| 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 | 72.7 | Confident | 78 | Confident | 123 Ų | 123 | 102.1 Ų | 102.1 | 61% | 0.606 | 50% | 0.502 | S | S | * | . | 0 | -60.6 | 0 | -175.2 | -173.8 | 66.9 | 0 | 0 | 111 | E3 K4 L5 I50 | M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 3.33Å; M1-K4 WeakPolarHBondContact O-CB 2.93Å; M1-K4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-I50 HydrophobicContact CE-CG2 3.43Å; M1-I50 VanDerWaalsContact CE-CG2 3.43Å; M1-I50 WeakPolarHBondContact CE-O 2.97Å | |||
| 2 | L | 75.5 | Confident | 77.9 | Confident | 59 Ų | 59 | 96.8 Ų | 96.8 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55.1 | -38.9 | 179.8 | -66.5 | 170.4 | 0 | 0 | 0 | 113.6 | K4 L5 S6 V33 F53 | L2-K4 VanDerWaalsContact C-N 3.27Å; L2-K4 PolarHBondContact O-N 3.03Å; L2-L5 PolarHBondContact O-N 3.1Å; L2-L5 VanDerWaalsContact O-N 3.07Å; L2-S6 PolarHBondContact O-N 2.91Å; L2-V33 HydrophobicContact CD1-CG2 3.89Å; L2-F53 HydrophobicContact CD2-CD1 3.75Å; L2-F53 HydrophobicContact CD2-CD2 4.2Å; L2-F53 HydrophobicContact CD2-CE1 3.85Å; L2-F53 HydrophobicContact CD2-CE2 4.31Å; L2-F53 HydrophobicContact CD2-CG 3.94Å; L2-F53 HydrophobicContact CD2-CZ 4.15Å |
| 3 | E | 77.8 | Confident | 77.8 | Confident | 152 Ų | 152 | 95.2 Ų | 95.2 | 71% | 0.71 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -30.6 | 174.1 | -69.6 | 176.9 | 167.6 | 0 | 0 | 114.2 | M1 S6 Q7 | M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 3.33Å; E3-S6 PolarHBondContact O-OG 3.41Å; E3-Q7 WeakPolarHBondContact O-CG 3.04Å |
| 4 | K | 81.8 | Confident | 78.1 | Confident | 152 Ų | 152 | 93.2 Ų | 93.2 | 66% | 0.661 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -74.1 | -35.8 | 174.5 | -66.9 | -172.4 | 178.1 | -176.9 | 0 | 110.7 | M1 L2 Q7 H8 | M1-K4 WeakPolarHBondContact O-CB 2.93Å; M1-K4 PolarHBondContact O-N 3.36Å; L2-K4 VanDerWaalsContact C-N 3.27Å; L2-K4 PolarHBondContact O-N 3.03Å; K4-Q7 PolarHBondContact O-N 3.05Å; K4-H8 PolarHBondContact O-N 2.93Å; K4-H8 PolarHBondContact O-ND1 2.91Å |
| 5 | L | 79.4 | Confident | 78.2 | Confident | 12 Ų | 12 | 95.7 Ų | 95.7 | 6% | 0.063 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -70.7 | -36.5 | 178.2 | -64.3 | 175.2 | 0 | 0 | 0 | 111.4 | M1 L2 Q7 H8 Y9 F14 F53 E54 | M1-L5 PolarHBondContact O-N 3.2Å; L2-L5 PolarHBondContact O-N 3.1Å; L2-L5 VanDerWaalsContact O-N 3.07Å; L5-Q7 PolarHBondContact O-N 2.93Å; L5-H8 PolarHBondContact O-N 3.34Å; L5-Y9 HydrophobicContact CB-CD2 4.24Å; L5-Y9 HydrophobicContact CD2-CD2 4.26Å; L5-Y9 HydrophobicContact CD2-CE2 3.83Å; L5-Y9 WeakPolarHBondContact O-CD2 3.23Å; L5-Y9 PolarHBondContact O-N 3.04Å; L5-F14 HydrophobicContact CB-CZ 4.32Å; L5-F53 HydrophobicContact CD1-CD1 3.49Å; L5-F53 VanDerWaalsContact CD1-CD1 3.49Å; L5-F53 HydrophobicContact CD1-CE1 4.01Å; L5-E54 HydrophobicContact CD1-CB 4.33Å; L5-E54 HydrophobicContact CD2-CB 4.17Å; L5-E54 HydrophobicContact CD2-CG 4.07Å |
| 6 | S | 80.5 | Confident | 78.4 | Confident | 47 Ų | 47 | 101.3 Ų | 101.3 | 33% | 0.329 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -24.5 | 175.6 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | L2 E3 F14 | L2-S6 PolarHBondContact O-N 2.91Å; E3-S6 PolarHBondContact O-OG 3.41Å; S6-F14 VanDerWaalsContact CA-CE2 3.48Å; S6-F14 VanDerWaalsContact CB-CD2 3.41Å |
| 7 | Q | 80.8 | Confident | 77.9 | Confident | 148 Ų | 148 | 100.4 Ų | 100.4 | 69% | 0.692 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.5 | -30.5 | 173.8 | -66.6 | 175.5 | -3.5 | 0 | 0 | 112.8 | E3 K4 L5 | E3-Q7 WeakPolarHBondContact O-CG 3.04Å; K4-Q7 PolarHBondContact O-N 3.05Å; L5-Q7 PolarHBondContact O-N 2.93Å |
| 8 | H | 80.1 | Confident | 77.5 | Confident | 143 Ų | 143 | 99.9 Ų | 99.9 | 66% | 0.662 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -86.8 | -37 | -179 | -72.8 | 90.4 | 0 | 0 | 0 | 112.8 | K4 L5 T10 | K4-H8 PolarHBondContact O-N 2.93Å; K4-H8 PolarHBondContact O-ND1 2.91Å; L5-H8 PolarHBondContact O-N 3.34Å; H8-T10 PolarHBondContact O-N 3.1Å |
| 9 | Y | 79.2 | Confident | 76.9 | Confident | 29 Ų | 29 | 96.9 Ų | 96.9 | 11% | 0.114 | 51% | 0.511 | C | S | . | . | trans | -101.8 | 67.5 | -176.2 | -65.5 | -83.2 | 0 | 0 | 0 | 110.8 | L5 Q11 V12 E54 L57 L61 | L5-Y9 HydrophobicContact CB-CD2 4.24Å; L5-Y9 HydrophobicContact CD2-CD2 4.26Å; L5-Y9 HydrophobicContact CD2-CE2 3.83Å; L5-Y9 WeakPolarHBondContact O-CD2 3.23Å; L5-Y9 PolarHBondContact O-N 3.04Å; Y9-Q11 PolarHBondContact O-N 2.89Å; Y9-Q11 VanDerWaalsContact O-N 3.17Å; Y9-V12 PolarHBondContact O-N 3.26Å; Y9-E54 HydrophobicContact CE2-CG 4.17Å; Y9-E54 WeakPolarHBondContact OH-CG 3.4Å; Y9-E54 PolarHBondContact OH-OE1 3.43Å; Y9-L57 HydrophobicContact CD1-CD2 3.82Å; Y9-L57 HydrophobicContact CD2-CD2 3.63Å; Y9-L57 HydrophobicContact CE1-CD2 4.2Å; Y9-L57 HydrophobicContact CE2-CD2 4.08Å; Y9-L57 HydrophobicContact CG-CD2 3.49Å; Y9-L57 VanDerWaalsContact CG-CD2 3.49Å; Y9-L61 HydrophobicContact CD1-CD1 3.47Å; Y9-L61 VanDerWaalsContact CD1-CD1 3.47Å; Y9-L61 HydrophobicContact CE1-CD1 3.71Å | ||
| 10 | T | 77.5 | Confident | 76.2 | Confident | 118 Ų | 118 | 100.1 Ų | 100.1 | 72% | 0.724 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.2 | -175.7 | 56.1 | 0 | 0 | 0 | 0 | 114 | H8 V12 | H8-T10 PolarHBondContact O-N 3.1Å; T10-V12 PolarHBondContact O-N 3.44Å |
| 11 | Q | 73.1 | Confident | 75 | Confident | 140 Ų | 140 | 103.6 Ų | 103.6 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.2 | 172.6 | 66.2 | -124.6 | 30 | 0 | 0 | 114.4 | Y9 L61 | Y9-Q11 PolarHBondContact O-N 2.89Å; Y9-Q11 VanDerWaalsContact O-N 3.17Å; Q11-L61 HydrophobicContact CG-CD2 3.78Å |
| 12 | V | 76 | Confident | 73.8 | Confident | 38 Ų | 38 | 101.7 Ų | 101.7 | 23% | 0.23 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -114.1 | 127.6 | -179.7 | -180 | 0 | 0 | 0 | 0 | 109.5 | Y9 T10 F14 L57 L61 | Y9-V12 PolarHBondContact O-N 3.26Å; T10-V12 PolarHBondContact O-N 3.44Å; V12-F14 HydrophobicContact CB-CD2 4.37Å; V12-F14 HydrophobicContact CB-CE2 3.76Å; V12-F14 HydrophobicContact CB-CZ 4.43Å; V12-F14 HydrophobicContact CG1-CD2 4.12Å; V12-F14 HydrophobicContact CG1-CE2 3.67Å; V12-F14 HydrophobicContact CG1-CZ 4.05Å; V12-F14 WeakPolarHBondContact O-CD2 3.43Å; V12-L57 HydrophobicContact CG1-CD1 4.06Å; V12-L57 HydrophobicContact CG2-CD1 4.11Å; V12-L57 HydrophobicContact CG2-CD2 4.38Å; V12-L57 HydrophobicContact CG2-CG 4.46Å; V12-L61 HydrophobicContact CG2-CD2 3.96Å |
| 13 | G | 77 | Confident | 72.4 | Confident | 76 Ų | 76 | 105 Ų | 105 | 78% | 0.784 | 56% | 0.558 | S | S | * | * | trans | -77.7 | 122.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 14 | F | 81.8 | Confident | 71.1 | Confident | 68 Ų | 68 | 100.7 Ų | 100.7 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | trans | -104.3 | 119.6 | 173.7 | -72 | -98.5 | 0 | 0 | 0 | 109.7 | L5 S6 V12 F53 L57 | L5-F14 HydrophobicContact CB-CZ 4.32Å; S6-F14 VanDerWaalsContact CA-CE2 3.48Å; S6-F14 VanDerWaalsContact CB-CD2 3.41Å; V12-F14 HydrophobicContact CB-CD2 4.37Å; V12-F14 HydrophobicContact CB-CE2 3.76Å; V12-F14 HydrophobicContact CB-CZ 4.43Å; V12-F14 HydrophobicContact CG1-CD2 4.12Å; V12-F14 HydrophobicContact CG1-CE2 3.67Å; V12-F14 HydrophobicContact CG1-CZ 4.05Å; V12-F14 WeakPolarHBondContact O-CD2 3.43Å; F14-F53 AromaticContact CE1-CE1 3.72Å; F14-F53 HydrophobicContact CE1-CE1 3.72Å; F14-F53 AromaticContact CE1-CZ 3.77Å; F14-F53 HydrophobicContact CE1-CZ 3.77Å; F14-F53 HydrophobicContact CZ-CE1 4.09Å; F14-F53 HydrophobicContact CZ-CZ 4.33Å; F14-L57 HydrophobicContact CZ-CD2 4.21Å | ||
| 15 | V | 79.3 | Confident | 69.6 | Low | 131 Ų | 131 | 98.4 Ų | 98.4 | 79% | 0.794 | 54% | 0.538 | S | S | * | . | trans | -116.2 | 125.3 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | V17 | V15-V17 HydrophobicContact CG1-CG2 4.17Š| ||
| 16 | K | 81.3 | Confident | 68.3 | Low | 185 Ų | 185 | 105.3 Ų | 105.3 | 80% | 0.804 | 58% | 0.575 | S | S | * | * | trans | -95 | 128.9 | 170.7 | -171.5 | -177.9 | 177 | -169 | 0 | 108.1 | ||||
| 17 | V | 70.3 | Confident | 67 | Low | 85 Ų | 85 | 110.3 Ų | 110.3 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | trans | -115 | 123.4 | 176.2 | -179 | 0 | 0 | 0 | 0 | 107.4 | V15 I22 | V15-V17 HydrophobicContact CG1-CG2 4.17Å; V17-I22 HydrophobicContact CG1-CD1 3.27Å; V17-I22 HydrophobicContact CG1-CG1 4.44Å | ||
| 18 | D | 71 | Confident | 65.8 | Low | 93 Ų | 93 | 106 Ų | 106 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | trans | -85.1 | 124.7 | 173.8 | -134 | -37.6 | 0 | 0 | 0 | 109.2 | ||||
| 19 | V | 65.7 | Low | 65 | Low | 43 Ų | 43 | 103.1 Ų | 103.1 | 26% | 0.261 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -91.9 | -10.6 | -164.4 | -125.7 | 0 | 0 | 0 | 0 | 112.7 | E21 I22 I24 T30 | V19-E21 PolarHBondContact O-N 3.4Å; V19-I22 PolarHBondContact O-N 2.88Å; V19-I24 HydrophobicContact CB-CD1 3.65Å; V19-I24 HydrophobicContact CB-CG1 4.26Å; V19-I24 HydrophobicContact CG1-CD1 3.18Å; V19-I24 HydrophobicContact CG1-CG1 3.44Å; V19-I24 VanDerWaalsContact CG1-CG1 3.44Å; V19-T30 HydrophobicContact CB-CG2 4.35Å; V19-T30 HydrophobicContact CG2-CG2 3.61Å |
| 20 | D | 64.1 | Low | 64.5 | Low | 160 Ų | 160 | 105.9 Ų | 105.9 | 86% | 0.856 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -61.4 | -19.5 | 167.6 | -67.7 | -16.4 | 0 | 0 | 0 | 112 | ||
| 21 | E | 50.2 | Low | 64.4 | Low | 173 Ų | 173 | 103.3 Ų | 103.3 | 81% | 0.808 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -97.4 | -2.8 | 179.9 | -60.8 | -170.8 | 170.5 | 0 | 0 | 114.1 | V19 | V19-E21 PolarHBondContact O-N 3.4Š|
| 22 | I | 47.9 | Very low | 64.7 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 43% | 0.426 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -128 | 124.5 | -175.2 | -53.9 | 179.6 | 0 | 0 | 0 | 109.5 | V17 V19 I24 | V17-I22 HydrophobicContact CG1-CD1 3.27Å; V17-I22 HydrophobicContact CG1-CG1 4.44Å; V19-I22 PolarHBondContact O-N 2.88Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 VanDerWaalsContact O-CG1 3.27Å; I22-I24 WeakPolarHBondContact O-CG1 3.37Å; I22-I24 PolarHBondContact O-N 3.4Å |
| 23 | P | 45.4 | Very low | 64.9 | Low | 129 Ų | 129 | 97.8 Ų | 97.8 | 84% | 0.838 | 55% | 0.547 | S | S | * | . | trans | -67.8 | 93.6 | 171.4 | 27.9 | -30.7 | 0 | 0 | 0 | 108.4 | ||||
| 24 | I | 50.6 | Low | 65 | Low | 62 Ų | 62 | 98.2 Ų | 98.2 | 32% | 0.318 | 53% | 0.53 | S | S | . | . | trans | -74.5 | 139 | 177.7 | -19.2 | 167.3 | 0 | 0 | 0 | 108.1 | V19 I22 D26 I28 | V19-I24 HydrophobicContact CB-CD1 3.65Å; V19-I24 HydrophobicContact CB-CG1 4.26Å; V19-I24 HydrophobicContact CG1-CD1 3.18Å; V19-I24 HydrophobicContact CG1-CG1 3.44Å; V19-I24 VanDerWaalsContact CG1-CG1 3.44Å; I22-I24 VanDerWaalsContact C-N 3.29Å; I22-I24 VanDerWaalsContact O-CG1 3.27Å; I22-I24 WeakPolarHBondContact O-CG1 3.37Å; I22-I24 PolarHBondContact O-N 3.4Å; I24-D26 PolarHBondContact O-N 3.19Å; I24-I28 HydrophobicContact CG2-CB 3.85Å; I24-I28 HydrophobicContact CG2-CD1 3.87Å; I24-I28 HydrophobicContact CG2-CG1 4.21Å; I24-I28 HydrophobicContact CG2-CG2 4.44Å | ||
| 25 | V | 49.9 | Very low | 64.9 | Low | 104 Ų | 104 | 95.8 Ų | 95.8 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | trans | -56.7 | 136.3 | 165.7 | -168.5 | 0 | 0 | 0 | 0 | 107.8 | H27 I28 | V25-H27 PolarHBondContact O-N 3.13Å; V25-I28 PolarHBondContact O-N 3.25Å | ||
| 26 | D | 52.7 | Low | 64.5 | Low | 157 Ų | 157 | 94.5 Ų | 94.5 | 84% | 0.84 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 11.7 | -171.6 | -68.6 | -39.5 | 0 | 0 | 0 | 117 | I24 | I24-D26 PolarHBondContact O-N 3.19Š|
| 27 | H | 53.1 | Low | 63.9 | Low | 151 Ų | 151 | 87.2 Ų | 87.2 | 70% | 0.699 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 1.6 | -168.6 | -53.1 | -35.3 | 0 | 0 | 0 | 114.1 | V25 | V25-H27 PolarHBondContact O-N 3.13Š|
| 28 | I | 55.9 | Low | 63.8 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 30% | 0.303 | 48% | 0.476 | S | S | . | . | trans | -104.9 | 110.2 | 177.5 | -58.5 | -179.6 | 0 | 0 | 0 | 109.1 | I24 V25 T32 M34 | I24-I28 HydrophobicContact CG2-CB 3.85Å; I24-I28 HydrophobicContact CG2-CD1 3.87Å; I24-I28 HydrophobicContact CG2-CG1 4.21Å; I24-I28 HydrophobicContact CG2-CG2 4.44Å; V25-I28 PolarHBondContact O-N 3.25Å; I28-T32 HydrophobicContact CG2-CG2 4.13Å; I28-T32 WeakPolarHBondContact CG2-OG1 3.49Å; I28-M34 HydrophobicContact CD1-CE 3.94Å | ||
| 29 | T | 62.5 | Low | 63.2 | Low | 82 Ų | 82 | 83.5 Ų | 83.5 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -82 | 130.8 | 173.7 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | P31 T32 | T29-P31 CarbonylContact O-C 3.6Å; T29-T32 PolarHBondContact O-OG1 2.73Å |
| 30 | T | 69.6 | Low | 62.7 | Low | 86 Ų | 86 | 82 Ų | 82 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -87.5 | 140.6 | 174.3 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | V19 | V19-T30 HydrophobicContact CB-CG2 4.35Å; V19-T30 HydrophobicContact CG2-CG2 3.61Å |
| 31 | P | 74.7 | Confident | 62.8 | Low | 65 Ų | 65 | 76.3 Ų | 76.3 | 42% | 0.422 | 42% | 0.424 | S | S | . | . | S | Bend | cis | -78.3 | 138.5 | -1.9 | 30.7 | -33.3 | 0 | 0 | 0 | 112.5 | T29 E47 I50 | T29-P31 CarbonylContact O-C 3.6Å; P31-E47 HydrophobicContact CG-CB 4.27Å; P31-E47 HydrophobicContact CG-CG 3.99Å; P31-E47 PolarHBondContact O-N 2.91Å; P31-I50 HydrophobicContact CB-CD1 3.91Å; P31-I50 HydrophobicContact CG-CD1 3.94Å; P31-I50 WeakPolarHBondContact O-CD1 3.48Å |
| 32 | T | 78.7 | Confident | 63.6 | Low | 35 Ų | 35 | 68.4 Ų | 68.4 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | trans | -121.3 | 140.5 | 168.1 | -75 | 0 | 0 | 0 | 0 | 108.7 | I28 T29 M34 L44 L45 | I28-T32 HydrophobicContact CG2-CG2 4.13Å; I28-T32 WeakPolarHBondContact CG2-OG1 3.49Å; T29-T32 PolarHBondContact O-OG1 2.73Å; T32-M34 HydrophobicContact CG2-CE 4.41Å; T32-M34 HydrophobicContact CG2-CG 4.32Å; T32-L44 HydrophobicContact CG2-CD1 4.23Å; T32-L44 HydrophobicContact CG2-CD2 4.05Å; T32-L44 HydrophobicContact CG2-CG 3.86Å; T32-L45 CarbonylContact C-O 3.58Å; T32-L45 VanDerWaalsContact CA-O 3.28Å; T32-L45 WeakPolarHBondContact CA-O 3.32Å | ||
| 33 | V | 80.7 | Confident | 64.9 | Low | 26 Ų | 26 | 66.1 Ų | 66.1 | 16% | 0.158 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.8 | 172.7 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | L2 L35 L45 I50 F53 | L2-V33 HydrophobicContact CD1-CG2 3.89Å; V33-L35 HydrophobicContact CG1-CD1 4.27Å; V33-L45 HydrophobicContact CB-CB 4.28Å; V33-L45 PolarHBondContact N-O 3.33Å; V33-L45 PolarHBondContact O-N 2.89Å; V33-I50 HydrophobicContact CB-CG1 4.47Å; V33-I50 HydrophobicContact CG2-CD1 3.73Å; V33-I50 HydrophobicContact CG2-CG1 3.89Å; V33-F53 HydrophobicContact CB-CD2 4.38Å; V33-F53 HydrophobicContact CB-CE2 4.31Å; V33-F53 HydrophobicContact CG1-CD2 3.95Å; V33-F53 HydrophobicContact CG1-CE2 3.41Å; V33-F53 VanDerWaalsContact CG1-CE2 3.41Å; V33-F53 HydrophobicContact CG1-CZ 4.33Å |
| 34 | M | 80.5 | Confident | 66.3 | Low | 86 Ų | 86 | 62.6 Ų | 62.6 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.6 | 175.1 | -58.8 | 178.2 | -176 | 0 | 0 | 109 | I28 T32 H36 M41 D43 L44 | I28-M34 HydrophobicContact CD1-CE 3.94Å; T32-M34 HydrophobicContact CG2-CE 4.41Å; T32-M34 HydrophobicContact CG2-CG 4.32Å; M34-H36 PolarHBondContact O-ND1 2.88Å; M34-M41 HydrophobicContact CB-CG 4.49Å; M34-M41 HydrophobicContact CB-SD 4.47Å; M34-M41 HydrophobicContact CG-SD 4.37Å; M34-M41 HydrophobicContact SD-SD 4.44Å; M34-D43 WeakPolarHBondContact CA-O 3.35Å; M34-L44 HydrophobicContact CE-CD1 4Å; M34-L44 HydrophobicContact CG-CD1 4.14Å; M34-L44 HydrophobicContact CG-CG 4.47Å |
| 35 | L | 78.7 | Confident | 67.6 | Low | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136.1 | 172 | -98.2 | 80.7 | 0 | 0 | 0 | 110 | V33 M41 V42 D43 L45 F53 I56 L57 W60 | V33-L35 HydrophobicContact CG1-CD1 4.27Å; L35-M41 CarbonylContact O-C 3.52Å; L35-M41 WeakPolarHBondContact O-CA 3.33Å; L35-V42 HydrophobicContact CB-CG2 3.74Å; L35-V42 PolarHBondContact O-N 2.91Å; L35-D43 HydrophobicContact CB-CB 3.94Å; L35-D43 PolarHBondContact N-O 3.07Å; L35-D43 PolarHBondContact O-N 2.94Å; L35-L45 HydrophobicContact CD1-CD1 3.71Å; L35-F53 HydrophobicContact CD1-CD2 4.05Å; L35-F53 HydrophobicContact CD1-CE2 3.34Å; L35-F53 HydrophobicContact CD1-CZ 4.12Å; L35-F53 HydrophobicContact CG-CE2 4.48Å; L35-I56 HydrophobicContact CD2-CG2 4.45Å; L35-L57 HydrophobicContact CD2-CD1 4.1Å; L35-W60 HydrophobicContact CD2-CB 4.18Å; L35-W60 HydrophobicContact CD2-CG 3.91Å |
| 36 | H | 70.9 | Confident | 68.9 | Low | 105 Ų | 105 | 59 Ų | 59 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141.7 | 174.8 | -63.9 | 77.4 | 0 | 0 | 0 | 110.5 | M34 V40 | M34-H36 PolarHBondContact O-ND1 2.88Å; H36-V40 CarbonylContact C-O 3.52Å; H36-V40 WeakPolarHBondContact CA-O 3.43Å |
| 37 | I | 69.4 | Low | 69.9 | Low | 31 Ų | 31 | 57.5 Ų | 57.5 | 16% | 0.159 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 111.6 | 165.4 | -64.2 | 170.2 | 0 | 0 | 0 | 106.4 | D39 V40 V42 W60 T64 M93 | I37-D39 PolarHBondContact O-N 3.47Å; I37-V40 PolarHBondContact N-O 2.87Å; I37-V40 PolarHBondContact O-N 3.31Å; I37-V42 HydrophobicContact CB-CG1 4.1Å; I37-V42 HydrophobicContact CD1-CG1 4.02Å; I37-V42 HydrophobicContact CD1-CG2 4.08Å; I37-V42 HydrophobicContact CG1-CG1 4.09Å; I37-V42 HydrophobicContact CG1-CG2 4.06Å; I37-W60 HydrophobicContact CD1-CB 4.44Å; I37-W60 HydrophobicContact CD1-CD2 4.3Å; I37-W60 HydrophobicContact CD1-CE3 3.64Å; I37-W60 HydrophobicContact CD1-CZ3 4.31Å; I37-T64 HydrophobicContact CD1-CG2 3.44Å; I37-T64 VanDerWaalsContact CD1-CG2 3.44Å; I37-T64 HydrophobicContact CG1-CG2 3.95Å; I37-T64 HydrophobicContact CG2-CG2 3.83Å; I37-M93 HydrophobicContact CB-SD 3.95Å; I37-M93 HydrophobicContact CG2-CB 4.44Å; I37-M93 HydrophobicContact CG2-CE 4.46Å; I37-M93 HydrophobicContact CG2-CG 4.39Å; I37-M93 HydrophobicContact CG2-SD 3.61Å |
| 38 | G | 68.3 | Low | 70.9 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | -120.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 39 | D | 57.1 | Low | 71.9 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 0 | -172.7 | -57.1 | -4 | 0 | 0 | 0 | 112.7 | I37 I98 | I37-D39 PolarHBondContact O-N 3.47Å; D39-I98 HydrophobicContact CB-CG1 4.24Å; D39-I98 WeakPolarHBondContact OD1-CD1 3.18Å; D39-I98 WeakPolarHBondContact OD1-CG1 3.42Å; D39-I98 WeakPolarHBondContact OD2-CG1 3.37Å |
| 40 | V | 54.6 | Low | 72.5 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.1 | -171.9 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | H36 I37 V42 V92 M93 I111 | H36-V40 CarbonylContact C-O 3.52Å; H36-V40 WeakPolarHBondContact CA-O 3.43Å; I37-V40 PolarHBondContact N-O 2.87Å; I37-V40 PolarHBondContact O-N 3.31Å; V40-V42 HydrophobicContact CG1-CG1 4.26Å; V40-V42 PolarHBondContact O-N 3.19Å; V40-V92 HydrophobicContact CG2-CG1 4.06Å; V40-M93 HydrophobicContact CB-CG 4.36Å; V40-M93 HydrophobicContact CG2-CG 4.05Å; V40-I111 HydrophobicContact CG1-CG2 4.49Å |
| 41 | M | 66.4 | Low | 73 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 20% | 0.202 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 119.4 | 166.6 | -172.8 | -172.6 | 75.5 | 0 | 0 | 108.5 | M34 L35 L44 Y112 | M34-M41 HydrophobicContact CB-CG 4.49Å; M34-M41 HydrophobicContact CB-SD 4.47Å; M34-M41 HydrophobicContact CG-SD 4.37Å; M34-M41 HydrophobicContact SD-SD 4.44Å; L35-M41 CarbonylContact O-C 3.52Å; L35-M41 WeakPolarHBondContact O-CA 3.33Å; M41-L44 HydrophobicContact CE-CB 4.41Å; M41-L44 HydrophobicContact SD-CB 4.3Å; M41-L44 HydrophobicContact SD-CD1 4.14Å; M41-Y112 HydrophobicContact CE-CD2 3.64Å; M41-Y112 HydrophobicContact CE-CE2 3.52Å; M41-Y112 HydrophobicContact CE-CG 4.23Å; M41-Y112 WeakPolarHBondContact O-CD2 3.39Å |
| 42 | V | 68.4 | Low | 73.3 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -21 | -176.5 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | L35 I37 V40 W60 F115 | L35-V42 HydrophobicContact CB-CG2 3.74Å; L35-V42 PolarHBondContact O-N 2.91Å; I37-V42 HydrophobicContact CB-CG1 4.1Å; I37-V42 HydrophobicContact CD1-CG1 4.02Å; I37-V42 HydrophobicContact CD1-CG2 4.08Å; I37-V42 HydrophobicContact CG1-CG1 4.09Å; I37-V42 HydrophobicContact CG1-CG2 4.06Å; V40-V42 HydrophobicContact CG1-CG1 4.26Å; V40-V42 PolarHBondContact O-N 3.19Å; V42-W60 HydrophobicContact CB-CD2 4.28Å; V42-W60 HydrophobicContact CB-CE3 4.3Å; V42-W60 HydrophobicContact CB-CH2 3.88Å; V42-W60 HydrophobicContact CB-CZ2 3.83Å; V42-W60 HydrophobicContact CB-CZ3 4.12Å; V42-W60 HydrophobicContact CG2-CD2 3.82Å; V42-W60 HydrophobicContact CG2-CE3 4.17Å; V42-W60 HydrophobicContact CG2-CG 4.23Å; V42-W60 HydrophobicContact CG2-CH2 4.46Å; V42-W60 HydrophobicContact CG2-CZ2 4.12Å; V42-W60 HydrophobicContact CG2-CZ3 4.49Å; V42-W60 VanDerWaalsContact O-CZ2 3.3Å; V42-W60 WeakPolarHBondContact O-CZ2 3.19Å; V42-F115 VanDerWaalsContact CA-CE1 3.47Å; V42-F115 HydrophobicContact CB-CE1 3.58Å; V42-F115 HydrophobicContact CB-CZ 3.55Å; V42-F115 HydrophobicContact CG1-CE1 3.76Å; V42-F115 HydrophobicContact CG1-CE2 4.21Å; V42-F115 HydrophobicContact CG1-CZ 3.35Å |
| 43 | D | 73.7 | Confident | 73.4 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 150.9 | 177.3 | -132.3 | -38.7 | 0 | 0 | 0 | 110.9 | M34 L35 I56 W60 | M34-D43 WeakPolarHBondContact CA-O 3.35Å; L35-D43 HydrophobicContact CB-CB 3.94Å; L35-D43 PolarHBondContact N-O 3.07Å; L35-D43 PolarHBondContact O-N 2.94Å; D43-I56 VanDerWaalsContact OD2-CG2 3.31Å; D43-I56 WeakPolarHBondContact OD2-CG2 3.35Å; D43-W60 PolarHBondContact OD2-NE1 3.49Å |
| 44 | L | 76.2 | Confident | 73.4 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 115.1 | 173.6 | -175.6 | 143.9 | 0 | 0 | 0 | 108.2 | T32 M34 M41 Q46 | T32-L44 HydrophobicContact CG2-CD1 4.23Å; T32-L44 HydrophobicContact CG2-CD2 4.05Å; T32-L44 HydrophobicContact CG2-CG 3.86Å; M34-L44 HydrophobicContact CE-CD1 4Å; M34-L44 HydrophobicContact CG-CD1 4.14Å; M34-L44 HydrophobicContact CG-CG 4.47Å; M41-L44 HydrophobicContact CE-CB 4.41Å; M41-L44 HydrophobicContact SD-CB 4.3Å; M41-L44 HydrophobicContact SD-CD1 4.14Å; L44-Q46 HydrophobicContact CD2-CG 4.19Å |
| 45 | L | 77.8 | Confident | 73.4 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119.5 | -170.6 | -60 | 165.4 | 0 | 0 | 0 | 108.7 | T32 V33 L35 D49 I50 F53 I56 | T32-L45 CarbonylContact C-O 3.58Å; T32-L45 VanDerWaalsContact CA-O 3.28Å; T32-L45 WeakPolarHBondContact CA-O 3.32Å; V33-L45 HydrophobicContact CB-CB 4.28Å; V33-L45 PolarHBondContact N-O 3.33Å; V33-L45 PolarHBondContact O-N 2.89Å; L35-L45 HydrophobicContact CD1-CD1 3.71Å; L45-D49 HydrophobicContact CB-CB 4.3Å; L45-D49 HydrophobicContact CD2-CB 3.79Å; L45-I50 HydrophobicContact CB-CG1 4.19Å; L45-F53 HydrophobicContact CD1-CD2 3.48Å; L45-F53 VanDerWaalsContact CD1-CD2 3.48Å; L45-F53 HydrophobicContact CD1-CE2 4.11Å; L45-F53 HydrophobicContact CD1-CG 4.46Å; L45-I56 HydrophobicContact CD1-CD1 4.32Å; L45-I56 HydrophobicContact CD1-CG2 4.22Å; L45-I56 HydrophobicContact CD2-CD1 3.27Å; L45-I56 HydrophobicContact CD2-CG2 4.38Å; L45-I56 HydrophobicContact CG-CD1 4.44Å |
| 46 | Q | 77.5 | Confident | 73.4 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | trans | -87.8 | 171.5 | 171.1 | -64.4 | -169.5 | -10.6 | 0 | 0 | 110.2 | L44 A48 D49 I50 | L44-Q46 HydrophobicContact CD2-CG 4.19Å; Q46-A48 PolarHBondContact O-N 2.99Å; Q46-D49 PolarHBondContact O-N 2.91Å; Q46-I50 WeakPolarHBondContact O-CG1 3.32Å; Q46-I50 PolarHBondContact O-N 2.94Å | ||
| 47 | E | 73.5 | Confident | 73.8 | Confident | 126 Ų | 126 | 52.6 Ų | 52.6 | 59% | 0.589 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -45.9 | -42.5 | -172.1 | -168.7 | 173.9 | -163.5 | 0 | 0 | 114.7 | P31 D49 I50 | P31-E47 HydrophobicContact CG-CB 4.27Å; P31-E47 HydrophobicContact CG-CG 3.99Å; P31-E47 PolarHBondContact O-N 2.91Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.45Å; E47-I50 PolarHBondContact O-N 3.29Å |
| 48 | A | 74.6 | Confident | 74.2 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66 | -34.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q46 | Q46-A48 PolarHBondContact O-N 2.99Å |
| 49 | D | 75.7 | Confident | 74.5 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -86.1 | -22.2 | -177.1 | -57.3 | -54.8 | 0 | 0 | 0 | 112.4 | L45 Q46 E47 I51 N52 F53 | L45-D49 HydrophobicContact CB-CB 4.3Å; L45-D49 HydrophobicContact CD2-CB 3.79Å; Q46-D49 PolarHBondContact O-N 2.91Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.45Å; D49-I51 PolarHBondContact O-N 3.24Å; D49-I51 VanDerWaalsContact O-N 3.17Å; D49-N52 CarbonylContact O-C 3.44Å; D49-N52 WeakPolarHBondContact O-CA 3.18Å; D49-N52 WeakPolarHBondContact O-CB 3.35Å; D49-N52 PolarHBondContact O-N 2.85Å; D49-F53 PolarHBondContact O-N 3.37Å |
| 50 | I | 76.2 | Confident | 75.3 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.9 | -30.8 | 177.8 | -71.5 | 172.4 | 0 | 0 | 0 | 111.1 | M1 P31 V33 L45 Q46 E47 N52 F53 | M1-I50 HydrophobicContact CE-CG2 3.43Å; M1-I50 VanDerWaalsContact CE-CG2 3.43Å; M1-I50 WeakPolarHBondContact CE-O 2.97Å; P31-I50 HydrophobicContact CB-CD1 3.91Å; P31-I50 HydrophobicContact CG-CD1 3.94Å; P31-I50 WeakPolarHBondContact O-CD1 3.48Å; V33-I50 HydrophobicContact CB-CG1 4.47Å; V33-I50 HydrophobicContact CG2-CD1 3.73Å; V33-I50 HydrophobicContact CG2-CG1 3.89Å; L45-I50 HydrophobicContact CB-CG1 4.19Å; Q46-I50 WeakPolarHBondContact O-CG1 3.32Å; Q46-I50 PolarHBondContact O-N 2.94Å; E47-I50 PolarHBondContact O-N 3.29Å; I50-N52 PolarHBondContact O-N 3.42Å; I50-F53 WeakPolarHBondContact O-CB 3.3Å; I50-F53 PolarHBondContact O-N 3.1Å |
| 51 | I | 79.2 | Confident | 76.1 | Confident | 133 Ų | 133 | 53.2 Ų | 53.2 | 68% | 0.682 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.8 | 174.1 | -66.1 | 161.1 | 0 | 0 | 0 | 111.5 | D49 | D49-I51 PolarHBondContact O-N 3.24Å; D49-I51 VanDerWaalsContact O-N 3.17Å |
| 52 | N | 80.5 | Confident | 76.2 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 10.2 | 177.6 | -63.3 | -51.4 | 0 | 0 | 0 | 113.2 | D49 I50 E54 K55 I56 | D49-N52 CarbonylContact O-C 3.44Å; D49-N52 WeakPolarHBondContact O-CA 3.18Å; D49-N52 WeakPolarHBondContact O-CB 3.35Å; D49-N52 PolarHBondContact O-N 2.85Å; I50-N52 PolarHBondContact O-N 3.42Å; N52-E54 PolarHBondContact O-N 3.44Å; N52-E54 VanDerWaalsContact O-N 3.16Å; N52-K55 PolarHBondContact O-N 3.18Å; N52-I56 HydrophobicContact CB-CD1 4.31Å; N52-I56 WeakPolarHBondContact O-CG1 3.22Å; N52-I56 PolarHBondContact O-N 2.8Å; N52-I56 VanDerWaalsContact O-N 3.11Å |
| 53 | F | 81.8 | Confident | 76.1 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.9 | -40 | -174.8 | 177.6 | -90.5 | 0 | 0 | 0 | 112.5 | L2 L5 F14 V33 L35 L45 D49 I50 K55 I56 L57 | L2-F53 HydrophobicContact CD2-CD1 3.75Å; L2-F53 HydrophobicContact CD2-CD2 4.2Å; L2-F53 HydrophobicContact CD2-CE1 3.85Å; L2-F53 HydrophobicContact CD2-CE2 4.31Å; L2-F53 HydrophobicContact CD2-CG 3.94Å; L2-F53 HydrophobicContact CD2-CZ 4.15Å; L5-F53 HydrophobicContact CD1-CD1 3.49Å; L5-F53 VanDerWaalsContact CD1-CD1 3.49Å; L5-F53 HydrophobicContact CD1-CE1 4.01Å; F14-F53 AromaticContact CE1-CE1 3.72Å; F14-F53 HydrophobicContact CE1-CE1 3.72Å; F14-F53 AromaticContact CE1-CZ 3.77Å; F14-F53 HydrophobicContact CE1-CZ 3.77Å; F14-F53 HydrophobicContact CZ-CE1 4.09Å; F14-F53 HydrophobicContact CZ-CZ 4.33Å; V33-F53 HydrophobicContact CB-CD2 4.38Å; V33-F53 HydrophobicContact CB-CE2 4.31Å; V33-F53 HydrophobicContact CG1-CD2 3.95Å; V33-F53 HydrophobicContact CG1-CE2 3.41Å; V33-F53 VanDerWaalsContact CG1-CE2 3.41Å; V33-F53 HydrophobicContact CG1-CZ 4.33Å; L35-F53 HydrophobicContact CD1-CD2 4.05Å; L35-F53 HydrophobicContact CD1-CE2 3.34Å; L35-F53 HydrophobicContact CD1-CZ 4.12Å; L35-F53 HydrophobicContact CG-CE2 4.48Å; L45-F53 HydrophobicContact CD1-CD2 3.48Å; L45-F53 VanDerWaalsContact CD1-CD2 3.48Å; L45-F53 HydrophobicContact CD1-CE2 4.11Å; L45-F53 HydrophobicContact CD1-CG 4.46Å; D49-F53 PolarHBondContact O-N 3.37Å; I50-F53 WeakPolarHBondContact O-CB 3.3Å; I50-F53 PolarHBondContact O-N 3.1Å; F53-K55 PolarHBondContact O-N 3.18Å; F53-I56 PolarHBondContact O-N 3.39Å; F53-L57 HydrophobicContact CE1-CB 4.25Å; F53-L57 HydrophobicContact CE1-CD1 4.28Å; F53-L57 HydrophobicContact CE1-CD2 4.03Å; F53-L57 HydrophobicContact CE1-CG 4.43Å; F53-L57 HydrophobicContact CZ-CD1 4.07Å; F53-L57 VanDerWaalsContact O-CB 3.31Å; F53-L57 WeakPolarHBondContact O-CB 3.41Å; F53-L57 PolarHBondContact O-N 3.33Å |
| 54 | E | 81.2 | Confident | 75.7 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 179.6 | -175.5 | 166.2 | -156.9 | 0 | 0 | 112.6 | L5 Y9 N52 I56 L57 F58 | L5-E54 HydrophobicContact CD1-CB 4.33Å; L5-E54 HydrophobicContact CD2-CB 4.17Å; L5-E54 HydrophobicContact CD2-CG 4.07Å; Y9-E54 HydrophobicContact CE2-CG 4.17Å; Y9-E54 WeakPolarHBondContact OH-CG 3.4Å; Y9-E54 PolarHBondContact OH-OE1 3.43Å; N52-E54 PolarHBondContact O-N 3.44Å; N52-E54 VanDerWaalsContact O-N 3.16Å; E54-I56 VanDerWaalsContact C-N 3.28Å; E54-I56 PolarHBondContact O-N 3.48Å; E54-L57 PolarHBondContact O-N 2.79Å; E54-F58 WeakPolarHBondContact O-CB 3.37Å; E54-F58 PolarHBondContact O-N 3.13Å |
| 55 | K | 79.7 | Confident | 75.2 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 175.8 | -62.6 | -167.7 | -177.4 | -156.1 | 0 | 111.2 | N52 F53 K59 E137 | N52-K55 PolarHBondContact O-N 3.18Å; F53-K55 PolarHBondContact O-N 3.18Å; K55-K59 WeakPolarHBondContact O-CB 3.27Å; K55-K59 PolarHBondContact O-N 2.97Å; K55-E137 WeakPolarHBondContact CE-OE1 3.15Å; K55-E137 IonicContact NZ-OE1 3.23Å; K55-E137 PolarHBondContact NZ-OE1 3.17Å; K55-E137 IonicContact NZ-OE2 3.66Å; K55-E137 PolarHBondContact NZ-OE2 3.17Å |
| 56 | I | 79.1 | Confident | 74.4 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71 | -42.5 | 179.6 | -64.8 | 170.1 | 0 | 0 | 0 | 110.5 | L35 D43 L45 N52 F53 E54 F58 K59 W60 | L35-I56 HydrophobicContact CD2-CG2 4.45Å; D43-I56 VanDerWaalsContact OD2-CG2 3.31Å; D43-I56 WeakPolarHBondContact OD2-CG2 3.35Å; L45-I56 HydrophobicContact CD1-CD1 4.32Å; L45-I56 HydrophobicContact CD1-CG2 4.22Å; L45-I56 HydrophobicContact CD2-CD1 3.27Å; L45-I56 HydrophobicContact CD2-CG2 4.38Å; L45-I56 HydrophobicContact CG-CD1 4.44Å; N52-I56 HydrophobicContact CB-CD1 4.31Å; N52-I56 WeakPolarHBondContact O-CG1 3.22Å; N52-I56 PolarHBondContact O-N 2.8Å; N52-I56 VanDerWaalsContact O-N 3.11Å; F53-I56 PolarHBondContact O-N 3.39Å; E54-I56 VanDerWaalsContact C-N 3.28Å; E54-I56 PolarHBondContact O-N 3.48Å; I56-F58 VanDerWaalsContact C-N 3.33Å; I56-F58 PolarHBondContact O-N 2.8Å; I56-K59 WeakPolarHBondContact O-CB 3.27Å; I56-K59 PolarHBondContact O-N 3.35Å; I56-W60 PolarHBondContact O-N 2.99Å |
| 57 | L | 78.4 | Confident | 73.6 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 174.9 | -168.4 | 72.7 | 0 | 0 | 0 | 111.2 | Y9 V12 F14 L35 F53 E54 K59 W60 L61 | Y9-L57 HydrophobicContact CD1-CD2 3.82Å; Y9-L57 HydrophobicContact CD2-CD2 3.63Å; Y9-L57 HydrophobicContact CE1-CD2 4.2Å; Y9-L57 HydrophobicContact CE2-CD2 4.08Å; Y9-L57 HydrophobicContact CG-CD2 3.49Å; Y9-L57 VanDerWaalsContact CG-CD2 3.49Å; V12-L57 HydrophobicContact CG1-CD1 4.06Å; V12-L57 HydrophobicContact CG2-CD1 4.11Å; V12-L57 HydrophobicContact CG2-CD2 4.38Å; V12-L57 HydrophobicContact CG2-CG 4.46Å; F14-L57 HydrophobicContact CZ-CD2 4.21Å; L35-L57 HydrophobicContact CD2-CD1 4.1Å; F53-L57 HydrophobicContact CE1-CB 4.25Å; F53-L57 HydrophobicContact CE1-CD1 4.28Å; F53-L57 HydrophobicContact CE1-CD2 4.03Å; F53-L57 HydrophobicContact CE1-CG 4.43Å; F53-L57 HydrophobicContact CZ-CD1 4.07Å; F53-L57 VanDerWaalsContact O-CB 3.31Å; F53-L57 WeakPolarHBondContact O-CB 3.41Å; F53-L57 PolarHBondContact O-N 3.33Å; E54-L57 PolarHBondContact O-N 2.79Å; L57-K59 PolarHBondContact O-N 2.99Å; L57-W60 PolarHBondContact O-N 3.24Å; L57-L61 HydrophobicContact CG-CD1 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.07Å |
| 58 | F | 77.9 | Confident | 72.8 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 178.1 | -172.6 | -108.6 | 0 | 0 | 0 | 112.5 | E54 I56 W60 L61 R62 | E54-F58 WeakPolarHBondContact O-CB 3.37Å; E54-F58 PolarHBondContact O-N 3.13Å; I56-F58 VanDerWaalsContact C-N 3.33Å; I56-F58 PolarHBondContact O-N 2.8Å; F58-W60 VanDerWaalsContact C-N 3.32Å; F58-W60 PolarHBondContact O-N 3.36Å; F58-L61 PolarHBondContact O-N 2.84Å; F58-R62 HydrophobicContact CE1-CG 4.47Å; F58-R62 VanDerWaalsContact CE1-NH2 3.33Å; F58-R62 PolarHBondContact O-N 3.12Å |
| 59 | K | 75.2 | Confident | 71.9 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 22% | 0.217 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.5 | -48.4 | 171.3 | 173.3 | -165.3 | 177 | -169.3 | 0 | 110.9 | K55 I56 L57 R62 V63 F123 | K55-K59 WeakPolarHBondContact O-CB 3.27Å; K55-K59 PolarHBondContact O-N 2.97Å; I56-K59 WeakPolarHBondContact O-CB 3.27Å; I56-K59 PolarHBondContact O-N 3.35Å; L57-K59 PolarHBondContact O-N 2.99Å; K59-R62 PolarHBondContact O-N 2.94Å; K59-V63 WeakPolarHBondContact O-CG2 3.47Å; K59-V63 PolarHBondContact O-N 3.39Å; K59-F123 HydrophobicContact CD-CZ 4.43Å |
| 60 | W | 74.7 | Confident | 70.7 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.6 | -38.4 | -178.9 | -75.2 | 115.4 | 0 | 0 | 0 | 113.2 | L35 I37 V42 D43 I56 L57 F58 R62 V63 T64 F115 L119 | L35-W60 HydrophobicContact CD2-CB 4.18Å; L35-W60 HydrophobicContact CD2-CG 3.91Å; I37-W60 HydrophobicContact CD1-CB 4.44Å; I37-W60 HydrophobicContact CD1-CD2 4.3Å; I37-W60 HydrophobicContact CD1-CE3 3.64Å; I37-W60 HydrophobicContact CD1-CZ3 4.31Å; V42-W60 HydrophobicContact CB-CD2 4.28Å; V42-W60 HydrophobicContact CB-CE3 4.3Å; V42-W60 HydrophobicContact CB-CH2 3.88Å; V42-W60 HydrophobicContact CB-CZ2 3.83Å; V42-W60 HydrophobicContact CB-CZ3 4.12Å; V42-W60 HydrophobicContact CG2-CD2 3.82Å; V42-W60 HydrophobicContact CG2-CE3 4.17Å; V42-W60 HydrophobicContact CG2-CG 4.23Å; V42-W60 HydrophobicContact CG2-CH2 4.46Å; V42-W60 HydrophobicContact CG2-CZ2 4.12Å; V42-W60 HydrophobicContact CG2-CZ3 4.49Å; V42-W60 VanDerWaalsContact O-CZ2 3.3Å; V42-W60 WeakPolarHBondContact O-CZ2 3.19Å; D43-W60 PolarHBondContact OD2-NE1 3.49Å; I56-W60 PolarHBondContact O-N 2.99Å; L57-W60 PolarHBondContact O-N 3.24Å; F58-W60 VanDerWaalsContact C-N 3.32Å; F58-W60 PolarHBondContact O-N 3.36Å; W60-R62 VanDerWaalsContact C-N 3.29Å; W60-R62 PolarHBondContact O-N 3.42Å; W60-V63 HydrophobicContact CE3-CB 4.2Å; W60-V63 HydrophobicContact CE3-CG1 4.38Å; W60-V63 HydrophobicContact CE3-CG2 4.32Å; W60-V63 HydrophobicContact CZ3-CG1 4.3Å; W60-V63 HydrophobicContact CZ3-CG2 4.48Å; W60-V63 PolarHBondContact O-N 3.22Å; W60-V63 VanDerWaalsContact O-N 3.13Å; W60-T64 PolarHBondContact O-N 2.97Å; W60-T64 PolarHBondContact O-OG1 3.41Å; W60-F115 AromaticContact CH2-CE1 3.63Å; W60-F115 HydrophobicContact CH2-CE1 3.63Å; W60-F115 HydrophobicContact CH2-CE2 4.35Å; W60-F115 AromaticContact CH2-CZ 3.29Å; W60-F115 HydrophobicContact CH2-CZ 3.29Å; W60-F115 HydrophobicContact CZ2-CE1 4.23Å; W60-F115 HydrophobicContact CZ2-CZ 4.25Å; W60-F115 HydrophobicContact CZ3-CE1 4.39Å; W60-F115 HydrophobicContact CZ3-CE2 4.44Å; W60-F115 AromaticContact CZ3-CZ 3.61Å; W60-F115 HydrophobicContact CZ3-CZ 3.61Å; W60-L119 HydrophobicContact CH2-CD1 3.56Å; W60-L119 HydrophobicContact CH2-CD2 3.89Å; W60-L119 HydrophobicContact CH2-CG 4.38Å; W60-L119 HydrophobicContact CZ2-CD1 4.23Å; W60-L119 HydrophobicContact CZ3-CD2 4.33Å |
| 61 | L | 71.5 | Confident | 69.5 | Low | 31 Ų | 31 | 64 Ų | 64 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -42.5 | 173.3 | -75.7 | 170.1 | 0 | 0 | 0 | 111.7 | Y9 Q11 V12 L57 F58 V63 T64 D65 | Y9-L61 HydrophobicContact CD1-CD1 3.47Å; Y9-L61 VanDerWaalsContact CD1-CD1 3.47Å; Y9-L61 HydrophobicContact CE1-CD1 3.71Å; Q11-L61 HydrophobicContact CG-CD2 3.78Å; V12-L61 HydrophobicContact CG2-CD2 3.96Å; L57-L61 HydrophobicContact CG-CD1 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.07Å; F58-L61 PolarHBondContact O-N 2.84Å; L61-V63 PolarHBondContact O-N 3.37Å; L61-T64 WeakPolarHBondContact CA-OG1 3.36Å; L61-T64 PolarHBondContact O-N 3.35Å; L61-T64 PolarHBondContact O-OG1 2.78Å; L61-D65 WeakPolarHBondContact O-CB 3.3Å; L61-D65 PolarHBondContact O-N 3.39Å |
| 62 | R | 68.3 | Low | 67.9 | Low | 30 Ų | 30 | 59.8 Ų | 59.8 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.1 | -76.2 | -174 | 170 | -178.8 | -0.2 | 113 | F58 K59 W60 T64 D65 Y68 D136 | F58-R62 HydrophobicContact CE1-CG 4.47Å; F58-R62 VanDerWaalsContact CE1-NH2 3.33Å; F58-R62 PolarHBondContact O-N 3.12Å; K59-R62 PolarHBondContact O-N 2.94Å; W60-R62 VanDerWaalsContact C-N 3.29Å; W60-R62 PolarHBondContact O-N 3.42Å; R62-T64 VanDerWaalsContact C-N 3.31Å; R62-D65 PolarHBondContact O-N 2.83Å; R62-Y68 HydrophobicContact CB-CD1 4.35Å; R62-Y68 HydrophobicContact CB-CG 4.21Å; R62-Y68 HydrophobicContact CG-CD1 4.22Å; R62-Y68 HydrophobicContact CG-CD2 4.16Å; R62-Y68 HydrophobicContact CG-CE1 4.32Å; R62-Y68 HydrophobicContact CG-CE2 4.25Å; R62-Y68 HydrophobicContact CG-CG 4.15Å; R62-Y68 VanDerWaalsContact CZ-OH 3.26Å; R62-Y68 PolarHBondContact NE-OH 2.8Å; R62-Y68 PolarHBondContact NH2-OH 3.34Å; R62-Y68 VanDerWaalsContact NH2-OH 3.1Å; R62-Y68 VanDerWaalsContact O-CB 3.24Å; R62-Y68 WeakPolarHBondContact O-CB 3.2Å; R62-D136 IonicContact CZ-OD2 3.83Å; R62-D136 IonicContact NH2-OD2 2.74Å; R62-D136 PolarHBondContact NH2-OD2 2.92Å |
| 63 | V | 66.4 | Low | 66.1 | Low | 29 Ų | 29 | 56.8 Ų | 56.8 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.4 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | K59 W60 L61 | K59-V63 WeakPolarHBondContact O-CG2 3.47Å; K59-V63 PolarHBondContact O-N 3.39Å; W60-V63 HydrophobicContact CE3-CB 4.2Å; W60-V63 HydrophobicContact CE3-CG1 4.38Å; W60-V63 HydrophobicContact CE3-CG2 4.32Å; W60-V63 HydrophobicContact CZ3-CG1 4.3Å; W60-V63 HydrophobicContact CZ3-CG2 4.48Å; W60-V63 PolarHBondContact O-N 3.22Å; W60-V63 VanDerWaalsContact O-N 3.13Å; L61-V63 PolarHBondContact O-N 3.37Å |
| 64 | T | 64.5 | Low | 64.5 | Low | 45 Ų | 45 | 60.6 Ų | 60.6 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -75.6 | -21.8 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | I37 W60 L61 R62 P66 R69 | I37-T64 HydrophobicContact CD1-CG2 3.44Å; I37-T64 VanDerWaalsContact CD1-CG2 3.44Å; I37-T64 HydrophobicContact CG1-CG2 3.95Å; I37-T64 HydrophobicContact CG2-CG2 3.83Å; W60-T64 PolarHBondContact O-N 2.97Å; W60-T64 PolarHBondContact O-OG1 3.41Å; L61-T64 WeakPolarHBondContact CA-OG1 3.36Å; L61-T64 PolarHBondContact O-N 3.35Å; L61-T64 PolarHBondContact O-OG1 2.78Å; R62-T64 VanDerWaalsContact C-N 3.31Å; T64-P66 WeakPolarHBondContact O-CD 3.43Å; T64-R69 PolarHBondContact O-NE 3.24Å; T64-R69 PolarHBondContact O-NH2 2.9Å |
| 65 | D | 65.3 | Low | 62.7 | Low | 65 Ų | 65 | 64 Ų | 64 | 35% | 0.348 | 32% | 0.323 | S | S | . | . | trans | -74 | 115.3 | -177.8 | -176.8 | -14.3 | 0 | 0 | 0 | 111.5 | L61 R62 A67 Y68 R69 | L61-D65 WeakPolarHBondContact O-CB 3.3Å; L61-D65 PolarHBondContact O-N 3.39Å; R62-D65 PolarHBondContact O-N 2.83Å; D65-A67 PolarHBondContact O-N 2.97Å; D65-A67 VanDerWaalsContact O-N 3.12Å; D65-A67 WeakPolarHBondContact OD1-CB 3.48Å; D65-A67 PolarHBondContact OD1-N 3.42Å; D65-Y68 PolarHBondContact O-N 3.19Å; D65-Y68 VanDerWaalsContact O-N 3.13Å; D65-R69 WeakPolarHBondContact O-CG 3.03Å; D65-R69 PolarHBondContact O-N 2.92Å | ||
| 66 | P | 61.2 | Low | 61 | Low | 79 Ų | 79 | 60.5 Ų | 60.5 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -52 | -32.5 | 177.1 | -20.8 | 29.5 | 0 | 0 | 0 | 114.6 | T64 R69 | T64-P66 WeakPolarHBondContact O-CD 3.43Å; P66-R69 WeakPolarHBondContact O-CB 3.32Å |
| 67 | A | 61.4 | Low | 59.2 | Low | 65 Ų | 65 | 62.7 Ų | 62.7 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.4 | -41.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D65 R69 H70 | D65-A67 PolarHBondContact O-N 2.97Å; D65-A67 VanDerWaalsContact O-N 3.12Å; D65-A67 WeakPolarHBondContact OD1-CB 3.48Å; D65-A67 PolarHBondContact OD1-N 3.42Å; A67-R69 VanDerWaalsContact C-N 3.34Å; A67-H70 PolarHBondContact O-N 2.92Å |
| 68 | Y | 57 | Low | 57.7 | Low | 75 Ų | 75 | 71.5 Ų | 71.5 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.2 | -26.6 | 175.5 | -99.7 | -86.6 | 0 | 0 | 0 | 112.9 | R62 D65 H70 H71 Y72 | R62-Y68 HydrophobicContact CB-CD1 4.35Å; R62-Y68 HydrophobicContact CB-CG 4.21Å; R62-Y68 HydrophobicContact CG-CD1 4.22Å; R62-Y68 HydrophobicContact CG-CD2 4.16Å; R62-Y68 HydrophobicContact CG-CE1 4.32Å; R62-Y68 HydrophobicContact CG-CE2 4.25Å; R62-Y68 HydrophobicContact CG-CG 4.15Å; R62-Y68 VanDerWaalsContact CZ-OH 3.26Å; R62-Y68 PolarHBondContact NE-OH 2.8Å; R62-Y68 PolarHBondContact NH2-OH 3.34Å; R62-Y68 VanDerWaalsContact NH2-OH 3.1Å; R62-Y68 VanDerWaalsContact O-CB 3.24Å; R62-Y68 WeakPolarHBondContact O-CB 3.2Å; D65-Y68 PolarHBondContact O-N 3.19Å; D65-Y68 VanDerWaalsContact O-N 3.13Å; Y68-H70 PolarHBondContact O-N 3.07Å; Y68-H71 WeakPolarHBondContact O-CB 3.48Å; Y68-H71 PolarHBondContact O-N 3.43Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.33Å; Y68-Y72 PolarHBondContact O-N 2.7Å |
| 69 | R | 54.1 | Low | 56.3 | Low | 74 Ų | 74 | 71.8 Ų | 71.8 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.7 | -33.5 | 173.2 | -68.5 | 177.8 | -137 | 171.2 | 3.5 | 112.2 | T64 D65 P66 A67 H71 Y72 T73 | T64-R69 PolarHBondContact O-NE 3.24Å; T64-R69 PolarHBondContact O-NH2 2.9Å; D65-R69 WeakPolarHBondContact O-CG 3.03Å; D65-R69 PolarHBondContact O-N 2.92Å; P66-R69 WeakPolarHBondContact O-CB 3.32Å; A67-R69 VanDerWaalsContact C-N 3.34Å; R69-H71 VanDerWaalsContact C-N 3.29Å; R69-H71 PolarHBondContact O-N 3.01Å; R69-Y72 PolarHBondContact O-N 2.68Å; R69-T73 WeakPolarHBondContact O-CB 3.36Å; R69-T73 WeakPolarHBondContact O-CG2 3.48Å; R69-T73 PolarHBondContact O-N 3.12Å; R69-T73 PolarHBondContact O-OG1 2.94Å |
| 70 | H | 51.7 | Low | 55.3 | Low | 138 Ų | 138 | 78.3 Ų | 78.3 | 64% | 0.639 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.8 | -32.2 | 175 | -84.2 | -54.8 | 0 | 0 | 0 | 113.1 | A67 Y68 T73 S74 | A67-H70 PolarHBondContact O-N 2.92Å; Y68-H70 PolarHBondContact O-N 3.07Å; H70-T73 WeakPolarHBondContact CA-OG1 3.16Å; H70-T73 PolarHBondContact O-OG1 3.02Å; H70-S74 VanDerWaalsContact O-CB 3.29Å; H70-S74 WeakPolarHBondContact O-CB 2.87Å; H70-S74 PolarHBondContact O-N 3.47Å |
| 71 | H | 50.2 | Low | 54.2 | Low | 144 Ų | 144 | 81.6 Ų | 81.6 | 67% | 0.667 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70.5 | -42.3 | 175.6 | -95.8 | -46.8 | 0 | 0 | 0 | 112.8 | Y68 R69 | Y68-H71 WeakPolarHBondContact O-CB 3.48Å; Y68-H71 PolarHBondContact O-N 3.43Å; R69-H71 VanDerWaalsContact C-N 3.29Å; R69-H71 PolarHBondContact O-N 3.01Å |
| 72 | Y | 45.2 | Very low | 53.1 | Low | 46 Ų | 46 | 80.3 Ų | 80.3 | 18% | 0.18 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 174.3 | -72 | -75.4 | 0 | 0 | 0 | 111.5 | Y68 R69 L76 I128 | Y68-Y72 WeakPolarHBondContact O-CD2 3.33Å; Y68-Y72 PolarHBondContact O-N 2.7Å; R69-Y72 PolarHBondContact O-N 2.68Å; Y72-L76 VanDerWaalsContact O-CB 3.31Å; Y72-L76 WeakPolarHBondContact O-CB 3.37Å; Y72-L76 WeakPolarHBondContact O-CD1 3.33Å; Y72-L76 PolarHBondContact O-N 2.87Å; Y72-I128 HydrophobicContact CD1-CD1 4.4Å; Y72-I128 HydrophobicContact CE1-CD1 3.62Å; Y72-I128 HydrophobicContact CE1-CG1 4.1Å |
| 73 | T | 44.4 | Very low | 52.3 | Low | 14 Ų | 14 | 84.4 Ų | 84.4 | 9% | 0.086 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.4 | -34.7 | -176.9 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | R69 H70 E75 L76 L77 L86 | R69-T73 WeakPolarHBondContact O-CB 3.36Å; R69-T73 WeakPolarHBondContact O-CG2 3.48Å; R69-T73 PolarHBondContact O-N 3.12Å; R69-T73 PolarHBondContact O-OG1 2.94Å; H70-T73 WeakPolarHBondContact CA-OG1 3.16Å; H70-T73 PolarHBondContact O-OG1 3.02Å; T73-E75 PolarHBondContact O-N 3.19Å; T73-L76 PolarHBondContact O-N 3.48Å; T73-L77 WeakPolarHBondContact O-CA 3.5Å; T73-L77 WeakPolarHBondContact O-CB 3.35Å; T73-L77 WeakPolarHBondContact O-CD1 3.47Å; T73-L77 WeakPolarHBondContact O-CG 3.39Å; T73-L77 PolarHBondContact O-N 2.81Å; T73-L86 HydrophobicContact CG2-CD2 4.13Å |
| 74 | S | 46.4 | Very low | 51.9 | Low | 85 Ų | 85 | 85.9 Ų | 85.9 | 59% | 0.594 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -46.6 | -41.1 | -178 | 177.5 | 0 | 0 | 0 | 0 | 114.6 | H70 | H70-S74 VanDerWaalsContact O-CB 3.29Å; H70-S74 WeakPolarHBondContact O-CB 2.87Å; H70-S74 PolarHBondContact O-N 3.47Å |
| 75 | E | 45.2 | Very low | 51.4 | Low | 165 Ų | 165 | 89.1 Ų | 89.1 | 77% | 0.771 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -101 | -32.2 | 176.9 | -71.6 | -173.2 | 162.4 | 0 | 0 | 113.6 | T73 L77 M78 | T73-E75 PolarHBondContact O-N 3.19Å; E75-L77 PolarHBondContact O-N 2.89Å; E75-M78 PolarHBondContact O-N 3.39Å |
| 76 | L | 42.7 | Very low | 50.9 | Low | 26 Ų | 26 | 87.5 Ų | 87.5 | 14% | 0.136 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.4 | -19.7 | 172.1 | -91.1 | 136.4 | 0 | 0 | 0 | 113.4 | Y72 T73 M78 D79 A82 I122 C126 | Y72-L76 VanDerWaalsContact O-CB 3.31Å; Y72-L76 WeakPolarHBondContact O-CB 3.37Å; Y72-L76 WeakPolarHBondContact O-CD1 3.33Å; Y72-L76 PolarHBondContact O-N 2.87Å; T73-L76 PolarHBondContact O-N 3.48Å; L76-M78 PolarHBondContact O-N 3.42Å; L76-M78 VanDerWaalsContact O-N 3.1Å; L76-D79 PolarHBondContact O-N 2.66Å; L76-A82 HydrophobicContact CD2-CB 3.39Å; L76-I122 HydrophobicContact CD1-CG2 4.44Å; L76-I122 HydrophobicContact CD2-CG1 4.29Å; L76-C126 WeakPolarHBondContact CD1-SG 3.24Å; L76-C126 WeakPolarHBondContact CG-SG 3.06Å |
| 77 | L | 42 | Very low | 50.9 | Low | 75 Ų | 75 | 87.9 Ų | 87.9 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7.2 | -179.3 | -84.2 | 165.6 | 0 | 0 | 0 | 114.4 | T73 E75 D79 | T73-L77 WeakPolarHBondContact O-CA 3.5Å; T73-L77 WeakPolarHBondContact O-CB 3.35Å; T73-L77 WeakPolarHBondContact O-CD1 3.47Å; T73-L77 WeakPolarHBondContact O-CG 3.39Å; T73-L77 PolarHBondContact O-N 2.81Å; E75-L77 PolarHBondContact O-N 2.89Å; L77-D79 VanDerWaalsContact C-N 3.27Å |
| 78 | M | 46.2 | Very low | 50.7 | Low | 190 Ų | 190 | 91.7 Ų | 91.7 | 94% | 0.936 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -21.1 | 168.1 | -66.8 | -151.7 | 168.6 | 0 | 0 | 112.7 | E75 L76 | E75-M78 PolarHBondContact O-N 3.39Å; L76-M78 PolarHBondContact O-N 3.42Å; L76-M78 VanDerWaalsContact O-N 3.1Å |
| 79 | D | 49.3 | Very low | 50.8 | Low | 74 Ų | 74 | 89.2 Ų | 89.2 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | trans | -114 | 100.6 | 173.5 | -163.5 | -20.7 | 0 | 0 | 0 | 111.1 | L76 L77 T81 A82 | L76-D79 PolarHBondContact O-N 2.66Å; L77-D79 VanDerWaalsContact C-N 3.27Å; D79-T81 PolarHBondContact O-N 3.49Å; D79-T81 VanDerWaalsContact OD1-CB 3.24Å; D79-T81 WeakPolarHBondContact OD1-CB 3.49Å; D79-T81 PolarHBondContact OD1-N 2.86Å; D79-T81 VanDerWaalsContact OD1-N 3.12Å; D79-T81 PolarHBondContact OD1-OG1 3.18Å; D79-A82 PolarHBondContact O-N 2.99Å | ||
| 80 | K | 52.8 | Low | 51 | Low | 187 Ų | 187 | 86.8 Ų | 86.8 | 81% | 0.813 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -49.7 | -27 | 178.4 | -73.5 | -179.1 | 176.3 | 178.3 | 0 | 113 | A84 | K80-A84 PolarHBondContact O-N 3.13Å |
| 81 | T | 52.8 | Low | 51.4 | Low | 77 Ų | 77 | 86.8 Ų | 86.8 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | -178 | -34.9 | 0 | 0 | 0 | 0 | 112 | D79 K85 | D79-T81 PolarHBondContact O-N 3.49Å; D79-T81 VanDerWaalsContact OD1-CB 3.24Å; D79-T81 WeakPolarHBondContact OD1-CB 3.49Å; D79-T81 PolarHBondContact OD1-N 2.86Å; D79-T81 VanDerWaalsContact OD1-N 3.12Å; D79-T81 PolarHBondContact OD1-OG1 3.18Å; T81-K85 WeakPolarHBondContact O-CG 3.31Å; T81-K85 PolarHBondContact O-N 3.2Å; T81-K85 VanDerWaalsContact O-N 3.1Å |
| 82 | A | 47.3 | Very low | 51.6 | Low | 4 Ų | 4 | 82.2 Ų | 82.2 | 3% | 0.033 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -72.9 | -39.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L76 D79 K85 L86 F118 F121 | L76-A82 HydrophobicContact CD2-CB 3.39Å; D79-A82 PolarHBondContact O-N 2.99Å; A82-K85 PolarHBondContact O-N 3.37Å; A82-L86 WeakPolarHBondContact O-CB 3.37Å; A82-L86 PolarHBondContact O-N 3.43Å; A82-F118 HydrophobicContact CB-CE2 4.46Å; A82-F118 WeakPolarHBondContact O-CZ 3.03Å; A82-F121 HydrophobicContact CB-CE1 4.41Å |
| 83 | R | 51.9 | Low | 52 | Low | 116 Ų | 116 | 80.6 Ų | 80.6 | 44% | 0.438 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 173.7 | -177.7 | 159.7 | -178.5 | -171.4 | 8 | 112.4 | K85 L86 D87 | R83-K85 VanDerWaalsContact C-N 3.29Å; R83-K85 PolarHBondContact O-N 3.37Å; R83-L86 PolarHBondContact O-N 3.38Å; R83-D87 PolarHBondContact O-N 3.05Å |
| 84 | A | 58.5 | Low | 52.4 | Low | 60 Ų | 60 | 85.1 Ų | 85.1 | 50% | 0.496 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K80 K88 | K80-A84 PolarHBondContact O-N 3.13Å; A84-K88 VanDerWaalsContact O-CB 3.27Å; A84-K88 WeakPolarHBondContact O-CB 3.42Å; A84-K88 PolarHBondContact O-N 3.28Å |
| 85 | K | 53.4 | Low | 52.6 | Low | 113 Ų | 113 | 84.1 Ų | 84.1 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 174.4 | -75.4 | 179.9 | 179.1 | -177.3 | 0 | 112.4 | T81 A82 R83 L89 F118 | T81-K85 WeakPolarHBondContact O-CG 3.31Å; T81-K85 PolarHBondContact O-N 3.2Å; T81-K85 VanDerWaalsContact O-N 3.1Å; A82-K85 PolarHBondContact O-N 3.37Å; R83-K85 VanDerWaalsContact C-N 3.29Å; R83-K85 PolarHBondContact O-N 3.37Å; K85-L89 VanDerWaalsContact O-CB 3.3Å; K85-L89 WeakPolarHBondContact O-CB 3.3Å; K85-L89 PolarHBondContact O-N 2.95Å; K85-F118 HydrophobicContact CB-CD2 3.81Å; K85-F118 HydrophobicContact CB-CE1 4.37Å; K85-F118 HydrophobicContact CB-CE2 3.37Å; K85-F118 HydrophobicContact CB-CG 4.48Å; K85-F118 HydrophobicContact CB-CZ 3.68Å; K85-F118 HydrophobicContact CD-CD2 3.62Å; K85-F118 HydrophobicContact CD-CE2 3.74Å; K85-F118 HydrophobicContact CG-CD2 4.36Å; K85-F118 HydrophobicContact CG-CE2 4.2Å |
| 86 | L | 55.7 | Low | 52.4 | Low | 30 Ų | 30 | 82.2 Ų | 82.2 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 174.7 | -176.7 | 66.1 | 0 | 0 | 0 | 111.7 | T73 A82 R83 L89 M90 F118 | T73-L86 HydrophobicContact CG2-CD2 4.13Å; A82-L86 WeakPolarHBondContact O-CB 3.37Å; A82-L86 PolarHBondContact O-N 3.43Å; R83-L86 PolarHBondContact O-N 3.38Å; L86-L89 HydrophobicContact CD1-CD2 4.41Å; L86-L89 WeakPolarHBondContact O-CB 3.48Å; L86-L89 PolarHBondContact O-N 3Å; L86-M90 VanDerWaalsContact O-CG 3.32Å; L86-M90 WeakPolarHBondContact O-CG 3.43Å; L86-M90 PolarHBondContact O-N 2.76Å; L86-F118 HydrophobicContact CB-CE1 4.31Å; L86-F118 HydrophobicContact CB-CZ 4.22Å; L86-F118 HydrophobicContact CD1-CE1 4.44Å |
| 87 | D | 61.3 | Low | 52.4 | Low | 88 Ų | 88 | 86.3 Ų | 86.3 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 178.5 | -72.5 | -25.4 | 0 | 0 | 0 | 111.2 | R83 L89 M90 E91 | R83-D87 PolarHBondContact O-N 3.05Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.04Å; D87-M90 WeakPolarHBondContact O-CB 3.24Å; D87-M90 PolarHBondContact O-N 3.21Å; D87-E91 PolarHBondContact O-N 2.8Å |
| 88 | K | 57.7 | Low | 52.3 | Low | 144 Ų | 144 | 88 Ų | 88 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 175.1 | -166.1 | 173.8 | -175 | -176.3 | 0 | 112.2 | A84 E91 V92 | A84-K88 VanDerWaalsContact O-CB 3.27Å; A84-K88 WeakPolarHBondContact O-CB 3.42Å; A84-K88 PolarHBondContact O-N 3.28Å; K88-E91 WeakPolarHBondContact O-CB 3.3Å; K88-E91 PolarHBondContact O-N 3.27Å; K88-V92 WeakPolarHBondContact O-CG2 3.37Å; K88-V92 PolarHBondContact O-N 3.31Å; K88-V92 VanDerWaalsContact O-N 3.1Å |
| 89 | L | 58.1 | Low | 51.9 | Low | 23 Ų | 23 | 83.4 Ų | 83.4 | 12% | 0.12 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 172.6 | 175.2 | 70.5 | 0 | 0 | 0 | 111.3 | K85 L86 D87 E91 V92 M93 F115 | K85-L89 VanDerWaalsContact O-CB 3.3Å; K85-L89 WeakPolarHBondContact O-CB 3.3Å; K85-L89 PolarHBondContact O-N 2.95Å; L86-L89 HydrophobicContact CD1-CD2 4.41Å; L86-L89 WeakPolarHBondContact O-CB 3.48Å; L86-L89 PolarHBondContact O-N 3Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.04Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 PolarHBondContact O-N 2.84Å; L89-V92 PolarHBondContact O-N 2.92Å; L89-M93 HydrophobicContact CD1-CG 4.46Å; L89-M93 HydrophobicContact CD1-SD 4.49Å; L89-M93 HydrophobicContact CD2-CE 4.27Å; L89-M93 HydrophobicContact CG-CE 3.96Å; L89-M93 HydrophobicContact CG-SD 4.25Å; L89-M93 WeakPolarHBondContact O-CG 3.41Å; L89-M93 PolarHBondContact O-N 2.87Å; L89-F115 HydrophobicContact CD1-CD2 3.42Å; L89-F115 VanDerWaalsContact CD1-CD2 3.42Å; L89-F115 HydrophobicContact CD1-CE2 3.77Å; L89-F115 HydrophobicContact CD2-CD2 3.78Å; L89-F115 HydrophobicContact CD2-CE2 3.61Å; L89-F115 HydrophobicContact CG-CD2 4.21Å; L89-F115 HydrophobicContact CG-CE2 4.25Å |
| 90 | M | 58.7 | Low | 51.6 | Low | 23 Ų | 23 | 85.8 Ų | 85.8 | 11% | 0.113 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 176.2 | -69.5 | -63.1 | -43.8 | 0 | 0 | 112 | L86 D87 M93 N94 | L86-M90 VanDerWaalsContact O-CG 3.32Å; L86-M90 WeakPolarHBondContact O-CG 3.43Å; L86-M90 PolarHBondContact O-N 2.76Å; D87-M90 WeakPolarHBondContact O-CB 3.24Å; D87-M90 PolarHBondContact O-N 3.21Å; M90-M93 HydrophobicContact CE-CE 3.98Å; M90-M93 HydrophobicContact CG-CE 4.16Å; M90-M93 PolarHBondContact O-N 3.46Å; M90-M93 HydrophobicContact SD-CE 3.18Å; M90-M93 WeakPolarHBondContact SD-CE 3.34Å; M90-N94 VanDerWaalsContact O-CB 3.23Å; M90-N94 WeakPolarHBondContact O-CB 3.28Å; M90-N94 VanDerWaalsContact O-CG 3.24Å; M90-N94 PolarHBondContact O-N 3.22Å; M90-N94 PolarHBondContact O-ND2 2.82Å; M90-N94 VanDerWaalsContact O-ND2 3.13Å |
| 91 | E | 60.6 | Low | 51 | Low | 138 Ų | 138 | 79.5 Ų | 79.5 | 65% | 0.645 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.7 | -46 | 174.3 | -169.9 | 178.4 | -169.8 | 0 | 0 | 111 | D87 K88 L89 N94 S95 | D87-E91 PolarHBondContact O-N 2.8Å; K88-E91 WeakPolarHBondContact O-CB 3.3Å; K88-E91 PolarHBondContact O-N 3.27Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 PolarHBondContact O-N 2.84Å; E91-N94 PolarHBondContact O-N 2.78Å; E91-S95 WeakPolarHBondContact O-CB 3.17Å; E91-S95 PolarHBondContact O-N 2.99Å |
| 92 | V | 53.8 | Low | 50.3 | Low | 49 Ų | 49 | 88.3 Ų | 88.3 | 30% | 0.297 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | V40 K88 L89 N94 S95 I111 | V40-V92 HydrophobicContact CG2-CG1 4.06Å; K88-V92 WeakPolarHBondContact O-CG2 3.37Å; K88-V92 PolarHBondContact O-N 3.31Å; K88-V92 VanDerWaalsContact O-N 3.1Å; L89-V92 PolarHBondContact O-N 2.92Å; V92-N94 VanDerWaalsContact C-N 3.34Å; V92-S95 PolarHBondContact O-OG 3.1Å; V92-I111 HydrophobicContact CG1-CD1 4.25Å; V92-I111 HydrophobicContact CG1-CG2 4.41Å |
| 93 | M | 53.3 | Low | 49.9 | Very low | 11 Ų | 11 | 91.6 Ų | 91.6 | 5% | 0.054 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -71 | -28.9 | 177.3 | -70.7 | -173.8 | -53.9 | 0 | 0 | 112.9 | I37 V40 L89 M90 | I37-M93 HydrophobicContact CB-SD 3.95Å; I37-M93 HydrophobicContact CG2-CB 4.44Å; I37-M93 HydrophobicContact CG2-CE 4.46Å; I37-M93 HydrophobicContact CG2-CG 4.39Å; I37-M93 HydrophobicContact CG2-SD 3.61Å; V40-M93 HydrophobicContact CB-CG 4.36Å; V40-M93 HydrophobicContact CG2-CG 4.05Å; L89-M93 HydrophobicContact CD1-CG 4.46Å; L89-M93 HydrophobicContact CD1-SD 4.49Å; L89-M93 HydrophobicContact CD2-CE 4.27Å; L89-M93 HydrophobicContact CG-CE 3.96Å; L89-M93 HydrophobicContact CG-SD 4.25Å; L89-M93 WeakPolarHBondContact O-CG 3.41Å; L89-M93 PolarHBondContact O-N 2.87Å; M90-M93 HydrophobicContact CE-CE 3.98Å; M90-M93 HydrophobicContact CG-CE 4.16Å; M90-M93 PolarHBondContact O-N 3.46Å; M90-M93 HydrophobicContact SD-CE 3.18Å; M90-M93 WeakPolarHBondContact SD-CE 3.34Å |
| 94 | N | 53.6 | Low | 49.2 | Very low | 109 Ų | 109 | 91 Ų | 91 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -91.8 | -18.6 | -179.9 | -73.6 | -32.6 | 0 | 0 | 0 | 113.5 | M90 E91 V92 T96 | M90-N94 VanDerWaalsContact O-CB 3.23Å; M90-N94 WeakPolarHBondContact O-CB 3.28Å; M90-N94 VanDerWaalsContact O-CG 3.24Å; M90-N94 PolarHBondContact O-N 3.22Å; M90-N94 PolarHBondContact O-ND2 2.82Å; M90-N94 VanDerWaalsContact O-ND2 3.13Å; E91-N94 PolarHBondContact O-N 2.78Å; V92-N94 VanDerWaalsContact C-N 3.34Å; N94-T96 PolarHBondContact O-N 3.23Å; N94-T96 PolarHBondContact O-OG1 3.48Å |
| 95 | S | 49.7 | Very low | 48.4 | Very low | 65 Ų | 65 | 95.6 Ų | 95.6 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | trans | -67.8 | 98.8 | 177.1 | 62 | 0 | 0 | 0 | 0 | 109.5 | E91 V92 D97 | E91-S95 WeakPolarHBondContact O-CB 3.17Å; E91-S95 PolarHBondContact O-N 2.99Å; V92-S95 PolarHBondContact O-OG 3.1Å; S95-D97 PolarHBondContact O-N 3.02Å | ||
| 96 | T | 41.9 | Very low | 47.7 | Very low | 125 Ų | 125 | 98.7 Ų | 98.7 | 77% | 0.767 | 52% | 0.52 | S | S | * | . | trans | -75.5 | 83.6 | -179.6 | -41.1 | 0 | 0 | 0 | 0 | 109.1 | N94 | N94-T96 PolarHBondContact O-N 3.23Å; N94-T96 PolarHBondContact O-OG1 3.48Å | ||
| 97 | D | 41.5 | Very low | 46.9 | Very low | 111 Ų | 111 | 98.8 Ų | 98.8 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | trans | -142.3 | 47.8 | 175.6 | -103.5 | -23.7 | 0 | 0 | 0 | 112.4 | S95 A99 N100 | S95-D97 PolarHBondContact O-N 3.02Å; D97-A99 PolarHBondContact O-N 3.25Å; D97-A99 VanDerWaalsContact O-N 3.1Å; D97-N100 PolarHBondContact O-N 3.25Å | ||
| 98 | I | 40.6 | Very low | 46 | Very low | 112 Ų | 112 | 96.5 Ų | 96.5 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -58.2 | -18.5 | 171.1 | -57.8 | -179.7 | 0 | 0 | 0 | 112.8 | D39 N100 V101 | D39-I98 HydrophobicContact CB-CG1 4.24Å; D39-I98 WeakPolarHBondContact OD1-CD1 3.18Å; D39-I98 WeakPolarHBondContact OD1-CG1 3.42Å; D39-I98 WeakPolarHBondContact OD2-CG1 3.37Å; I98-N100 PolarHBondContact O-N 2.93Å; I98-V101 PolarHBondContact O-N 3.31Å |
| 99 | A | 38.1 | Very low | 45.2 | Very low | 92 Ų | 92 | 94 Ų | 94 | 76% | 0.76 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -60.5 | -20.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D97 | D97-A99 PolarHBondContact O-N 3.25Å; D97-A99 VanDerWaalsContact O-N 3.1Å |
| 100 | N | 41.8 | Very low | 44.6 | Very low | 124 Ų | 124 | 99.5 Ų | 99.5 | 66% | 0.663 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -111.3 | -3.2 | -176.5 | -81.1 | -28.8 | 0 | 0 | 0 | 115.8 | D97 I98 R102 | D97-N100 PolarHBondContact O-N 3.25Å; I98-N100 PolarHBondContact O-N 2.93Å; N100-R102 VanDerWaalsContact C-N 3.32Å; N100-R102 PolarHBondContact O-N 2.84Å |
| 101 | V | 41 | Very low | 44 | Very low | 56 Ų | 56 | 101.5 Ų | 101.5 | 34% | 0.339 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -81.3 | -5.6 | -170.6 | -177 | 0 | 0 | 0 | 0 | 114 | I98 G103 Q104 | I98-V101 PolarHBondContact O-N 3.31Å; V101-G103 PolarHBondContact O-N 2.64Å; V101-Q104 HydrophobicContact CG1-CB 4.31Å; V101-Q104 PolarHBondContact O-N 2.84Å |
| 102 | R | 38.1 | Very low | 43.3 | Very low | 261 Ų | 261 | 97.9 Ų | 97.9 | 99% | 0.985 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -57.8 | -15.3 | 174.4 | -108.7 | -176.8 | 179.8 | -171.6 | 0.1 | 114.4 | N100 | N100-R102 VanDerWaalsContact C-N 3.32Å; N100-R102 PolarHBondContact O-N 2.84Å |
| 103 | G | 38.1 | Very low | 42.9 | Very low | 74 Ų | 74 | 101.4 Ų | 101.4 | 76% | 0.763 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -107.7 | 1.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V101 | V101-G103 PolarHBondContact O-N 2.64Š|
| 104 | Q | 38.7 | Very low | 42.7 | Very low | 104 Ų | 104 | 108 Ų | 108 | 49% | 0.486 | 57% | 0.566 | S | S | . | * | trans | -121.2 | 26.9 | -165.6 | -77.8 | -162.3 | 21 | 0 | 0 | 114.7 | V101 F106 A107 A108 | V101-Q104 HydrophobicContact CG1-CB 4.31Å; V101-Q104 PolarHBondContact O-N 2.84Å; Q104-F106 PolarHBondContact O-N 2.85Å; Q104-A107 HydrophobicContact CB-CB 4.02Å; Q104-A107 HydrophobicContact CG-CB 4.27Å; Q104-A107 PolarHBondContact O-N 3.3Å; Q104-A108 PolarHBondContact O-N 3.33Å | ||
| 105 | F | 41.7 | Very low | 42.5 | Very low | 156 Ų | 156 | 103.1 Ų | 103.1 | 68% | 0.684 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -50 | -37.3 | 173.3 | -164.8 | -94.4 | 0 | 0 | 0 | 111.9 | F109 | F105-F109 HydrophobicContact CE1-CD2 4.02Å; F105-F109 HydrophobicContact CE1-CE2 4.44Å; F105-F109 WeakPolarHBondContact O-CB 3.31Å; F105-F109 PolarHBondContact O-N 3.16Å |
| 106 | F | 37.1 | Very low | 42.6 | Very low | 177 Ų | 177 | 101.8 Ų | 101.8 | 78% | 0.776 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.4 | -36.6 | 174.9 | -87.6 | -81.9 | 0 | 0 | 0 | 114.7 | Q104 F109 Q110 | Q104-F106 PolarHBondContact O-N 2.85Å; F106-F109 PolarHBondContact O-N 2.77Å; F106-Q110 WeakPolarHBondContact O-CB 3.29Å; F106-Q110 PolarHBondContact O-N 3.37Å |
| 107 | A | 40.3 | Very low | 43 | Very low | 32 Ų | 32 | 100.5 Ų | 100.5 | 26% | 0.264 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.5 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q104 F109 Q110 I111 | Q104-A107 HydrophobicContact CB-CB 4.02Å; Q104-A107 HydrophobicContact CG-CB 4.27Å; Q104-A107 PolarHBondContact O-N 3.3Å; A107-F109 VanDerWaalsContact C-N 3.32Å; A107-F109 PolarHBondContact O-N 3.03Å; A107-Q110 PolarHBondContact O-N 3.45Å; A107-I111 WeakPolarHBondContact O-CB 3.31Å; A107-I111 WeakPolarHBondContact O-CD1 3.38Å; A107-I111 WeakPolarHBondContact O-CG1 3.38Å; A107-I111 PolarHBondContact O-N 3.24Å |
| 108 | A | 41.6 | Very low | 43.4 | Very low | 40 Ų | 40 | 96 Ų | 96 | 33% | 0.331 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q104 Y112 | Q104-A108 PolarHBondContact O-N 3.33Å; A108-Y112 VanDerWaalsContact O-CB 3.3Å; A108-Y112 WeakPolarHBondContact O-CB 3.42Å; A108-Y112 PolarHBondContact O-N 3.41Å |
| 109 | F | 40.5 | Very low | 44 | Very low | 92 Ų | 92 | 91.9 Ų | 91.9 | 40% | 0.404 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 176 | -143.2 | -88.9 | 0 | 0 | 0 | 113.1 | F105 F106 A107 Y112 F113 | F105-F109 HydrophobicContact CE1-CD2 4.02Å; F105-F109 HydrophobicContact CE1-CE2 4.44Å; F105-F109 WeakPolarHBondContact O-CB 3.31Å; F105-F109 PolarHBondContact O-N 3.16Å; F106-F109 PolarHBondContact O-N 2.77Å; A107-F109 VanDerWaalsContact C-N 3.32Å; A107-F109 PolarHBondContact O-N 3.03Å; F109-Y112 WeakPolarHBondContact O-CB 3.38Å; F109-Y112 PolarHBondContact O-N 3.49Å; F109-F113 HydrophobicContact CD1-CD2 4.3Å; F109-F113 HydrophobicContact CE1-CD2 4.25Å; F109-F113 HydrophobicContact CE1-CE2 4.3Å; F109-F113 PolarHBondContact O-N 3.11Å |
| 110 | Q | 46.4 | Very low | 44.7 | Very low | 139 Ų | 139 | 92.6 Ų | 92.6 | 65% | 0.65 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -74.7 | -38.2 | 177.3 | -160 | 167.8 | -3.2 | 0 | 0 | 111.2 | F106 A107 Y112 F113 E114 | F106-Q110 WeakPolarHBondContact O-CB 3.29Å; F106-Q110 PolarHBondContact O-N 3.37Å; A107-Q110 PolarHBondContact O-N 3.45Å; Q110-Y112 VanDerWaalsContact C-N 3.33Å; Q110-F113 PolarHBondContact O-N 3.02Å; Q110-E114 PolarHBondContact O-N 2.74Å |
| 111 | I | 45.1 | Very low | 45.1 | Very low | 65 Ų | 65 | 90.2 Ų | 90.2 | 33% | 0.333 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 167.3 | -68.1 | 164.1 | 0 | 0 | 0 | 109.8 | V40 V92 A107 F113 E114 F115 | V40-I111 HydrophobicContact CG1-CG2 4.49Å; V92-I111 HydrophobicContact CG1-CD1 4.25Å; V92-I111 HydrophobicContact CG1-CG2 4.41Å; A107-I111 WeakPolarHBondContact O-CB 3.31Å; A107-I111 WeakPolarHBondContact O-CD1 3.38Å; A107-I111 WeakPolarHBondContact O-CG1 3.38Å; A107-I111 PolarHBondContact O-N 3.24Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 3.44Å; I111-E114 PolarHBondContact O-N 3.41Å; I111-F115 WeakPolarHBondContact O-CB 3.39Å; I111-F115 PolarHBondContact O-N 3.36Å |
| 112 | Y | 46.1 | Very low | 45.4 | Very low | 62 Ų | 62 | 88.5 Ų | 88.5 | 24% | 0.243 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 173.2 | 174.2 | -94 | 0 | 0 | 0 | 112.5 | M41 A108 F109 Q110 F115 A116 | M41-Y112 HydrophobicContact CE-CD2 3.64Å; M41-Y112 HydrophobicContact CE-CE2 3.52Å; M41-Y112 HydrophobicContact CE-CG 4.23Å; M41-Y112 WeakPolarHBondContact O-CD2 3.39Å; A108-Y112 VanDerWaalsContact O-CB 3.3Å; A108-Y112 WeakPolarHBondContact O-CB 3.42Å; A108-Y112 PolarHBondContact O-N 3.41Å; F109-Y112 WeakPolarHBondContact O-CB 3.38Å; F109-Y112 PolarHBondContact O-N 3.49Å; Q110-Y112 VanDerWaalsContact C-N 3.33Å; Y112-F115 WeakPolarHBondContact O-CB 3.31Å; Y112-F115 PolarHBondContact O-N 3.2Å; Y112-A116 VanDerWaalsContact O-CB 3.28Å; Y112-A116 WeakPolarHBondContact O-CB 3.28Å; Y112-A116 PolarHBondContact O-N 2.92Å |
| 113 | F | 46.4 | Very low | 45.9 | Very low | 122 Ų | 122 | 80.1 Ų | 80.1 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 177.4 | -119.5 | -82.4 | 0 | 0 | 0 | 112.6 | F109 Q110 I111 F115 N117 | F109-F113 HydrophobicContact CD1-CD2 4.3Å; F109-F113 HydrophobicContact CE1-CD2 4.25Å; F109-F113 HydrophobicContact CE1-CE2 4.3Å; F109-F113 PolarHBondContact O-N 3.11Å; Q110-F113 PolarHBondContact O-N 3.02Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 3.44Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-N117 WeakPolarHBondContact O-CB 3.44Å; F113-N117 PolarHBondContact O-N 3.1Å; F113-N117 PolarHBondContact O-ND2 2.74Å |
| 114 | E | 49.1 | Very low | 46.3 | Very low | 149 Ų | 149 | 85.6 Ų | 85.6 | 70% | 0.696 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.3 | -35.6 | 171.4 | -72.4 | -156.5 | 178.1 | 0 | 0 | 111.6 | Q110 I111 F118 | Q110-E114 PolarHBondContact O-N 2.74Å; I111-E114 PolarHBondContact O-N 3.41Å; E114-F118 WeakPolarHBondContact O-CB 3.03Å; E114-F118 PolarHBondContact O-N 3.49Å |
| 115 | F | 49.2 | Very low | 46.5 | Very low | 7 Ų | 7 | 86.8 Ų | 86.8 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.1 | -47.7 | 176 | 179.1 | -105.2 | 0 | 0 | 0 | 112.5 | V42 W60 L89 I111 Y112 F113 N117 F118 L119 | V42-F115 VanDerWaalsContact CA-CE1 3.47Å; V42-F115 HydrophobicContact CB-CE1 3.58Å; V42-F115 HydrophobicContact CB-CZ 3.55Å; V42-F115 HydrophobicContact CG1-CE1 3.76Å; V42-F115 HydrophobicContact CG1-CE2 4.21Å; V42-F115 HydrophobicContact CG1-CZ 3.35Å; W60-F115 AromaticContact CH2-CE1 3.63Å; W60-F115 HydrophobicContact CH2-CE1 3.63Å; W60-F115 HydrophobicContact CH2-CE2 4.35Å; W60-F115 AromaticContact CH2-CZ 3.29Å; W60-F115 HydrophobicContact CH2-CZ 3.29Å; W60-F115 HydrophobicContact CZ2-CE1 4.23Å; W60-F115 HydrophobicContact CZ2-CZ 4.25Å; W60-F115 HydrophobicContact CZ3-CE1 4.39Å; W60-F115 HydrophobicContact CZ3-CE2 4.44Å; W60-F115 AromaticContact CZ3-CZ 3.61Å; W60-F115 HydrophobicContact CZ3-CZ 3.61Å; L89-F115 HydrophobicContact CD1-CD2 3.42Å; L89-F115 VanDerWaalsContact CD1-CD2 3.42Å; L89-F115 HydrophobicContact CD1-CE2 3.77Å; L89-F115 HydrophobicContact CD2-CD2 3.78Å; L89-F115 HydrophobicContact CD2-CE2 3.61Å; L89-F115 HydrophobicContact CG-CD2 4.21Å; L89-F115 HydrophobicContact CG-CE2 4.25Å; I111-F115 WeakPolarHBondContact O-CB 3.39Å; I111-F115 PolarHBondContact O-N 3.36Å; Y112-F115 WeakPolarHBondContact O-CB 3.31Å; Y112-F115 PolarHBondContact O-N 3.2Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F115-N117 VanDerWaalsContact C-N 3.32Å; F115-N117 PolarHBondContact O-N 3.46Å; F115-F118 PolarHBondContact O-N 2.88Å; F115-L119 HydrophobicContact CD1-CD1 3.48Å; F115-L119 VanDerWaalsContact CD1-CD1 3.48Å; F115-L119 HydrophobicContact CD2-CD1 4.2Å; F115-L119 HydrophobicContact CE1-CD1 3.24Å; F115-L119 HydrophobicContact CE1-CG 4.45Å; F115-L119 HydrophobicContact CE2-CD1 4.03Å; F115-L119 HydrophobicContact CG-CD1 3.98Å; F115-L119 HydrophobicContact CZ-CD1 3.58Å; F115-L119 HydrophobicContact CZ-CG 4.46Å; F115-L119 WeakPolarHBondContact O-CB 3.47Å; F115-L119 WeakPolarHBondContact O-CD1 3.05Å; F115-L119 VanDerWaalsContact O-CG 3.3Å; F115-L119 WeakPolarHBondContact O-CG 3.37Å; F115-L119 PolarHBondContact O-N 2.75Å |
| 116 | A | 50.5 | Low | 46.4 | Very low | 37 Ų | 37 | 80.6 Ų | 80.6 | 31% | 0.306 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y112 H120 | Y112-A116 VanDerWaalsContact O-CB 3.28Å; Y112-A116 WeakPolarHBondContact O-CB 3.28Å; Y112-A116 PolarHBondContact O-N 2.92Å; A116-H120 WeakPolarHBondContact O-CB 3.37Å; A116-H120 PolarHBondContact O-N 2.87Å |
| 117 | N | 50.5 | Low | 46.5 | Very low | 98 Ų | 98 | 77.6 Ų | 77.6 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 174.1 | -78 | -41.8 | 0 | 0 | 0 | 112.6 | F113 F115 H120 F121 | F113-N117 WeakPolarHBondContact O-CB 3.44Å; F113-N117 PolarHBondContact O-N 3.1Å; F113-N117 PolarHBondContact O-ND2 2.74Å; F115-N117 VanDerWaalsContact C-N 3.32Å; F115-N117 PolarHBondContact O-N 3.46Å; N117-H120 PolarHBondContact O-N 2.93Å; N117-F121 WeakPolarHBondContact O-CB 3.37Å; N117-F121 PolarHBondContact O-N 3.27Å |
| 118 | F | 50.7 | Low | 46.5 | Very low | 17 Ų | 17 | 78.6 Ų | 78.6 | 8% | 0.075 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.8 | -39.9 | 177.3 | -179.1 | -112.4 | 0 | 0 | 0 | 112.5 | A82 K85 L86 E114 F115 F121 I122 | A82-F118 HydrophobicContact CB-CE2 4.46Å; A82-F118 WeakPolarHBondContact O-CZ 3.03Å; K85-F118 HydrophobicContact CB-CD2 3.81Å; K85-F118 HydrophobicContact CB-CE1 4.37Å; K85-F118 HydrophobicContact CB-CE2 3.37Å; K85-F118 HydrophobicContact CB-CG 4.48Å; K85-F118 HydrophobicContact CB-CZ 3.68Å; K85-F118 HydrophobicContact CD-CD2 3.62Å; K85-F118 HydrophobicContact CD-CE2 3.74Å; K85-F118 HydrophobicContact CG-CD2 4.36Å; K85-F118 HydrophobicContact CG-CE2 4.2Å; L86-F118 HydrophobicContact CB-CE1 4.31Å; L86-F118 HydrophobicContact CB-CZ 4.22Å; L86-F118 HydrophobicContact CD1-CE1 4.44Å; E114-F118 WeakPolarHBondContact O-CB 3.03Å; E114-F118 PolarHBondContact O-N 3.49Å; F115-F118 PolarHBondContact O-N 2.88Å; F118-F121 WeakPolarHBondContact O-CB 3.45Å; F118-F121 PolarHBondContact O-N 2.81Å; F118-I122 HydrophobicContact CD1-CD1 4.2Å; F118-I122 HydrophobicContact CE1-CD1 3.49Å; F118-I122 VanDerWaalsContact CE1-CD1 3.49Å; F118-I122 HydrophobicContact CE1-CG1 4.25Å; F118-I122 HydrophobicContact CE2-CD1 4.3Å; F118-I122 HydrophobicContact CE2-CG1 4.35Å; F118-I122 HydrophobicContact CZ-CD1 3.56Å; F118-I122 HydrophobicContact CZ-CG1 4.09Å; F118-I122 PolarHBondContact O-N 3.48Å |
| 119 | L | 52.6 | Low | 46.5 | Very low | 25 Ų | 25 | 83.8 Ų | 83.8 | 13% | 0.131 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 170.9 | -71.4 | 159.7 | 0 | 0 | 0 | 110.8 | W60 F115 F121 I122 F123 | W60-L119 HydrophobicContact CH2-CD1 3.56Å; W60-L119 HydrophobicContact CH2-CD2 3.89Å; W60-L119 HydrophobicContact CH2-CG 4.38Å; W60-L119 HydrophobicContact CZ2-CD1 4.23Å; W60-L119 HydrophobicContact CZ3-CD2 4.33Å; F115-L119 HydrophobicContact CD1-CD1 3.48Å; F115-L119 VanDerWaalsContact CD1-CD1 3.48Å; F115-L119 HydrophobicContact CD2-CD1 4.2Å; F115-L119 HydrophobicContact CE1-CD1 3.24Å; F115-L119 HydrophobicContact CE1-CG 4.45Å; F115-L119 HydrophobicContact CE2-CD1 4.03Å; F115-L119 HydrophobicContact CG-CD1 3.98Å; F115-L119 HydrophobicContact CZ-CD1 3.58Å; F115-L119 HydrophobicContact CZ-CG 4.46Å; F115-L119 WeakPolarHBondContact O-CB 3.47Å; F115-L119 WeakPolarHBondContact O-CD1 3.05Å; F115-L119 VanDerWaalsContact O-CG 3.3Å; F115-L119 WeakPolarHBondContact O-CG 3.37Å; F115-L119 PolarHBondContact O-N 2.75Å; L119-F121 PolarHBondContact O-N 3.45Å; L119-I122 PolarHBondContact O-N 3.17Å; L119-F123 HydrophobicContact CB-CD2 4.08Å; L119-F123 HydrophobicContact CB-CE2 4.09Å; L119-F123 HydrophobicContact CD2-CE2 3.88Å; L119-F123 WeakPolarHBondContact O-CB 3.35Å; L119-F123 WeakPolarHBondContact O-CD2 3.5Å; L119-F123 PolarHBondContact O-N 2.84Å |
| 120 | H | 52.3 | Low | 46.5 | Very low | 107 Ų | 107 | 87.6 Ų | 87.6 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 174.5 | -169.2 | 22.4 | 0 | 0 | 0 | 110.7 | A116 N117 R124 | A116-H120 WeakPolarHBondContact O-CB 3.37Å; A116-H120 PolarHBondContact O-N 2.87Å; N117-H120 PolarHBondContact O-N 2.93Å; H120-R124 WeakPolarHBondContact O-CB 3.35Å; H120-R124 PolarHBondContact O-N 2.85Å |
| 121 | F | 50.7 | Low | 46.1 | Very low | 75 Ų | 75 | 86.6 Ų | 86.6 | 33% | 0.329 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -51.4 | 171.1 | -179.5 | -93.4 | 0 | 0 | 0 | 111.8 | A82 N117 F118 L119 F123 R124 E125 | A82-F121 HydrophobicContact CB-CE1 4.41Å; N117-F121 WeakPolarHBondContact O-CB 3.37Å; N117-F121 PolarHBondContact O-N 3.27Å; F118-F121 WeakPolarHBondContact O-CB 3.45Å; F118-F121 PolarHBondContact O-N 2.81Å; L119-F121 PolarHBondContact O-N 3.45Å; F121-F123 PolarHBondContact O-N 3.43Å; F121-R124 PolarHBondContact O-N 3.05Å; F121-E125 HydrophobicContact CD2-CG 3.79Å; F121-E125 HydrophobicContact CE2-CB 4.46Å; F121-E125 HydrophobicContact CE2-CG 3.66Å; F121-E125 HydrophobicContact CG-CG 4.31Å; F121-E125 HydrophobicContact CZ-CB 4.42Å; F121-E125 HydrophobicContact CZ-CG 4.08Å; F121-E125 VanDerWaalsContact O-CB 3.23Å; F121-E125 WeakPolarHBondContact O-CB 3.23Å; F121-E125 PolarHBondContact O-N 3.18Å |
| 122 | I | 48 | Very low | 45.8 | Very low | 19 Ų | 19 | 88.8 Ų | 88.8 | 10% | 0.097 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 176.3 | -70.2 | -172.5 | 0 | 0 | 0 | 111.3 | L76 F118 L119 R124 C126 | L76-I122 HydrophobicContact CD1-CG2 4.44Å; L76-I122 HydrophobicContact CD2-CG1 4.29Å; F118-I122 HydrophobicContact CD1-CD1 4.2Å; F118-I122 HydrophobicContact CE1-CD1 3.49Å; F118-I122 VanDerWaalsContact CE1-CD1 3.49Å; F118-I122 HydrophobicContact CE1-CG1 4.25Å; F118-I122 HydrophobicContact CE2-CD1 4.3Å; F118-I122 HydrophobicContact CE2-CG1 4.35Å; F118-I122 HydrophobicContact CZ-CD1 3.56Å; F118-I122 HydrophobicContact CZ-CG1 4.09Å; F118-I122 PolarHBondContact O-N 3.48Å; L119-I122 PolarHBondContact O-N 3.17Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 3.03Å; I122-C126 WeakPolarHBondContact O-CA 2.97Å; I122-C126 WeakPolarHBondContact O-CB 3.26Å; I122-C126 PolarHBondContact O-N 3.05Å |
| 123 | F | 48.2 | Very low | 45.4 | Very low | 86 Ų | 86 | 89.2 Ų | 89.2 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -75.3 | -20.1 | -178.9 | -73.4 | -62.4 | 0 | 0 | 0 | 114.1 | K59 L119 F121 I128 | K59-F123 HydrophobicContact CD-CZ 4.43Å; L119-F123 HydrophobicContact CB-CD2 4.08Å; L119-F123 HydrophobicContact CB-CE2 4.09Å; L119-F123 HydrophobicContact CD2-CE2 3.88Å; L119-F123 WeakPolarHBondContact O-CB 3.35Å; L119-F123 WeakPolarHBondContact O-CD2 3.5Å; L119-F123 PolarHBondContact O-N 2.84Å; F121-F123 PolarHBondContact O-N 3.43Å; F123-I128 HydrophobicContact CD1-CD1 3.92Å; F123-I128 HydrophobicContact CE1-CD1 3.82Å |
| 124 | R | 46.4 | Very low | 44.9 | Very low | 189 Ų | 189 | 89 Ų | 89 | 71% | 0.713 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -95.7 | -36.1 | 179.7 | -170.6 | -179.8 | 175.8 | -178.6 | -2.9 | 112.4 | H120 F121 I122 | H120-R124 WeakPolarHBondContact O-CB 3.35Å; H120-R124 PolarHBondContact O-N 2.85Å; F121-R124 PolarHBondContact O-N 3.05Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 3.03Å |
| 125 | E | 44.1 | Very low | 44.6 | Very low | 129 Ų | 129 | 84.2 Ų | 84.2 | 60% | 0.603 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -97.7 | -24.8 | -177.6 | -65.4 | -81 | 147.3 | 0 | 0 | 112.6 | F121 P127 | F121-E125 HydrophobicContact CD2-CG 3.79Å; F121-E125 HydrophobicContact CE2-CB 4.46Å; F121-E125 HydrophobicContact CE2-CG 3.66Å; F121-E125 HydrophobicContact CG-CG 4.31Å; F121-E125 HydrophobicContact CZ-CB 4.42Å; F121-E125 HydrophobicContact CZ-CG 4.08Å; F121-E125 VanDerWaalsContact O-CB 3.23Å; F121-E125 WeakPolarHBondContact O-CB 3.23Å; F121-E125 PolarHBondContact O-N 3.18Å; E125-P127 VanDerWaalsContact O-CD 3.26Å; E125-P127 WeakPolarHBondContact O-CD 3.42Å |
| 126 | C | 38.9 | Very low | 44.1 | Very low | 25 Ų | 25 | 87.8 Ų | 87.8 | 17% | 0.169 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -90.4 | 111.3 | 162.2 | -60.6 | 0 | 0 | 0 | 0 | 108.3 | L76 I122 I128 | L76-C126 WeakPolarHBondContact CD1-SG 3.24Å; L76-C126 WeakPolarHBondContact CG-SG 3.06Å; I122-C126 WeakPolarHBondContact O-CA 2.97Å; I122-C126 WeakPolarHBondContact O-CB 3.26Å; I122-C126 PolarHBondContact O-N 3.05Å; C126-I128 HydrophobicContact CB-CG1 4.12Å; C126-I128 PolarHBondContact O-N 3.4Å |
| 127 | P | 38.4 | Very low | 43.5 | Very low | 114 Ų | 114 | 89.4 Ų | 89.4 | 74% | 0.74 | 43% | 0.431 | S | S | * | . | trans | -71.2 | 72.4 | 160.7 | 33.5 | -30.1 | 0 | 0 | 0 | 105.9 | E125 R129 | E125-P127 VanDerWaalsContact O-CD 3.26Å; E125-P127 WeakPolarHBondContact O-CD 3.42Å; P127-R129 PolarHBondContact O-N 3.5Å | ||
| 128 | I | 41.5 | Very low | 42.8 | Very low | 53 Ų | 53 | 89 Ų | 89 | 27% | 0.272 | 43% | 0.433 | S | S | . | . | trans | -55.3 | 104.6 | 155.7 | -61.3 | 158.8 | 0 | 0 | 0 | 102.1 | Y72 F123 C126 K130 | Y72-I128 HydrophobicContact CD1-CD1 4.4Å; Y72-I128 HydrophobicContact CE1-CD1 3.62Å; Y72-I128 HydrophobicContact CE1-CG1 4.1Å; F123-I128 HydrophobicContact CD1-CD1 3.92Å; F123-I128 HydrophobicContact CE1-CD1 3.82Å; C126-I128 HydrophobicContact CB-CG1 4.12Å; C126-I128 PolarHBondContact O-N 3.4Å; I128-K130 PolarHBondContact O-N 3.19Å | ||
| 129 | R | 41.1 | Very low | 42.3 | Very low | 149 Ų | 149 | 93 Ų | 93 | 56% | 0.562 | 46% | 0.458 | S | S | * | . | trans | -44.2 | 110.7 | 180 | -80.1 | 169.3 | 167.6 | -172.3 | -3.7 | 105.7 | P127 D131 E132 F133 | P127-R129 PolarHBondContact O-N 3.5Å; R129-D131 HydrophobicContact CB-CB 4.23Å; R129-D131 PolarHBondContact O-N 2.97Å; R129-E132 HydrophobicContact CB-CB 3.97Å; R129-E132 HydrophobicContact CB-CG 3.99Å; R129-E132 WeakPolarHBondContact CD-OE1 3.19Å; R129-E132 IonicContact CZ-OE1 2.79Å; R129-E132 IonicContact NE-OE1 2.66Å; R129-E132 IonicContact NH1-OE1 3.81Å; R129-E132 PolarHBondContact NH1-OE1 2.78Å; R129-E132 PolarHBondContact O-N 2.85Å; R129-F133 PolarHBondContact O-N 2.83Å | ||
| 130 | K | 39.7 | Very low | 41.7 | Very low | 172 Ų | 172 | 101.3 Ų | 101.3 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -45.2 | -32.5 | 165.8 | -103.9 | 178.1 | 169.8 | 178 | 0 | 109.2 | I128 F133 M134 | I128-K130 PolarHBondContact O-N 3.19Å; K130-F133 PolarHBondContact O-N 2.79Å; K130-M134 WeakPolarHBondContact O-CB 3.07Å; K130-M134 WeakPolarHBondContact O-CG 3.48Å; K130-M134 PolarHBondContact O-N 2.66Å; K130-M134 VanDerWaalsContact O-N 3.08Å |
| 131 | D | 38.7 | Very low | 41.1 | Very low | 118 Ų | 118 | 102.9 Ų | 102.9 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.6 | -36.2 | 177.9 | -35.9 | -29.9 | 0 | 0 | 0 | 113.7 | R129 A135 | R129-D131 HydrophobicContact CB-CB 4.23Å; R129-D131 PolarHBondContact O-N 2.97Å; D131-A135 WeakPolarHBondContact O-CB 3.1Å; D131-A135 PolarHBondContact O-N 3.23Å |
| 132 | E | 39.8 | Very low | 40.6 | Very low | 111 Ų | 111 | 106.3 Ų | 106.3 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -82 | -28.1 | 176.5 | -78.2 | 176 | -168.4 | 0 | 0 | 112.5 | R129 M134 | R129-E132 HydrophobicContact CB-CB 3.97Å; R129-E132 HydrophobicContact CB-CG 3.99Å; R129-E132 WeakPolarHBondContact CD-OE1 3.19Å; R129-E132 IonicContact CZ-OE1 2.79Å; R129-E132 IonicContact NE-OE1 2.66Å; R129-E132 IonicContact NH1-OE1 3.81Å; R129-E132 PolarHBondContact NH1-OE1 2.78Å; R129-E132 PolarHBondContact O-N 2.85Å; E132-M134 VanDerWaalsContact C-N 3.28Å |
| 133 | F | 37.2 | Very low | 40.2 | Very low | 72 Ų | 72 | 113.3 Ų | 113.3 | 32% | 0.316 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.3 | -32.2 | 170.5 | -152.1 | -89.4 | 0 | 0 | 0 | 111.5 | R129 K130 | R129-F133 PolarHBondContact O-N 2.83Å; K130-F133 PolarHBondContact O-N 2.79Å |
| 134 | M | 36.2 | Very low | 39.8 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -87.2 | -30.7 | 178.3 | -66.5 | -80.8 | -169.3 | 0 | 0 | 113.4 | K130 E132 D136 E137 | K130-M134 WeakPolarHBondContact O-CB 3.07Å; K130-M134 WeakPolarHBondContact O-CG 3.48Å; K130-M134 PolarHBondContact O-N 2.66Å; K130-M134 VanDerWaalsContact O-N 3.08Å; E132-M134 VanDerWaalsContact C-N 3.28Å; M134-D136 VanDerWaalsContact C-N 3.32Å; M134-D136 PolarHBondContact O-N 3.48Å; M134-E137 WeakPolarHBondContact O-CB 3.41Å; M134-E137 PolarHBondContact O-N 3.4Å; M134-E137 VanDerWaalsContact O-N 3.17Å |
| 135 | A | 41.6 | Very low | 39.4 | Very low | 50 Ų | 50 | 110.8 Ų | 110.8 | 41% | 0.413 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.6 | -30.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D131 E137 T138 | D131-A135 WeakPolarHBondContact O-CB 3.1Å; D131-A135 PolarHBondContact O-N 3.23Å; A135-E137 VanDerWaalsContact C-N 3.32Å; A135-T138 PolarHBondContact O-N 3.08Å; A135-T138 PolarHBondContact O-OG1 2.75Å |
| 136 | D | 39 | Very low | 39.2 | Very low | 82 Ų | 82 | 109.8 Ų | 109.8 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73 | -24.3 | 175.2 | -147.9 | 20.6 | 0 | 0 | 0 | 112 | R62 M134 T138 | R62-D136 IonicContact CZ-OD2 3.83Å; R62-D136 IonicContact NH2-OD2 2.74Å; R62-D136 PolarHBondContact NH2-OD2 2.92Å; M134-D136 VanDerWaalsContact C-N 3.32Å; M134-D136 PolarHBondContact O-N 3.48Å; D136-T138 VanDerWaalsContact C-N 3.35Å |
| 137 | E | 37.2 | Very low | 39.2 | Very low | 71 Ų | 71 | 114.8 Ų | 114.8 | 33% | 0.332 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.9 | -29.4 | 173.3 | -77.7 | -169.9 | 164.7 | 0 | 0 | 112.4 | K55 M134 A135 | K55-E137 WeakPolarHBondContact CE-OE1 3.15Å; K55-E137 IonicContact NZ-OE1 3.23Å; K55-E137 PolarHBondContact NZ-OE1 3.17Å; K55-E137 IonicContact NZ-OE2 3.66Å; K55-E137 PolarHBondContact NZ-OE2 3.17Å; M134-E137 WeakPolarHBondContact O-CB 3.41Å; M134-E137 PolarHBondContact O-N 3.4Å; M134-E137 VanDerWaalsContact O-N 3.17Å; A135-E137 VanDerWaalsContact C-N 3.32Å |
| 138 | T | 37 | Very low | 39.2 | Very low | 90 Ų | 90 | 114.8 Ų | 114.8 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.2 | -30.1 | 176.5 | 25.9 | 0 | 0 | 0 | 0 | 113.7 | A135 D136 R140 | A135-T138 PolarHBondContact O-N 3.08Å; A135-T138 PolarHBondContact O-OG1 2.75Å; D136-T138 VanDerWaalsContact C-N 3.35Å; T138-R140 VanDerWaalsContact C-N 3.34Å; T138-R140 PolarHBondContact O-N 2.85Å |
| 139 | V | 40.1 | Very low | 39.1 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 61% | 0.606 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76 | -24.2 | -178.4 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 140 | R | 40 | Very low | 38.9 | Very low | 199 Ų | 199 | 116.8 Ų | 116.8 | 75% | 0.751 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -89.7 | -15.4 | -178.8 | -119.8 | 179.2 | 178.7 | -172.8 | -0.7 | 115.3 | T138 | T138-R140 VanDerWaalsContact C-N 3.34Å; T138-R140 PolarHBondContact O-N 2.85Å |
| 141 | N | 39.6 | Very low | 38.9 | Very low | 141 Ų | 141 | 112.5 Ų | 112.5 | 75% | 0.754 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -93.9 | -5.3 | 176.7 | -79.6 | -28.1 | 0 | 0 | 0 | 113.8 | ||
| 142 | D | 40.6 | Very low | 38.9 | Very low | 146 Ų | 146 | 112.1 Ų | 112.1 | 78% | 0.781 | 60% | 0.6 | S | S | * | * | trans | -109.1 | 17.7 | 178.2 | -76.2 | -15.1 | 0 | 0 | 0 | 113.4 | ||||
| 143 | S | 38.6 | Very low | 38.8 | Very low | 167 Ų | 167 | 112.2 Ų | 112.2 | 100% | 1.168 | 61% | 0.607 | S | S | * | * | trans | -120.6 | 0 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 143 of 143 residues in 190.5 ms
(Link to these results)