| 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 | 31.8 | Very low | 35.1 | Very low | 237 Ų | 237 | 158.5 Ų | 158.5 | 100% | 1.167 | 79% | 0.794 | S | S | * | * | 0 | 110.4 | 0 | -83.2 | 174.9 | 172.6 | 0 | 0 | 107.8 | |||||
| 2 | E | 27.1 | Very low | 36.1 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 95% | 0.949 | 75% | 0.754 | S | S | * | * | trans | -71 | 124.3 | -179.4 | -66.7 | 173.1 | 123.3 | 0 | 0 | 109.8 | ||||
| 3 | V | 30.4 | Very low | 37.3 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | -105.6 | 111.8 | 175.2 | -168.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | S | 28.9 | Very low | 38.3 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | trans | -48.6 | 142.5 | 175.9 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | R6 | S4-R6 PolarHBondContact O-N 3.34Š| ||
| 5 | R | 40.9 | Very low | 39.1 | Very low | 262 Ų | 262 | 130.7 Ų | 130.7 | 99% | 0.989 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -63.4 | 18 | -179.9 | -66.4 | 179.4 | 178.5 | 177 | -0.3 | 114.9 | ||
| 6 | R | 34.8 | Very low | 39.7 | Very low | 204 Ų | 204 | 130.1 Ų | 130.1 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -115.1 | 122.5 | 177.5 | -62.5 | 179.8 | -175.3 | -172.8 | 0.9 | 105.4 | S4 | S4-R6 PolarHBondContact O-N 3.34Š|
| 7 | A | 35.3 | Very low | 40 | Very low | 70 Ų | 70 | 129 Ų | 129 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | trans | -46.7 | 134.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | L9 | A7-L9 PolarHBondContact O-N 3.05Š| ||
| 8 | P | 34.7 | Very low | 40.3 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | trans | -54.3 | 119.5 | 177.2 | 20.7 | -29.5 | 0 | 0 | 0 | 107.4 | M10 | P8-M10 PolarHBondContact O-N 3.14Š| ||
| 9 | L | 39.8 | Very low | 40.9 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | trans | -57.3 | 107.6 | 172.1 | -86.9 | 130.9 | 0 | 0 | 0 | 106 | A7 H11 Y27 | A7-L9 PolarHBondContact O-N 3.05Å; L9-H11 PolarHBondContact O-N 3.36Å; L9-Y27 HydrophobicContact CD2-CE2 4.03Å | ||
| 10 | M | 38.9 | Very low | 41.3 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | trans | -64.9 | 97.1 | 164.6 | -70.7 | -119.1 | -57.7 | 0 | 0 | 105.9 | P8 N12 | P8-M10 PolarHBondContact O-N 3.14Å; M10-N12 VanDerWaalsContact C-N 3.26Å; M10-N12 PolarHBondContact O-N 3.28Å | ||
| 11 | H | 43.6 | Very low | 41.8 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 76% | 0.755 | 65% | 0.649 | S | S | * | * | trans | -75.5 | 87.3 | 173.3 | 179.1 | -87.8 | 0 | 0 | 0 | 107.4 | L9 | L9-H11 PolarHBondContact O-N 3.36Š| ||
| 12 | N | 46.7 | Very low | 42.6 | Very low | 60 Ų | 60 | 115.6 Ų | 115.6 | 32% | 0.321 | 60% | 0.602 | S | S | . | * | trans | -88.7 | 118.1 | 166.8 | -162.6 | -13 | 0 | 0 | 0 | 107.6 | M10 N14 I16 M22 | M10-N12 VanDerWaalsContact C-N 3.26Å; M10-N12 PolarHBondContact O-N 3.28Å; N12-N14 PolarHBondContact ND2-O 2.8Å; N12-N14 PolarHBondContact O-N 3.37Å; N12-N14 PolarHBondContact OD1-N 3.36Å; N12-N14 PolarHBondContact OD1-O 3.45Å; N12-I16 WeakPolarHBondContact ND2-CG2 3.11Å; N12-M22 WeakPolarHBondContact O-CG 3.16Å | ||
| 13 | P | 52.5 | Low | 43.6 | Very low | 75 Ų | 75 | 114.7 Ų | 114.7 | 49% | 0.487 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -64.9 | -19.2 | 175.9 | 26.8 | -34.8 | 0 | 0 | 0 | 112.2 | P21 M22 | P13-P21 WeakPolarHBondContact O-CA 3.16Å; P13-M22 PolarHBondContact O-N 3.44Å |
| 14 | N | 50.7 | Low | 44.4 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 39% | 0.385 | 60% | 0.6 | S | S | . | * | B | Isolated β-bridge | trans | -120.9 | 147.6 | -175.2 | -61.2 | -20.6 | 0 | 0 | 0 | 111.7 | N12 I16 Q20 | N12-N14 PolarHBondContact ND2-O 2.8Å; N12-N14 PolarHBondContact O-N 3.37Å; N12-N14 PolarHBondContact OD1-N 3.36Å; N12-N14 PolarHBondContact OD1-O 3.45Å; N14-I16 PolarHBondContact O-N 2.72Å; N14-Q20 CarbonylContact C-O 3.55Å; N14-Q20 WeakPolarHBondContact CA-O 2.93Å |
| 15 | C | 50.8 | Low | 45 | Very low | 9 Ų | 9 | 116.6 Ų | 116.6 | 6% | 0.061 | 59% | 0.593 | C | S | . | * | trans | -66.5 | 126.9 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | T17 C18 E19 Q20 E38 | C15-T17 PolarHBondContact O-N 2.79Å; C15-T17 VanDerWaalsContact O-N 3.12Å; C15-T17 PolarHBondContact SG-N 3.25Å; C15-T17 VanDerWaalsContact SG-N 3.44Å; C15-C18 WeakPolarHBondContact CB-SG 3.34Å; C15-C18 PolarHBondContact O-N 3.24Å; C15-C18 VanDerWaalsContact SG-SG 3.66Å; C15-E19 WeakPolarHBondContact O-CA 2.91Å; C15-E19 PolarHBondContact O-N 2.83Å; C15-Q20 PolarHBondContact N-O 3.01Å; C15-E38 WeakPolarHBondContact CA-OE2 3.48Å; C15-E38 WeakPolarHBondContact CB-OE2 3.39Å; C15-E38 PolarHBondContact SG-OE2 2.93Å | ||
| 16 | I | 48.7 | Very low | 45.2 | Very low | 122 Ų | 122 | 105.7 Ų | 105.7 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -17 | 176.6 | 62.4 | 169.3 | 0 | 0 | 0 | 113.2 | N12 N14 | N12-I16 WeakPolarHBondContact ND2-CG2 3.11Å; N14-I16 PolarHBondContact O-N 2.72Å |
| 17 | T | 44.3 | Very low | 45.8 | Very low | 111 Ų | 111 | 100.6 Ų | 100.6 | 68% | 0.681 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -35.5 | -178.1 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | C15 | C15-T17 PolarHBondContact O-N 2.79Å; C15-T17 VanDerWaalsContact O-N 3.12Å; C15-T17 PolarHBondContact SG-N 3.25Å; C15-T17 VanDerWaalsContact SG-N 3.44Å |
| 18 | C | 45.3 | Very low | 46.1 | Very low | 64 Ų | 64 | 100.1 Ų | 100.1 | 43% | 0.432 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 3.4 | -175.2 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | C15 Q20 | C15-C18 WeakPolarHBondContact CB-SG 3.34Å; C15-C18 PolarHBondContact O-N 3.24Å; C15-C18 VanDerWaalsContact SG-SG 3.66Å; C18-Q20 PolarHBondContact O-N 3.1Å |
| 19 | E | 51 | Low | 46.5 | Very low | 163 Ų | 163 | 101.1 Ų | 101.1 | 76% | 0.762 | 53% | 0.527 | S | S | * | . | trans | 57.7 | 7.6 | 179.7 | -58.5 | -178 | 174 | 0 | 0 | 115.3 | C15 | C15-E19 WeakPolarHBondContact O-CA 2.91Å; C15-E19 PolarHBondContact O-N 2.83Å | ||
| 20 | Q | 49.1 | Very low | 46.4 | Very low | 109 Ų | 109 | 101.4 Ų | 101.4 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | trans | -81.7 | 155.7 | 178.2 | -68.3 | -174.1 | -14.7 | 0 | 0 | 112.2 | N14 C15 C18 M22 | N14-Q20 CarbonylContact C-O 3.55Å; N14-Q20 WeakPolarHBondContact CA-O 2.93Å; C15-Q20 PolarHBondContact N-O 3.01Å; C18-Q20 PolarHBondContact O-N 3.1Å; Q20-M22 PolarHBondContact O-N 3.12Å | ||
| 21 | P | 51.9 | Low | 46.2 | Very low | 99 Ų | 99 | 98.1 Ų | 98.1 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | B | Isolated β-bridge | trans | -57 | 130.8 | 177.8 | -25.6 | 34.7 | 0 | 0 | 0 | 113.5 | P13 H23 | P13-P21 WeakPolarHBondContact O-CA 3.16Å; P21-H23 PolarHBondContact O-N 3.14Å |
| 22 | M | 49.8 | Very low | 46 | Very low | 37 Ų | 37 | 91.4 Ų | 91.4 | 18% | 0.182 | 48% | 0.484 | C | S | . | . | trans | -67.3 | 107.4 | 177.4 | -82.3 | -128 | 67.2 | 0 | 0 | 112 | N12 P13 Q20 S25 E38 | N12-M22 WeakPolarHBondContact O-CG 3.16Å; P13-M22 PolarHBondContact O-N 3.44Å; Q20-M22 PolarHBondContact O-N 3.12Å; M22-S25 WeakPolarHBondContact SD-CB 3.44Å; M22-S25 PolarHBondContact SD-OG 3.42Å; M22-S25 VanDerWaalsContact SD-OG 3.35Å; M22-E38 HydrophobicContact CE-CB 3.53Å; M22-E38 HydrophobicContact CE-CG 3.2Å; M22-E38 WeakPolarHBondContact CE-OE2 3.39Å; M22-E38 WeakPolarHBondContact CG-OE2 3.45Å; M22-E38 HydrophobicContact SD-CG 3.76Å | ||
| 23 | H | 46.4 | Very low | 45.7 | Very low | 184 Ų | 184 | 93.4 Ų | 93.4 | 85% | 0.852 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -85.8 | -16.8 | 177.1 | -111.9 | -83.4 | 0 | 0 | 0 | 114.5 | P21 | P21-H23 PolarHBondContact O-N 3.14Š|
| 24 | K | 47.5 | Very low | 45.4 | Very low | 190 Ų | 190 | 96.8 Ų | 96.8 | 83% | 0.826 | 50% | 0.499 | S | S | * | . | trans | -172.7 | 115.8 | 169.5 | -104 | 163.8 | -173.7 | -179.2 | 0 | 109.3 | ||||
| 25 | S | 41.7 | Very low | 45.1 | Very low | 67 Ų | 67 | 96.4 Ų | 96.4 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | trans | -95 | 136 | 171.8 | 13.3 | 0 | 0 | 0 | 0 | 111 | M22 H36 | M22-S25 WeakPolarHBondContact SD-CB 3.44Å; M22-S25 PolarHBondContact SD-OG 3.42Å; M22-S25 VanDerWaalsContact SD-OG 3.35Å; S25-H36 WeakPolarHBondContact CB-NE2 3.13Å | ||
| 26 | G | 44.9 | Very low | 44.8 | Very low | 33 Ų | 33 | 98.4 Ų | 98.4 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 149.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I37 | G26-I37 PolarHBondContact N-O 3.09Å; G26-I37 PolarHBondContact O-N 2.07Å |
| 27 | Y | 48 | Very low | 44.7 | Very low | 98 Ų | 98 | 96 Ų | 96 | 38% | 0.384 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.8 | 170.2 | -69.4 | -89.2 | 0 | 0 | 0 | 109.1 | L9 Q35 H36 | L9-Y27 HydrophobicContact CD2-CE2 4.03Å; Y27-Q35 WeakPolarHBondContact CA-O 3.36Å; Y27-H36 HydrophobicContact CD1-CB 4.31Å; Y27-H36 AromaticContact CD1-CD2 3.99Å; Y27-H36 HydrophobicContact CE1-CB 4.02Å; Y27-H36 AromaticContact CE1-CD2 3.58Å; Y27-H36 AromaticContact CE2-CD2 3.93Å; Y27-H36 AromaticContact CZ-CD2 3.54Å; Y27-H36 AromaticContact CZ-NE2 3.94Å |
| 28 | V | 42.8 | Very low | 44.4 | Very low | 60 Ų | 60 | 92 Ų | 92 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.4 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | R30 Q35 I37 | V28-R30 HydrophobicContact CG1-CG 4.24Å; V28-Q35 PolarHBondContact N-O 3.11Å; V28-Q35 PolarHBondContact O-N 3.15Å; V28-I37 HydrophobicContact CB-CD1 3.75Å; V28-I37 HydrophobicContact CB-CG1 4.21Å; V28-I37 HydrophobicContact CG2-CD1 3.37Å; V28-I37 HydrophobicContact CG2-CG1 3.96Å |
| 29 | F | 41.2 | Very low | 44.1 | Very low | 130 Ų | 130 | 93.1 Ų | 93.1 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 108.9 | 173.4 | -167.3 | -99.1 | 0 | 0 | 0 | 108.7 | H33 F34 | F29-H33 WeakPolarHBondContact CA-O 3.43Å; F29-F34 AromaticContact CD2-CD2 3.96Å; F29-F34 HydrophobicContact CD2-CD2 3.96Å; F29-F34 AromaticContact CD2-CE2 3.96Å; F29-F34 HydrophobicContact CD2-CE2 3.96Å; F29-F34 HydrophobicContact CD2-CG 4.27Å; F29-F34 HydrophobicContact CD2-CZ 4.25Å; F29-F34 HydrophobicContact CE2-CD2 4.17Å; F29-F34 HydrophobicContact CE2-CE2 4.14Å |
| 30 | R | 38.4 | Very low | 43.3 | Very low | 136 Ų | 136 | 88.3 Ų | 88.3 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.9 | 179.4 | -102 | -168.4 | 171.1 | -142.4 | -0.8 | 110.3 | V28 G32 H33 | V28-R30 HydrophobicContact CG1-CG 4.24Å; R30-G32 PolarHBondContact O-N 3.18Å; R30-H33 PolarHBondContact N-O 2.89Å; R30-H33 PolarHBondContact O-N 3.39Å |
| 31 | C | 34.8 | Very low | 42.8 | Very low | 78 Ų | 78 | 89.9 Ų | 89.9 | 53% | 0.527 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35.8 | 172.8 | -53.7 | 0 | 0 | 0 | 0 | 112.9 | H33 C49 | C31-H33 PolarHBondContact O-CE1 3.21Å; C31-H33 PolarHBondContact O-ND1 3.25Å; C31-C49 HydrophobicContact CB-CB 4.34Å; C31-C49 WeakPolarHBondContact CB-SG 3.37Å; C31-C49 WeakPolarHBondContact SG-CB 3.47Å; C31-C49 CovalentContact SG-SG 2.07Å; C31-C49 PolarHBondContact SG-SG 3.11Å |
| 32 | G | 39 | Very low | 42.1 | Very low | 23 Ų | 23 | 92.1 Ų | 92.1 | 24% | 0.237 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -0.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | R30 | R30-G32 PolarHBondContact O-N 3.18Š|
| 33 | H | 41.3 | Very low | 41.5 | Very low | 102 Ų | 102 | 94.8 Ų | 94.8 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.3 | -171.3 | -60.2 | 82.8 | 0 | 0 | 0 | 110.9 | F29 R30 C31 Q35 | F29-H33 WeakPolarHBondContact CA-O 3.43Å; R30-H33 PolarHBondContact N-O 2.89Å; R30-H33 PolarHBondContact O-N 3.39Å; C31-H33 PolarHBondContact O-CE1 3.21Å; C31-H33 PolarHBondContact O-ND1 3.25Å; H33-Q35 PolarHBondContact O-N 2.8Å |
| 34 | F | 45.3 | Very low | 41 | Very low | 146 Ų | 146 | 93.9 Ų | 93.9 | 64% | 0.64 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 105.7 | 163.7 | -84.8 | -86.4 | 0 | 0 | 0 | 108 | F29 | F29-F34 AromaticContact CD2-CD2 3.96Å; F29-F34 HydrophobicContact CD2-CD2 3.96Å; F29-F34 AromaticContact CD2-CE2 3.96Å; F29-F34 HydrophobicContact CD2-CE2 3.96Å; F29-F34 HydrophobicContact CD2-CG 4.27Å; F29-F34 HydrophobicContact CD2-CZ 4.25Å; F29-F34 HydrophobicContact CE2-CD2 4.17Å; F29-F34 HydrophobicContact CE2-CE2 4.14Å |
| 35 | Q | 45.6 | Very low | 40.5 | Very low | 63 Ų | 63 | 93.5 Ų | 93.5 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.6 | 170.5 | -73 | -178.2 | -22.9 | 0 | 0 | 108.2 | Y27 V28 H33 I37 | Y27-Q35 WeakPolarHBondContact CA-O 3.36Å; V28-Q35 PolarHBondContact N-O 3.11Å; V28-Q35 PolarHBondContact O-N 3.15Å; H33-Q35 PolarHBondContact O-N 2.8Å; Q35-I37 PolarHBondContact O-N 3.09Å |
| 36 | H | 44.8 | Very low | 40.1 | Very low | 52 Ų | 52 | 96.2 Ų | 96.2 | 24% | 0.241 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 112.7 | 164.7 | -168.1 | -145 | 0 | 0 | 0 | 107.2 | S25 Y27 E38 | S25-H36 WeakPolarHBondContact CB-NE2 3.13Å; Y27-H36 HydrophobicContact CD1-CB 4.31Å; Y27-H36 AromaticContact CD1-CD2 3.99Å; Y27-H36 HydrophobicContact CE1-CB 4.02Å; Y27-H36 AromaticContact CE1-CD2 3.58Å; Y27-H36 AromaticContact CE2-CD2 3.93Å; Y27-H36 AromaticContact CZ-CD2 3.54Å; Y27-H36 AromaticContact CZ-NE2 3.94Å; H36-E38 VanDerWaalsContact CE1-CD 3.44Å; H36-E38 WeakPolarHBondContact CE1-CG 3.25Å; H36-E38 IonicContact CE1-OE1 2.81Å; H36-E38 PolarHBondContact CE1-OE1 3.34Å; H36-E38 IonicContact ND1-OE1 3.11Å; H36-E38 PolarHBondContact ND1-OE1 3.43Å; H36-E38 VanDerWaalsContact ND1-OE1 3.11Å; H36-E38 IonicContact NE2-OE1 3.96Å |
| 37 | I | 45.8 | Very low | 39.7 | Very low | 71 Ų | 71 | 98.8 Ų | 98.8 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 111.1 | 174.1 | -54.1 | -167.1 | 0 | 0 | 0 | 106.7 | G26 V28 Q35 | G26-I37 PolarHBondContact N-O 3.09Å; G26-I37 PolarHBondContact O-N 2.07Å; V28-I37 HydrophobicContact CB-CD1 3.75Å; V28-I37 HydrophobicContact CB-CG1 4.21Å; V28-I37 HydrophobicContact CG2-CD1 3.37Å; V28-I37 HydrophobicContact CG2-CG1 3.96Å; Q35-I37 PolarHBondContact O-N 3.09Å |
| 38 | E | 38.8 | Very low | 39 | Very low | 27 Ų | 27 | 99 Ų | 99 | 13% | 0.126 | 53% | 0.526 | C | S | . | . | trans | -119.1 | 117.4 | 159.2 | -38.8 | -171.2 | -163.6 | 0 | 0 | 107.3 | C15 M22 H36 | C15-E38 WeakPolarHBondContact CA-OE2 3.48Å; C15-E38 WeakPolarHBondContact CB-OE2 3.39Å; C15-E38 PolarHBondContact SG-OE2 2.93Å; M22-E38 HydrophobicContact CE-CB 3.53Å; M22-E38 HydrophobicContact CE-CG 3.2Å; M22-E38 WeakPolarHBondContact CE-OE2 3.39Å; M22-E38 WeakPolarHBondContact CG-OE2 3.45Å; M22-E38 HydrophobicContact SD-CG 3.76Å; H36-E38 VanDerWaalsContact CE1-CD 3.44Å; H36-E38 WeakPolarHBondContact CE1-CG 3.25Å; H36-E38 IonicContact CE1-OE1 2.81Å; H36-E38 PolarHBondContact CE1-OE1 3.34Å; H36-E38 IonicContact ND1-OE1 3.11Å; H36-E38 PolarHBondContact ND1-OE1 3.43Å; H36-E38 VanDerWaalsContact ND1-OE1 3.11Å; H36-E38 IonicContact NE2-OE1 3.96Å | ||
| 39 | C | 38.4 | Very low | 38.8 | Very low | 87 Ų | 87 | 99 Ų | 99 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | trans | -123.9 | 119.3 | 169.3 | -80.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 40 | S | 34.9 | Very low | 38.6 | Very low | 62 Ų | 62 | 99.5 Ų | 99.5 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | trans | -54.9 | 137.5 | 149.7 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | N42 | S40-N42 PolarHBondContact O-N 2.88Š| ||
| 41 | T | 37.8 | Very low | 38.6 | Very low | 143 Ų | 143 | 95.9 Ų | 95.9 | 88% | 0.877 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 20.3 | -166 | 45.9 | 0 | 0 | 0 | 0 | 116 | ||
| 42 | N | 36 | Very low | 38.6 | Very low | 146 Ų | 146 | 99.7 Ų | 99.7 | 78% | 0.781 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.4 | 14 | -169.4 | -119.3 | -24.1 | 0 | 0 | 0 | 115.2 | S40 | S40-N42 PolarHBondContact O-N 2.88Š|
| 43 | I | 38.4 | Very low | 38.6 | Very low | 92 Ų | 92 | 104.1 Ų | 104.1 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | trans | -127.8 | 102.5 | -177.9 | -53.5 | 176.9 | 0 | 0 | 0 | 108.5 | R45 | I43-R45 HydrophobicContact CG2-CB 3.83Å; I43-R45 VanDerWaalsContact CG2-CD 3.47Å; I43-R45 HydrophobicContact CG2-CG 3.4Å; I43-R45 PolarHBondContact O-N 3.47Å | ||
| 44 | D | 35.6 | Very low | 38.4 | Very low | 165 Ų | 165 | 103.4 Ų | 103.4 | 88% | 0.882 | 58% | 0.58 | S | S | * | * | trans | -73.4 | 61.7 | 171 | -132.8 | -12.3 | 0 | 0 | 0 | 109.1 | T46 | D44-T46 PolarHBondContact O-N 3.21Š| ||
| 45 | R | 36.9 | Very low | 37.9 | Very low | 183 Ų | 183 | 108.1 Ų | 108.1 | 69% | 0.691 | 59% | 0.593 | S | S | * | * | trans | -87.9 | 92 | 175.9 | -94.8 | 175 | -168.7 | -163.8 | -1.1 | 108.3 | I43 C47 | I43-R45 HydrophobicContact CG2-CB 3.83Å; I43-R45 VanDerWaalsContact CG2-CD 3.47Å; I43-R45 HydrophobicContact CG2-CG 3.4Å; I43-R45 PolarHBondContact O-N 3.47Å; R45-C47 PolarHBondContact O-N 3.34Å | ||
| 46 | T | 33.8 | Very low | 37.4 | Very low | 124 Ų | 124 | 112.2 Ų | 112.2 | 76% | 0.761 | 62% | 0.616 | S | S | * | * | trans | -70.5 | 107.4 | 167.9 | -23.3 | 0 | 0 | 0 | 0 | 108.3 | D44 T48 | D44-T46 PolarHBondContact O-N 3.21Å; T46-T48 PolarHBondContact O-N 2.81Å | ||
| 47 | C | 36.9 | Very low | 36.9 | Very low | 86 Ų | 86 | 112.4 Ų | 112.4 | 58% | 0.581 | 62% | 0.621 | S | S | * | * | trans | -73.8 | 109.7 | 171.9 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | R45 | R45-C47 PolarHBondContact O-N 3.34Š| ||
| 48 | T | 33.5 | Very low | 36.2 | Very low | 102 Ų | 102 | 113.6 Ų | 113.6 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | trans | -76.3 | 128.5 | 168.5 | 54.7 | 0 | 0 | 0 | 0 | 109.2 | T46 D50 | T46-T48 PolarHBondContact O-N 2.81Å; T48-D50 VanDerWaalsContact C-N 3.29Å; T48-D50 WeakPolarHBondContact CB-OD2 3.46Å; T48-D50 PolarHBondContact O-N 3.35Å; T48-D50 VanDerWaalsContact O-N 3.11Å; T48-D50 PolarHBondContact OG1-OD2 3.24Å | ||
| 49 | C | 37 | Very low | 35.9 | Very low | 62 Ų | 62 | 117.5 Ų | 117.5 | 42% | 0.419 | 66% | 0.659 | S | S | . | * | trans | -82.1 | 79.2 | 171.5 | -83.8 | 0 | 0 | 0 | 0 | 108.5 | C31 | C31-C49 HydrophobicContact CB-CB 4.34Å; C31-C49 WeakPolarHBondContact CB-SG 3.37Å; C31-C49 WeakPolarHBondContact SG-CB 3.47Å; C31-C49 CovalentContact SG-SG 2.07Å; C31-C49 PolarHBondContact SG-SG 3.11Å | ||
| 50 | D | 38.2 | Very low | 35.9 | Very low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | trans | -91.4 | 17.3 | 169.2 | -60.2 | -51 | 0 | 0 | 0 | 111.9 | T48 | T48-D50 VanDerWaalsContact C-N 3.29Å; T48-D50 WeakPolarHBondContact CB-OD2 3.46Å; T48-D50 PolarHBondContact O-N 3.35Å; T48-D50 VanDerWaalsContact O-N 3.11Å; T48-D50 PolarHBondContact OG1-OD2 3.24Å | ||
| 51 | G | 38 | Very low | 35.8 | Very low | 61 Ų | 61 | 130 Ų | 130 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -71.6 | 133.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P53 | G51-P53 WeakPolarHBondContact O-CD 3.41Å; G51-P53 VanDerWaalsContact O-N 3.15Å |
| 52 | I | 35.6 | Very low | 35.9 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | trans | -52 | 122.3 | 171.1 | -58.8 | 171.9 | 0 | 0 | 0 | 107.2 | D54 | I52-D54 VanDerWaalsContact C-N 3.35Å; I52-D54 PolarHBondContact O-N 3.01Å | ||
| 53 | P | 38.5 | Very low | 36.1 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -63.1 | 100.8 | 176.6 | 24.2 | -31.3 | 0 | 0 | 0 | 107.8 | G51 R55 | G51-P53 WeakPolarHBondContact O-CD 3.41Å; G51-P53 VanDerWaalsContact O-N 3.15Å; P53-R55 PolarHBondContact O-N 2.99Å | ||
| 54 | D | 36.6 | Very low | 36.5 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 46% | 0.46 | 70% | 0.701 | S | S | . | * | trans | -66.4 | 118.7 | 176.9 | -167.7 | -22.3 | 0 | 0 | 0 | 107.6 | I52 L56 V57 | I52-D54 VanDerWaalsContact C-N 3.35Å; I52-D54 PolarHBondContact O-N 3.01Å; D54-L56 PolarHBondContact O-N 3.19Å; D54-L56 WeakPolarHBondContact OD1-CB 3.5Å; D54-L56 PolarHBondContact OD1-N 2.83Å; D54-V57 HydrophobicContact CB-CG2 4.3Å; D54-V57 WeakPolarHBondContact O-CB 3.45Å; D54-V57 PolarHBondContact O-N 3.45Å | ||
| 55 | R | 34.7 | Very low | 36.8 | Very low | 246 Ų | 246 | 135.5 Ų | 135.5 | 93% | 0.928 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -12.4 | 179 | -71.8 | -179.1 | 168.6 | -178.7 | -3.5 | 112.5 | P53 V57 | P53-R55 PolarHBondContact O-N 2.99Å; R55-V57 VanDerWaalsContact C-N 3.29Å |
| 56 | L | 34.6 | Very low | 37.3 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -11.4 | 172.6 | -68.5 | 166.4 | 0 | 0 | 0 | 113.5 | D54 V58 | D54-L56 PolarHBondContact O-N 3.19Å; D54-L56 WeakPolarHBondContact OD1-CB 3.5Å; D54-L56 PolarHBondContact OD1-N 2.83Å; L56-V58 PolarHBondContact O-N 2.79Å |
| 57 | V | 34.8 | Very low | 37.8 | Very low | 56 Ų | 56 | 134.2 Ų | 134.2 | 34% | 0.339 | 70% | 0.701 | S | S | . | * | trans | -90.5 | 87.8 | 171.1 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | D54 R55 P59 | D54-V57 HydrophobicContact CB-CG2 4.3Å; D54-V57 WeakPolarHBondContact O-CB 3.45Å; D54-V57 PolarHBondContact O-N 3.45Å; R55-V57 VanDerWaalsContact C-N 3.29Å; V57-P59 WeakPolarHBondContact O-CD 3.5Å | ||
| 58 | V | 30.6 | Very low | 38.2 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | trans | -66.6 | 125.6 | 167.3 | -133.5 | 0 | 0 | 0 | 0 | 107.7 | L56 R60 | L56-V58 PolarHBondContact O-N 2.79Å; V58-R60 PolarHBondContact O-N 3.03Å | ||
| 59 | P | 33.3 | Very low | 38.7 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | trans | -49.4 | 145.5 | 158 | -20.3 | 31.8 | 0 | 0 | 0 | 107.7 | V57 E61 | V57-P59 WeakPolarHBondContact O-CD 3.5Å; P59-E61 PolarHBondContact O-N 2.96Å | ||
| 60 | R | 37.2 | Very low | 39.2 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | trans | -63.6 | 71.8 | -172.4 | -151.1 | -175.6 | -167.5 | 171.6 | 3.6 | 111.2 | V58 K62 | V58-R60 PolarHBondContact O-N 3.03Å; R60-K62 PolarHBondContact O-N 3.23Å; R60-K62 VanDerWaalsContact O-N 3.1Å | ||
| 61 | E | 34.7 | Very low | 39.4 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | -62.7 | 110.8 | 153 | -76.1 | -169 | 155.3 | 0 | 0 | 104.4 | P59 P63 | P59-E61 PolarHBondContact O-N 2.96Å; E61-P63 WeakPolarHBondContact O-CD 3.44Å | ||
| 62 | K | 39.9 | Very low | 39.7 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | trans | -54.6 | 109.4 | 168.5 | -89.7 | -178.6 | 175.3 | 175.7 | 0 | 105.5 | R60 D64 | R60-K62 PolarHBondContact O-N 3.23Å; R60-K62 VanDerWaalsContact O-N 3.1Å; K62-D64 PolarHBondContact O-N 3.07Å | ||
| 63 | P | 39.5 | Very low | 39.9 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 62% | 0.623 | 71% | 0.709 | S | S | * | * | trans | -70.7 | 128 | 167.8 | 18.7 | -6.1 | 0 | 0 | 0 | 105.4 | E61 R65 | E61-P63 WeakPolarHBondContact O-CD 3.44Å; P63-R65 PolarHBondContact O-N 2.85Å | ||
| 64 | D | 45.8 | Very low | 39.9 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 90% | 0.904 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -56.6 | -16.3 | 176.2 | -78.3 | -38.2 | 0 | 0 | 0 | 112.2 | K62 | K62-D64 PolarHBondContact O-N 3.07Š|
| 65 | R | 43.6 | Very low | 40.1 | Very low | 213 Ų | 213 | 149.5 Ų | 149.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -132.2 | 119.3 | 174.8 | -64.4 | -176.1 | -178.2 | 178.5 | 0.7 | 111.1 | P63 E67 | P63-R65 PolarHBondContact O-N 2.85Å; R65-E67 PolarHBondContact O-N 2.87Å; R65-E67 VanDerWaalsContact O-N 3.15Å |
| 66 | P | 46 | Very low | 40.2 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | -75.4 | 103.3 | 178.8 | 29.1 | -31.7 | 0 | 0 | 0 | 110.3 | ||||
| 67 | E | 45.4 | Very low | 40.4 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | trans | -76 | 132.3 | 161.1 | -83.9 | -175.3 | 160.7 | 0 | 0 | 110 | R65 R69 | R65-E67 PolarHBondContact O-N 2.87Å; R65-E67 VanDerWaalsContact O-N 3.15Å; E67-R69 PolarHBondContact O-N 2.93Å; E67-R69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | K | 45.2 | Very low | 40.6 | Very low | 217 Ų | 217 | 143 Ų | 143 | 94% | 0.943 | 68% | 0.683 | S | S | * | * | trans | -69.5 | 109.4 | 178.2 | -66.5 | 179.8 | -179.2 | 177.2 | 0 | 109.1 | ||||
| 69 | R | 44.3 | Very low | 40.9 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | -103.3 | 131.6 | 170 | -63.7 | -175.3 | -178.3 | -176.5 | 0.6 | 109.6 | E67 I71 | E67-R69 PolarHBondContact O-N 2.93Å; E67-R69 VanDerWaalsContact O-N 3.16Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-I71 HydrophobicContact CB-CG2 4.45Å; R69-I71 PolarHBondContact O-N 3.24Å | ||
| 70 | N | 46 | Very low | 41 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 58% | 0.578 | 68% | 0.683 | S | S | * | * | trans | -78.5 | 84.7 | 174 | -172.9 | 6.1 | 0 | 0 | 0 | 109.8 | F72 E73 | N70-F72 PolarHBondContact O-N 3.45Å; N70-F72 VanDerWaalsContact O-N 3.16Å; N70-F72 PolarHBondContact OD1-N 3.43Å; N70-E73 PolarHBondContact O-N 3.43Å | ||
| 71 | I | 44 | Very low | 40.9 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 59% | 0.585 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -11 | -176.6 | 60.4 | 172.4 | 0 | 0 | 0 | 114 | R69 | R69-I71 VanDerWaalsContact C-N 3.34Å; R69-I71 HydrophobicContact CB-CG2 4.45Å; R69-I71 PolarHBondContact O-N 3.24Å |
| 72 | F | 43.6 | Very low | 40.8 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -5.8 | -179.8 | -61.2 | -72.9 | 0 | 0 | 0 | 113.7 | N70 N74 W75 | N70-F72 PolarHBondContact O-N 3.45Å; N70-F72 VanDerWaalsContact O-N 3.16Å; N70-F72 PolarHBondContact OD1-N 3.43Å; F72-N74 PolarHBondContact O-N 2.87Å; F72-W75 PolarHBondContact O-N 2.93Å |
| 73 | E | 40 | Very low | 40.6 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 55% | 0.547 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | 121.9 | 172.7 | -166 | 172 | -163.4 | 0 | 0 | 109.4 | N70 W75 K78 | N70-E73 PolarHBondContact O-N 3.43Å; E73-W75 PolarHBondContact O-N 2.92Å; E73-K78 PolarHBondContact O-NZ 3.31Å |
| 74 | N | 38.8 | Very low | 40.4 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 51% | 0.508 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 57.6 | 40.7 | -179.7 | -46.5 | -37.6 | 0 | 0 | 0 | 113.6 | F72 D76 T77 K78 | F72-N74 PolarHBondContact O-N 2.87Å; N74-D76 VanDerWaalsContact C-N 3.27Å; N74-D76 WeakPolarHBondContact CA-OD1 3.41Å; N74-D76 PolarHBondContact O-N 3.05Å; N74-T77 HydrophobicContact CB-CG2 4.4Å; N74-T77 WeakPolarHBondContact CB-OG1 3.43Å; N74-T77 PolarHBondContact O-N 2.89Å; N74-T77 PolarHBondContact O-OG1 3.16Å; N74-K78 WeakPolarHBondContact O-CG 3.04Å |
| 75 | W | 40.9 | Very low | 39.6 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 58% | 0.58 | 67% | 0.673 | S | S | * | * | trans | -65.3 | -32.7 | -179.8 | 88.7 | -80.8 | 0 | 0 | 0 | 112.7 | F72 E73 T77 K78 L79 | F72-W75 PolarHBondContact O-N 2.93Å; E73-W75 PolarHBondContact O-N 2.92Å; W75-T77 VanDerWaalsContact C-N 3.31Å; W75-T77 PolarHBondContact O-N 3.3Å; W75-K78 WeakPolarHBondContact O-CB 3.46Å; W75-K78 PolarHBondContact O-N 3.43Å; W75-K78 VanDerWaalsContact O-N 3.09Å; W75-L79 HydrophobicContact CE3-CD1 3.94Å; W75-L79 HydrophobicContact CE3-CG 4.15Å; W75-L79 HydrophobicContact CH2-CD1 3.72Å; W75-L79 HydrophobicContact CZ3-CD1 3.35Å; W75-L79 HydrophobicContact CZ3-CD2 4.16Å; W75-L79 HydrophobicContact CZ3-CG 3.92Å | ||
| 76 | D | 36.8 | Very low | 39.5 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 56% | 0.561 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -62.3 | -35.9 | 176.2 | 56.9 | -52.4 | 0 | 0 | 0 | 111.8 | N74 K78 | N74-D76 VanDerWaalsContact C-N 3.27Å; N74-D76 WeakPolarHBondContact CA-OD1 3.41Å; N74-D76 PolarHBondContact O-N 3.05Å; D76-K78 VanDerWaalsContact C-N 3.27Å; D76-K78 PolarHBondContact O-N 2.99Å |
| 77 | T | 38.6 | Very low | 39.5 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 57% | 0.571 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -78.3 | -11.2 | 175.5 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | N74 W75 | N74-T77 HydrophobicContact CB-CG2 4.4Å; N74-T77 WeakPolarHBondContact CB-OG1 3.43Å; N74-T77 PolarHBondContact O-N 2.89Å; N74-T77 PolarHBondContact O-OG1 3.16Å; W75-T77 VanDerWaalsContact C-N 3.31Å; W75-T77 PolarHBondContact O-N 3.3Å |
| 78 | K | 37.9 | Very low | 39.4 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 50% | 0.5 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -95.7 | -7.2 | -178.2 | -69.7 | 167.3 | 179.4 | 158 | 0 | 113.1 | E73 N74 W75 D76 N80 | E73-K78 PolarHBondContact O-NZ 3.31Å; N74-K78 WeakPolarHBondContact O-CG 3.04Å; W75-K78 WeakPolarHBondContact O-CB 3.46Å; W75-K78 PolarHBondContact O-N 3.43Å; W75-K78 VanDerWaalsContact O-N 3.09Å; D76-K78 VanDerWaalsContact C-N 3.27Å; D76-K78 PolarHBondContact O-N 2.99Å; K78-N80 PolarHBondContact O-N 2.64Å; K78-N80 VanDerWaalsContact O-N 3.09Å |
| 79 | L | 37.3 | Very low | 38.9 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 50% | 0.503 | 70% | 0.701 | S | S | . | * | trans | -79.9 | 81 | 173.8 | -73.5 | 172.4 | 0 | 0 | 0 | 110.7 | W75 C81 | W75-L79 HydrophobicContact CE3-CD1 3.94Å; W75-L79 HydrophobicContact CE3-CG 4.15Å; W75-L79 HydrophobicContact CH2-CD1 3.72Å; W75-L79 HydrophobicContact CZ3-CD1 3.35Å; W75-L79 HydrophobicContact CZ3-CD2 4.16Å; W75-L79 HydrophobicContact CZ3-CG 3.92Å; L79-C81 PolarHBondContact O-N 3.5Å | ||
| 80 | N | 35.4 | Very low | 38.6 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -80.8 | 52.5 | 170.7 | -80.4 | -45.7 | 0 | 0 | 0 | 112.1 | K78 R82 | K78-N80 PolarHBondContact O-N 2.64Å; K78-N80 VanDerWaalsContact O-N 3.09Å; N80-R82 PolarHBondContact O-N 3.03Å; N80-R82 VanDerWaalsContact O-N 3.1Å | ||
| 81 | C | 34.3 | Very low | 38.3 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 70% | 0.703 | 71% | 0.706 | S | S | * | * | trans | -78.5 | 91.7 | 171.7 | -66.3 | 0 | 0 | 0 | 0 | 108.9 | L79 V83 | L79-C81 PolarHBondContact O-N 3.5Å; C81-V83 PolarHBondContact O-N 2.77Å | ||
| 82 | R | 33.5 | Very low | 37.9 | Very low | 213 Ų | 213 | 136.8 Ų | 136.8 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -72 | 119.5 | 168.9 | -74.3 | -174 | 178.4 | -179.1 | -0 | 109.2 | N80 F84 | N80-R82 PolarHBondContact O-N 3.03Å; N80-R82 VanDerWaalsContact O-N 3.1Å; R82-F84 PolarHBondContact O-N 3.1Å | ||
| 83 | V | 34.9 | Very low | 37.6 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | trans | -75 | 111.6 | 168.9 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | C81 | C81-V83 PolarHBondContact O-N 2.77Š| ||
| 84 | F | 35.3 | Very low | 37.4 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 77% | 0.768 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 129.6 | 168.3 | -67.2 | -83.9 | 0 | 0 | 0 | 108.2 | R82 K86 | R82-F84 PolarHBondContact O-N 3.1Å; F84-K86 PolarHBondContact O-N 3.16Å |
| 85 | P | 29.8 | Very low | 37.4 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 134.9 | 171.9 | 23.5 | -29.4 | 0 | 0 | 0 | 108.3 | D87 | P85-D87 PolarHBondContact O-N 3.31Å; P85-D87 VanDerWaalsContact O-N 3.14Å |
| 86 | K | 42.4 | Very low | 37.1 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 120 | 165.6 | -92.4 | -178.2 | 174.4 | 176.8 | 0 | 106.1 | F84 S88 | F84-K86 PolarHBondContact O-N 3.16Å; K86-S88 PolarHBondContact O-N 2.95Å |
| 87 | D | 44.2 | Very low | 37.1 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -42.3 | 118 | 175.5 | -65.3 | -53.9 | 0 | 0 | 0 | 109.5 | P85 S89 | P85-D87 PolarHBondContact O-N 3.31Å; P85-D87 VanDerWaalsContact O-N 3.14Å; D87-S89 PolarHBondContact O-N 3.15Å | ||
| 88 | S | 43.7 | Very low | 37 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -82.1 | 101.3 | 168.9 | 48 | 0 | 0 | 0 | 0 | 107.8 | K86 | K86-S88 PolarHBondContact O-N 2.95Š| ||
| 89 | S | 35.4 | Very low | 36.9 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 100% | 1.336 | 82% | 0.815 | S | S | * | * | trans | 102 | 0 | 168.4 | -44.4 | 0 | 0 | 0 | 0 | 116.3 | D87 | D87-S89 PolarHBondContact O-N 3.15Š|
Retrieved 89 of 89 residues in 37.2 ms
(Link to these results)