4 | 175.8 | -62.1 | -178.5 | 0 | 0 | 0 | 113.6 | A63 G67 F92 D107 | A63-L109 HydrophobicContact CB-CD1 3.59Å; G67-L109 WeakPolarHBondContact O-CB 3.33Å; G67-L109 WeakPolarHBondContact O-CD1 2.91Å; G67-L109 VanDerWaalsContact O-CG 3.24Å; G67-L109 WeakPolarHBondContact O-CG 3.43Å; F92-L109 HydrophobicContact CE2-CD2 4.3Å; F92-L109 HydrophobicContact CZ-CD2 3.98Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 2.89Å |
| 110 | I | 55.2 | Low | 55.7 | Low | 116 Ų | 116 | 95.2 Ų | 95.2 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -82.5 | -41.8 | -178.5 | -57.7 | 173.9 | 0 | 0 | 0 | 110.2 | D107 K112 | D107-I110 HydrophobicContact CB-CD1 4.46Å; D107-I110 PolarHBondContact O-N 2.98Å; I110-K112 VanDerWaalsContact C-N 3.29Å; I110-K112 PolarHBondContact O-N 3.31Å |
| 111 | K | 55.6 | Low | 54.6 | Low | 140 Ų | 140 | 103 Ų | 103 | 61% | 0.609 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.2 | -24.8 | -176.8 | -69.1 | 164.9 | -175.9 | 156.4 | 0 | 113.9 | T106 D107 K113 | T106-K111 PolarHBondContact O-NZ 3.39Å; D107-K111 PolarHBondContact O-N 3.44Å; K111-K113 PolarHBondContact O-N 2.7Å; K111-K113 VanDerWaalsContact O-N 3.09Å |
| 112 | K | 54.2 | Low | 53.7 | Low | 121 Ų | 121 | 107.9 Ų | 107.9 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | 3.2 | -177.9 | -102.5 | 173.8 | 177.7 | 164.6 | 0 | 116 | I110 | I110-K112 VanDerWaalsContact C-N 3.29Å; I110-K112 PolarHBondContact O-N 3.31Å |
| 113 | K | 52.5 | Low | 52.3 | Low | 182 Ų | 182 | 108.6 Ų | 108.6 | 79% | 0.791 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -17.2 | 179.6 | -165.3 | 172.9 | 176 | -176.4 | 0 | 114.7 | K111 | K111-K113 PolarHBondContact O-N 2.7Å; K111-K113 VanDerWaalsContact O-N 3.09Å |
| 114 | N | 46.3 | Very low | 51.4 | Low | 132 Ų | 132 | 115.7 Ų | 115.7 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | trans | -100.5 | 24 | -167.2 | -67.1 | 0.1 | 0 | 0 | 0 | 115.5 | L116 | N114-L116 VanDerWaalsContact C-N 3.31Å; N114-L116 PolarHBondContact O-N 3.07Å | ||
| 115 | V | 46.8 | Very low | 50.8 | Low | 108 Ų | 108 | 121.4 Ų | 121.4 | 66% | 0.655 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -78.2 | -5.4 | -167.6 | -178.4 | 0 | 0 | 0 | 0 | 114.7 | T117 | V115-T117 PolarHBondContact O-N 2.97Š|
| 116 | L | 46.9 | Very low | 50.3 | Low | 162 Ų | 162 | 132.1 Ų | 132.1 | 85% | 0.848 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -79.7 | -4.3 | -172.5 | -73.5 | 169.7 | 0 | 0 | 0 | 116.1 | N114 | N114-L116 VanDerWaalsContact C-N 3.31Å; N114-L116 PolarHBondContact O-N 3.07Å |
| 117 | T | 47.6 | Very low | 50.3 | Low | 117 Ų | 117 | 137 Ų | 137 | 72% | 0.718 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -88.6 | -9.5 | -174.6 | 49.9 | 0 | 0 | 0 | 0 | 115.7 | V115 | V115-T117 PolarHBondContact O-N 2.97Š|
| 118 | N | 42.9 | Very low | 50.5 | Low | 144 Ų | 144 | 142.8 Ų | 142.8 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -95.8 | 8.4 | -170.2 | -76.1 | 18.5 | 0 | 0 | 0 | 115.3 | L120 | N118-L120 PolarHBondContact O-N 3.27Š|
| 119 | V | 50.3 | Low | 50.4 | Low | 122 Ų | 122 | 147.4 Ų | 147.4 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -7.3 | -171.6 | -178.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 120 | L | 46.4 | Very low | 50.8 | Low | 158 Ų | 158 | 151.7 Ų | 151.7 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 22.9 | -166.5 | -65.7 | 176.8 | 0 | 0 | 0 | 116.6 | N118 | N118-L120 PolarHBondContact O-N 3.27Š|
| 121 | R | 44.7 | Very low | 51.7 | Low | 228 Ų | 228 | 152.9 Ų | 152.9 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -133.8 | 108.6 | 171.8 | -75.2 | -168.7 | 172.8 | 108 | -1 | 112.8 | D123 | R121-D123 PolarHBondContact O-N 2.88Š| ||
| 122 | P | 44.8 | Very low | 52.6 | Low | 140 Ų | 140 | 150.4 Ų | 150.4 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -84.3 | 85.4 | 168.9 | 34 | -30 | 0 | 0 | 0 | 109 | ||||
| 123 | D | 37.2 | Very low | 53.7 | Low | 108 Ų | 108 | 150.9 Ų | 150.9 | 58% | 0.578 | 76% | 0.758 | S | S | * | * | trans | -109.5 | 125.5 | 170.2 | -173 | 16.3 | 0 | 0 | 0 | 110.7 | R121 H125 | R121-D123 PolarHBondContact O-N 2.88Å; D123-H125 IonicContact OD1-CD2 3.72Å; D123-H125 IonicContact OD1-CE1 2.69Å; D123-H125 IonicContact OD1-CG 3.76Å; D123-H125 IonicContact OD1-ND1 2.69Å; D123-H125 IonicContact OD1-NE2 3.08Å; D123-H125 IonicContact OD2-CD2 3.57Å; D123-H125 PolarHBondContact OD2-CD2 3.11Å; D123-H125 IonicContact OD2-CG 3.76Å; D123-H125 IonicContact OD2-NE2 3.46Å | ||
| 124 | N | 45.6 | Very low | 54.9 | Low | 158 Ų | 158 | 145.2 Ų | 145.2 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | -107.5 | 31 | -162.9 | -149.4 | 10 | 0 | 0 | 0 | 111.7 | R126 | N124-R126 PolarHBondContact O-N 3.23Š| ||
| 125 | H | 53.6 | Low | 56.2 | Low | 143 Ų | 143 | 140.9 Ų | 140.9 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | trans | -67.2 | 119.9 | 172.6 | -70.8 | -24.3 | 0 | 0 | 0 | 110.4 | D123 K127 | D123-H125 IonicContact OD1-CD2 3.72Å; D123-H125 IonicContact OD1-CE1 2.69Å; D123-H125 IonicContact OD1-CG 3.76Å; D123-H125 IonicContact OD1-ND1 2.69Å; D123-H125 IonicContact OD1-NE2 3.08Å; D123-H125 IonicContact OD2-CD2 3.57Å; D123-H125 PolarHBondContact OD2-CD2 3.11Å; D123-H125 IonicContact OD2-CG 3.76Å; D123-H125 IonicContact OD2-NE2 3.46Å; H125-K127 PolarHBondContact O-N 3.03Å | ||
| 126 | R | 52.9 | Low | 57.7 | Low | 249 Ų | 249 | 139.4 Ų | 139.4 | 94% | 0.94 | 71% | 0.71 | S | S | * | * | trans | -49.9 | 100.8 | 178.2 | -69.7 | 178.1 | 176.8 | 165.8 | -1.7 | 109.6 | N124 K128 | N124-R126 PolarHBondContact O-N 3.23Å; R126-K128 PolarHBondContact O-N 3.45Å | ||
| 127 | K | 57.2 | Low | 59.2 | Low | 198 Ų | 198 | 138 Ų | 138 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | trans | -61.7 | 110.4 | 179.2 | -65.8 | -176.1 | -178.5 | 178.9 | 0 | 107.8 | H125 | H125-K127 PolarHBondContact O-N 3.03Š| ||
| 128 | K | 59.6 | Low | 60.8 | Low | 193 Ų | 193 | 136.5 Ų | 136.5 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | trans | -47.6 | 131.5 | 170.4 | -145 | 168.4 | -175 | 177.5 | 0 | 106.9 | R126 H130 | R126-K128 PolarHBondContact O-N 3.45Å; K128-H130 PolarHBondContact O-N 2.89Å | ||
| 129 | P | 59.7 | Low | 62.7 | Low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | trans | -53.7 | 122.3 | -173.1 | 20.6 | -32.5 | 0 | 0 | 0 | 109.2 | I131 | P129-I131 PolarHBondContact O-N 3.42Å; P129-I131 VanDerWaalsContact O-N 3.14Å | ||
| 130 | H | 66.2 | Low | 64.4 | Low | 152 Ų | 152 | 136 Ų | 136 | 70% | 0.704 | 67% | 0.665 | S | S | * | * | trans | -65.4 | 115.2 | -174.9 | -178.3 | -83.1 | 0 | 0 | 0 | 108.3 | K128 V132 | K128-H130 PolarHBondContact O-N 2.89Å; H130-V132 WeakPolarHBondContact O-CG2 3.48Å; H130-V132 PolarHBondContact O-N 2.82Å | ||
| 131 | I | 75.2 | Confident | 66.5 | Low | 142 Ų | 142 | 132.6 Ų | 132.6 | 73% | 0.728 | 65% | 0.652 | S | S | * | * | trans | -70 | 109 | 179.5 | -60.3 | 177.5 | 0 | 0 | 0 | 107.6 | P129 I133 | P129-I131 PolarHBondContact O-N 3.42Å; P129-I131 VanDerWaalsContact O-N 3.14Å; I131-I133 HydrophobicContact CG2-CG1 4.18Å; I131-I133 PolarHBondContact O-N 3.47Å | ||
| 132 | V | 74.6 | Confident | 68.8 | Low | 87 Ų | 87 | 125.3 Ų | 125.3 | 53% | 0.527 | 63% | 0.633 | S | S | . | * | trans | -84.9 | 95.4 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | Y101 H130 | Y101-V132 HydrophobicContact CD2-CG1 3.49Å; Y101-V132 VanDerWaalsContact CD2-CG1 3.49Å; Y101-V132 HydrophobicContact CE2-CG1 3.2Å; H130-V132 WeakPolarHBondContact O-CG2 3.48Å; H130-V132 PolarHBondContact O-N 2.82Å | ||
| 133 | I | 77.4 | Confident | 71.2 | Confident | 132 Ų | 132 | 120.6 Ų | 120.6 | 68% | 0.677 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 124.1 | 169.7 | -55.9 | 178.1 | 0 | 0 | 0 | 107.7 | Y101 I131 | Y101-I133 WeakPolarHBondContact CB-O 3.47Å; Y101-I133 VanDerWaalsContact CG-O 3.3Å; I131-I133 HydrophobicContact CG2-CG1 4.18Å; I131-I133 PolarHBondContact O-N 3.47Å |
| 134 | S | 77.1 | Confident | 74 | Confident | 63 Ų | 63 | 117.5 Ų | 117.5 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 161.1 | -179.4 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 135 | M | 74.3 | Confident | 76.4 | Confident | 40 Ų | 40 | 112.6 Ų | 112.6 | 20% | 0.197 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -58.1 | 143.5 | 165.7 | -62.6 | -48.6 | -73.4 | 0 | 0 | 109.6 | L59 P71 Y101 F104 Q137 | L59-M135 HydrophobicContact CD1-CG 4.46Å; P71-M135 HydrophobicContact CB-CG 4.34Å; P71-M135 HydrophobicContact CG-CE 3.96Å; P71-M135 HydrophobicContact CG-CG 4.45Å; Y101-M135 HydrophobicContact CD1-CG 3.84Å; Y101-M135 VanDerWaalsContact CD1-N 3.31Å; Y101-M135 HydrophobicContact CD1-SD 4.12Å; Y101-M135 HydrophobicContact CE1-CG 4.3Å; F104-M135 HydrophobicContact CB-CE 3.67Å; F104-M135 HydrophobicContact CB-SD 3.84Å; F104-M135 HydrophobicContact CD2-SD 4.45Å; F104-M135 HydrophobicContact CG-CE 4.33Å; F104-M135 HydrophobicContact CG-SD 4.21Å; M135-Q137 PolarHBondContact O-N 3.15Å; M135-Q137 PolarHBondContact O-NE2 3.1Å |
| 136 | P | 77.7 | Confident | 78.4 | Confident | 77 Ų | 77 | 107.6 Ų | 107.6 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 137.4 | 171.2 | -22.1 | 32.5 | 0 | 0 | 0 | 110.9 | N73 F139 | N73-P136 PolarHBondContact ND2-O 3.39Å; P136-F139 HydrophobicContact CB-CE1 4.35Å; P136-F139 HydrophobicContact CB-CE2 3.73Å; P136-F139 HydrophobicContact CB-CZ 3.54Å; P136-F139 HydrophobicContact CG-CZ 4.18Å |
| 137 | Q | 78.6 | Confident | 80.3 | Confident | 133 Ų | 133 | 98.8 Ų | 98.8 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | trans | -122.7 | 161.7 | -176.9 | -74.5 | 162.1 | 51 | 0 | 0 | 109.3 | M135 F139 | M135-Q137 PolarHBondContact O-N 3.15Å; M135-Q137 PolarHBondContact O-NE2 3.1Å; Q137-F139 PolarHBondContact O-N 2.89Å | ||
| 138 | D | 81.3 | Confident | 81.9 | Confident | 86 Ų | 86 | 93.5 Ų | 93.5 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | trans | 55.4 | 44.9 | 174.2 | -153.7 | 37.7 | 0 | 0 | 0 | 114.7 | R140 Y163 | D138-R140 PolarHBondContact O-N 3.33Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 IonicContact OD1-CZ 2.81Å; D138-R140 IonicContact OD1-NE 3.58Å; D138-R140 PolarHBondContact OD1-NE 3.48Å; D138-R140 IonicContact OD1-NH2 3.48Å; D138-R140 PolarHBondContact OD1-NH2 3.3Å; D138-R140 IonicContact OD2-CZ 2.75Å; D138-R140 IonicContact OD2-NE 3.83Å; D138-R140 PolarHBondContact OD2-NE 3.06Å; D138-R140 IonicContact OD2-NH2 3.55Å; D138-R140 PolarHBondContact OD2-NH2 2.77Å; D138-Y163 PolarHBondContact OD2-OH 3.14Å | ||
| 139 | F | 82.8 | Confident | 83.4 | Confident | 135 Ų | 135 | 90.2 Ų | 90.2 | 59% | 0.592 | 49% | 0.488 | S | S | * | . | trans | -58.4 | 115.6 | 172.9 | -76 | -85.6 | 0 | 0 | 0 | 110.8 | P136 Q137 | P136-F139 HydrophobicContact CB-CE1 4.35Å; P136-F139 HydrophobicContact CB-CE2 3.73Å; P136-F139 HydrophobicContact CB-CZ 3.54Å; P136-F139 HydrophobicContact CG-CZ 4.18Å; Q137-F139 PolarHBondContact O-N 2.89Å | ||
| 140 | R | 85.6 | Confident | 85.1 | Confident | 119 Ų | 119 | 91 Ų | 91 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | trans | -129.8 | 134.3 | 176.6 | -65.1 | 175 | -170.5 | -89.1 | -5.1 | 109.8 | D138 V142 Y163 | D138-R140 PolarHBondContact O-N 3.33Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 IonicContact OD1-CZ 2.81Å; D138-R140 IonicContact OD1-NE 3.58Å; D138-R140 PolarHBondContact OD1-NE 3.48Å; D138-R140 IonicContact OD1-NH2 3.48Å; D138-R140 PolarHBondContact OD1-NH2 3.3Å; D138-R140 IonicContact OD2-CZ 2.75Å; D138-R140 IonicContact OD2-NE 3.83Å; D138-R140 PolarHBondContact OD2-NE 3.06Å; D138-R140 IonicContact OD2-NH2 3.55Å; D138-R140 PolarHBondContact OD2-NH2 2.77Å; R140-V142 PolarHBondContact O-N 2.78Å; R140-Y163 VanDerWaalsContact CZ-CZ 3.45Å; R140-Y163 VanDerWaalsContact NE-CE2 3.29Å; R140-Y163 VanDerWaalsContact NE-CZ 3.26Å; R140-Y163 PolarHBondContact NE-OH 3.03Å; R140-Y163 VanDerWaalsContact NH1-CE2 3.3Å; R140-Y163 PolarHBondContact NH2-OH 2.9Å | ||
| 141 | P | 90.4 | Very high | 86.4 | Confident | 88 Ų | 88 | 85.3 Ų | 85.3 | 57% | 0.571 | 46% | 0.459 | S | S | * | . | trans | -63.9 | 134.6 | 167.8 | 29 | -33.4 | 0 | 0 | 0 | 108.8 | Y161 | P141-Y161 HydrophobicContact CB-CD2 3.96Å; P141-Y161 HydrophobicContact CB-CE2 3.97Å; P141-Y161 HydrophobicContact CG-CD2 4.25Å; P141-Y161 HydrophobicContact CG-CE2 4.29Å; P141-Y161 HydrophobicContact CG-CG 4.34Å; P141-Y161 VanDerWaalsContact O-CB 3.22Å; P141-Y161 WeakPolarHBondContact O-CB 3.2Å | ||
| 142 | V | 93.2 | Very high | 87.2 | Confident | 75 Ų | 75 | 82 Ų | 82 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | trans | -105.6 | -47 | -178.8 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | R140 Y161 L202 T206 | R140-V142 PolarHBondContact O-N 2.78Å; V142-Y161 PolarHBondContact O-N 2.74Å; V142-L202 HydrophobicContact CG1-CD1 3.43Å; V142-L202 VanDerWaalsContact CG1-CD1 3.43Å; V142-T206 HydrophobicContact CG1-CG2 4.24Å | ||
| 143 | S | 95.4 | Very high | 88 | Confident | 41 Ų | 41 | 85.1 Ų | 85.1 | 29% | 0.287 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 166.5 | 175.4 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | R159 T206 | S143-R159 CarbonylContact C-O 3.57Å; S143-R159 WeakPolarHBondContact CA-O 3.49Å; S143-R159 WeakPolarHBondContact CB-O 3.45Å; S143-T206 VanDerWaalsContact CB-CG2 3.49Å; S143-T206 VanDerWaalsContact OG-CG2 3.28Å; S143-T206 WeakPolarHBondContact OG-CG2 3.38Å |
| 144 | S | 95.8 | Very high | 88.6 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 30% | 0.301 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 146 | 170.5 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | R159 | S144-R159 PolarHBondContact N-O 3.09Å; S144-R159 PolarHBondContact O-N 2.95Å |
| 145 | I | 95.8 | Very high | 89.5 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 28% | 0.277 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 136.9 | 163.6 | -49.9 | 175.4 | 0 | 0 | 0 | 107.8 | V148 R156 R157 L208 V255 | I145-V148 HydrophobicContact CB-CG2 4.45Å; I145-V148 HydrophobicContact CG2-CG2 3.56Å; I145-R156 HydrophobicContact CG2-CG 4.07Å; I145-R157 WeakPolarHBondContact CA-O 3.48Å; I145-L208 HydrophobicContact CD1-CD2 3.78Å; I145-L208 HydrophobicContact CG1-CD1 3.95Å; I145-L208 HydrophobicContact CG1-CD2 3.78Å; I145-L208 HydrophobicContact CG1-CG 4.49Å; I145-V255 HydrophobicContact CD1-CG2 3.56Å |
| 146 | I | 95.3 | Very high | 90.5 | Very high | 39 Ų | 39 | 79.1 Ų | 79.1 | 20% | 0.2 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 165 | 178.6 | 63.6 | 173.9 | 0 | 0 | 0 | 110.8 | V148 R157 I243 | I146-V148 PolarHBondContact O-N 2.71Å; I146-V148 VanDerWaalsContact O-N 3.09Å; I146-R157 HydrophobicContact CD1-CG 3.88Å; I146-R157 HydrophobicContact CG1-CB 4Å; I146-R157 HydrophobicContact CG1-CG 3.61Å; I146-R157 PolarHBondContact N-O 3.36Å; I146-I243 HydrophobicContact CD1-CD1 4.38Å; I146-I243 HydrophobicContact CD1-CG1 4.5Å; I146-I243 HydrophobicContact CD1-CG2 3.89Å |
| 147 | D | 93.4 | Very high | 91.4 | Very high | 63 Ų | 63 | 77.4 Ų | 77.4 | 34% | 0.337 | 40% | 0.404 | S | S | . | . | trans | 59 | 23.5 | 170 | -58.5 | -28.2 | 0 | 0 | 0 | 115.9 | D149 I150 L151 R157 | D147-D149 VanDerWaalsContact C-N 3.27Å; D147-D149 PolarHBondContact O-N 3.33Å; D147-I150 HydrophobicContact CB-CD1 3.87Å; D147-I150 HydrophobicContact CB-CG1 3.66Å; D147-I150 WeakPolarHBondContact O-CG1 3.46Å; D147-I150 PolarHBondContact O-N 3.23Å; D147-I150 VanDerWaalsContact O-N 3.11Å; D147-L151 HydrophobicContact CB-CD1 3.83Å; D147-L151 HydrophobicContact CB-CG 4.18Å; D147-L151 WeakPolarHBondContact O-CB 3.44Å; D147-L151 WeakPolarHBondContact O-CG 3.23Å; D147-L151 PolarHBondContact O-N 3.46Å; D147-R157 VanDerWaalsContact OD2-CD 3.23Å; D147-R157 WeakPolarHBondContact OD2-CD 3.41Å; D147-R157 IonicContact OD2-CZ 3.53Å; D147-R157 IonicContact OD2-NE 2.7Å; D147-R157 IonicContact OD2-NH1 3.66Å; D147-R157 PolarHBondContact OD2-NH1 3.1Å | ||
| 148 | V | 91 | Very high | 92.3 | Very high | 87 Ų | 87 | 71 Ų | 71 | 53% | 0.527 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -35.8 | -177.7 | -177.6 | 0 | 0 | 0 | 0 | 113 | I145 I146 | I145-V148 HydrophobicContact CB-CG2 4.45Å; I145-V148 HydrophobicContact CG2-CG2 3.56Å; I146-V148 PolarHBondContact O-N 2.71Å; I146-V148 VanDerWaalsContact O-N 3.09Å |
| 149 | D | 91.3 | Very high | 93.1 | Very high | 124 Ų | 124 | 70.3 Ų | 70.3 | 66% | 0.663 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.2 | -178.7 | -70.8 | -66.3 | 0 | 0 | 0 | 114.5 | D147 R257 | D147-D149 VanDerWaalsContact C-N 3.27Å; D147-D149 PolarHBondContact O-N 3.33Å; D149-R257 IonicContact OD1-CZ 3.59Å; D149-R257 IonicContact OD1-NH2 3.79Å; D149-R257 PolarHBondContact OD1-NH2 3.08Å |
| 150 | I | 93.9 | Very high | 93.7 | Very high | 131 Ų | 131 | 63.9 Ų | 63.9 | 67% | 0.672 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -15.2 | -178.2 | 65.7 | 169.1 | 0 | 0 | 0 | 113.6 | D147 | D147-I150 HydrophobicContact CB-CD1 3.87Å; D147-I150 HydrophobicContact CB-CG1 3.66Å; D147-I150 WeakPolarHBondContact O-CG1 3.46Å; D147-I150 PolarHBondContact O-N 3.23Å; D147-I150 VanDerWaalsContact O-N 3.11Å |
| 151 | L | 93.3 | Very high | 94.2 | Very high | 32 Ų | 32 | 61.2 Ų | 61.2 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -89.2 | 151.9 | 175.1 | -72.2 | 167.3 | 0 | 0 | 0 | 111.3 | D147 H155 R157 T245 | D147-L151 HydrophobicContact CB-CD1 3.83Å; D147-L151 HydrophobicContact CB-CG 4.18Å; D147-L151 WeakPolarHBondContact O-CB 3.44Å; D147-L151 WeakPolarHBondContact O-CG 3.23Å; D147-L151 PolarHBondContact O-N 3.46Å; L151-H155 HydrophobicContact CB-CB 4.45Å; L151-R157 HydrophobicContact CD1-CB 3.39Å; L151-R157 HydrophobicContact CD1-CG 4.5Å; L151-T245 HydrophobicContact CD2-CG2 4.47Å |
| 152 | P | 93.9 | Very high | 94.2 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | trans | -64 | 144.5 | 171.8 | -13.6 | 27.2 | 0 | 0 | 0 | 110.5 | T154 H155 | P152-T154 PolarHBondContact O-N 3.13Å; P152-H155 WeakPolarHBondContact O-CB 3.35Å; P152-H155 PolarHBondContact O-N 2.97Å | ||
| 153 | E | 89.8 | Confident | 93.8 | Very high | 152 Ų | 152 | 61.5 Ų | 61.5 | 71% | 0.71 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.4 | -175.4 | -177.2 | 170.3 | -159.4 | 0 | 0 | 114.8 | H155 N254 | E153-H155 PolarHBondContact O-N 2.66Å; E153-N254 PolarHBondContact O-ND2 3.01Å |
| 154 | T | 91.8 | Very high | 93 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.3 | 174.5 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | P152 P248 | P152-T154 PolarHBondContact O-N 3.13Å; T154-P248 WeakPolarHBondContact O-CD 3.32Å |
| 155 | H | 93.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 64.1 Ų | 64.1 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | trans | -115 | 162.8 | -176.5 | -60.2 | 64.6 | 0 | 0 | 0 | 110.8 | L151 P152 E153 L216 V246 N254 | L151-H155 HydrophobicContact CB-CB 4.45Å; P152-H155 WeakPolarHBondContact O-CB 3.35Å; P152-H155 PolarHBondContact O-N 2.97Å; E153-H155 PolarHBondContact O-N 2.66Å; H155-L216 WeakPolarHBondContact CD2-CD1 3.32Å; H155-L216 WeakPolarHBondContact NE2-CD1 3.41Å; H155-V246 CarbonylContact C-O 3.46Å; H155-V246 WeakPolarHBondContact CA-O 3.37Å; H155-N254 PolarHBondContact O-ND2 2.92Å; H155-N254 VanDerWaalsContact O-ND2 3.08Å | ||
| 156 | R | 95.5 | Very high | 90.8 | Very high | 19 Ų | 19 | 69.1 Ų | 69.1 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 124.9 | 172.9 | -174 | -170.6 | -58.8 | -169.5 | -3.3 | 108.8 | I145 V158 L208 T245 V246 P248 N253 N254 | I145-R156 HydrophobicContact CG2-CG 4.07Å; R156-V158 HydrophobicContact CG-CG2 3.77Å; R156-L208 WeakPolarHBondContact CD-O 3.28Å; R156-L208 PolarHBondContact NH1-O 3.24Å; R156-T245 WeakPolarHBondContact O-CA 3.48Å; R156-V246 HydrophobicContact CB-CG2 4.2Å; R156-V246 PolarHBondContact N-O 2.67Å; R156-V246 PolarHBondContact O-N 2.99Å; R156-P248 HydrophobicContact CB-CG 4.11Å; R156-N253 VanDerWaalsContact NH2-C 3.31Å; R156-N253 PolarHBondContact NH2-O 2.93Å; R156-N254 VanDerWaalsContact CZ-OD1 3.31Å; R156-N254 PolarHBondContact NE-OD1 3.35Å; R156-N254 VanDerWaalsContact NH2-CA 3.35Å; R156-N254 PolarHBondContact NH2-OD1 2.81Å |
| 157 | R | 97.3 | Very high | 90.3 | Very high | 41 Ų | 41 | 74.7 Ų | 74.7 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.3 | 170.9 | -172.4 | 178.3 | -75.2 | 164.6 | -4.1 | 109.4 | I145 I146 D147 L151 E217 I243 I244 T245 | I145-R157 WeakPolarHBondContact CA-O 3.48Å; I146-R157 HydrophobicContact CD1-CG 3.88Å; I146-R157 HydrophobicContact CG1-CB 4Å; I146-R157 HydrophobicContact CG1-CG 3.61Å; I146-R157 PolarHBondContact N-O 3.36Å; D147-R157 VanDerWaalsContact OD2-CD 3.23Å; D147-R157 WeakPolarHBondContact OD2-CD 3.41Å; D147-R157 IonicContact OD2-CZ 3.53Å; D147-R157 IonicContact OD2-NE 2.7Å; D147-R157 IonicContact OD2-NH1 3.66Å; D147-R157 PolarHBondContact OD2-NH1 3.1Å; L151-R157 HydrophobicContact CD1-CB 3.39Å; L151-R157 HydrophobicContact CD1-CG 4.5Å; R157-E217 IonicContact CZ-OE2 3.3Å; R157-E217 IonicContact NE-OE2 3.86Å; R157-E217 IonicContact NH2-OE1 2.76Å; R157-E217 IonicContact NH2-OE2 3.58Å; R157-E217 PolarHBondContact NH2-OE2 3.04Å; R157-I243 HydrophobicContact CG-CG2 3.65Å; R157-I244 WeakPolarHBondContact CA-O 3.32Å; R157-T245 HydrophobicContact CB-CG2 4.49Å; R157-T245 WeakPolarHBondContact CG-OG1 3.34Å; R157-T245 PolarHBondContact NE-OG1 3.2Å |
| 158 | V | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130 | -175.7 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | R156 L160 L208 L209 I243 I244 | R156-V158 HydrophobicContact CG-CG2 3.77Å; V158-L160 HydrophobicContact CG1-CD2 3.78Å; V158-L160 HydrophobicContact CG1-CG 4.11Å; V158-L208 HydrophobicContact CG1-CB 3.86Å; V158-L208 HydrophobicContact CG1-CD1 3.76Å; V158-L208 HydrophobicContact CG1-CG 4.48Å; V158-L208 HydrophobicContact CG2-CB 3.94Å; V158-L209 HydrophobicContact CB-CD2 4.38Å; V158-L209 HydrophobicContact CG2-CD2 4.05Å; V158-I243 WeakPolarHBondContact O-CA 3.11Å; V158-I244 HydrophobicContact CB-CG2 4.05Å; V158-I244 PolarHBondContact N-O 2.8Å; V158-I244 PolarHBondContact O-N 3.29Å |
| 159 | R | 97.8 | Very high | 90.3 | Very high | 71 Ų | 71 | 70.7 Ų | 70.7 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.5 | 168.8 | -170.1 | 172.8 | -163 | 171.5 | 11.2 | 109.4 | S143 S144 Y161 N241 L242 I243 | S143-R159 CarbonylContact C-O 3.57Å; S143-R159 WeakPolarHBondContact CA-O 3.49Å; S143-R159 WeakPolarHBondContact CB-O 3.45Å; S144-R159 PolarHBondContact N-O 3.09Å; S144-R159 PolarHBondContact O-N 2.95Å; R159-Y161 WeakPolarHBondContact CD-OH 3.48Å; R159-Y161 HydrophobicContact CG-CE2 4.01Å; R159-Y161 PolarHBondContact NE-OH 2.83Å; R159-Y161 PolarHBondContact NH1-OH 2.95Å; R159-N241 PolarHBondContact NE-OD1 3.15Å; R159-N241 PolarHBondContact NH2-ND2 3.02Å; R159-N241 PolarHBondContact NH2-OD1 2.74Å; R159-L242 CarbonylContact C-O 3.45Å; R159-L242 VanDerWaalsContact CA-O 3.29Å; R159-L242 WeakPolarHBondContact CA-O 3.43Å; R159-I243 HydrophobicContact CB-CG1 4.3Å; R159-I243 HydrophobicContact CG-CG1 3.9Å |
| 160 | L | 96.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.2 | 176.9 | -61.4 | -177.3 | 0 | 0 | 0 | 110.3 | V158 F171 L202 T206 L209 L242 | V158-L160 HydrophobicContact CG1-CD2 3.78Å; V158-L160 HydrophobicContact CG1-CG 4.11Å; L160-F171 HydrophobicContact CD1-CE1 4.37Å; L160-L202 HydrophobicContact CB-CD2 4.32Å; L160-T206 HydrophobicContact CD2-CG2 3.87Å; L160-L209 HydrophobicContact CD1-CD1 4.02Å; L160-L242 HydrophobicContact CB-CB 4.43Å; L160-L242 HydrophobicContact CD1-CD2 4.46Å; L160-L242 PolarHBondContact N-O 2.75Å; L160-L242 PolarHBondContact O-N 3.08Å |
| 161 | Y | 94.8 | Very high | 90.7 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 25% | 0.247 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 106.8 | 174.8 | -65 | -85.9 | 0 | 0 | 0 | 108.9 | P141 V142 R159 Y163 | P141-Y161 HydrophobicContact CB-CD2 3.96Å; P141-Y161 HydrophobicContact CB-CE2 3.97Å; P141-Y161 HydrophobicContact CG-CD2 4.25Å; P141-Y161 HydrophobicContact CG-CE2 4.29Å; P141-Y161 HydrophobicContact CG-CG 4.34Å; P141-Y161 VanDerWaalsContact O-CB 3.22Å; P141-Y161 WeakPolarHBondContact O-CB 3.2Å; V142-Y161 PolarHBondContact O-N 2.74Å; R159-Y161 WeakPolarHBondContact CD-OH 3.48Å; R159-Y161 HydrophobicContact CG-CE2 4.01Å; R159-Y161 PolarHBondContact NE-OH 2.83Å; R159-Y161 PolarHBondContact NH1-OH 2.95Å; Y161-Y163 PolarHBondContact O-N 3.4Å |
| 162 | K | 91.7 | Very high | 90.9 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 13% | 0.13 | 29% | 0.29 | C | S | . | . | trans | -76.8 | 119.6 | 176.8 | 170.5 | 177.5 | 154 | 158.4 | 0 | 109.8 | G164 T165 K167 L169 L202 S239 R240 | K162-G164 WeakPolarHBondContact CE-O 3.43Å; K162-T165 WeakPolarHBondContact CE-O 3.29Å; K162-T165 PolarHBondContact NZ-O 2.82Å; K162-K167 VanDerWaalsContact CD-O 3.23Å; K162-K167 WeakPolarHBondContact CD-O 3.5Å; K162-K167 WeakPolarHBondContact CE-O 3.36Å; K162-K167 PolarHBondContact NZ-O 3.06Å; K162-L169 HydrophobicContact CB-CD2 4.43Å; K162-L202 HydrophobicContact CB-CD2 4.33Å; K162-S239 WeakPolarHBondContact CB-O 3.27Å; K162-R240 PolarHBondContact N-O 2.76Å | ||
| 163 | Y | 84.9 | Confident | 91.1 | Very high | 138 Ų | 138 | 55.3 Ų | 55.3 | 54% | 0.541 | 27% | 0.269 | S | S | . | . | trans | -94.1 | 130.7 | 172 | -177.3 | -136.5 | 0 | 0 | 0 | 111.6 | D138 R140 Y161 | D138-Y163 PolarHBondContact OD2-OH 3.14Å; R140-Y163 VanDerWaalsContact CZ-CZ 3.45Å; R140-Y163 VanDerWaalsContact NE-CE2 3.29Å; R140-Y163 VanDerWaalsContact NE-CZ 3.26Å; R140-Y163 PolarHBondContact NE-OH 3.03Å; R140-Y163 VanDerWaalsContact NH1-CE2 3.3Å; R140-Y163 PolarHBondContact NH2-OH 2.9Å; Y161-Y163 PolarHBondContact O-N 3.4Å | ||
| 164 | G | 77.6 | Confident | 91.5 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 78.5 | 149.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K162 | K162-G164 WeakPolarHBondContact CE-O 3.43Š|
| 165 | T | 70.8 | Confident | 91.7 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 60% | 0.595 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -73.1 | -32.1 | 177.6 | 38.6 | 0 | 0 | 0 | 0 | 112.6 | K162 L372 | K162-T165 WeakPolarHBondContact CE-O 3.29Å; K162-T165 PolarHBondContact NZ-O 2.82Å; T165-L372 WeakPolarHBondContact O-CD1 3.22Å |
| 166 | E | 76 | Confident | 91.7 | Very high | 160 Ų | 160 | 53.5 Ų | 53.5 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -89.1 | -23.5 | -166.8 | -59.1 | -174.3 | 169.5 | 0 | 0 | 114.9 | L372 | E166-L372 VanDerWaalsContact O-CD1 3.27Å; E166-L372 WeakPolarHBondContact O-CD1 3.18Å |
| 167 | K | 84.9 | Confident | 91.6 | Very high | 155 Ų | 155 | 56.5 Ų | 56.5 | 67% | 0.674 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -77.2 | 130.2 | -179.1 | -68.4 | -171.6 | 175.9 | -175.3 | 0 | 110.9 | K162 | K162-K167 VanDerWaalsContact CD-O 3.23Å; K162-K167 WeakPolarHBondContact CD-O 3.5Å; K162-K167 WeakPolarHBondContact CE-O 3.36Å; K162-K167 PolarHBondContact NZ-O 3.06Å |
| 168 | P | 90.6 | Very high | 91.4 | Very high | 57 Ų | 57 | 55 Ų | 55 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | trans | -70.2 | 166 | 174.7 | 29.8 | -35.1 | 0 | 0 | 0 | 111.2 | G170 | P168-G170 PolarHBondContact O-N 2.87Å; P168-G170 VanDerWaalsContact O-N 3.15Å | ||
| 169 | L | 93.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | trans | -62.9 | -16.6 | 174.1 | -70.8 | 162.9 | 0 | 0 | 0 | 113.1 | K162 F171 L202 A203 L242 | K162-L169 HydrophobicContact CB-CD2 4.43Å; L169-F171 HydrophobicContact CB-CD1 3.89Å; L169-F171 HydrophobicContact CB-CE1 3.69Å; L169-F171 HydrophobicContact CD1-CE1 4.13Å; L169-F171 HydrophobicContact CG-CE1 4.44Å; L169-L202 HydrophobicContact CD2-CD2 4.26Å; L169-L202 WeakPolarHBondContact O-CB 3.04Å; L169-A203 WeakPolarHBondContact O-CB 3.48Å; L169-A203 PolarHBondContact O-N 2.98Å; L169-L242 HydrophobicContact CD1-CD2 3.89Å; L169-L242 HydrophobicContact CD2-CB 4.46Å; L169-L242 HydrophobicContact CD2-CD2 4.32Å | ||
| 170 | G | 94.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 81.9 | 23.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P168 V198 | P168-G170 PolarHBondContact O-N 2.87Å; P168-G170 VanDerWaalsContact O-N 3.15Å; G170-V198 PolarHBondContact O-N 2.81Å |
| 171 | F | 97.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.022 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 164.1 | 170.3 | 70.7 | -82.8 | 0 | 0 | 0 | 110.4 | L160 L169 I173 I194 R196 L197 A203 L209 M235 L242 I244 | L160-F171 HydrophobicContact CD1-CE1 4.37Å; L169-F171 HydrophobicContact CB-CD1 3.89Å; L169-F171 HydrophobicContact CB-CE1 3.69Å; L169-F171 HydrophobicContact CD1-CE1 4.13Å; L169-F171 HydrophobicContact CG-CE1 4.44Å; F171-I173 HydrophobicContact CD2-CG2 4.2Å; F171-I173 HydrophobicContact CE2-CG2 3.97Å; F171-I194 HydrophobicContact CB-CG2 4.35Å; F171-I194 HydrophobicContact CD2-CD1 4.25Å; F171-I194 HydrophobicContact CD2-CG1 4.24Å; F171-R196 WeakPolarHBondContact CA-O 3.04Å; F171-L197 HydrophobicContact CB-CD2 3.58Å; F171-A203 HydrophobicContact CB-CB 3.91Å; F171-A203 HydrophobicContact CD1-CB 3.67Å; F171-A203 HydrophobicContact CG-CB 4.18Å; F171-L209 HydrophobicContact CD1-CD1 4.36Å; F171-L209 HydrophobicContact CE1-CD1 4.31Å; F171-M235 HydrophobicContact CE2-CE 4.19Å; F171-M235 HydrophobicContact CE2-SD 3.69Å; F171-M235 HydrophobicContact CZ-CE 4.38Å; F171-M235 HydrophobicContact CZ-SD 3.66Å; F171-L242 HydrophobicContact CE1-CD2 4.17Å; F171-L242 HydrophobicContact CZ-CD2 4.04Å; F171-I244 HydrophobicContact CE2-CD1 4.29Å; F171-I244 HydrophobicContact CZ-CD1 4.15Å |
| 172 | Y | 97.6 | Very high | 90 | Very high | 22 Ų | 22 | 63.6 Ų | 63.6 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.5 | 177.9 | -59.9 | -95.7 | 0 | 0 | 0 | 109.3 | I194 S195 R196 V198 I369 | Y172-I194 CarbonylContact O-C 3.47Å; Y172-I194 WeakPolarHBondContact O-CA 3.29Å; Y172-S195 VanDerWaalsContact C-OG 3.29Å; Y172-S195 VanDerWaalsContact CB-OG 3.3Å; Y172-S195 WeakPolarHBondContact CB-OG 3.46Å; Y172-S195 PolarHBondContact O-N 3.16Å; Y172-S195 PolarHBondContact O-OG 2.83Å; Y172-R196 HydrophobicContact CD2-CG 3.58Å; Y172-R196 HydrophobicContact CE2-CG 4.41Å; Y172-R196 VanDerWaalsContact CE2-NH1 3.32Å; Y172-R196 HydrophobicContact CG-CG 3.94Å; Y172-R196 VanDerWaalsContact CZ-CZ 3.4Å; Y172-R196 PolarHBondContact N-O 2.83Å; Y172-V198 HydrophobicContact CD2-CG2 4.39Å; Y172-V198 HydrophobicContact CE2-CG2 3.47Å; Y172-V198 VanDerWaalsContact CE2-CG2 3.47Å; Y172-I369 HydrophobicContact CE1-CB 4.09Å; Y172-I369 HydrophobicContact CE1-CG2 3.59Å |
| 173 | I | 98.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 5% | 0.046 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 161.4 | 176.8 | 52.5 | 172.6 | 0 | 0 | 0 | 110.6 | F171 I192 F193 V215 L228 V231 M235 | F171-I173 HydrophobicContact CD2-CG2 4.2Å; F171-I173 HydrophobicContact CE2-CG2 3.97Å; I173-I192 HydrophobicContact CB-CG2 3.81Å; I173-I192 HydrophobicContact CD1-CG2 3.94Å; I173-I192 HydrophobicContact CG1-CG2 4.41Å; I173-I192 HydrophobicContact CG2-CG2 4.08Å; I173-F193 CarbonylContact C-O 3.57Å; I173-F193 VanDerWaalsContact CA-O 3.22Å; I173-F193 WeakPolarHBondContact CA-O 3.46Å; I173-V215 HydrophobicContact CG2-CG2 4.25Å; I173-L228 HydrophobicContact CB-CD1 4.21Å; I173-L228 HydrophobicContact CD1-CD1 3.87Å; I173-L228 HydrophobicContact CG1-CD1 3.8Å; I173-V231 HydrophobicContact CD1-CB 4.32Å; I173-V231 HydrophobicContact CD1-CG1 3.85Å; I173-M235 HydrophobicContact CD1-CE 4.25Å; I173-M235 HydrophobicContact CD1-SD 4.17Å; I173-M235 HydrophobicContact CG2-CE 4.19Å; I173-M235 HydrophobicContact CG2-SD 4.44Å |
| 174 | R | 97.9 | Very high | 90 | Very high | 88 Ų | 88 | 69.6 Ų | 69.6 | 33% | 0.332 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 160.5 | 173.8 | 61.8 | 174.4 | 175.9 | 69.8 | 1.9 | 109.8 | F193 N212 | R174-F193 HydrophobicContact CG-CB 4.3Å; R174-F193 PolarHBondContact N-O 3.14Å; R174-F193 PolarHBondContact O-N 3.3Å; R174-N212 PolarHBondContact NH2-OD1 3.09Å |
| 175 | D | 97.1 | Very high | 90.7 | Very high | 92 Ų | 92 | 69.1 Ų | 69.1 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 163.4 | 163.4 | -70 | -51.6 | 0 | 0 | 0 | 112 | I192 | D175-I192 VanDerWaalsContact OD1-CD1 3.27Å; D175-I192 WeakPolarHBondContact OD1-CD1 3.38Å |
| 176 | G | 94.8 | Very high | 91.8 | Very high | 24 Ų | 24 | 70.8 Ų | 70.8 | 25% | 0.247 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | -169 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G191 | G176-G191 CarbonylContact C-O 3.6Å; G176-G191 PolarHBondContact N-O 3.27Å; G176-G191 PolarHBondContact O-N 3.46Å |
| 177 | S | 93.5 | Very high | 92.6 | Very high | 81 Ų | 81 | 67 Ų | 67 | 57% | 0.566 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 126 | 176 | -51.7 | 0 | 0 | 0 | 0 | 110.5 | V189 | S177-V189 CarbonylContact C-O 3.53Å; S177-V189 VanDerWaalsContact CA-O 3.29Å; S177-V189 WeakPolarHBondContact CA-O 3.24Å |
| 178 | S | 91.3 | Very high | 93 | Very high | 9 Ų | 9 | 67.7 Ų | 67.7 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.3 | 169.9 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | V189 E214 | S178-V189 PolarHBondContact N-O 3.02Å; S178-V189 WeakPolarHBondContact O-CG2 3.33Å; S178-V189 PolarHBondContact O-N 2.7Å; S178-E214 VanDerWaalsContact CB-OE1 3.31Å; S178-E214 WeakPolarHBondContact CB-OE1 3.23Å; S178-E214 PolarHBondContact OG-OE1 3.27Å; S178-E214 VanDerWaalsContact OG-OE1 3.05Å; S178-E214 PolarHBondContact OG-OE2 3.19Å |
| 179 | V | 90.9 | Very high | 93.1 | Very high | 84 Ų | 84 | 66.6 Ų | 66.6 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.8 | 173.3 | -180 | 0 | 0 | 0 | 0 | 107.7 | L186 E187 K188 | V179-L186 HydrophobicContact CG1-CD1 3.72Å; V179-L186 HydrophobicContact CG1-CD2 3.85Å; V179-L186 HydrophobicContact CG1-CG 3.57Å; V179-E187 WeakPolarHBondContact CA-O 3.18Å; V179-K188 HydrophobicContact CG2-CG 4.12Å |
| 180 | R | 89.1 | Confident | 93.2 | Very high | 71 Ų | 71 | 71.5 Ų | 71.5 | 27% | 0.268 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.8 | -179.2 | -64.5 | -168.7 | -177.4 | -178.1 | -1.2 | 111 | E187 V189 E214 | R180-E187 PolarHBondContact N-O 2.81Å; R180-E187 PolarHBondContact O-N 2.54Å; R180-V189 HydrophobicContact CB-CG2 4.38Å; R180-V189 HydrophobicContact CG-CG2 3.86Å; R180-E214 IonicContact CZ-OE1 3.54Å; R180-E214 IonicContact NE-OE1 3.54Å; R180-E214 IonicContact NH2-OE1 2.71Å; R180-E214 PolarHBondContact NH2-OE1 2.94Å |
| 181 | V | 89.6 | Confident | 93.2 | Very high | 128 Ų | 128 | 71.8 Ų | 71.8 | 78% | 0.776 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 112.2 | 166.2 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | G185 L186 | V181-G185 WeakPolarHBondContact CA-O 3.5Å; V181-L186 HydrophobicContact CG2-CD1 3.9Å |
| 182 | T | 87.4 | Confident | 93.2 | Very high | 32 Ų | 32 | 71.8 Ų | 71.8 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 169.9 | 172.8 | 75.2 | 0 | 0 | 0 | 0 | 109 | H184 G185 E187 | T182-H184 PolarHBondContact O-N 2.93Å; T182-H184 PolarHBondContact OG1-N 2.86Å; T182-G185 PolarHBondContact N-O 3.04Å; T182-G185 PolarHBondContact O-N 2.93Å; T182-G185 VanDerWaalsContact O-N 3.07Å; T182-G185 PolarHBondContact OG1-O 3.41Å; T182-E187 WeakPolarHBondContact CB-OE2 3.41Å; T182-E187 HydrophobicContact CG2-CB 4.06Å; T182-E187 HydrophobicContact CG2-CG 4.43Å; T182-E187 VanDerWaalsContact CG2-OE2 3.23Å; T182-E187 WeakPolarHBondContact CG2-OE2 3.2Å; T182-E187 PolarHBondContact OG1-OE2 2.81Å |
| 183 | P | 89.5 | Confident | 93.3 | Very high | 132 Ų | 132 | 71.8 Ų | 71.8 | 86% | 0.857 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.7 | 174.8 | -26.3 | 36.6 | 0 | 0 | 0 | 114.7 | ||
| 184 | H | 87.4 | Confident | 93.3 | Very high | 162 Ų | 162 | 71.3 Ų | 71.3 | 75% | 0.75 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -5.6 | 179.6 | -54.8 | 104.3 | 0 | 0 | 0 | 113.4 | T182 | T182-H184 PolarHBondContact O-N 2.93Å; T182-H184 PolarHBondContact OG1-N 2.86Å |
| 185 | G | 92.5 | Very high | 93.3 | Very high | 33 Ų | 33 | 68.8 Ų | 68.8 | 34% | 0.34 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.4 | -147 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V181 T182 | V181-G185 WeakPolarHBondContact CA-O 3.5Å; T182-G185 PolarHBondContact N-O 3.04Å; T182-G185 PolarHBondContact O-N 2.93Å; T182-G185 VanDerWaalsContact O-N 3.07Å; T182-G185 PolarHBondContact OG1-O 3.41Å |
| 186 | L | 93.7 | Very high | 93.3 | Very high | 132 Ų | 132 | 69.7 Ų | 69.7 | 69% | 0.691 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 106.1 | 177.9 | -165.1 | 78.1 | 0 | 0 | 0 | 109.5 | V179 V181 | V179-L186 HydrophobicContact CG1-CD1 3.72Å; V179-L186 HydrophobicContact CG1-CD2 3.85Å; V179-L186 HydrophobicContact CG1-CG 3.57Å; V181-L186 HydrophobicContact CG2-CD1 3.9Å |
| 187 | E | 93.8 | Very high | 93.3 | Very high | 80 Ų | 80 | 70.3 Ų | 70.3 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.2 | -173.1 | -66.5 | -178.7 | 143.3 | 0 | 0 | 111.9 | V179 R180 T182 | V179-E187 WeakPolarHBondContact CA-O 3.18Å; R180-E187 PolarHBondContact N-O 2.81Å; R180-E187 PolarHBondContact O-N 2.54Å; T182-E187 WeakPolarHBondContact CB-OE2 3.41Å; T182-E187 HydrophobicContact CG2-CB 4.06Å; T182-E187 HydrophobicContact CG2-CG 4.43Å; T182-E187 VanDerWaalsContact CG2-OE2 3.23Å; T182-E187 WeakPolarHBondContact CG2-OE2 3.2Å; T182-E187 PolarHBondContact OG1-OE2 2.81Å |
| 188 | K | 93.1 | Very high | 93.5 | Very high | 170 Ų | 170 | 68.2 Ų | 68.2 | 74% | 0.739 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 108.5 | 168.6 | -73.7 | -179.7 | 178.9 | -178.3 | 0 | 108.3 | V179 | V179-K188 HydrophobicContact CG2-CG 4.12Å |
| 189 | V | 92.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 148.1 | 174.9 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | S177 S178 R180 | S177-V189 CarbonylContact C-O 3.53Å; S177-V189 VanDerWaalsContact CA-O 3.29Å; S177-V189 WeakPolarHBondContact CA-O 3.24Å; S178-V189 PolarHBondContact N-O 3.02Å; S178-V189 WeakPolarHBondContact O-CG2 3.33Å; S178-V189 PolarHBondContact O-N 2.7Å; R180-V189 HydrophobicContact CB-CG2 4.38Å; R180-V189 HydrophobicContact CG-CG2 3.86Å |
| 190 | P | 94.4 | Very high | 93.7 | Very high | 111 Ų | 111 | 72.2 Ų | 72.2 | 72% | 0.721 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 142.9 | 167.8 | -23.4 | 34.4 | 0 | 0 | 0 | 111.3 | ||
| 191 | G | 95.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 69.3 Ų | 69.3 | 8% | 0.082 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 154.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G176 F193 | G176-G191 CarbonylContact C-O 3.6Å; G176-G191 PolarHBondContact N-O 3.27Å; G176-G191 PolarHBondContact O-N 3.46Å; G191-F193 VanDerWaalsContact O-CD2 3.31Å; G191-F193 WeakPolarHBondContact O-CD2 3.47Å; G191-F193 WeakPolarHBondContact O-CE2 3.39Å |
| 192 | I | 98.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.3 | -179.9 | -54.4 | -57.4 | 0 | 0 | 0 | 109 | I173 D175 E214 V215 V223 L228 V231 | I173-I192 HydrophobicContact CB-CG2 3.81Å; I173-I192 HydrophobicContact CD1-CG2 3.94Å; I173-I192 HydrophobicContact CG1-CG2 4.41Å; I173-I192 HydrophobicContact CG2-CG2 4.08Å; D175-I192 VanDerWaalsContact OD1-CD1 3.27Å; D175-I192 WeakPolarHBondContact OD1-CD1 3.38Å; I192-E214 CarbonylContact O-C 3.54Å; I192-V215 HydrophobicContact CB-CB 4.21Å; I192-V215 HydrophobicContact CG2-CB 4.18Å; I192-V215 HydrophobicContact CG2-CG2 4.3Å; I192-V215 PolarHBondContact O-N 2.9Å; I192-V223 HydrophobicContact CB-CG2 4.39Å; I192-V223 HydrophobicContact CG1-CB 4.44Å; I192-V223 HydrophobicContact CG1-CG2 4.17Å; I192-L228 HydrophobicContact CD1-CD1 4Å; I192-L228 HydrophobicContact CG2-CD1 4.28Å; I192-V231 HydrophobicContact CG1-CG2 4.23Å; I192-V231 HydrophobicContact CG2-CG1 4.34Å |
| 193 | F | 98.3 | Very high | 94.5 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 10% | 0.096 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.4 | -176.9 | -63.3 | -94.6 | 0 | 0 | 0 | 111.1 | I173 R174 G191 S195 D213 E214 | I173-F193 CarbonylContact C-O 3.57Å; I173-F193 VanDerWaalsContact CA-O 3.22Å; I173-F193 WeakPolarHBondContact CA-O 3.46Å; R174-F193 HydrophobicContact CG-CB 4.3Å; R174-F193 PolarHBondContact N-O 3.14Å; R174-F193 PolarHBondContact O-N 3.3Å; G191-F193 VanDerWaalsContact O-CD2 3.31Å; G191-F193 WeakPolarHBondContact O-CD2 3.47Å; G191-F193 WeakPolarHBondContact O-CE2 3.39Å; F193-S195 PolarHBondContact O-N 2.81Å; F193-D213 WeakPolarHBondContact CA-O 3.44Å; F193-E214 HydrophobicContact CD1-CB 3.95Å; F193-E214 HydrophobicContact CD1-CG 4.43Å; F193-E214 HydrophobicContact CE1-CB 3.67Å; F193-E214 HydrophobicContact CE1-CG 3.91Å; F193-E214 HydrophobicContact CZ-CB 4.39Å; F193-E214 HydrophobicContact CZ-CG 4.12Å |
| 194 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 117.1 | 169.7 | -60.8 | -175.1 | 0 | 0 | 0 | 108.9 | F171 Y172 L197 L209 A210 N212 D213 V215 | F171-I194 HydrophobicContact CB-CG2 4.35Å; F171-I194 HydrophobicContact CD2-CD1 4.25Å; F171-I194 HydrophobicContact CD2-CG1 4.24Å; Y172-I194 CarbonylContact O-C 3.47Å; Y172-I194 WeakPolarHBondContact O-CA 3.29Å; I194-L197 HydrophobicContact CG2-CD2 3.95Å; I194-L209 HydrophobicContact CD1-CB 3.91Å; I194-L209 HydrophobicContact CD1-CD1 4.22Å; I194-L209 HydrophobicContact CD1-CD2 4.19Å; I194-L209 HydrophobicContact CD1-CG 4.33Å; I194-A210 WeakPolarHBondContact CB-O 3.47Å; I194-N212 PolarHBondContact O-N 2.87Å; I194-D213 HydrophobicContact CD1-CB 4.17Å; I194-D213 HydrophobicContact CG1-CB 4.41Å; I194-D213 PolarHBondContact N-O 2.92Å; I194-V215 HydrophobicContact CG1-CG2 4.19Å |
| 195 | S | 97.8 | Very high | 95 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -42.5 | -177.4 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | Y172 F193 V211 | Y172-S195 VanDerWaalsContact C-OG 3.29Å; Y172-S195 VanDerWaalsContact CB-OG 3.3Å; Y172-S195 WeakPolarHBondContact CB-OG 3.46Å; Y172-S195 PolarHBondContact O-N 3.16Å; Y172-S195 PolarHBondContact O-OG 2.83Å; F193-S195 PolarHBondContact O-N 2.81Å; S195-V211 VanDerWaalsContact O-CG1 3.26Å; S195-V211 WeakPolarHBondContact O-CG1 3.35Å |
| 196 | R | 96.9 | Very high | 95.1 | Very high | 110 Ų | 110 | 57.3 Ų | 57.3 | 42% | 0.415 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 156.4 | -179.5 | 50.4 | 165.4 | -173.3 | 135.5 | -4.2 | 111.6 | F171 Y172 | F171-R196 WeakPolarHBondContact CA-O 3.04Å; Y172-R196 HydrophobicContact CD2-CG 3.58Å; Y172-R196 HydrophobicContact CE2-CG 4.41Å; Y172-R196 VanDerWaalsContact CE2-NH1 3.32Å; Y172-R196 HydrophobicContact CG-CG 3.94Å; Y172-R196 VanDerWaalsContact CZ-CZ 3.4Å; Y172-R196 PolarHBondContact N-O 2.83Å |
| 197 | L | 96.4 | Very high | 95.1 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 20% | 0.199 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.9 | 172.3 | -59.4 | 179.2 | 0 | 0 | 0 | 109.9 | F171 I194 A203 Q204 V211 | F171-L197 HydrophobicContact CB-CD2 3.58Å; I194-L197 HydrophobicContact CG2-CD2 3.95Å; L197-A203 HydrophobicContact CD2-CB 4.21Å; L197-Q204 HydrophobicContact CB-CB 4.23Å; L197-Q204 HydrophobicContact CB-CG 4.47Å; L197-Q204 HydrophobicContact CD1-CB 4.38Å; L197-Q204 HydrophobicContact CD1-CG 4.3Å; L197-V211 HydrophobicContact CG-CG2 4.1Å |
| 198 | V | 96.1 | Very high | 95.2 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | trans | -77.9 | 126.9 | 172.4 | 177 | 0 | 0 | 0 | 0 | 109.2 | G170 Y172 G200 G201 Q204 | G170-V198 PolarHBondContact O-N 2.81Å; Y172-V198 HydrophobicContact CD2-CG2 4.39Å; Y172-V198 HydrophobicContact CE2-CG2 3.47Å; Y172-V198 VanDerWaalsContact CE2-CG2 3.47Å; V198-G200 PolarHBondContact O-N 2.98Å; V198-G201 WeakPolarHBondContact O-CA 3.28Å; V198-G201 PolarHBondContact O-N 3.3Å; V198-Q204 WeakPolarHBondContact O-CB 3.4Å | ||
| 199 | P | 94.4 | Very high | 95.3 | Very high | 111 Ų | 111 | 43.4 Ų | 43.4 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 124.9 | 171.1 | -26.4 | 36.2 | 0 | 0 | 0 | 112 | G201 Q204 | P199-G201 PolarHBondContact O-N 3.22Å; P199-Q204 VanDerWaalsContact CA-OE1 3.3Å |
| 200 | G | 92.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 6.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V198 | V198-G200 PolarHBondContact O-N 2.98Š|
| 201 | G | 93.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | trans | -71.1 | 164.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V198 P199 A203 Q204 S205 | V198-G201 WeakPolarHBondContact O-CA 3.28Å; V198-G201 PolarHBondContact O-N 3.3Å; P199-G201 PolarHBondContact O-N 3.22Å; G201-A203 PolarHBondContact O-N 2.83Å; G201-Q204 PolarHBondContact O-N 3.2Å; G201-S205 WeakPolarHBondContact O-CB 3.43Å; G201-S205 PolarHBondContact O-N 3.3Å; G201-S205 PolarHBondContact O-OG 2.74Å | ||
| 202 | L | 94.2 | Very high | 95.6 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56 | -55.6 | -178.8 | 173.1 | 63.8 | 0 | 0 | 0 | 111.5 | V142 L160 K162 L169 Q204 S205 T206 | V142-L202 HydrophobicContact CG1-CD1 3.43Å; V142-L202 VanDerWaalsContact CG1-CD1 3.43Å; L160-L202 HydrophobicContact CB-CD2 4.32Å; K162-L202 HydrophobicContact CB-CD2 4.33Å; L169-L202 HydrophobicContact CD2-CD2 4.26Å; L169-L202 WeakPolarHBondContact O-CB 3.04Å; L202-Q204 PolarHBondContact O-N 3.07Å; L202-S205 PolarHBondContact O-N 3.15Å; L202-T206 HydrophobicContact CD1-CG2 4.32Å; L202-T206 WeakPolarHBondContact O-CG2 3.45Å; L202-T206 PolarHBondContact O-N 3.46Å; L202-T206 VanDerWaalsContact O-N 3.15Å |
| 203 | A | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.9 | -47.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | L169 F171 L197 G201 S205 T206 L209 | L169-A203 WeakPolarHBondContact O-CB 3.48Å; L169-A203 PolarHBondContact O-N 2.98Å; F171-A203 HydrophobicContact CB-CB 3.91Å; F171-A203 HydrophobicContact CD1-CB 3.67Å; F171-A203 HydrophobicContact CG-CB 4.18Å; L197-A203 HydrophobicContact CD2-CB 4.21Å; G201-A203 PolarHBondContact O-N 2.83Å; A203-S205 PolarHBondContact O-N 3.33Å; A203-T206 PolarHBondContact O-N 2.75Å; A203-T206 PolarHBondContact O-OG1 3.03Å; A203-L209 HydrophobicContact CB-CD1 4.11Å |
| 204 | Q | 94.7 | Very high | 95.5 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 177.3 | -163.7 | -164.4 | 45.8 | 0 | 0 | 111.8 | L197 V198 P199 G201 L202 T206 G207 | L197-Q204 HydrophobicContact CB-CB 4.23Å; L197-Q204 HydrophobicContact CB-CG 4.47Å; L197-Q204 HydrophobicContact CD1-CB 4.38Å; L197-Q204 HydrophobicContact CD1-CG 4.3Å; V198-Q204 WeakPolarHBondContact O-CB 3.4Å; P199-Q204 VanDerWaalsContact CA-OE1 3.3Å; G201-Q204 PolarHBondContact O-N 3.2Å; L202-Q204 PolarHBondContact O-N 3.07Å; Q204-T206 PolarHBondContact O-N 2.93Å; Q204-G207 PolarHBondContact O-N 2.81Å |
| 205 | S | 93.8 | Very high | 95.5 | Very high | 86 Ų | 86 | 43.8 Ų | 43.8 | 60% | 0.601 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.5 | -24 | -177.9 | -56.4 | 0 | 0 | 0 | 0 | 113.2 | G201 L202 A203 | G201-S205 WeakPolarHBondContact O-CB 3.43Å; G201-S205 PolarHBondContact O-N 3.3Å; G201-S205 PolarHBondContact O-OG 2.74Å; L202-S205 PolarHBondContact O-N 3.15Å; A203-S205 PolarHBondContact O-N 3.33Å |
| 206 | T | 93.3 | Very high | 95.5 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79.1 | -24.7 | 174.7 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | V142 S143 L160 L202 A203 Q204 L208 | V142-T206 HydrophobicContact CG1-CG2 4.24Å; S143-T206 VanDerWaalsContact CB-CG2 3.49Å; S143-T206 VanDerWaalsContact OG-CG2 3.28Å; S143-T206 WeakPolarHBondContact OG-CG2 3.38Å; L160-T206 HydrophobicContact CD2-CG2 3.87Å; L202-T206 HydrophobicContact CD1-CG2 4.32Å; L202-T206 WeakPolarHBondContact O-CG2 3.45Å; L202-T206 PolarHBondContact O-N 3.46Å; L202-T206 VanDerWaalsContact O-N 3.15Å; A203-T206 PolarHBondContact O-N 2.75Å; A203-T206 PolarHBondContact O-OG1 3.03Å; Q204-T206 PolarHBondContact O-N 2.93Å; T206-L208 PolarHBondContact O-N 3.18Å; T206-L208 PolarHBondContact OG1-N 3.37Å |
| 207 | G | 94.2 | Very high | 95.5 | Very high | 58 Ų | 58 | 39.6 Ų | 39.6 | 60% | 0.598 | 26% | 0.26 | S | S | * | . | trans | 62.3 | 5.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q204 | Q204-G207 PolarHBondContact O-N 2.81Š| ||
| 208 | L | 95.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -86.9 | -15.9 | -174.4 | -64.2 | -175.5 | 0 | 0 | 0 | 113.7 | I145 R156 V158 T206 | I145-L208 HydrophobicContact CD1-CD2 3.78Å; I145-L208 HydrophobicContact CG1-CD1 3.95Å; I145-L208 HydrophobicContact CG1-CD2 3.78Å; I145-L208 HydrophobicContact CG1-CG 4.49Å; R156-L208 WeakPolarHBondContact CD-O 3.28Å; R156-L208 PolarHBondContact NH1-O 3.24Å; V158-L208 HydrophobicContact CG1-CB 3.86Å; V158-L208 HydrophobicContact CG1-CD1 3.76Å; V158-L208 HydrophobicContact CG1-CG 4.48Å; V158-L208 HydrophobicContact CG2-CB 3.94Å; T206-L208 PolarHBondContact O-N 3.18Å; T206-L208 PolarHBondContact OG1-N 3.37Å |
| 209 | L | 96.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | trans | -124 | 141.9 | 178.2 | -61.6 | 177.6 | 0 | 0 | 0 | 109.7 | V158 L160 F171 I194 A203 I244 V246 | V158-L209 HydrophobicContact CB-CD2 4.38Å; V158-L209 HydrophobicContact CG2-CD2 4.05Å; L160-L209 HydrophobicContact CD1-CD1 4.02Å; F171-L209 HydrophobicContact CD1-CD1 4.36Å; F171-L209 HydrophobicContact CE1-CD1 4.31Å; I194-L209 HydrophobicContact CD1-CB 3.91Å; I194-L209 HydrophobicContact CD1-CD1 4.22Å; I194-L209 HydrophobicContact CD1-CD2 4.19Å; I194-L209 HydrophobicContact CD1-CG 4.33Å; A203-L209 HydrophobicContact CB-CD1 4.11Å; L209-I244 HydrophobicContact CD1-CG2 4.32Å; L209-I244 HydrophobicContact CD2-CG2 4.14Å; L209-V246 HydrophobicContact CD2-CG1 3.94Å; L209-V246 HydrophobicContact CD2-CG2 4.04Å | ||
| 210 | A | 96 | Very high | 95.7 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 28% | 0.281 | 25% | 0.248 | S | C | . | . | trans | -128.1 | 162.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I194 D213 | I194-A210 WeakPolarHBondContact CB-O 3.47Å; A210-D213 PolarHBondContact N-OD2 2.76Å; A210-D213 WeakPolarHBondContact O-CB 3.31Å; A210-D213 VanDerWaalsContact O-CG 3.28Å; A210-D213 PolarHBondContact O-N 2.88Å | ||
| 211 | V | 96.5 | Very high | 96 | Very high | 58 Ų | 58 | 37 Ų | 37 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 140.8 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | S195 L197 D213 | S195-V211 VanDerWaalsContact O-CG1 3.26Å; S195-V211 WeakPolarHBondContact O-CG1 3.35Å; L197-V211 HydrophobicContact CG-CG2 4.1Å; V211-D213 VanDerWaalsContact C-N 3.29Å |
| 212 | N | 96.5 | Very high | 96.2 | Very high | 83 Ų | 83 | 42.1 Ų | 42.1 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 5 | -172.5 | -53.6 | -54.9 | 0 | 0 | 0 | 116.4 | R174 I194 E214 A249 | R174-N212 PolarHBondContact NH2-OD1 3.09Å; I194-N212 PolarHBondContact O-N 2.87Å; N212-E214 PolarHBondContact O-N 2.93Å; N212-A249 HydrophobicContact CB-CB 3.98Å |
| 213 | D | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 130.2 | 167.6 | -70.3 | -6.1 | 0 | 0 | 0 | 109.9 | F193 I194 A210 V211 V246 P248 A249 | F193-D213 WeakPolarHBondContact CA-O 3.44Å; I194-D213 HydrophobicContact CD1-CB 4.17Å; I194-D213 HydrophobicContact CG1-CB 4.41Å; I194-D213 PolarHBondContact N-O 2.92Å; A210-D213 PolarHBondContact N-OD2 2.76Å; A210-D213 WeakPolarHBondContact O-CB 3.31Å; A210-D213 VanDerWaalsContact O-CG 3.28Å; A210-D213 PolarHBondContact O-N 2.88Å; V211-D213 VanDerWaalsContact C-N 3.29Å; D213-V246 HydrophobicContact CB-CB 4.28Å; D213-V246 HydrophobicContact CB-CG2 4.49Å; D213-P248 VanDerWaalsContact OD1-CA 3.24Å; D213-P248 WeakPolarHBondContact OD1-CA 3.27Å; D213-A249 PolarHBondContact OD1-N 2.87Å |
| 214 | E | 97.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.7 | 177.2 | -177.3 | -175.7 | 166.1 | 0 | 0 | 108.5 | S178 R180 I192 F193 N212 L216 V246 R247 | S178-E214 VanDerWaalsContact CB-OE1 3.31Å; S178-E214 WeakPolarHBondContact CB-OE1 3.23Å; S178-E214 PolarHBondContact OG-OE1 3.27Å; S178-E214 VanDerWaalsContact OG-OE1 3.05Å; S178-E214 PolarHBondContact OG-OE2 3.19Å; R180-E214 IonicContact CZ-OE1 3.54Å; R180-E214 IonicContact NE-OE1 3.54Å; R180-E214 IonicContact NH2-OE1 2.71Å; R180-E214 PolarHBondContact NH2-OE1 2.94Å; I192-E214 CarbonylContact O-C 3.54Å; F193-E214 HydrophobicContact CD1-CB 3.95Å; F193-E214 HydrophobicContact CD1-CG 4.43Å; F193-E214 HydrophobicContact CE1-CB 3.67Å; F193-E214 HydrophobicContact CE1-CG 3.91Å; F193-E214 HydrophobicContact CZ-CB 4.39Å; F193-E214 HydrophobicContact CZ-CG 4.12Å; N212-E214 PolarHBondContact O-N 2.93Å; E214-L216 HydrophobicContact CG-CD2 3.93Å; E214-V246 CarbonylContact O-C 3.53Å; E214-V246 WeakPolarHBondContact O-CA 3.33Å; E214-V246 WeakPolarHBondContact O-CB 3.46Å; E214-R247 HydrophobicContact CB-CB 4.25Å; E214-R247 PolarHBondContact N-O 2.92Å; E214-R247 PolarHBondContact O-N 2.91Å; E214-R247 IonicContact OE1-NH1 3.66Å; E214-R247 IonicContact OE2-CZ 2.88Å; E214-R247 IonicContact OE2-NE 2.71Å; E214-R247 IonicContact OE2-NH1 3.84Å; E214-R247 PolarHBondContact OE2-NH1 2.9Å |
| 215 | V | 98 | Very high | 96.1 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 134.6 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 109 | I173 I192 I194 V218 V223 M235 I244 V246 | I173-V215 HydrophobicContact CG2-CG2 4.25Å; I192-V215 HydrophobicContact CB-CB 4.21Å; I192-V215 HydrophobicContact CG2-CB 4.18Å; I192-V215 HydrophobicContact CG2-CG2 4.3Å; I192-V215 PolarHBondContact O-N 2.9Å; I194-V215 HydrophobicContact CG1-CG2 4.19Å; V215-V218 HydrophobicContact CG1-CG2 4.3Å; V215-V223 HydrophobicContact CG1-CG1 4.11Å; V215-V223 HydrophobicContact CG1-CG2 4.46Å; V215-V223 WeakPolarHBondContact O-CG2 3.23Å; V215-M235 HydrophobicContact CG1-CE 3.83Å; V215-M235 HydrophobicContact CG2-CE 4.35Å; V215-I244 HydrophobicContact CG1-CD1 3.94Å; V215-I244 HydrophobicContact CG1-CG1 3.99Å; V215-I244 HydrophobicContact CG2-CD1 4.02Å; V215-V246 HydrophobicContact CG2-CG1 4.38Å |
| 216 | L | 97.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | -39.5 | -173.2 | -61.5 | 173.6 | 0 | 0 | 0 | 112.4 | H155 E214 E222 V223 T245 R247 | H155-L216 WeakPolarHBondContact CD2-CD1 3.32Å; H155-L216 WeakPolarHBondContact NE2-CD1 3.41Å; E214-L216 HydrophobicContact CG-CD2 3.93Å; L216-E222 WeakPolarHBondContact O-CA 3.43Å; L216-V223 PolarHBondContact O-N 2.96Å; L216-T245 PolarHBondContact N-O 2.84Å; L216-R247 HydrophobicContact CD1-CB 3.83Å |
| 217 | E | 98 | Very high | 96.4 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 148.5 | 178.4 | -50.3 | 169.2 | 145.2 | 0 | 0 | 111.1 | R157 I221 E222 I244 T245 | R157-E217 IonicContact CZ-OE2 3.3Å; R157-E217 IonicContact NE-OE2 3.86Å; R157-E217 IonicContact NH2-OE1 2.76Å; R157-E217 IonicContact NH2-OE2 3.58Å; R157-E217 PolarHBondContact NH2-OE2 3.04Å; E217-I221 CarbonylContact C-O 3.42Å; E217-I221 VanDerWaalsContact CA-O 3.29Å; E217-I221 WeakPolarHBondContact CA-O 3.37Å; E217-E222 HydrophobicContact CG-CG 4.35Å; E217-I244 WeakPolarHBondContact O-CA 3.4Å; E217-T245 PolarHBondContact N-O 2.96Å; E217-T245 PolarHBondContact O-N 3.37Å; E217-T245 WeakPolarHBondContact OE2-CB 3.16Å; E217-T245 PolarHBondContact OE2-OG1 2.84Å |
| 218 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.6 | 168.8 | 176 | 0 | 0 | 0 | 0 | 108.7 | V215 G220 I221 V223 V231 M234 M235 L242 | V215-V218 HydrophobicContact CG1-CG2 4.3Å; V218-G220 PolarHBondContact O-N 3.49Å; V218-G220 VanDerWaalsContact O-N 3.14Å; V218-I221 PolarHBondContact N-O 3.03Å; V218-I221 WeakPolarHBondContact O-CB 3.49Å; V218-I221 PolarHBondContact O-N 3.26Å; V218-V223 HydrophobicContact CG2-CG1 4.1Å; V218-V231 HydrophobicContact CG2-CG1 4.42Å; V218-M234 HydrophobicContact CB-CE 3.95Å; V218-M234 HydrophobicContact CG1-CB 4.21Å; V218-M235 HydrophobicContact CG1-CG 4.08Å; V218-M235 HydrophobicContact CG2-CE 3.62Å; V218-M235 HydrophobicContact CG2-CG 3.91Å; V218-L242 HydrophobicContact CG1-CD1 3.77Å |
| 219 | N | 97.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 38.1 | -178.3 | -73.8 | 49.1 | 0 | 0 | 0 | 114.1 | N238 N241 I243 | N219-N238 VanDerWaalsContact CG-CG 3.47Å; N219-N238 WeakPolarHBondContact ND2-CB 2.99Å; N219-N238 VanDerWaalsContact ND2-CG 3.34Å; N219-N238 PolarHBondContact ND2-OD1 3.31Å; N219-N241 PolarHBondContact ND2-O 3.02Å; N219-N241 VanDerWaalsContact ND2-O 3.16Å; N219-I243 PolarHBondContact N-O 3.34Å; N219-I243 PolarHBondContact OD1-N 3.46Å; N219-I243 PolarHBondContact OD1-O 2.89Å |
| 220 | G | 95.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 63% | 0.629 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V218 | V218-G220 PolarHBondContact O-N 3.49Å; V218-G220 VanDerWaalsContact O-N 3.14Å |
| 221 | I | 97.4 | Very high | 96.8 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 43% | 0.431 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.3 | 174.8 | -52.4 | 174.6 | 0 | 0 | 0 | 108.3 | E217 V218 K226 M234 | E217-I221 CarbonylContact C-O 3.42Å; E217-I221 VanDerWaalsContact CA-O 3.29Å; E217-I221 WeakPolarHBondContact CA-O 3.37Å; V218-I221 PolarHBondContact N-O 3.03Å; V218-I221 WeakPolarHBondContact O-CB 3.49Å; V218-I221 PolarHBondContact O-N 3.26Å; I221-K226 VanDerWaalsContact CG2-CE 3.49Å; I221-M234 HydrophobicContact CB-CE 3.67Å; I221-M234 HydrophobicContact CD1-CE 4.3Å; I221-M234 HydrophobicContact CG2-CE 3.68Å; I221-M234 HydrophobicContact CG2-SD 4.35Å |
| 222 | E | 97.2 | Very high | 96.9 | Very high | 118 Ų | 118 | 46.5 Ų | 46.5 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 143.8 | 173.6 | -73.7 | -169.6 | -147.6 | 0 | 0 | 112.1 | L216 E217 S224 K226 | L216-E222 WeakPolarHBondContact O-CA 3.43Å; E217-E222 HydrophobicContact CG-CG 4.35Å; E222-S224 PolarHBondContact OE2-OG 2.85Å; E222-S224 VanDerWaalsContact OE2-OG 3.09Å; E222-K226 WeakPolarHBondContact O-CE 3.17Å |
| 223 | V | 96.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | trans | -90.5 | -9 | 174.5 | -51.4 | 0 | 0 | 0 | 0 | 113.4 | I192 V215 L216 V218 G225 K226 V231 | I192-V223 HydrophobicContact CB-CG2 4.39Å; I192-V223 HydrophobicContact CG1-CB 4.44Å; I192-V223 HydrophobicContact CG1-CG2 4.17Å; V215-V223 HydrophobicContact CG1-CG1 4.11Å; V215-V223 HydrophobicContact CG1-CG2 4.46Å; V215-V223 WeakPolarHBondContact O-CG2 3.23Å; L216-V223 PolarHBondContact O-N 2.96Å; V218-V223 HydrophobicContact CG2-CG1 4.1Å; V223-G225 PolarHBondContact O-N 2.81Å; V223-K226 WeakPolarHBondContact O-CB 2.89Å; V223-K226 PolarHBondContact O-N 3.36Å; V223-K226 VanDerWaalsContact O-N 3.08Å; V223-V231 HydrophobicContact CB-CG1 4.42Å; V223-V231 HydrophobicContact CB-CG2 3.77Å; V223-V231 HydrophobicContact CG1-CG1 3.83Å; V223-V231 HydrophobicContact CG1-CG2 3.89Å | ||
| 224 | S | 93.7 | Very high | 96.9 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 42% | 0.42 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 118.6 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | E222 K226 | E222-S224 PolarHBondContact OE2-OG 2.85Å; E222-S224 VanDerWaalsContact OE2-OG 3.09Å; S224-K226 VanDerWaalsContact C-N 3.33Å; S224-K226 PolarHBondContact O-N 3.31Å |
| 225 | G | 92.6 | Very high | 96.9 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 92% | 0.918 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 9.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | V223 | V223-G225 PolarHBondContact O-N 2.81Š|
| 226 | K | 96.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | trans | -91.6 | 155.7 | 168.8 | -61.9 | -173.2 | -178.3 | -70.2 | 0 | 111 | I221 E222 V223 S224 Q230 V231 M234 | I221-K226 VanDerWaalsContact CG2-CE 3.49Å; E222-K226 WeakPolarHBondContact O-CE 3.17Å; V223-K226 WeakPolarHBondContact O-CB 2.89Å; V223-K226 PolarHBondContact O-N 3.36Å; V223-K226 VanDerWaalsContact O-N 3.08Å; S224-K226 VanDerWaalsContact C-N 3.33Å; S224-K226 PolarHBondContact O-N 3.31Å; K226-Q230 HydrophobicContact CB-CB 4.3Å; K226-V231 HydrophobicContact CB-CG2 3.75Å; K226-V231 HydrophobicContact CD-CG2 4.24Å; K226-M234 HydrophobicContact CD-CE 4.09Å; K226-M234 HydrophobicContact CD-SD 3.52Å; K226-M234 VanDerWaalsContact CD-SD 3.52Å; K226-M234 VanDerWaalsContact CE-SD 3.56Å | ||
| 227 | S | 97 | Very high | 96.6 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | trans | -76.3 | 158.4 | 169.3 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | D229 Q230 V231 | S227-D229 PolarHBondContact O-N 3.07Å; S227-Q230 PolarHBondContact O-N 2.82Å; S227-Q230 VanDerWaalsContact OG-CG 3.32Å; S227-Q230 WeakPolarHBondContact OG-CG 3.46Å; S227-Q230 PolarHBondContact OG-N 3.05Å; S227-V231 WeakPolarHBondContact O-CG2 3.2Å; S227-V231 PolarHBondContact O-N 3.49Å; S227-V231 VanDerWaalsContact O-N 3.08Å | ||
| 228 | L | 97.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.5 | -42.1 | 174.3 | -174.1 | 64 | 0 | 0 | 0 | 112.3 | I173 I192 V231 T232 | I173-L228 HydrophobicContact CB-CD1 4.21Å; I173-L228 HydrophobicContact CD1-CD1 3.87Å; I173-L228 HydrophobicContact CG1-CD1 3.8Å; I192-L228 HydrophobicContact CD1-CD1 4Å; I192-L228 HydrophobicContact CG2-CD1 4.28Å; L228-V231 PolarHBondContact O-N 3.05Å; L228-T232 WeakPolarHBondContact O-CB 3.19Å; L228-T232 PolarHBondContact O-N 2.93Å; L228-T232 PolarHBondContact O-OG1 2.75Å |
| 229 | D | 97.5 | Very high | 96.3 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 178.8 | -54 | -38 | 0 | 0 | 0 | 111.7 | S227 V231 T232 D233 | S227-D229 PolarHBondContact O-N 3.07Å; D229-V231 VanDerWaalsContact C-N 3.27Å; D229-V231 PolarHBondContact O-N 2.71Å; D229-T232 CarbonylContact O-C 3.58Å; D229-T232 WeakPolarHBondContact O-CA 3.41Å; D229-T232 WeakPolarHBondContact O-CB 3.29Å; D229-T232 PolarHBondContact O-N 2.98Å; D229-T232 VanDerWaalsContact O-N 3.09Å; D229-D233 PolarHBondContact O-N 2.81Å |
| 230 | Q | 97.7 | Very high | 96.1 | Very high | 100 Ų | 100 | 63.2 Ų | 63.2 | 47% | 0.467 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 176.7 | -73.5 | 171.9 | -4.6 | 0 | 0 | 112.1 | K226 S227 M234 | K226-Q230 HydrophobicContact CB-CB 4.3Å; S227-Q230 PolarHBondContact O-N 2.82Å; S227-Q230 VanDerWaalsContact OG-CG 3.32Å; S227-Q230 WeakPolarHBondContact OG-CG 3.46Å; S227-Q230 PolarHBondContact OG-N 3.05Å; Q230-M234 WeakPolarHBondContact O-CB 3.48Å; Q230-M234 WeakPolarHBondContact O-CG 3.49Å; Q230-M234 PolarHBondContact O-N 2.83Å |
| 231 | V | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.3 | -36.8 | 177 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | I173 I192 V218 V223 K226 S227 L228 D229 M234 M235 | I173-V231 HydrophobicContact CD1-CB 4.32Å; I173-V231 HydrophobicContact CD1-CG1 3.85Å; I192-V231 HydrophobicContact CG1-CG2 4.23Å; I192-V231 HydrophobicContact CG2-CG1 4.34Å; V218-V231 HydrophobicContact CG2-CG1 4.42Å; V223-V231 HydrophobicContact CB-CG1 4.42Å; V223-V231 HydrophobicContact CB-CG2 3.77Å; V223-V231 HydrophobicContact CG1-CG1 3.83Å; V223-V231 HydrophobicContact CG1-CG2 3.89Å; K226-V231 HydrophobicContact CB-CG2 3.75Å; K226-V231 HydrophobicContact CD-CG2 4.24Å; S227-V231 WeakPolarHBondContact O-CG2 3.2Å; S227-V231 PolarHBondContact O-N 3.49Å; S227-V231 VanDerWaalsContact O-N 3.08Å; L228-V231 PolarHBondContact O-N 3.05Å; D229-V231 VanDerWaalsContact C-N 3.27Å; D229-V231 PolarHBondContact O-N 2.71Å; V231-M234 PolarHBondContact O-N 2.79Å; V231-M235 HydrophobicContact CG1-CE 3.95Å; V231-M235 WeakPolarHBondContact O-CG 3.43Å; V231-M235 PolarHBondContact O-N 3.33Å |
| 232 | T | 97.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | L228 D229 M234 M235 I236 I370 | L228-T232 WeakPolarHBondContact O-CB 3.19Å; L228-T232 PolarHBondContact O-N 2.93Å; L228-T232 PolarHBondContact O-OG1 2.75Å; D229-T232 CarbonylContact O-C 3.58Å; D229-T232 WeakPolarHBondContact O-CA 3.41Å; D229-T232 WeakPolarHBondContact O-CB 3.29Å; D229-T232 PolarHBondContact O-N 2.98Å; D229-T232 VanDerWaalsContact O-N 3.09Å; T232-M234 VanDerWaalsContact C-N 3.32Å; T232-M234 PolarHBondContact O-N 3.4Å; T232-M235 PolarHBondContact O-N 2.59Å; T232-M235 VanDerWaalsContact O-N 3.08Å; T232-I236 HydrophobicContact CG2-CD1 3.74Å; T232-I236 HydrophobicContact CG2-CG1 4.41Å; T232-I236 WeakPolarHBondContact O-CG1 3.26Å; T232-I236 PolarHBondContact O-N 2.96Å; T232-I370 HydrophobicContact CG2-CD1 4Å; T232-I370 HydrophobicContact CG2-CG1 3.91Å |
| 233 | D | 97.2 | Very high | 96.1 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.7 | -43.6 | 175.8 | -74.2 | -22.4 | 0 | 0 | 0 | 111.9 | D229 M235 I236 A237 | D229-D233 PolarHBondContact O-N 2.81Å; D233-M235 VanDerWaalsContact C-N 3.32Å; D233-M235 PolarHBondContact O-N 3.15Å; D233-I236 PolarHBondContact O-N 3.08Å; D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.34Å; D233-A237 PolarHBondContact O-N 3.49Å |
| 234 | M | 97.4 | Very high | 96.2 | Very high | 28 Ų | 28 | 54.8 Ų | 54.8 | 14% | 0.138 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 175.3 | -77.7 | 170.1 | 43.3 | 0 | 0 | 112.3 | V218 I221 K226 Q230 V231 T232 N238 | V218-M234 HydrophobicContact CB-CE 3.95Å; V218-M234 HydrophobicContact CG1-CB 4.21Å; I221-M234 HydrophobicContact CB-CE 3.67Å; I221-M234 HydrophobicContact CD1-CE 4.3Å; I221-M234 HydrophobicContact CG2-CE 3.68Å; I221-M234 HydrophobicContact CG2-SD 4.35Å; K226-M234 HydrophobicContact CD-CE 4.09Å; K226-M234 HydrophobicContact CD-SD 3.52Å; K226-M234 VanDerWaalsContact CD-SD 3.52Å; K226-M234 VanDerWaalsContact CE-SD 3.56Å; Q230-M234 WeakPolarHBondContact O-CB 3.48Å; Q230-M234 WeakPolarHBondContact O-CG 3.49Å; Q230-M234 PolarHBondContact O-N 2.83Å; V231-M234 PolarHBondContact O-N 2.79Å; T232-M234 VanDerWaalsContact C-N 3.32Å; T232-M234 PolarHBondContact O-N 3.4Å; M234-N238 WeakPolarHBondContact O-CB 3.31Å; M234-N238 PolarHBondContact O-N 3.2Å; M234-N238 PolarHBondContact O-ND2 3.08Å |
| 235 | M | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.9 | -38.8 | 175 | -69.4 | -174.3 | -175.8 | 0 | 0 | 112.5 | F171 I173 V215 V218 V231 T232 D233 N238 S239 L242 I244 | F171-M235 HydrophobicContact CE2-CE 4.19Å; F171-M235 HydrophobicContact CE2-SD 3.69Å; F171-M235 HydrophobicContact CZ-CE 4.38Å; F171-M235 HydrophobicContact CZ-SD 3.66Å; I173-M235 HydrophobicContact CD1-CE 4.25Å; I173-M235 HydrophobicContact CD1-SD 4.17Å; I173-M235 HydrophobicContact CG2-CE 4.19Å; I173-M235 HydrophobicContact CG2-SD 4.44Å; V215-M235 HydrophobicContact CG1-CE 3.83Å; V215-M235 HydrophobicContact CG2-CE 4.35Å; V218-M235 HydrophobicContact CG1-CG 4.08Å; V218-M235 HydrophobicContact CG2-CE 3.62Å; V218-M235 HydrophobicContact CG2-CG 3.91Å; V231-M235 HydrophobicContact CG1-CE 3.95Å; V231-M235 WeakPolarHBondContact O-CG 3.43Å; V231-M235 PolarHBondContact O-N 3.33Å; T232-M235 PolarHBondContact O-N 2.59Å; T232-M235 VanDerWaalsContact O-N 3.08Å; D233-M235 VanDerWaalsContact C-N 3.32Å; D233-M235 PolarHBondContact O-N 3.15Å; M235-N238 CarbonylContact O-C 3.55Å; M235-N238 PolarHBondContact O-N 3.44Å; M235-S239 VanDerWaalsContact O-CA 3.28Å; M235-S239 WeakPolarHBondContact O-CA 3.34Å; M235-S239 WeakPolarHBondContact O-CB 3.22Å; M235-S239 PolarHBondContact O-N 3.41Å; M235-L242 HydrophobicContact CB-CD1 4.26Å; M235-L242 HydrophobicContact CG-CD1 4.17Å; M235-I244 HydrophobicContact CE-CD1 3.65Å; M235-I244 HydrophobicContact CE-CG1 4.44Å |
| 236 | I | 94.2 | Very high | 96.6 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.5 | -49 | 178.2 | -69.2 | 168.4 | 0 | 0 | 0 | 110.5 | T232 D233 N238 S239 I370 | T232-I236 HydrophobicContact CG2-CD1 3.74Å; T232-I236 HydrophobicContact CG2-CG1 4.41Å; T232-I236 WeakPolarHBondContact O-CG1 3.26Å; T232-I236 PolarHBondContact O-N 2.96Å; D233-I236 PolarHBondContact O-N 3.08Å; I236-N238 PolarHBondContact O-N 3.01Å; I236-S239 WeakPolarHBondContact O-CB 3.41Å; I236-S239 PolarHBondContact O-N 3.41Å; I236-S239 PolarHBondContact O-OG 3.47Å; I236-I370 HydrophobicContact CD1-CG2 4.19Å; I236-I370 HydrophobicContact CG1-CG2 3.97Å |
| 237 | A | 94.8 | Very high | 96.6 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 69% | 0.694 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -58.3 | -35.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D233 | D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.34Å; D233-A237 PolarHBondContact O-N 3.49Å |
| 238 | N | 95.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 45.5 Ų | 45.5 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.8 | 178.4 | -68.4 | -78.1 | 0 | 0 | 0 | 113.9 | N219 M234 M235 I236 R240 N241 L242 | N219-N238 VanDerWaalsContact CG-CG 3.47Å; N219-N238 WeakPolarHBondContact ND2-CB 2.99Å; N219-N238 VanDerWaalsContact ND2-CG 3.34Å; N219-N238 PolarHBondContact ND2-OD1 3.31Å; M234-N238 WeakPolarHBondContact O-CB 3.31Å; M234-N238 PolarHBondContact O-N 3.2Å; M234-N238 PolarHBondContact O-ND2 3.08Å; M235-N238 CarbonylContact O-C 3.55Å; M235-N238 PolarHBondContact O-N 3.44Å; I236-N238 PolarHBondContact O-N 3.01Å; N238-R240 PolarHBondContact O-N 2.81Å; N238-N241 CarbonylContact O-C 3.59Å; N238-N241 PolarHBondContact O-N 3.25Å; N238-L242 HydrophobicContact CB-CD1 4.14Å; N238-L242 PolarHBondContact O-N 2.86Å |
| 239 | S | 93.5 | Very high | 96.1 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.2 | -165.8 | 59.2 | 0 | 0 | 0 | 0 | 115.7 | K162 M235 I236 | K162-S239 WeakPolarHBondContact CB-O 3.27Å; M235-S239 VanDerWaalsContact O-CA 3.28Å; M235-S239 WeakPolarHBondContact O-CA 3.34Å; M235-S239 WeakPolarHBondContact O-CB 3.22Å; M235-S239 PolarHBondContact O-N 3.41Å; I236-S239 WeakPolarHBondContact O-CB 3.41Å; I236-S239 PolarHBondContact O-N 3.41Å; I236-S239 PolarHBondContact O-OG 3.47Å |
| 240 | R | 93.2 | Very high | 95.2 | Very high | 193 Ų | 193 | 47.2 Ų | 47.2 | 73% | 0.728 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33 | 173.9 | -68.4 | -178.9 | -179.5 | 155 | 1 | 113.3 | K162 N238 | K162-R240 PolarHBondContact N-O 2.76Å; N238-R240 PolarHBondContact O-N 2.81Å |
| 241 | N | 95.6 | Very high | 93.9 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 69.6 | -173.6 | -166 | -24.2 | 0 | 0 | 0 | 108.4 | R159 N219 N238 | R159-N241 PolarHBondContact NE-OD1 3.15Å; R159-N241 PolarHBondContact NH2-ND2 3.02Å; R159-N241 PolarHBondContact NH2-OD1 2.74Å; N219-N241 PolarHBondContact ND2-O 3.02Å; N219-N241 VanDerWaalsContact ND2-O 3.16Å; N238-N241 CarbonylContact O-C 3.59Å; N238-N241 PolarHBondContact O-N 3.25Å |
| 242 | L | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 132.2 | -176.3 | -174.5 | 74.2 | 0 | 0 | 0 | 109.2 | R159 L160 L169 F171 V218 M235 N238 I244 | R159-L242 CarbonylContact C-O 3.45Å; R159-L242 VanDerWaalsContact CA-O 3.29Å; R159-L242 WeakPolarHBondContact CA-O 3.43Å; L160-L242 HydrophobicContact CB-CB 4.43Å; L160-L242 HydrophobicContact CD1-CD2 4.46Å; L160-L242 PolarHBondContact N-O 2.75Å; L160-L242 PolarHBondContact O-N 3.08Å; L169-L242 HydrophobicContact CD1-CD2 3.89Å; L169-L242 HydrophobicContact CD2-CB 4.46Å; L169-L242 HydrophobicContact CD2-CD2 4.32Å; F171-L242 HydrophobicContact CE1-CD2 4.17Å; F171-L242 HydrophobicContact CZ-CD2 4.04Å; V218-L242 HydrophobicContact CG1-CD1 3.77Å; M235-L242 HydrophobicContact CB-CD1 4.26Å; M235-L242 HydrophobicContact CG-CD1 4.17Å; N238-L242 HydrophobicContact CB-CD1 4.14Å; N238-L242 PolarHBondContact O-N 2.86Å; L242-I244 HydrophobicContact CD2-CB 4.33Å; L242-I244 HydrophobicContact CD2-CG2 4.49Å; L242-I244 HydrophobicContact CG-CB 4.45Å |
| 243 | I | 98 | Very high | 90.4 | Very high | 37 Ų | 37 | 64.1 Ų | 64.1 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.1 | 167.6 | -64.3 | 171.3 | 0 | 0 | 0 | 106.3 | I146 R157 V158 R159 N219 | I146-I243 HydrophobicContact CD1-CD1 4.38Å; I146-I243 HydrophobicContact CD1-CG1 4.5Å; I146-I243 HydrophobicContact CD1-CG2 3.89Å; R157-I243 HydrophobicContact CG-CG2 3.65Å; V158-I243 WeakPolarHBondContact O-CA 3.11Å; R159-I243 HydrophobicContact CB-CG1 4.3Å; R159-I243 HydrophobicContact CG-CG1 3.9Å; N219-I243 PolarHBondContact N-O 3.34Å; N219-I243 PolarHBondContact OD1-N 3.46Å; N219-I243 PolarHBondContact OD1-O 2.89Å |
| 244 | I | 98.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.3 | -178.4 | -170 | 177.2 | 0 | 0 | 0 | 109.5 | R157 V158 F171 L209 V215 E217 M235 L242 V246 | R157-I244 WeakPolarHBondContact CA-O 3.32Å; V158-I244 HydrophobicContact CB-CG2 4.05Å; V158-I244 PolarHBondContact N-O 2.8Å; V158-I244 PolarHBondContact O-N 3.29Å; F171-I244 HydrophobicContact CE2-CD1 4.29Å; F171-I244 HydrophobicContact CZ-CD1 4.15Å; L209-I244 HydrophobicContact CD1-CG2 4.32Å; L209-I244 HydrophobicContact CD2-CG2 4.14Å; V215-I244 HydrophobicContact CG1-CD1 3.94Å; V215-I244 HydrophobicContact CG1-CG1 3.99Å; V215-I244 HydrophobicContact CG2-CD1 4.02Å; E217-I244 WeakPolarHBondContact O-CA 3.4Å; M235-I244 HydrophobicContact CE-CD1 3.65Å; M235-I244 HydrophobicContact CE-CG1 4.44Å; L242-I244 HydrophobicContact CD2-CB 4.33Å; L242-I244 HydrophobicContact CD2-CG2 4.49Å; L242-I244 HydrophobicContact CG-CB 4.45Å; I244-V246 HydrophobicContact CD1-CG1 3.96Å; I244-V246 HydrophobicContact CG1-CG1 3.9Å |
| 245 | T | 97.9 | Very high | 86.9 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.9 | 169.9 | -52.9 | 0 | 0 | 0 | 0 | 108.3 | L151 R156 R157 L216 E217 | L151-T245 HydrophobicContact CD2-CG2 4.47Å; R156-T245 WeakPolarHBondContact O-CA 3.48Å; R157-T245 HydrophobicContact CB-CG2 4.49Å; R157-T245 WeakPolarHBondContact CG-OG1 3.34Å; R157-T245 PolarHBondContact NE-OG1 3.2Å; L216-T245 PolarHBondContact N-O 2.84Å; E217-T245 PolarHBondContact N-O 2.96Å; E217-T245 PolarHBondContact O-N 3.37Å; E217-T245 WeakPolarHBondContact OE2-CB 3.16Å; E217-T245 PolarHBondContact OE2-OG1 2.84Å |
| 246 | V | 97.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 158.7 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | H155 R156 L209 D213 E214 V215 I244 P248 | H155-V246 CarbonylContact C-O 3.46Å; H155-V246 WeakPolarHBondContact CA-O 3.37Å; R156-V246 HydrophobicContact CB-CG2 4.2Å; R156-V246 PolarHBondContact N-O 2.67Å; R156-V246 PolarHBondContact O-N 2.99Å; L209-V246 HydrophobicContact CD2-CG1 3.94Å; L209-V246 HydrophobicContact CD2-CG2 4.04Å; D213-V246 HydrophobicContact CB-CB 4.28Å; D213-V246 HydrophobicContact CB-CG2 4.49Å; E214-V246 CarbonylContact O-C 3.53Å; E214-V246 WeakPolarHBondContact O-CA 3.33Å; E214-V246 WeakPolarHBondContact O-CB 3.46Å; V215-V246 HydrophobicContact CG2-CG1 4.38Å; I244-V246 HydrophobicContact CD1-CG1 3.96Å; I244-V246 HydrophobicContact CG1-CG1 3.9Å; V246-P248 HydrophobicContact CG2-CG 4.45Å |
| 247 | R | 95.9 | Very high | 82.9 | Confident | 65 Ų | 65 | 73 Ų | 73 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 110.3 | 160.2 | 166.9 | -171 | -58.9 | 162.8 | -3.2 | 107.6 | E214 L216 | E214-R247 HydrophobicContact CB-CB 4.25Å; E214-R247 PolarHBondContact N-O 2.92Å; E214-R247 PolarHBondContact O-N 2.91Å; E214-R247 IonicContact OE1-NH1 3.66Å; E214-R247 IonicContact OE2-CZ 2.88Å; E214-R247 IonicContact OE2-NE 2.71Å; E214-R247 IonicContact OE2-NH1 3.84Å; E214-R247 PolarHBondContact OE2-NH1 2.9Å; L216-R247 HydrophobicContact CD1-CB 3.83Å |
| 248 | P | 94.6 | Very high | 80.5 | Confident | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.039 | 37% | 0.373 | C | S | . | . | trans | -62.6 | 136.8 | -177.8 | -25.7 | 35.9 | 0 | 0 | 0 | 112.7 | T154 R156 D213 V246 N250 | T154-P248 WeakPolarHBondContact O-CD 3.32Å; R156-P248 HydrophobicContact CB-CG 4.11Å; D213-P248 VanDerWaalsContact OD1-CA 3.24Å; D213-P248 WeakPolarHBondContact OD1-CA 3.27Å; V246-P248 HydrophobicContact CG2-CG 4.45Å; P248-N250 VanDerWaalsContact C-N 3.31Å; P248-N250 PolarHBondContact O-N 2.85Å | ||
| 249 | A | 89.3 | Confident | 78.1 | Confident | 50 Ų | 50 | 78.6 Ų | 78.6 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -63 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N212 D213 | N212-A249 HydrophobicContact CB-CB 3.98Å; D213-A249 PolarHBondContact OD1-N 2.87Å |
| 250 | N | 79.7 | Confident | 76.3 | Confident | 104 Ų | 104 | 88 Ų | 88 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | trans | -102.5 | 85.9 | 177.9 | -72.1 | -47.3 | 0 | 0 | 0 | 110.5 | P248 R252 N253 | P248-N250 VanDerWaalsContact C-N 3.31Å; P248-N250 PolarHBondContact O-N 2.85Å; N250-R252 PolarHBondContact O-N 2.88Å; N250-R252 VanDerWaalsContact O-N 3.07Å; N250-N253 PolarHBondContact O-N 3.22Å | ||
| 251 | Q | 69.6 | Low | 74.3 | Confident | 106 Ų | 106 | 85.1 Ų | 85.1 | 50% | 0.495 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -59.8 | -20.6 | 179.5 | -65 | -174.6 | 6.2 | 0 | 0 | 113.6 | N253 N254 | Q251-N253 PolarHBondContact O-N 3.25Å; Q251-N253 VanDerWaalsContact O-N 3.15Å; Q251-N254 PolarHBondContact O-N 2.9Å |
| 252 | R | 64.9 | Low | 71.7 | Confident | 239 Ų | 239 | 88.3 Ų | 88.3 | 90% | 0.902 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -53.9 | -27.1 | 169 | -103.1 | -179.5 | 167 | 150.8 | -3.9 | 114.4 | N250 | N250-R252 PolarHBondContact O-N 2.88Å; N250-R252 VanDerWaalsContact O-N 3.07Å |
| 253 | N | 57.7 | Low | 69.3 | Low | 123 Ų | 123 | 92.4 Ų | 92.4 | 66% | 0.658 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -97 | 4.4 | 179.4 | -73.9 | 8.8 | 0 | 0 | 0 | 113.1 | R156 N250 Q251 | R156-N253 VanDerWaalsContact NH2-C 3.31Å; R156-N253 PolarHBondContact NH2-O 2.93Å; N250-N253 PolarHBondContact O-N 3.22Å; Q251-N253 PolarHBondContact O-N 3.25Å; Q251-N253 VanDerWaalsContact O-N 3.15Å |
| 254 | N | 60.1 | Low | 66.6 | Low | 22 Ų | 22 | 96.3 Ų | 96.3 | 12% | 0.118 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -67.3 | 143.6 | 168.6 | -115.2 | 8 | 0 | 0 | 0 | 109.9 | E153 H155 R156 Q251 V256 | E153-N254 PolarHBondContact O-ND2 3.01Å; H155-N254 PolarHBondContact O-ND2 2.92Å; H155-N254 VanDerWaalsContact O-ND2 3.08Å; R156-N254 VanDerWaalsContact CZ-OD1 3.31Å; R156-N254 PolarHBondContact NE-OD1 3.35Å; R156-N254 VanDerWaalsContact NH2-CA 3.35Å; R156-N254 PolarHBondContact NH2-OD1 2.81Å; Q251-N254 PolarHBondContact O-N 2.9Å; N254-V256 VanDerWaalsContact C-N 3.25Å; N254-V256 WeakPolarHBondContact O-CG2 3.29Å; N254-V256 PolarHBondContact O-N 2.88Å |
| 255 | V | 59.4 | Low | 64.2 | Low | 102 Ų | 102 | 101.5 Ų | 101.5 | 62% | 0.618 | 56% | 0.561 | S | S | * | * | trans | -68.6 | 91.3 | -177.9 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | I145 R257 | I145-V255 HydrophobicContact CD1-CG2 3.56Å; V255-R257 PolarHBondContact O-N 3.28Å | ||
| 256 | V | 56.1 | Low | 61.5 | Low | 93 Ų | 93 | 104.8 Ų | 104.8 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | trans | -59.4 | 130.7 | -177.3 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | N254 N258 | N254-V256 VanDerWaalsContact C-N 3.25Å; N254-V256 WeakPolarHBondContact O-CG2 3.29Å; N254-V256 PolarHBondContact O-N 2.88Å; V256-N258 PolarHBondContact O-N 3.18Å | ||
| 257 | R | 52.8 | Low | 58.7 | Low | 171 Ų | 171 | 113.9 Ų | 113.9 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | trans | -61.4 | 106.3 | 175.5 | -164.8 | -179.7 | -147.7 | 173.9 | 11.9 | 108 | D149 V255 S259 | D149-R257 IonicContact OD1-CZ 3.59Å; D149-R257 IonicContact OD1-NH2 3.79Å; D149-R257 PolarHBondContact OD1-NH2 3.08Å; V255-R257 PolarHBondContact O-N 3.28Å; R257-S259 PolarHBondContact O-N 2.87Å; R257-S259 PolarHBondContact O-OG 3.38Å | ||
| 258 | N | 43.2 | Very low | 56.1 | Low | 166 Ų | 166 | 116.5 Ų | 116.5 | 89% | 0.888 | 67% | 0.667 | S | S | * | * | trans | -64.8 | 76.2 | 168.6 | -87.4 | 82.4 | 0 | 0 | 0 | 109.8 | V256 R260 | V256-N258 PolarHBondContact O-N 3.18Å; N258-R260 VanDerWaalsContact C-N 3.27Å; N258-R260 PolarHBondContact O-N 3.09Å | ||
| 259 | S | 46.1 | Very low | 53.4 | Low | 90 Ų | 90 | 122.2 Ų | 122.2 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | trans | -78.3 | 80.7 | 177.7 | 45.8 | 0 | 0 | 0 | 0 | 110.4 | R257 | R257-S259 PolarHBondContact O-N 2.87Å; R257-S259 PolarHBondContact O-OG 3.38Å | ||
| 260 | R | 56.2 | Low | 50.8 | Low | 221 Ų | 221 | 126.9 Ų | 126.9 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 73.9 | 124.9 | 150.3 | -47.4 | 171.4 | -164.3 | 177.9 | 5 | 116.4 | N258 | N258-R260 VanDerWaalsContact C-N 3.27Å; N258-R260 PolarHBondContact O-N 3.09Å |
| 261 | T | 49.4 | Very low | 48.7 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | 49.4 | 90.8 | 151.8 | 63.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 262 | S | 42 | Very low | 47.1 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -161 | 116.9 | 138.7 | -82.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 263 | G | 47.4 | Very low | 45.7 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | trans | -81.8 | 117.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 264 | S | 40.7 | Very low | 44.7 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -153.1 | 130.8 | 150.9 | -166.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 265 | S | 47.2 | Very low | 43.2 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -82 | 138.8 | 172.8 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 266 | G | 42.9 | Very low | 41.7 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 64.7 | 119.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 267 | Q | 37.9 | Very low | 41.1 | Very low | 190 Ų | 190 | 132.3 Ų | 132.3 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | 179.3 | 152.6 | 99.4 | -93.8 | -177.6 | 27.2 | 0 | 0 | 110.5 | |||||
| 268 | S | 40.3 | Very low | 40 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -109.2 | 121.5 | 170.9 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 269 | T | 38.9 | Very low | 39.3 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -161.4 | 121.8 | 152.9 | 26.1 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 270 | D | 34.8 | Very low | 38.4 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | 83.5 | 135.9 | 76.1 | -159.4 | -63.3 | 0 | 0 | 0 | 112.5 | |||||
| 271 | N | 36 | Very low | 37.1 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -44.2 | 144.6 | -168.4 | -76.1 | -23.5 | 0 | 0 | 0 | 118 | ||||
| 272 | S | 35.3 | Very low | 36.5 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | 170.6 | 138.1 | 97.2 | -78.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 273 | L | 34.5 | Very low | 35.6 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | 67.3 | 126.4 | 150.2 | -62.7 | 169.7 | 0 | 0 | 0 | 121.3 | ||||
| 274 | L | 37 | Very low | 34.4 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -88.1 | 136.7 | 168.1 | -75 | 155.6 | 0 | 0 | 0 | 110.5 | ||||
| 275 | G | 29.2 | Very low | 33.8 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 178 | 109.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 276 | S | 27.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -145.6 | 166.5 | 177.3 | -52.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 277 | P | 45.1 | Very low | 32.9 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -128.7 | -179.8 | -31.4 | 32.8 | -15.9 | 0 | 0 | 0 | 111.2 | ||||
| 278 | Q | 27.7 | Very low | 32.6 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | 177.4 | 153.6 | 125.6 | -99.3 | 169.8 | 29.3 | 0 | 0 | 115.2 | |||||
| 279 | H | 28.7 | Very low | 32.3 | Very low | 175 Ų | 175 | 142 Ų | 142 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 102.3 | 153.6 | 156 | -126.3 | -89.5 | 0 | 0 | 0 | 120.1 | ||||
| 280 | I | 28.7 | Very low | 32 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 70% | 0.697 | 80% | 0.799 | S | S | * | * | trans | -125.6 | 156.6 | -145.9 | -74.5 | 164.6 | 0 | 0 | 0 | 110.7 | ||||
| 281 | E | 28.4 | Very low | 32 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | 90.1 | 158.8 | 159.3 | -95.7 | -163.3 | 165 | 0 | 0 | 119.8 | ||||
| 282 | P | 37.4 | Very low | 32 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | -127.2 | -174.8 | -127.6 | 41.2 | -22.6 | 0 | 0 | 0 | 113.4 | |||||
| 283 | S | 22.2 | Very low | 32.1 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 154.4 | 141.4 | 135.4 | -73.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 284 | C | 23.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 56.8 | 117.1 | 147.4 | -58.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 285 | E | 27.1 | Very low | 32.2 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -60.8 | 171.3 | 141.8 | -64.4 | -167.2 | 153.2 | 0 | 0 | 110.6 | ||||
| 286 | P | 42 | Very low | 33.1 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | cis | -149.6 | -158.6 | 29.9 | 37.5 | -11.2 | 0 | 0 | 0 | 117 | ||||
| 287 | E | 28.2 | Very low | 33.5 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 92.6 | 99.3 | 155.8 | -69.5 | 165 | -161.7 | 0 | 0 | 118.4 | ||||
| 288 | D | 32.2 | Very low | 33.4 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | 40.7 | 127.1 | 118 | -48.9 | -33.5 | 0 | 0 | 0 | 120.5 | |||||
| 289 | E | 34.2 | Very low | 33.9 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | -166.5 | 145.7 | 116.3 | -107.7 | -179.1 | 151.3 | 0 | 0 | 112.2 | |||||
| 290 | D | 32.4 | Very low | 34.2 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -67.9 | 148.3 | 170.8 | -80.8 | -46.9 | 0 | 0 | 0 | 111.4 | ||||
| 291 | S | 34.7 | Very low | 34.4 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -154.8 | 111.5 | 145.5 | -167.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 292 | D | 35.7 | Very low | 34.7 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | trans | -73.1 | -179.9 | 167.2 | -83.2 | -53.4 | 0 | 0 | 0 | 111.6 | ||||
| 293 | E | 37.5 | Very low | 34.9 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 62.1 | 101.1 | 149.5 | 74.6 | -150.5 | 139.7 | 0 | 0 | 121.2 | ||||
| 294 | D | 37.3 | Very low | 35.6 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -154.4 | 95.1 | 142.7 | -107.9 | -33.2 | 0 | 0 | 0 | 110.8 | ||||
| 295 | D | 37.1 | Very low | 36.1 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -79.6 | 114.2 | 171.5 | -99.3 | -29.2 | 0 | 0 | 0 | 110.1 | ||||
| 296 | I | 47.8 | Very low | 36.5 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -96 | 110.5 | 175.1 | -59.7 | -178.1 | 0 | 0 | 0 | 111.3 | ||||
| 297 | I | 36.9 | Very low | 36.3 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -65.1 | 133.3 | 174.4 | -56.5 | 158.2 | 0 | 0 | 0 | 110.1 | E299 | I297-E299 HydrophobicContact CG2-CG 4.26Š| ||
| 298 | I | 41.1 | Very low | 36.6 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -113.4 | 110.6 | 164.4 | -58.7 | 179.6 | 0 | 0 | 0 | 108.1 | ||||
| 299 | E | 38.2 | Very low | 36.8 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -72.2 | 139.2 | 177.5 | -67.4 | -171.5 | 133.4 | 0 | 0 | 112.1 | I297 | I297-E299 HydrophobicContact CG2-CG 4.26Š| ||
| 300 | D | 35.6 | Very low | 36.7 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | -76.9 | 128.9 | 172.3 | 171.8 | 43.7 | 0 | 0 | 0 | 111.2 | ||||
| 301 | N | 33.6 | Very low | 36.9 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -173.3 | 96.6 | 154.8 | -102.5 | -48.3 | 0 | 0 | 0 | 111.2 | ||||
| 302 | G | 33.7 | Very low | 36.9 | Very low | 66 Ų | 66 | 146.8 Ų | 146.8 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | -174.1 | 95.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 303 | V | 42.8 | Very low | 36.6 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135.7 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | Q305 | V303-Q305 PolarHBondContact O-N 3.31Š|
| 304 | P | 36.3 | Very low | 36.4 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 118.4 | -176.7 | 27 | -35 | 0 | 0 | 0 | 113 | ||
| 305 | Q | 33.5 | Very low | 36.1 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 142 | 171.8 | -80.5 | -176.5 | -21.4 | 0 | 0 | 112.3 | V303 | V303-Q305 PolarHBondContact O-N 3.31Š|
| 306 | Q | 35.8 | Very low | 35.9 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 135.3 | -177 | -62.8 | 178.7 | 3.7 | 0 | 0 | 111.8 | ||
| 307 | I | 38 | Very low | 35.2 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 133.9 | 170 | -59 | 172.2 | 0 | 0 | 0 | 108.9 | ||
| 308 | P | 35.5 | Very low | 34.8 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 138.8 | -175.8 | -25.7 | 35.2 | 0 | 0 | 0 | 114.6 | ||
| 309 | K | 34.8 | Very low | 34.3 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.6 | 167.8 | -84.5 | 176.1 | 172.2 | 173.2 | 0 | 110.7 | ||
| 310 | A | 33 | Very low | 33.9 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 135.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 311 | V | 37.2 | Very low | 33.6 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 131.6 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 109 | N313 | V311-N313 PolarHBondContact O-N 3.32Š|
| 312 | P | 34.5 | Very low | 33.4 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -80.7 | 114.1 | 169.7 | 31.5 | -29.8 | 0 | 0 | 0 | 109.4 | T314 | P312-T314 PolarHBondContact O-N 2.82Š| ||
| 313 | N | 28.7 | Very low | 33.3 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -73.8 | 116.9 | 165.2 | -90.5 | 9.8 | 0 | 0 | 0 | 109.3 | V311 | V311-N313 PolarHBondContact O-N 3.32Š| ||
| 314 | T | 34 | Very low | 32.5 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | trans | -85.1 | 117 | 168.9 | 48.8 | 0 | 0 | 0 | 0 | 110 | P312 | P312-T314 PolarHBondContact O-N 2.82Š| ||
| 315 | E | 30.1 | Very low | 32.2 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 95% | 0.949 | 82% | 0.818 | S | S | * | * | trans | -139.7 | 148.3 | 139.2 | -73.9 | -156.3 | 128.9 | 0 | 0 | 108.5 | ||||
| 316 | S | 33.6 | Very low | 31.8 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -111.4 | -174 | -158.4 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 317 | L | 31.6 | Very low | 31.4 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | 101.9 | 136.7 | 169 | -57.1 | 173.3 | 0 | 0 | 0 | 114.8 | ||||
| 318 | E | 29.2 | Very low | 30.8 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | cis | -158.3 | 157.7 | -25.6 | -140.2 | 170.9 | -166 | 0 | 0 | 108.5 | ||||
| 319 | S | 31.1 | Very low | 30.4 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -79.7 | 128.2 | -176.1 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 320 | L | 28.6 | Very low | 30.2 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -133.4 | 91.7 | 163.3 | -81.4 | 176.5 | 0 | 0 | 0 | 112.3 | ||||
| 321 | T | 30.5 | Very low | 30.1 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -107.5 | 96 | 158.9 | 49.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 322 | Q | 28.4 | Very low | 29.6 | Very low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | -174.6 | 109.7 | 162 | -111.6 | 166.3 | -2.8 | 0 | 0 | 110.4 | ||||
| 323 | I | 32 | Very low | 29.3 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 92% | 0.923 | 82% | 0.822 | S | S | * | * | trans | -132.8 | 136 | 142.7 | -65.4 | -172.2 | 0 | 0 | 0 | 106.5 | ||||
| 324 | E | 27.2 | Very low | 29.1 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | trans | -103.5 | 152 | -157.6 | -165.7 | 171.4 | 149.9 | 0 | 0 | 111.7 | S326 | E324-S326 PolarHBondContact O-N 2.89Š| ||
| 325 | L | 28.4 | Very low | 28.9 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -82 | 106 | 173.6 | -75.5 | 162.8 | 0 | 0 | 0 | 109.7 | F327 | L325-F327 PolarHBondContact O-N 3.22Š| ||
| 326 | S | 26 | Very low | 29.4 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -91.2 | 98.3 | 172 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | E324 | E324-S326 PolarHBondContact O-N 2.89Š| ||
| 327 | F | 27.3 | Very low | 29.2 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | trans | -89.7 | 127 | 163 | -117.4 | -93 | 0 | 0 | 0 | 108.6 | L325 | L325-F327 PolarHBondContact O-N 3.22Š| ||
| 328 | E | 24.8 | Very low | 29 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -126.2 | 155.3 | 162.3 | -85.2 | -160.2 | 102.8 | 0 | 0 | 110.9 | ||||
| 329 | S | 28.6 | Very low | 29 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -142.7 | 131.7 | -162.4 | 147.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 330 | G | 28.8 | Very low | 29 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | 100.2 | 149.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 331 | Q | 30.8 | Very low | 29.1 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | cis | -162.6 | 148.4 | 1.1 | -125 | -179.9 | 3.8 | 0 | 0 | 111 | ||||
| 332 | N | 28.7 | Very low | 29 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 61.3 | 132 | 152.6 | -53.3 | -26.5 | 0 | 0 | 0 | 121.4 | ||||
| 333 | G | 26.9 | Very low | 29.2 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 160.1 | 95.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 334 | F | 24.8 | Very low | 29.8 | Very low | 214 Ų | 214 | 136.8 Ų | 136.8 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | -27.4 | 162.1 | 166.2 | -122.1 | -111.8 | 0 | 0 | 0 | 122.2 | ||||
| 335 | I | 30.1 | Very low | 30 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -114 | 135.6 | -178.7 | -73.4 | 167.8 | 0 | 0 | 0 | 108.8 | ||||
| 336 | P | 41 | Very low | 30.1 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | -160 | 162.2 | 90.3 | 43.8 | -23.5 | 0 | 0 | 0 | 120.8 | |||||
| 337 | S | 27.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | 54.8 | 128.3 | 139.1 | -57 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 338 | N | 27.9 | Very low | 30.4 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | -171.5 | 128.5 | 102.4 | -88.4 | -6 | 0 | 0 | 0 | 109.3 | |||||
| 339 | E | 29.8 | Very low | 30.8 | Very low | 171 Ų | 171 | 123.6 Ų | 123.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | 49.9 | 129 | 97.1 | -60.5 | -153.8 | 128.1 | 0 | 0 | 114 | |||||
| 340 | V | 31 | Very low | 30.8 | Very low | 125 Ų | 125 | 125 Ų | 125 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | -156.9 | 132.6 | 56.1 | 162.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 341 | S | 29.7 | Very low | 30.9 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | trans | 35.6 | 128.4 | 139.6 | -55.6 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 342 | L | 29.5 | Very low | 30.9 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | 64.4 | 110.5 | 119.4 | -60.4 | 168.1 | 0 | 0 | 0 | 120.2 | |||||
| 343 | A | 31.8 | Very low | 31 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | 106.9 | 179 | 76.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 344 | P | 46 | Very low | 31.1 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | -137.7 | 169.1 | -72.1 | 42.4 | -27.8 | 0 | 0 | 0 | 116.9 | |||||
| 345 | I | 30.3 | Very low | 31.4 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 82% | 0.821 | 75% | 0.75 | S | S | * | * | trans | 69.6 | 141.5 | 144.1 | -71.7 | 160.6 | 0 | 0 | 0 | 122.1 | ||||
| 346 | A | 30.9 | Very low | 31.3 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 71.4 | 153.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 347 | S | 30.2 | Very low | 30.9 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | cis | -151.7 | 164.9 | 9.2 | 31.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 348 | G | 29.1 | Very low | 32.2 | Very low | 77 Ų | 77 | 128 Ų | 128 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -106.1 | 179.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 349 | S | 33.1 | Very low | 32.3 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -169.8 | 130.3 | 162.4 | 48.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 350 | N | 28.9 | Very low | 32.7 | Very low | 149 Ų | 149 | 129 Ų | 129 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | 24.8 | 139.7 | 129.6 | -46.2 | -18.9 | 0 | 0 | 0 | 118.3 | |||||
| 351 | T | 31.6 | Very low | 32.8 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | -163.7 | 172.8 | 57.4 | 35.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 352 | E | 30.7 | Very low | 32.8 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -53 | 179.1 | 170.4 | -57.8 | 143.2 | 105.4 | 0 | 0 | 115.6 | ||||
| 353 | F | 30.3 | Very low | 33.3 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | cis | -163.3 | 168.1 | 27.4 | -142.6 | -83.3 | 0 | 0 | 0 | 112.4 | ||||
| 354 | E | 29 | Very low | 33.6 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 82.6 | 104.1 | 149.9 | -121.2 | 156.2 | 136.1 | 0 | 0 | 125.4 | ||||
| 355 | T | 30 | Very low | 34.1 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 64% | 0.638 | 80% | 0.796 | S | S | * | * | 45.2 | 123 | 123.9 | -40.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 356 | H | 29.1 | Very low | 34.6 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | 175.2 | 154 | 116.9 | -95 | -70.3 | 0 | 0 | 0 | 112.5 | |||||
| 357 | A | 32.7 | Very low | 35.5 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -147.3 | 172.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 358 | P | 54.7 | Low | 37.1 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -117.2 | 171.1 | -14.8 | 39.5 | -27.6 | 0 | 0 | 0 | 111.9 | ||||
| 359 | D | 30.2 | Very low | 37.7 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -150.4 | 156.6 | 152 | -135.6 | -23.8 | 0 | 0 | 0 | 114.1 | ||||
| 360 | Q | 38.9 | Very low | 38.5 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | trans | -84.1 | 134.1 | -161.9 | -57 | 165.9 | 19.9 | 0 | 0 | 112.4 | ||||
| 361 | K | 31.5 | Very low | 39.5 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | trans | -150.2 | 126.4 | 155.5 | -111.5 | -175.3 | -176.9 | -174.3 | 0 | 113.7 | ||||
| 362 | L | 31.4 | Very low | 39.6 | Very low | 150 Ų | 150 | 137 Ų | 137 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 26.7 | 122.2 | 147.4 | -75.9 | 152 | 0 | 0 | 0 | 119.2 | E364 | L362-E364 PolarHBondContact O-N 3.41Š| ||
| 363 | L | 39.2 | Very low | 40 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 94% | 0.942 | 72% | 0.719 | S | S | * | * | trans | -62.2 | 107.6 | 160.5 | -65.8 | 159.8 | 0 | 0 | 0 | 109.7 | ||||
| 364 | E | 38.9 | Very low | 40.5 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -91.1 | 134.6 | 158.8 | -76.6 | -174.4 | 139.7 | 0 | 0 | 109.4 | L362 D366 | L362-E364 PolarHBondContact O-N 3.41Å; E364-D366 PolarHBondContact O-N 2.91Å | ||
| 365 | E | 55.4 | Low | 41.2 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -92.8 | 76.2 | -167.4 | -170 | -177.5 | 177.2 | 0 | 0 | 110.6 | G367 | E365-G367 PolarHBondContact O-N 3.46Š| ||
| 366 | D | 41.4 | Very low | 41.8 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -72.6 | 85.4 | 178.3 | -85.3 | -21.4 | 0 | 0 | 0 | 112 | E364 | E364-D366 PolarHBondContact O-N 2.91Š| ||
| 367 | G | 49.6 | Very low | 42.6 | Very low | 54 Ų | 54 | 131.9 Ų | 131.9 | 56% | 0.557 | 72% | 0.715 | S | S | * | * | trans | -82.5 | 110.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E365 I369 | E365-G367 PolarHBondContact O-N 3.46Å; G367-I369 PolarHBondContact O-N 3.26Å | ||
| 368 | T | 63 | Low | 43.3 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 45% | 0.454 | 71% | 0.714 | S | S | . | * | trans | -49.1 | 121.7 | -179.5 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 369 | I | 41.9 | Very low | 42.5 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 45% | 0.451 | 71% | 0.71 | S | S | . | * | trans | -85.7 | 122 | 179.8 | -56.8 | -172.4 | 0 | 0 | 0 | 109 | Y172 G367 T371 | Y172-I369 HydrophobicContact CE1-CB 4.09Å; Y172-I369 HydrophobicContact CE1-CG2 3.59Å; G367-I369 PolarHBondContact O-N 3.26Å; I369-T371 HydrophobicContact CG2-CG2 3.64Å; I369-T371 WeakPolarHBondContact CG2-OG1 3.3Å; I369-T371 PolarHBondContact O-N 3.2Å | ||
| 370 | I | 51 | Low | 43.4 | Very low | 25 Ų | 25 | 134.4 Ų | 134.4 | 13% | 0.128 | 70% | 0.7 | C | S | . | * | trans | -76 | 71.6 | 164.3 | -49.5 | -175.7 | 0 | 0 | 0 | 108.8 | T232 I236 | T232-I370 HydrophobicContact CG2-CD1 4Å; T232-I370 HydrophobicContact CG2-CG1 3.91Å; I236-I370 HydrophobicContact CD1-CG2 4.19Å; I236-I370 HydrophobicContact CG1-CG2 3.97Å | ||
| 371 | T | 48.1 | Very low | 43.8 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | trans | -99.9 | 152 | 163.7 | 24.2 | 0 | 0 | 0 | 0 | 109.5 | I369 | I369-T371 HydrophobicContact CG2-CG2 3.64Å; I369-T371 WeakPolarHBondContact CG2-OG1 3.3Å; I369-T371 PolarHBondContact O-N 3.2Å | ||
| 372 | L | 34 | Very low | 44.9 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 91% | 0.911 | 68% | 0.675 | S | S | * | * | trans | -75.1 | 0 | 172.3 | -65.8 | 167.2 | 0 | 0 | 0 | 111 | T165 E166 | T165-L372 WeakPolarHBondContact O-CD1 3.22Å; E166-L372 VanDerWaalsContact O-CD1 3.27Å; E166-L372 WeakPolarHBondContact O-CD1 3.18Å |
Retrieved 372 of 372 residues in 231.4 ms
(Link to these results)