| 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 | 58.4 | Low | 70.4 | Confident | 214 Ų | 214 | 110.2 Ų | 110.2 | 100% | 1.054 | 61% | 0.605 | S | S | * | * | 0 | -31.9 | 0 | -57.8 | -173.3 | 91.2 | 0 | 0 | 113.7 | T3 | M1-T3 PolarHBondContact O-N 3.46Š| |||
| 2 | K | 62.8 | Low | 69.9 | Low | 191 Ų | 191 | 113.5 Ų | 113.5 | 83% | 0.83 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.8 | -36.8 | 179.3 | -72.4 | 177.7 | 170.5 | 176.1 | 0 | 115 | S5 A6 | K2-S5 PolarHBondContact O-N 3.27Å; K2-A6 PolarHBondContact O-N 3.37Å; K2-A6 VanDerWaalsContact O-N 3.12Å |
| 3 | T | 69.6 | Low | 69.4 | Low | 101 Ų | 101 | 114.8 Ų | 114.8 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.2 | -40.3 | -178 | 48.3 | 0 | 0 | 0 | 0 | 112.8 | M1 S5 A6 L7 | M1-T3 PolarHBondContact O-N 3.46Å; T3-S5 VanDerWaalsContact C-N 3.32Å; T3-S5 PolarHBondContact O-N 3.42Å; T3-A6 PolarHBondContact O-N 3.5Å; T3-L7 WeakPolarHBondContact O-CD1 3.36Å; T3-L7 PolarHBondContact O-N 3Å |
| 4 | V | 73.3 | Confident | 68.8 | Low | 87 Ų | 87 | 116.9 Ų | 116.9 | 53% | 0.527 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -61.6 | -42.6 | 176 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | A6 L7 L8 | V4-A6 PolarHBondContact O-N 3.28Å; V4-L7 PolarHBondContact O-N 3.12Å; V4-L8 HydrophobicContact CG1-CD1 3.87Å; V4-L8 WeakPolarHBondContact O-CD1 3.42Å; V4-L8 PolarHBondContact O-N 3.13Å |
| 5 | S | 73.8 | Confident | 67.8 | Low | 70 Ų | 70 | 112.3 Ų | 112.3 | 49% | 0.49 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.1 | -39.4 | 177.9 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | K2 T3 L8 L9 | K2-S5 PolarHBondContact O-N 3.27Å; T3-S5 VanDerWaalsContact C-N 3.32Å; T3-S5 PolarHBondContact O-N 3.42Å; S5-L8 PolarHBondContact O-N 3.05Å; S5-L9 WeakPolarHBondContact O-CD1 3.43Å; S5-L9 PolarHBondContact O-N 3.46Å; S5-L9 VanDerWaalsContact O-N 3.13Å |
| 6 | A | 74.6 | Confident | 67 | Low | 47 Ų | 47 | 112.5 Ų | 112.5 | 39% | 0.388 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.5 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | K2 T3 V4 L8 L9 L10 | K2-A6 PolarHBondContact O-N 3.37Å; K2-A6 VanDerWaalsContact O-N 3.12Å; T3-A6 PolarHBondContact O-N 3.5Å; V4-A6 PolarHBondContact O-N 3.28Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.32Å; A6-L9 PolarHBondContact O-N 2.98Å; A6-L10 WeakPolarHBondContact O-CD1 3.41Å; A6-L10 PolarHBondContact O-N 3.49Å |
| 7 | L | 77.1 | Confident | 66.2 | Low | 117 Ų | 117 | 115.4 Ų | 115.4 | 61% | 0.613 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.3 | -38.1 | 176.8 | -80 | 150.5 | 0 | 0 | 0 | 112.5 | T3 V4 L10 S11 | T3-L7 WeakPolarHBondContact O-CD1 3.36Å; T3-L7 PolarHBondContact O-N 3Å; V4-L7 PolarHBondContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-S11 PolarHBondContact O-N 3.2Å; L7-S11 VanDerWaalsContact O-N 3.08Å; L7-S11 PolarHBondContact O-OG 3.45Å |
| 8 | L | 76.4 | Confident | 65.5 | Low | 100 Ų | 100 | 116.2 Ų | 116.2 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.3 | -35.3 | 174.7 | -97 | 131 | 0 | 0 | 0 | 113.2 | V4 S5 A6 S11 M12 | V4-L8 HydrophobicContact CG1-CD1 3.87Å; V4-L8 WeakPolarHBondContact O-CD1 3.42Å; V4-L8 PolarHBondContact O-N 3.13Å; S5-L8 PolarHBondContact O-N 3.05Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.32Å; L8-S11 WeakPolarHBondContact CA-OG 3.43Å; L8-S11 PolarHBondContact O-OG 3.02Å; L8-M12 WeakPolarHBondContact O-CG 3.49Å; L8-M12 PolarHBondContact O-N 3.48Å |
| 9 | L | 71.1 | Confident | 64.6 | Low | 114 Ų | 114 | 116.5 Ų | 116.5 | 60% | 0.597 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.1 | -41.6 | 174.5 | -80.7 | 151.1 | 0 | 0 | 0 | 111.3 | S5 A6 M12 L13 | S5-L9 WeakPolarHBondContact O-CD1 3.43Å; S5-L9 PolarHBondContact O-N 3.46Å; S5-L9 VanDerWaalsContact O-N 3.13Å; A6-L9 PolarHBondContact O-N 2.98Å; L9-M12 PolarHBondContact O-N 3.43Å; L9-L13 PolarHBondContact O-N 3.42Å |
| 10 | L | 69.6 | Low | 63.7 | Low | 103 Ų | 103 | 115.9 Ų | 115.9 | 54% | 0.539 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -63.8 | -40.2 | 177.5 | -84.5 | 150.3 | 0 | 0 | 0 | 112.6 | A6 L7 M12 L13 L14 | A6-L10 WeakPolarHBondContact O-CD1 3.41Å; A6-L10 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 3.35Å; L10-M12 VanDerWaalsContact C-N 3.3Å; L10-M12 PolarHBondContact O-N 3.2Å; L10-L13 WeakPolarHBondContact O-CB 3.45Å; L10-L13 PolarHBondContact O-N 3.08Å; L10-L14 WeakPolarHBondContact O-CD1 3.47Å; L10-L14 PolarHBondContact O-N 3.36Å |
| 11 | S | 68.1 | Low | 63.2 | Low | 68 Ų | 68 | 113.4 Ų | 113.4 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68 | -27.8 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | L7 L8 L14 | L7-S11 PolarHBondContact O-N 3.2Å; L7-S11 VanDerWaalsContact O-N 3.08Å; L7-S11 PolarHBondContact O-OG 3.45Å; L8-S11 WeakPolarHBondContact CA-OG 3.43Å; L8-S11 PolarHBondContact O-OG 3.02Å; S11-L14 PolarHBondContact O-N 3.36Å |
| 12 | M | 64 | Low | 63 | Low | 150 Ų | 150 | 108.1 Ų | 108.1 | 74% | 0.739 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.4 | -32.8 | 172.1 | -65.8 | -135.8 | -150 | 0 | 0 | 112.7 | L8 L9 L10 L14 G15 | L8-M12 WeakPolarHBondContact O-CG 3.49Å; L8-M12 PolarHBondContact O-N 3.48Å; L9-M12 PolarHBondContact O-N 3.43Å; L10-M12 VanDerWaalsContact C-N 3.3Å; L10-M12 PolarHBondContact O-N 3.2Å; M12-L14 VanDerWaalsContact C-N 3.33Å; M12-G15 PolarHBondContact O-N 3.49Å |
| 13 | L | 63 | Low | 62.8 | Low | 130 Ų | 130 | 107.9 Ų | 107.9 | 68% | 0.681 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.3 | -28.7 | 177.2 | -79 | 143.9 | 0 | 0 | 0 | 112.9 | L9 L10 G15 | L9-L13 PolarHBondContact O-N 3.42Å; L10-L13 WeakPolarHBondContact O-CB 3.45Å; L10-L13 PolarHBondContact O-N 3.08Å; L13-G15 VanDerWaalsContact C-N 3.25Å; L13-G15 PolarHBondContact O-N 3.44Å |
| 14 | L | 62.2 | Low | 62.7 | Low | 145 Ų | 145 | 107.8 Ų | 107.8 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -9.5 | 177.4 | -77.9 | 143.7 | 0 | 0 | 0 | 113.3 | L10 S11 M12 | L10-L14 WeakPolarHBondContact O-CD1 3.47Å; L10-L14 PolarHBondContact O-N 3.36Å; S11-L14 PolarHBondContact O-N 3.36Å; M12-L14 VanDerWaalsContact C-N 3.33Å |
| 15 | G | 53.2 | Low | 63.1 | Low | 48 Ų | 48 | 108.3 Ų | 108.3 | 50% | 0.495 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.7 | 1.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | M12 L13 H17 | M12-G15 PolarHBondContact O-N 3.49Å; L13-G15 VanDerWaalsContact C-N 3.25Å; L13-G15 PolarHBondContact O-N 3.44Å; G15-H17 PolarHBondContact O-N 2.89Å |
| 16 | T | 55.6 | Low | 63.7 | Low | 115 Ų | 115 | 107.8 Ų | 107.8 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | trans | -78.3 | 74.6 | 172.3 | 59.1 | 0 | 0 | 0 | 0 | 109.3 | T18 | T16-T18 PolarHBondContact O-N 3.02Š| ||
| 17 | H | 51.9 | Low | 64.3 | Low | 162 Ų | 162 | 110 Ų | 110 | 75% | 0.75 | 61% | 0.613 | S | S | * | * | trans | -59.6 | 110.1 | 160 | -73.7 | -74.4 | 0 | 0 | 0 | 106.8 | G15 V19 | G15-H17 PolarHBondContact O-N 2.89Å; H17-V19 PolarHBondContact O-N 3.15Å | ||
| 18 | T | 55.1 | Low | 64.8 | Low | 130 Ų | 130 | 111 Ų | 111 | 80% | 0.798 | 61% | 0.613 | S | S | * | * | trans | -64.1 | 89.4 | 166.2 | 54 | 0 | 0 | 0 | 0 | 106.3 | T16 P20 | T16-T18 PolarHBondContact O-N 3.02Å; T18-P20 WeakPolarHBondContact O-CD 3.33Å; T18-P20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | V | 47.8 | Very low | 65.2 | Low | 122 Ų | 122 | 111.1 Ų | 111.1 | 74% | 0.739 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 119.9 | 169.2 | 179.4 | 0 | 0 | 0 | 0 | 104.9 | H17 S21 | H17-V19 PolarHBondContact O-N 3.15Å; V19-S21 PolarHBondContact O-N 3.09Å |
| 20 | P | 47.4 | Very low | 65.9 | Low | 103 Ų | 103 | 109 Ų | 109 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 119.7 | 175.5 | -20.2 | 30.6 | 0 | 0 | 0 | 106.4 | T18 P22 | T18-P20 WeakPolarHBondContact O-CD 3.33Å; T18-P20 VanDerWaalsContact O-N 3.09Å; P20-P22 VanDerWaalsContact O-N 3.14Å |
| 21 | S | 52.6 | Low | 66.4 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -48.1 | 128.2 | 169.4 | 177.6 | 0 | 0 | 0 | 0 | 106.1 | V19 R23 | V19-S21 PolarHBondContact O-N 3.09Å; S21-R23 PolarHBondContact O-N 3.29Å |
| 22 | P | 54.8 | Low | 66.7 | Low | 104 Ų | 104 | 111.3 Ų | 111.3 | 68% | 0.675 | 60% | 0.596 | S | S | * | * | trans | -49.9 | 112.8 | -178.5 | 18.8 | -29.9 | 0 | 0 | 0 | 106.2 | P20 L24 | P20-P22 VanDerWaalsContact O-N 3.14Å; P22-L24 PolarHBondContact O-N 2.79Å | ||
| 23 | R | 56.7 | Low | 67.1 | Low | 185 Ų | 185 | 111.1 Ų | 111.1 | 70% | 0.698 | 60% | 0.598 | S | S | * | * | trans | -64 | 90.8 | -174.6 | -70.5 | -172.6 | -172.9 | -109.3 | 1.3 | 106.5 | S21 S25 D80 | S21-R23 PolarHBondContact O-N 3.29Å; R23-S25 PolarHBondContact O-N 3.24Å; R23-S25 VanDerWaalsContact O-N 3.14Å; R23-D80 IonicContact CZ-OD2 3.81Å; R23-D80 IonicContact NH1-OD2 2.82Å; R23-D80 PolarHBondContact NH1-OD2 3.32Å | ||
| 24 | L | 68.8 | Low | 67.6 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 52% | 0.524 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 122 | 176.4 | -76.4 | 161.6 | 0 | 0 | 0 | 105.5 | P22 I65 P78 | P22-L24 PolarHBondContact O-N 2.79Å; L24-I65 HydrophobicContact CB-CD1 4.28Å; L24-I65 HydrophobicContact CD1-CD1 4.1Å; L24-P78 HydrophobicContact CB-CG 4.38Å; L24-P78 WeakPolarHBondContact O-CD 3.4Å; L24-P78 WeakPolarHBondContact O-CG 3.33Å |
| 25 | S | 81.4 | Confident | 68.1 | Low | 98 Ų | 98 | 105 Ų | 105 | 69% | 0.685 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 156.6 | 174.8 | 52.5 | 0 | 0 | 0 | 0 | 109.9 | R23 Y27 | R23-S25 PolarHBondContact O-N 3.24Å; R23-S25 VanDerWaalsContact O-N 3.14Å; S25-Y27 PolarHBondContact O-N 2.66Å |
| 26 | C | 87.6 | Confident | 69 | Low | 59 Ų | 59 | 103 Ų | 103 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 142.4 | 170 | -66.9 | 0 | 0 | 0 | 0 | 110.9 | L75 C76 C77 | C26-L75 HydrophobicContact CB-CD1 4.39Å; C26-C76 CarbonylContact C-O 3.54Å; C26-C76 WeakPolarHBondContact CA-O 3.43Å; C26-C77 HydrophobicContact CB-CB 4.13Å; C26-C77 WeakPolarHBondContact CB-SG 3.03Å; C26-C77 WeakPolarHBondContact SG-CB 3.49Å; C26-C77 CovalentContact SG-SG 2.03Å; C26-C77 PolarHBondContact SG-SG 3.03Å |
| 27 | Y | 86 | Confident | 69.8 | Low | 94 Ų | 94 | 104.6 Ų | 104.6 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 153.8 | 175.5 | 66.2 | -88.6 | 0 | 0 | 0 | 111.1 | S25 C76 | S25-Y27 PolarHBondContact O-N 2.66Å; Y27-C76 HydrophobicContact CD1-CB 4.07Å; Y27-C76 HydrophobicContact CD2-CB 4.19Å; Y27-C76 HydrophobicContact CE1-CB 3.55Å; Y27-C76 HydrophobicContact CE2-CB 3.68Å; Y27-C76 HydrophobicContact CG-CB 4.37Å; Y27-C76 PolarHBondContact N-O 2.96Å; Y27-C76 PolarHBondContact O-N 3.16Å |
| 28 | K | 87.8 | Confident | 70.6 | Confident | 138 Ų | 138 | 100.4 Ų | 100.4 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 146.7 | 175.1 | -70.8 | -178.5 | 168 | -137.2 | 0 | 110.7 | E73 L74 L75 | K28-E73 WeakPolarHBondContact CD-OE1 2.8Å; K28-E73 WeakPolarHBondContact CE-OE1 2.95Å; K28-E73 IonicContact NZ-OE1 2.77Å; K28-E73 PolarHBondContact NZ-OE1 2.65Å; K28-L74 CarbonylContact C-O 3.58Å; K28-L74 VanDerWaalsContact CA-O 3.26Å; K28-L74 WeakPolarHBondContact CA-O 3.45Å; K28-L75 HydrophobicContact CG-CD1 4.07Å |
| 29 | R | 84.8 | Confident | 71.4 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 127.8 | 175.9 | -175.2 | 177.6 | -171.7 | 161.7 | 2.7 | 111 | L74 | R29-L74 HydrophobicContact CB-CB 4.39Å; R29-L74 PolarHBondContact N-O 2.77Å; R29-L74 PolarHBondContact O-N 3.24Å |
| 30 | A | 84.9 | Confident | 72.3 | Confident | 69 Ų | 69 | 91.3 Ų | 91.3 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 138.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | T72 | A30-T72 CarbonylContact C-O 3.58Å; A30-T72 WeakPolarHBondContact CA-O 3.01Å |
| 31 | L | 80.9 | Confident | 72.9 | Confident | 5 Ų | 5 | 95.8 Ų | 95.8 | 3% | 0.026 | 49% | 0.488 | C | S | . | . | trans | -89.2 | 0.3 | 177.4 | -70.6 | 176.9 | 0 | 0 | 0 | 113.6 | D33 H34 I39 L43 C69 T72 L74 | L31-D33 PolarHBondContact O-N 3.24Å; L31-H34 HydrophobicContact CB-CB 4.29Å; L31-H34 WeakPolarHBondContact CB-O 3.18Å; L31-H34 PolarHBondContact O-N 2Å; L31-I39 HydrophobicContact CD1-CD1 3.95Å; L31-I39 HydrophobicContact CD1-CG1 4.05Å; L31-I39 HydrophobicContact CD2-CD1 4.29Å; L31-I39 HydrophobicContact CD2-CG1 4.4Å; L31-I39 HydrophobicContact CD2-CG2 4.33Å; L31-L43 HydrophobicContact CD2-CD2 3.49Å; L31-L43 VanDerWaalsContact CD2-CD2 3.49Å; L31-C69 VanDerWaalsContact CD1-SG 3.57Å; L31-T72 WeakPolarHBondContact CB-O 2.95Å; L31-T72 PolarHBondContact N-O 3.18Å; L31-L74 HydrophobicContact CD1-CD2 4.43Å; L31-L74 HydrophobicContact CD1-CG 4.07Å; L31-L74 HydrophobicContact CD2-CD1 3.64Å; L31-L74 HydrophobicContact CD2-CG 4.05Å; L31-L74 HydrophobicContact CG-CD1 4.21Å; L31-L74 HydrophobicContact CG-CG 4.05Å | ||
| 32 | R | 75.1 | Confident | 73.2 | Confident | 215 Ų | 215 | 95.3 Ų | 95.3 | 81% | 0.811 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | -90.7 | -178.8 | -73.5 | -167.7 | 174.3 | -152.3 | -0.2 | 113.5 | ||
| 33 | D | 71.9 | Confident | 73.6 | Confident | 147 Ų | 147 | 92.7 Ų | 92.7 | 79% | 0.786 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1.3 | -171.1 | -52.7 | -51.3 | 0 | 0 | 0 | 112.8 | L31 | L31-D33 PolarHBondContact O-N 3.24Š|
| 34 | H | 72.4 | Confident | 73.8 | Confident | 71 Ų | 71 | 85.6 Ų | 85.6 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | trans | -116.6 | 153.8 | -178.2 | -54.1 | -68.2 | 0 | 0 | 0 | 111.8 | L31 P40 | L31-H34 HydrophobicContact CB-CB 4.29Å; L31-H34 WeakPolarHBondContact CB-O 3.18Å; L31-H34 PolarHBondContact O-N 2Å; H34-P40 VanDerWaalsContact CE1-CG 3.44Å; H34-P40 WeakPolarHBondContact CE1-CG 3.2Å | ||
| 35 | N | 72.8 | Confident | 74.1 | Confident | 76 Ų | 76 | 84.4 Ų | 84.4 | 41% | 0.406 | 45% | 0.449 | S | S | . | . | trans | -118.8 | 170 | 173.8 | 67.2 | 38.6 | 0 | 0 | 0 | 110.1 | H37 S38 F71 | N35-H37 PolarHBondContact O-N 3.36Å; N35-H37 WeakPolarHBondContact OD1-CB 3.43Å; N35-H37 PolarHBondContact OD1-N 2.83Å; N35-S38 CarbonylContact O-C 3.51Å; N35-S38 PolarHBondContact O-N 3.06Å; N35-S38 VanDerWaalsContact O-N 3.16Å; N35-F71 WeakPolarHBondContact CA-O 3.03Å | ||
| 36 | C | 72.5 | Confident | 74 | Confident | 6 Ų | 6 | 80.2 Ų | 80.2 | 4% | 0.041 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -11.1 | -176 | -53.6 | 0 | 0 | 0 | 0 | 115.7 | C69 F71 | C36-C69 WeakPolarHBondContact CA-SG 3.25Å; C36-C69 HydrophobicContact CB-CB 3.65Å; C36-C69 WeakPolarHBondContact CB-SG 3.29Å; C36-C69 WeakPolarHBondContact SG-CB 3.07Å; C36-C69 PolarHBondContact SG-O 3Å; C36-C69 VanDerWaalsContact SG-O 3.41Å; C36-C69 CovalentContact SG-SG 2.02Å; C36-C69 PolarHBondContact SG-SG 2.04Å; C36-F71 PolarHBondContact N-O 3.48Å; C36-F71 PolarHBondContact SG-N 2.98Å; C36-F71 VanDerWaalsContact SG-N 3.44Å; C36-F71 PolarHBondContact SG-O 2.75Å |
| 37 | H | 72.5 | Confident | 73.7 | Confident | 147 Ų | 147 | 82.9 Ų | 82.9 | 68% | 0.681 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -19.7 | -179.8 | -63.1 | 61.7 | 0 | 0 | 0 | 112.4 | N35 | N35-H37 PolarHBondContact O-N 3.36Å; N35-H37 WeakPolarHBondContact OD1-CB 3.43Å; N35-H37 PolarHBondContact OD1-N 2.83Å |
| 38 | S | 69 | Low | 73.4 | Confident | 75 Ų | 75 | 82.2 Ų | 82.2 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | trans | -155.4 | 86.3 | 178.2 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | N35 P40 | N35-S38 CarbonylContact O-C 3.51Å; N35-S38 PolarHBondContact O-N 3.06Å; N35-S38 VanDerWaalsContact O-N 3.16Å; S38-P40 WeakPolarHBondContact O-CD 3.05Å | ||
| 39 | I | 71.3 | Confident | 72.8 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 121.3 | 165.7 | -56.1 | -176.6 | 0 | 0 | 0 | 106.8 | L31 E41 L43 W58 L74 | L31-I39 HydrophobicContact CD1-CD1 3.95Å; L31-I39 HydrophobicContact CD1-CG1 4.05Å; L31-I39 HydrophobicContact CD2-CD1 4.29Å; L31-I39 HydrophobicContact CD2-CG1 4.4Å; L31-I39 HydrophobicContact CD2-CG2 4.33Å; I39-E41 PolarHBondContact O-N 3.11Å; I39-L43 HydrophobicContact CG2-CB 3.94Å; I39-L43 HydrophobicContact CG2-CD2 3.92Å; I39-W58 HydrophobicContact CB-CD2 4.47Å; I39-W58 HydrophobicContact CB-CE3 4.2Å; I39-W58 HydrophobicContact CB-CH2 3.68Å; I39-W58 HydrophobicContact CB-CZ2 3.95Å; I39-W58 HydrophobicContact CB-CZ3 3.81Å; I39-W58 HydrophobicContact CD1-CD2 3.62Å; I39-W58 VanDerWaalsContact CD1-CE2 3.45Å; I39-W58 HydrophobicContact CD1-CE3 4.13Å; I39-W58 HydrophobicContact CD1-CG 3.96Å; I39-W58 HydrophobicContact CD1-CH2 4.39Å; I39-W58 HydrophobicContact CD1-CZ2 3.89Å; I39-W58 HydrophobicContact CD1-CZ3 4.49Å; I39-W58 HydrophobicContact CG1-CD2 4.24Å; I39-W58 HydrophobicContact CG1-CE3 4.47Å; I39-W58 HydrophobicContact CG1-CH2 3.94Å; I39-W58 HydrophobicContact CG1-CZ2 3.64Å; I39-W58 HydrophobicContact CG1-CZ3 4.33Å; I39-L74 HydrophobicContact CD1-CD1 4.18Å; I39-L74 HydrophobicContact CD1-CD2 3.78Å; I39-L74 HydrophobicContact CD1-CG 4.38Å |
| 40 | P | 67.4 | Low | 71.9 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 134.7 | -178.2 | -22.3 | 30.4 | 0 | 0 | 0 | 111.3 | H34 S38 G42 L43 | H34-P40 VanDerWaalsContact CE1-CG 3.44Å; H34-P40 WeakPolarHBondContact CE1-CG 3.2Å; S38-P40 WeakPolarHBondContact O-CD 3.05Å; P40-G42 PolarHBondContact O-N 3.1Å; P40-L43 WeakPolarHBondContact O-CB 2.97Å; P40-L43 PolarHBondContact O-N 3.05Å |
| 41 | E | 60.3 | Low | 70.8 | Confident | 197 Ų | 197 | 80.8 Ų | 80.8 | 92% | 0.921 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 125.5 | 171.4 | -70 | -171.6 | 168.5 | 0 | 0 | 109.5 | I39 | I39-E41 PolarHBondContact O-N 3.11Š|
| 42 | G | 57.7 | Low | 69.9 | Low | 55 Ų | 55 | 85 Ų | 85 | 57% | 0.567 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | -15.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P40 A44 | P40-G42 PolarHBondContact O-N 3.1Å; G42-A44 PolarHBondContact O-N 3.16Å |
| 43 | L | 63.3 | Low | 69.3 | Low | 49 Ų | 49 | 76.5 Ų | 76.5 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -70 | 100 | 165.9 | -157 | 80 | 0 | 0 | 0 | 108.2 | L31 I39 P40 N45 L46 | L31-L43 HydrophobicContact CD2-CD2 3.49Å; L31-L43 VanDerWaalsContact CD2-CD2 3.49Å; I39-L43 HydrophobicContact CG2-CB 3.94Å; I39-L43 HydrophobicContact CG2-CD2 3.92Å; P40-L43 WeakPolarHBondContact O-CB 2.97Å; P40-L43 PolarHBondContact O-N 3.05Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.81Å; L43-L46 PolarHBondContact O-N 2.87Å |
| 44 | A | 62.3 | Low | 69 | Low | 35 Ų | 35 | 76.5 Ų | 76.5 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 12.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | G42 L46 | G42-A44 PolarHBondContact O-N 3.16Å; A44-L46 HydrophobicContact CB-CD1 3.95Å; A44-L46 HydrophobicContact CB-CG 3.82Å; A44-L46 PolarHBondContact O-N 3.01Å |
| 45 | N | 73.9 | Confident | 68.8 | Low | 75 Ų | 75 | 77.2 Ų | 77.2 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38.7 | -172.4 | -51.2 | -71.4 | 0 | 0 | 0 | 112 | L43 R61 | L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.81Å; N45-R61 HydrophobicContact CB-CG 4.27Å; N45-R61 PolarHBondContact ND2-NH2 2.82Å; N45-R61 VanDerWaalsContact ND2-NH2 3.16Å |
| 46 | L | 79.8 | Confident | 69.2 | Low | 10 Ų | 10 | 76.5 Ų | 76.5 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | trans | -85 | 140.4 | 176.3 | -65.2 | 172.7 | 0 | 0 | 0 | 109.8 | L43 A44 W58 E59 C67 L74 | L43-L46 PolarHBondContact O-N 2.87Å; A44-L46 HydrophobicContact CB-CD1 3.95Å; A44-L46 HydrophobicContact CB-CG 3.82Å; A44-L46 PolarHBondContact O-N 3.01Å; L46-W58 HydrophobicContact CB-CB 4.28Å; L46-W58 HydrophobicContact CB-CE3 4.13Å; L46-E59 CarbonylContact C-O 3.49Å; L46-E59 VanDerWaalsContact CA-O 3.25Å; L46-E59 WeakPolarHBondContact CA-O 3.17Å; L46-C67 HydrophobicContact CD2-CB 4.47Å; L46-C67 VanDerWaalsContact CD2-SG 3.53Å; L46-L74 HydrophobicContact CD1-CD1 3.6Å | ||
| 47 | R | 81.1 | Confident | 69.7 | Low | 116 Ų | 116 | 78 Ų | 78 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.9 | 173.8 | -66.1 | 178.2 | 173.5 | 179.7 | -5.1 | 108.5 | I49 W58 E59 | R47-I49 PolarHBondContact O-N 3.1Å; R47-W58 VanDerWaalsContact C-CE3 3.5Å; R47-W58 CarbonylContact O-C 3.58Å; R47-W58 WeakPolarHBondContact O-CA 3.12Å; R47-E59 HydrophobicContact CB-CG 4Å; R47-E59 PolarHBondContact N-O 2.99Å; R47-E59 PolarHBondContact O-N 3.47Å |
| 48 | Q | 79.2 | Confident | 70.2 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.7 | 175.5 | -165.1 | 173.4 | -12.8 | 0 | 0 | 109.2 | D55 W58 | Q48-D55 PolarHBondContact NE2-OD1 2.74Å; Q48-W58 HydrophobicContact CB-CE3 4.4Å; Q48-W58 HydrophobicContact CB-CH2 4.49Å; Q48-W58 HydrophobicContact CB-CZ3 4.32Å |
| 49 | I | 75.9 | Confident | 70.9 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | trans | -72.1 | 137.9 | 172.1 | -55.5 | -176.7 | 0 | 0 | 0 | 107.1 | R47 L53 F57 E59 I66 I91 P92 | R47-I49 PolarHBondContact O-N 3.1Å; I49-L53 HydrophobicContact CB-CD1 4.42Å; I49-L53 HydrophobicContact CG2-CD1 3.7Å; I49-F57 HydrophobicContact CB-CB 4.37Å; I49-F57 HydrophobicContact CD1-CB 4.08Å; I49-F57 HydrophobicContact CG1-CB 4.38Å; I49-F57 PolarHBondContact N-O 3.47Å; I49-F57 VanDerWaalsContact N-O 3.1Å; I49-E59 HydrophobicContact CD1-CB 4.13Å; I49-E59 HydrophobicContact CG1-CB 3.78Å; I49-E59 HydrophobicContact CG1-CG 4.08Å; I49-I66 HydrophobicContact CD1-CD1 3.76Å; I49-I66 HydrophobicContact CD1-CG2 4.05Å; I49-I91 HydrophobicContact CG2-CG2 4.33Å; I49-P92 WeakPolarHBondContact CG2-O 3.44Å | ||
| 50 | D | 66.5 | Low | 71.3 | Confident | 96 Ų | 96 | 68.4 Ų | 68.4 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | trans | -33.5 | 146.7 | -176 | -166 | 0.6 | 0 | 0 | 0 | 114.7 | S52 L53 | D50-S52 PolarHBondContact O-N 2.85Å; D50-L53 PolarHBondContact O-N 2.73Å | ||
| 51 | Q | 60.8 | Low | 71.7 | Confident | 181 Ų | 181 | 75.1 Ų | 75.1 | 85% | 0.846 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -12 | -168.4 | -62.6 | 177.9 | -6.4 | 0 | 0 | 115.8 | L53 | Q51-L53 PolarHBondContact O-N 2.86Š|
| 52 | S | 62.3 | Low | 72.4 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.3 | 172.6 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | D50 | D50-S52 PolarHBondContact O-N 2.85Š|
| 53 | L | 63 | Low | 73.4 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 19% | 0.194 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -103.1 | 133.5 | 173.3 | -77.3 | 162 | 0 | 0 | 0 | 108.3 | I49 D50 Q51 F57 I91 | I49-L53 HydrophobicContact CB-CD1 4.42Å; I49-L53 HydrophobicContact CG2-CD1 3.7Å; D50-L53 PolarHBondContact O-N 2.73Å; Q51-L53 PolarHBondContact O-N 2.86Å; L53-F57 HydrophobicContact CB-CB 4.43Å; L53-F57 HydrophobicContact CB-CD2 4.01Å; L53-F57 HydrophobicContact CD2-CD2 4.1Å; L53-F57 HydrophobicContact CD2-CE2 4.19Å; L53-I91 HydrophobicContact CD1-CD1 4.49Å; L53-I91 HydrophobicContact CD1-CG2 3.62Å |
| 54 | Q | 65.3 | Low | 74.3 | Confident | 146 Ų | 146 | 70.6 Ų | 70.6 | 68% | 0.682 | 37% | 0.365 | S | S | * | . | trans | -54.1 | 157.4 | 179.4 | -61.9 | -178.4 | 7.1 | 0 | 0 | 111.3 | H56 F57 | Q54-H56 PolarHBondContact O-N 2.94Å; Q54-F57 PolarHBondContact O-N 2.81Å | ||
| 55 | D | 68.4 | Low | 75.3 | Confident | 87 Ų | 87 | 70 Ų | 70 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 12.1 | -173.7 | -54.5 | -38.1 | 0 | 0 | 0 | 116.4 | Q48 | Q48-D55 PolarHBondContact NE2-OD1 2.74Š|
| 56 | H | 80.4 | Confident | 75.9 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -16.6 | 177.5 | -62.4 | -73.9 | 0 | 0 | 0 | 113.6 | Q54 Y68 C69 | Q54-H56 PolarHBondContact O-N 2.94Å; H56-Y68 HydrophobicContact CB-CD2 3.88Å; H56-Y68 HydrophobicContact CB-CE2 3.63Å; H56-Y68 CarbonylContact O-C 3.55Å; H56-Y68 WeakPolarHBondContact O-CA 3.18Å; H56-C69 PolarHBondContact ND1-O 2.88Å; H56-C69 VanDerWaalsContact ND1-O 3.1Å; H56-C69 PolarHBondContact O-N 2.66Å |
| 57 | F | 83.3 | Confident | 76.2 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 17% | 0.167 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.3 | -173.4 | -63.9 | -81 | 0 | 0 | 0 | 113.2 | I49 L53 Q54 C67 Y68 F82 F83 | I49-F57 HydrophobicContact CB-CB 4.37Å; I49-F57 HydrophobicContact CD1-CB 4.08Å; I49-F57 HydrophobicContact CG1-CB 4.38Å; I49-F57 PolarHBondContact N-O 3.47Å; I49-F57 VanDerWaalsContact N-O 3.1Å; L53-F57 HydrophobicContact CB-CB 4.43Å; L53-F57 HydrophobicContact CB-CD2 4.01Å; L53-F57 HydrophobicContact CD2-CD2 4.1Å; L53-F57 HydrophobicContact CD2-CE2 4.19Å; Q54-F57 PolarHBondContact O-N 2.81Å; F57-C67 WeakPolarHBondContact CA-O 3.45Å; F57-Y68 HydrophobicContact CD1-CD2 4.23Å; F57-Y68 AromaticContact CE1-CD2 3.7Å; F57-Y68 HydrophobicContact CE1-CD2 3.7Å; F57-Y68 HydrophobicContact CE1-CG 4.43Å; F57-Y68 HydrophobicContact CE2-CD2 4.43Å; F57-Y68 AromaticContact CZ-CD2 3.82Å; F57-Y68 HydrophobicContact CZ-CD2 3.82Å; F57-Y68 HydrophobicContact CZ-CE2 4.28Å; F57-F82 HydrophobicContact CD1-CE1 4.32Å; F57-F82 AromaticContact CE1-CE1 3.78Å; F57-F82 HydrophobicContact CE1-CE1 3.78Å; F57-F82 HydrophobicContact CE1-CZ 4.07Å; F57-F83 HydrophobicContact CD1-CZ 4.36Å; F57-F83 HydrophobicContact CE1-CE1 4.36Å |
| 58 | W | 83.4 | Confident | 76.5 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.6 | -177.8 | -62.3 | 74.9 | 0 | 0 | 0 | 110.4 | I39 L46 R47 Q48 I66 C67 | I39-W58 HydrophobicContact CB-CD2 4.47Å; I39-W58 HydrophobicContact CB-CE3 4.2Å; I39-W58 HydrophobicContact CB-CH2 3.68Å; I39-W58 HydrophobicContact CB-CZ2 3.95Å; I39-W58 HydrophobicContact CB-CZ3 3.81Å; I39-W58 HydrophobicContact CD1-CD2 3.62Å; I39-W58 VanDerWaalsContact CD1-CE2 3.45Å; I39-W58 HydrophobicContact CD1-CE3 4.13Å; I39-W58 HydrophobicContact CD1-CG 3.96Å; I39-W58 HydrophobicContact CD1-CH2 4.39Å; I39-W58 HydrophobicContact CD1-CZ2 3.89Å; I39-W58 HydrophobicContact CD1-CZ3 4.49Å; I39-W58 HydrophobicContact CG1-CD2 4.24Å; I39-W58 HydrophobicContact CG1-CE3 4.47Å; I39-W58 HydrophobicContact CG1-CH2 3.94Å; I39-W58 HydrophobicContact CG1-CZ2 3.64Å; I39-W58 HydrophobicContact CG1-CZ3 4.33Å; L46-W58 HydrophobicContact CB-CB 4.28Å; L46-W58 HydrophobicContact CB-CE3 4.13Å; R47-W58 VanDerWaalsContact C-CE3 3.5Å; R47-W58 CarbonylContact O-C 3.58Å; R47-W58 WeakPolarHBondContact O-CA 3.12Å; Q48-W58 HydrophobicContact CB-CE3 4.4Å; Q48-W58 HydrophobicContact CB-CH2 4.49Å; Q48-W58 HydrophobicContact CB-CZ3 4.32Å; W58-I66 CarbonylContact O-C 3.58Å; W58-I66 WeakPolarHBondContact O-CA 3.25Å; W58-C67 HydrophobicContact CB-CB 4.26Å; W58-C67 PolarHBondContact N-O 3.47Å; W58-C67 PolarHBondContact O-N 3Å |
| 59 | E | 84.2 | Confident | 76.7 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 2% | 0.023 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.2 | 173.3 | 59.2 | 179 | -164.1 | 0 | 0 | 111.2 | L46 R47 I49 I66 C93 S94 | L46-E59 CarbonylContact C-O 3.49Å; L46-E59 VanDerWaalsContact CA-O 3.25Å; L46-E59 WeakPolarHBondContact CA-O 3.17Å; R47-E59 HydrophobicContact CB-CG 4Å; R47-E59 PolarHBondContact N-O 2.99Å; R47-E59 PolarHBondContact O-N 3.47Å; I49-E59 HydrophobicContact CD1-CB 4.13Å; I49-E59 HydrophobicContact CG1-CB 3.78Å; I49-E59 HydrophobicContact CG1-CG 4.08Å; E59-I66 HydrophobicContact CB-CD1 4.31Å; E59-C93 WeakPolarHBondContact OE2-CA 3.45Å; E59-C93 WeakPolarHBondContact OE2-CB 3.49Å; E59-C93 PolarHBondContact OE2-SG 3.23Å; E59-S94 WeakPolarHBondContact OE1-CB 3.43Å; E59-S94 PolarHBondContact OE1-N 2.78Å; E59-S94 PolarHBondContact OE1-OG 2.84Å; E59-S94 PolarHBondContact OE2-N 2.85Å |
| 60 | G | 79.7 | Confident | 77.2 | Confident | 10 Ų | 10 | 64 Ų | 64 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | trans | -83.2 | -180 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G62 C63 I65 | G60-G62 PolarHBondContact O-N 3.18Å; G60-C63 PolarHBondContact O-N 3.43Å; G60-I65 PolarHBondContact N-O 3.27Å | ||
| 61 | R | 75.3 | Confident | 78 | Confident | 190 Ų | 190 | 67 Ų | 67 | 72% | 0.717 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -50.4 | 130 | 175.6 | -105 | -169.6 | -67.3 | -151.1 | 0.7 | 111.6 | N45 C63 | N45-R61 HydrophobicContact CB-CG 4.27Å; N45-R61 PolarHBondContact ND2-NH2 2.82Å; N45-R61 VanDerWaalsContact ND2-NH2 3.16Å; R61-C63 PolarHBondContact O-N 3.16Å |
| 62 | G | 75.5 | Confident | 79.2 | Confident | 71 Ų | 71 | 62 Ų | 62 | 73% | 0.732 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | 68.6 | 10.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G60 E64 | G60-G62 PolarHBondContact O-N 3.18Å; G62-E64 PolarHBondContact O-N 3.35Å |
| 63 | C | 78.4 | Confident | 80.3 | Confident | 19 Ų | 19 | 61 Ų | 61 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | 58 | 16.5 | -179.1 | 164.7 | 0 | 0 | 0 | 0 | 114 | G60 R61 I65 K79 C93 | G60-C63 PolarHBondContact O-N 3.43Å; R61-C63 PolarHBondContact O-N 3.16Å; C63-I65 VanDerWaalsContact C-N 3.29Å; C63-I65 PolarHBondContact O-N 3.2Å; C63-K79 PolarHBondContact SG-NZ 3.36Å; C63-K79 VanDerWaalsContact SG-NZ 3.36Å; C63-C93 HydrophobicContact CB-CB 3.28Å; C63-C93 WeakPolarHBondContact CB-SG 3.41Å; C63-C93 WeakPolarHBondContact SG-CB 3.45Å; C63-C93 CovalentContact SG-SG 2Å; C63-C93 PolarHBondContact SG-SG 2.99Å |
| 64 | E | 80.9 | Confident | 81.5 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 54% | 0.542 | 30% | 0.297 | S | S | . | . | trans | -70.1 | -32.6 | 175.9 | -60.8 | -171 | 164.3 | 0 | 0 | 111.2 | G62 P78 K79 | G62-E64 PolarHBondContact O-N 3.35Å; E64-P78 CarbonylContact O-C 3.38Å; E64-P78 VanDerWaalsContact O-CA 3.29Å; E64-P78 WeakPolarHBondContact O-CA 3.29Å; E64-K79 PolarHBondContact O-N 3.2Å | ||
| 65 | I | 84.3 | Confident | 82.6 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.8 | 179.6 | -62.4 | -62.6 | 0 | 0 | 0 | 110 | L24 G60 C63 C76 C77 P78 | L24-I65 HydrophobicContact CB-CD1 4.28Å; L24-I65 HydrophobicContact CD1-CD1 4.1Å; G60-I65 PolarHBondContact N-O 3.27Å; C63-I65 VanDerWaalsContact C-N 3.29Å; C63-I65 PolarHBondContact O-N 3.2Å; I65-C76 HydrophobicContact CG2-CB 3.96Å; I65-C77 WeakPolarHBondContact CA-O 3.17Å; I65-P78 HydrophobicContact CD1-CG 4.41Å |
| 66 | I | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135 | 171.2 | -54.2 | -56.9 | 0 | 0 | 0 | 108.4 | I49 W58 E59 C76 C77 K79 F82 F83 | I49-I66 HydrophobicContact CD1-CD1 3.76Å; I49-I66 HydrophobicContact CD1-CG2 4.05Å; W58-I66 CarbonylContact O-C 3.58Å; W58-I66 WeakPolarHBondContact O-CA 3.25Å; E59-I66 HydrophobicContact CB-CD1 4.31Å; I66-C76 CarbonylContact O-C 3.23Å; I66-C76 VanDerWaalsContact O-CA 3.29Å; I66-C76 WeakPolarHBondContact O-CA 3.36Å; I66-C77 PolarHBondContact N-O 2.95Å; I66-C77 PolarHBondContact O-N 3.47Å; I66-K79 HydrophobicContact CD1-CB 4.44Å; I66-K79 HydrophobicContact CD1-CG 4.18Å; I66-K79 HydrophobicContact CG1-CB 3.83Å; I66-K79 HydrophobicContact CG1-CG 3.77Å; I66-F82 HydrophobicContact CB-CB 4.33Å; I66-F82 HydrophobicContact CB-CG 4.24Å; I66-F82 HydrophobicContact CG2-CD1 4.02Å; I66-F82 HydrophobicContact CG2-CE1 4.39Å; I66-F82 HydrophobicContact CG2-CG 4.18Å; I66-F83 HydrophobicContact CB-CE2 4.2Å; I66-F83 HydrophobicContact CD1-CE2 4.37Å; I66-F83 HydrophobicContact CG1-CD2 4.32Å; I66-F83 HydrophobicContact CG1-CE2 3.77Å; I66-F83 HydrophobicContact CG2-CE2 3.71Å; I66-F83 HydrophobicContact CG2-CZ 3.84Å |
| 67 | C | 86.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.1 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | L46 F57 W58 L74 L75 C76 | L46-C67 HydrophobicContact CD2-CB 4.47Å; L46-C67 VanDerWaalsContact CD2-SG 3.53Å; F57-C67 WeakPolarHBondContact CA-O 3.45Å; W58-C67 HydrophobicContact CB-CB 4.26Å; W58-C67 PolarHBondContact N-O 3.47Å; W58-C67 PolarHBondContact O-N 3Å; C67-L74 HydrophobicContact CB-CD2 3.99Å; C67-L75 CarbonylContact C-O 3.51Å; C67-L75 VanDerWaalsContact CA-O 3.25Å; C67-L75 WeakPolarHBondContact CA-O 3.08Å; C67-C76 HydrophobicContact CB-CB 4.1Å; C67-C76 WeakPolarHBondContact CB-SG 3.48Å; C67-C76 WeakPolarHBondContact SG-CB 3.48Å; C67-C76 CovalentContact SG-SG 2.04Å; C67-C76 PolarHBondContact SG-SG 3.35Å |
| 68 | Y | 87.3 | Confident | 84 | Confident | 81 Ų | 81 | 47.3 Ų | 47.3 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.3 | 165 | 172 | -101.5 | 0 | 0 | 0 | 109.6 | H56 F57 N70 L74 L75 F82 | H56-Y68 HydrophobicContact CB-CD2 3.88Å; H56-Y68 HydrophobicContact CB-CE2 3.63Å; H56-Y68 CarbonylContact O-C 3.55Å; H56-Y68 WeakPolarHBondContact O-CA 3.18Å; F57-Y68 HydrophobicContact CD1-CD2 4.23Å; F57-Y68 AromaticContact CE1-CD2 3.7Å; F57-Y68 HydrophobicContact CE1-CD2 3.7Å; F57-Y68 HydrophobicContact CE1-CG 4.43Å; F57-Y68 HydrophobicContact CE2-CD2 4.43Å; F57-Y68 AromaticContact CZ-CD2 3.82Å; F57-Y68 HydrophobicContact CZ-CD2 3.82Å; F57-Y68 HydrophobicContact CZ-CE2 4.28Å; Y68-N70 HydrophobicContact CD1-CB 4.35Å; Y68-N70 HydrophobicContact CE1-CB 3.76Å; Y68-L74 WeakPolarHBondContact O-CA 3.49Å; Y68-L75 PolarHBondContact N-O 2.77Å; Y68-L75 PolarHBondContact O-N 2.84Å; Y68-F82 HydrophobicContact CG-CZ 4.44Å |
| 69 | C | 83.6 | Confident | 84 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.1 | 178.5 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | L31 C36 H56 E73 L74 | L31-C69 VanDerWaalsContact CD1-SG 3.57Å; C36-C69 WeakPolarHBondContact CA-SG 3.25Å; C36-C69 HydrophobicContact CB-CB 3.65Å; C36-C69 WeakPolarHBondContact CB-SG 3.29Å; C36-C69 WeakPolarHBondContact SG-CB 3.07Å; C36-C69 PolarHBondContact SG-O 3Å; C36-C69 VanDerWaalsContact SG-O 3.41Å; C36-C69 CovalentContact SG-SG 2.02Å; C36-C69 PolarHBondContact SG-SG 2.04Å; H56-C69 PolarHBondContact ND1-O 2.88Å; H56-C69 VanDerWaalsContact ND1-O 3.1Å; H56-C69 PolarHBondContact O-N 2.66Å; C69-E73 WeakPolarHBondContact CA-O 3.05Å; C69-L74 HydrophobicContact CB-CD2 3.61Å |
| 70 | N | 84.7 | Confident | 83.9 | Confident | 76 Ų | 76 | 51 Ų | 51 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 104.6 | 173.9 | -170.2 | 18.6 | 0 | 0 | 0 | 109.7 | Y68 T72 E73 | Y68-N70 HydrophobicContact CD1-CB 4.35Å; Y68-N70 HydrophobicContact CE1-CB 3.76Å; N70-T72 PolarHBondContact O-N 2.87Å; N70-E73 PolarHBondContact N-O 3.28Å; N70-E73 PolarHBondContact O-N 3.14Å |
| 71 | F | 84 | Confident | 84.1 | Confident | 160 Ų | 160 | 54.1 Ų | 54.1 | 70% | 0.702 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | -89.4 | -174.2 | -59.4 | -80.4 | 0 | 0 | 0 | 113.8 | N35 C36 | N35-F71 WeakPolarHBondContact CA-O 3.03Å; C36-F71 PolarHBondContact N-O 3.48Å; C36-F71 PolarHBondContact SG-N 2.98Å; C36-F71 VanDerWaalsContact SG-N 3.44Å; C36-F71 PolarHBondContact SG-O 2.75Å |
| 72 | T | 85.3 | Confident | 84.5 | Confident | 74 Ų | 74 | 47.6 Ų | 47.6 | 45% | 0.454 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 13.7 | -177.3 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | A30 L31 N70 | A30-T72 CarbonylContact C-O 3.58Å; A30-T72 WeakPolarHBondContact CA-O 3.01Å; L31-T72 WeakPolarHBondContact CB-O 2.95Å; L31-T72 PolarHBondContact N-O 3.18Å; N70-T72 PolarHBondContact O-N 2.87Å |
| 73 | E | 86.6 | Confident | 84.7 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.6 | 176.7 | -174.5 | 175.1 | 98.8 | 0 | 0 | 110.9 | K28 C69 N70 | K28-E73 WeakPolarHBondContact CD-OE1 2.8Å; K28-E73 WeakPolarHBondContact CE-OE1 2.95Å; K28-E73 IonicContact NZ-OE1 2.77Å; K28-E73 PolarHBondContact NZ-OE1 2.65Å; C69-E73 WeakPolarHBondContact CA-O 3.05Å; N70-E73 PolarHBondContact N-O 3.28Å; N70-E73 PolarHBondContact O-N 3.14Å |
| 74 | L | 87.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.6 | 168.6 | -69.7 | 170.5 | 0 | 0 | 0 | 110.2 | K28 R29 L31 I39 L46 C67 Y68 C69 | K28-L74 CarbonylContact C-O 3.58Å; K28-L74 VanDerWaalsContact CA-O 3.26Å; K28-L74 WeakPolarHBondContact CA-O 3.45Å; R29-L74 HydrophobicContact CB-CB 4.39Å; R29-L74 PolarHBondContact N-O 2.77Å; R29-L74 PolarHBondContact O-N 3.24Å; L31-L74 HydrophobicContact CD1-CD2 4.43Å; L31-L74 HydrophobicContact CD1-CG 4.07Å; L31-L74 HydrophobicContact CD2-CD1 3.64Å; L31-L74 HydrophobicContact CD2-CG 4.05Å; L31-L74 HydrophobicContact CG-CD1 4.21Å; L31-L74 HydrophobicContact CG-CG 4.05Å; I39-L74 HydrophobicContact CD1-CD1 4.18Å; I39-L74 HydrophobicContact CD1-CD2 3.78Å; I39-L74 HydrophobicContact CD1-CG 4.38Å; L46-L74 HydrophobicContact CD1-CD1 3.6Å; C67-L74 HydrophobicContact CB-CD2 3.99Å; Y68-L74 WeakPolarHBondContact O-CA 3.49Å; C69-L74 HydrophobicContact CB-CD2 3.61Å |
| 75 | L | 89.3 | Confident | 84 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.9 | 161.9 | 175.4 | 64 | 0 | 0 | 0 | 108.5 | C26 K28 C67 Y68 | C26-L75 HydrophobicContact CB-CD1 4.39Å; K28-L75 HydrophobicContact CG-CD1 4.07Å; C67-L75 CarbonylContact C-O 3.51Å; C67-L75 VanDerWaalsContact CA-O 3.25Å; C67-L75 WeakPolarHBondContact CA-O 3.08Å; Y68-L75 PolarHBondContact N-O 2.77Å; Y68-L75 PolarHBondContact O-N 2.84Å |
| 76 | C | 87.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.3 | -177.6 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | C26 Y27 I65 I66 C67 | C26-C76 CarbonylContact C-O 3.54Å; C26-C76 WeakPolarHBondContact CA-O 3.43Å; Y27-C76 HydrophobicContact CD1-CB 4.07Å; Y27-C76 HydrophobicContact CD2-CB 4.19Å; Y27-C76 HydrophobicContact CE1-CB 3.55Å; Y27-C76 HydrophobicContact CE2-CB 3.68Å; Y27-C76 HydrophobicContact CG-CB 4.37Å; Y27-C76 PolarHBondContact N-O 2.96Å; Y27-C76 PolarHBondContact O-N 3.16Å; I65-C76 HydrophobicContact CG2-CB 3.96Å; I66-C76 CarbonylContact O-C 3.23Å; I66-C76 VanDerWaalsContact O-CA 3.29Å; I66-C76 WeakPolarHBondContact O-CA 3.36Å; C67-C76 HydrophobicContact CB-CB 4.1Å; C67-C76 WeakPolarHBondContact CB-SG 3.48Å; C67-C76 WeakPolarHBondContact SG-CB 3.48Å; C67-C76 CovalentContact SG-SG 2.04Å; C67-C76 PolarHBondContact SG-SG 3.35Å |
| 77 | C | 87.4 | Confident | 82.8 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 162.4 | 179 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | C26 I65 I66 F82 | C26-C77 HydrophobicContact CB-CB 4.13Å; C26-C77 WeakPolarHBondContact CB-SG 3.03Å; C26-C77 WeakPolarHBondContact SG-CB 3.49Å; C26-C77 CovalentContact SG-SG 2.03Å; C26-C77 PolarHBondContact SG-SG 3.03Å; I65-C77 WeakPolarHBondContact CA-O 3.17Å; I66-C77 PolarHBondContact N-O 2.95Å; I66-C77 PolarHBondContact O-N 3.47Å; C77-F82 HydrophobicContact CB-CB 3.99Å; C77-F82 HydrophobicContact CB-CD2 3.92Å; C77-F82 HydrophobicContact CB-CG 4.46Å |
| 78 | P | 86.9 | Confident | 81.9 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 141.3 | 163.6 | -25.6 | 35.6 | 0 | 0 | 0 | 111.4 | L24 E64 I65 D80 T81 F82 | L24-P78 HydrophobicContact CB-CG 4.38Å; L24-P78 WeakPolarHBondContact O-CD 3.4Å; L24-P78 WeakPolarHBondContact O-CG 3.33Å; E64-P78 CarbonylContact O-C 3.38Å; E64-P78 VanDerWaalsContact O-CA 3.29Å; E64-P78 WeakPolarHBondContact O-CA 3.29Å; I65-P78 HydrophobicContact CD1-CG 4.41Å; P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 WeakPolarHBondContact CB-OD1 3.47Å; P78-D80 PolarHBondContact O-N 3.41Å; P78-T81 WeakPolarHBondContact O-CA 3.44Å; P78-T81 WeakPolarHBondContact O-CB 3.33Å; P78-T81 PolarHBondContact O-N 2.89Å; P78-F82 PolarHBondContact O-N 2.87Å |
| 79 | K | 83.4 | Confident | 80.9 | Confident | 39 Ų | 39 | 62.4 Ų | 62.4 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.3 | -42.8 | -177 | -170.6 | -176.1 | -164 | -173.4 | 0 | 113.3 | C63 E64 I66 T81 F82 F83 S88 I91 | C63-K79 PolarHBondContact SG-NZ 3.36Å; C63-K79 VanDerWaalsContact SG-NZ 3.36Å; E64-K79 PolarHBondContact O-N 3.2Å; I66-K79 HydrophobicContact CD1-CB 4.44Å; I66-K79 HydrophobicContact CD1-CG 4.18Å; I66-K79 HydrophobicContact CG1-CB 3.83Å; I66-K79 HydrophobicContact CG1-CG 3.77Å; K79-T81 VanDerWaalsContact C-N 3.3Å; K79-T81 PolarHBondContact O-N 2.88Å; K79-F82 PolarHBondContact O-N 2.02Å; K79-F83 HydrophobicContact CG-CD2 4.12Å; K79-F83 PolarHBondContact O-N 3.18Å; K79-F83 VanDerWaalsContact O-N 3.16Å; K79-S88 WeakPolarHBondContact CE-O 2.99Å; K79-S88 PolarHBondContact NZ-O 3.44Å; K79-I91 PolarHBondContact NZ-O 2.75Å |
| 80 | D | 81.3 | Confident | 80.1 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67 | -31.9 | 179.6 | 70.7 | -37.4 | 0 | 0 | 0 | 112.7 | R23 P78 G84 | R23-D80 IonicContact CZ-OD2 3.81Å; R23-D80 IonicContact NH1-OD2 2.82Å; R23-D80 PolarHBondContact NH1-OD2 3.32Å; P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 WeakPolarHBondContact CB-OD1 3.47Å; P78-D80 PolarHBondContact O-N 3.41Å; D80-G84 CarbonylContact O-C 3.59Å; D80-G84 VanDerWaalsContact O-C 3.23Å; D80-G84 WeakPolarHBondContact O-CA 3Å; D80-G84 PolarHBondContact O-N 2.85Å |
| 81 | T | 84.1 | Confident | 79.4 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -79.4 | -39.7 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 111 | P78 K79 | P78-T81 WeakPolarHBondContact O-CA 3.44Å; P78-T81 WeakPolarHBondContact O-CB 3.33Å; P78-T81 PolarHBondContact O-N 2.89Å; K79-T81 VanDerWaalsContact C-N 3.3Å; K79-T81 PolarHBondContact O-N 2.88Å |
| 82 | F | 84.1 | Confident | 78.5 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 24% | 0.237 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.7 | -53.4 | -175.8 | -165.9 | -84.4 | 0 | 0 | 0 | 112.4 | F57 I66 Y68 C77 P78 K79 | F57-F82 HydrophobicContact CD1-CE1 4.32Å; F57-F82 AromaticContact CE1-CE1 3.78Å; F57-F82 HydrophobicContact CE1-CE1 3.78Å; F57-F82 HydrophobicContact CE1-CZ 4.07Å; I66-F82 HydrophobicContact CB-CB 4.33Å; I66-F82 HydrophobicContact CB-CG 4.24Å; I66-F82 HydrophobicContact CG2-CD1 4.02Å; I66-F82 HydrophobicContact CG2-CE1 4.39Å; I66-F82 HydrophobicContact CG2-CG 4.18Å; Y68-F82 HydrophobicContact CG-CZ 4.44Å; C77-F82 HydrophobicContact CB-CB 3.99Å; C77-F82 HydrophobicContact CB-CD2 3.92Å; C77-F82 HydrophobicContact CB-CG 4.46Å; P78-F82 PolarHBondContact O-N 2.87Å; K79-F82 PolarHBondContact O-N 2.02Å |
| 83 | F | 79.4 | Confident | 77.8 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -92.8 | -8.9 | -177.6 | -65.6 | -63.8 | 0 | 0 | 0 | 113.1 | F57 I66 K79 I87 I91 | F57-F83 HydrophobicContact CD1-CZ 4.36Å; F57-F83 HydrophobicContact CE1-CE1 4.36Å; I66-F83 HydrophobicContact CB-CE2 4.2Å; I66-F83 HydrophobicContact CD1-CE2 4.37Å; I66-F83 HydrophobicContact CG1-CD2 4.32Å; I66-F83 HydrophobicContact CG1-CE2 3.77Å; I66-F83 HydrophobicContact CG2-CE2 3.71Å; I66-F83 HydrophobicContact CG2-CZ 3.84Å; K79-F83 HydrophobicContact CG-CD2 4.12Å; K79-F83 PolarHBondContact O-N 3.18Å; K79-F83 VanDerWaalsContact O-N 3.16Å; F83-I87 HydrophobicContact CB-CB 4.08Å; F83-I87 HydrophobicContact CB-CG2 4.18Å; F83-I87 WeakPolarHBondContact O-CB 3.43Å; F83-I91 HydrophobicContact CB-CD1 4.45Å; F83-I91 HydrophobicContact CD1-CD1 3.33Å; F83-I91 HydrophobicContact CD2-CD1 3.66Å; F83-I91 HydrophobicContact CE1-CD1 3.22Å; F83-I91 HydrophobicContact CE2-CB 4.41Å; F83-I91 HydrophobicContact CE2-CD1 3.5Å; F83-I91 VanDerWaalsContact CE2-CD1 3.5Å; F83-I91 HydrophobicContact CE2-CG2 4.13Å; F83-I91 HydrophobicContact CG-CD1 3.56Å; F83-I91 HydrophobicContact CZ-CD1 3.3Å; F83-I91 HydrophobicContact CZ-CG2 4.34Å |
| 84 | G | 75.6 | Confident | 76.7 | Confident | 22 Ų | 22 | 57 Ų | 57 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | trans | 74.1 | 163.9 | -166 | 0 | 0 | 0 | 0 | 0 | 112.4 | D80 K86 I87 S88 | D80-G84 CarbonylContact O-C 3.59Å; D80-G84 VanDerWaalsContact O-C 3.23Å; D80-G84 WeakPolarHBondContact O-CA 3Å; D80-G84 PolarHBondContact O-N 2.85Å; G84-K86 PolarHBondContact O-N 3.5Å; G84-I87 PolarHBondContact O-N 3.1Å; G84-S88 WeakPolarHBondContact O-CB 3.26Å; G84-S88 PolarHBondContact O-N 2.87Å; G84-S88 VanDerWaalsContact O-N 3.11Å; G84-S88 PolarHBondContact O-OG 2.03Å | ||
| 85 | P | 69.6 | Low | 75.2 | Confident | 112 Ų | 112 | 62.8 Ų | 62.8 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.2 | -172.4 | 25 | -34.2 | 0 | 0 | 0 | 113.8 | ||
| 86 | K | 72.9 | Confident | 73.3 | Confident | 180 Ų | 180 | 69.9 Ų | 69.9 | 78% | 0.783 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -25.6 | -178.6 | -68 | -174.5 | 179.2 | -178.6 | 0 | 114 | G84 F89 | G84-K86 PolarHBondContact O-N 3.5Å; K86-F89 WeakPolarHBondContact O-CD1 3.21Å; K86-F89 WeakPolarHBondContact O-CE1 3Å |
| 87 | I | 71.1 | Confident | 72.6 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 46% | 0.462 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -27 | -172.6 | -57.2 | 170.9 | 0 | 0 | 0 | 110.9 | F83 G84 F89 V90 I91 | F83-I87 HydrophobicContact CB-CB 4.08Å; F83-I87 HydrophobicContact CB-CG2 4.18Å; F83-I87 WeakPolarHBondContact O-CB 3.43Å; G84-I87 PolarHBondContact O-N 3.1Å; I87-F89 PolarHBondContact O-N 2.82Å; I87-V90 HydrophobicContact CG2-CG2 4.07Å; I87-V90 WeakPolarHBondContact O-CG2 3.46Å; I87-V90 PolarHBondContact O-N 3.03Å; I87-V90 VanDerWaalsContact O-N 3.1Å; I87-I91 HydrophobicContact CG2-CD1 3.92Å; I87-I91 HydrophobicContact CG2-CG1 4.27Å |
| 88 | S | 68.8 | Low | 71.8 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 13% | 0.133 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.7 | 178.7 | 48.1 | 0 | 0 | 0 | 0 | 114.9 | K79 G84 | K79-S88 WeakPolarHBondContact CE-O 2.99Å; K79-S88 PolarHBondContact NZ-O 3.44Å; G84-S88 WeakPolarHBondContact O-CB 3.26Å; G84-S88 PolarHBondContact O-N 2.87Å; G84-S88 VanDerWaalsContact O-N 3.11Å; G84-S88 PolarHBondContact O-OG 2.03Å |
| 89 | F | 65.4 | Low | 70.9 | Confident | 163 Ų | 163 | 80.5 Ų | 80.5 | 72% | 0.715 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -27.6 | 178.5 | 88.9 | -91.8 | 0 | 0 | 0 | 114.2 | K86 I87 | K86-F89 WeakPolarHBondContact O-CD1 3.21Å; K86-F89 WeakPolarHBondContact O-CE1 3Å; I87-F89 PolarHBondContact O-N 2.82Å |
| 90 | V | 67.5 | Low | 70.2 | Confident | 85 Ų | 85 | 82.9 Ų | 82.9 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -19.2 | -175.7 | -72.1 | 0 | 0 | 0 | 0 | 113.4 | I87 P92 | I87-V90 HydrophobicContact CG2-CG2 4.07Å; I87-V90 WeakPolarHBondContact O-CG2 3.46Å; I87-V90 PolarHBondContact O-N 3.03Å; I87-V90 VanDerWaalsContact O-N 3.1Å; V90-P92 WeakPolarHBondContact O-CD 3.38Å |
| 91 | I | 69.7 | Low | 69.5 | Low | 19 Ų | 19 | 84.3 Ų | 84.3 | 10% | 0.097 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -78.4 | 111.2 | -177.1 | -67.6 | -177.9 | 0 | 0 | 0 | 108.7 | I49 L53 K79 F83 I87 | I49-I91 HydrophobicContact CG2-CG2 4.33Å; L53-I91 HydrophobicContact CD1-CD1 4.49Å; L53-I91 HydrophobicContact CD1-CG2 3.62Å; K79-I91 PolarHBondContact NZ-O 2.75Å; F83-I91 HydrophobicContact CB-CD1 4.45Å; F83-I91 HydrophobicContact CD1-CD1 3.33Å; F83-I91 HydrophobicContact CD2-CD1 3.66Å; F83-I91 HydrophobicContact CE1-CD1 3.22Å; F83-I91 HydrophobicContact CE2-CB 4.41Å; F83-I91 HydrophobicContact CE2-CD1 3.5Å; F83-I91 VanDerWaalsContact CE2-CD1 3.5Å; F83-I91 HydrophobicContact CE2-CG2 4.13Å; F83-I91 HydrophobicContact CG-CD1 3.56Å; F83-I91 HydrophobicContact CZ-CD1 3.3Å; F83-I91 HydrophobicContact CZ-CG2 4.34Å; I87-I91 HydrophobicContact CG2-CD1 3.92Å; I87-I91 HydrophobicContact CG2-CG1 4.27Å |
| 92 | P | 66.4 | Low | 68.5 | Low | 65 Ų | 65 | 85 Ų | 85 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | trans | -67.1 | 142.7 | -178.4 | 29.9 | -33.2 | 0 | 0 | 0 | 109.1 | I49 V90 | I49-P92 WeakPolarHBondContact CG2-O 3.44Å; V90-P92 WeakPolarHBondContact O-CD 3.38Å | ||
| 93 | C | 69.3 | Low | 67.4 | Low | 34 Ų | 34 | 87.2 Ų | 87.2 | 23% | 0.23 | 48% | 0.483 | C | S | . | . | trans | -121.2 | 147.7 | 173.2 | -77 | 0 | 0 | 0 | 0 | 107.9 | E59 C63 S95 | E59-C93 WeakPolarHBondContact OE2-CA 3.45Å; E59-C93 WeakPolarHBondContact OE2-CB 3.49Å; E59-C93 PolarHBondContact OE2-SG 3.23Å; C63-C93 HydrophobicContact CB-CB 3.28Å; C63-C93 WeakPolarHBondContact CB-SG 3.41Å; C63-C93 WeakPolarHBondContact SG-CB 3.45Å; C63-C93 CovalentContact SG-SG 2Å; C63-C93 PolarHBondContact SG-SG 2.99Å; C93-S95 PolarHBondContact O-N 2.99Å; C93-S95 VanDerWaalsContact O-N 3.09Å | ||
| 94 | S | 64.9 | Low | 66.5 | Low | 66 Ų | 66 | 91.3 Ų | 91.3 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | trans | -70.9 | 113.4 | 179.1 | 79.6 | 0 | 0 | 0 | 0 | 108.8 | E59 Q96 | E59-S94 WeakPolarHBondContact OE1-CB 3.43Å; E59-S94 PolarHBondContact OE1-N 2.78Å; E59-S94 PolarHBondContact OE1-OG 2.84Å; E59-S94 PolarHBondContact OE2-N 2.85Å; S94-Q96 PolarHBondContact O-N 2.77Å; S94-Q96 VanDerWaalsContact O-N 3.15Å | ||
| 95 | S | 54.6 | Low | 65.8 | Low | 123 Ų | 123 | 97.1 Ų | 97.1 | 86% | 0.86 | 53% | 0.532 | S | S | * | . | trans | -80.6 | 88.6 | 171.1 | 59 | 0 | 0 | 0 | 0 | 107.8 | C93 | C93-S95 PolarHBondContact O-N 2.99Å; C93-S95 VanDerWaalsContact O-N 3.09Å | ||
| 96 | Q | 49.1 | Very low | 65.4 | Low | 209 Ų | 209 | 95.7 Ų | 95.7 | 98% | 0.977 | 51% | 0.514 | S | S | * | . | trans | -98.8 | 0 | 163.5 | -166.1 | 178.7 | 79.5 | 0 | 0 | 109.7 | S94 | S94-Q96 PolarHBondContact O-N 2.77Å; S94-Q96 VanDerWaalsContact O-N 3.15Å |
Retrieved 96 of 96 residues in 664.4 ms
(Link to these results)