| 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 | 24.3 | Very low | 29.2 | Very low | 227 Ų | 227 | 113.4 Ų | 113.4 | 100% | 1.118 | 68% | 0.68 | S | S | * | * | 0 | 107.8 | 0 | -170.5 | 169.9 | 173.3 | 0 | 0 | 106.9 | |||||
| 2 | L | 21.8 | Very low | 29.6 | Very low | 122 Ų | 122 | 111.5 Ų | 111.5 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | trans | -106.4 | 114.3 | 179.7 | -100.2 | 142.8 | 0 | 0 | 0 | 107.3 | L4 | L2-L4 PolarHBondContact O-N 3.08Š| ||
| 3 | T | 24.5 | Very low | 29.8 | Very low | 119 Ų | 119 | 109.3 Ų | 109.3 | 73% | 0.73 | 65% | 0.649 | S | S | * | * | trans | -81.8 | 105.4 | 172.5 | -43.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 4 | L | 25.8 | Very low | 30.1 | Very low | 87 Ų | 87 | 109.2 Ų | 109.2 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | trans | -87.9 | 117.6 | 166.8 | -65.5 | 175.1 | 0 | 0 | 0 | 106.8 | L2 D8 Y28 | L2-L4 PolarHBondContact O-N 3.08Å; L4-D8 WeakPolarHBondContact CA-OD2 3.28Å; L4-D8 HydrophobicContact CB-CB 4.33Å; L4-D8 WeakPolarHBondContact CB-OD2 3.16Å; L4-D8 HydrophobicContact CD2-CB 4.16Å; L4-D8 WeakPolarHBondContact CD2-OD2 3.08Å; L4-Y28 HydrophobicContact CD1-CD1 3.73Å; L4-Y28 HydrophobicContact CD1-CE1 3.31Å; L4-Y28 HydrophobicContact CG-CD1 4.48Å; L4-Y28 HydrophobicContact CG-CE1 4.11Å | ||
| 5 | T | 24.7 | Very low | 30.5 | Very low | 91 Ų | 91 | 114 Ų | 114 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | trans | -75.3 | 147.3 | 171.8 | 38.9 | 0 | 0 | 0 | 0 | 108.2 | D7 D8 | T5-D7 PolarHBondContact O-N 3.02Å; T5-D8 PolarHBondContact N-OD2 3.47Å; T5-D8 PolarHBondContact O-N 3.42Å | ||
| 6 | G | 28.8 | Very low | 30.7 | Very low | 89 Ų | 89 | 110.9 Ų | 110.9 | 92% | 0.918 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 6.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 7 | D | 30.3 | Very low | 30.7 | Very low | 155 Ų | 155 | 112.7 Ų | 112.7 | 83% | 0.829 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -0.8 | 173.4 | -66 | -50.8 | 0 | 0 | 0 | 113.3 | T5 | T5-D7 PolarHBondContact O-N 3.02Š|
| 8 | D | 32.6 | Very low | 30.7 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 42% | 0.417 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -70.3 | 125.7 | 178.2 | -80.6 | -52.3 | 0 | 0 | 0 | 110.7 | L4 T5 | L4-D8 WeakPolarHBondContact CA-OD2 3.28Å; L4-D8 HydrophobicContact CB-CB 4.33Å; L4-D8 WeakPolarHBondContact CB-OD2 3.16Å; L4-D8 HydrophobicContact CD2-CB 4.16Å; L4-D8 WeakPolarHBondContact CD2-OD2 3.08Å; T5-D8 PolarHBondContact N-OD2 3.47Å; T5-D8 PolarHBondContact O-N 3.42Å |
| 9 | P | 36.9 | Very low | 30.7 | Very low | 99 Ų | 99 | 116.2 Ų | 116.2 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 146.4 | 178.2 | 24.4 | -32.6 | 0 | 0 | 0 | 110.1 | ||
| 10 | P | 35.7 | Very low | 30.5 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 133.8 | 178.8 | 19.5 | -30.6 | 0 | 0 | 0 | 109.6 | T12 | P10-T12 PolarHBondContact O-N 3.04Å; P10-T12 VanDerWaalsContact O-N 3.16Å |
| 11 | P | 35.6 | Very low | 30.4 | Very low | 65 Ų | 65 | 121.7 Ų | 121.7 | 42% | 0.422 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 125.8 | -176.9 | 21.2 | -31.2 | 0 | 0 | 0 | 109.8 | I16 | P11-I16 HydrophobicContact CB-CG1 4.37Å; P11-I16 HydrophobicContact CG-CD1 4.44Å |
| 12 | T | 34.7 | Very low | 30.6 | Very low | 91 Ų | 91 | 113.9 Ų | 113.9 | 56% | 0.558 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 148.7 | 175.2 | 51 | 0 | 0 | 0 | 0 | 110.5 | P10 D14 R15 I16 | P10-T12 PolarHBondContact O-N 3.04Å; P10-T12 VanDerWaalsContact O-N 3.16Å; T12-D14 PolarHBondContact O-N 3.09Å; T12-R15 WeakPolarHBondContact O-CB 3.46Å; T12-R15 PolarHBondContact O-N 2.77Å; T12-I16 PolarHBondContact O-N 3.46Å |
| 13 | M | 32.3 | Very low | 30.9 | Very low | 83 Ų | 83 | 113.7 Ų | 113.7 | 41% | 0.409 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -50.7 | -30.5 | 179.5 | -83.3 | -68 | -76.1 | 0 | 0 | 113.5 | I16 K17 T39 | M13-I16 PolarHBondContact O-N 2.6Å; M13-K17 WeakPolarHBondContact O-CG 3.5Å; M13-K17 PolarHBondContact O-N 2.73Å; M13-T39 WeakPolarHBondContact CE-O 3.22Å |
| 14 | D | 33.5 | Very low | 31.1 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.9 | -30.2 | 178.3 | -69.9 | -26.4 | 0 | 0 | 0 | 113.5 | T12 K17 | T12-D14 PolarHBondContact O-N 3.09Å; D14-K17 IonicContact OD1-NZ 3.84Å |
| 15 | R | 35.4 | Very low | 31.1 | Very low | 181 Ų | 181 | 113.2 Ų | 113.2 | 68% | 0.683 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.6 | -30.3 | 173.3 | -88.7 | -176 | 161.1 | -175.9 | -3.4 | 112.6 | T12 | T12-R15 WeakPolarHBondContact O-CB 3.46Å; T12-R15 PolarHBondContact O-N 2.77Å |
| 16 | I | 34.6 | Very low | 31.1 | Very low | 65 Ų | 65 | 112.2 Ų | 112.2 | 33% | 0.333 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -75.1 | -40.1 | 179.3 | -60.1 | 174.1 | 0 | 0 | 0 | 110.5 | P11 T12 M13 Q18 R19 | P11-I16 HydrophobicContact CB-CG1 4.37Å; P11-I16 HydrophobicContact CG-CD1 4.44Å; T12-I16 PolarHBondContact O-N 3.46Å; M13-I16 PolarHBondContact O-N 2.6Å; I16-Q18 VanDerWaalsContact C-N 3.26Å; I16-Q18 PolarHBondContact O-N 3.33Å; I16-R19 PolarHBondContact O-N 2.91Å |
| 17 | K | 30.4 | Very low | 31 | Very low | 141 Ų | 141 | 110.8 Ų | 110.8 | 61% | 0.613 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.7 | -25.1 | 179.4 | -73 | 172.8 | -174.1 | 169.5 | 0 | 114.4 | M13 D14 | M13-K17 WeakPolarHBondContact O-CG 3.5Å; M13-K17 PolarHBondContact O-N 2.73Å; D14-K17 IonicContact OD1-NZ 3.84Å |
| 18 | Q | 30.3 | Very low | 30.9 | Very low | 163 Ų | 163 | 107.2 Ų | 107.2 | 76% | 0.762 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -16.7 | -179.9 | -73.3 | -176.3 | -7.3 | 0 | 0 | 113.6 | I16 R20 | I16-Q18 VanDerWaalsContact C-N 3.26Å; I16-Q18 PolarHBondContact O-N 3.33Å; Q18-R20 PolarHBondContact O-N 2.83Å |
| 19 | R | 30.8 | Very low | 30.5 | Very low | 128 Ų | 128 | 114.7 Ų | 114.7 | 48% | 0.483 | 59% | 0.588 | S | S | . | * | trans | -91.2 | 94.2 | 177.5 | -66.9 | -164.9 | -179.2 | -157.3 | 3 | 110 | I16 S21 L22 | I16-R19 PolarHBondContact O-N 2.91Å; R19-S21 PolarHBondContact O-N 2.88Å; R19-S21 VanDerWaalsContact O-N 3.09Å; R19-L22 HydrophobicContact CB-CD1 3.77Å; R19-L22 HydrophobicContact CB-CG 4.44Å | ||
| 20 | R | 27.1 | Very low | 30 | Very low | 255 Ų | 255 | 113.7 Ų | 113.7 | 96% | 0.962 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -64.5 | -5.8 | -177.5 | -75.6 | -174.1 | 173.5 | -164.7 | -0.5 | 115.6 | Q18 | Q18-R20 PolarHBondContact O-N 2.83Š|
| 21 | S | 28.7 | Very low | 29.5 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 66% | 0.657 | 59% | 0.589 | S | S | * | * | trans | -158.3 | 112.4 | 177.2 | 162.7 | 0 | 0 | 0 | 0 | 105.6 | R19 | R19-S21 PolarHBondContact O-N 2.88Å; R19-S21 VanDerWaalsContact O-N 3.09Å | ||
| 22 | L | 27.4 | Very low | 29.1 | Very low | 63 Ų | 63 | 118.7 Ų | 118.7 | 33% | 0.33 | 59% | 0.586 | S | S | . | * | trans | -102.6 | 100 | 167.3 | -102.7 | 120.6 | 0 | 0 | 0 | 106 | R19 V24 L27 | R19-L22 HydrophobicContact CB-CD1 3.77Å; R19-L22 HydrophobicContact CB-CG 4.44Å; L22-V24 PolarHBondContact O-N 2.94Å; L22-L27 HydrophobicContact CD2-CD1 4.11Å; L22-L27 HydrophobicContact CD2-CG 4.09Å | ||
| 23 | D | 28.5 | Very low | 28.9 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | trans | -53.1 | 122.2 | 166.5 | -151.2 | -23.1 | 0 | 0 | 0 | 107.8 | G25 S26 | D23-G25 PolarHBondContact O-N 3.46Å; D23-S26 WeakPolarHBondContact O-CA 3.27Å; D23-S26 WeakPolarHBondContact O-CB 3.12Å; D23-S26 PolarHBondContact O-N 3.27Å | ||
| 24 | V | 28.2 | Very low | 28.7 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 70% | 0.703 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -60.7 | -22.4 | -169.5 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | L22 S26 | L22-V24 PolarHBondContact O-N 2.94Å; V24-S26 VanDerWaalsContact C-N 3.28Å; V24-S26 PolarHBondContact O-N 3.43Å |
| 25 | G | 26 | Very low | 28.6 | Very low | 80 Ų | 80 | 120.8 Ų | 120.8 | 83% | 0.825 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -75.2 | -5.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D23 | D23-G25 PolarHBondContact O-N 3.46Š|
| 26 | S | 25.8 | Very low | 28.3 | Very low | 71 Ų | 71 | 115.8 Ų | 115.8 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -106 | 0.7 | -178.1 | -60.6 | 0 | 0 | 0 | 0 | 114 | D23 V24 Y28 | D23-S26 WeakPolarHBondContact O-CA 3.27Å; D23-S26 WeakPolarHBondContact O-CB 3.12Å; D23-S26 PolarHBondContact O-N 3.27Å; V24-S26 VanDerWaalsContact C-N 3.28Å; V24-S26 PolarHBondContact O-N 3.43Å; S26-Y28 PolarHBondContact O-N 2.95Å |
| 27 | L | 26.1 | Very low | 28.1 | Very low | 58 Ų | 58 | 115 Ų | 115 | 30% | 0.304 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -75.3 | 75.4 | 170.9 | -108.5 | 138.7 | 0 | 0 | 0 | 109.3 | L22 L38 | L22-L27 HydrophobicContact CD2-CD1 4.11Å; L22-L27 HydrophobicContact CD2-CG 4.09Å; L27-L38 HydrophobicContact CD1-CD1 4.29Å; L27-L38 HydrophobicContact CD2-CD1 4.37Å; L27-L38 HydrophobicContact CD2-CD2 4.34Å |
| 28 | Y | 27.9 | Very low | 28.1 | Very low | 81 Ų | 81 | 110.6 Ų | 110.6 | 32% | 0.318 | 57% | 0.57 | S | S | . | * | trans | 36 | 103.6 | 161 | -56.2 | -84.8 | 0 | 0 | 0 | 116.4 | L4 S26 V30 | L4-Y28 HydrophobicContact CD1-CD1 3.73Å; L4-Y28 HydrophobicContact CD1-CE1 3.31Å; L4-Y28 HydrophobicContact CG-CD1 4.48Å; L4-Y28 HydrophobicContact CG-CE1 4.11Å; S26-Y28 PolarHBondContact O-N 2.95Å; Y28-V30 PolarHBondContact O-N 3.17Å | ||
| 29 | R | 25.2 | Very low | 28.1 | Very low | 235 Ų | 235 | 108 Ų | 108 | 89% | 0.887 | 57% | 0.565 | S | S | * | * | trans | -59.6 | 71.3 | 151.3 | -151.3 | -177.6 | -154.2 | 179.7 | 6.2 | 108.8 | R31 | R29-R31 PolarHBondContact O-N 2.93Š| ||
| 30 | V | 26.9 | Very low | 27.9 | Very low | 78 Ų | 78 | 103.7 Ų | 103.7 | 47% | 0.473 | 56% | 0.561 | S | S | . | * | trans | -78 | 97.5 | 170.8 | -174.6 | 0 | 0 | 0 | 0 | 105.8 | Y28 G32 | Y28-V30 PolarHBondContact O-N 3.17Å; V30-G32 PolarHBondContact O-N 2.69Å | ||
| 31 | R | 25.1 | Very low | 27.9 | Very low | 249 Ų | 249 | 96.8 Ų | 96.8 | 94% | 0.94 | 54% | 0.543 | S | S | * | . | trans | -58.8 | 101.8 | 163.7 | -93.2 | -175.5 | 164.8 | 179.9 | -4 | 107.5 | R29 | R29-R31 PolarHBondContact O-N 2.93Š| ||
| 32 | G | 26.6 | Very low | 27.7 | Very low | 35 Ų | 35 | 102.5 Ų | 102.5 | 36% | 0.361 | 55% | 0.55 | S | S | . | * | S | Bend | trans | 131.5 | 103.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114 | V30 H34 | V30-G32 PolarHBondContact O-N 2.69Å; G32-H34 PolarHBondContact O-N 3.28Å; G32-H34 PolarHBondContact O-ND1 2.86Å; G32-H34 VanDerWaalsContact O-ND1 3.09Å |
| 33 | T | 30 | Very low | 27.7 | Very low | 135 Ų | 135 | 102.7 Ų | 102.7 | 83% | 0.828 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 38.8 | 5.9 | 145.6 | 51.5 | 0 | 0 | 0 | 0 | 122.9 | ||
| 34 | H | 28.8 | Very low | 27.6 | Very low | 144 Ų | 144 | 106.8 Ų | 106.8 | 67% | 0.667 | 56% | 0.557 | S | S | * | * | trans | -123.5 | 111.8 | -172.9 | -57.6 | 91.7 | 0 | 0 | 0 | 111.6 | G32 | G32-H34 PolarHBondContact O-N 3.28Å; G32-H34 PolarHBondContact O-ND1 2.86Å; G32-H34 VanDerWaalsContact O-ND1 3.09Å | ||
| 35 | P | 31.6 | Very low | 27.5 | Very low | 47 Ų | 47 | 108.7 Ų | 108.7 | 31% | 0.305 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -68 | 132.1 | 171.6 | 28.9 | -33.9 | 0 | 0 | 0 | 110.3 | Y69 | P35-Y69 HydrophobicContact CB-CG 4.31Š|
| 36 | V | 29.2 | Very low | 27.6 | Very low | 77 Ų | 77 | 106.3 Ų | 106.3 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 119 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 37 | C | 29.9 | Very low | 27.6 | Very low | 49 Ų | 49 | 107.4 Ų | 107.4 | 33% | 0.331 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -76 | 119.5 | 175.7 | -62 | 0 | 0 | 0 | 0 | 111.5 | T39 C71 | C37-T39 PolarHBondContact O-N 2.91Å; C37-C71 WeakPolarHBondContact SG-CB 3.35Å; C37-C71 VanDerWaalsContact SG-SG 3.7Å |
| 38 | L | 29.9 | Very low | 27.8 | Very low | 48 Ų | 48 | 107.8 Ų | 107.8 | 25% | 0.251 | 54% | 0.544 | S | S | . | . | trans | -87.1 | 91.1 | 166.2 | -68.4 | 174.1 | 0 | 0 | 0 | 110.1 | L27 G40 I43 | L27-L38 HydrophobicContact CD1-CD1 4.29Å; L27-L38 HydrophobicContact CD2-CD1 4.37Å; L27-L38 HydrophobicContact CD2-CD2 4.34Å; L38-G40 PolarHBondContact O-N 2.72Å; L38-I43 HydrophobicContact CD1-CD1 4.21Å | ||
| 39 | T | 30.2 | Very low | 27.8 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 66% | 0.663 | 57% | 0.571 | S | S | * | * | trans | -83.7 | 85.4 | 168.6 | 56.2 | 0 | 0 | 0 | 0 | 109.3 | M13 C37 | M13-T39 WeakPolarHBondContact CE-O 3.22Å; C37-T39 PolarHBondContact O-N 2.91Å | ||
| 40 | G | 27 | Very low | 28.1 | Very low | 37 Ų | 37 | 101.7 Ų | 101.7 | 38% | 0.381 | 54% | 0.537 | S | S | . | . | trans | -174.9 | 117 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L38 R42 | L38-G40 PolarHBondContact O-N 2.72Å; G40-R42 PolarHBondContact O-N 3.09Å | ||
| 41 | N | 26 | Very low | 28.2 | Very low | 110 Ų | 110 | 107 Ų | 107 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -60.1 | 95.8 | 166.5 | -69.8 | -27.7 | 0 | 0 | 0 | 109.7 | A50 | N41-A50 PolarHBondContact OD1-O 3.07Å; N41-A50 VanDerWaalsContact OD1-O 3.1Å |
| 42 | R | 25.7 | Very low | 28.5 | Very low | 214 Ų | 214 | 100.5 Ų | 100.5 | 81% | 0.808 | 54% | 0.538 | S | S | * | . | trans | 150.1 | 99.1 | 150.5 | -84.7 | 167.2 | -175.7 | 178.8 | 3.5 | 109.5 | G40 | G40-R42 PolarHBondContact O-N 3.09Š| ||
| 43 | I | 27.7 | Very low | 28.8 | Very low | 67 Ų | 67 | 102.8 Ų | 102.8 | 34% | 0.344 | 56% | 0.561 | S | S | . | * | trans | -103.1 | 98.8 | 152.1 | -56.9 | 178.6 | 0 | 0 | 0 | 104.6 | L38 F48 | L38-I43 HydrophobicContact CD1-CD1 4.21Å; I43-F48 HydrophobicContact CD1-CB 4.31Å | ||
| 44 | R | 26 | Very low | 28.9 | Very low | 203 Ų | 203 | 99 Ų | 99 | 77% | 0.766 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 130 | 165.4 | -85.2 | 179.8 | 175.2 | 172.6 | -4 | 106.2 | ||
| 45 | D | 25.4 | Very low | 29.2 | Very low | 156 Ų | 156 | 94.1 Ų | 94.1 | 83% | 0.834 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | 26.3 | 173.1 | -45.3 | -30.8 | 0 | 0 | 0 | 118.6 | ||
| 46 | G | 27.8 | Very low | 29.3 | Very low | 30 Ų | 30 | 93.1 Ų | 93.1 | 31% | 0.309 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -165.4 | 151 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F48 | G46-F48 PolarHBondContact O-N 2.97Š|
| 47 | P | 27.8 | Very low | 29.6 | Very low | 94 Ų | 94 | 91.1 Ų | 91.1 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -79.2 | 48.7 | -163.8 | 34.6 | -37.4 | 0 | 0 | 0 | 114.2 | ||
| 48 | F | 29 | Very low | 29.7 | Very low | 66 Ų | 66 | 91.9 Ų | 91.9 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | trans | -107.2 | 93.4 | 177.6 | -62.1 | -78.3 | 0 | 0 | 0 | 110.6 | I43 G46 A50 T86 | I43-F48 HydrophobicContact CD1-CB 4.31Å; G46-F48 PolarHBondContact O-N 2.97Å; F48-A50 PolarHBondContact O-N 3.46Å; F48-T86 VanDerWaalsContact CE1-O 3.26Å; F48-T86 WeakPolarHBondContact CE1-O 3.49Å | ||
| 49 | L | 27.5 | Very low | 29.8 | Very low | 168 Ų | 168 | 94.8 Ų | 94.8 | 88% | 0.88 | 52% | 0.518 | S | S | * | . | trans | -80.8 | 85.6 | 165.8 | -77.1 | 163 | 0 | 0 | 0 | 109 | R51 | L49-R51 PolarHBondContact O-N 3.49Š| ||
| 50 | A | 32.4 | Very low | 29.8 | Very low | 21 Ų | 21 | 96 Ų | 96 | 17% | 0.174 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 118.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | N41 F48 V56 | N41-A50 PolarHBondContact OD1-O 3.07Å; N41-A50 VanDerWaalsContact OD1-O 3.1Å; F48-A50 PolarHBondContact O-N 3.46Å; A50-V56 HydrophobicContact CB-CG2 3.81Å |
| 51 | R | 29.4 | Very low | 29.9 | Very low | 188 Ų | 188 | 96.4 Ų | 96.4 | 71% | 0.709 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 155.6 | 164.8 | -64.1 | -174.8 | 175.1 | -170.6 | -2.1 | 109 | L49 G53 N54 | L49-R51 PolarHBondContact O-N 3.49Å; R51-G53 PolarHBondContact O-N 3.16Å; R51-G53 VanDerWaalsContact O-N 3.14Å; R51-N54 WeakPolarHBondContact CB-ND2 3.38Å; R51-N54 PolarHBondContact N-ND2 3.22Å; R51-N54 VanDerWaalsContact N-ND2 3.15Å; R51-N54 VanDerWaalsContact O-CB 3.29Å; R51-N54 WeakPolarHBondContact O-CB 3.4Å; R51-N54 PolarHBondContact O-N 2.91Å |
| 52 | P | 31.4 | Very low | 30 | Very low | 114 Ų | 114 | 98.4 Ų | 98.4 | 74% | 0.74 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 122.8 | 165.4 | -22.5 | 32.2 | 0 | 0 | 0 | 109.6 | ||
| 53 | G | 31.9 | Very low | 30 | Very low | 82 Ų | 82 | 98.1 Ų | 98.1 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | -3.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R51 | R51-G53 PolarHBondContact O-N 3.16Å; R51-G53 VanDerWaalsContact O-N 3.14Å |
| 54 | N | 33.2 | Very low | 30 | Very low | 55 Ų | 55 | 102.2 Ų | 102.2 | 29% | 0.294 | 55% | 0.546 | S | S | . | . | trans | -93.4 | 119 | 174.9 | -67.8 | -2.1 | 0 | 0 | 0 | 110.5 | R51 | R51-N54 WeakPolarHBondContact CB-ND2 3.38Å; R51-N54 PolarHBondContact N-ND2 3.22Å; R51-N54 VanDerWaalsContact N-ND2 3.15Å; R51-N54 VanDerWaalsContact O-CB 3.29Å; R51-N54 WeakPolarHBondContact O-CB 3.4Å; R51-N54 PolarHBondContact O-N 2.91Å | ||
| 55 | C | 34.8 | Very low | 30.1 | Very low | 42 Ų | 42 | 96.5 Ų | 96.5 | 28% | 0.284 | 53% | 0.534 | S | S | . | . | trans | -75.3 | 132.5 | 167.3 | -63.6 | 0 | 0 | 0 | 0 | 109.4 | C71 L83 | C55-C71 HydrophobicContact CB-CB 3.61Å; C55-L83 HydrophobicContact CB-CD2 4.42Å | ||
| 56 | V | 33.8 | Very low | 30.3 | Very low | 26 Ų | 26 | 91.5 Ų | 91.5 | 16% | 0.158 | 51% | 0.509 | C | S | . | . | trans | -110.9 | 117.8 | 172.4 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | A50 | A50-V56 HydrophobicContact CB-CG2 3.81Š| ||
| 57 | C | 34.7 | Very low | 30.6 | Very low | 35 Ų | 35 | 94.4 Ų | 94.4 | 24% | 0.236 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 125.5 | 177.6 | -47.3 | 0 | 0 | 0 | 0 | 108.9 | Y69 | C57-Y69 PolarHBondContact SG-O 3.32Š|
| 58 | A | 32.8 | Very low | 30.8 | Very low | 65 Ų | 65 | 93.5 Ų | 93.5 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 142.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 59 | Y | 30.8 | Very low | 31 | Very low | 110 Ų | 110 | 95.7 Ų | 95.7 | 43% | 0.431 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 126.5 | -179.7 | -66.9 | -101.4 | 0 | 0 | 0 | 109.5 | V66 M91 | Y59-V66 HydrophobicContact CE1-CG1 4Å; Y59-V66 HydrophobicContact CE1-CG2 4.32Å; Y59-M91 HydrophobicContact CE1-CE 3.92Å |
| 60 | D | 31.7 | Very low | 31.1 | Very low | 132 Ų | 132 | 90.1 Ų | 90.1 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | trans | -119.5 | 132.4 | 153.1 | -171.4 | 9.6 | 0 | 0 | 0 | 106.1 | ||||
| 61 | G | 29 | Very low | 31 | Very low | 47 Ų | 47 | 89.2 Ų | 89.2 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | trans | 163.2 | 94.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R63 | G61-R63 PolarHBondContact O-N 3.16Š| ||
| 62 | D | 26.8 | Very low | 31 | Very low | 151 Ų | 151 | 85.8 Ų | 85.8 | 81% | 0.807 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -33.7 | 116.2 | 151.6 | -78.7 | -46.6 | 0 | 0 | 0 | 110.3 | ||
| 63 | R | 27.2 | Very low | 30.9 | Very low | 208 Ų | 208 | 82.1 Ų | 82.1 | 79% | 0.785 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 34 | 103.8 | 160.7 | -52 | -174.9 | -170.7 | 173.7 | 3.1 | 114.8 | G61 | G61-R63 PolarHBondContact O-N 3.16Š|
| 64 | W | 26.1 | Very low | 30.8 | Very low | 154 Ų | 154 | 85.9 Ų | 85.9 | 58% | 0.583 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 98.7 | 4.5 | 152.2 | -44.4 | 111.7 | 0 | 0 | 0 | 119.9 | T92 | W64-T92 HydrophobicContact CE3-CG2 3.84Å; W64-T92 HydrophobicContact CH2-CG2 3.83Å; W64-T92 HydrophobicContact CZ3-CG2 3.24Å; W64-T92 WeakPolarHBondContact CZ3-OG1 3.26Å |
| 65 | T | 28.6 | Very low | 30.9 | Very low | 83 Ų | 83 | 86.7 Ų | 86.7 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | trans | -123.3 | 124.1 | -179.8 | -44.4 | 0 | 0 | 0 | 0 | 112.7 | H67 | T65-H67 WeakPolarHBondContact CG2-NE2 3.23Š| ||
| 66 | V | 30.1 | Very low | 31 | Very low | 51 Ų | 51 | 87 Ų | 87 | 31% | 0.309 | 48% | 0.475 | S | S | . | . | trans | -87.2 | 108 | 170.8 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | Y59 M91 | Y59-V66 HydrophobicContact CE1-CG1 4Å; Y59-V66 HydrophobicContact CE1-CG2 4.32Å; V66-M91 HydrophobicContact CG2-CE 3.48Å; V66-M91 VanDerWaalsContact CG2-CE 3.48Å; V66-M91 HydrophobicContact CG2-SD 3.37Å; V66-M91 WeakPolarHBondContact CG2-SD 3.4Å | ||
| 67 | H | 33.4 | Very low | 31.2 | Very low | 91 Ų | 91 | 87.3 Ų | 87.3 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | trans | -94.8 | 106 | 167.7 | -70.1 | -88.2 | 0 | 0 | 0 | 109.6 | T65 Y69 | T65-H67 WeakPolarHBondContact CG2-NE2 3.23Å; H67-Y69 HydrophobicContact CB-CD2 4.05Å; H67-Y69 HydrophobicContact CB-CE2 3.39Å; H67-Y69 PolarHBondContact O-N 2.74Å | ||
| 68 | A | 33.2 | Very low | 31.2 | Very low | 75 Ų | 75 | 90.1 Ų | 90.1 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | trans | -82.9 | 98.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 69 | Y | 31.8 | Very low | 31.4 | Very low | 111 Ų | 111 | 93.2 Ų | 93.2 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | trans | -80.9 | 124 | 168 | -64 | -80.4 | 0 | 0 | 0 | 108.5 | P35 C57 H67 C71 | P35-Y69 HydrophobicContact CB-CG 4.31Å; C57-Y69 PolarHBondContact SG-O 3.32Å; H67-Y69 HydrophobicContact CB-CD2 4.05Å; H67-Y69 HydrophobicContact CB-CE2 3.39Å; H67-Y69 PolarHBondContact O-N 2.74Å; Y69-C71 VanDerWaalsContact C-N 3.28Å; Y69-C71 PolarHBondContact O-N 3.33Å | ||
| 70 | T | 29.8 | Very low | 31.7 | Very low | 52 Ų | 52 | 90.7 Ų | 90.7 | 32% | 0.319 | 52% | 0.518 | S | S | . | . | trans | -71 | 99.1 | 163.2 | 52.3 | 0 | 0 | 0 | 0 | 107.5 | D72 I106 F116 | T70-D72 PolarHBondContact O-N 3.16Å; T70-I106 HydrophobicContact CG2-CD1 3.17Å; T70-I106 HydrophobicContact CG2-CG1 4.34Å; T70-F116 HydrophobicContact CG2-CE2 4.12Å; T70-F116 HydrophobicContact CG2-CZ 4.23Å | ||
| 71 | C | 30.1 | Very low | 31.9 | Very low | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.007 | 50% | 0.497 | C | S | . | . | trans | -36 | 127.2 | 153.8 | -71.7 | 0 | 0 | 0 | 0 | 107.6 | C37 C55 Y69 L73 | C37-C71 WeakPolarHBondContact SG-CB 3.35Å; C37-C71 VanDerWaalsContact SG-SG 3.7Å; C55-C71 HydrophobicContact CB-CB 3.61Å; Y69-C71 VanDerWaalsContact C-N 3.28Å; Y69-C71 PolarHBondContact O-N 3.33Å; C71-L73 PolarHBondContact O-N 2.92Å | ||
| 72 | D | 30.2 | Very low | 32.4 | Very low | 116 Ų | 116 | 88.1 Ų | 88.1 | 62% | 0.62 | 49% | 0.494 | S | S | * | . | trans | -39.1 | 111.4 | 178.6 | -75.8 | -47.9 | 0 | 0 | 0 | 108.8 | T70 I74 | T70-D72 PolarHBondContact O-N 3.16Å; D72-I74 HydrophobicContact CB-CG1 4.13Å; D72-I74 PolarHBondContact O-N 2.88Å | ||
| 73 | L | 29.3 | Very low | 32.9 | Very low | 38 Ų | 38 | 83 Ų | 83 | 20% | 0.199 | 47% | 0.466 | C | S | . | . | trans | -70.5 | 77.4 | 174.2 | -79.1 | 165.1 | 0 | 0 | 0 | 105.7 | C71 A75 P77 F114 | C71-L73 PolarHBondContact O-N 2.92Å; L73-A75 PolarHBondContact O-N 2.83Å; L73-A75 VanDerWaalsContact O-N 3.09Å; L73-P77 HydrophobicContact CD1-CG 4.36Å; L73-P77 HydrophobicContact CD2-CG 3.79Å; L73-F114 HydrophobicContact CD1-CG 4.4Å | ||
| 74 | I | 30.2 | Very low | 33.3 | Very low | 161 Ų | 161 | 76.7 Ų | 76.7 | 83% | 0.826 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -59.1 | -18.2 | 175.1 | -65.4 | 167.4 | 0 | 0 | 0 | 109.5 | D72 | D72-I74 HydrophobicContact CB-CG1 4.13Å; D72-I74 PolarHBondContact O-N 2.88Å |
| 75 | A | 33.9 | Very low | 33.9 | Very low | 72 Ų | 72 | 71.2 Ų | 71.2 | 60% | 0.595 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -138.4 | 152.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L73 | L73-A75 PolarHBondContact O-N 2.83Å; L73-A75 VanDerWaalsContact O-N 3.09Å |
| 76 | A | 37.2 | Very low | 34.2 | Very low | 47 Ų | 47 | 69.7 Ų | 69.7 | 39% | 0.388 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 129.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R108 F114 | A76-R108 VanDerWaalsContact CB-NH1 3.29Å; A76-F114 HydrophobicContact CB-CZ 4.02Å |
| 77 | P | 37.5 | Very low | 34.7 | Very low | 33 Ų | 33 | 67.8 Ų | 67.8 | 21% | 0.214 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 136.7 | 160 | -8.4 | 19.4 | 0 | 0 | 0 | 107.4 | L73 A81 F114 | L73-P77 HydrophobicContact CD1-CG 4.36Å; L73-P77 HydrophobicContact CD2-CG 3.79Å; P77-A81 HydrophobicContact CB-CB 3.28Å; P77-F114 HydrophobicContact CG-CD1 4.1Å; P77-F114 HydrophobicContact CG-CE1 3.72Å |
| 78 | P | 35.3 | Very low | 34.6 | Very low | 94 Ų | 94 | 66 Ų | 66 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 151.4 | 173.2 | 22.4 | -31.7 | 0 | 0 | 0 | 109.9 | G80 A81 | P78-G80 PolarHBondContact O-N 2.81Å; P78-G80 VanDerWaalsContact O-N 3.16Å; P78-A81 HydrophobicContact CG-CB 4.14Å; P78-A81 VanDerWaalsContact O-CB 3.23Å; P78-A81 WeakPolarHBondContact O-CB 3.45Å; P78-A81 PolarHBondContact O-N 2.84Å |
| 79 | P | 38.1 | Very low | 34.6 | Very low | 131 Ų | 131 | 69 Ų | 69 | 85% | 0.851 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 125.6 | 172 | -26.7 | 34.4 | 0 | 0 | 0 | 110.5 | ||
| 80 | G | 36.2 | Very low | 34.5 | Very low | 56 Ų | 56 | 65.6 Ų | 65.6 | 58% | 0.577 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 6.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P78 H82 | P78-G80 PolarHBondContact O-N 2.81Å; P78-G80 VanDerWaalsContact O-N 3.16Å; G80-H82 PolarHBondContact O-CD2 2.64Å; G80-H82 VanDerWaalsContact O-CD2 3.23Å; G80-H82 PolarHBondContact O-NE2 3.03Å |
| 81 | A | 36.1 | Very low | 34.8 | Very low | 33 Ų | 33 | 64.7 Ų | 64.7 | 27% | 0.273 | 41% | 0.408 | S | S | . | . | trans | -65.1 | 139.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P77 P78 | P77-A81 HydrophobicContact CB-CB 3.28Å; P78-A81 HydrophobicContact CG-CB 4.14Å; P78-A81 VanDerWaalsContact O-CB 3.23Å; P78-A81 WeakPolarHBondContact O-CB 3.45Å; P78-A81 PolarHBondContact O-N 2.84Å | ||
| 82 | H | 38.7 | Very low | 34.9 | Very low | 93 Ų | 93 | 66.1 Ų | 66.1 | 43% | 0.431 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.9 | 176.5 | -57.6 | -72.6 | 0 | 0 | 0 | 108.4 | G80 I84 L138 | G80-H82 PolarHBondContact O-CD2 2.64Å; G80-H82 VanDerWaalsContact O-CD2 3.23Å; G80-H82 PolarHBondContact O-NE2 3.03Å; H82-I84 HydrophobicContact CB-CG1 4.29Å; H82-I84 PolarHBondContact O-N 2.9Å; H82-L138 WeakPolarHBondContact CE1-CD2 3.19Å; H82-L138 VanDerWaalsContact ND1-CD2 3.29Å; H82-L138 WeakPolarHBondContact ND1-CD2 2.93Å |
| 83 | L | 38 | Very low | 34.8 | Very low | 42 Ų | 42 | 62.3 Ų | 62.3 | 22% | 0.22 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 118 | 160.3 | -98.9 | 143.8 | 0 | 0 | 0 | 107 | C55 F116 V135 L137 | C55-L83 HydrophobicContact CB-CD2 4.42Å; L83-F116 HydrophobicContact CD1-CE1 4.02Å; L83-F116 HydrophobicContact CD1-CZ 3.8Å; L83-V135 VanDerWaalsContact O-O 3.07Å; L83-L137 HydrophobicContact CB-CB 3.93Å; L83-L137 HydrophobicContact CB-CD1 3.74Å; L83-L137 HydrophobicContact CB-CG 4.16Å; L83-L137 HydrophobicContact CD1-CD1 4.12Å; L83-L137 HydrophobicContact CG-CD1 4.46Å; L83-L137 PolarHBondContact O-N 3.09Å; L83-L137 VanDerWaalsContact O-N 3.16Å |
| 84 | I | 36.2 | Very low | 35 | Very low | 76 Ų | 76 | 66.4 Ų | 66.4 | 39% | 0.39 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 103.2 | 174.3 | -64 | 174.1 | 0 | 0 | 0 | 106.3 | H82 T86 K134 V135 | H82-I84 HydrophobicContact CB-CG1 4.29Å; H82-I84 PolarHBondContact O-N 2.9Å; I84-T86 HydrophobicContact CG2-CG2 4.23Å; I84-K134 HydrophobicContact CG2-CD 4.29Å; I84-K134 HydrophobicContact CG2-CG 3.81Å; I84-V135 WeakPolarHBondContact CA-O 3.49Å |
| 85 | A | 37.7 | Very low | 35 | Very low | 40 Ų | 40 | 60 Ų | 60 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 110.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | V135 | A85-V135 HydrophobicContact CB-CB 4.14Å; A85-V135 HydrophobicContact CB-CG2 4.43Å; A85-V135 PolarHBondContact N-O 2.82Å; A85-V135 PolarHBondContact O-N 3.23Å |
| 86 | T | 35.9 | Very low | 34.8 | Very low | 50 Ų | 50 | 57.4 Ų | 57.4 | 31% | 0.307 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 138.9 | 163.9 | 41.9 | 0 | 0 | 0 | 0 | 108.2 | F48 I84 G133 | F48-T86 VanDerWaalsContact CE1-O 3.26Å; F48-T86 WeakPolarHBondContact CE1-O 3.49Å; I84-T86 HydrophobicContact CG2-CG2 4.23Å; T86-G133 WeakPolarHBondContact CA-O 3.38Å |
| 87 | F | 39.4 | Very low | 34.4 | Very low | 12 Ų | 12 | 59.8 Ų | 59.8 | 5% | 0.053 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138 | 172.2 | 56.3 | -89.9 | 0 | 0 | 0 | 109.6 | M91 V121 L130 S132 G133 V135 | F87-M91 HydrophobicContact CB-CE 3.56Å; F87-M91 HydrophobicContact CB-SD 4.03Å; F87-M91 HydrophobicContact CD1-SD 4.4Å; F87-M91 HydrophobicContact CD2-CE 4.23Å; F87-M91 HydrophobicContact CD2-CG 4.35Å; F87-M91 HydrophobicContact CD2-SD 3.63Å; F87-M91 HydrophobicContact CE2-SD 4.17Å; F87-M91 HydrophobicContact CG-CE 4Å; F87-M91 HydrophobicContact CG-SD 3.76Å; F87-V121 HydrophobicContact CE1-CG1 4.12Å; F87-V121 HydrophobicContact CZ-CG1 4.07Å; F87-L130 HydrophobicContact CE2-CB 3.75Å; F87-L130 HydrophobicContact CE2-CD1 4.4Å; F87-L130 HydrophobicContact CZ-CB 4.21Å; F87-L130 HydrophobicContact CZ-CD1 4.17Å; F87-S132 WeakPolarHBondContact O-CA 3.26Å; F87-G133 VanDerWaalsContact CE1-C 3.4Å; F87-G133 PolarHBondContact N-O 2.79Å; F87-G133 VanDerWaalsContact N-O 3.17Å; F87-G133 PolarHBondContact O-N 3.09Å; F87-V135 HydrophobicContact CD1-CG2 4.21Å; F87-V135 HydrophobicContact CE1-CG2 4.06Å |
| 88 | S | 33.1 | Very low | 34.2 | Very low | 54 Ų | 54 | 60.2 Ų | 60.2 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.9 | 170.9 | 53.2 | 0 | 0 | 0 | 0 | 107 | ||
| 89 | N | 32.6 | Very low | 34 | Very low | 136 Ų | 136 | 62.6 Ų | 62.6 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 102.4 | 106.1 | 173.3 | -53.6 | -15.2 | 0 | 0 | 0 | 116 | M91 | N89-M91 VanDerWaalsContact C-N 3.34Å; N89-M91 PolarHBondContact O-N 3.47Å |
| 90 | G | 30 | Very low | 33.7 | Very low | 40 Ų | 40 | 64.2 Ų | 64.2 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.7 | 13.6 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | T92 | G90-T92 PolarHBondContact O-N 3.41Å |
| 91 | M | 35.9 | Very low | 33.4 | Very low | 33 Ų | 33 | 64.6 Ų | 64.6 | 16% | 0.163 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 122.9 | 179.4 | -66.5 | -177.7 | -174.9 | 0 | 0 | 109.8 | Y59 V66 F87 N89 L130 | Y59-M91 HydrophobicContact CE1-CE 3.92Å; V66-M91 HydrophobicContact CG2-CE 3.48Å; V66-M91 VanDerWaalsContact CG2-CE 3.48Å; V66-M91 HydrophobicContact CG2-SD 3.37Å; V66-M91 WeakPolarHBondContact CG2-SD 3.4Å; F87-M91 HydrophobicContact CB-CE 3.56Å; F87-M91 HydrophobicContact CB-SD 4.03Å; F87-M91 HydrophobicContact CD1-SD 4.4Å; F87-M91 HydrophobicContact CD2-CE 4.23Å; F87-M91 HydrophobicContact CD2-CG 4.35Å; F87-M91 HydrophobicContact CD2-SD 3.63Å; F87-M91 HydrophobicContact CE2-SD 4.17Å; F87-M91 HydrophobicContact CG-CE 4Å; F87-M91 HydrophobicContact CG-SD 3.76Å; N89-M91 VanDerWaalsContact C-N 3.34Å; N89-M91 PolarHBondContact O-N 3.47Å; M91-L130 HydrophobicContact CB-CB 4.48Å; M91-L130 PolarHBondContact O-N 3Å |
| 92 | T | 31 | Very low | 33.4 | Very low | 32 Ų | 32 | 71.8 Ų | 71.8 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 143.2 | 168.5 | 42.2 | 0 | 0 | 0 | 0 | 109.4 | W64 G90 D94 G95 A96 R128 | W64-T92 HydrophobicContact CE3-CG2 3.84Å; W64-T92 HydrophobicContact CH2-CG2 3.83Å; W64-T92 HydrophobicContact CZ3-CG2 3.24Å; W64-T92 WeakPolarHBondContact CZ3-OG1 3.26Å; G90-T92 PolarHBondContact O-N 3.41Å; T92-D94 PolarHBondContact O-N 3.23Å; T92-G95 PolarHBondContact O-N 2.86Å; T92-A96 PolarHBondContact O-N 2.86Å; T92-R128 WeakPolarHBondContact CA-O 3.46Å |
| 93 | A | 29.9 | Very low | 33.4 | Very low | 35 Ų | 35 | 72.6 Ų | 72.6 | 29% | 0.289 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R128 | A93-R128 PolarHBondContact N-O 3.02Š|
| 94 | D | 32.5 | Very low | 33.6 | Very low | 125 Ų | 125 | 76.3 Ų | 76.3 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -32.5 | 178.2 | -62.5 | -30.7 | 0 | 0 | 0 | 113.1 | T92 T97 | T92-D94 PolarHBondContact O-N 3.23Å; D94-T97 PolarHBondContact O-OG1 3.14Å |
| 95 | G | 29.8 | Very low | 33.8 | Very low | 25 Ų | 25 | 78 Ų | 78 | 26% | 0.258 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -22 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T92 T97 | T92-G95 PolarHBondContact O-N 2.86Å; G95-T97 PolarHBondContact O-N 3.25Å |
| 96 | A | 29.4 | Very low | 34 | Very low | 18 Ų | 18 | 77.6 Ų | 77.6 | 15% | 0.149 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 18.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T92 A98 L130 | T92-A96 PolarHBondContact O-N 2.86Å; A96-A98 PolarHBondContact O-N 3.06Å; A96-L130 HydrophobicContact CB-CD1 3.39Å |
| 97 | T | 29.4 | Very low | 34.2 | Very low | 98 Ų | 98 | 82.3 Ų | 82.3 | 60% | 0.601 | 45% | 0.451 | S | S | * | . | trans | -69.7 | 73.5 | 161.4 | 45 | 0 | 0 | 0 | 0 | 108.6 | D94 G95 K99 | D94-T97 PolarHBondContact O-OG1 3.14Å; G95-T97 PolarHBondContact O-N 3.25Å; T97-K99 VanDerWaalsContact C-N 3.26Å; T97-K99 PolarHBondContact O-N 3.21Å | ||
| 98 | A | 32.2 | Very low | 34.1 | Very low | 41 Ų | 41 | 83 Ų | 83 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | trans | -49.4 | 109.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | A96 Q100 V119 | A96-A98 PolarHBondContact O-N 3.06Å; A98-Q100 VanDerWaalsContact C-N 3.25Å; A98-Q100 WeakPolarHBondContact O-CA 3.39Å; A98-Q100 PolarHBondContact O-N 3.36Å; A98-V119 HydrophobicContact CB-CB 3.89Å; A98-V119 HydrophobicContact CB-CG1 3.39Å; A98-V119 HydrophobicContact CB-CG2 4.31Å | ||
| 99 | K | 32.2 | Very low | 34.2 | Very low | 144 Ų | 144 | 87.1 Ų | 87.1 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | trans | -50 | 98 | -174.2 | -77.4 | -178.8 | 178.7 | 176.6 | 0 | 107.4 | T97 G101 | T97-K99 VanDerWaalsContact C-N 3.26Å; T97-K99 PolarHBondContact O-N 3.21Å; K99-G101 PolarHBondContact O-N 3.16Å; K99-G101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | Q | 31.8 | Very low | 34.8 | Very low | 165 Ų | 165 | 86.2 Ų | 86.2 | 77% | 0.771 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 117.6 | -168.7 | -162.2 | -179.2 | 19.2 | 0 | 0 | 105.1 | A98 | A98-Q100 VanDerWaalsContact C-N 3.25Å; A98-Q100 WeakPolarHBondContact O-CA 3.39Å; A98-Q100 PolarHBondContact O-N 3.36Å |
| 101 | G | 30.8 | Very low | 35.4 | Very low | 64 Ų | 64 | 86.5 Ų | 86.5 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 35.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | K99 | K99-G101 PolarHBondContact O-N 3.16Å; K99-G101 VanDerWaalsContact O-N 3.09Å |
| 102 | R | 34.8 | Very low | 35.5 | Very low | 184 Ų | 184 | 85.5 Ų | 85.5 | 69% | 0.694 | 47% | 0.473 | S | S | * | . | trans | -118.5 | 125.7 | 153 | -69.2 | -168.2 | -170.4 | -173.1 | 1.9 | 110 | Q104 | R102-Q104 PolarHBondContact O-N 3.49Å; R102-Q104 VanDerWaalsContact O-N 3.07Å | ||
| 103 | D | 39.4 | Very low | 36 | Very low | 111 Ų | 111 | 84 Ų | 84 | 59% | 0.594 | 46% | 0.464 | S | S | * | . | trans | -54.4 | 113.7 | 169.5 | -65.9 | -25.5 | 0 | 0 | 0 | 108.2 | ||||
| 104 | Q | 41.1 | Very low | 36.5 | Very low | 120 Ų | 120 | 82.8 Ų | 82.8 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 109.7 | 167.2 | -72.7 | -163.4 | 16.6 | 0 | 0 | 107.5 | R102 F114 S115 F116 | R102-Q104 PolarHBondContact O-N 3.49Å; R102-Q104 VanDerWaalsContact O-N 3.07Å; Q104-F114 VanDerWaalsContact O-O 3.06Å; Q104-S115 WeakPolarHBondContact O-CA 3.5Å; Q104-F116 HydrophobicContact CB-CD2 4.38Å; Q104-F116 PolarHBondContact O-N 3.23Å |
| 105 | E | 40.8 | Very low | 37 | Very low | 110 Ų | 110 | 77.4 Ų | 77.4 | 51% | 0.514 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.4 | 170.5 | -68.5 | -172.6 | 160.7 | 0 | 0 | 110 | F114 | E105-F114 CarbonylContact C-O 3.55Å; E105-F114 WeakPolarHBondContact CA-O 3.33Å |
| 106 | I | 42.8 | Very low | 37.8 | Very low | 33 Ų | 33 | 77 Ų | 77 | 17% | 0.169 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 103.2 | 167.7 | -63.4 | 157.1 | 0 | 0 | 0 | 107.4 | T70 R108 A113 F114 F116 | T70-I106 HydrophobicContact CG2-CD1 3.17Å; T70-I106 HydrophobicContact CG2-CG1 4.34Å; I106-R108 PolarHBondContact O-N 3.23Å; I106-A113 CarbonylContact O-C 3.54Å; I106-A113 VanDerWaalsContact O-CA 3.27Å; I106-A113 WeakPolarHBondContact O-CA 3.3Å; I106-F114 HydrophobicContact CB-CB 4.41Å; I106-F114 PolarHBondContact N-O 3.23Å; I106-F114 PolarHBondContact O-N 3.04Å; I106-F116 HydrophobicContact CD1-CD2 4.1Å; I106-F116 HydrophobicContact CD1-CE2 3.29Å; I106-F116 HydrophobicContact CD1-CZ 3.92Å; I106-F116 HydrophobicContact CG1-CE2 4.49Å |
| 107 | K | 39.7 | Very low | 38.5 | Very low | 149 Ų | 149 | 78.7 Ų | 78.7 | 65% | 0.648 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 125.9 | 171.4 | -64.7 | -174.5 | 179 | -178.5 | 0 | 108.9 | L144 | K107-L144 HydrophobicContact CG-CD1 4.35Å |
| 108 | R | 36.8 | Very low | 39.1 | Very low | 25 Ų | 25 | 79.5 Ų | 79.5 | 9% | 0.094 | 43% | 0.425 | C | S | . | . | trans | -89.2 | 153.4 | 173.5 | -70.7 | 175.4 | 166.6 | 175.1 | 10.2 | 110.4 | A76 I106 N110 G111 S112 F114 | A76-R108 VanDerWaalsContact CB-NH1 3.29Å; I106-R108 PolarHBondContact O-N 3.23Å; R108-N110 WeakPolarHBondContact CB-OD1 3.29Å; R108-N110 PolarHBondContact O-N 3.4Å; R108-N110 VanDerWaalsContact O-N 3.08Å; R108-G111 PolarHBondContact O-N 3.01Å; R108-S112 VanDerWaalsContact CB-O 3.28Å; R108-S112 WeakPolarHBondContact CB-O 3.42Å; R108-S112 WeakPolarHBondContact CD-OG 3.37Å; R108-S112 PolarHBondContact N-O 3.02Å; R108-F114 VanDerWaalsContact NE-CD2 3.34Å | ||
| 109 | P | 34.9 | Very low | 39.7 | Very low | 141 Ų | 141 | 78.5 Ų | 78.5 | 92% | 0.916 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.2 | 173.2 | -25.5 | 34.2 | 0 | 0 | 0 | 114 | G111 | P109-G111 VanDerWaalsContact C-N 3.28Å; P109-G111 PolarHBondContact O-N 3.35Å |
| 110 | N | 45.6 | Very low | 40.2 | Very low | 117 Ų | 117 | 73.5 Ų | 73.5 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 7 | 178.6 | 73.4 | -7.5 | 0 | 0 | 0 | 114.5 | R108 S112 | R108-N110 WeakPolarHBondContact CB-OD1 3.29Å; R108-N110 PolarHBondContact O-N 3.4Å; R108-N110 VanDerWaalsContact O-N 3.08Å; N110-S112 PolarHBondContact ND2-OG 3.26Å; N110-S112 PolarHBondContact O-N 3Å; N110-S112 WeakPolarHBondContact OD1-CB 3.37Å; N110-S112 PolarHBondContact OD1-N 2.84Å; N110-S112 PolarHBondContact OD1-OG 3.25Å |
| 111 | G | 41.8 | Very low | 40.8 | Very low | 46 Ų | 46 | 68.1 Ų | 68.1 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 82 | 1.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R108 P109 | R108-G111 PolarHBondContact O-N 3.01Å; P109-G111 VanDerWaalsContact C-N 3.28Å; P109-G111 PolarHBondContact O-N 3.35Å |
| 112 | S | 39 | Very low | 41.4 | Very low | 13 Ų | 13 | 70 Ų | 70 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 154.9 | 171.4 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | R108 N110 | R108-S112 VanDerWaalsContact CB-O 3.28Å; R108-S112 WeakPolarHBondContact CB-O 3.42Å; R108-S112 WeakPolarHBondContact CD-OG 3.37Å; R108-S112 PolarHBondContact N-O 3.02Å; N110-S112 PolarHBondContact ND2-OG 3.26Å; N110-S112 PolarHBondContact O-N 3Å; N110-S112 WeakPolarHBondContact OD1-CB 3.37Å; N110-S112 PolarHBondContact OD1-N 2.84Å; N110-S112 PolarHBondContact OD1-OG 3.25Å |
| 113 | A | 41.2 | Very low | 41.9 | Very low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 145 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I106 V142 L144 | I106-A113 CarbonylContact O-C 3.54Å; I106-A113 VanDerWaalsContact O-CA 3.27Å; I106-A113 WeakPolarHBondContact O-CA 3.3Å; A113-V142 HydrophobicContact CB-CB 4.38Å; A113-V142 PolarHBondContact N-O 3.4Å; A113-V142 PolarHBondContact O-N 2.8Å; A113-L144 HydrophobicContact CB-CD1 4.18Å; A113-L144 HydrophobicContact CB-CD2 4.07Å; A113-L144 HydrophobicContact CB-CG 3.9Å |
| 114 | F | 40.1 | Very low | 41.7 | Very low | 9 Ų | 9 | 60.8 Ų | 60.8 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117 | 169 | -90.3 | -106.3 | 0 | 0 | 0 | 108.3 | L73 A76 P77 Q104 E105 I106 R108 E141 | L73-F114 HydrophobicContact CD1-CG 4.4Å; A76-F114 HydrophobicContact CB-CZ 4.02Å; P77-F114 HydrophobicContact CG-CD1 4.1Å; P77-F114 HydrophobicContact CG-CE1 3.72Å; Q104-F114 VanDerWaalsContact O-O 3.06Å; E105-F114 CarbonylContact C-O 3.55Å; E105-F114 WeakPolarHBondContact CA-O 3.33Å; I106-F114 HydrophobicContact CB-CB 4.41Å; I106-F114 PolarHBondContact N-O 3.23Å; I106-F114 PolarHBondContact O-N 3.04Å; R108-F114 VanDerWaalsContact NE-CD2 3.34Å; F114-E141 HydrophobicContact CE1-CB 4.36Å; F114-E141 HydrophobicContact CE2-CB 4.16Å; F114-E141 HydrophobicContact CE2-CG 3.85Å; F114-E141 HydrophobicContact CZ-CB 3.8Å; F114-E141 HydrophobicContact CZ-CG 3.9Å |
| 115 | S | 44 | Very low | 41.6 | Very low | 12 Ų | 12 | 63.4 Ų | 63.4 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.5 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | Q104 A117 G139 K140 | Q104-S115 WeakPolarHBondContact O-CA 3.5Å; S115-A117 PolarHBondContact O-N 3.1Å; S115-G139 CarbonylContact O-C 3.6Å; S115-G139 VanDerWaalsContact O-CA 3.26Å; S115-G139 WeakPolarHBondContact O-CA 3.29Å; S115-K140 PolarHBondContact N-O 3.09Å; S115-K140 VanDerWaalsContact N-O 3.16Å; S115-K140 PolarHBondContact O-N 3.42Å |
| 116 | F | 45.5 | Very low | 41.5 | Very low | 17 Ų | 17 | 60.9 Ų | 60.9 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 101.2 | 167.4 | -61.5 | -61.3 | 0 | 0 | 0 | 109.7 | T70 L83 Q104 I106 K118 L137 | T70-F116 HydrophobicContact CG2-CE2 4.12Å; T70-F116 HydrophobicContact CG2-CZ 4.23Å; L83-F116 HydrophobicContact CD1-CE1 4.02Å; L83-F116 HydrophobicContact CD1-CZ 3.8Å; Q104-F116 HydrophobicContact CB-CD2 4.38Å; Q104-F116 PolarHBondContact O-N 3.23Å; I106-F116 HydrophobicContact CD1-CD2 4.1Å; I106-F116 HydrophobicContact CD1-CE2 3.29Å; I106-F116 HydrophobicContact CD1-CZ 3.92Å; I106-F116 HydrophobicContact CG1-CE2 4.49Å; F116-K118 VanDerWaalsContact C-N 3.3Å; F116-K118 PolarHBondContact O-N 2.9Å; F116-L137 HydrophobicContact CD1-CB 3.62Å; F116-L137 HydrophobicContact CD1-CD1 4.36Å; F116-L137 HydrophobicContact CD1-CG 4.38Å; F116-L137 HydrophobicContact CE1-CB 3.74Å; F116-L137 HydrophobicContact CE1-CD1 4Å; F116-L137 HydrophobicContact CE1-CG 4.41Å; F116-L137 HydrophobicContact CE2-CD1 4.14Å; F116-L137 HydrophobicContact CG-CB 4.3Å; F116-L137 HydrophobicContact CG-CD2 4.37Å; F116-L137 HydrophobicContact CZ-CB 4.48Å; F116-L137 HydrophobicContact CZ-CD1 3.89Å |
| 117 | A | 43.7 | Very low | 41.3 | Very low | 54 Ų | 54 | 66.9 Ų | 66.9 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -20.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S115 L138 | S115-A117 PolarHBondContact O-N 3.1Å; A117-L138 PolarHBondContact N-O 3.2Å |
| 118 | K | 42.7 | Very low | 41.2 | Very low | 114 Ų | 114 | 69.4 Ų | 69.4 | 50% | 0.496 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 128 | -179.8 | -164.2 | 174.4 | -175.9 | 177.1 | 0 | 111.4 | F116 L138 | F116-K118 VanDerWaalsContact C-N 3.3Å; F116-K118 PolarHBondContact O-N 2.9Å; K118-L138 HydrophobicContact CB-CB 4.35Å; K118-L138 HydrophobicContact CB-CD1 4.21Å; K118-L138 HydrophobicContact CD-CD1 4.37Å; K118-L138 PolarHBondContact O-N 3.12Å |
| 119 | V | 45.3 | Very low | 41.1 | Very low | 21 Ų | 21 | 72.5 Ų | 72.5 | 13% | 0.127 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115 | 165 | -167.4 | 0 | 0 | 0 | 0 | 107.9 | A98 V135 I136 L137 | A98-V119 HydrophobicContact CB-CB 3.89Å; A98-V119 HydrophobicContact CB-CG1 3.39Å; A98-V119 HydrophobicContact CB-CG2 4.31Å; V119-V135 HydrophobicContact CG1-CG1 3.36Å; V119-I136 WeakPolarHBondContact CA-O 3.34Å; V119-L137 HydrophobicContact CB-CD2 4.08Å; V119-L137 HydrophobicContact CG1-CD2 3.73Å; V119-L137 HydrophobicContact CG2-CD2 3.5Å |
| 120 | T | 42 | Very low | 41.3 | Very low | 38 Ų | 38 | 66.1 Ų | 66.1 | 23% | 0.233 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.6 | 172 | -51.3 | 0 | 0 | 0 | 0 | 108.3 | E122 V135 I136 | T120-E122 HydrophobicContact CG2-CG 4.11Å; T120-V135 CarbonylContact O-C 3.57Å; T120-V135 WeakPolarHBondContact O-CA 3.41Å; T120-I136 PolarHBondContact N-O 2.87Å; T120-I136 PolarHBondContact O-N 3.33Å |
| 121 | V | 45.5 | Very low | 40.7 | Very low | 52 Ų | 52 | 64.7 Ų | 64.7 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 108.4 | 170.7 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | F87 L130 K134 V135 | F87-V121 HydrophobicContact CE1-CG1 4.12Å; F87-V121 HydrophobicContact CZ-CG1 4.07Å; V121-L130 HydrophobicContact CG1-CD1 4.28Å; V121-K134 WeakPolarHBondContact CA-O 3.34Å; V121-V135 HydrophobicContact CG2-CG2 4.37Å |
| 122 | E | 42.8 | Very low | 40.5 | Very low | 105 Ų | 105 | 65.7 Ų | 65.7 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.4 | 171 | -66.1 | 179.3 | 160.4 | 0 | 0 | 108.2 | T120 G133 K134 | T120-E122 HydrophobicContact CG2-CG 4.11Å; E122-G133 CarbonylContact O-C 3.32Å; E122-G133 WeakPolarHBondContact O-CA 3.45Å; E122-K134 HydrophobicContact CB-CB 4.41Å; E122-K134 PolarHBondContact N-O 3.31Å; E122-K134 PolarHBondContact O-N 3.43Å |
| 123 | G | 44 | Very low | 40.5 | Very low | 36 Ų | 36 | 65.7 Ų | 65.7 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 153.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K125 S132 | G123-K125 PolarHBondContact O-N 3.15Å; G123-K125 VanDerWaalsContact O-N 3.09Å; G123-S132 WeakPolarHBondContact CA-O 3.43Å |
| 124 | A | 35.9 | Very low | 40.4 | Very low | 64 Ų | 64 | 69 Ų | 69 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 106.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S132 | A124-S132 PolarHBondContact N-O 3.33Å |
| 125 | K | 40.3 | Very low | 40.4 | Very low | 176 Ų | 176 | 69.6 Ų | 69.6 | 77% | 0.765 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117.7 | 168.2 | -68 | -178.2 | 179.6 | -178.1 | 0 | 107.7 | G123 L130 | G123-K125 PolarHBondContact O-N 3.15Å; G123-K125 VanDerWaalsContact O-N 3.09Å; K125-L130 HydrophobicContact CG-CD2 3.9Å |
| 126 | S | 37.2 | Very low | 40.3 | Very low | 56 Ų | 56 | 70.1 Ų | 70.1 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.3 | 157.4 | 98.1 | 0 | 0 | 0 | 0 | 107.3 | R128 Q129 H131 | S126-R128 PolarHBondContact O-N 3.29Å; S126-R128 VanDerWaalsContact O-N 3.09Å; S126-Q129 PolarHBondContact N-O 3.17Å; S126-Q129 VanDerWaalsContact N-O 3.12Å; S126-Q129 PolarHBondContact O-N 2.86Å; S126-Q129 VanDerWaalsContact O-O 3.1Å; S126-H131 PolarHBondContact OG-CD2 2.8Å; S126-H131 PolarHBondContact OG-NE2 2.86Å |
| 127 | D | 38.6 | Very low | 40.2 | Very low | 159 Ų | 159 | 70.5 Ų | 70.5 | 85% | 0.85 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.8 | 65.6 | 169.5 | -63.1 | -20.2 | 0 | 0 | 0 | 115.4 | Q129 | D127-Q129 PolarHBondContact O-N 2.72Š|
| 128 | R | 38.9 | Very low | 40.2 | Very low | 203 Ų | 203 | 71.1 Ų | 71.1 | 77% | 0.766 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 7.6 | 177.4 | -54.6 | 178 | 174 | 156.4 | -1.9 | 116.5 | T92 A93 S126 | T92-R128 WeakPolarHBondContact CA-O 3.46Å; A93-R128 PolarHBondContact N-O 3.02Å; S126-R128 PolarHBondContact O-N 3.29Å; S126-R128 VanDerWaalsContact O-N 3.09Å |
| 129 | Q | 34.9 | Very low | 40.3 | Very low | 89 Ų | 89 | 66.9 Ų | 66.9 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.4 | 177 | -65.4 | -177.1 | -7.9 | 0 | 0 | 111.5 | S126 D127 H131 | S126-Q129 PolarHBondContact N-O 3.17Å; S126-Q129 VanDerWaalsContact N-O 3.12Å; S126-Q129 PolarHBondContact O-N 2.86Å; S126-Q129 VanDerWaalsContact O-O 3.1Å; D127-Q129 PolarHBondContact O-N 2.72Å; Q129-H131 PolarHBondContact OE1-CE1 2.93Å; Q129-H131 VanDerWaalsContact OE1-CE1 3.31Å |
| 130 | L | 38 | Very low | 40.2 | Very low | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 104 | 165.5 | -66.9 | 164.5 | 0 | 0 | 0 | 107.4 | F87 M91 A96 V121 K125 | F87-L130 HydrophobicContact CE2-CB 3.75Å; F87-L130 HydrophobicContact CE2-CD1 4.4Å; F87-L130 HydrophobicContact CZ-CB 4.21Å; F87-L130 HydrophobicContact CZ-CD1 4.17Å; M91-L130 HydrophobicContact CB-CB 4.48Å; M91-L130 PolarHBondContact O-N 3Å; A96-L130 HydrophobicContact CB-CD1 3.39Å; V121-L130 HydrophobicContact CG1-CD1 4.28Å; K125-L130 HydrophobicContact CG-CD2 3.9Å |
| 131 | H | 32.5 | Very low | 40 | Very low | 87 Ų | 87 | 76.5 Ų | 76.5 | 40% | 0.403 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -31.4 | -179.1 | -68.3 | -72.4 | 0 | 0 | 0 | 112.4 | S126 Q129 | S126-H131 PolarHBondContact OG-CD2 2.8Å; S126-H131 PolarHBondContact OG-NE2 2.86Å; Q129-H131 PolarHBondContact OE1-CE1 2.93Å; Q129-H131 VanDerWaalsContact OE1-CE1 3.31Å |
| 132 | S | 38.1 | Very low | 39.6 | Very low | 66 Ų | 66 | 76.4 Ų | 76.4 | 46% | 0.462 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 152.6 | 174 | 57.7 | 0 | 0 | 0 | 0 | 109.1 | F87 G123 A124 | F87-S132 WeakPolarHBondContact O-CA 3.26Å; G123-S132 WeakPolarHBondContact CA-O 3.43Å; A124-S132 PolarHBondContact N-O 3.33Å |
| 133 | G | 38.5 | Very low | 39.2 | Very low | 13 Ų | 13 | 80.2 Ų | 80.2 | 13% | 0.134 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T86 F87 E122 | T86-G133 WeakPolarHBondContact CA-O 3.38Å; F87-G133 VanDerWaalsContact CE1-C 3.4Å; F87-G133 PolarHBondContact N-O 2.79Å; F87-G133 VanDerWaalsContact N-O 3.17Å; F87-G133 PolarHBondContact O-N 3.09Å; E122-G133 CarbonylContact O-C 3.32Å; E122-G133 WeakPolarHBondContact O-CA 3.45Å |
| 134 | K | 40 | Very low | 38.7 | Very low | 69 Ų | 69 | 85.5 Ų | 85.5 | 30% | 0.3 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.9 | -176.4 | -172.5 | -172.2 | 179.3 | -166.8 | 0 | 108.1 | I84 V121 E122 I136 | I84-K134 HydrophobicContact CG2-CD 4.29Å; I84-K134 HydrophobicContact CG2-CG 3.81Å; V121-K134 WeakPolarHBondContact CA-O 3.34Å; E122-K134 HydrophobicContact CB-CB 4.41Å; E122-K134 PolarHBondContact N-O 3.31Å; E122-K134 PolarHBondContact O-N 3.43Å; K134-I136 HydrophobicContact CD-CD1 4.12Å; K134-I136 HydrophobicContact CD-CG1 3.9Å; K134-I136 HydrophobicContact CG-CG1 4.1Å |
| 135 | V | 40.8 | Very low | 38.8 | Very low | 23 Ų | 23 | 86.6 Ų | 86.6 | 14% | 0.139 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.3 | 165.6 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | L83 I84 A85 F87 V119 T120 V121 L137 | L83-V135 VanDerWaalsContact O-O 3.07Å; I84-V135 WeakPolarHBondContact CA-O 3.49Å; A85-V135 HydrophobicContact CB-CB 4.14Å; A85-V135 HydrophobicContact CB-CG2 4.43Å; A85-V135 PolarHBondContact N-O 2.82Å; A85-V135 PolarHBondContact O-N 3.23Å; F87-V135 HydrophobicContact CD1-CG2 4.21Å; F87-V135 HydrophobicContact CE1-CG2 4.06Å; V119-V135 HydrophobicContact CG1-CG1 3.36Å; T120-V135 CarbonylContact O-C 3.57Å; T120-V135 WeakPolarHBondContact O-CA 3.41Å; V121-V135 HydrophobicContact CG2-CG2 4.37Å; V135-L137 HydrophobicContact CG1-CD2 4.2Å; V135-L137 HydrophobicContact CG1-CG 4.33Å |
| 136 | I | 40.9 | Very low | 38.8 | Very low | 23 Ų | 23 | 81.9 Ų | 81.9 | 12% | 0.118 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 113.9 | 172.2 | -54.2 | 177.2 | 0 | 0 | 0 | 107.4 | V119 T120 K134 L138 | V119-I136 WeakPolarHBondContact CA-O 3.34Å; T120-I136 PolarHBondContact N-O 2.87Å; T120-I136 PolarHBondContact O-N 3.33Å; K134-I136 HydrophobicContact CD-CD1 4.12Å; K134-I136 HydrophobicContact CD-CG1 3.9Å; K134-I136 HydrophobicContact CG-CG1 4.1Å; I136-L138 HydrophobicContact CG2-CD2 4.27Å; I136-L138 HydrophobicContact CG2-CG 4.35Å |
| 137 | L | 44 | Very low | 38.9 | Very low | 24 Ų | 24 | 83.3 Ų | 83.3 | 13% | 0.126 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 113.8 | 170 | -61.1 | 175.4 | 0 | 0 | 0 | 109 | L83 F116 V119 V135 G139 | L83-L137 HydrophobicContact CB-CB 3.93Å; L83-L137 HydrophobicContact CB-CD1 3.74Å; L83-L137 HydrophobicContact CB-CG 4.16Å; L83-L137 HydrophobicContact CD1-CD1 4.12Å; L83-L137 HydrophobicContact CG-CD1 4.46Å; L83-L137 PolarHBondContact O-N 3.09Å; L83-L137 VanDerWaalsContact O-N 3.16Å; F116-L137 HydrophobicContact CD1-CB 3.62Å; F116-L137 HydrophobicContact CD1-CD1 4.36Å; F116-L137 HydrophobicContact CD1-CG 4.38Å; F116-L137 HydrophobicContact CE1-CB 3.74Å; F116-L137 HydrophobicContact CE1-CD1 4Å; F116-L137 HydrophobicContact CE1-CG 4.41Å; F116-L137 HydrophobicContact CE2-CD1 4.14Å; F116-L137 HydrophobicContact CG-CB 4.3Å; F116-L137 HydrophobicContact CG-CD2 4.37Å; F116-L137 HydrophobicContact CZ-CB 4.48Å; F116-L137 HydrophobicContact CZ-CD1 3.89Å; V119-L137 HydrophobicContact CB-CD2 4.08Å; V119-L137 HydrophobicContact CG1-CD2 3.73Å; V119-L137 HydrophobicContact CG2-CD2 3.5Å; V135-L137 HydrophobicContact CG1-CD2 4.2Å; V135-L137 HydrophobicContact CG1-CG 4.33Å; L137-G139 PolarHBondContact O-N 3.46Å |
| 138 | L | 42.6 | Very low | 38.9 | Very low | 68 Ų | 68 | 78.9 Ų | 78.9 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 97 | 171.6 | -66.5 | 175.9 | 0 | 0 | 0 | 109 | H82 A117 K118 I136 | H82-L138 WeakPolarHBondContact CE1-CD2 3.19Å; H82-L138 VanDerWaalsContact ND1-CD2 3.29Å; H82-L138 WeakPolarHBondContact ND1-CD2 2.93Å; A117-L138 PolarHBondContact N-O 3.2Å; K118-L138 HydrophobicContact CB-CB 4.35Å; K118-L138 HydrophobicContact CB-CD1 4.21Å; K118-L138 HydrophobicContact CD-CD1 4.37Å; K118-L138 PolarHBondContact O-N 3.12Å; I136-L138 HydrophobicContact CG2-CD2 4.27Å; I136-L138 HydrophobicContact CG2-CG 4.35Å |
| 139 | G | 45.8 | Very low | 38.9 | Very low | 25 Ų | 25 | 71.1 Ų | 71.1 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 142.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S115 L137 | S115-G139 CarbonylContact O-C 3.6Å; S115-G139 VanDerWaalsContact O-CA 3.26Å; S115-G139 WeakPolarHBondContact O-CA 3.29Å; L137-G139 PolarHBondContact O-N 3.46Å |
| 140 | K | 41.9 | Very low | 39.1 | Very low | 153 Ų | 153 | 69.9 Ų | 69.9 | 67% | 0.665 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.2 | 157 | -70.1 | -176.2 | 179.3 | -179.7 | 0 | 108.5 | S115 V142 | S115-K140 PolarHBondContact N-O 3.09Å; S115-K140 VanDerWaalsContact N-O 3.16Å; S115-K140 PolarHBondContact O-N 3.42Å; K140-V142 PolarHBondContact O-N 3.09Å |
| 141 | E | 39.8 | Very low | 39.2 | Very low | 108 Ų | 108 | 74.4 Ų | 74.4 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 128.3 | 165.8 | -175.5 | 171.4 | -164.4 | 0 | 0 | 108.3 | F114 | F114-E141 HydrophobicContact CE1-CB 4.36Å; F114-E141 HydrophobicContact CE2-CB 4.16Å; F114-E141 HydrophobicContact CE2-CG 3.85Å; F114-E141 HydrophobicContact CZ-CB 3.8Å; F114-E141 HydrophobicContact CZ-CG 3.9Å |
| 142 | V | 37.2 | Very low | 39.7 | Very low | 49 Ų | 49 | 73.4 Ų | 73.4 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.3 | 175.6 | -172.2 | 0 | 0 | 0 | 0 | 106.8 | A113 K140 | A113-V142 HydrophobicContact CB-CB 4.38Å; A113-V142 PolarHBondContact N-O 3.4Å; A113-V142 PolarHBondContact O-N 2.8Å; K140-V142 PolarHBondContact O-N 3.09Å |
| 143 | K | 34.3 | Very low | 39.9 | Very low | 186 Ų | 186 | 74 Ų | 74 | 81% | 0.809 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.3 | 163.6 | -76 | -175 | 176.5 | -178.5 | 0 | 107.3 | ||
| 144 | L | 32.9 | Very low | 40 | Very low | 147 Ų | 147 | 79.5 Ų | 79.5 | 77% | 0.77 | 40% | 0.395 | S | S | * | . | trans | -71.7 | 0 | 165.4 | -67.2 | 174.7 | 0 | 0 | 0 | 109.8 | K107 A113 | K107-L144 HydrophobicContact CG-CD1 4.35Å; A113-L144 HydrophobicContact CB-CD1 4.18Å; A113-L144 HydrophobicContact CB-CD2 4.07Å; A113-L144 HydrophobicContact CB-CG 3.9Å |
Retrieved 144 of 144 residues in 127.2 ms
(Link to these results)