| 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 | L | 49.3 | Very low | 50.6 | Low | 179 Ų | 179 | 106.3 Ų | 106.3 | 94% | 0.937 | 61% | 0.609 | S | S | * | * | 0 | -53 | 0 | -166.8 | 57.5 | 0 | 0 | 0 | 111.1 | V3 L4 T5 | L1-V3 VanDerWaalsContact C-N 3.33Å; L1-V3 PolarHBondContact O-N 3.11Å; L1-V3 VanDerWaalsContact O-N 3.14Å; L1-L4 WeakPolarHBondContact O-CB 3.32Å; L1-L4 PolarHBondContact O-N 2.95Å; L1-T5 PolarHBondContact O-N 3.14Å | |||
| 2 | E | 40.8 | Very low | 51.5 | Low | 165 Ų | 165 | 109.7 Ų | 109.7 | 77% | 0.771 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.8 | -38.9 | -172.6 | -60.6 | 159.9 | 135.1 | 0 | 0 | 115.9 | L4 T5 A6 | E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 3.23Å; E2-T5 CarbonylContact O-C 3.59Å; E2-T5 WeakPolarHBondContact O-CA 3.35Å; E2-T5 WeakPolarHBondContact O-CB 3.26Å; E2-T5 PolarHBondContact O-N 2.98Å; E2-A6 PolarHBondContact O-N 2.93Å |
| 3 | V | 48.2 | Very low | 51.9 | Low | 117 Ų | 117 | 113.7 Ų | 113.7 | 71% | 0.709 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.4 | -35.1 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | L1 C7 | L1-V3 VanDerWaalsContact C-N 3.33Å; L1-V3 PolarHBondContact O-N 3.11Å; L1-V3 VanDerWaalsContact O-N 3.14Å; V3-C7 PolarHBondContact O-N 2.87Å; V3-C7 VanDerWaalsContact O-N 3.09Å; V3-C7 PolarHBondContact O-SG 3.01Å |
| 4 | L | 50.7 | Low | 52.3 | Low | 109 Ų | 109 | 113.4 Ų | 113.4 | 57% | 0.571 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.2 | -43.5 | 172.7 | -72.9 | 164.3 | 0 | 0 | 0 | 110.5 | L1 E2 A6 C7 F8 | L1-L4 WeakPolarHBondContact O-CB 3.32Å; L1-L4 PolarHBondContact O-N 2.95Å; E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 3.23Å; L4-A6 VanDerWaalsContact C-N 3.31Å; L4-A6 PolarHBondContact O-N 3.16Å; L4-C7 PolarHBondContact O-N 2.92Å; L4-F8 VanDerWaalsContact O-CD2 3.31Å; L4-F8 WeakPolarHBondContact O-CD2 3.42Å; L4-F8 PolarHBondContact O-N 3.06Å |
| 5 | T | 58.8 | Low | 53 | Low | 91 Ų | 91 | 116.5 Ų | 116.5 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -57.4 | -43.5 | 176 | -43.8 | 0 | 0 | 0 | 0 | 111.6 | L1 E2 F8 G9 | L1-T5 PolarHBondContact O-N 3.14Å; E2-T5 CarbonylContact O-C 3.59Å; E2-T5 WeakPolarHBondContact O-CA 3.35Å; E2-T5 WeakPolarHBondContact O-CB 3.26Å; E2-T5 PolarHBondContact O-N 2.98Å; T5-F8 PolarHBondContact O-N 3.07Å; T5-G9 PolarHBondContact O-N 3Å |
| 6 | A | 46.9 | Very low | 53.3 | Low | 58 Ų | 58 | 118.5 Ų | 118.5 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.1 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E2 L4 G9 C10 | E2-A6 PolarHBondContact O-N 2.93Å; L4-A6 VanDerWaalsContact C-N 3.31Å; L4-A6 PolarHBondContact O-N 3.16Å; A6-G9 PolarHBondContact O-N 2.97Å; A6-C10 PolarHBondContact O-N 3.13Å; A6-C10 PolarHBondContact O-SG 3.02Å |
| 7 | C | 49.3 | Very low | 53.3 | Low | 67 Ų | 67 | 115.7 Ų | 115.7 | 45% | 0.453 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.3 | -44.8 | 175 | -68.4 | 0 | 0 | 0 | 0 | 112 | V3 L4 C10 L11 | V3-C7 PolarHBondContact O-N 2.87Å; V3-C7 VanDerWaalsContact O-N 3.09Å; V3-C7 PolarHBondContact O-SG 3.01Å; L4-C7 PolarHBondContact O-N 2.92Å; C7-C10 PolarHBondContact O-N 3.36Å; C7-L11 VanDerWaalsContact O-CG 3.3Å; C7-L11 WeakPolarHBondContact O-CG 3.41Å; C7-L11 PolarHBondContact O-N 2.75Å |
| 8 | F | 61.1 | Low | 53.5 | Low | 143 Ų | 143 | 116.2 Ų | 116.2 | 63% | 0.627 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.4 | -41.2 | 176.4 | -86.1 | -72 | 0 | 0 | 0 | 112.1 | L4 T5 L11 F12 | L4-F8 VanDerWaalsContact O-CD2 3.31Å; L4-F8 WeakPolarHBondContact O-CD2 3.42Å; L4-F8 PolarHBondContact O-N 3.06Å; T5-F8 PolarHBondContact O-N 3.07Å; F8-L11 PolarHBondContact O-N 3.27Å; F8-F12 WeakPolarHBondContact O-CB 3.49Å; F8-F12 PolarHBondContact O-N 3.36Å |
| 9 | G | 49.9 | Very low | 53.6 | Low | 42 Ų | 42 | 114.8 Ų | 114.8 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.7 | -47 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T5 A6 L11 F12 Y13 | T5-G9 PolarHBondContact O-N 3Å; A6-G9 PolarHBondContact O-N 2.97Å; G9-L11 VanDerWaalsContact C-N 3.35Å; G9-L11 PolarHBondContact O-N 3.22Å; G9-F12 PolarHBondContact O-N 3.26Å; G9-Y13 WeakPolarHBondContact O-CB 3.46Å; G9-Y13 PolarHBondContact O-N 2.93Å |
| 10 | C | 45.8 | Very low | 53.2 | Low | 80 Ų | 80 | 112.4 Ų | 112.4 | 54% | 0.541 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -39.3 | 176.6 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | A6 C7 N14 | A6-C10 PolarHBondContact O-N 3.13Å; A6-C10 PolarHBondContact O-SG 3.02Å; C7-C10 PolarHBondContact O-N 3.36Å; C10-N14 WeakPolarHBondContact O-CB 3.27Å; C10-N14 PolarHBondContact O-N 3.08Å; C10-N14 VanDerWaalsContact O-N 3.1Å; C10-N14 PolarHBondContact O-ND2 3.15Å |
| 11 | L | 56.1 | Low | 52.9 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 62% | 0.618 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.5 | -42.5 | 176.6 | -72.6 | 168.4 | 0 | 0 | 0 | 111.9 | C7 F8 G9 N14 Y15 | C7-L11 VanDerWaalsContact O-CG 3.3Å; C7-L11 WeakPolarHBondContact O-CG 3.41Å; C7-L11 PolarHBondContact O-N 2.75Å; F8-L11 PolarHBondContact O-N 3.27Å; G9-L11 VanDerWaalsContact C-N 3.35Å; G9-L11 PolarHBondContact O-N 3.22Å; L11-N14 PolarHBondContact O-N 3.21Å; L11-Y15 WeakPolarHBondContact O-CB 3.3Å; L11-Y15 PolarHBondContact O-N 3.1Å |
| 12 | F | 61.4 | Low | 52.7 | Low | 147 Ų | 147 | 111.2 Ų | 111.2 | 65% | 0.645 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67 | -41.1 | 178.9 | -147.3 | -89.5 | 0 | 0 | 0 | 111.7 | F8 G9 Y15 Y16 | F8-F12 WeakPolarHBondContact O-CB 3.49Å; F8-F12 PolarHBondContact O-N 3.36Å; G9-F12 PolarHBondContact O-N 3.26Å; F12-Y15 PolarHBondContact O-N 3.31Å; F12-Y16 WeakPolarHBondContact O-CB 3.19Å; F12-Y16 PolarHBondContact O-N 3.41Å |
| 13 | Y | 56.8 | Low | 52.9 | Low | 162 Ų | 162 | 108.7 Ų | 108.7 | 64% | 0.635 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 175.9 | -171.4 | -99 | 0 | 0 | 0 | 112.4 | G9 N17 | G9-Y13 WeakPolarHBondContact O-CB 3.46Å; G9-Y13 PolarHBondContact O-N 2.93Å; Y13-N17 VanDerWaalsContact CE1-ND2 3.3Å; Y13-N17 WeakPolarHBondContact CE1-ND2 3.32Å; Y13-N17 WeakPolarHBondContact O-CB 3.46Å; Y13-N17 PolarHBondContact O-N 3.48Å; Y13-N17 VanDerWaalsContact O-N 3.07Å; Y13-N17 PolarHBondContact O-ND2 2.95Å |
| 14 | N | 57.6 | Low | 52.5 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.6 | -40.6 | 174.3 | -85.3 | -88.8 | 0 | 0 | 0 | 112.2 | C10 L11 H18 | C10-N14 WeakPolarHBondContact O-CB 3.27Å; C10-N14 PolarHBondContact O-N 3.08Å; C10-N14 VanDerWaalsContact O-N 3.1Å; C10-N14 PolarHBondContact O-ND2 3.15Å; L11-N14 PolarHBondContact O-N 3.21Å; N14-H18 WeakPolarHBondContact O-CB 3.47Å; N14-H18 PolarHBondContact O-N 3.44Å |
| 15 | Y | 63 | Low | 52.2 | Low | 160 Ų | 160 | 111.8 Ų | 111.8 | 63% | 0.627 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.5 | -47.7 | 175.8 | -175.7 | -94.3 | 0 | 0 | 0 | 111.6 | L11 F12 N17 H18 H19 | L11-Y15 WeakPolarHBondContact O-CB 3.3Å; L11-Y15 PolarHBondContact O-N 3.1Å; F12-Y15 PolarHBondContact O-N 3.31Å; Y15-N17 PolarHBondContact O-N 2.87Å; Y15-H18 PolarHBondContact O-N 3.2Å; Y15-H19 PolarHBondContact O-N 3.19Å |
| 16 | Y | 56.6 | Low | 51.5 | Low | 149 Ų | 149 | 116.2 Ų | 116.2 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64 | -41.3 | -179.7 | -162 | -98 | 0 | 0 | 0 | 112.4 | F12 H19 N20 | F12-Y16 WeakPolarHBondContact O-CB 3.19Å; F12-Y16 PolarHBondContact O-N 3.41Å; Y16-H19 PolarHBondContact O-N 2.94Å; Y16-N20 WeakPolarHBondContact CD1-ND2 3.35Å; Y16-N20 VanDerWaalsContact CE1-ND2 3.31Å; Y16-N20 WeakPolarHBondContact CE1-ND2 3.08Å; Y16-N20 PolarHBondContact O-N 3.43Å; Y16-N20 VanDerWaalsContact O-N 3.12Å; Y16-N20 PolarHBondContact O-ND2 3.28Å |
| 17 | N | 54.7 | Low | 51.2 | Low | 71 Ų | 71 | 116.7 Ų | 116.7 | 38% | 0.38 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67 | -36.2 | 174.3 | -84.5 | -84.8 | 0 | 0 | 0 | 112.9 | Y13 Y15 K21 | Y13-N17 VanDerWaalsContact CE1-ND2 3.3Å; Y13-N17 WeakPolarHBondContact CE1-ND2 3.32Å; Y13-N17 WeakPolarHBondContact O-CB 3.46Å; Y13-N17 PolarHBondContact O-N 3.48Å; Y13-N17 VanDerWaalsContact O-N 3.07Å; Y13-N17 PolarHBondContact O-ND2 2.95Å; Y15-N17 PolarHBondContact O-N 2.87Å; N17-K21 WeakPolarHBondContact O-CB 3.26Å; N17-K21 PolarHBondContact O-N 2.64Å |
| 18 | H | 56.6 | Low | 50.7 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.6 | -36.5 | 177 | -164.1 | -65.6 | 0 | 0 | 0 | 112 | N14 Y15 Q22 | N14-H18 WeakPolarHBondContact O-CB 3.47Å; N14-H18 PolarHBondContact O-N 3.44Å; Y15-H18 PolarHBondContact O-N 3.2Å; H18-Q22 PolarHBondContact CE1-OE1 3.43Å; H18-Q22 PolarHBondContact ND1-OE1 2.74Å; H18-Q22 PolarHBondContact O-N 2.99Å |
| 19 | H | 54.5 | Low | 49.4 | Very low | 90 Ų | 90 | 117.1 Ų | 117.1 | 42% | 0.417 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -53 | 176.3 | -156.8 | -78 | 0 | 0 | 0 | 111.4 | Y15 Y16 K21 Q22 E23 | Y15-H19 PolarHBondContact O-N 3.19Å; Y16-H19 PolarHBondContact O-N 2.94Å; H19-K21 VanDerWaalsContact C-N 3.26Å; H19-K21 PolarHBondContact O-N 2.97Å; H19-Q22 WeakPolarHBondContact O-CA 3.38Å; H19-Q22 WeakPolarHBondContact O-CB 3.09Å; H19-Q22 PolarHBondContact O-N 2.81Å; H19-E23 IonicContact CE1-OE1 2.66Å; H19-E23 IonicContact CE1-OE2 3.91Å; H19-E23 PolarHBondContact CE1-OE2 2.9Å; H19-E23 IonicContact CG-OE2 3.91Å; H19-E23 IonicContact ND1-OE1 2.68Å; H19-E23 IonicContact ND1-OE2 3.79Å; H19-E23 PolarHBondContact ND1-OE2 2.99Å; H19-E23 PolarHBondContact O-N 3.02Å; H19-E23 VanDerWaalsContact O-N 3.08Å |
| 20 | N | 46.3 | Very low | 48.6 | Very low | 66 Ų | 66 | 121.7 Ų | 121.7 | 35% | 0.353 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61 | -33.7 | 178.2 | -77.9 | -92.6 | 0 | 0 | 0 | 112.4 | Y16 Q22 E23 M24 | Y16-N20 WeakPolarHBondContact CD1-ND2 3.35Å; Y16-N20 VanDerWaalsContact CE1-ND2 3.31Å; Y16-N20 WeakPolarHBondContact CE1-ND2 3.08Å; Y16-N20 PolarHBondContact O-N 3.43Å; Y16-N20 VanDerWaalsContact O-N 3.12Å; Y16-N20 PolarHBondContact O-ND2 3.28Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; N20-Q22 PolarHBondContact O-N 3.04Å; N20-E23 PolarHBondContact O-N 3.28Å; N20-M24 WeakPolarHBondContact O-CB 3.39Å; N20-M24 PolarHBondContact O-N 3.35Å |
| 21 | K | 47.5 | Very low | 47.9 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.3 | -24.9 | 172.1 | -93.8 | -169.8 | 171.9 | -178.8 | 0 | 114.1 | N17 H19 I25 | N17-K21 WeakPolarHBondContact O-CB 3.26Å; N17-K21 PolarHBondContact O-N 2.64Å; H19-K21 VanDerWaalsContact C-N 3.26Å; H19-K21 PolarHBondContact O-N 2.97Å; K21-I25 WeakPolarHBondContact O-CD1 3.45Å; K21-I25 WeakPolarHBondContact O-CG1 3.34Å |
| 22 | Q | 45.2 | Very low | 46.6 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 53% | 0.533 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -78.3 | -43.2 | 172.6 | -73.1 | -175.7 | -115.3 | 0 | 0 | 111.2 | H18 H19 N20 M24 I25 E26 | H18-Q22 PolarHBondContact CE1-OE1 3.43Å; H18-Q22 PolarHBondContact ND1-OE1 2.74Å; H18-Q22 PolarHBondContact O-N 2.99Å; H19-Q22 WeakPolarHBondContact O-CA 3.38Å; H19-Q22 WeakPolarHBondContact O-CB 3.09Å; H19-Q22 PolarHBondContact O-N 2.81Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; N20-Q22 PolarHBondContact O-N 3.04Å; Q22-M24 VanDerWaalsContact C-N 3.32Å; Q22-M24 PolarHBondContact O-N 2.67Å; Q22-I25 PolarHBondContact O-N 2.74Å; Q22-E26 PolarHBondContact O-N 2.66Å |
| 23 | E | 44 | Very low | 45.1 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 52% | 0.523 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -64 | -35.2 | 177.6 | -70.6 | 170 | 117.6 | 0 | 0 | 112.4 | H19 N20 I25 | H19-E23 IonicContact CE1-OE1 2.66Å; H19-E23 IonicContact CE1-OE2 3.91Å; H19-E23 PolarHBondContact CE1-OE2 2.9Å; H19-E23 IonicContact CG-OE2 3.91Å; H19-E23 IonicContact ND1-OE1 2.68Å; H19-E23 IonicContact ND1-OE2 3.79Å; H19-E23 PolarHBondContact ND1-OE2 2.99Å; H19-E23 PolarHBondContact O-N 3.02Å; H19-E23 VanDerWaalsContact O-N 3.08Å; N20-E23 PolarHBondContact O-N 3.28Å; E23-I25 VanDerWaalsContact C-N 3.25Å; E23-I25 PolarHBondContact O-N 3.12Å |
| 24 | M | 40.1 | Very low | 43.8 | Very low | 160 Ų | 160 | 128 Ų | 128 | 79% | 0.788 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.9 | -13.5 | 170.8 | -80.2 | -166.1 | 70.9 | 0 | 0 | 114.9 | N20 Q22 | N20-M24 WeakPolarHBondContact O-CB 3.39Å; N20-M24 PolarHBondContact O-N 3.35Å; Q22-M24 VanDerWaalsContact C-N 3.32Å; Q22-M24 PolarHBondContact O-N 2.67Å |
| 25 | I | 44.6 | Very low | 42.3 | Very low | 131 Ų | 131 | 126 Ų | 126 | 67% | 0.672 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -99.7 | -26.4 | -177.7 | -72.4 | 173.8 | 0 | 0 | 0 | 112.2 | K21 Q22 E23 | K21-I25 WeakPolarHBondContact O-CD1 3.45Å; K21-I25 WeakPolarHBondContact O-CG1 3.34Å; Q22-I25 PolarHBondContact O-N 2.74Å; E23-I25 VanDerWaalsContact C-N 3.25Å; E23-I25 PolarHBondContact O-N 3.12Å |
| 26 | E | 42.8 | Very low | 40.7 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 86% | 0.855 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -77.7 | -12.4 | 167.6 | -64.8 | -170.4 | 137.2 | 0 | 0 | 112.3 | Q22 G28 | Q22-E26 PolarHBondContact O-N 2.66Å; E26-G28 PolarHBondContact O-N 3.32Å |
| 27 | G | 41.4 | Very low | 39.5 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 14.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 28 | G | 38.4 | Very low | 38.3 | Very low | 51 Ų | 51 | 129.7 Ų | 129.7 | 53% | 0.526 | 70% | 0.701 | S | S | . | * | trans | 168 | 173.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119 | E26 | E26-G28 PolarHBondContact O-N 3.32Š| ||
| 29 | I | 35 | Very low | 37 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 86% | 0.862 | 72% | 0.716 | S | S | * | * | trans | 71.9 | 103.9 | 171.7 | -46.1 | 173 | 0 | 0 | 0 | 116 | ||||
| 30 | T | 31.9 | Very low | 35.9 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | -132.6 | 141.8 | 149 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 31 | S | 30.9 | Very low | 35.1 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | 67.7 | 131.9 | -179 | -136.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 32 | R | 30.1 | Very low | 34.3 | Very low | 242 Ų | 242 | 134.4 Ų | 134.4 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | cis | -137.4 | -178.4 | 34.1 | -92.1 | -175.5 | 159.5 | -167 | -6 | 114.6 | ||||
| 33 | M | 30.1 | Very low | 33.7 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 84% | 0.837 | 78% | 0.777 | S | S | * | * | trans | -104.2 | 155.5 | -163.1 | -61 | 159.2 | 63.9 | 0 | 0 | 115 | ||||
| 34 | S | 29 | Very low | 33.2 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 24.5 | 133.8 | 142.6 | -48.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 35 | G | 25.6 | Very low | 32.7 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -172.5 | 156.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 36 | I | 29.3 | Very low | 32.5 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | 69 | 105.5 | -178.8 | -48.8 | 168.5 | 0 | 0 | 0 | 112.1 | ||||
| 37 | I | 32.6 | Very low | 32 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | cis | 84.3 | 131.4 | 38.9 | -52.3 | 173.6 | 0 | 0 | 0 | 113.6 | ||||
| 38 | D | 29.1 | Very low | 31.4 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -51.6 | 141.7 | -165.3 | -51.9 | -91.6 | 0 | 0 | 0 | 118.3 | ||||
| 39 | N | 29.4 | Very low | 31.2 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | -168.8 | 110.8 | 125.2 | -107.7 | -51.6 | 0 | 0 | 0 | 111.9 | |||||
| 40 | A | 31.1 | Very low | 30.9 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -156.3 | 71.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 41 | G | 28.2 | Very low | 31.2 | Very low | 63 Ų | 63 | 148.7 Ų | 148.7 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | trans | -100.9 | 116.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 42 | H | 31.4 | Very low | 31.1 | Very low | 195 Ų | 195 | 151.3 Ų | 151.3 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | trans | 170.9 | 133.4 | 133.4 | -94 | 84.2 | 0 | 0 | 0 | 111.3 | ||||
| 43 | H | 32.2 | Very low | 31.5 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -75.8 | 158.2 | 166.1 | -113.4 | -80.4 | 0 | 0 | 0 | 110.5 | ||||
| 44 | P | 33.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | -127.1 | -179.2 | 104.6 | 2.8 | 18.4 | 0 | 0 | 0 | 114.7 | |||||
| 45 | S | 28.9 | Very low | 31.6 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -101.5 | 152.5 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 46 | P | 41 | Very low | 32.2 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -81 | 126.2 | 178.9 | 31.5 | -35.1 | 0 | 0 | 0 | 113.8 | ||||
| 47 | Q | 31.7 | Very low | 32.6 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -169.8 | 117.4 | 153.5 | -109.7 | 142.1 | 101.5 | 0 | 0 | 109.8 | ||||
| 48 | D | 29.3 | Very low | 33.1 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | 179.7 | 117.6 | 124.3 | -100.9 | -13.6 | 0 | 0 | 0 | 110.9 | |||||
| 49 | Y | 33.5 | Very low | 33.3 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | -104.4 | 105.9 | 174.3 | 24.8 | -97.3 | 0 | 0 | 0 | 108.5 | ||||
| 50 | R | 30.2 | Very low | 33.5 | Very low | 240 Ų | 240 | 149.3 Ų | 149.3 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -138.7 | 119.2 | 173.1 | -141.6 | 173.3 | -170.6 | -179.6 | 2.6 | 112.9 | ||||
| 51 | L | 36.8 | Very low | 34.3 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -66.6 | 127.1 | 172.3 | -70.3 | 159.4 | 0 | 0 | 0 | 110.2 | ||||
| 52 | L | 30.7 | Very low | 35.2 | Very low | 161 Ų | 161 | 155.3 Ų | 155.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -134.9 | 126 | 148 | -79.8 | -179.5 | 0 | 0 | 0 | 109.5 | ||||
| 53 | T | 36.6 | Very low | 35.9 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -79.8 | 134.9 | 167.4 | 169 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 54 | T | 33.1 | Very low | 36.3 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -144.8 | 149.5 | 171.7 | -24.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 55 | D | 29.3 | Very low | 36.8 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 59% | 0.594 | 79% | 0.793 | S | S | * | * | trans | -75.9 | 138.9 | -166.8 | 179.6 | 71.2 | 0 | 0 | 0 | 114.3 | S57 | D55-S57 VanDerWaalsContact C-N 3.26Å; D55-S57 PolarHBondContact O-N 2.81Å; D55-S57 WeakPolarHBondContact OD2-CB 3.13Å; D55-S57 PolarHBondContact OD2-OG 3.19Å | ||
| 56 | P | 36.9 | Very low | 37.4 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 44.8 | -174.3 | 36.4 | -38.5 | 0 | 0 | 0 | 114.3 | ||
| 57 | S | 38.7 | Very low | 37.7 | Very low | 82 Ų | 82 | 152.9 Ų | 152.9 | 57% | 0.573 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | -2.6 | -179.2 | 69.2 | 0 | 0 | 0 | 0 | 115.8 | D55 | D55-S57 VanDerWaalsContact C-N 3.26Å; D55-S57 PolarHBondContact O-N 2.81Å; D55-S57 WeakPolarHBondContact OD2-CB 3.13Å; D55-S57 PolarHBondContact OD2-OG 3.19Å |
| 58 | Q | 42.3 | Very low | 38.4 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -128 | 50.1 | -167.2 | -73.1 | -76.8 | -11.2 | 0 | 0 | 113.9 | ||||
| 59 | L | 34.1 | Very low | 39.2 | Very low | 175 Ų | 175 | 152.1 Ų | 152.1 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -120.7 | 119.2 | 165.3 | -82.3 | 173.1 | 0 | 0 | 0 | 111.1 | ||||
| 60 | R | 33.3 | Very low | 39.7 | Very low | 243 Ų | 243 | 147.3 Ų | 147.3 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -79.4 | 143.3 | 177 | -138.3 | -177.3 | -166.9 | -178.2 | 3.1 | 109.3 | E62 | R60-E62 PolarHBondContact O-N 2.93Š| ||
| 61 | V | 48.5 | Very low | 40.6 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -81.1 | 102 | 168.8 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 62 | E | 47.4 | Very low | 41.2 | Very low | 163 Ų | 163 | 136 Ų | 136 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -163.3 | 164.4 | 146.8 | -84.1 | -43.4 | 145.4 | 0 | 0 | 107 | R60 | R60-E62 PolarHBondContact O-N 2.93Š| ||
| 63 | D | 46.3 | Very low | 41.9 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | trans | 60.3 | 71.9 | 178.7 | -68.2 | -45.7 | 0 | 0 | 0 | 116.9 | ||||
| 64 | L | 39.9 | Very low | 42.1 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -131.1 | 133.7 | 157.7 | -135.8 | 78.2 | 0 | 0 | 0 | 109.6 | ||||
| 65 | P | 43.2 | Very low | 42.8 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -66.8 | 137.3 | -177.6 | 25.6 | -34.2 | 0 | 0 | 0 | 112.5 | D67 | P65-D67 VanDerWaalsContact C-N 3.26Å; P65-D67 PolarHBondContact O-N 3.09Å | ||
| 66 | G | 43.4 | Very low | 43.5 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -74.3 | 30.4 | -160.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 67 | D | 46.1 | Very low | 43.8 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 13.1 | -172.3 | -148.8 | 23.5 | 0 | 0 | 0 | 114.3 | P65 | P65-D67 VanDerWaalsContact C-N 3.26Å; P65-D67 PolarHBondContact O-N 3.09Å |
| 68 | L | 46.1 | Very low | 44 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 61% | 0.613 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 2.1 | -178.9 | -70.7 | 176.6 | 0 | 0 | 0 | 115 | S70 L71 | L68-S70 PolarHBondContact O-N 2.95Å; L68-L71 HydrophobicContact CD2-CD1 4.11Å; L68-L71 PolarHBondContact O-N 2.89Å |
| 69 | Q | 47 | Very low | 44.3 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -71.9 | -12 | -177.7 | -158.3 | 152.4 | 17.6 | 0 | 0 | 113.7 | L71 | Q69-L71 VanDerWaalsContact C-N 3.32Å; Q69-L71 PolarHBondContact O-N 2.89Å |
| 70 | S | 44.2 | Very low | 44.8 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -80.8 | 2.3 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 115.3 | L68 | L68-S70 PolarHBondContact O-N 2.95Š|
| 71 | L | 48.6 | Very low | 45.3 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 47% | 0.466 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -111 | 8 | -175.5 | -63.9 | 179.9 | 0 | 0 | 0 | 115 | L68 Q69 W73 L74 | L68-L71 HydrophobicContact CD2-CD1 4.11Å; L68-L71 PolarHBondContact O-N 2.89Å; Q69-L71 VanDerWaalsContact C-N 3.32Å; Q69-L71 PolarHBondContact O-N 2.89Å; L71-W73 PolarHBondContact O-N 3.03Å; L71-W73 VanDerWaalsContact O-N 3.09Å; L71-L74 HydrophobicContact CD2-CD1 4.29Å; L71-L74 WeakPolarHBondContact O-CB 3.26Å; L71-L74 PolarHBondContact O-N 2.96Å |
| 72 | S | 49.9 | Very low | 45.2 | Very low | 86 Ų | 86 | 126 Ų | 126 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -61.8 | -18.7 | -177.9 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | L74 T75 | S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3.3Å; S72-T75 PolarHBondContact O-OG1 3.26Å |
| 73 | W | 44.4 | Very low | 45 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -72.8 | -19.7 | 175.5 | 69.1 | -90.7 | 0 | 0 | 0 | 113.6 | L71 | L71-W73 PolarHBondContact O-N 3.03Å; L71-W73 VanDerWaalsContact O-N 3.09Å |
| 74 | L | 41.8 | Very low | 45.1 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 57% | 0.565 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -84 | -9.7 | -173.7 | -109.2 | 160.4 | 0 | 0 | 0 | 114.1 | L71 S72 | L71-L74 HydrophobicContact CD2-CD1 4.29Å; L71-L74 WeakPolarHBondContact O-CB 3.26Å; L71-L74 PolarHBondContact O-N 2.96Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3.3Å |
| 75 | T | 47.4 | Very low | 45 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -108.1 | -8.8 | -177 | 48.2 | 0 | 0 | 0 | 0 | 114.4 | S72 V77 | S72-T75 PolarHBondContact O-OG1 3.26Å; T75-V77 PolarHBondContact O-N 3.13Å; T75-V77 VanDerWaalsContact O-N 3.07Å |
| 76 | S | 44.2 | Very low | 45 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | trans | -87.4 | 68.8 | -174.1 | -63.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 77 | V | 43.3 | Very low | 45 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | trans | -91.8 | 109.1 | 164.5 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | T75 M79 | T75-V77 PolarHBondContact O-N 3.13Å; T75-V77 VanDerWaalsContact O-N 3.07Å; V77-M79 VanDerWaalsContact C-N 3.31Å; V77-M79 PolarHBondContact O-N 2.81Å | ||
| 78 | D | 41.8 | Very low | 44.7 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 57% | 0.572 | 65% | 0.648 | S | S | * | * | trans | -75.7 | 74.4 | -172.6 | -170.3 | 27.4 | 0 | 0 | 0 | 112.6 | R81 | D78-R81 PolarHBondContact O-N 2.69Å; D78-R81 VanDerWaalsContact O-N 3.12Å | ||
| 79 | M | 49.8 | Very low | 44.6 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 67% | 0.665 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.7 | -40.9 | -176.1 | -88.3 | -69.7 | -173.9 | 0 | 0 | 116.2 | V77 R81 L82 | V77-M79 VanDerWaalsContact C-N 3.31Å; V77-M79 PolarHBondContact O-N 2.81Å; M79-R81 PolarHBondContact O-N 2.86Å; M79-R81 VanDerWaalsContact O-N 3.14Å; M79-L82 PolarHBondContact O-N 3.32Å |
| 80 | P | 44.6 | Very low | 44.1 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 62% | 0.623 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -57.2 | -30.2 | 179.6 | -26.6 | 35.7 | 0 | 0 | 0 | 114 | ||
| 81 | R | 42.9 | Very low | 43.5 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 65% | 0.653 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79.7 | -17.3 | -173 | -158.3 | 171.7 | -176.5 | -169.2 | -0.4 | 114 | D78 M79 | D78-R81 PolarHBondContact O-N 2.69Å; D78-R81 VanDerWaalsContact O-N 3.12Å; M79-R81 PolarHBondContact O-N 2.86Å; M79-R81 VanDerWaalsContact O-N 3.14Å |
| 82 | L | 45.9 | Very low | 42.6 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.9 | -36.7 | 176 | -168.2 | 63.8 | 0 | 0 | 0 | 111.8 | M79 Q84 M85 | M79-L82 PolarHBondContact O-N 3.32Å; L82-Q84 VanDerWaalsContact C-N 3.32Å; L82-Q84 PolarHBondContact O-N 3.42Å; L82-M85 PolarHBondContact O-N 3.01Å |
| 83 | Q | 44.7 | Very low | 41.6 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 54% | 0.542 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -59.8 | -42.2 | 176.6 | -175.3 | 59.7 | 48.3 | 0 | 0 | 111.6 | M85 A86 D87 | Q83-M85 PolarHBondContact O-N 2.68Å; Q83-A86 WeakPolarHBondContact O-CB 3.43Å; Q83-A86 PolarHBondContact O-N 2.79Å; Q83-D87 PolarHBondContact NE2-OD2 2.89Å |
| 84 | Q | 47.2 | Very low | 40.8 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -63.7 | -14.7 | -177.2 | -160.1 | 171.5 | 42.4 | 0 | 0 | 114.4 | L82 | L82-Q84 VanDerWaalsContact C-N 3.32Å; L82-Q84 PolarHBondContact O-N 3.42Å |
| 85 | M | 38.8 | Very low | 40.9 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -87.1 | -19.6 | 173.6 | -61.5 | -170.4 | -173 | 0 | 0 | 113.5 | L82 Q83 | L82-M85 PolarHBondContact O-N 3.01Å; Q83-M85 PolarHBondContact O-N 2.68Å |
| 86 | A | 44 | Very low | 39.9 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -74.1 | -41.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q83 S88 | Q83-A86 WeakPolarHBondContact O-CB 3.43Å; Q83-A86 PolarHBondContact O-N 2.79Å; A86-S88 PolarHBondContact O-N 3.04Å; A86-S88 VanDerWaalsContact O-N 3.14Å |
| 87 | D | 43.3 | Very low | 39.2 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 2.8 | -171 | -58.5 | -50.6 | 0 | 0 | 0 | 114.3 | Q83 | Q83-D87 PolarHBondContact NE2-OD2 2.89Š|
| 88 | S | 38.5 | Very low | 38.4 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 14.6 | -178.5 | -63.8 | 0 | 0 | 0 | 0 | 114.8 | A86 | A86-S88 PolarHBondContact O-N 3.04Å; A86-S88 VanDerWaalsContact O-N 3.14Å |
| 89 | R | 44.6 | Very low | 37.8 | Very low | 247 Ų | 247 | 128 Ų | 128 | 93% | 0.932 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -133.5 | 80.1 | 173.4 | -84.6 | -167.1 | 169.6 | -158 | -2.1 | 113 | ||
| 90 | G | 35.9 | Very low | 36.8 | Very low | 55 Ų | 55 | 128.4 Ų | 128.4 | 57% | 0.567 | 73% | 0.732 | S | S | * | * | trans | -178.1 | 154.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 91 | H | 31.5 | Very low | 36.1 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 93% | 0.931 | 74% | 0.735 | S | S | * | * | trans | 70.3 | 92.9 | 170.3 | -45.6 | 99.3 | 0 | 0 | 0 | 117.4 | ||||
| 92 | S | 29.4 | Very low | 35.4 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -118.2 | 124.4 | 141.5 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 93 | N | 30.2 | Very low | 34.8 | Very low | 166 Ų | 166 | 130 Ų | 130 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | trans | 65.1 | 119.9 | 166.8 | -53.7 | -15.7 | 0 | 0 | 0 | 119.2 | ||||
| 94 | G | 27.5 | Very low | 34.1 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | -97.2 | -138.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 95 | P | 43.3 | Very low | 33.1 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | cis | -131.3 | 174.8 | -7.3 | 42.2 | -28 | 0 | 0 | 0 | 114 | ||||
| 96 | S | 26.7 | Very low | 32.8 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 165.6 | 146.9 | 134.4 | 47.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 97 | Q | 29 | Very low | 32.1 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | 46.5 | 127.3 | 146.5 | -59.7 | -72.1 | 12.4 | 0 | 0 | 122.5 | ||||
| 98 | G | 27.5 | Very low | 31.4 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 172.3 | 129.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 99 | S | 29.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -45.8 | 148.6 | 177.1 | -158.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 100 | L | 28.7 | Very low | 30.4 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | cis | 75.7 | 141.7 | 34.9 | -167.7 | 148 | 0 | 0 | 0 | 114.6 | ||||
| 101 | L | 28.9 | Very low | 30 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 77.1 | 150.4 | -167.2 | -113.8 | 65.4 | 0 | 0 | 0 | 113.8 | ||||
| 102 | E | 29.5 | Very low | 29.9 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | cis | -153.9 | 138.9 | 7.8 | -166.7 | 142.4 | 46.9 | 0 | 0 | 115 | ||||
| 103 | Q | 32 | Very low | 30 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | 60.5 | 99.7 | 137.8 | -159.3 | 171.8 | 113.8 | 0 | 0 | 125.6 | ||||
| 104 | Q | 30 | Very low | 31.1 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | 31.8 | 126.2 | 111.1 | -175.7 | 178.8 | 95.8 | 0 | 0 | 122.6 | |||||
| 105 | T | 26.7 | Very low | 31.2 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | 160.1 | 140.7 | 141.7 | -73.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 106 | A | 31.9 | Very low | 30.5 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -123.4 | 158.9 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 107 | Q | 30 | Very low | 30.8 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 46.3 | 134 | 72.5 | -63.8 | -162.5 | 0.4 | 0 | 0 | 115 | |||||
| 108 | L | 29.4 | Very low | 30.9 | Very low | 136 Ų | 136 | 133 Ų | 133 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | cis | -159.1 | -176.7 | -0 | -121.9 | 171.7 | 0 | 0 | 0 | 111.4 | ||||
| 109 | N | 32.2 | Very low | 31.2 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 82.5 | 142.5 | 174.7 | -52.9 | -15.5 | 0 | 0 | 0 | 117.5 | ||||
| 110 | S | 28.9 | Very low | 31.2 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | -170 | 144.1 | -42.1 | 41.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | M | 27.8 | Very low | 31.5 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -31.8 | 150.5 | 177.1 | -53.3 | 165.9 | -166.5 | 0 | 0 | 117.4 | ||||
| 112 | T | 28.5 | Very low | 31.7 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | 178.4 | 115.6 | 87.9 | -66.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 113 | I | 31.8 | Very low | 31.8 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | 76.7 | 145.3 | 89.5 | -74.8 | -68.2 | 0 | 0 | 0 | 115.3 | |||||
| 114 | P | 54 | Low | 31.7 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -127.4 | 178.1 | -144.5 | 44.3 | -30.7 | 0 | 0 | 0 | 117.6 | ||||
| 115 | V | 29.5 | Very low | 31.8 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | trans | -162.4 | 139.4 | 164.1 | 139.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 116 | S | 29.1 | Very low | 32.1 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | 111.7 | 104.2 | 9 | 79.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 117 | Q | 32.9 | Very low | 32.3 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | trans | -179.7 | 130 | 150.2 | -98.2 | 153.1 | 102.6 | 0 | 0 | 107.9 | ||||
| 118 | S | 30.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | 67.6 | 116.5 | 65 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 119 | S | 34.1 | Very low | 32.4 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | cis | -177.8 | 177.2 | 38.4 | -81.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 120 | M | 29.4 | Very low | 32.4 | Very low | 151 Ų | 151 | 133 Ų | 133 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | cis | -164.7 | 155.6 | -4.1 | -124.9 | -158.8 | -45.3 | 0 | 0 | 110.8 | ||||
| 121 | L | 34.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 61.8 | 150.4 | 157.1 | -56.5 | 171.1 | 0 | 0 | 0 | 117.6 | ||||
| 122 | H | 33.4 | Very low | 33.8 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -152.3 | 130 | 27.5 | -171.1 | -121.2 | 0 | 0 | 0 | 108.6 | ||||
| 123 | L | 30.3 | Very low | 33.9 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | 44.7 | 130.5 | 97.3 | -125.3 | 68.6 | 0 | 0 | 0 | 114.7 | |||||
| 124 | Q | 31 | Very low | 34 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | cis | -152.3 | 155.8 | 34.4 | 174.6 | 87.2 | -1.8 | 0 | 0 | 112.8 | ||||
| 125 | S | 32.3 | Very low | 33.7 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | trans | -40.2 | 173 | 158.3 | -117.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 126 | T | 33.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | cis | -163.7 | 140 | 32.1 | 0.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 127 | M | 34.8 | Very low | 33.8 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | 61.3 | 135.3 | 87.5 | -63.3 | -81.7 | 97.1 | 0 | 0 | 116.2 | |||||
| 128 | Q | 33 | Very low | 33.8 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | cis | -116.9 | -120.1 | -5.9 | -60.2 | -174.1 | -3.9 | 0 | 0 | 111.9 | ||||
| 129 | H | 28.8 | Very low | 33.9 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 73% | 0.731 | 73% | 0.732 | S | S | * | * | cis | -147.7 | 173.5 | 4.7 | -109.2 | -44 | 0 | 0 | 0 | 112.2 | ||||
| 130 | S | 32.3 | Very low | 33.7 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -158.9 | -175.2 | 175.5 | -63 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 131 | P | 53.7 | Low | 33.9 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | cis | -150.6 | -176.7 | 10.2 | 44.1 | -22.6 | 0 | 0 | 0 | 118.9 | ||||
| 132 | L | 32.8 | Very low | 34.3 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 75.4 | 138.3 | 136.6 | -83.3 | 161.2 | 0 | 0 | 0 | 125.1 | ||||
| 133 | M | 30.1 | Very low | 34.5 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | 85.1 | 114.1 | 147.4 | -69.6 | -69.6 | 101.2 | 0 | 0 | 123.2 | ||||
| 134 | S | 34.7 | Very low | 35.1 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | -86.9 | 165.8 | 150.3 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 135 | P | 47.6 | Very low | 35 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | -159.8 | 173.1 | 93 | 43.2 | -24.1 | 0 | 0 | 0 | 119.2 | |||||
| 136 | F | 31.4 | Very low | 35.1 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | 64.2 | 109.1 | 154.4 | -60.3 | -53.4 | 0 | 0 | 0 | 124.7 | ||||
| 137 | S | 29.5 | Very low | 34.9 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | 48.4 | 117.3 | 123 | -50.2 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 138 | M | 32.3 | Very low | 34.6 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | 175.7 | 147.1 | 105.4 | -100.2 | -62.5 | -170.3 | 0 | 0 | 115.7 | |||||
| 139 | N | 32.8 | Very low | 35 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 20.3 | 132.3 | 157.3 | -64.3 | -12 | 0 | 0 | 0 | 123.6 | ||||
| 140 | G | 28.6 | Very low | 35 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 168 | 127.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 141 | L | 34.9 | Very low | 35 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -93.9 | 173 | 162.2 | -85.2 | 96.9 | 0 | 0 | 0 | 109.8 | ||||
| 142 | P | 43 | Very low | 33.9 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | cis | -133.8 | -169.2 | 8.3 | 40.1 | -20.6 | 0 | 0 | 0 | 115.5 | ||||
| 143 | S | 36.4 | Very low | 33.6 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -62 | 159 | 170.2 | -33.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 144 | P | 42.8 | Very low | 33.8 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | -142.8 | -174.1 | 81.6 | 39.1 | -22.2 | 0 | 0 | 0 | 114.4 | |||||
| 145 | G | 29.5 | Very low | 34.2 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | -111.1 | 171.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 146 | Y | 33.5 | Very low | 33.3 | Very low | 208 Ų | 208 | 133.9 Ų | 133.9 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -135.8 | 134.6 | 174.9 | -65.3 | -88.6 | 0 | 0 | 0 | 107.6 | ||||
| 147 | Q | 29.6 | Very low | 33.3 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | 56 | 108.2 | 68.1 | -71 | -73.6 | 9.2 | 0 | 0 | 112.4 | |||||
| 148 | C | 30 | Very low | 33.3 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -111.2 | 128.4 | -178.6 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 149 | P | 40.8 | Very low | 33.1 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -87.1 | 147.4 | -174.5 | 33.5 | -35.1 | 0 | 0 | 0 | 114 | ||||
| 150 | T | 29.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -69.8 | 149 | 167.7 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | V152 | T150-V152 HydrophobicContact CG2-CG2 4.13Š| ||
| 151 | S | 32.1 | Very low | 32.7 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -116 | 152.7 | 163.7 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 152 | V | 30.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -141 | 165.4 | -162.8 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | T150 | T150-V152 HydrophobicContact CG2-CG2 4.13Š| ||
| 153 | Y | 27.1 | Very low | 31.4 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 87.5 | 141 | 161.4 | -134.9 | -95.1 | 0 | 0 | 0 | 116.4 | ||||
| 154 | Q | 33.1 | Very low | 31.1 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -164.5 | 159.8 | -32 | -160.4 | 141.3 | -57.9 | 0 | 0 | 107 | ||||
| 155 | P | 42.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -95.7 | 171.8 | -162.7 | 37.9 | -36.5 | 0 | 0 | 0 | 116.5 | ||||
| 156 | A | 29.4 | Very low | 30.6 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -106.9 | -179.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 157 | S | 31.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -139.6 | 160.7 | -145.2 | 62.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 158 | Q | 29.8 | Very low | 30.4 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 67.4 | 128.8 | 163.8 | -54.7 | -171.3 | 16.3 | 0 | 0 | 119.9 | ||||
| 159 | Q | 27.6 | Very low | 30.3 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | -172.1 | 152.9 | 91.2 | -91.8 | -72.4 | -51.5 | 0 | 0 | 109.5 | |||||
| 160 | V | 26.1 | Very low | 29.7 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -137.8 | 129.1 | 179.9 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 161 | Y | 27.7 | Very low | 29.8 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -112.1 | 125 | 172.5 | -73.5 | -79.2 | 0 | 0 | 0 | 110.7 | ||||
| 162 | S | 26.9 | Very low | 29.8 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -104.5 | 136.4 | 168.9 | -60 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 163 | L | 24.2 | Very low | 29.8 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -124.1 | 130.8 | 170.9 | -153.6 | 76.1 | 0 | 0 | 0 | 110.3 | ||||
| 164 | T | 29.3 | Very low | 29.9 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | -86.5 | 152.9 | 178 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 165 | Q | 33.1 | Very low | 29.8 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -134.8 | 144.5 | 157.9 | -103 | -172.7 | 84.8 | 0 | 0 | 112.1 | ||||
| 166 | T | 28.7 | Very low | 29.3 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -67.5 | 144.2 | -174.8 | 45.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 167 | G | 29.5 | Very low | 29.3 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -96.1 | 155.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 168 | Q | 29.1 | Very low | 29.5 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -147 | 174.2 | 160.2 | -115.8 | 174.9 | 13.3 | 0 | 0 | 110.8 | ||||
| 169 | Q | 29.5 | Very low | 29.7 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -83.9 | 168.9 | -159.5 | -61.3 | 166.2 | -13.1 | 0 | 0 | 111.7 | ||||
| 170 | C | 27.4 | Very low | 30.1 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | -164 | 164.7 | 70.2 | -78.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 171 | S | 32.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 92% | 0.916 | 83% | 0.833 | S | S | * | * | trans | -110.8 | 136.7 | -174.9 | -54.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 172 | A | 31.4 | Very low | 31 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -157.8 | 146.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 173 | G | 30 | Very low | 31.3 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | cis | 108.6 | 73 | 7.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 174 | G | 30.3 | Very low | 32.2 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -173.1 | 109.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 175 | L | 30.6 | Very low | 32.4 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -56.2 | 144.3 | -176.9 | -65.1 | 161.7 | 0 | 0 | 0 | 114.6 | ||||
| 176 | Y | 30.9 | Very low | 32.9 | Very low | 210 Ų | 210 | 137.7 Ų | 137.7 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -53.4 | 145.2 | 162.1 | 6.8 | -97.8 | 0 | 0 | 0 | 112.2 | ||||
| 177 | S | 30.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | trans | -144.6 | 146.8 | 162.9 | -75.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 178 | N | 34.1 | Very low | 33.8 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -135.9 | -173.2 | -174.4 | -165.1 | -0.9 | 0 | 0 | 0 | 108.3 | ||||
| 179 | V | 34.3 | Very low | 34.4 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | trans | 96.7 | 117.9 | 178.6 | -175.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 180 | S | 37.3 | Very low | 35.2 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 163.5 | 172.1 | -34.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 181 | F | 35.2 | Very low | 35.9 | Very low | 211 Ų | 211 | 144 Ų | 144 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | -159.7 | 161.3 | 127 | -107.8 | -68.1 | 0 | 0 | 0 | 112.3 | |||||
| 182 | N | 37 | Very low | 36.5 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -95.6 | 139.7 | -176.2 | 171.7 | 27.6 | 0 | 0 | 0 | 110.8 | ||||
| 183 | N | 32.4 | Very low | 36.9 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -160.1 | 161.8 | 145.2 | -122 | -42.7 | 0 | 0 | 0 | 115.1 | ||||
| 184 | Q | 43 | Very low | 37.6 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -87.7 | 163.3 | -179.2 | -53.5 | 178.2 | 30.6 | 0 | 0 | 112.2 | ||||
| 185 | S | 33.7 | Very low | 37.9 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -146.1 | 134.3 | 157.4 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 186 | L | 44.6 | Very low | 38.3 | Very low | 152 Ų | 152 | 154 Ų | 154 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | trans | -103.5 | 123 | 177.4 | -72 | 159 | 0 | 0 | 0 | 108.6 | ||||
| 187 | F | 41.1 | Very low | 38.7 | Very low | 203 Ų | 203 | 151 Ų | 151 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -143.6 | 149.5 | 161 | -103.9 | -77.9 | 0 | 0 | 0 | 112.5 | ||||
| 188 | T | 35.6 | Very low | 39.3 | Very low | 136 Ų | 136 | 153.1 Ų | 153.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -102.9 | 161.2 | -170.4 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 189 | Q | 41.3 | Very low | 40 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | trans | -56.6 | 171.5 | -175.8 | -53.8 | -176.7 | 0.6 | 0 | 0 | 114.9 | ||||
| 190 | P | 45.5 | Very low | 40.4 | Very low | 133 Ų | 133 | 154 Ų | 154 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | -118.7 | 148.7 | 104.6 | 34.6 | -35 | 0 | 0 | 0 | 114.7 | |||||
| 191 | R | 43.4 | Very low | 41.2 | Very low | 215 Ų | 215 | 154.6 Ų | 154.6 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -88.4 | 136.1 | -177.3 | 174.4 | -178.7 | 173.8 | -173.7 | -1 | 110.9 | ||||
| 192 | L | 43.7 | Very low | 42.4 | Very low | 168 Ų | 168 | 150.6 Ų | 150.6 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | -117.6 | 170.3 | 165.2 | -69.7 | 177 | 0 | 0 | 0 | 111.1 | ||||
| 193 | A | 40 | Very low | 44.3 | Very low | 86 Ų | 86 | 149.9 Ų | 149.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -71.5 | 161.8 | -160.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q195 | A193-Q195 PolarHBondContact O-N 3.37Å; A193-Q195 VanDerWaalsContact O-N 3.14Å | ||
| 194 | P | 44.1 | Very low | 46.8 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -67.1 | 111.2 | 172.3 | -10.7 | 26.9 | 0 | 0 | 0 | 109.6 | ||||
| 195 | Q | 36.8 | Very low | 49.1 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -81.5 | 121.4 | 169.4 | -169.7 | 175.7 | 16.7 | 0 | 0 | 108.6 | A193 Q197 | A193-Q195 PolarHBondContact O-N 3.37Å; A193-Q195 VanDerWaalsContact O-N 3.14Å; Q195-Q197 PolarHBondContact O-N 2.86Å | ||
| 196 | E | 40.3 | Very low | 51.9 | Low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | trans | -63.5 | 108 | 174 | -68.4 | -176.7 | 109.3 | 0 | 0 | 109 | E198 | E196-E198 VanDerWaalsContact C-N 3.26Å; E196-E198 PolarHBondContact O-N 3.33Å | ||
| 197 | Q | 39.2 | Very low | 54.2 | Low | 146 Ų | 146 | 134.3 Ų | 134.3 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | trans | -85.1 | 68.2 | -168.2 | -167.1 | 179.3 | 74.9 | 0 | 0 | 110.9 | Q195 L199 | Q195-Q197 PolarHBondContact O-N 2.86Å; Q197-L199 PolarHBondContact O-N 3.43Å; Q197-L199 VanDerWaalsContact O-N 3.08Å | ||
| 198 | E | 41.9 | Very low | 56.7 | Low | 170 Ų | 170 | 127.5 Ų | 127.5 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | trans | -65 | 108.7 | 179.4 | -169 | 169.6 | 111.8 | 0 | 0 | 111.6 | E196 Q200 | E196-E198 VanDerWaalsContact C-N 3.26Å; E196-E198 PolarHBondContact O-N 3.33Å; E198-Q200 VanDerWaalsContact C-N 3.34Å; E198-Q200 PolarHBondContact O-N 3.35Å | ||
| 199 | L | 50.2 | Low | 59.5 | Low | 152 Ų | 152 | 121.4 Ų | 121.4 | 80% | 0.796 | 63% | 0.628 | S | S | * | * | trans | 46.8 | 39.7 | 146.8 | -54.4 | 179.2 | 0 | 0 | 0 | 118.6 | Q197 P201 | Q197-L199 PolarHBondContact O-N 3.43Å; Q197-L199 VanDerWaalsContact O-N 3.08Å; L199-P201 WeakPolarHBondContact O-CD 3.49Å | ||
| 200 | Q | 42.6 | Very low | 62.1 | Low | 151 Ų | 151 | 116.8 Ų | 116.8 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | trans | -56.5 | 124.7 | 142.9 | -78.1 | -62.2 | -45.3 | 0 | 0 | 108.2 | E198 K202 | E198-Q200 VanDerWaalsContact C-N 3.34Å; E198-Q200 PolarHBondContact O-N 3.35Å; Q200-K202 VanDerWaalsContact C-N 3.31Å; Q200-K202 PolarHBondContact O-N 2.99Å | ||
| 201 | P | 53.4 | Low | 64.5 | Low | 112 Ų | 112 | 113.1 Ų | 113.1 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | trans | -69.8 | 91.4 | -179.1 | 27.8 | -33.4 | 0 | 0 | 0 | 109 | L199 S203 | L199-P201 WeakPolarHBondContact O-CD 3.49Å; P201-S203 PolarHBondContact O-N 2.85Å | ||
| 202 | K | 60.8 | Low | 67 | Low | 127 Ų | 127 | 103.4 Ų | 103.4 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | trans | -52.9 | 105.7 | 176.7 | -73.9 | 167.5 | -179.9 | 170.8 | 0 | 107.8 | Q200 F204 | Q200-K202 VanDerWaalsContact C-N 3.31Å; Q200-K202 PolarHBondContact O-N 2.99Å; K202-F204 VanDerWaalsContact C-N 3.35Å; K202-F204 HydrophobicContact CB-CE2 4.05Å; K202-F204 HydrophobicContact CB-CZ 4.36Å; K202-F204 WeakPolarHBondContact O-CD2 3.48Å; K202-F204 VanDerWaalsContact O-CE2 3.31Å; K202-F204 WeakPolarHBondContact O-CE2 3.23Å; K202-F204 PolarHBondContact O-N 3.25Å | ||
| 203 | S | 76.6 | Confident | 69.5 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 82% | 0.818 | 51% | 0.506 | S | S | * | . | trans | -75 | 91 | -174.4 | -170 | 0 | 0 | 0 | 0 | 108.7 | P201 | P201-S203 PolarHBondContact O-N 2.85Š| ||
| 204 | F | 86.1 | Confident | 72.2 | Confident | 60 Ų | 60 | 91.5 Ų | 91.5 | 26% | 0.263 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 122.4 | -178.4 | -70.7 | -89.7 | 0 | 0 | 0 | 109 | K202 P241 M310 | K202-F204 VanDerWaalsContact C-N 3.35Å; K202-F204 HydrophobicContact CB-CE2 4.05Å; K202-F204 HydrophobicContact CB-CZ 4.36Å; K202-F204 WeakPolarHBondContact O-CD2 3.48Å; K202-F204 VanDerWaalsContact O-CE2 3.31Å; K202-F204 WeakPolarHBondContact O-CE2 3.23Å; K202-F204 PolarHBondContact O-N 3.25Å; F204-P241 HydrophobicContact CB-CB 4.45Å; F204-P241 HydrophobicContact CD1-CG 4.26Å; F204-P241 HydrophobicContact CD2-CB 3.5Å; F204-P241 VanDerWaalsContact CD2-CB 3.5Å; F204-P241 HydrophobicContact CD2-CG 3.8Å; F204-P241 HydrophobicContact CE1-CG 4.27Å; F204-P241 HydrophobicContact CE2-CB 3.84Å; F204-P241 HydrophobicContact CE2-CG 3.81Å; F204-P241 HydrophobicContact CG-CB 3.97Å; F204-P241 HydrophobicContact CG-CG 4.03Å; F204-P241 HydrophobicContact CZ-CG 4.05Å; F204-M310 WeakPolarHBondContact CE1-O 3.2Å |
| 205 | P | 91.1 | Very high | 74.7 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 35% | 0.351 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 151 | 178 | 26.9 | -35 | 0 | 0 | 0 | 110.2 | R308 S309 | P205-R308 WeakPolarHBondContact CD-O 3.35Å; P205-R308 HydrophobicContact CG-CB 4.2Å; P205-S309 WeakPolarHBondContact O-CB 3.38Å |
| 206 | K | 92 | Very high | 77.5 | Confident | 131 Ų | 131 | 76.6 Ų | 76.6 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 127.8 | 172.8 | -179.7 | -179.6 | 173.1 | -172.3 | 0 | 109.7 | I208 Y242 | K206-I208 PolarHBondContact O-N 3.08Å; K206-Y242 HydrophobicContact CB-CD1 4.33Å; K206-Y242 HydrophobicContact CB-CD2 4.16Å; K206-Y242 HydrophobicContact CB-CE1 4Å; K206-Y242 HydrophobicContact CB-CE2 3.82Å; K206-Y242 HydrophobicContact CB-CG 4.41Å; K206-Y242 HydrophobicContact CD-CE1 4.41Å; K206-Y242 HydrophobicContact CG-CD1 4.28Å; K206-Y242 HydrophobicContact CG-CE1 3.76Å; K206-Y242 HydrophobicContact CG-CE2 4.45Å |
| 207 | P | 92.6 | Very high | 80.1 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 139.1 | 177.5 | -25.7 | 35.4 | 0 | 0 | 0 | 111.7 | Y209 F240 F243 | P207-Y209 VanDerWaalsContact C-N 3.25Å; P207-Y209 PolarHBondContact O-N 3.09Å; P207-F240 HydrophobicContact CB-CD1 3.8Å; P207-F240 HydrophobicContact CB-CE1 4.15Å; P207-F240 HydrophobicContact CB-CG 4.43Å; P207-F240 HydrophobicContact CG-CB 3.67Å; P207-F240 HydrophobicContact CG-CD1 3.44Å; P207-F240 VanDerWaalsContact CG-CD1 3.44Å; P207-F240 HydrophobicContact CG-CE1 4.28Å; P207-F240 HydrophobicContact CG-CG 3.75Å; P207-F243 HydrophobicContact CG-CE2 3.89Å; P207-F243 HydrophobicContact CG-CZ 4.26Å |
| 208 | I | 93 | Very high | 82.8 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -71.3 | -25.2 | 176.4 | -61.7 | -167.7 | 0 | 0 | 0 | 111.2 | K206 S210 W298 D302 A305 | K206-I208 PolarHBondContact O-N 3.08Å; I208-S210 PolarHBondContact O-N 3.14Å; I208-W298 HydrophobicContact CG2-CD2 4.1Å; I208-W298 HydrophobicContact CG2-CE3 3.31Å; I208-W298 HydrophobicContact CG2-CH2 3.9Å; I208-W298 HydrophobicContact CG2-CZ3 3.18Å; I208-D302 HydrophobicContact CD1-CB 4.34Å; I208-A305 HydrophobicContact CD1-CB 3.42Å; I208-A305 VanDerWaalsContact CD1-CB 3.42Å; I208-A305 HydrophobicContact CG1-CB 4.25Å |
| 209 | Y | 94.4 | Very high | 85.3 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -57.9 | 133.8 | 174.2 | -78.4 | -55.3 | 0 | 0 | 0 | 112.7 | P207 C213 L214 M217 F240 M295 W298 I306 L316 I320 | P207-Y209 VanDerWaalsContact C-N 3.25Å; P207-Y209 PolarHBondContact O-N 3.09Å; Y209-C213 HydrophobicContact CD1-CB 3.68Å; Y209-C213 HydrophobicContact CG-CB 4.15Å; Y209-L214 HydrophobicContact CD2-CD2 4.44Å; Y209-L214 HydrophobicContact CG-CD2 4.49Å; Y209-M217 HydrophobicContact CD2-CE 4.21Å; Y209-M217 HydrophobicContact CE2-CE 3.79Å; Y209-F240 HydrophobicContact CD2-CE1 4.33Å; Y209-F240 HydrophobicContact CD2-CZ 4.21Å; Y209-M295 HydrophobicContact CE1-CB 4.37Å; Y209-M295 HydrophobicContact CE1-CG 3.75Å; Y209-M295 WeakPolarHBondContact CE1-O 3.45Å; Y209-M295 PolarHBondContact OH-O 3.39Å; Y209-M295 VanDerWaalsContact OH-O 3.11Å; Y209-W298 HydrophobicContact CD1-CB 3.91Å; Y209-W298 HydrophobicContact CD1-CG 4.25Å; Y209-W298 HydrophobicContact CE1-CB 3.53Å; Y209-W298 HydrophobicContact CE1-CG 4.32Å; Y209-I306 HydrophobicContact CD2-CG1 4.5Å; Y209-I306 HydrophobicContact CD2-CG2 4.14Å; Y209-I306 HydrophobicContact CE1-CD1 4.39Å; Y209-I306 HydrophobicContact CE2-CB 4.45Å; Y209-I306 HydrophobicContact CE2-CD1 4Å; Y209-I306 HydrophobicContact CE2-CG1 4.1Å; Y209-I306 HydrophobicContact CE2-CG2 3.46Å; Y209-I306 VanDerWaalsContact CE2-CG2 3.46Å; Y209-L316 HydrophobicContact CE2-CD1 4.18Å; Y209-I320 VanDerWaalsContact OH-CD1 3.3Å; Y209-I320 WeakPolarHBondContact OH-CD1 3.46Å |
| 210 | S | 95.6 | Very high | 87.3 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | trans | -64.7 | 156.5 | 171.7 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | I208 S212 C213 L214 | I208-S210 PolarHBondContact O-N 3.14Å; S210-S212 PolarHBondContact O-N 3.42Å; S210-S212 VanDerWaalsContact O-N 3.15Å; S210-C213 WeakPolarHBondContact O-CA 3.44Å; S210-C213 WeakPolarHBondContact O-CB 3.19Å; S210-C213 PolarHBondContact O-N 3.25Å; S210-C213 PolarHBondContact OG-N 2.89Å; S210-C213 PolarHBondContact OG-SG 2.85Å; S210-L214 WeakPolarHBondContact O-CG 3.4Å; S210-L214 PolarHBondContact O-N 2.8Å | ||
| 211 | Y | 96.8 | Very high | 89.6 | Confident | 56 Ų | 56 | 42.1 Ų | 42.1 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.1 | -36.8 | 175 | -70.1 | -65.5 | 0 | 0 | 0 | 112.5 | L214 I215 M236 F243 W250 V254 | Y211-L214 PolarHBondContact O-N 2.88Å; Y211-I215 WeakPolarHBondContact O-CB 3.39Å; Y211-I215 VanDerWaalsContact O-CD1 3.3Å; Y211-I215 WeakPolarHBondContact O-CD1 3.3Å; Y211-I215 WeakPolarHBondContact O-CG1 3.49Å; Y211-I215 PolarHBondContact O-N 2.93Å; Y211-M236 HydrophobicContact CD1-CE 4.04Å; Y211-M236 HydrophobicContact CE1-CE 4.2Å; Y211-F243 HydrophobicContact CE1-CE1 4.02Å; Y211-F243 HydrophobicContact CE1-CZ 4.37Å; Y211-W250 HydrophobicContact CE1-CB 4.29Å; Y211-V254 HydrophobicContact CD1-CG2 3.88Å; Y211-V254 HydrophobicContact CE1-CG2 4.3Å |
| 212 | S | 96.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 174 | -72.5 | 0 | 0 | 0 | 0 | 112.9 | S210 A216 N257 N261 F264 | S210-S212 PolarHBondContact O-N 3.42Å; S210-S212 VanDerWaalsContact O-N 3.15Å; S212-A216 VanDerWaalsContact O-CB 3.3Å; S212-A216 WeakPolarHBondContact O-CB 3.31Å; S212-A216 PolarHBondContact O-N 3.05Å; S212-N257 PolarHBondContact N-OD1 3.5Å; S212-N257 PolarHBondContact OG-OD1 3.07Å; S212-N261 PolarHBondContact OG-ND2 2.82Å; S212-F264 WeakPolarHBondContact O-CZ 3.43Å |
| 213 | C | 95.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 174.3 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | Y209 S210 A216 M217 | Y209-C213 HydrophobicContact CD1-CB 3.68Å; Y209-C213 HydrophobicContact CG-CB 4.15Å; S210-C213 WeakPolarHBondContact O-CA 3.44Å; S210-C213 WeakPolarHBondContact O-CB 3.19Å; S210-C213 PolarHBondContact O-N 3.25Å; S210-C213 PolarHBondContact OG-N 2.89Å; S210-C213 PolarHBondContact OG-SG 2.85Å; C213-A216 PolarHBondContact O-N 2.99Å; C213-M217 WeakPolarHBondContact O-CB 3.42Å; C213-M217 PolarHBondContact O-N 3.5Å |
| 214 | L | 96 | Very high | 93.1 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 179.9 | -65.6 | 171.6 | 0 | 0 | 0 | 112.4 | Y209 S210 Y211 M217 A218 M236 F240 F243 | Y209-L214 HydrophobicContact CD2-CD2 4.44Å; Y209-L214 HydrophobicContact CG-CD2 4.49Å; S210-L214 WeakPolarHBondContact O-CG 3.4Å; S210-L214 PolarHBondContact O-N 2.8Å; Y211-L214 PolarHBondContact O-N 2.88Å; L214-M217 PolarHBondContact O-N 2.91Å; L214-A218 PolarHBondContact O-N 3.48Å; L214-A218 VanDerWaalsContact O-N 3.13Å; L214-M236 HydrophobicContact CB-CG 4.45Å; L214-M236 HydrophobicContact CD1-CE 4.14Å; L214-F240 HydrophobicContact CD2-CD2 3.77Å; L214-F240 HydrophobicContact CD2-CE1 4.16Å; L214-F240 HydrophobicContact CD2-CE2 3.4Å; L214-F240 HydrophobicContact CD2-CG 4.32Å; L214-F240 HydrophobicContact CD2-CZ 3.61Å; L214-F243 HydrophobicContact CD1-CE2 3.81Å; L214-F243 HydrophobicContact CD1-CZ 3.66Å |
| 215 | I | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.6 | -68.9 | 160.3 | 0 | 0 | 0 | 110.4 | Y211 M217 A218 L219 I232 V254 N257 L258 F264 | Y211-I215 WeakPolarHBondContact O-CB 3.39Å; Y211-I215 VanDerWaalsContact O-CD1 3.3Å; Y211-I215 WeakPolarHBondContact O-CD1 3.3Å; Y211-I215 WeakPolarHBondContact O-CG1 3.49Å; Y211-I215 PolarHBondContact O-N 2.93Å; I215-M217 PolarHBondContact O-N 3.18Å; I215-A218 WeakPolarHBondContact O-CB 3.44Å; I215-A218 PolarHBondContact O-N 2.98Å; I215-L219 HydrophobicContact CG2-CD1 3.8Å; I215-L219 HydrophobicContact CG2-CG 4.38Å; I215-L219 WeakPolarHBondContact O-CG 3.44Å; I215-L219 PolarHBondContact O-N 2.75Å; I215-I232 HydrophobicContact CG1-CG2 4.05Å; I215-I232 HydrophobicContact CG2-CD1 4.43Å; I215-V254 HydrophobicContact CD1-CG1 4.17Å; I215-V254 HydrophobicContact CG1-CG1 4.22Å; I215-N257 HydrophobicContact CD1-CB 3.61Å; I215-L258 HydrophobicContact CD1-CD2 4.32Å; I215-L258 HydrophobicContact CD1-CG 4.16Å; I215-L258 HydrophobicContact CG2-CD2 3.61Å; I215-F264 HydrophobicContact CB-CE1 4.11Å; I215-F264 HydrophobicContact CB-CE2 4.36Å; I215-F264 HydrophobicContact CB-CZ 3.82Å; I215-F264 HydrophobicContact CD1-CE2 4.29Å; I215-F264 HydrophobicContact CG2-CD1 3.82Å; I215-F264 HydrophobicContact CG2-CD2 4.4Å; I215-F264 HydrophobicContact CG2-CE1 3.44Å; I215-F264 VanDerWaalsContact CG2-CE1 3.44Å; I215-F264 HydrophobicContact CG2-CE2 4.06Å; I215-F264 HydrophobicContact CG2-CG 4.3Å; I215-F264 HydrophobicContact CG2-CZ 3.58Å |
| 216 | A | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -38.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S212 C213 A218 L219 K220 F264 L283 M291 | S212-A216 VanDerWaalsContact O-CB 3.3Å; S212-A216 WeakPolarHBondContact O-CB 3.31Å; S212-A216 PolarHBondContact O-N 3.05Å; C213-A216 PolarHBondContact O-N 2.99Å; A216-A218 VanDerWaalsContact C-N 3.34Å; A216-L219 PolarHBondContact O-N 3.39Å; A216-K220 WeakPolarHBondContact O-CB 3.06Å; A216-K220 WeakPolarHBondContact O-CG 3.31Å; A216-K220 PolarHBondContact O-N 3.41Å; A216-F264 HydrophobicContact CB-CE1 4.24Å; A216-L283 HydrophobicContact CB-CD1 4.01Å; A216-M291 HydrophobicContact CB-CB 4.46Å; A216-M291 HydrophobicContact CB-CG 3.16Å; A216-M291 HydrophobicContact CB-SD 3.91Å |
| 217 | M | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 173.2 | -167.5 | -174.6 | -74.8 | 0 | 0 | 110.9 | Y209 C213 L214 I215 N221 F235 F240 M295 L316 L319 I320 | Y209-M217 HydrophobicContact CD2-CE 4.21Å; Y209-M217 HydrophobicContact CE2-CE 3.79Å; C213-M217 WeakPolarHBondContact O-CB 3.42Å; C213-M217 PolarHBondContact O-N 3.5Å; L214-M217 PolarHBondContact O-N 2.91Å; I215-M217 PolarHBondContact O-N 3.18Å; M217-N221 PolarHBondContact O-N 2.72Å; M217-N221 PolarHBondContact O-ND2 2.89Å; M217-F235 HydrophobicContact CB-CE1 4.2Å; M217-F235 HydrophobicContact CB-CZ 4.44Å; M217-F235 HydrophobicContact CG-CE1 4.02Å; M217-F235 HydrophobicContact CG-CZ 3.89Å; M217-F235 HydrophobicContact SD-CE1 4.23Å; M217-F235 HydrophobicContact SD-CZ 4.3Å; M217-F240 HydrophobicContact CE-CZ 4.28Å; M217-F240 HydrophobicContact SD-CE2 4.01Å; M217-F240 HydrophobicContact SD-CZ 3.98Å; M217-M295 HydrophobicContact CB-SD 4.04Å; M217-M295 HydrophobicContact CE-CG 4.31Å; M217-M295 HydrophobicContact CE-SD 3.54Å; M217-M295 VanDerWaalsContact CE-SD 3.54Å; M217-M295 HydrophobicContact CG-SD 4.2Å; M217-L316 HydrophobicContact CE-CD1 4.35Å; M217-L319 HydrophobicContact CG-CB 4.03Å; M217-L319 HydrophobicContact SD-CB 4.08Å; M217-L319 HydrophobicContact SD-CD1 4.04Å; M217-I320 HydrophobicContact CE-CG1 4.28Å |
| 218 | A | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L214 I215 A216 N221 S222 L227 F235 | L214-A218 PolarHBondContact O-N 3.48Å; L214-A218 VanDerWaalsContact O-N 3.13Å; I215-A218 WeakPolarHBondContact O-CB 3.44Å; I215-A218 PolarHBondContact O-N 2.98Å; A216-A218 VanDerWaalsContact C-N 3.34Å; A218-N221 PolarHBondContact O-N 2.91Å; A218-S222 PolarHBondContact O-N 2.99Å; A218-L227 HydrophobicContact CB-CD1 4.2Å; A218-L227 WeakPolarHBondContact O-CD1 3.44Å; A218-F235 HydrophobicContact CB-CB 3.94Å; A218-F235 HydrophobicContact CB-CD1 3.4Å; A218-F235 VanDerWaalsContact CB-CD1 3.4Å; A218-F235 HydrophobicContact CB-CD2 4.2Å; A218-F235 HydrophobicContact CB-CE1 3.94Å; A218-F235 HydrophobicContact CB-CG 3.56Å |
| 219 | L | 94.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.4 | -42.1 | -178.6 | -69.4 | 172.2 | 0 | 0 | 0 | 112.6 | I215 A216 N221 S222 L227 I232 F264 W281 L283 | I215-L219 HydrophobicContact CG2-CD1 3.8Å; I215-L219 HydrophobicContact CG2-CG 4.38Å; I215-L219 WeakPolarHBondContact O-CG 3.44Å; I215-L219 PolarHBondContact O-N 2.75Å; A216-L219 PolarHBondContact O-N 3.39Å; L219-N221 VanDerWaalsContact C-N 3.33Å; L219-N221 PolarHBondContact O-N 3.34Å; L219-S222 WeakPolarHBondContact O-CB 3.46Å; L219-S222 PolarHBondContact O-N 3.33Å; L219-S222 PolarHBondContact O-OG 3.33Å; L219-L227 HydrophobicContact CD2-CB 3.95Å; L219-L227 HydrophobicContact CD2-CD1 4.42Å; L219-L227 HydrophobicContact CD2-CG 4.21Å; L219-I232 HydrophobicContact CD2-CD1 4.5Å; L219-F264 HydrophobicContact CD1-CD1 3.7Å; L219-F264 HydrophobicContact CD1-CE1 4.03Å; L219-W281 WeakPolarHBondContact CD2-O 3.16Å; L219-L283 HydrophobicContact CB-CB 4.36Å; L219-L283 HydrophobicContact CD1-CB 4.34Å |
| 220 | K | 91.7 | Very high | 93.6 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 174.9 | -83.3 | -175.5 | 68.6 | -149.5 | 0 | 112.5 | A216 S222 L283 E292 M295 I320 | A216-K220 WeakPolarHBondContact O-CB 3.06Å; A216-K220 WeakPolarHBondContact O-CG 3.31Å; A216-K220 PolarHBondContact O-N 3.41Å; K220-S222 PolarHBondContact O-N 2.99Å; K220-L283 HydrophobicContact CG-CD2 4.17Å; K220-E292 WeakPolarHBondContact CE-OE2 3.2Å; K220-E292 IonicContact NZ-OE2 2.73Å; K220-E292 PolarHBondContact NZ-OE2 3.15Å; K220-M295 HydrophobicContact CD-CE 4.05Å; K220-I320 PolarHBondContact NZ-O 2.94Å |
| 221 | N | 90.9 | Very high | 93.6 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 31% | 0.305 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 2.6 | -177.4 | -69.8 | -80.4 | 0 | 0 | 0 | 113.1 | M217 A218 L219 F235 L319 | M217-N221 PolarHBondContact O-N 2.72Å; M217-N221 PolarHBondContact O-ND2 2.89Å; A218-N221 PolarHBondContact O-N 2.91Å; L219-N221 VanDerWaalsContact C-N 3.33Å; L219-N221 PolarHBondContact O-N 3.34Å; N221-F235 HydrophobicContact CB-CE2 4.08Å; N221-L319 HydrophobicContact CB-CD2 4.15Å; N221-L319 VanDerWaalsContact CG-CD2 3.47Å; N221-L319 PolarHBondContact ND2-O 3.39Å; N221-L319 WeakPolarHBondContact OD1-CD2 3.43Å |
| 222 | S | 91.4 | Very high | 93.5 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -78.2 | 133.2 | 173 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | A218 L219 K220 T224 G225 S226 | A218-S222 PolarHBondContact O-N 2.99Å; L219-S222 WeakPolarHBondContact O-CB 3.46Å; L219-S222 PolarHBondContact O-N 3.33Å; L219-S222 PolarHBondContact O-OG 3.33Å; K220-S222 PolarHBondContact O-N 2.99Å; S222-T224 PolarHBondContact O-N 3.16Å; S222-G225 PolarHBondContact O-N 2.99Å; S222-G225 VanDerWaalsContact O-N 3.15Å; S222-G225 VanDerWaalsContact OG-CA 3.27Å; S222-G225 WeakPolarHBondContact OG-CA 3Å; S222-G225 PolarHBondContact OG-N 2.98Å; S222-G225 VanDerWaalsContact OG-N 3.1Å; S222-S226 PolarHBondContact OG-N 3.06Å; S222-S226 VanDerWaalsContact OG-N 3.09Å |
| 223 | K | 87.1 | Confident | 93.5 | Very high | 189 Ų | 189 | 34.1 Ų | 34.1 | 82% | 0.822 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.1 | -179.7 | -62.7 | 178.7 | -178.6 | 176.8 | 0 | 113.8 | N326 | K223-N326 PolarHBondContact O-ND2 2.95Š|
| 224 | T | 86.9 | Confident | 93.5 | Very high | 111 Ų | 111 | 36.2 Ų | 36.2 | 68% | 0.681 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -5.5 | -173.2 | -42.2 | 0 | 0 | 0 | 0 | 113.1 | S222 S226 | S222-T224 PolarHBondContact O-N 3.16Å; T224-S226 PolarHBondContact O-N 2.83Å |
| 225 | G | 88.1 | Confident | 93.5 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 67.5 | 9.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | S222 | S222-G225 PolarHBondContact O-N 2.99Å; S222-G225 VanDerWaalsContact O-N 3.15Å; S222-G225 VanDerWaalsContact OG-CA 3.27Å; S222-G225 WeakPolarHBondContact OG-CA 3Å; S222-G225 PolarHBondContact OG-N 2.98Å; S222-G225 VanDerWaalsContact OG-N 3.1Å |
| 226 | S | 92.5 | Very high | 93.4 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 147.6 | 178.8 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | S222 T224 W281 | S222-S226 PolarHBondContact OG-N 3.06Å; S222-S226 VanDerWaalsContact OG-N 3.09Å; T224-S226 PolarHBondContact O-N 2.83Å; S226-W281 CarbonylContact C-O 3.52Å; S226-W281 WeakPolarHBondContact CA-O 3.45Å; S226-W281 VanDerWaalsContact CB-O 3.26Å; S226-W281 WeakPolarHBondContact CB-O 3.43Å |
| 227 | L | 94.4 | Very high | 93.4 | Very high | 28 Ų | 28 | 41 Ų | 41 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 147.2 | -177.2 | -68.7 | 178.2 | 0 | 0 | 0 | 111.5 | A218 L219 E231 I232 W281 | A218-L227 HydrophobicContact CB-CD1 4.2Å; A218-L227 WeakPolarHBondContact O-CD1 3.44Å; L219-L227 HydrophobicContact CD2-CB 3.95Å; L219-L227 HydrophobicContact CD2-CD1 4.42Å; L219-L227 HydrophobicContact CD2-CG 4.21Å; L227-E231 HydrophobicContact CB-CB 4.24Å; L227-E231 HydrophobicContact CD1-CB 4.17Å; L227-E231 HydrophobicContact CD2-CB 3.89Å; L227-E231 HydrophobicContact CD2-CG 4.26Å; L227-E231 HydrophobicContact CG-CB 4.33Å; L227-I232 HydrophobicContact CB-CG1 4.12Å; L227-I232 HydrophobicContact CD1-CG1 4.27Å; L227-W281 PolarHBondContact N-O 3.33Å; L227-W281 PolarHBondContact O-N 3.02Å |
| 228 | P | 94.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 160.1 | 162.1 | 34.3 | -34 | 0 | 0 | 0 | 110.1 | S230 E231 L280 | P228-S230 PolarHBondContact O-N 3.17Å; P228-S230 VanDerWaalsContact O-N 3.09Å; P228-E231 HydrophobicContact CG-CG 3.9Å; P228-E231 PolarHBondContact O-N 3.41Å; P228-E231 VanDerWaalsContact O-N 3.08Å; P228-L280 HydrophobicContact CB-CD2 4.08Å; P228-L280 HydrophobicContact CG-CD2 4.32Å |
| 229 | V | 94.8 | Very high | 93.2 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 19% | 0.194 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -26.8 | -175.5 | -165.3 | 0 | 0 | 0 | 0 | 113 | I232 Y233 R255 L258 | V229-I232 PolarHBondContact O-N 3.27Å; V229-Y233 HydrophobicContact CG1-CD1 4.46Å; V229-Y233 HydrophobicContact CG1-CE1 3.81Å; V229-Y233 HydrophobicContact CG1-CE2 3.99Å; V229-Y233 WeakPolarHBondContact O-CD2 2.85Å; V229-Y233 PolarHBondContact O-N 3.01Å; V229-Y233 VanDerWaalsContact O-N 3.14Å; V229-R255 HydrophobicContact CG1-CG 4.39Å; V229-L258 HydrophobicContact CG1-CD1 4.1Å; V229-L258 HydrophobicContact CG2-CD1 4.08Å |
| 230 | S | 94.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 174.9 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | P228 I232 Y233 S234 | P228-S230 PolarHBondContact O-N 3.17Å; P228-S230 VanDerWaalsContact O-N 3.09Å; S230-I232 VanDerWaalsContact C-N 3.34Å; S230-Y233 WeakPolarHBondContact O-CB 3.45Å; S230-Y233 PolarHBondContact O-N 3.46Å; S230-S234 PolarHBondContact O-N 3.11Å; S230-S234 PolarHBondContact O-OG 2.82Å |
| 231 | E | 95.2 | Very high | 93.3 | Very high | 87 Ų | 87 | 47 Ų | 47 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.3 | -31.3 | -178.4 | -60.7 | -35 | 112.4 | 0 | 0 | 111.6 | L227 P228 Y233 S234 F235 | L227-E231 HydrophobicContact CB-CB 4.24Å; L227-E231 HydrophobicContact CD1-CB 4.17Å; L227-E231 HydrophobicContact CD2-CB 3.89Å; L227-E231 HydrophobicContact CD2-CG 4.26Å; L227-E231 HydrophobicContact CG-CB 4.33Å; P228-E231 HydrophobicContact CG-CG 3.9Å; P228-E231 PolarHBondContact O-N 3.41Å; P228-E231 VanDerWaalsContact O-N 3.08Å; E231-Y233 VanDerWaalsContact C-N 3.33Å; E231-S234 PolarHBondContact O-N 3.1Å; E231-F235 WeakPolarHBondContact O-CB 3.43Å; E231-F235 PolarHBondContact O-N 3.39Å |
| 232 | I | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 172.5 | -57.5 | 174.2 | 0 | 0 | 0 | 109.8 | I215 L219 L227 V229 S230 S234 M236 V254 L258 | I215-I232 HydrophobicContact CG1-CG2 4.05Å; I215-I232 HydrophobicContact CG2-CD1 4.43Å; L219-I232 HydrophobicContact CD2-CD1 4.5Å; L227-I232 HydrophobicContact CB-CG1 4.12Å; L227-I232 HydrophobicContact CD1-CG1 4.27Å; V229-I232 PolarHBondContact O-N 3.27Å; S230-I232 VanDerWaalsContact C-N 3.34Å; I232-S234 PolarHBondContact O-N 3.42Å; I232-M236 HydrophobicContact CG2-SD 4.19Å; I232-M236 WeakPolarHBondContact O-CB 3.23Å; I232-M236 VanDerWaalsContact O-CG 3.29Å; I232-M236 WeakPolarHBondContact O-CG 3.35Å; I232-M236 PolarHBondContact O-N 3.11Å; I232-V254 HydrophobicContact CG2-CG1 4.07Å; I232-L258 HydrophobicContact CD1-CD1 4.12Å; I232-L258 HydrophobicContact CD1-CD2 4.14Å |
| 233 | Y | 95.6 | Very high | 93.5 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 17% | 0.173 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 173.1 | -57.4 | -34.6 | 0 | 0 | 0 | 112.6 | V229 S230 E231 K237 W250 K251 V254 R255 | V229-Y233 HydrophobicContact CG1-CD1 4.46Å; V229-Y233 HydrophobicContact CG1-CE1 3.81Å; V229-Y233 HydrophobicContact CG1-CE2 3.99Å; V229-Y233 WeakPolarHBondContact O-CD2 2.85Å; V229-Y233 PolarHBondContact O-N 3.01Å; V229-Y233 VanDerWaalsContact O-N 3.14Å; S230-Y233 WeakPolarHBondContact O-CB 3.45Å; S230-Y233 PolarHBondContact O-N 3.46Å; E231-Y233 VanDerWaalsContact C-N 3.33Å; Y233-K237 WeakPolarHBondContact O-CE 3.37Å; Y233-K237 WeakPolarHBondContact O-CG 3.18Å; Y233-K237 PolarHBondContact O-N 3.04Å; Y233-W250 AromaticContact CD1-CH2 3.98Å; Y233-W250 HydrophobicContact CD1-CH2 3.98Å; Y233-W250 AromaticContact CD1-CZ3 3.7Å; Y233-W250 HydrophobicContact CD1-CZ3 3.7Å; Y233-W250 HydrophobicContact CE1-CZ3 4.44Å; Y233-W250 HydrophobicContact CG-CH2 4.26Å; Y233-W250 HydrophobicContact CG-CZ3 4.42Å; Y233-K251 HydrophobicContact CD1-CG 4.4Å; Y233-K251 HydrophobicContact CE1-CB 3.89Å; Y233-K251 HydrophobicContact CE1-CG 4.15Å; Y233-V254 HydrophobicContact CD1-CG1 4.31Å; Y233-V254 HydrophobicContact CE1-CB 4.19Å; Y233-V254 HydrophobicContact CE1-CG1 3.97Å; Y233-R255 WeakPolarHBondContact OH-CG 3.29Å; Y233-R255 PolarHBondContact OH-NH1 3.39Å; Y233-R255 VanDerWaalsContact OH-NH1 3.11Å |
| 234 | S | 95.9 | Very high | 93.7 | Very high | 46 Ų | 46 | 44.6 Ų | 44.6 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.1 | -54.2 | 176.6 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | S230 E231 I232 M236 K237 E238 | S230-S234 PolarHBondContact O-N 3.11Å; S230-S234 PolarHBondContact O-OG 2.82Å; E231-S234 PolarHBondContact O-N 3.1Å; I232-S234 PolarHBondContact O-N 3.42Å; S234-M236 VanDerWaalsContact C-N 3.31Å; S234-M236 PolarHBondContact O-N 3.2Å; S234-K237 PolarHBondContact O-N 3.46Å; S234-K237 VanDerWaalsContact O-N 3.12Å; S234-E238 WeakPolarHBondContact O-CB 3.31Å; S234-E238 PolarHBondContact O-N 3.48Å |
| 235 | F | 95.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.2 | -45.4 | 178.3 | -178.5 | -83.2 | 0 | 0 | 0 | 112 | M217 A218 N221 E231 E238 H239 L319 | M217-F235 HydrophobicContact CB-CE1 4.2Å; M217-F235 HydrophobicContact CB-CZ 4.44Å; M217-F235 HydrophobicContact CG-CE1 4.02Å; M217-F235 HydrophobicContact CG-CZ 3.89Å; M217-F235 HydrophobicContact SD-CE1 4.23Å; M217-F235 HydrophobicContact SD-CZ 4.3Å; A218-F235 HydrophobicContact CB-CB 3.94Å; A218-F235 HydrophobicContact CB-CD1 3.4Å; A218-F235 VanDerWaalsContact CB-CD1 3.4Å; A218-F235 HydrophobicContact CB-CD2 4.2Å; A218-F235 HydrophobicContact CB-CE1 3.94Å; A218-F235 HydrophobicContact CB-CG 3.56Å; N221-F235 HydrophobicContact CB-CE2 4.08Å; E231-F235 WeakPolarHBondContact O-CB 3.43Å; E231-F235 PolarHBondContact O-N 3.39Å; F235-E238 PolarHBondContact O-N 3.04Å; F235-H239 AromaticContact CD1-ND1 3.81Å; F235-H239 AromaticContact CD2-CE1 3.35Å; F235-H239 WeakPolarHBondContact CD2-CE1 3.45Å; F235-H239 AromaticContact CD2-ND1 3.48Å; F235-H239 WeakPolarHBondContact CD2-ND1 3.46Å; F235-H239 AromaticContact CE1-ND1 3.81Å; F235-H239 AromaticContact CE2-CE1 3.23Å; F235-H239 WeakPolarHBondContact CE2-CE1 3.35Å; F235-H239 AromaticContact CE2-ND1 3.49Å; F235-H239 WeakPolarHBondContact CE2-ND1 3.43Å; F235-H239 AromaticContact CE2-NE2 3.78Å; F235-H239 AromaticContact CG-CE1 3.99Å; F235-H239 AromaticContact CG-ND1 3.64Å; F235-H239 AromaticContact CZ-CE1 3.78Å; F235-H239 AromaticContact CZ-CG 3.98Å; F235-H239 AromaticContact CZ-ND1 3.64Å; F235-H239 PolarHBondContact O-N 3.07Å; F235-H239 PolarHBondContact O-ND1 3.11Å; F235-L319 HydrophobicContact CE2-CD2 4.2Å; F235-L319 HydrophobicContact CZ-CD2 4.07Å |
| 236 | M | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 177.8 | -75.7 | 176.8 | 63.3 | 0 | 0 | 112.1 | Y211 L214 I232 S234 F240 F243 W250 V254 | Y211-M236 HydrophobicContact CD1-CE 4.04Å; Y211-M236 HydrophobicContact CE1-CE 4.2Å; L214-M236 HydrophobicContact CB-CG 4.45Å; L214-M236 HydrophobicContact CD1-CE 4.14Å; I232-M236 HydrophobicContact CG2-SD 4.19Å; I232-M236 WeakPolarHBondContact O-CB 3.23Å; I232-M236 VanDerWaalsContact O-CG 3.29Å; I232-M236 WeakPolarHBondContact O-CG 3.35Å; I232-M236 PolarHBondContact O-N 3.11Å; S234-M236 VanDerWaalsContact C-N 3.31Å; S234-M236 PolarHBondContact O-N 3.2Å; M236-F240 CarbonylContact O-C 3.51Å; M236-F240 WeakPolarHBondContact O-CA 3.4Å; M236-F240 WeakPolarHBondContact O-CB 3.37Å; M236-F240 PolarHBondContact O-N 2.93Å; M236-F240 VanDerWaalsContact O-O 3.1Å; M236-F243 HydrophobicContact CB-CD2 3.95Å; M236-F243 HydrophobicContact CB-CE2 4.44Å; M236-F243 HydrophobicContact CB-CG 4.45Å; M236-F243 HydrophobicContact CE-CD1 4.04Å; M236-F243 HydrophobicContact CE-CD2 3.93Å; M236-F243 HydrophobicContact CE-CE1 3.76Å; M236-F243 HydrophobicContact CE-CE2 3.64Å; M236-F243 HydrophobicContact CE-CG 4.12Å; M236-F243 HydrophobicContact CE-CZ 3.56Å; M236-W250 HydrophobicContact CB-CZ3 4.47Å; M236-W250 HydrophobicContact CE-CE3 3.84Å; M236-W250 HydrophobicContact CE-CZ3 3.82Å; M236-W250 HydrophobicContact SD-CZ3 4.04Å; M236-V254 HydrophobicContact CE-CG2 3.75Å; M236-V254 HydrophobicContact SD-CG2 3.63Å |
| 237 | K | 94.5 | Very high | 93.9 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 177.1 | -74 | 177.3 | -68.8 | 160.2 | 0 | 112.8 | Y233 S234 F243 K244 W250 | Y233-K237 WeakPolarHBondContact O-CE 3.37Å; Y233-K237 WeakPolarHBondContact O-CG 3.18Å; Y233-K237 PolarHBondContact O-N 3.04Å; S234-K237 PolarHBondContact O-N 3.46Å; S234-K237 VanDerWaalsContact O-N 3.12Å; K237-F243 HydrophobicContact CG-CB 4.12Å; K237-K244 HydrophobicContact CB-CG 4.03Å; K237-K244 HydrophobicContact CG-CG 4.34Å; K237-K244 WeakPolarHBondContact O-CE 3.47Å; K237-W250 HydrophobicContact CD-CZ2 4.49Å; K237-W250 HydrophobicContact CG-CH2 4.31Å; K237-W250 HydrophobicContact CG-CZ2 4.19Å |
| 238 | E | 94.3 | Very high | 93.6 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.3 | -57.8 | -179.2 | 178.8 | 172.7 | -139 | 0 | 0 | 110.9 | S234 F235 A311 | S234-E238 WeakPolarHBondContact O-CB 3.31Å; S234-E238 PolarHBondContact O-N 3.48Å; F235-E238 PolarHBondContact O-N 3.04Å; E238-A311 WeakPolarHBondContact O-CB 3.48Å |
| 239 | H | 92.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.9 | -29.8 | -173.8 | -61.9 | 82.8 | 0 | 0 | 0 | 113.2 | F235 M310 A311 | F235-H239 AromaticContact CD1-ND1 3.81Å; F235-H239 AromaticContact CD2-CE1 3.35Å; F235-H239 WeakPolarHBondContact CD2-CE1 3.45Å; F235-H239 AromaticContact CD2-ND1 3.48Å; F235-H239 WeakPolarHBondContact CD2-ND1 3.46Å; F235-H239 AromaticContact CE1-ND1 3.81Å; F235-H239 AromaticContact CE2-CE1 3.23Å; F235-H239 WeakPolarHBondContact CE2-CE1 3.35Å; F235-H239 AromaticContact CE2-ND1 3.49Å; F235-H239 WeakPolarHBondContact CE2-ND1 3.43Å; F235-H239 AromaticContact CE2-NE2 3.78Å; F235-H239 AromaticContact CG-CE1 3.99Å; F235-H239 AromaticContact CG-ND1 3.64Å; F235-H239 AromaticContact CZ-CE1 3.78Å; F235-H239 AromaticContact CZ-CG 3.98Å; F235-H239 AromaticContact CZ-ND1 3.64Å; F235-H239 PolarHBondContact O-N 3.07Å; F235-H239 PolarHBondContact O-ND1 3.11Å; H239-M310 CarbonylContact O-C 3.48Å; H239-M310 WeakPolarHBondContact O-CA 2.94Å; H239-A311 PolarHBondContact O-N 3.37Å |
| 240 | F | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -127.8 | 86.7 | -177.8 | -56.2 | -87.9 | 0 | 0 | 0 | 110.3 | P207 Y209 L214 M217 M236 Y242 F243 M310 | P207-F240 HydrophobicContact CB-CD1 3.8Å; P207-F240 HydrophobicContact CB-CE1 4.15Å; P207-F240 HydrophobicContact CB-CG 4.43Å; P207-F240 HydrophobicContact CG-CB 3.67Å; P207-F240 HydrophobicContact CG-CD1 3.44Å; P207-F240 VanDerWaalsContact CG-CD1 3.44Å; P207-F240 HydrophobicContact CG-CE1 4.28Å; P207-F240 HydrophobicContact CG-CG 3.75Å; Y209-F240 HydrophobicContact CD2-CE1 4.33Å; Y209-F240 HydrophobicContact CD2-CZ 4.21Å; L214-F240 HydrophobicContact CD2-CD2 3.77Å; L214-F240 HydrophobicContact CD2-CE1 4.16Å; L214-F240 HydrophobicContact CD2-CE2 3.4Å; L214-F240 HydrophobicContact CD2-CG 4.32Å; L214-F240 HydrophobicContact CD2-CZ 3.61Å; M217-F240 HydrophobicContact CE-CZ 4.28Å; M217-F240 HydrophobicContact SD-CE2 4.01Å; M217-F240 HydrophobicContact SD-CZ 3.98Å; M236-F240 CarbonylContact O-C 3.51Å; M236-F240 WeakPolarHBondContact O-CA 3.4Å; M236-F240 WeakPolarHBondContact O-CB 3.37Å; M236-F240 PolarHBondContact O-N 2.93Å; M236-F240 VanDerWaalsContact O-O 3.1Å; F240-Y242 PolarHBondContact O-N 2.77Å; F240-F243 HydrophobicContact CB-CD2 3.84Å; F240-F243 HydrophobicContact CB-CE2 3.91Å; F240-F243 WeakPolarHBondContact O-CD2 3.43Å; F240-F243 PolarHBondContact O-N 3.23Å; F240-M310 HydrophobicContact CD1-CG 3.61Å; F240-M310 HydrophobicContact CE1-CG 3.29Å; F240-M310 HydrophobicContact CE1-SD 4Å; F240-M310 HydrophobicContact CZ-CG 3.98Å; F240-M310 HydrophobicContact CZ-SD 4.22Å | ||
| 241 | P | 93.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.2 | -168.6 | -25.1 | 34.7 | 0 | 0 | 0 | 115.6 | F204 F243 K244 A311 | F204-P241 HydrophobicContact CB-CB 4.45Å; F204-P241 HydrophobicContact CD1-CG 4.26Å; F204-P241 HydrophobicContact CD2-CB 3.5Å; F204-P241 VanDerWaalsContact CD2-CB 3.5Å; F204-P241 HydrophobicContact CD2-CG 3.8Å; F204-P241 HydrophobicContact CE1-CG 4.27Å; F204-P241 HydrophobicContact CE2-CB 3.84Å; F204-P241 HydrophobicContact CE2-CG 3.81Å; F204-P241 HydrophobicContact CG-CB 3.97Å; F204-P241 HydrophobicContact CG-CG 4.03Å; F204-P241 HydrophobicContact CZ-CG 4.05Å; P241-F243 PolarHBondContact O-N 3.41Å; P241-K244 HydrophobicContact CB-CD 4.17Å; P241-K244 VanDerWaalsContact O-CB 3.23Å; P241-K244 WeakPolarHBondContact O-CB 3.35Å; P241-K244 WeakPolarHBondContact O-CG 3.32Å; P241-K244 PolarHBondContact O-N 3.29Å; P241-A311 HydrophobicContact CG-CB 3.73Å |
| 242 | Y | 93.3 | Very high | 93.7 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 25% | 0.247 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -44.9 | -41.1 | 166.1 | 174.1 | -100.9 | 0 | 0 | 0 | 112.6 | K206 F240 K244 T245 A246 | K206-Y242 HydrophobicContact CB-CD1 4.33Å; K206-Y242 HydrophobicContact CB-CD2 4.16Å; K206-Y242 HydrophobicContact CB-CE1 4Å; K206-Y242 HydrophobicContact CB-CE2 3.82Å; K206-Y242 HydrophobicContact CB-CG 4.41Å; K206-Y242 HydrophobicContact CD-CE1 4.41Å; K206-Y242 HydrophobicContact CG-CD1 4.28Å; K206-Y242 HydrophobicContact CG-CE1 3.76Å; K206-Y242 HydrophobicContact CG-CE2 4.45Å; F240-Y242 PolarHBondContact O-N 2.77Å; Y242-K244 PolarHBondContact O-N 3.11Å; Y242-T245 PolarHBondContact O-N 3.48Å; Y242-T245 PolarHBondContact O-OG1 2.87Å; Y242-A246 HydrophobicContact CD1-CB 4.11Å; Y242-A246 HydrophobicContact CE1-CB 3.71Å; Y242-A246 HydrophobicContact CE2-CB 4.42Å; Y242-A246 VanDerWaalsContact O-CB 3.3Å; Y242-A246 WeakPolarHBondContact O-CB 3.47Å; Y242-A246 PolarHBondContact O-N 2.99Å |
| 243 | F | 93.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73.8 | -4.5 | 179.7 | -59.8 | -66.9 | 0 | 0 | 0 | 114.5 | P207 Y211 L214 M236 K237 F240 P241 W250 | P207-F243 HydrophobicContact CG-CE2 3.89Å; P207-F243 HydrophobicContact CG-CZ 4.26Å; Y211-F243 HydrophobicContact CE1-CE1 4.02Å; Y211-F243 HydrophobicContact CE1-CZ 4.37Å; L214-F243 HydrophobicContact CD1-CE2 3.81Å; L214-F243 HydrophobicContact CD1-CZ 3.66Å; M236-F243 HydrophobicContact CB-CD2 3.95Å; M236-F243 HydrophobicContact CB-CE2 4.44Å; M236-F243 HydrophobicContact CB-CG 4.45Å; M236-F243 HydrophobicContact CE-CD1 4.04Å; M236-F243 HydrophobicContact CE-CD2 3.93Å; M236-F243 HydrophobicContact CE-CE1 3.76Å; M236-F243 HydrophobicContact CE-CE2 3.64Å; M236-F243 HydrophobicContact CE-CG 4.12Å; M236-F243 HydrophobicContact CE-CZ 3.56Å; K237-F243 HydrophobicContact CG-CB 4.12Å; F240-F243 HydrophobicContact CB-CD2 3.84Å; F240-F243 HydrophobicContact CB-CE2 3.91Å; F240-F243 WeakPolarHBondContact O-CD2 3.43Å; F240-F243 PolarHBondContact O-N 3.23Å; P241-F243 PolarHBondContact O-N 3.41Å; F243-W250 HydrophobicContact CB-CD2 4.44Å; F243-W250 HydrophobicContact CB-CH2 4.25Å; F243-W250 HydrophobicContact CB-CZ2 3.93Å; F243-W250 HydrophobicContact CD1-CB 4.29Å; F243-W250 AromaticContact CD1-CD2 3.78Å; F243-W250 HydrophobicContact CD1-CD2 3.78Å; F243-W250 HydrophobicContact CD1-CE3 4.03Å; F243-W250 AromaticContact CD1-CG 3.9Å; F243-W250 HydrophobicContact CD1-CG 3.9Å; F243-W250 HydrophobicContact CE1-CB 4.41Å; F243-W250 HydrophobicContact CE1-CG 4.49Å; F243-W250 HydrophobicContact CG-CD2 4.44Å; F243-W250 PolarHBondContact O-NE1 3.18Å |
| 244 | K | 92.5 | Very high | 93.7 | Very high | 136 Ų | 136 | 52.7 Ų | 52.7 | 59% | 0.591 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -78.2 | -27.8 | 169.8 | -56.7 | -178.7 | -169.9 | -177.4 | 0 | 112 | K237 P241 Y242 | K237-K244 HydrophobicContact CB-CG 4.03Å; K237-K244 HydrophobicContact CG-CG 4.34Å; K237-K244 WeakPolarHBondContact O-CE 3.47Å; P241-K244 HydrophobicContact CB-CD 4.17Å; P241-K244 VanDerWaalsContact O-CB 3.23Å; P241-K244 WeakPolarHBondContact O-CB 3.35Å; P241-K244 WeakPolarHBondContact O-CG 3.32Å; P241-K244 PolarHBondContact O-N 3.29Å; Y242-K244 PolarHBondContact O-N 3.11Å |
| 245 | T | 90.5 | Very high | 93.8 | Very high | 122 Ų | 122 | 55.9 Ų | 55.9 | 75% | 0.748 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -115.1 | -14 | -177.4 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | Y242 | Y242-T245 PolarHBondContact O-N 3.48Å; Y242-T245 PolarHBondContact O-OG1 2.87Å |
| 246 | A | 90.2 | Very high | 93.8 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -67.5 | 142 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y242 W250 | Y242-A246 HydrophobicContact CD1-CB 4.11Å; Y242-A246 HydrophobicContact CE1-CB 3.71Å; Y242-A246 HydrophobicContact CE2-CB 4.42Å; Y242-A246 VanDerWaalsContact O-CB 3.3Å; Y242-A246 WeakPolarHBondContact O-CB 3.47Å; Y242-A246 PolarHBondContact O-N 2.99Å; A246-W250 PolarHBondContact O-NE1 3.2Å |
| 247 | P | 90.4 | Very high | 93.9 | Very high | 110 Ų | 110 | 61.1 Ų | 61.1 | 71% | 0.714 | 32% | 0.319 | S | S | * | . | trans | -58.1 | 144.5 | 178.5 | -25.4 | 34.1 | 0 | 0 | 0 | 114.3 | G249 W250 | P247-G249 PolarHBondContact O-N 3.45Å; P247-W250 PolarHBondContact O-N 2.68Å | ||
| 248 | D | 89.2 | Confident | 93.9 | Very high | 103 Ų | 103 | 57.4 Ų | 57.4 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -12.5 | -165.8 | -112.8 | 31.8 | 0 | 0 | 0 | 116.7 | W250 K251 | D248-W250 PolarHBondContact O-N 3.11Å; D248-W250 VanDerWaalsContact O-N 3.17Å; D248-K251 WeakPolarHBondContact O-CB 3.3Å; D248-K251 PolarHBondContact O-N 3.4Å; D248-K251 VanDerWaalsContact O-N 3.1Å; D248-K251 WeakPolarHBondContact OD1-CE 3.48Å; D248-K251 IonicContact OD1-NZ 3.36Å; D248-K251 PolarHBondContact OD1-NZ 3.46Å; D248-K251 IonicContact OD2-NZ 3.72Å; D248-K251 PolarHBondContact OD2-NZ 3.34Å |
| 249 | G | 93.3 | Very high | 94 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 49% | 0.485 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54.3 | -28.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P247 K251 N252 S253 | P247-G249 PolarHBondContact O-N 3.45Å; G249-K251 PolarHBondContact O-N 2.89Å; G249-N252 WeakPolarHBondContact O-CA 3.34Å; G249-N252 VanDerWaalsContact O-CB 3.31Å; G249-N252 WeakPolarHBondContact O-CB 3.5Å; G249-N252 PolarHBondContact O-N 2.89Å; G249-S253 PolarHBondContact O-N 2.93Å; G249-S253 VanDerWaalsContact O-N 3.16Å; G249-S253 PolarHBondContact O-OG 2.74Å |
| 250 | W | 95 | Very high | 94.1 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.038 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -33.6 | 176.8 | 73.7 | -103.4 | 0 | 0 | 0 | 112.6 | Y211 Y233 M236 K237 F243 A246 P247 D248 N252 S253 V254 | Y211-W250 HydrophobicContact CE1-CB 4.29Å; Y233-W250 AromaticContact CD1-CH2 3.98Å; Y233-W250 HydrophobicContact CD1-CH2 3.98Å; Y233-W250 AromaticContact CD1-CZ3 3.7Å; Y233-W250 HydrophobicContact CD1-CZ3 3.7Å; Y233-W250 HydrophobicContact CE1-CZ3 4.44Å; Y233-W250 HydrophobicContact CG-CH2 4.26Å; Y233-W250 HydrophobicContact CG-CZ3 4.42Å; M236-W250 HydrophobicContact CB-CZ3 4.47Å; M236-W250 HydrophobicContact CE-CE3 3.84Å; M236-W250 HydrophobicContact CE-CZ3 3.82Å; M236-W250 HydrophobicContact SD-CZ3 4.04Å; K237-W250 HydrophobicContact CD-CZ2 4.49Å; K237-W250 HydrophobicContact CG-CH2 4.31Å; K237-W250 HydrophobicContact CG-CZ2 4.19Å; F243-W250 HydrophobicContact CB-CD2 4.44Å; F243-W250 HydrophobicContact CB-CH2 4.25Å; F243-W250 HydrophobicContact CB-CZ2 3.93Å; F243-W250 HydrophobicContact CD1-CB 4.29Å; F243-W250 AromaticContact CD1-CD2 3.78Å; F243-W250 HydrophobicContact CD1-CD2 3.78Å; F243-W250 HydrophobicContact CD1-CE3 4.03Å; F243-W250 AromaticContact CD1-CG 3.9Å; F243-W250 HydrophobicContact CD1-CG 3.9Å; F243-W250 HydrophobicContact CE1-CB 4.41Å; F243-W250 HydrophobicContact CE1-CG 4.49Å; F243-W250 HydrophobicContact CG-CD2 4.44Å; F243-W250 PolarHBondContact O-NE1 3.18Å; A246-W250 PolarHBondContact O-NE1 3.2Å; P247-W250 PolarHBondContact O-N 2.68Å; D248-W250 PolarHBondContact O-N 3.11Å; D248-W250 VanDerWaalsContact O-N 3.17Å; W250-N252 PolarHBondContact O-N 2.85Å; W250-S253 WeakPolarHBondContact O-CB 3.42Å; W250-S253 PolarHBondContact O-N 3.15Å; W250-V254 HydrophobicContact CE3-CG2 3.99Å; W250-V254 HydrophobicContact CZ3-CG2 4.25Å; W250-V254 WeakPolarHBondContact O-CG2 3.48Å; W250-V254 PolarHBondContact O-N 2.91Å |
| 251 | K | 95.3 | Very high | 94 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 27% | 0.265 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.9 | -32.4 | 175.1 | -60.5 | 171.8 | -177.8 | 165.9 | 0 | 111.3 | Y233 D248 G249 R255 | Y233-K251 HydrophobicContact CD1-CG 4.4Å; Y233-K251 HydrophobicContact CE1-CB 3.89Å; Y233-K251 HydrophobicContact CE1-CG 4.15Å; D248-K251 WeakPolarHBondContact O-CB 3.3Å; D248-K251 PolarHBondContact O-N 3.4Å; D248-K251 VanDerWaalsContact O-N 3.1Å; D248-K251 WeakPolarHBondContact OD1-CE 3.48Å; D248-K251 IonicContact OD1-NZ 3.36Å; D248-K251 PolarHBondContact OD1-NZ 3.46Å; D248-K251 IonicContact OD2-NZ 3.72Å; D248-K251 PolarHBondContact OD2-NZ 3.34Å; G249-K251 PolarHBondContact O-N 2.89Å; K251-R255 WeakPolarHBondContact O-CG 3.49Å; K251-R255 PolarHBondContact O-N 3.49Å; K251-R255 PolarHBondContact O-NH1 3.11Å |
| 252 | N | 96.2 | Very high | 94.1 | Very high | 95 Ų | 95 | 70.2 Ų | 70.2 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.9 | -42.1 | 175.3 | -158.3 | 46.4 | 0 | 0 | 0 | 111.6 | G249 W250 V254 R255 H256 | G249-N252 WeakPolarHBondContact O-CA 3.34Å; G249-N252 VanDerWaalsContact O-CB 3.31Å; G249-N252 WeakPolarHBondContact O-CB 3.5Å; G249-N252 PolarHBondContact O-N 2.89Å; W250-N252 PolarHBondContact O-N 2.85Å; N252-V254 VanDerWaalsContact C-N 3.27Å; N252-V254 PolarHBondContact O-N 3.48Å; N252-R255 PolarHBondContact O-N 2.83Å; N252-R255 PolarHBondContact OD1-NH2 3.06Å; N252-H256 WeakPolarHBondContact O-CB 3.32Å; N252-H256 PolarHBondContact O-N 3.48Å |
| 253 | S | 96.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 67.6 Ų | 67.6 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -38.3 | 174.2 | -50.6 | 0 | 0 | 0 | 0 | 112.6 | G249 W250 N257 | G249-S253 PolarHBondContact O-N 2.93Å; G249-S253 VanDerWaalsContact O-N 3.16Å; G249-S253 PolarHBondContact O-OG 2.74Å; W250-S253 WeakPolarHBondContact O-CB 3.42Å; W250-S253 PolarHBondContact O-N 3.15Å; S253-N257 WeakPolarHBondContact O-CB 3.46Å; S253-N257 PolarHBondContact O-N 3.28Å; S253-N257 PolarHBondContact O-ND2 3.3Å |
| 254 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64 | -50.8 | 174.5 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | Y211 I215 I232 Y233 M236 W250 N252 H256 N257 L258 | Y211-V254 HydrophobicContact CD1-CG2 3.88Å; Y211-V254 HydrophobicContact CE1-CG2 4.3Å; I215-V254 HydrophobicContact CD1-CG1 4.17Å; I215-V254 HydrophobicContact CG1-CG1 4.22Å; I232-V254 HydrophobicContact CG2-CG1 4.07Å; Y233-V254 HydrophobicContact CD1-CG1 4.31Å; Y233-V254 HydrophobicContact CE1-CB 4.19Å; Y233-V254 HydrophobicContact CE1-CG1 3.97Å; M236-V254 HydrophobicContact CE-CG2 3.75Å; M236-V254 HydrophobicContact SD-CG2 3.63Å; W250-V254 HydrophobicContact CE3-CG2 3.99Å; W250-V254 HydrophobicContact CZ3-CG2 4.25Å; W250-V254 WeakPolarHBondContact O-CG2 3.48Å; W250-V254 PolarHBondContact O-N 2.91Å; N252-V254 VanDerWaalsContact C-N 3.27Å; N252-V254 PolarHBondContact O-N 3.48Å; V254-H256 VanDerWaalsContact C-N 3.32Å; V254-H256 PolarHBondContact O-N 3.47Å; V254-N257 PolarHBondContact O-N 2.63Å; V254-L258 HydrophobicContact CG1-CD1 4.29Å; V254-L258 WeakPolarHBondContact O-CG 3.44Å; V254-L258 PolarHBondContact O-N 3.31Å |
| 255 | R | 96.1 | Very high | 94.4 | Very high | 113 Ų | 113 | 64.7 Ų | 64.7 | 43% | 0.426 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 176.6 | -69.6 | -174.9 | -57.9 | -97.5 | 12.3 | 112.1 | V229 Y233 K251 N252 L258 S259 | V229-R255 HydrophobicContact CG1-CG 4.39Å; Y233-R255 WeakPolarHBondContact OH-CG 3.29Å; Y233-R255 PolarHBondContact OH-NH1 3.39Å; Y233-R255 VanDerWaalsContact OH-NH1 3.11Å; K251-R255 WeakPolarHBondContact O-CG 3.49Å; K251-R255 PolarHBondContact O-N 3.49Å; K251-R255 PolarHBondContact O-NH1 3.11Å; N252-R255 PolarHBondContact O-N 2.83Å; N252-R255 PolarHBondContact OD1-NH2 3.06Å; R255-L258 PolarHBondContact O-N 2.92Å; R255-S259 PolarHBondContact O-N 3.36Å; R255-S259 VanDerWaalsContact O-N 3.14Å; R255-S259 PolarHBondContact O-OG 2.84Å |
| 256 | H | 96.7 | Very high | 94.6 | Very high | 102 Ų | 102 | 65.9 Ų | 65.9 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.2 | 175 | 70 | 0 | 0 | 0 | 112.2 | N252 V254 L258 S259 L260 | N252-H256 WeakPolarHBondContact O-CB 3.32Å; N252-H256 PolarHBondContact O-N 3.48Å; V254-H256 VanDerWaalsContact C-N 3.32Å; V254-H256 PolarHBondContact O-N 3.47Å; H256-L258 PolarHBondContact O-N 2.81Å; H256-S259 WeakPolarHBondContact CA-OG 3.22Å; H256-S259 PolarHBondContact O-N 3.17Å; H256-S259 PolarHBondContact O-OG 3.1Å; H256-L260 VanDerWaalsContact O-CB 3.24Å; H256-L260 WeakPolarHBondContact O-CB 3.14Å; H256-L260 PolarHBondContact O-N 3.2Å |
| 257 | N | 97 | Very high | 94.6 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 176 | -91.5 | -109.5 | 0 | 0 | 0 | 112.3 | S212 I215 S253 V254 S259 L260 N261 | S212-N257 PolarHBondContact N-OD1 3.5Å; S212-N257 PolarHBondContact OG-OD1 3.07Å; I215-N257 HydrophobicContact CD1-CB 3.61Å; S253-N257 WeakPolarHBondContact O-CB 3.46Å; S253-N257 PolarHBondContact O-N 3.28Å; S253-N257 PolarHBondContact O-ND2 3.3Å; V254-N257 PolarHBondContact O-N 2.63Å; N257-S259 VanDerWaalsContact C-N 3.35Å; N257-S259 PolarHBondContact O-N 3.23Å; N257-L260 PolarHBondContact O-N 3.16Å; N257-N261 WeakPolarHBondContact O-CB 3.47Å; N257-N261 PolarHBondContact O-N 3.33Å |
| 258 | L | 95.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 175.8 | -71.2 | 168.1 | 0 | 0 | 0 | 111.9 | I215 V229 I232 V254 R255 H256 F264 W281 | I215-L258 HydrophobicContact CD1-CD2 4.32Å; I215-L258 HydrophobicContact CD1-CG 4.16Å; I215-L258 HydrophobicContact CG2-CD2 3.61Å; V229-L258 HydrophobicContact CG1-CD1 4.1Å; V229-L258 HydrophobicContact CG2-CD1 4.08Å; I232-L258 HydrophobicContact CD1-CD1 4.12Å; I232-L258 HydrophobicContact CD1-CD2 4.14Å; V254-L258 HydrophobicContact CG1-CD1 4.29Å; V254-L258 WeakPolarHBondContact O-CG 3.44Å; V254-L258 PolarHBondContact O-N 3.31Å; R255-L258 PolarHBondContact O-N 2.92Å; H256-L258 PolarHBondContact O-N 2.81Å; L258-F264 HydrophobicContact CD2-CB 4.22Å; L258-F264 HydrophobicContact CD2-CD2 4.29Å; L258-F264 HydrophobicContact CD2-CG 4.11Å; L258-W281 HydrophobicContact CB-CD2 4.01Å; L258-W281 HydrophobicContact CB-CE3 4.01Å; L258-W281 HydrophobicContact CB-CH2 4.01Å; L258-W281 HydrophobicContact CB-CZ2 4.01Å; L258-W281 HydrophobicContact CB-CZ3 4.02Å; L258-W281 HydrophobicContact CD1-CD2 4.29Å; L258-W281 HydrophobicContact CD1-CG 4.21Å; L258-W281 HydrophobicContact CD2-CB 4.04Å; L258-W281 HydrophobicContact CD2-CD2 3.91Å; L258-W281 HydrophobicContact CD2-CE3 4.08Å; L258-W281 HydrophobicContact CD2-CG 3.89Å; L258-W281 HydrophobicContact CG-CD2 4.3Å; L258-W281 WeakPolarHBondContact O-CZ3 3.47Å |
| 259 | S | 94.7 | Very high | 93.6 | Very high | 88 Ų | 88 | 68 Ų | 68 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -76.6 | -31.1 | 178.6 | 51.2 | 0 | 0 | 0 | 0 | 115.2 | R255 H256 N257 | R255-S259 PolarHBondContact O-N 3.36Å; R255-S259 VanDerWaalsContact O-N 3.14Å; R255-S259 PolarHBondContact O-OG 2.84Å; H256-S259 WeakPolarHBondContact CA-OG 3.22Å; H256-S259 PolarHBondContact O-N 3.17Å; H256-S259 PolarHBondContact O-OG 3.1Å; N257-S259 VanDerWaalsContact C-N 3.35Å; N257-S259 PolarHBondContact O-N 3.23Å |
| 260 | L | 94.8 | Very high | 92.2 | Very high | 113 Ų | 113 | 74.7 Ų | 74.7 | 59% | 0.592 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -88.8 | -38.8 | -173.2 | 179.6 | 147.9 | 0 | 0 | 0 | 112.6 | H256 N257 K262 | H256-L260 VanDerWaalsContact O-CB 3.24Å; H256-L260 WeakPolarHBondContact O-CB 3.14Å; H256-L260 PolarHBondContact O-N 3.2Å; N257-L260 PolarHBondContact O-N 3.16Å; L260-K262 PolarHBondContact O-N 3.03Å |
| 261 | N | 94.2 | Very high | 90.7 | Very high | 36 Ų | 36 | 78.9 Ų | 78.9 | 19% | 0.193 | 39% | 0.389 | C | S | . | . | trans | -89.6 | 113 | -170.3 | -171.6 | -9.3 | 0 | 0 | 0 | 111.3 | S212 N257 C263 F264 | S212-N261 PolarHBondContact OG-ND2 2.82Å; N257-N261 WeakPolarHBondContact O-CB 3.47Å; N257-N261 PolarHBondContact O-N 3.33Å; N261-C263 PolarHBondContact O-N 2.95Å; N261-C263 WeakPolarHBondContact OD1-CB 3.35Å; N261-C263 PolarHBondContact OD1-N 3.23Å; N261-C263 PolarHBondContact OD1-SG 3.26Å; N261-F264 HydrophobicContact CB-CD2 3.94Å; N261-F264 HydrophobicContact CB-CE2 3.97Å; N261-F264 PolarHBondContact O-N 3.47Å | ||
| 262 | K | 94.3 | Very high | 88.8 | Confident | 184 Ų | 184 | 80.1 Ų | 80.1 | 80% | 0.8 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -1.8 | 175.3 | -59 | -175.2 | 180 | -176.8 | 0 | 115.2 | L260 F264 | L260-K262 PolarHBondContact O-N 3.03Å; K262-F264 VanDerWaalsContact C-N 3.3Å |
| 263 | C | 94.2 | Very high | 86.7 | Confident | 8 Ų | 8 | 79.5 Ų | 79.5 | 5% | 0.054 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -16 | 167.3 | -55.8 | 0 | 0 | 0 | 0 | 112.9 | N261 L283 N284 K287 M291 | N261-C263 PolarHBondContact O-N 2.95Å; N261-C263 WeakPolarHBondContact OD1-CB 3.35Å; N261-C263 PolarHBondContact OD1-N 3.23Å; N261-C263 PolarHBondContact OD1-SG 3.26Å; C263-L283 WeakPolarHBondContact O-CD1 3.09Å; C263-N284 WeakPolarHBondContact O-CB 3.46Å; C263-N284 PolarHBondContact O-N 3.48Å; C263-K287 HydrophobicContact CB-CB 4.05Å; C263-M291 HydrophobicContact CB-CE 3.54Å |
| 264 | F | 95.9 | Very high | 84.5 | Confident | 13 Ų | 13 | 81 Ų | 81 | 6% | 0.057 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.7 | 176.5 | -48.6 | -59 | 0 | 0 | 0 | 110.7 | S212 I215 A216 L219 L258 N261 K262 W281 A282 L283 M291 | S212-F264 WeakPolarHBondContact O-CZ 3.43Å; I215-F264 HydrophobicContact CB-CE1 4.11Å; I215-F264 HydrophobicContact CB-CE2 4.36Å; I215-F264 HydrophobicContact CB-CZ 3.82Å; I215-F264 HydrophobicContact CD1-CE2 4.29Å; I215-F264 HydrophobicContact CG2-CD1 3.82Å; I215-F264 HydrophobicContact CG2-CD2 4.4Å; I215-F264 HydrophobicContact CG2-CE1 3.44Å; I215-F264 VanDerWaalsContact CG2-CE1 3.44Å; I215-F264 HydrophobicContact CG2-CE2 4.06Å; I215-F264 HydrophobicContact CG2-CG 4.3Å; I215-F264 HydrophobicContact CG2-CZ 3.58Å; A216-F264 HydrophobicContact CB-CE1 4.24Å; L219-F264 HydrophobicContact CD1-CD1 3.7Å; L219-F264 HydrophobicContact CD1-CE1 4.03Å; L258-F264 HydrophobicContact CD2-CB 4.22Å; L258-F264 HydrophobicContact CD2-CD2 4.29Å; L258-F264 HydrophobicContact CD2-CG 4.11Å; N261-F264 HydrophobicContact CB-CD2 3.94Å; N261-F264 HydrophobicContact CB-CE2 3.97Å; N261-F264 PolarHBondContact O-N 3.47Å; K262-F264 VanDerWaalsContact C-N 3.3Å; F264-W281 HydrophobicContact CB-CE3 4.2Å; F264-A282 WeakPolarHBondContact CA-O 3.39Å; F264-L283 HydrophobicContact CD1-CD1 3.91Å; F264-L283 HydrophobicContact CE1-CD1 3.63Å; F264-M291 HydrophobicContact CZ-CE 4.1Å |
| 265 | E | 94.9 | Very high | 82.4 | Confident | 70 Ų | 70 | 87.5 Ų | 87.5 | 33% | 0.327 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140 | 178 | 59 | -169.3 | -145.2 | 0 | 0 | 110.7 | V267 W281 A282 N284 | E265-V267 HydrophobicContact CG-CG2 4.1Å; E265-W281 CarbonylContact O-C 3.6Å; E265-W281 WeakPolarHBondContact O-CA 3.34Å; E265-A282 HydrophobicContact CG-CB 4.1Å; E265-A282 PolarHBondContact N-O 2.88Å; E265-A282 PolarHBondContact O-N 3.46Å; E265-N284 WeakPolarHBondContact OE2-CA 3.44Å; E265-N284 WeakPolarHBondContact OE2-CB 3.38Å; E265-N284 PolarHBondContact OE2-ND2 2.92Å |
| 266 | K | 94.4 | Very high | 80.6 | Confident | 147 Ų | 147 | 93.6 Ų | 93.6 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 117.7 | 175 | -178.6 | -166.9 | 175.7 | -164.8 | 0 | 108 | C279 W281 | K266-C279 HydrophobicContact CD-CB 4.24Å; K266-C279 HydrophobicContact CG-CB 3.83Å; K266-W281 HydrophobicContact CB-CE3 4.31Å; K266-W281 HydrophobicContact CB-CH2 4.19Å; K266-W281 HydrophobicContact CB-CZ2 4.48Å; K266-W281 HydrophobicContact CB-CZ3 4.09Å |
| 267 | V | 90.8 | Very high | 79.2 | Confident | 33 Ų | 33 | 96.5 Ų | 96.5 | 20% | 0.2 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.5 | -177.8 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | E265 L280 A282 | E265-V267 HydrophobicContact CG-CG2 4.1Å; V267-L280 PolarHBondContact N-O 3.04Å; V267-L280 PolarHBondContact O-N 2.95Å; V267-A282 HydrophobicContact CG2-CB 3.53Å |
| 268 | E | 82.9 | Confident | 78.1 | Confident | 173 Ų | 173 | 97.8 Ų | 97.8 | 81% | 0.808 | 53% | 0.532 | S | S | * | . | trans | -71.2 | 145.7 | 177 | -60.1 | -166.6 | 149.3 | 0 | 0 | 111.6 | K270 | E268-K270 PolarHBondContact O-N 3.39Š| ||
| 269 | N | 76.1 | Confident | 77.8 | Confident | 64 Ų | 64 | 100 Ų | 100 | 34% | 0.342 | 55% | 0.547 | S | S | . | . | trans | -74.9 | 99.4 | 179.4 | -178.6 | 12.9 | 0 | 0 | 0 | 110.2 | T271 L280 | N269-T271 VanDerWaalsContact CG-O 3.27Å; N269-T271 PolarHBondContact ND2-O 2.89Å; N269-T271 CarbonylContact O-C 3.51Å; N269-T271 PolarHBondContact O-N 3.34Å; N269-T271 WeakPolarHBondContact OD1-CB 3.45Å; N269-T271 PolarHBondContact OD1-N 3.2Å; N269-T271 PolarHBondContact OD1-O 3.14Å; N269-L280 HydrophobicContact CB-CD1 4.49Å | ||
| 270 | K | 64.3 | Low | 77.7 | Confident | 186 Ų | 186 | 97.4 Ų | 97.4 | 81% | 0.809 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -50.6 | -26 | 175.6 | -50.9 | 177.6 | -172.2 | 177 | 0 | 113.4 | E268 G272 | E268-K270 PolarHBondContact O-N 3.39Å; K270-G272 PolarHBondContact O-N 3.25Å |
| 271 | T | 62.1 | Low | 77.8 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 60% | 0.601 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -85.9 | 94.4 | 169.3 | -53.1 | 0 | 0 | 0 | 0 | 108.3 | N269 S273 | N269-T271 VanDerWaalsContact CG-O 3.27Å; N269-T271 PolarHBondContact ND2-O 2.89Å; N269-T271 CarbonylContact O-C 3.51Å; N269-T271 PolarHBondContact O-N 3.34Å; N269-T271 WeakPolarHBondContact OD1-CB 3.45Å; N269-T271 PolarHBondContact OD1-N 3.2Å; N269-T271 PolarHBondContact OD1-O 3.14Å; T271-S273 PolarHBondContact O-N 3.32Å |
| 272 | G | 55.5 | Low | 77.8 | Confident | 87 Ų | 87 | 92.5 Ų | 92.5 | 90% | 0.897 | 50% | 0.5 | S | S | * | . | trans | -68.2 | 47.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K270 | K270-G272 PolarHBondContact O-N 3.25Š| ||
| 273 | S | 52.1 | Low | 77.9 | Confident | 82 Ų | 82 | 84.7 Ų | 84.7 | 57% | 0.573 | 47% | 0.466 | S | S | * | . | trans | -120.8 | 114.1 | -179.8 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | T271 | T271-S273 PolarHBondContact O-N 3.32Š| ||
| 274 | S | 50.1 | Low | 77.9 | Confident | 72 Ų | 72 | 86.1 Ų | 86.1 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | trans | 65.1 | 110.8 | 174.6 | 74.4 | 0 | 0 | 0 | 0 | 117.4 | R276 K277 | S274-R276 PolarHBondContact O-N 2.88Å; S274-K277 PolarHBondContact O-N 3.22Å | ||
| 275 | S | 54.1 | Low | 77.7 | Confident | 136 Ų | 136 | 89.5 Ų | 89.5 | 95% | 0.951 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 14.8 | 170.1 | -40.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 276 | R | 58.8 | Low | 77.6 | Confident | 242 Ų | 242 | 89.5 Ų | 89.5 | 91% | 0.913 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -11.5 | 176.6 | -69.3 | -162.9 | -71.5 | 176.6 | -4.6 | 113.6 | S274 | S274-R276 PolarHBondContact O-N 2.88Š|
| 277 | K | 66.6 | Low | 77.4 | Confident | 163 Ų | 163 | 86.5 Ų | 86.5 | 71% | 0.709 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -87.4 | 124.4 | 166.6 | -78.7 | -178.6 | 175.3 | 176.6 | 0 | 108.9 | S274 | S274-K277 PolarHBondContact O-N 3.22Š|
| 278 | G | 74.2 | Confident | 77.5 | Confident | 55 Ų | 55 | 87.4 Ų | 87.4 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 161.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 279 | C | 88.7 | Confident | 77.9 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 34% | 0.338 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 143.5 | -177.5 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | K266 | K266-C279 HydrophobicContact CD-CB 4.24Å; K266-C279 HydrophobicContact CG-CB 3.83Å |
| 280 | L | 93.4 | Very high | 78.7 | Confident | 33 Ų | 33 | 88.4 Ų | 88.4 | 17% | 0.173 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 150.4 | 170.9 | -56 | 177.9 | 0 | 0 | 0 | 109.7 | P228 V267 N269 | P228-L280 HydrophobicContact CB-CD2 4.08Å; P228-L280 HydrophobicContact CG-CD2 4.32Å; V267-L280 PolarHBondContact N-O 3.04Å; V267-L280 PolarHBondContact O-N 2.95Å; N269-L280 HydrophobicContact CB-CD1 4.49Å |
| 281 | W | 95.6 | Very high | 80.1 | Confident | 36 Ų | 36 | 80 Ų | 80 | 14% | 0.136 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141 | 169.9 | -68.6 | 87.9 | 0 | 0 | 0 | 108.9 | L219 S226 L227 L258 F264 E265 K266 | L219-W281 WeakPolarHBondContact CD2-O 3.16Å; S226-W281 CarbonylContact C-O 3.52Å; S226-W281 WeakPolarHBondContact CA-O 3.45Å; S226-W281 VanDerWaalsContact CB-O 3.26Å; S226-W281 WeakPolarHBondContact CB-O 3.43Å; L227-W281 PolarHBondContact N-O 3.33Å; L227-W281 PolarHBondContact O-N 3.02Å; L258-W281 HydrophobicContact CB-CD2 4.01Å; L258-W281 HydrophobicContact CB-CE3 4.01Å; L258-W281 HydrophobicContact CB-CH2 4.01Å; L258-W281 HydrophobicContact CB-CZ2 4.01Å; L258-W281 HydrophobicContact CB-CZ3 4.02Å; L258-W281 HydrophobicContact CD1-CD2 4.29Å; L258-W281 HydrophobicContact CD1-CG 4.21Å; L258-W281 HydrophobicContact CD2-CB 4.04Å; L258-W281 HydrophobicContact CD2-CD2 3.91Å; L258-W281 HydrophobicContact CD2-CE3 4.08Å; L258-W281 HydrophobicContact CD2-CG 3.89Å; L258-W281 HydrophobicContact CG-CD2 4.3Å; L258-W281 WeakPolarHBondContact O-CZ3 3.47Å; F264-W281 HydrophobicContact CB-CE3 4.2Å; E265-W281 CarbonylContact O-C 3.6Å; E265-W281 WeakPolarHBondContact O-CA 3.34Å; K266-W281 HydrophobicContact CB-CE3 4.31Å; K266-W281 HydrophobicContact CB-CH2 4.19Å; K266-W281 HydrophobicContact CB-CZ2 4.48Å; K266-W281 HydrophobicContact CB-CZ3 4.09Å |
| 282 | A | 95.4 | Very high | 81.5 | Confident | 11 Ų | 11 | 77.2 Ų | 77.2 | 9% | 0.091 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 163.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F264 E265 V267 | F264-A282 WeakPolarHBondContact CA-O 3.39Å; E265-A282 HydrophobicContact CG-CB 4.1Å; E265-A282 PolarHBondContact N-O 2.88Å; E265-A282 PolarHBondContact O-N 3.46Å; V267-A282 HydrophobicContact CG2-CB 3.53Å |
| 283 | L | 95.3 | Very high | 83.3 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 10% | 0.099 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.9 | 171.7 | -170 | 70.7 | 0 | 0 | 0 | 108.3 | A216 L219 K220 C263 F264 I288 M291 | A216-L283 HydrophobicContact CB-CD1 4.01Å; L219-L283 HydrophobicContact CB-CB 4.36Å; L219-L283 HydrophobicContact CD1-CB 4.34Å; K220-L283 HydrophobicContact CG-CD2 4.17Å; C263-L283 WeakPolarHBondContact O-CD1 3.09Å; F264-L283 HydrophobicContact CD1-CD1 3.91Å; F264-L283 HydrophobicContact CE1-CD1 3.63Å; L283-I288 HydrophobicContact CD2-CB 4.21Å; L283-I288 HydrophobicContact CD2-CG1 3.86Å; L283-I288 HydrophobicContact CD2-CG2 4.06Å; L283-I288 HydrophobicContact CG-CG1 4.07Å; L283-M291 HydrophobicContact CD1-CG 4.3Å |
| 284 | N | 94.3 | Very high | 85.2 | Confident | 39 Ų | 39 | 77.6 Ų | 77.6 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | trans | -59.9 | 126.9 | -176.7 | 178.3 | -76.7 | 0 | 0 | 0 | 110.4 | C263 E265 A286 K287 I288 | C263-N284 WeakPolarHBondContact O-CB 3.46Å; C263-N284 PolarHBondContact O-N 3.48Å; E265-N284 WeakPolarHBondContact OE2-CA 3.44Å; E265-N284 WeakPolarHBondContact OE2-CB 3.38Å; E265-N284 PolarHBondContact OE2-ND2 2.92Å; N284-A286 PolarHBondContact O-N 3.27Å; N284-A286 VanDerWaalsContact O-N 3.16Å; N284-A286 WeakPolarHBondContact OD1-CB 3.46Å; N284-A286 PolarHBondContact OD1-N 2.98Å; N284-K287 HydrophobicContact CB-CB 4.33Å; N284-K287 HydrophobicContact CB-CG 4.36Å; N284-K287 PolarHBondContact O-N 3.47Å; N284-I288 WeakPolarHBondContact O-CG1 3.12Å; N284-I288 PolarHBondContact O-N 3.47Å | ||
| 285 | P | 91.6 | Very high | 87.2 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -60.7 | -30.7 | -172.1 | 22.2 | -33.2 | 0 | 0 | 0 | 113.5 | K287 | P285-K287 PolarHBondContact O-N 3.12Š|
| 286 | A | 93.1 | Very high | 89.1 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -84 | 10.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N284 | N284-A286 PolarHBondContact O-N 3.27Å; N284-A286 VanDerWaalsContact O-N 3.16Å; N284-A286 WeakPolarHBondContact OD1-CB 3.46Å; N284-A286 PolarHBondContact OD1-N 2.98Å |
| 287 | K | 91.5 | Very high | 90.7 | Very high | 84 Ų | 84 | 63.6 Ų | 63.6 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -134.3 | 0.8 | 180 | -60.3 | -69.8 | 160.2 | -100.9 | 0 | 113.8 | C263 N284 P285 M291 | C263-K287 HydrophobicContact CB-CB 4.05Å; N284-K287 HydrophobicContact CB-CB 4.33Å; N284-K287 HydrophobicContact CB-CG 4.36Å; N284-K287 PolarHBondContact O-N 3.47Å; P285-K287 PolarHBondContact O-N 3.12Å; K287-M291 PolarHBondContact O-N 3.36Å |
| 288 | I | 91.4 | Very high | 91.8 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58 | -52.4 | 178.8 | -56.7 | -174.3 | 0 | 0 | 0 | 110.5 | L283 N284 K290 M291 E292 | L283-I288 HydrophobicContact CD2-CB 4.21Å; L283-I288 HydrophobicContact CD2-CG1 3.86Å; L283-I288 HydrophobicContact CD2-CG2 4.06Å; L283-I288 HydrophobicContact CG-CG1 4.07Å; N284-I288 WeakPolarHBondContact O-CG1 3.12Å; N284-I288 PolarHBondContact O-N 3.47Å; I288-K290 PolarHBondContact O-N 3.4Å; I288-M291 PolarHBondContact O-N 2.97Å; I288-E292 PolarHBondContact O-N 3.18Å |
| 289 | D | 91.9 | Very high | 92.6 | Very high | 125 Ų | 125 | 57.7 Ų | 57.7 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | -174 | -50.7 | -55.7 | 0 | 0 | 0 | 112.5 | M291 E292 E293 | D289-M291 VanDerWaalsContact C-N 3.31Å; D289-M291 PolarHBondContact O-N 3.25Å; D289-E292 PolarHBondContact O-N 3.45Å; D289-E293 WeakPolarHBondContact O-CB 3.3Å; D289-E293 PolarHBondContact O-N 3.18Å |
| 290 | K | 92.3 | Very high | 92.7 | Very high | 132 Ų | 132 | 64 Ų | 64 | 57% | 0.574 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 173.1 | 177.2 | 178.1 | 178 | 178.5 | 0 | 112 | I288 E293 E294 | I288-K290 PolarHBondContact O-N 3.4Å; K290-E293 PolarHBondContact O-N 3.39Å; K290-E294 PolarHBondContact O-N 2.86Å; K290-E294 VanDerWaalsContact O-N 3.11Å |
| 291 | M | 93.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 69.9 Ų | 69.9 | 5% | 0.054 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -75.6 | -34.1 | -177.5 | -169 | 60.8 | 70.8 | 0 | 0 | 111.6 | A216 C263 F264 L283 K287 I288 D289 M295 | A216-M291 HydrophobicContact CB-CB 4.46Å; A216-M291 HydrophobicContact CB-CG 3.16Å; A216-M291 HydrophobicContact CB-SD 3.91Å; C263-M291 HydrophobicContact CB-CE 3.54Å; F264-M291 HydrophobicContact CZ-CE 4.1Å; L283-M291 HydrophobicContact CD1-CG 4.3Å; K287-M291 PolarHBondContact O-N 3.36Å; I288-M291 PolarHBondContact O-N 2.97Å; D289-M291 VanDerWaalsContact C-N 3.31Å; D289-M291 PolarHBondContact O-N 3.25Å; M291-M295 WeakPolarHBondContact O-CB 3.15Å; M291-M295 PolarHBondContact O-N 2.83Å; M291-M295 VanDerWaalsContact O-N 3.11Å |
| 292 | E | 91.9 | Very high | 92.3 | Very high | 39 Ų | 39 | 70.7 Ų | 70.7 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 168.5 | -176.5 | 57.3 | -146.9 | 0 | 0 | 111 | K220 I288 D289 E294 M295 Q296 I320 | K220-E292 WeakPolarHBondContact CE-OE2 3.2Å; K220-E292 IonicContact NZ-OE2 2.73Å; K220-E292 PolarHBondContact NZ-OE2 3.15Å; I288-E292 PolarHBondContact O-N 3.18Å; D289-E292 PolarHBondContact O-N 3.45Å; E292-E294 PolarHBondContact O-N 3.49Å; E292-M295 WeakPolarHBondContact O-CB 3.43Å; E292-M295 PolarHBondContact O-N 3.1Å; E292-M295 VanDerWaalsContact O-N 3.1Å; E292-M295 WeakPolarHBondContact OE2-CE 3.44Å; E292-Q296 HydrophobicContact CG-CG 4.28Å; E292-Q296 WeakPolarHBondContact O-CB 3.34Å; E292-Q296 WeakPolarHBondContact O-CG 3.46Å; E292-Q296 PolarHBondContact O-N 3.07Å; E292-Q296 VanDerWaalsContact OE1-CG 3.31Å; E292-Q296 WeakPolarHBondContact OE1-CG 3.3Å; E292-Q296 PolarHBondContact OE1-NE2 3.28Å; E292-I320 VanDerWaalsContact OE1-CG2 3.31Å; E292-I320 WeakPolarHBondContact OE1-CG2 3.34Å |
| 293 | E | 93.1 | Very high | 92.1 | Very high | 119 Ų | 119 | 72.6 Ų | 72.6 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.2 | -46.9 | 177.2 | -171 | -172 | -178.6 | 0 | 0 | 112.2 | D289 K290 M295 Q296 K297 | D289-E293 WeakPolarHBondContact O-CB 3.3Å; D289-E293 PolarHBondContact O-N 3.18Å; K290-E293 PolarHBondContact O-N 3.39Å; E293-M295 VanDerWaalsContact C-N 3.3Å; E293-M295 PolarHBondContact O-N 3.28Å; E293-Q296 PolarHBondContact O-N 3.01Å; E293-K297 WeakPolarHBondContact O-CB 3.48Å; E293-K297 PolarHBondContact O-N 3.4Å |
| 294 | E | 92.9 | Very high | 91.8 | Very high | 57 Ų | 57 | 75.8 Ų | 75.8 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 174.7 | -79.9 | -67.5 | 124.8 | 0 | 0 | 112 | K290 E292 K297 W298 | K290-E294 PolarHBondContact O-N 2.86Å; K290-E294 VanDerWaalsContact O-N 3.11Å; E292-E294 PolarHBondContact O-N 3.49Å; E294-K297 PolarHBondContact O-N 3.41Å; E294-K297 WeakPolarHBondContact OE1-CD 3.31Å; E294-K297 IonicContact OE1-NZ 2.74Å; E294-K297 PolarHBondContact OE1-NZ 3.31Å; E294-K297 IonicContact OE2-NZ 3.83Å; E294-W298 VanDerWaalsContact O-CD1 3.26Å; E294-W298 PolarHBondContact O-N 2.94Å; E294-W298 VanDerWaalsContact O-N 3.11Å |
| 295 | M | 92.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 177.8 | -169.9 | 163.7 | 57.4 | 0 | 0 | 112.3 | Y209 M217 K220 M291 E292 E293 K299 I320 | Y209-M295 HydrophobicContact CE1-CB 4.37Å; Y209-M295 HydrophobicContact CE1-CG 3.75Å; Y209-M295 WeakPolarHBondContact CE1-O 3.45Å; Y209-M295 PolarHBondContact OH-O 3.39Å; Y209-M295 VanDerWaalsContact OH-O 3.11Å; M217-M295 HydrophobicContact CB-SD 4.04Å; M217-M295 HydrophobicContact CE-CG 4.31Å; M217-M295 HydrophobicContact CE-SD 3.54Å; M217-M295 VanDerWaalsContact CE-SD 3.54Å; M217-M295 HydrophobicContact CG-SD 4.2Å; K220-M295 HydrophobicContact CD-CE 4.05Å; M291-M295 WeakPolarHBondContact O-CB 3.15Å; M291-M295 PolarHBondContact O-N 2.83Å; M291-M295 VanDerWaalsContact O-N 3.11Å; E292-M295 WeakPolarHBondContact O-CB 3.43Å; E292-M295 PolarHBondContact O-N 3.1Å; E292-M295 VanDerWaalsContact O-N 3.1Å; E292-M295 WeakPolarHBondContact OE2-CE 3.44Å; E293-M295 VanDerWaalsContact C-N 3.3Å; E293-M295 PolarHBondContact O-N 3.28Å; M295-K299 WeakPolarHBondContact O-CB 3.37Å; M295-K299 PolarHBondContact O-N 2.92Å; M295-I320 HydrophobicContact CE-CB 4.35Å; M295-I320 HydrophobicContact CE-CG1 4Å; M295-I320 HydrophobicContact CE-CG2 4.34Å; M295-I320 HydrophobicContact CG-CD1 4.02Å; M295-I320 HydrophobicContact CG-CG1 3.95Å; M295-I320 HydrophobicContact SD-CG1 3.9Å |
| 296 | Q | 92 | Very high | 91.6 | Very high | 55 Ų | 55 | 70.3 Ų | 70.3 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.7 | -30.5 | 175 | -65.5 | -79 | 7.9 | 0 | 0 | 112.9 | E292 E293 K299 R300 I320 | E292-Q296 HydrophobicContact CG-CG 4.28Å; E292-Q296 WeakPolarHBondContact O-CB 3.34Å; E292-Q296 WeakPolarHBondContact O-CG 3.46Å; E292-Q296 PolarHBondContact O-N 3.07Å; E292-Q296 VanDerWaalsContact OE1-CG 3.31Å; E292-Q296 WeakPolarHBondContact OE1-CG 3.3Å; E292-Q296 PolarHBondContact OE1-NE2 3.28Å; E293-Q296 PolarHBondContact O-N 3.01Å; Q296-K299 PolarHBondContact O-N 3.04Å; Q296-R300 WeakPolarHBondContact O-CB 3.38Å; Q296-R300 WeakPolarHBondContact O-CG 3.47Å; Q296-R300 PolarHBondContact O-N 3.44Å; Q296-R300 PolarHBondContact O-NE 2.88Å; Q296-I320 HydrophobicContact CG-CG2 4.3Å |
| 297 | K | 92.9 | Very high | 91.4 | Very high | 100 Ų | 100 | 71.4 Ų | 71.4 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 174.1 | 168.8 | -177.6 | 168.3 | -173.3 | 0 | 110.9 | E293 E294 R300 K301 | E293-K297 WeakPolarHBondContact O-CB 3.48Å; E293-K297 PolarHBondContact O-N 3.4Å; E294-K297 PolarHBondContact O-N 3.41Å; E294-K297 WeakPolarHBondContact OE1-CD 3.31Å; E294-K297 IonicContact OE1-NZ 2.74Å; E294-K297 PolarHBondContact OE1-NZ 3.31Å; E294-K297 IonicContact OE2-NZ 3.83Å; K297-R300 PolarHBondContact O-N 3.22Å; K297-K301 WeakPolarHBondContact O-CB 3.45Å; K297-K301 PolarHBondContact O-N 3.12Å |
| 298 | W | 90.1 | Very high | 91.4 | Very high | 62 Ų | 62 | 74.6 Ų | 74.6 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 171.7 | -77.5 | 111.1 | 0 | 0 | 0 | 112.6 | I208 Y209 E294 R300 K301 D302 I306 | I208-W298 HydrophobicContact CG2-CD2 4.1Å; I208-W298 HydrophobicContact CG2-CE3 3.31Å; I208-W298 HydrophobicContact CG2-CH2 3.9Å; I208-W298 HydrophobicContact CG2-CZ3 3.18Å; Y209-W298 HydrophobicContact CD1-CB 3.91Å; Y209-W298 HydrophobicContact CD1-CG 4.25Å; Y209-W298 HydrophobicContact CE1-CB 3.53Å; Y209-W298 HydrophobicContact CE1-CG 4.32Å; E294-W298 VanDerWaalsContact O-CD1 3.26Å; E294-W298 PolarHBondContact O-N 2.94Å; E294-W298 VanDerWaalsContact O-N 3.11Å; W298-R300 VanDerWaalsContact C-N 3.3Å; W298-R300 PolarHBondContact O-N 2.97Å; W298-K301 HydrophobicContact CE3-CB 4.46Å; W298-K301 HydrophobicContact CE3-CD 3.96Å; W298-K301 HydrophobicContact CZ3-CD 3.74Å; W298-K301 PolarHBondContact O-N 3.42Å; W298-D302 PolarHBondContact O-N 3.46Å; W298-I306 HydrophobicContact CB-CD1 4.35Å; W298-I306 WeakPolarHBondContact O-CD1 3.17Å |
| 299 | K | 90.1 | Very high | 91.4 | Very high | 32 Ų | 32 | 72.2 Ų | 72.2 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.9 | -44 | 172.9 | -169.1 | -170.1 | -174 | 179.8 | 0 | 112 | M295 Q296 L303 D317 I320 | M295-K299 WeakPolarHBondContact O-CB 3.37Å; M295-K299 PolarHBondContact O-N 2.92Å; Q296-K299 PolarHBondContact O-N 3.04Å; K299-L303 HydrophobicContact CG-CD1 3.95Å; K299-L303 WeakPolarHBondContact O-CB 3.47Å; K299-L303 PolarHBondContact O-N 3.26Å; K299-D317 WeakPolarHBondContact CE-OD1 3.38Å; K299-D317 IonicContact NZ-OD1 3.39Å; K299-D317 PolarHBondContact NZ-OD1 3.43Å; K299-I320 HydrophobicContact CB-CD1 4.32Å; K299-I320 HydrophobicContact CD-CD1 3.86Å; K299-I320 HydrophobicContact CD-CG2 4.38Å; K299-I320 HydrophobicContact CG-CD1 4.21Å |
| 300 | R | 91.1 | Very high | 91.5 | Very high | 184 Ų | 184 | 66.4 Ų | 66.4 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.1 | -30.5 | 175.4 | -74.6 | 178 | -69.5 | 152.8 | -6.5 | 113.6 | Q296 K297 W298 | Q296-R300 WeakPolarHBondContact O-CB 3.38Å; Q296-R300 WeakPolarHBondContact O-CG 3.47Å; Q296-R300 PolarHBondContact O-N 3.44Å; Q296-R300 PolarHBondContact O-NE 2.88Å; K297-R300 PolarHBondContact O-N 3.22Å; W298-R300 VanDerWaalsContact C-N 3.3Å; W298-R300 PolarHBondContact O-N 2.97Å |
| 301 | K | 91.7 | Very high | 91.3 | Very high | 155 Ų | 155 | 61.8 Ų | 61.8 | 67% | 0.674 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -76.2 | -44.4 | -177.1 | -176.8 | 172.8 | 173.5 | -178.5 | 0 | 113.2 | K297 W298 | K297-K301 WeakPolarHBondContact O-CB 3.45Å; K297-K301 PolarHBondContact O-N 3.12Å; W298-K301 HydrophobicContact CE3-CB 4.46Å; W298-K301 HydrophobicContact CE3-CD 3.96Å; W298-K301 HydrophobicContact CZ3-CD 3.74Å; W298-K301 PolarHBondContact O-N 3.42Å |
| 302 | D | 89.9 | Confident | 91.1 | Very high | 53 Ų | 53 | 65 Ų | 65 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | trans | -154.4 | 68.6 | -179.4 | -164.1 | -16.4 | 0 | 0 | 0 | 112.5 | I208 W298 P304 A305 I306 | I208-D302 HydrophobicContact CD1-CB 4.34Å; W298-D302 PolarHBondContact O-N 3.46Å; D302-P304 VanDerWaalsContact C-CD 3.46Å; D302-P304 VanDerWaalsContact C-N 3.33Å; D302-P304 WeakPolarHBondContact OD1-CD 3.44Å; D302-A305 HydrophobicContact CB-CB 4.23Å; D302-A305 PolarHBondContact O-N 2.98Å; D302-A305 WeakPolarHBondContact OD1-CB 3.24Å; D302-A305 PolarHBondContact OD1-N 3.23Å; D302-A305 WeakPolarHBondContact OD2-CB 3.34Å; D302-I306 WeakPolarHBondContact O-CD1 3.49Å; D302-I306 VanDerWaalsContact O-CG1 3.32Å; D302-I306 WeakPolarHBondContact O-CG1 3.2Å; D302-I306 PolarHBondContact O-N 3.48Å | ||
| 303 | L | 89.9 | Confident | 90.8 | Very high | 51 Ų | 51 | 65.2 Ų | 65.2 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.2 | -42.3 | 171.9 | -174.9 | 64.4 | 0 | 0 | 0 | 113 | K299 I306 R307 L316 | K299-L303 HydrophobicContact CG-CD1 3.95Å; K299-L303 WeakPolarHBondContact O-CB 3.47Å; K299-L303 PolarHBondContact O-N 3.26Å; L303-I306 PolarHBondContact O-N 2.86Å; L303-R307 HydrophobicContact CD1-CG 4.38Å; L303-R307 WeakPolarHBondContact O-CG 3.49Å; L303-R307 PolarHBondContact O-N 3.04Å; L303-L316 HydrophobicContact CD1-CD2 3.52Å |
| 304 | P | 89.5 | Confident | 90.4 | Very high | 86 Ų | 86 | 65.5 Ų | 65.5 | 56% | 0.558 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 178.8 | -24.8 | 36 | 0 | 0 | 0 | 114.3 | D302 R308 | D302-P304 VanDerWaalsContact C-CD 3.46Å; D302-P304 VanDerWaalsContact C-N 3.33Å; D302-P304 WeakPolarHBondContact OD1-CD 3.44Å; P304-R308 WeakPolarHBondContact O-CG 3.31Å; P304-R308 PolarHBondContact O-N 3.46Å; P304-R308 PolarHBondContact O-NE 3.48Å |
| 305 | A | 91.1 | Very high | 90 | Very high | 7 Ų | 7 | 66 Ų | 66 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I208 D302 R308 S309 | I208-A305 HydrophobicContact CD1-CB 3.42Å; I208-A305 VanDerWaalsContact CD1-CB 3.42Å; I208-A305 HydrophobicContact CG1-CB 4.25Å; D302-A305 HydrophobicContact CB-CB 4.23Å; D302-A305 PolarHBondContact O-N 2.98Å; D302-A305 WeakPolarHBondContact OD1-CB 3.24Å; D302-A305 PolarHBondContact OD1-N 3.23Å; D302-A305 WeakPolarHBondContact OD2-CB 3.34Å; A305-R308 VanDerWaalsContact CB-NH2 3.28Å; A305-R308 PolarHBondContact O-N 3.34Å; A305-S309 PolarHBondContact O-N 3.08Å |
| 306 | I | 90.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -51.1 | 173.9 | -65.5 | 162.7 | 0 | 0 | 0 | 109.4 | Y209 W298 D302 L303 R308 S309 M310 L316 | Y209-I306 HydrophobicContact CD2-CG1 4.5Å; Y209-I306 HydrophobicContact CD2-CG2 4.14Å; Y209-I306 HydrophobicContact CE1-CD1 4.39Å; Y209-I306 HydrophobicContact CE2-CB 4.45Å; Y209-I306 HydrophobicContact CE2-CD1 4Å; Y209-I306 HydrophobicContact CE2-CG1 4.1Å; Y209-I306 HydrophobicContact CE2-CG2 3.46Å; Y209-I306 VanDerWaalsContact CE2-CG2 3.46Å; W298-I306 HydrophobicContact CB-CD1 4.35Å; W298-I306 WeakPolarHBondContact O-CD1 3.17Å; D302-I306 WeakPolarHBondContact O-CD1 3.49Å; D302-I306 VanDerWaalsContact O-CG1 3.32Å; D302-I306 WeakPolarHBondContact O-CG1 3.2Å; D302-I306 PolarHBondContact O-N 3.48Å; L303-I306 PolarHBondContact O-N 2.86Å; I306-R308 VanDerWaalsContact C-N 3.3Å; I306-R308 PolarHBondContact O-N 2.99Å; I306-S309 PolarHBondContact O-N 3.47Å; I306-S309 PolarHBondContact O-OG 2.91Å; I306-M310 HydrophobicContact CG2-SD 4.19Å; I306-M310 PolarHBondContact O-N 3.39Å; I306-L316 HydrophobicContact CB-CD2 4.29Å; I306-L316 HydrophobicContact CG2-CD1 3.7Å; I306-L316 HydrophobicContact CG2-CD2 3.55Å; I306-L316 HydrophobicContact CG2-CG 4.28Å |
| 307 | R | 90.1 | Very high | 89.3 | Confident | 94 Ų | 94 | 65.9 Ų | 65.9 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.9 | -37.3 | 176.7 | -75.5 | -176 | 172.7 | 166 | 1.2 | 112.9 | L303 S309 M310 P313 L316 D317 | L303-R307 HydrophobicContact CD1-CG 4.38Å; L303-R307 WeakPolarHBondContact O-CG 3.49Å; L303-R307 PolarHBondContact O-N 3.04Å; R307-S309 VanDerWaalsContact C-N 3.3Å; R307-S309 PolarHBondContact O-N 3.09Å; R307-M310 PolarHBondContact O-N 2.73Å; R307-P313 HydrophobicContact CB-CB 3.76Å; R307-P313 HydrophobicContact CG-CB 3.78Å; R307-L316 HydrophobicContact CG-CD2 3.83Å; R307-D317 IonicContact CZ-OD2 3.58Å; R307-D317 IonicContact NH2-OD2 2.63Å; R307-D317 PolarHBondContact NH2-OD2 3.09Å |
| 308 | R | 90.8 | Very high | 89 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.2 | -27.6 | 172.9 | -76.2 | -178.4 | -66.3 | 128 | -7 | 114.1 | P205 P304 A305 I306 | P205-R308 WeakPolarHBondContact CD-O 3.35Å; P205-R308 HydrophobicContact CG-CB 4.2Å; P304-R308 WeakPolarHBondContact O-CG 3.31Å; P304-R308 PolarHBondContact O-N 3.46Å; P304-R308 PolarHBondContact O-NE 3.48Å; A305-R308 VanDerWaalsContact CB-NH2 3.28Å; A305-R308 PolarHBondContact O-N 3.34Å; I306-R308 VanDerWaalsContact C-N 3.3Å; I306-R308 PolarHBondContact O-N 2.99Å |
| 309 | S | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -84.8 | -8.9 | 180 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | P205 A305 I306 R307 | P205-S309 WeakPolarHBondContact O-CB 3.38Å; A305-S309 PolarHBondContact O-N 3.08Å; I306-S309 PolarHBondContact O-N 3.47Å; I306-S309 PolarHBondContact O-OG 2.91Å; R307-S309 VanDerWaalsContact C-N 3.3Å; R307-S309 PolarHBondContact O-N 3.09Å |
| 310 | M | 92.8 | Very high | 88.5 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | trans | -101.1 | 151.1 | -174.7 | -74 | 179.7 | 73.7 | 0 | 0 | 113.3 | F204 H239 F240 I306 R307 L316 L319 | F204-M310 WeakPolarHBondContact CE1-O 3.2Å; H239-M310 CarbonylContact O-C 3.48Å; H239-M310 WeakPolarHBondContact O-CA 2.94Å; F240-M310 HydrophobicContact CD1-CG 3.61Å; F240-M310 HydrophobicContact CE1-CG 3.29Å; F240-M310 HydrophobicContact CE1-SD 4Å; F240-M310 HydrophobicContact CZ-CG 3.98Å; F240-M310 HydrophobicContact CZ-SD 4.22Å; I306-M310 HydrophobicContact CG2-SD 4.19Å; I306-M310 PolarHBondContact O-N 3.39Å; R307-M310 PolarHBondContact O-N 2.73Å; M310-L316 HydrophobicContact CE-CB 4Å; M310-L316 HydrophobicContact CE-CD1 4.44Å; M310-L316 HydrophobicContact SD-CB 3.74Å; M310-L316 HydrophobicContact SD-CD1 3.71Å; M310-L316 HydrophobicContact SD-CD2 4.29Å; M310-L316 HydrophobicContact SD-CG 4.1Å; M310-L319 HydrophobicContact CE-CD1 3.83Å | ||
| 311 | A | 89.8 | Confident | 87.8 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -63.5 | -50.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E238 H239 P241 | E238-A311 WeakPolarHBondContact O-CB 3.48Å; H239-A311 PolarHBondContact O-N 3.37Å; P241-A311 HydrophobicContact CG-CB 3.73Å |
| 312 | N | 88.4 | Confident | 86.5 | Confident | 79 Ų | 79 | 56 Ų | 56 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | trans | -120.7 | 95 | -174.6 | -59 | -24.3 | 0 | 0 | 0 | 109.2 | D314 E315 | N312-D314 PolarHBondContact O-N 3.07Å; N312-E315 HydrophobicContact CB-CB 4.25Å; N312-E315 HydrophobicContact CB-CG 3.88Å; N312-E315 WeakPolarHBondContact CB-OE2 3.43Å; N312-E315 PolarHBondContact ND2-OE2 3.12Å; N312-E315 PolarHBondContact O-N 2.96Å | ||
| 313 | P | 85.3 | Confident | 84.8 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 28% | 0.279 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.4 | -174 | 27.3 | -35.2 | 0 | 0 | 0 | 113.8 | R307 E315 L316 | R307-P313 HydrophobicContact CB-CB 3.76Å; R307-P313 HydrophobicContact CG-CB 3.78Å; P313-E315 VanDerWaalsContact C-N 3.35Å; P313-L316 WeakPolarHBondContact O-CB 3.3Å |
| 314 | D | 84.8 | Confident | 83 | Confident | 125 Ų | 125 | 60.8 Ų | 60.8 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.2 | -179.9 | -52.1 | -62.1 | 0 | 0 | 0 | 113.3 | N312 | N312-D314 PolarHBondContact O-N 3.07Š|
| 315 | E | 84.7 | Confident | 80.8 | Confident | 67 Ų | 67 | 61.6 Ų | 61.6 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -21 | 175.8 | -64.6 | -172.9 | 136.9 | 0 | 0 | 112.2 | N312 P313 D317 K318 L319 | N312-E315 HydrophobicContact CB-CB 4.25Å; N312-E315 HydrophobicContact CB-CG 3.88Å; N312-E315 WeakPolarHBondContact CB-OE2 3.43Å; N312-E315 PolarHBondContact ND2-OE2 3.12Å; N312-E315 PolarHBondContact O-N 2.96Å; P313-E315 VanDerWaalsContact C-N 3.35Å; E315-D317 PolarHBondContact O-N 3.48Å; E315-K318 WeakPolarHBondContact O-CA 3.43Å; E315-K318 WeakPolarHBondContact O-CB 3.29Å; E315-K318 PolarHBondContact O-N 3.14Å; E315-L319 HydrophobicContact CB-CD1 4.27Å; E315-L319 HydrophobicContact CB-CG 4.48Å; E315-L319 VanDerWaalsContact O-CG 3.3Å; E315-L319 WeakPolarHBondContact O-CG 3.47Å; E315-L319 PolarHBondContact O-N 3.05Å |
| 316 | L | 85.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -50 | -45.1 | 177.4 | 178.8 | 60.1 | 0 | 0 | 0 | 112.7 | Y209 M217 L303 I306 R307 M310 P313 K318 I320 | Y209-L316 HydrophobicContact CE2-CD1 4.18Å; M217-L316 HydrophobicContact CE-CD1 4.35Å; L303-L316 HydrophobicContact CD1-CD2 3.52Å; I306-L316 HydrophobicContact CB-CD2 4.29Å; I306-L316 HydrophobicContact CG2-CD1 3.7Å; I306-L316 HydrophobicContact CG2-CD2 3.55Å; I306-L316 HydrophobicContact CG2-CG 4.28Å; R307-L316 HydrophobicContact CG-CD2 3.83Å; M310-L316 HydrophobicContact CE-CB 4Å; M310-L316 HydrophobicContact CE-CD1 4.44Å; M310-L316 HydrophobicContact SD-CB 3.74Å; M310-L316 HydrophobicContact SD-CD1 3.71Å; M310-L316 HydrophobicContact SD-CD2 4.29Å; M310-L316 HydrophobicContact SD-CG 4.1Å; P313-L316 WeakPolarHBondContact O-CB 3.3Å; L316-K318 VanDerWaalsContact C-N 3.29Å; L316-K318 PolarHBondContact O-N 2.85Å; L316-I320 HydrophobicContact CD1-CD1 3.5Å; L316-I320 VanDerWaalsContact CD1-CD1 3.5Å; L316-I320 HydrophobicContact CD1-CG1 4.19Å; L316-I320 HydrophobicContact CG-CD1 4.05Å; L316-I320 WeakPolarHBondContact O-CB 3.37Å; L316-I320 VanDerWaalsContact O-CG1 3.26Å; L316-I320 WeakPolarHBondContact O-CG1 3.44Å; L316-I320 PolarHBondContact O-N 3.31Å |
| 317 | D | 84.1 | Confident | 76.6 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.3 | -29.4 | -178.7 | -77.7 | -73.6 | 0 | 0 | 0 | 112.3 | K299 R307 E315 T321 | K299-D317 WeakPolarHBondContact CE-OD1 3.38Å; K299-D317 IonicContact NZ-OD1 3.39Å; K299-D317 PolarHBondContact NZ-OD1 3.43Å; R307-D317 IonicContact CZ-OD2 3.58Å; R307-D317 IonicContact NH2-OD2 2.63Å; R307-D317 PolarHBondContact NH2-OD2 3.09Å; E315-D317 PolarHBondContact O-N 3.48Å; D317-T321 WeakPolarHBondContact O-CB 3.42Å; D317-T321 PolarHBondContact O-N 3.21Å; D317-T321 PolarHBondContact O-OG1 3Å |
| 318 | K | 86.4 | Confident | 74.2 | Confident | 122 Ų | 122 | 73.8 Ų | 73.8 | 53% | 0.53 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.3 | -55.2 | 172.6 | -56.2 | 177.4 | -172.7 | 170.9 | 0 | 111.3 | E315 L316 I320 T321 D322 | E315-K318 WeakPolarHBondContact O-CA 3.43Å; E315-K318 WeakPolarHBondContact O-CB 3.29Å; E315-K318 PolarHBondContact O-N 3.14Å; L316-K318 VanDerWaalsContact C-N 3.29Å; L316-K318 PolarHBondContact O-N 2.85Å; K318-I320 CarbonylContact O-C 3.38Å; K318-I320 PolarHBondContact O-N 2.93Å; K318-T321 PolarHBondContact O-N 3.33Å; K318-D322 WeakPolarHBondContact O-CB 3.39Å; K318-D322 PolarHBondContact O-N 2.86Å |
| 319 | L | 85.9 | Confident | 71.8 | Confident | 13 Ų | 13 | 77.6 Ų | 77.6 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.8 | -27.4 | -178.1 | -63.3 | 168.8 | 0 | 0 | 0 | 113.4 | M217 N221 F235 M310 E315 | M217-L319 HydrophobicContact CG-CB 4.03Å; M217-L319 HydrophobicContact SD-CB 4.08Å; M217-L319 HydrophobicContact SD-CD1 4.04Å; N221-L319 HydrophobicContact CB-CD2 4.15Å; N221-L319 VanDerWaalsContact CG-CD2 3.47Å; N221-L319 PolarHBondContact ND2-O 3.39Å; N221-L319 WeakPolarHBondContact OD1-CD2 3.43Å; F235-L319 HydrophobicContact CE2-CD2 4.2Å; F235-L319 HydrophobicContact CZ-CD2 4.07Å; M310-L319 HydrophobicContact CE-CD1 3.83Å; E315-L319 HydrophobicContact CB-CD1 4.27Å; E315-L319 HydrophobicContact CB-CG 4.48Å; E315-L319 VanDerWaalsContact O-CG 3.3Å; E315-L319 WeakPolarHBondContact O-CG 3.47Å; E315-L319 PolarHBondContact O-N 3.05Å |
| 320 | I | 84.5 | Confident | 69.1 | Low | 2 Ų | 2 | 86.4 Ų | 86.4 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -88 | -56.6 | 172.6 | -64.8 | 179.6 | 0 | 0 | 0 | 111.5 | Y209 M217 K220 E292 M295 Q296 K299 L316 K318 | Y209-I320 VanDerWaalsContact OH-CD1 3.3Å; Y209-I320 WeakPolarHBondContact OH-CD1 3.46Å; M217-I320 HydrophobicContact CE-CG1 4.28Å; K220-I320 PolarHBondContact NZ-O 2.94Å; E292-I320 VanDerWaalsContact OE1-CG2 3.31Å; E292-I320 WeakPolarHBondContact OE1-CG2 3.34Å; M295-I320 HydrophobicContact CE-CB 4.35Å; M295-I320 HydrophobicContact CE-CG1 4Å; M295-I320 HydrophobicContact CE-CG2 4.34Å; M295-I320 HydrophobicContact CG-CD1 4.02Å; M295-I320 HydrophobicContact CG-CG1 3.95Å; M295-I320 HydrophobicContact SD-CG1 3.9Å; Q296-I320 HydrophobicContact CG-CG2 4.3Å; K299-I320 HydrophobicContact CB-CD1 4.32Å; K299-I320 HydrophobicContact CD-CD1 3.86Å; K299-I320 HydrophobicContact CD-CG2 4.38Å; K299-I320 HydrophobicContact CG-CD1 4.21Å; L316-I320 HydrophobicContact CD1-CD1 3.5Å; L316-I320 VanDerWaalsContact CD1-CD1 3.5Å; L316-I320 HydrophobicContact CD1-CG1 4.19Å; L316-I320 HydrophobicContact CG-CD1 4.05Å; L316-I320 WeakPolarHBondContact O-CB 3.37Å; L316-I320 VanDerWaalsContact O-CG1 3.26Å; L316-I320 WeakPolarHBondContact O-CG1 3.44Å; L316-I320 PolarHBondContact O-N 3.31Å; K318-I320 CarbonylContact O-C 3.38Å; K318-I320 PolarHBondContact O-N 2.93Å |
| 321 | T | 76.1 | Confident | 66.5 | Low | 92 Ų | 92 | 90.4 Ų | 90.4 | 56% | 0.564 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -82.1 | -25.1 | -166.4 | -41.4 | 0 | 0 | 0 | 0 | 113.9 | D317 K318 R323 | D317-T321 WeakPolarHBondContact O-CB 3.42Å; D317-T321 PolarHBondContact O-N 3.21Å; D317-T321 PolarHBondContact O-OG1 3Å; K318-T321 PolarHBondContact O-N 3.33Å; T321-R323 VanDerWaalsContact C-N 3.34Å; T321-R323 PolarHBondContact O-N 2.88Å |
| 322 | D | 65.3 | Low | 64.3 | Low | 98 Ų | 98 | 94.8 Ų | 94.8 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | trans | -68.2 | 93.6 | 172.3 | -83.7 | -60 | 0 | 0 | 0 | 110 | K318 P324 | K318-D322 WeakPolarHBondContact O-CB 3.39Å; K318-D322 PolarHBondContact O-N 2.86Å; D322-P324 WeakPolarHBondContact O-CD 3.3Å | ||
| 323 | R | 53.1 | Low | 61.9 | Low | 167 Ų | 167 | 98.7 Ų | 98.7 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | trans | -64.2 | 115.4 | 157.9 | 168.7 | -175.4 | 167.3 | 124.7 | 3.7 | 107.3 | T321 E325 | T321-R323 VanDerWaalsContact C-N 3.34Å; T321-R323 PolarHBondContact O-N 2.88Å; R323-E325 IonicContact NE-OE1 2.68Å; R323-E325 PolarHBondContact NE-OE1 2.53Å; R323-E325 PolarHBondContact O-N 3.07Å | ||
| 324 | P | 52 | Low | 60.3 | Low | 37 Ų | 37 | 103 Ų | 103 | 24% | 0.24 | 51% | 0.513 | C | S | . | . | trans | -65.6 | 108.1 | 175 | 27 | -34.9 | 0 | 0 | 0 | 109.5 | D322 N326 C327 | D322-P324 WeakPolarHBondContact O-CD 3.3Å; P324-N326 PolarHBondContact O-N 3.03Å; P324-C327 HydrophobicContact CG-CB 4.36Å; P324-C327 WeakPolarHBondContact O-CB 3.31Å; P324-C327 PolarHBondContact O-N 2.58Å | ||
| 325 | E | 44.4 | Very low | 58.2 | Low | 102 Ų | 102 | 100.2 Ų | 100.2 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -56.6 | -23 | 173.3 | -82.8 | -64 | 105.4 | 0 | 0 | 111.7 | R323 C327 R328 | R323-E325 IonicContact NE-OE1 2.68Å; R323-E325 PolarHBondContact NE-OE1 2.53Å; R323-E325 PolarHBondContact O-N 3.07Å; E325-C327 PolarHBondContact O-N 3.06Å; E325-C327 VanDerWaalsContact O-N 3.16Å; E325-R328 VanDerWaalsContact O-CB 3.26Å; E325-R328 WeakPolarHBondContact O-CB 3.45Å; E325-R328 PolarHBondContact O-N 3.48Å; E325-R328 IonicContact OE2-NH1 2.74Å |
| 326 | N | 48.3 | Very low | 56.3 | Low | 128 Ų | 128 | 106 Ų | 106 | 68% | 0.684 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -55.6 | -26 | 170.5 | -66.5 | 8.6 | 0 | 0 | 0 | 114.2 | K223 P324 R328 | K223-N326 PolarHBondContact O-ND2 2.95Å; P324-N326 PolarHBondContact O-N 3.03Å; N326-R328 VanDerWaalsContact C-N 3.31Å |
| 327 | C | 45 | Very low | 54.3 | Low | 75 Ų | 75 | 112.3 Ų | 112.3 | 51% | 0.507 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -79.1 | -14.2 | 175.8 | -73.8 | 0 | 0 | 0 | 0 | 113 | P324 E325 R329 | P324-C327 HydrophobicContact CG-CB 4.36Å; P324-C327 WeakPolarHBondContact O-CB 3.31Å; P324-C327 PolarHBondContact O-N 2.58Å; E325-C327 PolarHBondContact O-N 3.06Å; E325-C327 VanDerWaalsContact O-N 3.16Å; C327-R329 PolarHBondContact O-N 3.09Å; C327-R329 VanDerWaalsContact O-N 3.13Å |
| 328 | R | 39.6 | Very low | 52.1 | Low | 155 Ų | 155 | 121.5 Ų | 121.5 | 59% | 0.585 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -77.6 | 95.4 | 169.2 | -166.9 | -179 | -165 | 164.1 | 2.2 | 108.2 | E325 N326 K330 | E325-R328 VanDerWaalsContact O-CB 3.26Å; E325-R328 WeakPolarHBondContact O-CB 3.45Å; E325-R328 PolarHBondContact O-N 3.48Å; E325-R328 IonicContact OE2-NH1 2.74Å; N326-R328 VanDerWaalsContact C-N 3.31Å; R328-K330 PolarHBondContact O-N 2.88Å |
| 329 | R | 40 | Very low | 49.8 | Very low | 231 Ų | 231 | 123.9 Ų | 123.9 | 87% | 0.872 | 63% | 0.631 | S | S | * | * | trans | -52.2 | 115.3 | 161.9 | -60.7 | -172 | -153.3 | 133.1 | 2.4 | 106.9 | C327 | C327-R329 PolarHBondContact O-N 3.09Å; C327-R329 VanDerWaalsContact O-N 3.13Å | ||
| 330 | K | 34.2 | Very low | 47.6 | Very low | 186 Ų | 186 | 128.4 Ų | 128.4 | 81% | 0.809 | 67% | 0.67 | S | S | * | * | trans | -59.6 | 135.6 | 167.3 | -69.5 | -173.1 | 176.9 | -175.4 | 0 | 107.5 | R328 | R328-K330 PolarHBondContact O-N 2.88Š| ||
| 331 | P | 38.8 | Very low | 45.1 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 58% | 0.578 | 71% | 0.709 | S | S | * | * | trans | -52.7 | 142.6 | 160.6 | -22.1 | 33.8 | 0 | 0 | 0 | 108.9 | E333 | P331-E333 VanDerWaalsContact C-N 3.34Å; P331-E333 PolarHBondContact O-N 3.47Å | ||
| 332 | P | 42.6 | Very low | 43.1 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -70.1 | 94.4 | 170.5 | 28.8 | -32.3 | 0 | 0 | 0 | 109 | P334 | P332-P334 VanDerWaalsContact O-CD 3.32Å; P332-P334 WeakPolarHBondContact O-CD 3.19Å | ||
| 333 | E | 39.7 | Very low | 41.6 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | -57.3 | 117.2 | 174 | -70.4 | -66.3 | 134.1 | 0 | 0 | 110.8 | P331 G335 | P331-E333 VanDerWaalsContact C-N 3.34Å; P331-E333 PolarHBondContact O-N 3.47Å; E333-G335 PolarHBondContact O-N 3.41Å; E333-G335 VanDerWaalsContact O-N 3.11Å | ||
| 334 | P | 51.6 | Low | 40.7 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -84.9 | 81.1 | 179 | 33.7 | -32.3 | 0 | 0 | 0 | 110.4 | P332 | P332-P334 VanDerWaalsContact O-CD 3.32Å; P332-P334 WeakPolarHBondContact O-CD 3.19Å | ||
| 335 | G | 40.6 | Very low | 39.9 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -153.1 | 82.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | E333 | E333-G335 PolarHBondContact O-N 3.41Å; E333-G335 VanDerWaalsContact O-N 3.11Å | ||
| 336 | M | 43.9 | Very low | 39.8 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | 19.8 | 116 | 155.1 | -69.9 | -175.5 | 164.8 | 0 | 0 | 121 | ||||
| 337 | T | 45 | Very low | 39.8 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -23 | 125 | 145.8 | -47.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 338 | R | 36.7 | Very low | 39.4 | Very low | 246 Ų | 246 | 142.6 Ų | 142.6 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | -144.2 | 160.1 | 139.1 | -78.2 | -149.5 | 173 | -117 | -7.6 | 111.4 | ||||
| 339 | L | 38.8 | Very low | 39.7 | Very low | 173 Ų | 173 | 140 Ų | 140 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -89.6 | 170.3 | -167.6 | -74.2 | 164.8 | 0 | 0 | 0 | 113.7 | ||||
| 340 | A | 38.4 | Very low | 39.6 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -71 | 155.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 341 | G | 33.2 | Very low | 40.3 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -163.8 | 144.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 342 | C | 33.5 | Very low | 40.1 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -129.4 | 176.6 | -173.3 | -162.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 343 | T | 33.3 | Very low | 39.7 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | 83.2 | 147.3 | 171.1 | 75.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 344 | T | 35.9 | Very low | 39.3 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 83% | 0.827 | S | S | * | * | trans | 1.6 | 149.5 | 158.4 | 45.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 345 | G | 34.7 | Very low | 38.5 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | cis | 145.8 | 133.9 | 1.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 346 | L | 41.4 | Very low | 38.6 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | trans | 67.3 | 147.8 | -178.9 | -61.8 | 175.6 | 0 | 0 | 0 | 117.7 | ||||
| 347 | P | 47.9 | Very low | 38 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | trans | -112.6 | 161.6 | -179.2 | 41 | -33.2 | 0 | 0 | 0 | 114.9 | ||||
| 348 | L | 37.2 | Very low | 38.3 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -143.8 | 160.4 | 159.3 | -111.6 | 106.5 | 0 | 0 | 0 | 111.2 | ||||
| 349 | P | 47.2 | Very low | 38.1 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | trans | -114.7 | 154 | -165 | 41.5 | -32.2 | 0 | 0 | 0 | 116.4 | ||||
| 350 | V | 36.1 | Very low | 38 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | 42.8 | 144.3 | 126.5 | -178.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 351 | P | 50.5 | Low | 37.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -130.8 | 176.2 | 4 | 36.7 | -19.1 | 0 | 0 | 0 | 116.4 | ||||
| 352 | A | 33.6 | Very low | 37.9 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -162.9 | 146.1 | 135.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 353 | Q | 34.8 | Very low | 38 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -104.2 | 152.1 | 164.9 | -70 | -171.9 | 35.1 | 0 | 0 | 110.3 | ||||
| 354 | M | 31.5 | Very low | 38.2 | Very low | 177 Ų | 177 | 135 Ų | 135 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | -173.3 | 152.4 | 129.3 | -104.1 | -68.6 | 118.1 | 0 | 0 | 111.6 | |||||
| 355 | Q | 34.9 | Very low | 38.7 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | -114.6 | 154.8 | 169.5 | -139.5 | -169.7 | -22.6 | 0 | 0 | 107.6 | ||||
| 356 | P | 41.4 | Very low | 38.6 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | -148.4 | -173.8 | 81.2 | 35.5 | -14 | 0 | 0 | 0 | 115.7 | |||||
| 357 | Q | 32.7 | Very low | 38.4 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | trans | -93.4 | -171.1 | 176.2 | -67.4 | -78.8 | -0.6 | 0 | 0 | 111.2 | ||||
| 358 | P | 49.9 | Very low | 38.3 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | cis | -131 | -169.1 | -18.6 | 21.8 | 3.6 | 0 | 0 | 0 | 113.1 | ||||
| 359 | I | 33 | Very low | 38.1 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | 153 | 140 | 125.7 | -82.6 | 172.3 | 0 | 0 | 0 | 115.5 | |||||
| 360 | V | 37.4 | Very low | 37.8 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 22.7 | 127.6 | 177 | -63.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 361 | T | 34.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | 83.2 | 110.5 | 48.9 | -57.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 362 | L | 35.4 | Very low | 36.9 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -154.5 | 147.2 | 136.5 | -109.1 | 173.9 | 0 | 0 | 0 | 109.2 | ||||
| 363 | S | 35 | Very low | 37.1 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -152.7 | 145 | -164.7 | 53 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 364 | L | 36.4 | Very low | 37.3 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -144.6 | 159.4 | 167.4 | -92.1 | 111.2 | 0 | 0 | 0 | 112.7 | ||||
| 365 | P | 46.4 | Very low | 37.7 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -94.6 | 163.8 | -162.6 | -0.8 | 24.1 | 0 | 0 | 0 | 113.5 | ||||
| 366 | C | 32.5 | Very low | 37.8 | Very low | 114 Ų | 114 | 145 Ų | 145 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | cis | 81.8 | 120.1 | 35.1 | -153.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 367 | L | 38.4 | Very low | 37.5 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | cis | -145.9 | -136.9 | 0.5 | -129 | -177.1 | 0 | 0 | 0 | 111.6 | ||||
| 368 | P | 46 | Very low | 37.6 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -109.4 | -176.8 | -160.6 | 45.4 | -34.3 | 0 | 0 | 0 | 115.7 | ||||
| 369 | M | 31.5 | Very low | 37 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -134.2 | 134.2 | 173.4 | -132.5 | -58.1 | 113.4 | 0 | 0 | 111.9 | ||||
| 370 | H | 41.1 | Very low | 37 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | trans | -163.5 | 94.3 | -178.4 | -168.4 | -81.6 | 0 | 0 | 0 | 113.2 | ||||
| 371 | Q | 33.7 | Very low | 36.6 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -166.2 | 125.2 | 151.6 | -113.7 | -173.2 | 10.3 | 0 | 0 | 114.2 | ||||
| 372 | H | 34 | Very low | 36.7 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | 39.6 | 119.4 | 119.4 | -150.4 | -90.6 | 0 | 0 | 0 | 119.8 | |||||
| 373 | H | 38.9 | Very low | 36.6 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -149.3 | 154.3 | 140.2 | -106.5 | 74.6 | 0 | 0 | 0 | 110 | ||||
| 374 | Q | 38.3 | Very low | 36.4 | Very low | 138 Ų | 138 | 149 Ų | 149 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | trans | -137.9 | 145.5 | -165.9 | 167.3 | -172 | -22.7 | 0 | 0 | 109.3 | ||||
| 375 | L | 39.6 | Very low | 36.2 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -143.3 | 149.7 | 169.3 | -137.5 | 80.4 | 0 | 0 | 0 | 113.4 | ||||
| 376 | Q | 36.9 | Very low | 35.6 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -96.4 | 173.2 | 179 | -76.3 | 166 | -90.5 | 0 | 0 | 110.8 | ||||
| 377 | A | 36.6 | Very low | 35.7 | Very low | 73 Ų | 73 | 150.6 Ų | 150.6 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | cis | -170.9 | 176.5 | -24.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 378 | Q | 34 | Very low | 35.3 | Very low | 173 Ų | 173 | 149.7 Ų | 149.7 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | 9 | 150.1 | 145.2 | -67.2 | 169 | -94.1 | 0 | 0 | 120.3 | ||||
| 379 | L | 36.5 | Very low | 34.7 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | cis | -170.3 | 179.7 | 12.3 | -120.2 | 170.8 | 0 | 0 | 0 | 111.6 | ||||
| 380 | H | 33.5 | Very low | 35.7 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 74.2 | 149.7 | 159.9 | -62.7 | 148.7 | 0 | 0 | 0 | 119.6 | ||||
| 381 | A | 30.1 | Very low | 35.1 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | cis | -163.1 | 154.9 | -15.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 382 | Q | 36.4 | Very low | 35 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | 47.2 | 112.6 | 143 | -70 | 177.8 | -36.7 | 0 | 0 | 125.1 | ||||
| 383 | A | 32.9 | Very low | 34.8 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 89.6 | 140.8 | 111 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 384 | R | 31.1 | Very low | 34.5 | Very low | 232 Ų | 232 | 142.2 Ų | 142.2 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | 71.4 | 152.8 | 156.5 | -74.3 | -176.3 | 174.5 | 166.9 | -1.6 | 119.8 | ||||
| 385 | L | 32.2 | Very low | 34 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | cis | -171.5 | 154.3 | -33 | -119.4 | -173.2 | 0 | 0 | 0 | 111.6 | ||||
| 386 | L | 33.9 | Very low | 34.7 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 73.8 | 139.2 | 156.4 | -62.1 | -178.3 | 0 | 0 | 0 | 124.6 | ||||
| 387 | H | 34.4 | Very low | 34.3 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 40 | 130.3 | 150.7 | -62.8 | -69.1 | 0 | 0 | 0 | 122.4 | ||||
| 388 | T | 29 | Very low | 33.9 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | -176.4 | 170.7 | 80.2 | 30 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 389 | V | 35.1 | Very low | 33.8 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -130.6 | 143.2 | 171.5 | -74.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 390 | P | 50.6 | Low | 33.4 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | -151.3 | -178.2 | 119.1 | 39.2 | -22.9 | 0 | 0 | 0 | 114.3 | |||||
| 391 | D | 28.7 | Very low | 34.1 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | cis | -169.3 | 169.7 | -42 | -169.3 | 26.2 | 0 | 0 | 0 | 110.7 | ||||
| 392 | L | 33 | Very low | 34 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | 22.4 | 128.7 | 160 | -109.9 | 69.6 | 0 | 0 | 0 | 122.8 | ||||
| 393 | S | 30 | Very low | 33.8 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | 163.2 | 133.9 | 106.3 | 52.1 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 394 | H | 31.1 | Very low | 35 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | 26.3 | 118.6 | 151.2 | -58.4 | -78.2 | 0 | 0 | 0 | 126.7 | ||||
| 395 | S | 27.6 | Very low | 36 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | 13.8 | 169.2 | 112.5 | -80.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 396 | P | 55.3 | Low | 36 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | cis | -141.3 | -169.2 | -16.5 | 35.4 | -13.3 | 0 | 0 | 0 | 115.9 | ||||
| 397 | L | 29.2 | Very low | 35.9 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | 140.5 | 120.3 | 119 | -148.1 | 81.9 | 0 | 0 | 0 | 119.3 | |||||
| 398 | T | 28.1 | Very low | 35.6 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | trans | 37.3 | 133.6 | 150.9 | 58.9 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 399 | Q | 30.9 | Very low | 35.9 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | -161.3 | 164.5 | 105 | -111.8 | 170.9 | 87.2 | 0 | 0 | 114.5 | |||||
| 400 | Q | 27.7 | Very low | 35.7 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -139.4 | -167.8 | -178.8 | -126.3 | -156.6 | 20.1 | 0 | 0 | 107.1 | ||||
| 401 | P | 48.8 | Very low | 35.1 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | cis | -135.2 | 175.8 | -7.1 | 41.8 | -25.8 | 0 | 0 | 0 | 116.1 | ||||
| 402 | S | 27.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -162.3 | 162.4 | 135.6 | -3.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 403 | K | 33.6 | Very low | 35 | Very low | 205 Ų | 205 | 138.8 Ų | 138.8 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | trans | -128 | 146.7 | -166.8 | -101.4 | -164.4 | 167.5 | -171.8 | 0 | 115.9 | ||||
| 404 | P | 56.6 | Low | 35 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | trans | -85.9 | 170.1 | 160 | 39.3 | -36.3 | 0 | 0 | 0 | 111.5 | ||||
| 405 | P | 53.6 | Low | 35.2 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | -104.5 | 177.8 | 94.2 | 36.9 | -41.6 | 0 | 0 | 0 | 112 | |||||
| 406 | D | 31.4 | Very low | 35.6 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | cis | -147.4 | 154.8 | 26.4 | -49.9 | -91.1 | 0 | 0 | 0 | 111.3 | ||||
| 407 | D | 31.2 | Very low | 35 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | cis | -160.3 | -106.7 | -25.7 | -167.8 | 24.1 | 0 | 0 | 0 | 110.6 | ||||
| 408 | F | 29.1 | Very low | 35.4 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -71.7 | 135.9 | -176.7 | -86.9 | -93.3 | 0 | 0 | 0 | 114.9 | ||||
| 409 | Y | 35 | Very low | 36 | Very low | 207 Ų | 207 | 142.7 Ų | 142.7 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | cis | 72.3 | 150.2 | 18.9 | -89.9 | -109 | 0 | 0 | 0 | 116.1 | ||||
| 410 | S | 31.7 | Very low | 37 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -148.9 | 163.3 | 7.2 | -164.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 411 | V | 37.6 | Very low | 37.9 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -81.5 | 159.7 | 153.3 | 166.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 412 | Q | 27.2 | Very low | 37.9 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -122.2 | 135 | 156.3 | -170.4 | 167.6 | -4.2 | 0 | 0 | 110.3 | ||||
| 413 | S | 32 | Very low | 38.7 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -105.7 | 156.7 | 178.1 | -46.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 414 | D | 29 | Very low | 39.4 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | -147.1 | 147.2 | 150.6 | -101.7 | -44.7 | 0 | 0 | 0 | 113.5 | ||||
| 415 | T | 36.1 | Very low | 38.9 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | trans | -14.2 | 134 | 176.1 | 57.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 416 | N | 35 | Very low | 38.6 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | -160.6 | 146.6 | 111.1 | -98.8 | -51.6 | 0 | 0 | 0 | 111.8 | |||||
| 417 | T | 42.9 | Very low | 39.5 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | -157.3 | 162.7 | 178.3 | -60.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 418 | E | 38.1 | Very low | 40 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 77.5 | 142.4 | -157.8 | -58.8 | -167.3 | 81.4 | 0 | 0 | 113.2 | ||||
| 419 | V | 41.8 | Very low | 40.6 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | cis | -135 | 153.1 | -3.6 | -122.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 420 | D | 50.3 | Low | 41.2 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | -97.7 | 128 | 172.2 | -173.1 | 5.9 | 0 | 0 | 0 | 110.3 | ||||
| 421 | A | 48 | Very low | 42 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -170.4 | 63.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 422 | L | 49.1 | Very low | 42.2 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -120.8 | 131.6 | 161.9 | -75.6 | 177.7 | 0 | 0 | 0 | 111.9 | ||||
| 423 | D | 42.8 | Very low | 43.4 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 56% | 0.556 | 75% | 0.751 | S | S | * | * | trans | -55.2 | 128.5 | -168.9 | 174 | 16.2 | 0 | 0 | 0 | 114.2 | S425 | D423-S425 PolarHBondContact O-N 3.21Å; D423-S425 VanDerWaalsContact O-N 3.12Å; D423-S425 WeakPolarHBondContact OD1-CB 3.26Å; D423-S425 PolarHBondContact OD1-N 3.04Å; D423-S425 PolarHBondContact OD1-OG 3.29Å; D423-S425 VanDerWaalsContact OD2-CB 3.26Å; D423-S425 WeakPolarHBondContact OD2-CB 3.48Å; D423-S425 PolarHBondContact OD2-OG 3.14Å | ||
| 424 | P | 48.7 | Very low | 44.3 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -68.7 | -0.1 | 176.5 | 29.5 | -36.3 | 0 | 0 | 0 | 115.2 | I426 | P424-I426 PolarHBondContact O-N 2.96Š|
| 425 | S | 46.1 | Very low | 45.3 | Very low | 67 Ų | 67 | 134.3 Ų | 134.3 | 47% | 0.469 | 75% | 0.746 | S | S | . | * | G | 310 helix | trans | -62.4 | -21.9 | 176.4 | 72 | 0 | 0 | 0 | 0 | 114.9 | D423 M427 D428 | D423-S425 PolarHBondContact O-N 3.21Å; D423-S425 VanDerWaalsContact O-N 3.12Å; D423-S425 WeakPolarHBondContact OD1-CB 3.26Å; D423-S425 PolarHBondContact OD1-N 3.04Å; D423-S425 PolarHBondContact OD1-OG 3.29Å; D423-S425 VanDerWaalsContact OD2-CB 3.26Å; D423-S425 WeakPolarHBondContact OD2-CB 3.48Å; D423-S425 PolarHBondContact OD2-OG 3.14Å; S425-M427 PolarHBondContact O-N 3.41Å; S425-M427 VanDerWaalsContact O-N 3.07Å; S425-D428 PolarHBondContact O-N 3.29Å |
| 426 | I | 47.5 | Very low | 46 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -74.6 | -0.1 | -167.7 | -153 | 165.3 | 0 | 0 | 0 | 115.3 | P424 | P424-I426 PolarHBondContact O-N 2.96Š|
| 427 | M | 50.3 | Low | 46.8 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -93.9 | -10.9 | 178.5 | -64.6 | -168.8 | 179.8 | 0 | 0 | 114.6 | S425 F429 | S425-M427 PolarHBondContact O-N 3.41Å; S425-M427 VanDerWaalsContact O-N 3.07Å; M427-F429 PolarHBondContact O-N 3.3Å |
| 428 | D | 42.5 | Very low | 47.1 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -88.2 | -2.4 | -168.7 | -148.5 | 24 | 0 | 0 | 0 | 115 | S425 A430 | S425-D428 PolarHBondContact O-N 3.29Å; D428-A430 PolarHBondContact O-N 2.87Å |
| 429 | F | 41.4 | Very low | 47.8 | Very low | 196 Ų | 196 | 138 Ų | 138 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -78.4 | 3.4 | 173.9 | -76.1 | -78.4 | 0 | 0 | 0 | 114.3 | M427 | M427-F429 PolarHBondContact O-N 3.3Š|
| 430 | A | 46.7 | Very low | 48.3 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -89.2 | -4.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D428 | D428-A430 PolarHBondContact O-N 2.87Š|
| 431 | F | 48.1 | Very low | 48.1 | Very low | 193 Ų | 193 | 138.2 Ų | 138.2 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -126.3 | 30.7 | -171.1 | -100.6 | -77.4 | 0 | 0 | 0 | 116.3 | ||
| 432 | Q | 42.3 | Very low | 48 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | -126.2 | 85.1 | 160.7 | -80.6 | -175.2 | -2.8 | 0 | 0 | 112 | ||||
| 433 | G | 51.8 | Low | 48.1 | Very low | 59 Ų | 59 | 137.5 Ų | 137.5 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | trans | -71.2 | 176.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 434 | N | 52.3 | Low | 48.2 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 77.7 | 27.9 | 167.7 | -44.2 | 0.2 | 0 | 0 | 0 | 117.8 | ||||
| 435 | L | 49.2 | Very low | 47.6 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 61% | 0.607 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -103.9 | -24.2 | 165.6 | -164.4 | 66.6 | 0 | 0 | 0 | 113.9 | E437 | L435-E437 VanDerWaalsContact C-N 3.34Š|
| 436 | W | 51.5 | Low | 47.4 | Very low | 225 Ų | 225 | 149 Ų | 149 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -16 | 179.3 | -173.8 | -99.3 | 0 | 0 | 0 | 113.8 | ||
| 437 | E | 51.7 | Low | 47 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -36 | 176.6 | -72.5 | 174.7 | 123.9 | 0 | 0 | 111.8 | L435 M439 K440 | L435-E437 VanDerWaalsContact C-N 3.34Å; E437-M439 PolarHBondContact O-N 3.14Å; E437-K440 VanDerWaalsContact O-CB 3.29Å; E437-K440 WeakPolarHBondContact O-CB 3.4Å; E437-K440 PolarHBondContact O-N 3.3Å; E437-K440 VanDerWaalsContact O-N 3.09Å |
| 438 | E | 48.2 | Very low | 46.6 | Very low | 138 Ų | 138 | 146 Ų | 146 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -63 | -42.3 | 178.3 | -167.3 | 168.3 | -143.2 | 0 | 0 | 112.4 | K440 | E438-K440 PolarHBondContact O-N 3.12Å |
| 439 | M | 53.8 | Low | 46.4 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -68.5 | -0.8 | 175.3 | -72.6 | -168.4 | 173.2 | 0 | 0 | 115.1 | E437 | E437-M439 PolarHBondContact O-N 3.14Å |
| 440 | K | 53 | Low | 46.3 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -96.4 | -32.1 | -177.3 | -168.6 | -175.5 | 166.3 | -143.2 | 0 | 113.3 | E437 E438 | E437-K440 VanDerWaalsContact O-CB 3.29Å; E437-K440 WeakPolarHBondContact O-CB 3.4Å; E437-K440 PolarHBondContact O-N 3.3Å; E437-K440 VanDerWaalsContact O-N 3.09Å; E438-K440 PolarHBondContact O-N 3.12Å |
| 441 | D | 45.9 | Very low | 45.9 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -90.6 | -20.2 | -172.1 | -68.3 | -31.9 | 0 | 0 | 0 | 113.2 | S443 | D441-S443 PolarHBondContact O-N 3.35Å |
| 442 | D | 45.8 | Very low | 45 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 9 | 178.2 | -105.6 | -6.9 | 0 | 0 | 0 | 115 | ||
| 443 | S | 50.3 | Low | 44.4 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | 22.5 | -170.5 | -138.4 | 0 | 0 | 0 | 0 | 116.2 | D441 | D441-S443 PolarHBondContact O-N 3.35Š|
| 444 | F | 44.8 | Very low | 43.4 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | -149.6 | 81.2 | 160.3 | -84.7 | -64.7 | 0 | 0 | 0 | 112.7 | ||||
| 445 | N | 35.6 | Very low | 42.5 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -134.1 | 100.9 | 169.6 | -146 | -34.8 | 0 | 0 | 0 | 110.4 | ||||
| 446 | L | 41.9 | Very low | 42.1 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -108.5 | 38.5 | -167.2 | -162.7 | 69.9 | 0 | 0 | 0 | 112.8 | ||||
| 447 | D | 39.5 | Very low | 41.1 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -124.9 | 22.4 | -177 | -128.4 | -51.2 | 0 | 0 | 0 | 113.3 | ||||
| 448 | A | 42.9 | Very low | 40.2 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -115.2 | 12.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 449 | L | 38.2 | Very low | 39.2 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -118.8 | 26.6 | 174.6 | -69.7 | 176.3 | 0 | 0 | 0 | 112.9 | ||||
| 450 | G | 39.3 | Very low | 38.2 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -82 | -11.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 451 | T | 38.3 | Very low | 37.2 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -145.2 | 105.3 | -174.2 | -49.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 452 | F | 28.6 | Very low | 36.8 | Very low | 214 Ų | 214 | 138.9 Ų | 138.9 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | -175.3 | 68.1 | 139.6 | -85.9 | -50.4 | 0 | 0 | 0 | 110.3 | ||||
| 453 | S | 30.4 | Very low | 36.2 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -89.1 | 115.6 | 164.1 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 454 | N | 31.1 | Very low | 35.5 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -172.3 | 118 | 155.3 | -95.7 | -39.9 | 0 | 0 | 0 | 110.4 | ||||
| 455 | S | 32.2 | Very low | 34.7 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -80.7 | 169.6 | 172.6 | -45.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 456 | P | 40.3 | Very low | 34.6 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -152.3 | 139.4 | 87.9 | 36.8 | -17.4 | 0 | 0 | 0 | 118.5 | |||||
| 457 | L | 30.8 | Very low | 34.2 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 47.6 | 114.5 | 133.6 | -56.4 | 174.7 | 0 | 0 | 0 | 122.8 | ||||
| 458 | R | 33.1 | Very low | 33.9 | Very low | 210 Ų | 210 | 130 Ų | 130 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | 177.8 | 108.4 | 125.8 | -96.5 | -73.1 | 104.2 | 94.3 | -6.1 | 107.1 | |||||
| 459 | L | 27.7 | Very low | 33.6 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | cis | 82.2 | 128.7 | 45.5 | -147.3 | 179.9 | 0 | 0 | 0 | 112.7 | ||||
| 460 | S | 32.8 | Very low | 33.8 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | 87.9 | 146.1 | 178.1 | -65.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 461 | D | 32.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | -167.5 | 156.1 | -24.4 | -93.4 | -36.4 | 0 | 0 | 0 | 107.8 | ||||
| 462 | C | 37.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | cis | -129.1 | -100.9 | -8.2 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 463 | D | 32.1 | Very low | 34.6 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | cis | -153.1 | -166 | -2.5 | -163.3 | 5.9 | 0 | 0 | 0 | 111.3 | ||||
| 464 | L | 35.7 | Very low | 34.7 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -83.9 | 148.9 | -153.7 | -117.5 | 68.6 | 0 | 0 | 0 | 119.9 | ||||
| 465 | G | 29.5 | Very low | 34.7 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 149.5 | 80.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 466 | S | 33 | Very low | 34.6 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 66.4 | 126.3 | 87.8 | -175.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 467 | V | 32.6 | Very low | 34.3 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | -158.2 | 155.5 | 0.2 | 122 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 468 | S | 33.9 | Very low | 34.6 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -105.4 | 151 | 174.8 | -46.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 469 | L | 36.4 | Very low | 35.4 | Very low | 168 Ų | 168 | 118.3 Ų | 118.3 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -166.7 | 173 | 159.5 | -101.6 | 178.1 | 0 | 0 | 0 | 110.3 | ||||
| 470 | P | 43.5 | Very low | 35.5 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -130.9 | -172.4 | -132.7 | 44.9 | -26 | 0 | 0 | 0 | 115.2 | ||||
| 471 | P | 57.4 | Low | 35.5 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -101.6 | 161.5 | -172.7 | 38.4 | -33.5 | 0 | 0 | 0 | 115.5 | ||||
| 472 | A | 31.9 | Very low | 35.4 | Very low | 105 Ų | 105 | 122 Ų | 122 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -154.5 | 160.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 473 | S | 32.4 | Very low | 35.5 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -118 | 152.4 | -167.8 | -46.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 474 | S | 33.6 | Very low | 35.6 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | 167.1 | 146.9 | 124.3 | 48.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 475 | G | 30.5 | Very low | 35.6 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 90.7 | 109 | 139.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 476 | G | 30.6 | Very low | 35.9 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 125.5 | 113.2 | 133.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 477 | S | 33.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 69.7 | 139.5 | 156.6 | 65.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 478 | V | 37.9 | Very low | 36.2 | Very low | 140 Ų | 140 | 125 Ų | 125 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -139.3 | 146.1 | -179.6 | -174.3 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 479 | P | 48.4 | Very low | 36.1 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | cis | -137.9 | 173.5 | 42.6 | 44.1 | -25.2 | 0 | 0 | 0 | 115 | ||||
| 480 | L | 29.8 | Very low | 36.1 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -164.7 | 171.9 | 57.4 | -161.3 | 64.1 | 0 | 0 | 0 | 112.6 | |||||
| 481 | S | 33.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -45.9 | 144.7 | -174.7 | -42.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 482 | D | 30.8 | Very low | 34.7 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -138.9 | 158.9 | 144.8 | -148.4 | -25.5 | 0 | 0 | 0 | 109.8 | ||||
| 483 | V | 37.7 | Very low | 34.9 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -115.8 | 141 | -165.5 | 170.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 484 | Q | 35.4 | Very low | 35.1 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -74.3 | 139.7 | -173 | -56.9 | 169.6 | -0.9 | 0 | 0 | 113.6 | ||||
| 485 | V | 35.4 | Very low | 35.1 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -138.4 | 120.6 | 135.3 | -180 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 486 | T | 36.1 | Very low | 35.2 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -113.9 | 137.8 | 172.5 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 487 | G | 33 | Very low | 36 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -136.6 | 109.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 488 | L | 39.5 | Very low | 36.3 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -145.2 | 117.7 | 175.5 | -76.6 | 178.3 | 0 | 0 | 0 | 112.6 | ||||
| 489 | Y | 31.5 | Very low | 36.1 | Very low | 229 Ų | 229 | 138.3 Ų | 138.3 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | 63.3 | 160.6 | 136.4 | -109.5 | -98.4 | 0 | 0 | 0 | 124.3 | ||||
| 490 | A | 35.8 | Very low | 35.5 | Very low | 77 Ų | 77 | 138 Ų | 138 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | 92.4 | 92.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 491 | S | 37 | Very low | 35.7 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | 5.7 | 149.4 | 130.2 | 55.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 492 | Y | 34.3 | Very low | 35.5 | Very low | 218 Ų | 218 | 142.1 Ų | 142.1 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | -169.9 | 171 | 123.8 | -98 | -62.5 | 0 | 0 | 0 | 113.7 | |||||
| 493 | T | 37.1 | Very low | 35.7 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | trans | -99.6 | 157.5 | -149.1 | 47.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 494 | S | 36.1 | Very low | 35.4 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 81.5 | 128.4 | 135.3 | -68 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 495 | Q | 33.4 | Very low | 35.4 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | 93.6 | 154.2 | 131 | -84.3 | -179.3 | -35.9 | 0 | 0 | 124.7 | ||||
| 496 | D | 33 | Very low | 35.6 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -91.2 | 167 | -168.2 | -139.6 | -59.4 | 0 | 0 | 0 | 111.8 | L498 | D496-L498 PolarHBondContact OD1-N 3.07Š| ||
| 497 | P | 47.8 | Very low | 36.2 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | -151.7 | 165.8 | 89.7 | 39.8 | -21.6 | 0 | 0 | 0 | 117.9 | |||||
| 498 | L | 39.6 | Very low | 36.3 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -65.2 | 159.2 | 171.7 | -60.9 | 88.8 | 0 | 0 | 0 | 114.6 | D496 | D496-L498 PolarHBondContact OD1-N 3.07Š| ||
| 499 | T | 32.2 | Very low | 36.1 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | -164.3 | 162.5 | 127.3 | -76.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 500 | S | 35.7 | Very low | 36.9 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -137.7 | 163.7 | -178.2 | -71.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 501 | Q | 33.7 | Very low | 37.7 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 111.1 | 132.7 | 152.4 | -61.6 | -158.8 | 20.4 | 0 | 0 | 121.1 | ||||
| 502 | Y | 30.4 | Very low | 37.9 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 91.4 | 106.2 | 135.9 | -95.9 | -125 | 0 | 0 | 0 | 124.1 | ||||
| 503 | M | 34.6 | Very low | 38.6 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | 86.2 | 135.7 | 129.6 | -71.8 | -65.2 | 171.9 | 0 | 0 | 124.1 | |||||
| 504 | A | 32.6 | Very low | 38.9 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | 52 | 118.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 505 | S | 35.1 | Very low | 39.4 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | -170.8 | 170 | 60.5 | 40.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 506 | Q | 38.6 | Very low | 39.7 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -102.9 | 168.3 | 174.2 | -96.8 | -151.1 | 51.3 | 0 | 0 | 110.3 | ||||
| 507 | P | 48.9 | Very low | 40 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | cis | -143.4 | -178.3 | 33.1 | 43.1 | -22.9 | 0 | 0 | 0 | 118.9 | ||||
| 508 | A | 34.8 | Very low | 39.6 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | trans | -47.1 | 154.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 509 | S | 36.4 | Very low | 39.6 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -151.3 | 149.5 | 136.1 | -81.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 510 | K | 47.5 | Very low | 40 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -97 | 155.8 | -178.5 | -79.5 | -177 | 178.5 | 178.9 | 0 | 111.5 | ||
| 511 | P | 52.7 | Low | 40.3 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72 | 157.7 | -174.3 | 29.5 | -36.5 | 0 | 0 | 0 | 114 | ||
| 512 | I | 42.3 | Very low | 40.8 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 144.7 | 173.9 | -65.2 | 165 | 0 | 0 | 0 | 110 | ||
| 513 | A | 48.6 | Very low | 41.6 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 78% | 0.777 | 84% | 0.843 | S | S | * | * | trans | -144.7 | 119.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 514 | L | 43.9 | Very low | 42.2 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 88% | 0.88 | 85% | 0.854 | S | S | * | * | trans | -176.3 | 83 | 157.6 | -109.5 | 174.2 | 0 | 0 | 0 | 111.2 | ||||
| 515 | L | 44.8 | Very low | 43.1 | Very low | 247 Ų | 247 | 147.9 Ų | 147.9 | 100% | 1.293 | 86% | 0.864 | S | S | * | * | trans | -173.6 | 0 | 139.8 | -106.5 | 159 | 0 | 0 | 0 | 109.6 |
Retrieved 515 of 515 residues in 587.5 ms
(Link to these results)