| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 55.1 | Low | 254 Ų | 254 | 117.5 Ų | 117.5 | 100% | 1.251 | 67% | 0.665 | S | S | * | * | 0 | 90.5 | 0 | -71.6 | 177 | 174.3 | 0 | 0 | 108.2 | |||||
| 2 | A | 48 | Very low | 55.6 | Low | 74 Ų | 74 | 121.4 Ų | 121.4 | 61% | 0.612 | 66% | 0.663 | S | S | * | * | trans | -127.7 | -162.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | N4 | A2-N4 VanDerWaalsContact C-N 3.33Å; A2-N4 PolarHBondContact O-N 3.49Å; A2-N4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | D | 55.6 | Low | 56 | Low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 68.3 | 10.5 | 156.8 | -41.5 | -37.8 | 0 | 0 | 0 | 118.8 | ||
| 4 | N | 57.9 | Low | 56.3 | Low | 142 Ų | 142 | 121.1 Ų | 121.1 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -120.2 | 15.4 | 173.4 | -151.5 | 10.8 | 0 | 0 | 0 | 115.1 | A2 | A2-N4 VanDerWaalsContact C-N 3.33Å; A2-N4 PolarHBondContact O-N 3.49Å; A2-N4 VanDerWaalsContact O-N 3.09Å |
| 5 | R | 53.8 | Low | 56.7 | Low | 226 Ų | 226 | 123.7 Ų | 123.7 | 85% | 0.853 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -103 | -33.2 | 170.6 | -74.9 | -175.8 | 174 | 176.2 | -1.8 | 112.9 | G8 L9 | R5-G8 PolarHBondContact O-N 3.48Å; R5-L9 PolarHBondContact O-N 2.86Å |
| 6 | T | 54.3 | Low | 56.9 | Low | 88 Ų | 88 | 119.6 Ų | 119.6 | 54% | 0.54 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.7 | -40.1 | -177.6 | -28.7 | 0 | 0 | 0 | 0 | 112.4 | G8 L9 I10 | T6-G8 VanDerWaalsContact C-N 3.31Å; T6-G8 PolarHBondContact O-N 3.1Å; T6-L9 PolarHBondContact O-N 3.26Å; T6-I10 WeakPolarHBondContact O-CG1 3.34Å; T6-I10 PolarHBondContact O-N 3.02Å; T6-I10 VanDerWaalsContact O-N 3.09Å |
| 7 | A | 54.4 | Low | 57 | Low | 60 Ų | 60 | 118.9 Ų | 118.9 | 50% | 0.496 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.9 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I10 G11 | A7-I10 PolarHBondContact O-N 2.87Å; A7-G11 PolarHBondContact O-N 2.92Å |
| 8 | G | 55 | Low | 56.9 | Low | 49 Ų | 49 | 115.9 Ų | 115.9 | 51% | 0.505 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.6 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R5 T6 Y12 | R5-G8 PolarHBondContact O-N 3.48Å; T6-G8 VanDerWaalsContact C-N 3.31Å; T6-G8 PolarHBondContact O-N 3.1Å; G8-Y12 WeakPolarHBondContact O-CB 3.23Å; G8-Y12 PolarHBondContact O-N 2.83Å |
| 9 | L | 56.2 | Low | 56.8 | Low | 113 Ų | 113 | 112.5 Ų | 112.5 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.5 | -41.1 | 175.8 | -86 | 163.3 | 0 | 0 | 0 | 112.6 | R5 T6 Y12 F13 | R5-L9 PolarHBondContact O-N 2.86Å; T6-L9 PolarHBondContact O-N 3.26Å; L9-Y12 PolarHBondContact O-N 2.87Å; L9-F13 PolarHBondContact O-N 2.81Å |
| 10 | I | 59 | Low | 56.5 | Low | 100 Ų | 100 | 112.6 Ų | 112.6 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.5 | -49.6 | 175.9 | -65.5 | 165.3 | 0 | 0 | 0 | 109.9 | T6 A7 Y12 F13 D14 | T6-I10 WeakPolarHBondContact O-CG1 3.34Å; T6-I10 PolarHBondContact O-N 3.02Å; T6-I10 VanDerWaalsContact O-N 3.09Å; A7-I10 PolarHBondContact O-N 2.87Å; I10-Y12 VanDerWaalsContact C-N 3.26Å; I10-Y12 PolarHBondContact O-N 2.86Å; I10-F13 WeakPolarHBondContact O-CA 3.37Å; I10-F13 WeakPolarHBondContact O-CB 3.5Å; I10-F13 PolarHBondContact O-N 2.58Å; I10-D14 PolarHBondContact O-N 3.28Å |
| 11 | G | 62.5 | Low | 56.2 | Low | 40 Ų | 40 | 110.6 Ų | 110.6 | 41% | 0.412 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.1 | -32.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A7 Y15 | A7-G11 PolarHBondContact O-N 2.92Å; G11-Y15 VanDerWaalsContact O-CB 3.22Å; G11-Y15 WeakPolarHBondContact O-CB 3.07Å; G11-Y15 PolarHBondContact O-N 3.21Å |
| 12 | Y | 61.9 | Low | 56.2 | Low | 165 Ų | 165 | 102.5 Ų | 102.5 | 65% | 0.647 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.3 | -37.4 | 173.2 | -134.5 | -89.4 | 0 | 0 | 0 | 112.2 | G8 L9 I10 Y15 C16 | G8-Y12 WeakPolarHBondContact O-CB 3.23Å; G8-Y12 PolarHBondContact O-N 2.83Å; L9-Y12 PolarHBondContact O-N 2.87Å; I10-Y12 VanDerWaalsContact C-N 3.26Å; I10-Y12 PolarHBondContact O-N 2.86Å; Y12-Y15 PolarHBondContact O-N 2.95Å; Y12-C16 WeakPolarHBondContact O-CB 3.44Å; Y12-C16 PolarHBondContact O-N 3.33Å; Y12-C16 PolarHBondContact O-SG 2.65Å; Y12-C16 VanDerWaalsContact O-SG 3.39Å |
| 13 | F | 60.7 | Low | 56.4 | Low | 143 Ų | 143 | 104.2 Ų | 104.2 | 63% | 0.627 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.9 | -44.8 | 173.8 | -104.1 | -86.5 | 0 | 0 | 0 | 112.1 | L9 I10 C16 L17 | L9-F13 PolarHBondContact O-N 2.81Å; I10-F13 WeakPolarHBondContact O-CA 3.37Å; I10-F13 WeakPolarHBondContact O-CB 3.5Å; I10-F13 PolarHBondContact O-N 2.58Å; F13-C16 CarbonylContact O-C 3.55Å; F13-C16 PolarHBondContact O-N 3.17Å; F13-L17 WeakPolarHBondContact O-CB 3.38Å; F13-L17 PolarHBondContact O-N 3.25Å |
| 14 | D | 60 | Low | 56.4 | Low | 96 Ų | 96 | 102 Ų | 102 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 175.1 | -73.6 | -37.9 | 0 | 0 | 0 | 111.7 | I10 L17 S18 | I10-D14 PolarHBondContact O-N 3.28Å; D14-L17 PolarHBondContact O-N 3.46Å; D14-S18 VanDerWaalsContact O-CB 3.23Å; D14-S18 WeakPolarHBondContact O-CB 3.21Å; D14-S18 PolarHBondContact O-N 3.06Å |
| 15 | Y | 61.9 | Low | 56.2 | Low | 159 Ų | 159 | 105.1 Ų | 105.1 | 62% | 0.624 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | 172.6 | -173.4 | -97.2 | 0 | 0 | 0 | 111.9 | G11 Y12 S18 T19 | G11-Y15 VanDerWaalsContact O-CB 3.22Å; G11-Y15 WeakPolarHBondContact O-CB 3.07Å; G11-Y15 PolarHBondContact O-N 3.21Å; Y12-Y15 PolarHBondContact O-N 2.95Å; Y15-S18 PolarHBondContact O-N 3.29Å; Y15-T19 VanDerWaalsContact O-CB 3.3Å; Y15-T19 WeakPolarHBondContact O-CB 3.44Å; Y15-T19 PolarHBondContact O-N 3.29Å; Y15-T19 PolarHBondContact O-OG1 3.3Å |
| 16 | C | 59.8 | Low | 56.9 | Low | 59 Ų | 59 | 99.3 Ų | 99.3 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 173.2 | -79.4 | 0 | 0 | 0 | 0 | 112 | Y12 F13 T19 M20 | Y12-C16 WeakPolarHBondContact O-CB 3.44Å; Y12-C16 PolarHBondContact O-N 3.33Å; Y12-C16 PolarHBondContact O-SG 2.65Å; Y12-C16 VanDerWaalsContact O-SG 3.39Å; F13-C16 CarbonylContact O-C 3.55Å; F13-C16 PolarHBondContact O-N 3.17Å; C16-T19 PolarHBondContact O-N 2.69Å; C16-M20 WeakPolarHBondContact O-CB 3.47Å; C16-M20 WeakPolarHBondContact O-CG 3.47Å; C16-M20 PolarHBondContact O-N 2.8Å |
| 17 | L | 59.6 | Low | 58.2 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -37.1 | 175.1 | -87 | 156.3 | 0 | 0 | 0 | 112.3 | F13 D14 M20 S21 | F13-L17 WeakPolarHBondContact O-CB 3.38Å; F13-L17 PolarHBondContact O-N 3.25Å; D14-L17 PolarHBondContact O-N 3.46Å; L17-M20 PolarHBondContact O-N 3.04Å; L17-S21 WeakPolarHBondContact O-CB 3.37Å; L17-S21 PolarHBondContact O-N 3.34Å; L17-S21 PolarHBondContact O-OG 3.09Å |
| 18 | S | 55.1 | Low | 59.9 | Low | 64 Ų | 64 | 104 Ų | 104 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 173.1 | -171 | 0 | 0 | 0 | 0 | 112.6 | D14 Y15 S21 T22 | D14-S18 VanDerWaalsContact O-CB 3.23Å; D14-S18 WeakPolarHBondContact O-CB 3.21Å; D14-S18 PolarHBondContact O-N 3.06Å; Y15-S18 PolarHBondContact O-N 3.29Å; S18-S21 WeakPolarHBondContact CA-OG 3.49Å; S18-S21 PolarHBondContact O-N 3.16Å; S18-S21 PolarHBondContact O-OG 2.86Å; S18-S21 VanDerWaalsContact O-OG 3.05Å; S18-T22 PolarHBondContact O-N 3.41Å; S18-T22 PolarHBondContact O-OG1 2.86Å |
| 19 | T | 54.5 | Low | 61.8 | Low | 51 Ų | 51 | 101.7 Ų | 101.7 | 31% | 0.313 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 172.9 | -55 | 0 | 0 | 0 | 0 | 110.6 | Y15 C16 T22 I23 | Y15-T19 VanDerWaalsContact O-CB 3.3Å; Y15-T19 WeakPolarHBondContact O-CB 3.44Å; Y15-T19 PolarHBondContact O-N 3.29Å; Y15-T19 PolarHBondContact O-OG1 3.3Å; C16-T19 PolarHBondContact O-N 2.69Å; T19-T22 WeakPolarHBondContact CA-OG1 3.44Å; T19-T22 PolarHBondContact O-N 3.26Å; T19-T22 PolarHBondContact O-OG1 3.2Å; T19-T22 VanDerWaalsContact O-OG1 3.07Å; T19-I23 HydrophobicContact CG2-CD1 4.17Å; T19-I23 WeakPolarHBondContact O-CB 3.49Å; T19-I23 WeakPolarHBondContact O-CD1 3.28Å; T19-I23 VanDerWaalsContact O-CG1 3.24Å; T19-I23 WeakPolarHBondContact O-CG1 3.22Å; T19-I23 PolarHBondContact O-N 2.87Å |
| 20 | M | 52 | Low | 63.6 | Low | 115 Ų | 115 | 100 Ų | 100 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.1 | -40.7 | 172.7 | -71.4 | -66.4 | 176 | 0 | 0 | 111.7 | C16 L17 T22 I23 L24 | C16-M20 WeakPolarHBondContact O-CB 3.47Å; C16-M20 WeakPolarHBondContact O-CG 3.47Å; C16-M20 PolarHBondContact O-N 2.8Å; L17-M20 PolarHBondContact O-N 3.04Å; M20-T22 VanDerWaalsContact C-N 3.26Å; M20-T22 PolarHBondContact O-N 3.48Å; M20-I23 CarbonylContact O-C 3.52Å; M20-I23 WeakPolarHBondContact O-CA 3.45Å; M20-I23 WeakPolarHBondContact O-CB 3.38Å; M20-I23 PolarHBondContact O-N 2.93Å; M20-I23 VanDerWaalsContact O-N 3.13Å; M20-I23 HydrophobicContact SD-CD1 4.09Å; M20-L24 WeakPolarHBondContact O-CB 3.39Å; M20-L24 VanDerWaalsContact O-CG 3.29Å; M20-L24 WeakPolarHBondContact O-CG 3.31Å; M20-L24 PolarHBondContact O-N 3.48Å |
| 21 | S | 49.9 | Very low | 65.4 | Low | 71 Ų | 71 | 95.2 Ų | 95.2 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.1 | -24 | 176.1 | 77.2 | 0 | 0 | 0 | 0 | 113.3 | L17 S18 | L17-S21 WeakPolarHBondContact O-CB 3.37Å; L17-S21 PolarHBondContact O-N 3.34Å; L17-S21 PolarHBondContact O-OG 3.09Å; S18-S21 WeakPolarHBondContact CA-OG 3.49Å; S18-S21 PolarHBondContact O-N 3.16Å; S18-S21 PolarHBondContact O-OG 2.86Å; S18-S21 VanDerWaalsContact O-OG 3.05Å |
| 22 | T | 48 | Very low | 67.1 | Low | 84 Ų | 84 | 95.2 Ų | 95.2 | 52% | 0.515 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -88.6 | -18 | 170.2 | 51.3 | 0 | 0 | 0 | 0 | 114 | S18 T19 M20 R25 | S18-T22 PolarHBondContact O-N 3.41Å; S18-T22 PolarHBondContact O-OG1 2.86Å; T19-T22 WeakPolarHBondContact CA-OG1 3.44Å; T19-T22 PolarHBondContact O-N 3.26Å; T19-T22 PolarHBondContact O-OG1 3.2Å; T19-T22 VanDerWaalsContact O-OG1 3.07Å; M20-T22 VanDerWaalsContact C-N 3.26Å; M20-T22 PolarHBondContact O-N 3.48Å; T22-R25 WeakPolarHBondContact O-CG 3.46Å |
| 23 | I | 53.3 | Low | 68.8 | Low | 110 Ų | 110 | 87.4 Ų | 87.4 | 56% | 0.564 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -73.6 | -30.6 | 162.3 | -73.3 | 162.7 | 0 | 0 | 0 | 111.1 | T19 M20 R25 | T19-I23 HydrophobicContact CG2-CD1 4.17Å; T19-I23 WeakPolarHBondContact O-CB 3.49Å; T19-I23 WeakPolarHBondContact O-CD1 3.28Å; T19-I23 VanDerWaalsContact O-CG1 3.24Å; T19-I23 WeakPolarHBondContact O-CG1 3.22Å; T19-I23 PolarHBondContact O-N 2.87Å; M20-I23 CarbonylContact O-C 3.52Å; M20-I23 WeakPolarHBondContact O-CA 3.45Å; M20-I23 WeakPolarHBondContact O-CB 3.38Å; M20-I23 PolarHBondContact O-N 2.93Å; M20-I23 VanDerWaalsContact O-N 3.13Å; M20-I23 HydrophobicContact SD-CD1 4.09Å; I23-R25 PolarHBondContact O-N 3.41Å |
| 24 | L | 53.8 | Low | 70.5 | Confident | 100 Ų | 100 | 82 Ų | 82 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | trans | -68.2 | 30.5 | 173.5 | -74.6 | 174.6 | 0 | 0 | 0 | 114.1 | M20 K26 V92 | M20-L24 WeakPolarHBondContact O-CB 3.39Å; M20-L24 VanDerWaalsContact O-CG 3.29Å; M20-L24 WeakPolarHBondContact O-CG 3.31Å; M20-L24 PolarHBondContact O-N 3.48Å; L24-K26 PolarHBondContact O-N 3.38Å; L24-V92 HydrophobicContact CB-CG1 3.66Å; L24-V92 HydrophobicContact CD1-CG1 4.32Å; L24-V92 HydrophobicContact CD2-CG1 3.73Å; L24-V92 HydrophobicContact CG-CG1 4.09Å; L24-V92 WeakPolarHBondContact O-CG1 3.49Å; L24-V92 WeakPolarHBondContact O-CG2 3.47Å | ||
| 25 | R | 55.4 | Low | 72.3 | Confident | 207 Ų | 207 | 77.4 Ų | 77.4 | 78% | 0.781 | 38% | 0.377 | S | S | * | . | trans | -55 | 135.2 | 161.1 | -76.3 | 169.1 | 179.4 | 179.5 | 0.3 | 109.3 | T22 I23 K27 | T22-R25 WeakPolarHBondContact O-CG 3.46Å; I23-R25 PolarHBondContact O-N 3.41Å; R25-K27 PolarHBondContact O-N 3.37Å | ||
| 26 | K | 66.9 | Low | 74 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 45% | 0.452 | 36% | 0.361 | S | S | . | . | trans | -52.4 | 101.8 | -179.4 | -157.9 | 179.5 | -166.6 | 171.7 | 0 | 111.2 | L24 R28 S90 V92 E98 | L24-K26 PolarHBondContact O-N 3.38Å; K26-R28 WeakPolarHBondContact O-CG 3.47Å; K26-R28 PolarHBondContact O-N 3.23Å; K26-S90 VanDerWaalsContact CE-O 3.32Å; K26-S90 WeakPolarHBondContact CE-O 3.45Å; K26-S90 WeakPolarHBondContact CG-O 3.32Å; K26-V92 HydrophobicContact CB-CG2 4.2Å; K26-V92 HydrophobicContact CG-CG2 4.24Å; K26-E98 WeakPolarHBondContact CE-OE1 3.3Å; K26-E98 IonicContact NZ-OE1 2.66Å; K26-E98 PolarHBondContact NZ-OE1 3.48Å | ||
| 27 | K | 83.2 | Confident | 75.9 | Confident | 105 Ų | 105 | 69.7 Ų | 69.7 | 46% | 0.457 | 34% | 0.342 | S | S | . | . | trans | -55 | 128.5 | 178.5 | -77.3 | -168.8 | 178.5 | -177.6 | 0 | 108.8 | R25 F29 S89 S90 D170 | R25-K27 PolarHBondContact O-N 3.37Å; K27-F29 HydrophobicContact CB-CD2 4.5Å; K27-F29 HydrophobicContact CB-CE2 3.5Å; K27-F29 HydrophobicContact CB-CZ 3.65Å; K27-F29 HydrophobicContact CD-CZ 3.91Å; K27-F29 HydrophobicContact CG-CZ 4.44Å; K27-F29 WeakPolarHBondContact O-CE2 3.37Å; K27-S89 CarbonylContact O-C 3.58Å; K27-S89 WeakPolarHBondContact O-CA 3.5Å; K27-S90 PolarHBondContact O-N 3.03Å; K27-D170 IonicContact NZ-OD2 3.4Å; K27-D170 PolarHBondContact NZ-OD2 3.24Å | ||
| 28 | R | 89.3 | Confident | 77.7 | Confident | 140 Ų | 140 | 65.5 Ų | 65.5 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.5 | 176.2 | -54.4 | -168 | 74.1 | 165.3 | 3.5 | 109 | K26 I88 S89 S169 | K26-R28 WeakPolarHBondContact O-CG 3.47Å; K26-R28 PolarHBondContact O-N 3.23Å; R28-I88 CarbonylContact C-O 3.52Å; R28-I88 WeakPolarHBondContact CA-O 3.45Å; R28-S89 PolarHBondContact NE-OG 3.39Å; R28-S169 WeakPolarHBondContact O-CB 3.39Å; R28-S169 PolarHBondContact O-OG 3.25Å |
| 29 | F | 94.2 | Very high | 79.7 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.4 | -173.7 | -56 | -101.1 | 0 | 0 | 0 | 107.4 | K27 F31 R87 I88 L97 L166 D170 F173 | K27-F29 HydrophobicContact CB-CD2 4.5Å; K27-F29 HydrophobicContact CB-CE2 3.5Å; K27-F29 HydrophobicContact CB-CZ 3.65Å; K27-F29 HydrophobicContact CD-CZ 3.91Å; K27-F29 HydrophobicContact CG-CZ 4.44Å; K27-F29 WeakPolarHBondContact O-CE2 3.37Å; F29-F31 HydrophobicContact CB-CD2 4.25Å; F29-F31 HydrophobicContact CB-CE2 3.5Å; F29-F31 VanDerWaalsContact CB-CE2 3.5Å; F29-F31 HydrophobicContact CB-CZ 3.89Å; F29-F31 HydrophobicContact CG-CE2 4.49Å; F29-R87 CarbonylContact O-C 3.56Å; F29-R87 VanDerWaalsContact O-CA 3.3Å; F29-R87 WeakPolarHBondContact O-CA 3.4Å; F29-I88 PolarHBondContact N-O 3.29Å; F29-I88 PolarHBondContact O-N 3.41Å; F29-L97 HydrophobicContact CD2-CD2 3.56Å; F29-L97 HydrophobicContact CE2-CD2 3.83Å; F29-L97 HydrophobicContact CG-CD2 4.12Å; F29-L166 HydrophobicContact CB-CD1 3.99Å; F29-L166 HydrophobicContact CD1-CD1 4.3Å; F29-D170 WeakPolarHBondContact CE1-O 3.12Å; F29-F173 HydrophobicContact CD1-CB 4.35Å; F29-F173 AromaticContact CD1-CD1 3.74Å; F29-F173 HydrophobicContact CD1-CD1 3.74Å; F29-F173 HydrophobicContact CD1-CG 4.37Å; F29-F173 HydrophobicContact CE1-CB 3.76Å; F29-F173 AromaticContact CE1-CD1 3.77Å; F29-F173 HydrophobicContact CE1-CD1 3.77Å; F29-F173 HydrophobicContact CE1-CG 4.19Å; F29-F173 HydrophobicContact CE2-CB 4.45Å; F29-F173 HydrophobicContact CZ-CB 3.82Å |
| 30 | K | 95.7 | Very high | 81.7 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 34% | 0.335 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.3 | 179.3 | -175.5 | -166.4 | 172.9 | -163.6 | 0 | 107.5 | V85 C86 L167 S168 | K30-V85 HydrophobicContact CD-CG1 4.34Å; K30-V85 HydrophobicContact CG-CG1 3.7Å; K30-C86 WeakPolarHBondContact CA-O 3.43Å; K30-L167 HydrophobicContact CB-CB 4.42Å; K30-L167 HydrophobicContact CD-CB 3.94Å; K30-L167 HydrophobicContact CD-CD1 4.27Å; K30-L167 HydrophobicContact CG-CB 4.11Å; K30-L167 HydrophobicContact CG-CD1 4.32Å; K30-L167 WeakPolarHBondContact O-CA 3.41Å; K30-L167 WeakPolarHBondContact O-CB 3.34Å; K30-L167 PolarHBondContact O-N 3.35Å; K30-S168 WeakPolarHBondContact CB-OG 3.5Å; K30-S168 PolarHBondContact N-O 3.34Å; K30-S168 PolarHBondContact O-N 3.04Å |
| 31 | F | 96.5 | Very high | 83.8 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.6 | 175.9 | -62.4 | -84.9 | 0 | 0 | 0 | 110.4 | F29 V85 C86 I88 L97 A130 M164 V165 L166 F173 | F29-F31 HydrophobicContact CB-CD2 4.25Å; F29-F31 HydrophobicContact CB-CE2 3.5Å; F29-F31 VanDerWaalsContact CB-CE2 3.5Å; F29-F31 HydrophobicContact CB-CZ 3.89Å; F29-F31 HydrophobicContact CG-CE2 4.49Å; F31-V85 VanDerWaalsContact O-CA 3.3Å; F31-V85 WeakPolarHBondContact O-CA 3.46Å; F31-V85 WeakPolarHBondContact O-CG1 3.47Å; F31-C86 PolarHBondContact N-O 3.07Å; F31-C86 PolarHBondContact O-N 2.84Å; F31-I88 HydrophobicContact CD2-CB 4.35Å; F31-I88 HydrophobicContact CD2-CD1 4.02Å; F31-I88 HydrophobicContact CD2-CG1 3.99Å; F31-I88 HydrophobicContact CE2-CB 4.15Å; F31-I88 HydrophobicContact CE2-CD1 4.15Å; F31-I88 HydrophobicContact CE2-CG1 4.2Å; F31-L97 HydrophobicContact CE2-CD1 4.14Å; F31-L97 HydrophobicContact CZ-CD1 4.1Å; F31-A130 HydrophobicContact CE1-CB 3.88Å; F31-A130 HydrophobicContact CE2-CB 4.1Å; F31-A130 HydrophobicContact CZ-CB 3.61Å; F31-M164 HydrophobicContact CB-CE 3.56Å; F31-M164 HydrophobicContact CD1-CE 3.98Å; F31-M164 HydrophobicContact CD2-CE 3.79Å; F31-M164 HydrophobicContact CE2-CE 4.47Å; F31-M164 HydrophobicContact CG-CE 3.51Å; F31-V165 CarbonylContact C-O 3.53Å; F31-V165 WeakPolarHBondContact CA-O 3.13Å; F31-L166 HydrophobicContact CD1-CB 4.18Å; F31-L166 HydrophobicContact CD1-CD1 3.97Å; F31-L166 HydrophobicContact CE1-CB 4.04Å; F31-L166 HydrophobicContact CE1-CD1 3.56Å; F31-L166 HydrophobicContact CE1-CG 4.39Å; F31-L166 HydrophobicContact CE2-CD1 4.41Å; F31-L166 HydrophobicContact CZ-CD1 3.81Å; F31-F173 HydrophobicContact CE1-CE1 4.01Å; F31-F173 AromaticContact CE1-CZ 3.84Å; F31-F173 HydrophobicContact CE1-CZ 3.84Å; F31-F173 HydrophobicContact CZ-CD1 4.37Å; F31-F173 AromaticContact CZ-CE1 3.8Å; F31-F173 HydrophobicContact CZ-CE1 3.8Å; F31-F173 HydrophobicContact CZ-CE2 4.28Å; F31-F173 AromaticContact CZ-CZ 3.75Å; F31-F173 HydrophobicContact CZ-CZ 3.75Å |
| 32 | Q | 96.7 | Very high | 85.9 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 139 | 152.3 | -168.4 | -179.9 | -95.1 | 0 | 0 | 107.2 | D34 R83 M164 V165 L167 | Q32-D34 PolarHBondContact NE2-OD2 3.13Å; Q32-R83 VanDerWaalsContact CD-CZ 3.4Å; Q32-R83 VanDerWaalsContact CD-NE 3.35Å; Q32-R83 VanDerWaalsContact CD-NH2 3.26Å; Q32-R83 HydrophobicContact CG-CG 4.4Å; Q32-R83 VanDerWaalsContact OE1-CZ 3.31Å; Q32-M164 WeakPolarHBondContact O-CA 3.4Å; Q32-V165 PolarHBondContact N-O 2.93Å; Q32-V165 PolarHBondContact O-N 2.75Å; Q32-L167 HydrophobicContact CB-CD1 3.9Å; Q32-L167 HydrophobicContact CB-CD2 4.14Å; Q32-L167 HydrophobicContact CB-CG 3.96Å |
| 33 | V | 97.6 | Very high | 88 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.8 | 174.1 | -172 | 0 | 0 | 0 | 0 | 107.4 | M35 R83 F84 C86 L126 V162 M164 | V33-M35 HydrophobicContact CG1-CB 4.42Å; V33-R83 CarbonylContact O-C 3.54Å; V33-R83 WeakPolarHBondContact O-CA 3.35Å; V33-F84 HydrophobicContact CB-CD1 4.34Å; V33-F84 HydrophobicContact CB-CD2 4.06Å; V33-F84 HydrophobicContact CB-CE1 4.07Å; V33-F84 HydrophobicContact CB-CE2 3.77Å; V33-F84 HydrophobicContact CB-CG 4.34Å; V33-F84 HydrophobicContact CB-CZ 3.78Å; V33-F84 HydrophobicContact CG1-CE1 3.88Å; V33-F84 HydrophobicContact CG1-CE2 4.04Å; V33-F84 HydrophobicContact CG1-CZ 3.57Å; V33-F84 HydrophobicContact CG2-CD2 4.23Å; V33-F84 HydrophobicContact CG2-CE2 3.84Å; V33-F84 HydrophobicContact CG2-CZ 4.25Å; V33-F84 PolarHBondContact N-O 3.07Å; V33-F84 PolarHBondContact O-N 3.13Å; V33-C86 HydrophobicContact CG2-CB 4.26Å; V33-C86 VanDerWaalsContact CG2-SG 3.5Å; V33-L126 HydrophobicContact CG1-CD2 4.14Å; V33-L126 HydrophobicContact CG2-CD1 4.39Å; V33-V162 HydrophobicContact CG1-CG1 3.55Å; V33-M164 HydrophobicContact CB-CG 4.42Å; V33-M164 HydrophobicContact CG1-CG 4.16Å; V33-M164 HydrophobicContact CG2-CE 4.17Å; V33-M164 HydrophobicContact CG2-CG 4.11Å; V33-M164 HydrophobicContact CG2-SD 4.21Å |
| 34 | D | 97.5 | Very high | 89.8 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 101.7 | 168.7 | -73.4 | -88.8 | 0 | 0 | 0 | 106.8 | Q32 R83 S163 | Q32-D34 PolarHBondContact NE2-OD2 3.13Å; D34-R83 WeakPolarHBondContact OD1-CB 3.31Å; D34-R83 WeakPolarHBondContact OD1-CD 3.28Å; D34-R83 WeakPolarHBondContact OD1-CG 3.12Å; D34-R83 IonicContact OD1-CZ 2.66Å; D34-R83 IonicContact OD1-NE 3.46Å; D34-R83 IonicContact OD1-NH1 2.74Å; D34-R83 PolarHBondContact OD1-NH1 3.03Å; D34-R83 IonicContact OD2-CZ 2.75Å; D34-R83 IonicContact OD2-NE 3.42Å; D34-R83 IonicContact OD2-NH1 3.17Å; D34-R83 PolarHBondContact OD2-NH1 3.26Å; D34-S163 PolarHBondContact N-O 3.03Å; D34-S163 PolarHBondContact O-N 3.19Å |
| 35 | M | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.9 | -176.8 | 174.8 | 178.5 | -77 | 0 | 0 | 110.4 | V33 I54 V81 S82 F84 C102 I104 V124 L126 V160 V162 | V33-M35 HydrophobicContact CG1-CB 4.42Å; M35-I54 HydrophobicContact SD-CG2 4.03Å; M35-V81 CarbonylContact O-C 3.56Å; M35-V81 WeakPolarHBondContact O-CA 3.17Å; M35-S82 PolarHBondContact N-O 3.1Å; M35-S82 PolarHBondContact O-N 2.94Å; M35-F84 HydrophobicContact CB-CE1 4.16Å; M35-C102 HydrophobicContact CE-CB 4.16Å; M35-I104 HydrophobicContact SD-CD1 4.33Å; M35-V124 HydrophobicContact CE-CB 4.39Å; M35-V124 HydrophobicContact CE-CG1 4.17Å; M35-L126 HydrophobicContact CE-CD2 3.8Å; M35-V160 HydrophobicContact CE-CG1 4.35Å; M35-V160 HydrophobicContact CG-CG1 3.73Å; M35-V160 HydrophobicContact SD-CG1 4.23Å; M35-V162 HydrophobicContact CE-CG2 3.89Å; M35-V162 HydrophobicContact CG-CG2 4.33Å |
| 36 | L | 98.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.293 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.6 | 168.6 | 169.7 | 59.3 | 0 | 0 | 0 | 109.7 | A38 K80 V81 V160 N161 | L36-A38 HydrophobicContact CG-CB 4.25Å; L36-A38 PolarHBondContact O-N 3.44Å; L36-K80 WeakPolarHBondContact CA-O 3.34Å; L36-V81 HydrophobicContact CB-CG2 4.45Å; L36-V81 HydrophobicContact CD1-CG2 4.01Å; L36-V160 CarbonylContact O-C 3.59Å; L36-V160 VanDerWaalsContact O-CA 3.3Å; L36-V160 WeakPolarHBondContact O-CA 3.22Å; L36-V160 WeakPolarHBondContact O-CG1 3.41Å; L36-N161 HydrophobicContact CB-CB 4.31Å; L36-N161 PolarHBondContact N-O 3Å; L36-N161 PolarHBondContact O-N 2.98Å |
| 37 | L | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 96.8 | 162.1 | 174.1 | 51.2 | 0 | 0 | 0 | 108.2 | I54 T66 W78 G79 K80 I104 I158 V160 | L37-I54 HydrophobicContact CB-CD1 4.2Å; L37-I54 HydrophobicContact CD2-CD1 4.09Å; L37-I54 HydrophobicContact CD2-CG1 4.19Å; L37-T66 HydrophobicContact CD2-CG2 3.62Å; L37-T66 HydrophobicContact CG-CG2 4.33Å; L37-W78 HydrophobicContact CD1-CE3 4.03Å; L37-W78 HydrophobicContact CD1-CZ3 4.12Å; L37-W78 HydrophobicContact CD2-CE3 4.23Å; L37-W78 HydrophobicContact CG-CE3 3.92Å; L37-W78 HydrophobicContact CG-CZ3 4.41Å; L37-G79 PolarHBondContact O-N 3.02Å; L37-K80 PolarHBondContact N-O 3.39Å; L37-K80 PolarHBondContact O-N 2.79Å; L37-I104 HydrophobicContact CD1-CD1 4.43Å; L37-I104 HydrophobicContact CD2-CG2 3.82Å; L37-I158 HydrophobicContact CD1-CG2 3.42Å; L37-I158 VanDerWaalsContact CD1-CG2 3.42Å; L37-V160 HydrophobicContact CD1-CG2 4.32Å |
| 38 | A | 97.5 | Very high | 94.1 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -66.2 | -172 | 0 | 0 | 0 | 0 | 0 | 111.4 | L36 W78 G79 R159 | L36-A38 HydrophobicContact CG-CB 4.25Å; L36-A38 PolarHBondContact O-N 3.44Å; A38-W78 PolarHBondContact O-N 2.74Å; A38-G79 PolarHBondContact O-N 2.75Å; A38-R159 PolarHBondContact N-O 2.97Å; A38-R159 VanDerWaalsContact N-O 3.17Å |
| 39 | D | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 170.3 | -167.1 | 63.7 | -46.3 | 0 | 0 | 0 | 113.7 | H75 I76 Y77 R159 | D39-H75 IonicContact OD2-CE1 3.52Å; D39-H75 PolarHBondContact OD2-CE1 3Å; D39-H75 VanDerWaalsContact OD2-CE1 3.31Å; D39-H75 IonicContact OD2-NE2 3.52Å; D39-H75 PolarHBondContact OD2-NE2 3.42Å; D39-I76 CarbonylContact C-O 3.43Å; D39-I76 WeakPolarHBondContact CA-O 3.5Å; D39-I76 VanDerWaalsContact CB-O 3.3Å; D39-I76 WeakPolarHBondContact CB-O 3.45Å; D39-Y77 HydrophobicContact CB-CD1 3.74Å; D39-Y77 HydrophobicContact CB-CE1 4.16Å; D39-Y77 HydrophobicContact CB-CG 4.34Å; D39-R159 VanDerWaalsContact CG-NH2 3.25Å; D39-R159 PolarHBondContact O-N 2.7Å; D39-R159 WeakPolarHBondContact OD1-CB 3.3Å; D39-R159 IonicContact OD1-CZ 2.64Å; D39-R159 IonicContact OD1-NE 3.45Å; D39-R159 PolarHBondContact OD1-NE 2.73Å; D39-R159 IonicContact OD1-NH2 2.75Å; D39-R159 PolarHBondContact OD1-NH2 3.39Å; D39-R159 IonicContact OD2-CZ 3.32Å; D39-R159 IonicContact OD2-NE 3.83Å; D39-R159 IonicContact OD2-NH2 3.61Å; D39-R159 PolarHBondContact OD2-NH2 3.09Å |
| 40 | M | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 127.5 | 172.8 | 179.6 | 177.9 | 71.9 | 0 | 0 | 112 | V43 L50 H75 I76 W78 V106 L143 L157 I158 | M40-V43 HydrophobicContact CE-CB 4.49Å; M40-V43 HydrophobicContact CE-CG1 4.17Å; M40-V43 HydrophobicContact CE-CG2 3.51Å; M40-V43 HydrophobicContact CG-CG2 3.98Å; M40-V43 HydrophobicContact SD-CG2 4.43Å; M40-L50 HydrophobicContact CE-CD1 3.51Å; M40-H75 WeakPolarHBondContact O-CA 3.48Å; M40-I76 HydrophobicContact CB-CG2 3.81Å; M40-I76 HydrophobicContact CE-CG2 3.88Å; M40-I76 PolarHBondContact N-O 3.09Å; M40-I76 PolarHBondContact O-N 3.2Å; M40-W78 HydrophobicContact CB-CH2 3.8Å; M40-W78 HydrophobicContact CB-CZ3 3.67Å; M40-W78 HydrophobicContact CE-CH2 3.94Å; M40-W78 HydrophobicContact SD-CH2 4.17Å; M40-V106 HydrophobicContact CE-CG1 3.98Å; M40-V106 HydrophobicContact SD-CG1 4.31Å; M40-V106 HydrophobicContact SD-CG2 4.14Å; M40-L143 HydrophobicContact SD-CD2 3.97Å; M40-L157 CarbonylContact C-O 3.59Å; M40-L157 WeakPolarHBondContact CA-O 3.25Å; M40-I158 HydrophobicContact CB-CG1 4.16Å; M40-I158 HydrophobicContact CG-CG1 3.84Å; M40-I158 HydrophobicContact SD-CD1 4.17Å; M40-I158 HydrophobicContact SD-CG1 3.77Å |
| 41 | C | 95.2 | Very high | 94.6 | Very high | 37 Ų | 37 | 35 Ų | 35 | 25% | 0.25 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 171.1 | 179.4 | -49.7 | 0 | 0 | 0 | 0 | 111.8 | V43 H74 H75 S156 L157 | C41-V43 VanDerWaalsContact C-N 3.28Å; C41-V43 PolarHBondContact O-N 3.43Å; C41-H74 CarbonylContact C-O 3.57Å; C41-H75 PolarHBondContact SG-CD2 3Å; C41-S156 CarbonylContact O-C 3.58Å; C41-S156 VanDerWaalsContact O-CA 3.24Å; C41-S156 WeakPolarHBondContact O-CA 3.2Å; C41-L157 HydrophobicContact CB-CB 4.39Å; C41-L157 PolarHBondContact N-O 3.39Å; C41-L157 PolarHBondContact O-N 3.4Å |
| 42 | N | 94.7 | Very high | 94.7 | Very high | 95 Ų | 95 | 35 Ų | 35 | 51% | 0.508 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 59.7 | 30.8 | 173.5 | -58.2 | -12.3 | 0 | 0 | 0 | 114.7 | P44 H74 N155 | N42-P44 WeakPolarHBondContact O-CD 3.48Å; N42-H74 PolarHBondContact N-O 3.26Å; N42-H74 VanDerWaalsContact N-O 3.09Å; N42-N155 WeakPolarHBondContact CB-O 3.29Å; N42-N155 PolarHBondContact ND2-O 2.95Å |
| 43 | V | 93.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | trans | -74 | 119.5 | -173.6 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | M40 C41 F45 L50 V71 H74 I76 | M40-V43 HydrophobicContact CE-CB 4.49Å; M40-V43 HydrophobicContact CE-CG1 4.17Å; M40-V43 HydrophobicContact CE-CG2 3.51Å; M40-V43 HydrophobicContact CG-CG2 3.98Å; M40-V43 HydrophobicContact SD-CG2 4.43Å; C41-V43 VanDerWaalsContact C-N 3.28Å; C41-V43 PolarHBondContact O-N 3.43Å; V43-F45 HydrophobicContact CG1-CB 4.39Å; V43-F45 HydrophobicContact CG1-CD2 4Å; V43-F45 PolarHBondContact O-N 3.03Å; V43-L50 HydrophobicContact CG1-CD1 3.83Å; V43-V71 HydrophobicContact CB-CG1 3.88Å; V43-V71 HydrophobicContact CB-CG2 4.49Å; V43-V71 HydrophobicContact CG1-CG1 3.93Å; V43-V71 HydrophobicContact CG1-CG2 3.82Å; V43-V71 HydrophobicContact CG2-CG1 4.49Å; V43-H74 PolarHBondContact N-O 3.02Å; V43-H74 PolarHBondContact O-ND1 2.96Å; V43-I76 HydrophobicContact CG2-CG2 4.27Å | ||
| 44 | P | 89.6 | Confident | 94.8 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 41% | 0.409 | 19% | 0.194 | S | C | . | . | trans | -79.7 | 20.2 | -173.1 | 33.5 | -37.2 | 0 | 0 | 0 | 114 | N42 D154 | N42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-D154 HydrophobicContact CG-CB 4.2Å | ||
| 45 | F | 86.6 | Confident | 94.8 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 23% | 0.228 | 21% | 0.211 | C | C | . | . | trans | -127.1 | 120.1 | -175.6 | -54.4 | -68.3 | 0 | 0 | 0 | 111 | V43 A48 V71 L119 | V43-F45 HydrophobicContact CG1-CB 4.39Å; V43-F45 HydrophobicContact CG1-CD2 4Å; V43-F45 PolarHBondContact O-N 3.03Å; F45-A48 HydrophobicContact CB-CB 3.76Å; F45-V71 VanDerWaalsContact O-CG1 3.23Å; F45-V71 WeakPolarHBondContact O-CG1 3.46Å; F45-L119 HydrophobicContact CD2-CD1 4.01Å; F45-L119 HydrophobicContact CE2-CD1 3.62Å; F45-L119 HydrophobicContact CE2-CD2 3.66Å; F45-L119 HydrophobicContact CE2-CG 4.24Å; F45-L119 HydrophobicContact CZ-CD2 3.78Å | ||
| 46 | V | 84.2 | Confident | 94.9 | Very high | 104 Ų | 104 | 40.4 Ų | 40.4 | 63% | 0.63 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -84.5 | 150 | 165.9 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | A48 | V46-A48 PolarHBondContact O-N 3.37Š|
| 47 | N | 86.3 | Confident | 94.8 | Very high | 152 Ų | 152 | 41.6 Ų | 41.6 | 81% | 0.813 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 50.8 | 40.9 | 175.4 | -55.7 | -14.5 | 0 | 0 | 0 | 113.7 | ||
| 48 | A | 93.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | trans | -112.6 | 129.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F45 V46 L50 V71 K108 | F45-A48 HydrophobicContact CB-CB 3.76Å; V46-A48 PolarHBondContact O-N 3.37Å; A48-L50 HydrophobicContact CB-CD2 4.14Å; A48-V71 HydrophobicContact CB-CG2 4.45Å; A48-V71 WeakPolarHBondContact O-CG2 3.47Å; A48-V71 PolarHBondContact O-N 3.24Å; A48-K108 HydrophobicContact CB-CD 4.31Å | ||
| 49 | I | 96.4 | Very high | 94.2 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 28% | 0.282 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.2 | 167.6 | -66.2 | 166.3 | 0 | 0 | 0 | 108.1 | R68 A69 D70 E109 | I49-R68 HydrophobicContact CG2-CB 3.72Å; I49-R68 HydrophobicContact CG2-CG 4.07Å; I49-A69 WeakPolarHBondContact CA-O 3.47Å; I49-D70 WeakPolarHBondContact CG1-OD1 3.46Å; I49-E109 HydrophobicContact CB-CB 4.11Å; I49-E109 HydrophobicContact CG2-CB 4.12Å; I49-E109 PolarHBondContact O-N 2.71Å |
| 50 | L | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 149.7 | 176.6 | -48.6 | -177.4 | 0 | 0 | 0 | 111.7 | M40 V43 A48 A69 V71 I76 W78 V106 R107 K108 L119 | M40-L50 HydrophobicContact CE-CD1 3.51Å; V43-L50 HydrophobicContact CG1-CD1 3.83Å; A48-L50 HydrophobicContact CB-CD2 4.14Å; L50-A69 PolarHBondContact N-O 3.02Å; L50-A69 PolarHBondContact O-N 3.42Å; L50-A69 VanDerWaalsContact O-N 3.1Å; L50-V71 HydrophobicContact CD1-CG2 3.55Å; L50-V71 HydrophobicContact CG-CG2 3.71Å; L50-I76 HydrophobicContact CB-CD1 3.73Å; L50-I76 HydrophobicContact CG-CD1 4.36Å; L50-W78 HydrophobicContact CB-CZ2 4.29Å; L50-W78 PolarHBondContact O-NE1 3.32Å; L50-V106 HydrophobicContact CD1-CG1 4.46Å; L50-R107 VanDerWaalsContact CA-O 3.31Å; L50-R107 WeakPolarHBondContact CA-O 3.34Å; L50-K108 VanDerWaalsContact CD2-CA 3.5Å; L50-K108 HydrophobicContact CD2-CB 3.51Å; L50-K108 HydrophobicContact CD2-CD 4.43Å; L50-K108 HydrophobicContact CD2-CG 3.83Å; L50-L119 HydrophobicContact CD1-CD1 4.09Å; L50-L119 HydrophobicContact CD2-CD1 3.72Å |
| 51 | Y | 97.7 | Very high | 93.9 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151.9 | 171.1 | 72.5 | -77.2 | 0 | 0 | 0 | 110.1 | H65 T66 R107 F116 | Y51-H65 AromaticContact CD2-ND1 3.93Å; Y51-H65 AromaticContact CE2-ND1 3.81Å; Y51-T66 WeakPolarHBondContact CA-OG1 3.5Å; Y51-R107 HydrophobicContact CD1-CB 4.05Å; Y51-R107 HydrophobicContact CE1-CB 3.66Å; Y51-R107 HydrophobicContact CE2-CB 4.29Å; Y51-R107 PolarHBondContact N-O 3.08Å; Y51-R107 WeakPolarHBondContact O-CB 3.3Å; Y51-R107 PolarHBondContact O-N 3.17Å; Y51-R107 WeakPolarHBondContact OH-CD 3.42Å; Y51-F116 HydrophobicContact CE1-CB 4.13Å; Y51-F116 WeakPolarHBondContact OH-CB 3.38Å; Y51-F116 WeakPolarHBondContact OH-CD1 3.47Å; Y51-F116 WeakPolarHBondContact OH-CG 3.23Å |
| 52 | S | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 143.4 | 180 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | H65 T66 W78 S105 | S52-H65 WeakPolarHBondContact O-CA 3.45Å; S52-T66 PolarHBondContact N-OG1 3.1Å; S52-T66 PolarHBondContact O-N 3.3Å; S52-W78 WeakPolarHBondContact OG-CH2 3.35Å; S52-S105 WeakPolarHBondContact CA-O 3.13Å |
| 53 | K | 98 | Very high | 94.2 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.9 | 166.5 | -179 | 174.1 | -173.6 | 114.1 | 0 | 109 | C63 H65 I104 S105 | K53-C63 WeakPolarHBondContact CE-SG 3.29Å; K53-C63 PolarHBondContact NZ-SG 2.81Å; K53-H65 VanDerWaalsContact CG-CE1 3.48Å; K53-H65 WeakPolarHBondContact CG-CE1 3.47Å; K53-H65 PolarHBondContact NZ-NE2 3.01Å; K53-H65 VanDerWaalsContact NZ-NE2 3.11Å; K53-I104 CarbonylContact O-C 3.37Å; K53-I104 WeakPolarHBondContact O-CA 3.41Å; K53-S105 PolarHBondContact N-O 3.05Å; K53-S105 PolarHBondContact O-N 2.8Å |
| 54 | I | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.5 | 175.1 | -55.7 | 167.9 | 0 | 0 | 0 | 107.2 | M35 L37 F62 C63 D64 K80 S82 I104 | M35-I54 HydrophobicContact SD-CG2 4.03Å; L37-I54 HydrophobicContact CB-CD1 4.2Å; L37-I54 HydrophobicContact CD2-CD1 4.09Å; L37-I54 HydrophobicContact CD2-CG1 4.19Å; I54-F62 HydrophobicContact CG2-CE1 4.05Å; I54-C63 WeakPolarHBondContact O-CA 3.22Å; I54-D64 PolarHBondContact N-O 3.42Å; I54-D64 PolarHBondContact O-N 3.01Å; I54-K80 HydrophobicContact CD1-CG 4.34Å; I54-S82 WeakPolarHBondContact CD1-OG 3.29Å; I54-I104 HydrophobicContact CG1-CG1 4.46Å |
| 55 | R | 98.2 | Very high | 94.9 | Very high | 133 Ų | 133 | 54.7 Ų | 54.7 | 50% | 0.502 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 123.8 | 179.4 | -174.4 | -173.1 | 177.1 | -176.3 | 1.6 | 111.7 | L57 F62 C102 R103 | R55-L57 HydrophobicContact CG-CD2 4.15Å; R55-F62 WeakPolarHBondContact CA-O 3.37Å; R55-C102 CarbonylContact O-C 3.58Å; R55-R103 PolarHBondContact N-O 3.36Å; R55-R103 PolarHBondContact O-N 3.31Å |
| 56 | L | 98.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.6 | 167 | -172.8 | 63.1 | 0 | 0 | 0 | 109.7 | D58 F62 F84 C86 C102 L126 | L56-D58 WeakPolarHBondContact CD1-O 3.24Å; L56-D58 WeakPolarHBondContact CG-O 3.35Å; L56-F62 HydrophobicContact CB-CB 3.82Å; L56-F62 HydrophobicContact CD2-CB 4.29Å; L56-F62 PolarHBondContact N-O 2.95Å; L56-F84 HydrophobicContact CD1-CE2 4.06Å; L56-F84 HydrophobicContact CD2-CD2 4.1Å; L56-F84 HydrophobicContact CD2-CE2 4.13Å; L56-C86 HydrophobicContact CD2-CB 4.15Å; L56-C102 HydrophobicContact CD1-CB 4.42Å; L56-L126 HydrophobicContact CD1-CD1 3.61Å |
| 57 | L | 96.9 | Very high | 96 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 42% | 0.419 | 28% | 0.276 | S | S | . | . | trans | -96.6 | -34.5 | -177.7 | -58 | -170.4 | 0 | 0 | 0 | 112.9 | R55 I101 R103 | R55-L57 HydrophobicContact CG-CD2 4.15Å; L57-I101 HydrophobicContact CB-CB 4.42Å; L57-I101 WeakPolarHBondContact CB-O 3.18Å; L57-I101 HydrophobicContact CD1-CB 4.36Å; L57-I101 HydrophobicContact CD1-CG2 3.93Å; L57-I101 HydrophobicContact CG-CG2 4.43Å; L57-I101 PolarHBondContact N-O 3.37Å; L57-R103 HydrophobicContact CD1-CB 3.95Å; L57-R103 HydrophobicContact CD2-CB 4.19Å; L57-R103 HydrophobicContact CG-CB 4.07Å | ||
| 58 | D | 91 | Very high | 96.5 | Very high | 92 Ų | 92 | 50.8 Ų | 50.8 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -137.9 | 164.8 | 173.5 | -176.7 | 37.6 | 0 | 0 | 0 | 111.2 | L56 G60 C100 | L56-D58 WeakPolarHBondContact CD1-O 3.24Å; L56-D58 WeakPolarHBondContact CG-O 3.35Å; D58-G60 VanDerWaalsContact C-N 3.26Å; D58-G60 PolarHBondContact O-N 3.3Å; D58-C100 PolarHBondContact O-SG 3.07Å; D58-C100 VanDerWaalsContact O-SG 3.32Å |
| 59 | G | 91.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 83.5 | -6.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | C86 R87 | G59-C86 CarbonylContact O-C 3.57Å; G59-R87 WeakPolarHBondContact O-CB 3.29Å; G59-R87 PolarHBondContact O-N 3.46Å |
| 60 | G | 94.2 | Very high | 96.7 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 173.7 | -167.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D58 | D58-G60 VanDerWaalsContact C-N 3.26Å; D58-G60 PolarHBondContact O-N 3.3Å |
| 61 | N | 95.1 | Very high | 96.7 | Very high | 150 Ų | 150 | 54.2 Ų | 54.2 | 80% | 0.802 | 29% | 0.286 | S | S | * | . | trans | -123.7 | 110.3 | 168.8 | -178 | 24.1 | 0 | 0 | 0 | 108.5 | ||||
| 62 | F | 97.8 | Very high | 96.5 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | trans | -142.7 | 138.7 | 175 | 175.6 | -106.7 | 0 | 0 | 0 | 110 | I54 R55 L56 D64 F84 | I54-F62 HydrophobicContact CG2-CE1 4.05Å; R55-F62 WeakPolarHBondContact CA-O 3.37Å; L56-F62 HydrophobicContact CB-CB 3.82Å; L56-F62 HydrophobicContact CD2-CB 4.29Å; L56-F62 PolarHBondContact N-O 2.95Å; F62-D64 HydrophobicContact CE1-CB 3.82Å; F62-D64 HydrophobicContact CE2-CB 3.95Å; F62-D64 HydrophobicContact CZ-CB 3.32Å; F62-F84 HydrophobicContact CB-CB 4.03Å; F62-F84 HydrophobicContact CB-CD2 4.24Å; F62-F84 HydrophobicContact CB-CG 4.14Å; F62-F84 HydrophobicContact CD1-CB 4.01Å; F62-F84 AromaticContact CD1-CD1 3.45Å; F62-F84 HydrophobicContact CD1-CD1 3.45Å; F62-F84 VanDerWaalsContact CD1-CD1 3.45Å; F62-F84 HydrophobicContact CD1-CD2 4.2Å; F62-F84 AromaticContact CD1-CE1 3.87Å; F62-F84 HydrophobicContact CD1-CE1 3.87Å; F62-F84 AromaticContact CD1-CG 3.64Å; F62-F84 HydrophobicContact CD1-CG 3.64Å; F62-F84 HydrophobicContact CD1-CZ 4.4Å; F62-F84 HydrophobicContact CD2-CB 3.51Å; F62-F84 HydrophobicContact CD2-CD1 4.37Å; F62-F84 HydrophobicContact CD2-CG 4.11Å; F62-F84 HydrophobicContact CE1-CB 4.36Å; F62-F84 AromaticContact CE1-CD1 3.39Å; F62-F84 HydrophobicContact CE1-CD1 3.39Å; F62-F84 AromaticContact CE1-CE1 3.82Å; F62-F84 HydrophobicContact CE1-CE1 3.82Å; F62-F84 HydrophobicContact CE1-CG 4.02Å; F62-F84 HydrophobicContact CE2-CB 3.9Å; F62-F84 HydrophobicContact CE2-CD1 4.31Å; F62-F84 HydrophobicContact CE2-CG 4.44Å; F62-F84 HydrophobicContact CG-CB 3.56Å; F62-F84 AromaticContact CG-CD1 3.95Å; F62-F84 HydrophobicContact CG-CD1 3.95Å; F62-F84 HydrophobicContact CG-CD2 4.24Å; F62-F84 AromaticContact CG-CG 3.68Å; F62-F84 HydrophobicContact CG-CG 3.68Å; F62-F84 HydrophobicContact CZ-CB 4.3Å; F62-F84 AromaticContact CZ-CD1 3.84Å; F62-F84 HydrophobicContact CZ-CD1 3.84Å; F62-F84 HydrophobicContact CZ-CG 4.39Å | ||
| 63 | C | 98 | Very high | 96.3 | Very high | 65 Ų | 65 | 64.5 Ų | 64.5 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 114.6 | -173.5 | 168.9 | 0 | 0 | 0 | 0 | 109.1 | K53 I54 | K53-C63 WeakPolarHBondContact CE-SG 3.29Å; K53-C63 PolarHBondContact NZ-SG 2.81Å; I54-C63 WeakPolarHBondContact O-CA 3.22Å |
| 64 | D | 97.8 | Very high | 96.2 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 21% | 0.214 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 169 | -174.5 | -167.7 | 5.8 | 0 | 0 | 0 | 110.3 | I54 F62 K80 S82 | I54-D64 PolarHBondContact N-O 3.42Å; I54-D64 PolarHBondContact O-N 3.01Å; F62-D64 HydrophobicContact CE1-CB 3.82Å; F62-D64 HydrophobicContact CE2-CB 3.95Å; F62-D64 HydrophobicContact CZ-CB 3.32Å; D64-K80 IonicContact OD1-NZ 3.64Å; D64-K80 PolarHBondContact OD1-NZ 2.85Å; D64-K80 WeakPolarHBondContact OD2-CE 3.48Å; D64-K80 IonicContact OD2-NZ 3.33Å; D64-K80 PolarHBondContact OD2-NZ 3.25Å; D64-S82 PolarHBondContact OD2-OG 2.89Å |
| 65 | H | 98 | Very high | 96 | Very high | 65 Ų | 65 | 68.7 Ų | 68.7 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.6 | -175.6 | -75.5 | -94.6 | 0 | 0 | 0 | 110.9 | Y51 S52 K53 K80 | Y51-H65 AromaticContact CD2-ND1 3.93Å; Y51-H65 AromaticContact CE2-ND1 3.81Å; S52-H65 WeakPolarHBondContact O-CA 3.45Å; K53-H65 VanDerWaalsContact CG-CE1 3.48Å; K53-H65 WeakPolarHBondContact CG-CE1 3.47Å; K53-H65 PolarHBondContact NZ-NE2 3.01Å; K53-H65 VanDerWaalsContact NZ-NE2 3.11Å; H65-K80 WeakPolarHBondContact O-CE 3.47Å; H65-K80 PolarHBondContact O-NZ 3.48Å; H65-K80 VanDerWaalsContact O-NZ 3.12Å |
| 66 | T | 98.2 | Very high | 95.9 | Very high | 14 Ų | 14 | 62.5 Ų | 62.5 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 167.9 | 167 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | L37 Y51 S52 W78 K80 | L37-T66 HydrophobicContact CD2-CG2 3.62Å; L37-T66 HydrophobicContact CG-CG2 4.33Å; Y51-T66 WeakPolarHBondContact CA-OG1 3.5Å; S52-T66 PolarHBondContact N-OG1 3.1Å; S52-T66 PolarHBondContact O-N 3.3Å; T66-W78 HydrophobicContact CG2-CB 3.98Å; T66-W78 HydrophobicContact CG2-CD2 4.2Å; T66-W78 HydrophobicContact CG2-CG 3.85Å; T66-K80 HydrophobicContact CG2-CB 3.91Å; T66-K80 HydrophobicContact CG2-CG 4.05Å |
| 67 | S | 97 | Very high | 95.8 | Very high | 66 Ų | 66 | 70.1 Ų | 70.1 | 46% | 0.462 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 158 | 152.5 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 68 | R | 97.1 | Very high | 95.8 | Very high | 145 Ų | 145 | 67.2 Ų | 67.2 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 134.2 | 157.3 | -71.8 | 168.8 | 173.1 | 89 | -5.5 | 107.6 | I49 E109 | I49-R68 HydrophobicContact CG2-CB 3.72Å; I49-R68 HydrophobicContact CG2-CG 4.07Å; R68-E109 WeakPolarHBondContact CD-OE2 3.45Å; R68-E109 IonicContact CZ-OE2 3.04Å; R68-E109 IonicContact NE-OE2 2.74Å; R68-E109 PolarHBondContact NE-OE2 2.76Å; R68-E109 IonicContact NH2-OE2 2.78Å |
| 69 | A | 97.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 65.3 Ų | 65.3 | 19% | 0.19 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 153.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I49 L50 I76 | I49-A69 WeakPolarHBondContact CA-O 3.47Å; L50-A69 PolarHBondContact N-O 3.02Å; L50-A69 PolarHBondContact O-N 3.42Å; L50-A69 VanDerWaalsContact O-N 3.1Å; A69-I76 HydrophobicContact CB-CD1 3.86Å; A69-I76 HydrophobicContact CB-CG1 3.87Å; A69-I76 WeakPolarHBondContact O-CD1 3.43Å |
| 70 | D | 96.2 | Very high | 96.4 | Very high | 98 Ų | 98 | 67.3 Ų | 67.3 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 145.5 | 176.4 | -66.4 | -80.5 | 0 | 0 | 0 | 111.4 | I49 V72 | I49-D70 WeakPolarHBondContact CG1-OD1 3.46Å; D70-V72 PolarHBondContact O-N 3.1Å |
| 71 | V | 95.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.055 | 37% | 0.37 | C | S | . | . | trans | -80.2 | 117 | 169.9 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | V43 F45 A48 L50 H75 I76 | V43-V71 HydrophobicContact CB-CG1 3.88Å; V43-V71 HydrophobicContact CB-CG2 4.49Å; V43-V71 HydrophobicContact CG1-CG1 3.93Å; V43-V71 HydrophobicContact CG1-CG2 3.82Å; V43-V71 HydrophobicContact CG2-CG1 4.49Å; F45-V71 VanDerWaalsContact O-CG1 3.23Å; F45-V71 WeakPolarHBondContact O-CG1 3.46Å; A48-V71 HydrophobicContact CB-CG2 4.45Å; A48-V71 WeakPolarHBondContact O-CG2 3.47Å; A48-V71 PolarHBondContact O-N 3.24Å; L50-V71 HydrophobicContact CD1-CG2 3.55Å; L50-V71 HydrophobicContact CG-CG2 3.71Å; V71-H75 CarbonylContact C-O 3.58Å; V71-H75 WeakPolarHBondContact CA-O 3.32Å; V71-I76 HydrophobicContact CG2-CB 4.3Å; V71-I76 HydrophobicContact CG2-CD1 4.39Å | ||
| 72 | V | 94.8 | Very high | 96.7 | Very high | 91 Ų | 91 | 62.4 Ų | 62.4 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -116.2 | 127.6 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 108 | D70 H74 H75 | D70-V72 PolarHBondContact O-N 3.1Å; V72-H74 VanDerWaalsContact C-N 3.32Å; V72-H74 PolarHBondContact O-N 2.91Å; V72-H75 PolarHBondContact N-O 3.3Å; V72-H75 CarbonylContact O-C 3.58Å; V72-H75 WeakPolarHBondContact O-CA 3.39Å; V72-H75 WeakPolarHBondContact O-CB 3.36Å; V72-H75 PolarHBondContact O-N 3.02Å |
| 73 | N | 94 | Very high | 96.7 | Very high | 152 Ų | 152 | 68 Ų | 68 | 81% | 0.813 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 44.8 | 178 | -57.7 | -19 | 0 | 0 | 0 | 114.2 | H75 | N73-H75 PolarHBondContact O-N 3.42Š|
| 74 | H | 94.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 65.6 Ų | 65.6 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 22.4 | -175.9 | -57.6 | -76 | 0 | 0 | 0 | 115.1 | C41 N42 V43 V72 | C41-H74 CarbonylContact C-O 3.57Å; N42-H74 PolarHBondContact N-O 3.26Å; N42-H74 VanDerWaalsContact N-O 3.09Å; V43-H74 PolarHBondContact N-O 3.02Å; V43-H74 PolarHBondContact O-ND1 2.96Å; V72-H74 VanDerWaalsContact C-N 3.32Å; V72-H74 PolarHBondContact O-N 2.91Å |
| 75 | H | 95.3 | Very high | 96.6 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 15% | 0.148 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -134.1 | 153.4 | -176.5 | -171.3 | -78.5 | 0 | 0 | 0 | 110.9 | D39 M40 C41 V71 V72 N73 Y77 | D39-H75 IonicContact OD2-CE1 3.52Å; D39-H75 PolarHBondContact OD2-CE1 3Å; D39-H75 VanDerWaalsContact OD2-CE1 3.31Å; D39-H75 IonicContact OD2-NE2 3.52Å; D39-H75 PolarHBondContact OD2-NE2 3.42Å; M40-H75 WeakPolarHBondContact O-CA 3.48Å; C41-H75 PolarHBondContact SG-CD2 3Å; V71-H75 CarbonylContact C-O 3.58Å; V71-H75 WeakPolarHBondContact CA-O 3.32Å; V72-H75 PolarHBondContact N-O 3.3Å; V72-H75 CarbonylContact O-C 3.58Å; V72-H75 WeakPolarHBondContact O-CA 3.39Å; V72-H75 WeakPolarHBondContact O-CB 3.36Å; V72-H75 PolarHBondContact O-N 3.02Å; N73-H75 PolarHBondContact O-N 3.42Å; H75-Y77 AromaticContact CE1-CD1 3.65Å; H75-Y77 AromaticContact CE1-CD2 3.44Å; H75-Y77 VanDerWaalsContact CE1-CD2 3.44Å; H75-Y77 WeakPolarHBondContact CE1-CD2 3.39Å; H75-Y77 AromaticContact CE1-CE1 3.41Å; H75-Y77 VanDerWaalsContact CE1-CE1 3.41Å; H75-Y77 WeakPolarHBondContact CE1-CE1 3.34Å; H75-Y77 AromaticContact CE1-CE2 3.19Å; H75-Y77 WeakPolarHBondContact CE1-CE2 3.45Å; H75-Y77 AromaticContact CE1-CG 3.65Å; H75-Y77 AromaticContact CE1-CZ 3.16Å; H75-Y77 AromaticContact ND1-CD2 3.4Å; H75-Y77 WeakPolarHBondContact ND1-CD2 3.19Å; H75-Y77 AromaticContact ND1-CE2 3.2Å; H75-Y77 WeakPolarHBondContact ND1-CE2 3.43Å; H75-Y77 AromaticContact ND1-CZ 3.66Å; H75-Y77 AromaticContact NE2-CZ 3.9Å |
| 76 | I | 95.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 125.6 | 172.8 | -175.5 | 174 | 0 | 0 | 0 | 110.8 | D39 M40 V43 L50 A69 V71 W78 | D39-I76 CarbonylContact C-O 3.43Å; D39-I76 WeakPolarHBondContact CA-O 3.5Å; D39-I76 VanDerWaalsContact CB-O 3.3Å; D39-I76 WeakPolarHBondContact CB-O 3.45Å; M40-I76 HydrophobicContact CB-CG2 3.81Å; M40-I76 HydrophobicContact CE-CG2 3.88Å; M40-I76 PolarHBondContact N-O 3.09Å; M40-I76 PolarHBondContact O-N 3.2Å; V43-I76 HydrophobicContact CG2-CG2 4.27Å; L50-I76 HydrophobicContact CB-CD1 3.73Å; L50-I76 HydrophobicContact CG-CD1 4.36Å; A69-I76 HydrophobicContact CB-CD1 3.86Å; A69-I76 HydrophobicContact CB-CG1 3.87Å; A69-I76 WeakPolarHBondContact O-CD1 3.43Å; V71-I76 HydrophobicContact CG2-CB 4.3Å; V71-I76 HydrophobicContact CG2-CD1 4.39Å; I76-W78 HydrophobicContact CD1-CZ2 3.8Å; I76-W78 HydrophobicContact CG1-CZ2 4.35Å; I76-W78 HydrophobicContact CG2-CH2 3.9Å; I76-W78 HydrophobicContact CG2-CZ2 3.87Å; I76-W78 HydrophobicContact CG2-CZ3 4.36Å |
| 77 | Y | 96.6 | Very high | 96.4 | Very high | 164 Ų | 164 | 70.2 Ų | 70.2 | 64% | 0.643 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 135.4 | 170.9 | -66.1 | -85.2 | 0 | 0 | 0 | 110.2 | D39 H75 | D39-Y77 HydrophobicContact CB-CD1 3.74Å; D39-Y77 HydrophobicContact CB-CE1 4.16Å; D39-Y77 HydrophobicContact CB-CG 4.34Å; H75-Y77 AromaticContact CE1-CD1 3.65Å; H75-Y77 AromaticContact CE1-CD2 3.44Å; H75-Y77 VanDerWaalsContact CE1-CD2 3.44Å; H75-Y77 WeakPolarHBondContact CE1-CD2 3.39Å; H75-Y77 AromaticContact CE1-CE1 3.41Å; H75-Y77 VanDerWaalsContact CE1-CE1 3.41Å; H75-Y77 WeakPolarHBondContact CE1-CE1 3.34Å; H75-Y77 AromaticContact CE1-CE2 3.19Å; H75-Y77 WeakPolarHBondContact CE1-CE2 3.45Å; H75-Y77 AromaticContact CE1-CG 3.65Å; H75-Y77 AromaticContact CE1-CZ 3.16Å; H75-Y77 AromaticContact ND1-CD2 3.4Å; H75-Y77 WeakPolarHBondContact ND1-CD2 3.19Å; H75-Y77 AromaticContact ND1-CE2 3.2Å; H75-Y77 WeakPolarHBondContact ND1-CE2 3.43Å; H75-Y77 AromaticContact ND1-CZ 3.66Å; H75-Y77 AromaticContact NE2-CZ 3.9Å |
| 78 | W | 97.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 67.2 Ų | 67.2 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -33.5 | 169.5 | -65 | -66.1 | 0 | 0 | 0 | 113 | L37 A38 M40 L50 S52 T66 I76 K80 | L37-W78 HydrophobicContact CD1-CE3 4.03Å; L37-W78 HydrophobicContact CD1-CZ3 4.12Å; L37-W78 HydrophobicContact CD2-CE3 4.23Å; L37-W78 HydrophobicContact CG-CE3 3.92Å; L37-W78 HydrophobicContact CG-CZ3 4.41Å; A38-W78 PolarHBondContact O-N 2.74Å; M40-W78 HydrophobicContact CB-CH2 3.8Å; M40-W78 HydrophobicContact CB-CZ3 3.67Å; M40-W78 HydrophobicContact CE-CH2 3.94Å; M40-W78 HydrophobicContact SD-CH2 4.17Å; L50-W78 HydrophobicContact CB-CZ2 4.29Å; L50-W78 PolarHBondContact O-NE1 3.32Å; S52-W78 WeakPolarHBondContact OG-CH2 3.35Å; T66-W78 HydrophobicContact CG2-CB 3.98Å; T66-W78 HydrophobicContact CG2-CD2 4.2Å; T66-W78 HydrophobicContact CG2-CG 3.85Å; I76-W78 HydrophobicContact CD1-CZ2 3.8Å; I76-W78 HydrophobicContact CG1-CZ2 4.35Å; I76-W78 HydrophobicContact CG2-CH2 3.9Å; I76-W78 HydrophobicContact CG2-CZ2 3.87Å; I76-W78 HydrophobicContact CG2-CZ3 4.36Å; W78-K80 HydrophobicContact CB-CB 4.4Å; W78-K80 PolarHBondContact O-N 2.95Å; W78-K80 VanDerWaalsContact O-N 3.11Å |
| 79 | G | 96.7 | Very high | 96.2 | Very high | 52 Ų | 52 | 61 Ų | 61 | 54% | 0.536 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.6 | 24.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | L37 A38 V81 | L37-G79 PolarHBondContact O-N 3.02Å; A38-G79 PolarHBondContact O-N 2.75Å; G79-V81 PolarHBondContact O-N 3.37Å |
| 80 | K | 98 | Very high | 95.9 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 21% | 0.213 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 110 | -167.8 | 170.1 | 65.7 | -170.4 | -151.8 | 0 | 110.4 | L36 L37 I54 D64 H65 T66 W78 S82 | L36-K80 WeakPolarHBondContact CA-O 3.34Å; L37-K80 PolarHBondContact N-O 3.39Å; L37-K80 PolarHBondContact O-N 2.79Å; I54-K80 HydrophobicContact CD1-CG 4.34Å; D64-K80 IonicContact OD1-NZ 3.64Å; D64-K80 PolarHBondContact OD1-NZ 2.85Å; D64-K80 WeakPolarHBondContact OD2-CE 3.48Å; D64-K80 IonicContact OD2-NZ 3.33Å; D64-K80 PolarHBondContact OD2-NZ 3.25Å; H65-K80 WeakPolarHBondContact O-CE 3.47Å; H65-K80 PolarHBondContact O-NZ 3.48Å; H65-K80 VanDerWaalsContact O-NZ 3.12Å; T66-K80 HydrophobicContact CG2-CB 3.91Å; T66-K80 HydrophobicContact CG2-CG 4.05Å; W78-K80 HydrophobicContact CB-CB 4.4Å; W78-K80 PolarHBondContact O-N 2.95Å; W78-K80 VanDerWaalsContact O-N 3.11Å; K80-S82 WeakPolarHBondContact CE-OG 3.39Å |
| 81 | V | 97.6 | Very high | 95.5 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.6 | 165.2 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | M35 L36 G79 | M35-V81 CarbonylContact O-C 3.56Å; M35-V81 WeakPolarHBondContact O-CA 3.17Å; L36-V81 HydrophobicContact CB-CG2 4.45Å; L36-V81 HydrophobicContact CD1-CG2 4.01Å; G79-V81 PolarHBondContact O-N 3.37Å |
| 82 | S | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 108.7 | 178.4 | -78.6 | 0 | 0 | 0 | 0 | 109 | M35 I54 D64 K80 | M35-S82 PolarHBondContact N-O 3.1Å; M35-S82 PolarHBondContact O-N 2.94Å; I54-S82 WeakPolarHBondContact CD1-OG 3.29Å; D64-S82 PolarHBondContact OD2-OG 2.89Å; K80-S82 WeakPolarHBondContact CE-OG 3.39Å |
| 83 | R | 97.2 | Very high | 94.4 | Very high | 152 Ų | 152 | 62.2 Ų | 62.2 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.2 | -178.8 | -174.9 | 177.8 | -168.5 | 123.6 | -18.4 | 111.2 | Q32 V33 D34 | Q32-R83 VanDerWaalsContact CD-CZ 3.4Å; Q32-R83 VanDerWaalsContact CD-NE 3.35Å; Q32-R83 VanDerWaalsContact CD-NH2 3.26Å; Q32-R83 HydrophobicContact CG-CG 4.4Å; Q32-R83 VanDerWaalsContact OE1-CZ 3.31Å; V33-R83 CarbonylContact O-C 3.54Å; V33-R83 WeakPolarHBondContact O-CA 3.35Å; D34-R83 WeakPolarHBondContact OD1-CB 3.31Å; D34-R83 WeakPolarHBondContact OD1-CD 3.28Å; D34-R83 WeakPolarHBondContact OD1-CG 3.12Å; D34-R83 IonicContact OD1-CZ 2.66Å; D34-R83 IonicContact OD1-NE 3.46Å; D34-R83 IonicContact OD1-NH1 2.74Å; D34-R83 PolarHBondContact OD1-NH1 3.03Å; D34-R83 IonicContact OD2-CZ 2.75Å; D34-R83 IonicContact OD2-NE 3.42Å; D34-R83 IonicContact OD2-NH1 3.17Å; D34-R83 PolarHBondContact OD2-NH1 3.26Å |
| 84 | F | 97.7 | Very high | 94.2 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | -177.9 | -180 | 60.4 | -86.7 | 0 | 0 | 0 | 112.5 | V33 M35 L56 F62 L126 | V33-F84 HydrophobicContact CB-CD1 4.34Å; V33-F84 HydrophobicContact CB-CD2 4.06Å; V33-F84 HydrophobicContact CB-CE1 4.07Å; V33-F84 HydrophobicContact CB-CE2 3.77Å; V33-F84 HydrophobicContact CB-CG 4.34Å; V33-F84 HydrophobicContact CB-CZ 3.78Å; V33-F84 HydrophobicContact CG1-CE1 3.88Å; V33-F84 HydrophobicContact CG1-CE2 4.04Å; V33-F84 HydrophobicContact CG1-CZ 3.57Å; V33-F84 HydrophobicContact CG2-CD2 4.23Å; V33-F84 HydrophobicContact CG2-CE2 3.84Å; V33-F84 HydrophobicContact CG2-CZ 4.25Å; V33-F84 PolarHBondContact N-O 3.07Å; V33-F84 PolarHBondContact O-N 3.13Å; M35-F84 HydrophobicContact CB-CE1 4.16Å; L56-F84 HydrophobicContact CD1-CE2 4.06Å; L56-F84 HydrophobicContact CD2-CD2 4.1Å; L56-F84 HydrophobicContact CD2-CE2 4.13Å; F62-F84 HydrophobicContact CB-CB 4.03Å; F62-F84 HydrophobicContact CB-CD2 4.24Å; F62-F84 HydrophobicContact CB-CG 4.14Å; F62-F84 HydrophobicContact CD1-CB 4.01Å; F62-F84 AromaticContact CD1-CD1 3.45Å; F62-F84 HydrophobicContact CD1-CD1 3.45Å; F62-F84 VanDerWaalsContact CD1-CD1 3.45Å; F62-F84 HydrophobicContact CD1-CD2 4.2Å; F62-F84 AromaticContact CD1-CE1 3.87Å; F62-F84 HydrophobicContact CD1-CE1 3.87Å; F62-F84 AromaticContact CD1-CG 3.64Å; F62-F84 HydrophobicContact CD1-CG 3.64Å; F62-F84 HydrophobicContact CD1-CZ 4.4Å; F62-F84 HydrophobicContact CD2-CB 3.51Å; F62-F84 HydrophobicContact CD2-CD1 4.37Å; F62-F84 HydrophobicContact CD2-CG 4.11Å; F62-F84 HydrophobicContact CE1-CB 4.36Å; F62-F84 AromaticContact CE1-CD1 3.39Å; F62-F84 HydrophobicContact CE1-CD1 3.39Å; F62-F84 AromaticContact CE1-CE1 3.82Å; F62-F84 HydrophobicContact CE1-CE1 3.82Å; F62-F84 HydrophobicContact CE1-CG 4.02Å; F62-F84 HydrophobicContact CE2-CB 3.9Å; F62-F84 HydrophobicContact CE2-CD1 4.31Å; F62-F84 HydrophobicContact CE2-CG 4.44Å; F62-F84 HydrophobicContact CG-CB 3.56Å; F62-F84 AromaticContact CG-CD1 3.95Å; F62-F84 HydrophobicContact CG-CD1 3.95Å; F62-F84 HydrophobicContact CG-CD2 4.24Å; F62-F84 AromaticContact CG-CG 3.68Å; F62-F84 HydrophobicContact CG-CG 3.68Å; F62-F84 HydrophobicContact CZ-CB 4.3Å; F62-F84 AromaticContact CZ-CD1 3.84Å; F62-F84 HydrophobicContact CZ-CD1 3.84Å; F62-F84 HydrophobicContact CZ-CG 4.39Å; F84-L126 HydrophobicContact CE2-CD1 3.75Å; F84-L126 HydrophobicContact CZ-CD1 3.93Å |
| 85 | V | 97.2 | Very high | 93.9 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 39% | 0.394 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.1 | 177.4 | 173 | 0 | 0 | 0 | 0 | 109.1 | K30 F31 L167 | K30-V85 HydrophobicContact CD-CG1 4.34Å; K30-V85 HydrophobicContact CG-CG1 3.7Å; F31-V85 VanDerWaalsContact O-CA 3.3Å; F31-V85 WeakPolarHBondContact O-CA 3.46Å; F31-V85 WeakPolarHBondContact O-CG1 3.47Å; V85-L167 HydrophobicContact CG1-CD1 4.4Å; V85-L167 HydrophobicContact CG2-CD1 3.95Å |
| 86 | C | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 155.9 | 171.8 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | K30 F31 V33 L56 G59 L126 | K30-C86 WeakPolarHBondContact CA-O 3.43Å; F31-C86 PolarHBondContact N-O 3.07Å; F31-C86 PolarHBondContact O-N 2.84Å; V33-C86 HydrophobicContact CG2-CB 4.26Å; V33-C86 VanDerWaalsContact CG2-SG 3.5Å; L56-C86 HydrophobicContact CD2-CB 4.15Å; G59-C86 CarbonylContact O-C 3.57Å; C86-L126 HydrophobicContact CB-CD1 4.32Å |
| 87 | R | 95.7 | Very high | 93.7 | Very high | 151 Ų | 151 | 55.4 Ų | 55.4 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 81.6 | 179.6 | -69.2 | 175.3 | 168.9 | 153.6 | -6 | 110.2 | F29 G59 | F29-R87 CarbonylContact O-C 3.56Å; F29-R87 VanDerWaalsContact O-CA 3.3Å; F29-R87 WeakPolarHBondContact O-CA 3.4Å; G59-R87 WeakPolarHBondContact O-CB 3.29Å; G59-R87 PolarHBondContact O-N 3.46Å |
| 88 | I | 95.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 147.7 | 177.8 | -47 | -170.7 | 0 | 0 | 0 | 108.8 | R28 F29 F31 L97 E98 C100 L126 M164 | R28-I88 CarbonylContact C-O 3.52Å; R28-I88 WeakPolarHBondContact CA-O 3.45Å; F29-I88 PolarHBondContact N-O 3.29Å; F29-I88 PolarHBondContact O-N 3.41Å; F31-I88 HydrophobicContact CD2-CB 4.35Å; F31-I88 HydrophobicContact CD2-CD1 4.02Å; F31-I88 HydrophobicContact CD2-CG1 3.99Å; F31-I88 HydrophobicContact CE2-CB 4.15Å; F31-I88 HydrophobicContact CE2-CD1 4.15Å; F31-I88 HydrophobicContact CE2-CG1 4.2Å; I88-L97 HydrophobicContact CG2-CB 3.91Å; I88-L97 HydrophobicContact CG2-CD1 4.32Å; I88-L97 HydrophobicContact CG2-CD2 4.09Å; I88-L97 HydrophobicContact CG2-CG 4.34Å; I88-E98 VanDerWaalsContact CG2-O 3.3Å; I88-E98 WeakPolarHBondContact CG2-O 3.5Å; I88-C100 HydrophobicContact CB-CB 4.48Å; I88-C100 HydrophobicContact CD1-CB 3.8Å; I88-C100 HydrophobicContact CG1-CB 3.73Å; I88-C100 HydrophobicContact CG2-CB 4.22Å; I88-L126 HydrophobicContact CD1-CB 4.23Å; I88-M164 HydrophobicContact CD1-CE 3.91Å |
| 89 | S | 93.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 150.7 | 176 | -48.7 | 0 | 0 | 0 | 0 | 109.2 | K27 R28 E98 | K27-S89 CarbonylContact O-C 3.58Å; K27-S89 WeakPolarHBondContact O-CA 3.5Å; R28-S89 PolarHBondContact NE-OG 3.39Å; S89-E98 VanDerWaalsContact O-CB 3.29Å; S89-E98 WeakPolarHBondContact O-CB 3.07Å; S89-E98 WeakPolarHBondContact O-CG 3.1Å; S89-E98 PolarHBondContact O-N 2.88Å |
| 90 | S | 92.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 146 | 169.2 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | K26 K27 V92 G95 V96 | K26-S90 VanDerWaalsContact CE-O 3.32Å; K26-S90 WeakPolarHBondContact CE-O 3.45Å; K26-S90 WeakPolarHBondContact CG-O 3.32Å; K27-S90 PolarHBondContact O-N 3.03Å; S90-V92 PolarHBondContact O-N 3.45Å; S90-G95 WeakPolarHBondContact OG-CA 3.49Å; S90-G95 PolarHBondContact OG-O 3.13Å; S90-V96 CarbonylContact C-O 3.59Å; S90-V96 WeakPolarHBondContact CA-O 3.32Å; S90-V96 PolarHBondContact OG-O 3.45Å |
| 91 | C | 86.9 | Confident | 93.4 | Very high | 38 Ų | 38 | 51 Ų | 51 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | trans | -59.9 | 132.7 | 154.2 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | T94 G95 V96 | C91-T94 WeakPolarHBondContact CB-OG1 3.35Å; C91-G95 PolarHBondContact O-N 2.81Å; C91-V96 PolarHBondContact N-O 2.84Å | ||
| 92 | V | 83.5 | Confident | 93.5 | Very high | 53 Ų | 53 | 46.8 Ų | 46.8 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -36.4 | -173.2 | 171 | 0 | 0 | 0 | 0 | 111.8 | L24 K26 S90 | L24-V92 HydrophobicContact CB-CG1 3.66Å; L24-V92 HydrophobicContact CD1-CG1 4.32Å; L24-V92 HydrophobicContact CD2-CG1 3.73Å; L24-V92 HydrophobicContact CG-CG1 4.09Å; L24-V92 WeakPolarHBondContact O-CG1 3.49Å; L24-V92 WeakPolarHBondContact O-CG2 3.47Å; K26-V92 HydrophobicContact CB-CG2 4.2Å; K26-V92 HydrophobicContact CG-CG2 4.24Å; S90-V92 PolarHBondContact O-N 3.45Å |
| 93 | N | 84.7 | Confident | 93.5 | Very high | 149 Ų | 149 | 49.9 Ų | 49.9 | 80% | 0.797 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -27.7 | -169.9 | -58.4 | 4.3 | 0 | 0 | 0 | 113.1 | ||
| 94 | T | 88.1 | Confident | 93.5 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 44% | 0.442 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -20.6 | -173.4 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | C91 V96 K174 | C91-T94 WeakPolarHBondContact CB-OG1 3.35Å; T94-V96 PolarHBondContact O-N 3.42Å; T94-V96 WeakPolarHBondContact OG1-CB 3.34Å; T94-V96 PolarHBondContact OG1-N 3.34Å; T94-K174 PolarHBondContact O-NZ 3.43Å |
| 95 | G | 88.8 | Confident | 93.5 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | trans | 73.5 | 5.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S90 C91 K174 | S90-G95 WeakPolarHBondContact OG-CA 3.49Å; S90-G95 PolarHBondContact OG-O 3.13Å; C91-G95 PolarHBondContact O-N 2.81Å; G95-K174 PolarHBondContact O-N 3.15Å | ||
| 96 | V | 92.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | B | Isolated β-bridge | trans | -84.4 | 134.4 | -178.6 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | S90 C91 T94 E98 K174 P176 | S90-V96 CarbonylContact C-O 3.59Å; S90-V96 WeakPolarHBondContact CA-O 3.32Å; S90-V96 PolarHBondContact OG-O 3.45Å; C91-V96 PolarHBondContact N-O 2.84Å; T94-V96 PolarHBondContact O-N 3.42Å; T94-V96 WeakPolarHBondContact OG1-CB 3.34Å; T94-V96 PolarHBondContact OG1-N 3.34Å; V96-E98 PolarHBondContact O-N 2.76Å; V96-K174 CarbonylContact C-O 3.59Å; V96-K174 WeakPolarHBondContact CA-O 2.94Å; V96-K174 HydrophobicContact CG2-CB 3.96Å; V96-K174 HydrophobicContact CG2-CD 4.34Å; V96-P176 HydrophobicContact CG1-CB 4.26Å; V96-P176 HydrophobicContact CG1-CG 3.91Å |
| 97 | L | 94.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -64.3 | 129.5 | 174.9 | -68.2 | -177.6 | 0 | 0 | 0 | 112.3 | F29 F31 I88 A130 F173 K174 P176 | F29-L97 HydrophobicContact CD2-CD2 3.56Å; F29-L97 HydrophobicContact CE2-CD2 3.83Å; F29-L97 HydrophobicContact CG-CD2 4.12Å; F31-L97 HydrophobicContact CE2-CD1 4.14Å; F31-L97 HydrophobicContact CZ-CD1 4.1Å; I88-L97 HydrophobicContact CG2-CB 3.91Å; I88-L97 HydrophobicContact CG2-CD1 4.32Å; I88-L97 HydrophobicContact CG2-CD2 4.09Å; I88-L97 HydrophobicContact CG2-CG 4.34Å; L97-A130 HydrophobicContact CD1-CB 3.36Å; L97-F173 HydrophobicContact CD1-CD2 3.5Å; L97-F173 VanDerWaalsContact CD1-CD2 3.5Å; L97-F173 HydrophobicContact CD1-CE2 3.84Å; L97-F173 HydrophobicContact CD1-CG 4.1Å; L97-F173 HydrophobicContact CD2-CB 3.94Å; L97-F173 HydrophobicContact CD2-CD2 4.37Å; L97-F173 HydrophobicContact CD2-CG 4.21Å; L97-F173 HydrophobicContact CG-CB 4.09Å; L97-F173 HydrophobicContact CG-CD2 3.82Å; L97-F173 HydrophobicContact CG-CG 4.15Å; L97-K174 PolarHBondContact N-O 3.06Å; L97-P176 VanDerWaalsContact O-CG 3.29Å; L97-P176 WeakPolarHBondContact O-CG 3.37Å |
| 98 | E | 94.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 32% | 0.318 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 148.5 | 173.8 | -59.5 | -81 | -150.4 | 0 | 0 | 110.9 | K26 I88 S89 V96 C100 S127 | K26-E98 WeakPolarHBondContact CE-OE1 3.3Å; K26-E98 IonicContact NZ-OE1 2.66Å; K26-E98 PolarHBondContact NZ-OE1 3.48Å; I88-E98 VanDerWaalsContact CG2-O 3.3Å; I88-E98 WeakPolarHBondContact CG2-O 3.5Å; S89-E98 VanDerWaalsContact O-CB 3.29Å; S89-E98 WeakPolarHBondContact O-CB 3.07Å; S89-E98 WeakPolarHBondContact O-CG 3.1Å; S89-E98 PolarHBondContact O-N 2.88Å; V96-E98 PolarHBondContact O-N 2.76Å; E98-C100 PolarHBondContact O-N 2.87Å; E98-S127 WeakPolarHBondContact O-CB 3.41Å; E98-S127 PolarHBondContact O-OG 2.99Å |
| 99 | P | 95.2 | Very high | 93.4 | Very high | 78 Ų | 78 | 37.9 Ų | 37.9 | 51% | 0.506 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 134.4 | 174.4 | -25.6 | 35.2 | 0 | 0 | 0 | 112.8 | I101 N125 | P99-I101 HydrophobicContact CB-CD1 4.24Å; P99-N125 VanDerWaalsContact CA-OD1 3.29Å; P99-N125 WeakPolarHBondContact CA-OD1 3.49Å |
| 100 | C | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -131.3 | 94.3 | -179.9 | -179 | 0 | 0 | 0 | 0 | 109.3 | D58 I88 E98 N125 L126 | D58-C100 PolarHBondContact O-SG 3.07Å; D58-C100 VanDerWaalsContact O-SG 3.32Å; I88-C100 HydrophobicContact CB-CB 4.48Å; I88-C100 HydrophobicContact CD1-CB 3.8Å; I88-C100 HydrophobicContact CG1-CB 3.73Å; I88-C100 HydrophobicContact CG2-CB 4.22Å; E98-C100 PolarHBondContact O-N 2.87Å; C100-N125 PolarHBondContact N-OD1 2.8Å; C100-L126 HydrophobicContact CB-CB 4.29Å; C100-L126 WeakPolarHBondContact O-CB 3.49Å; C100-L126 WeakPolarHBondContact O-CG 3.49Å; C100-L126 PolarHBondContact O-N 3.18Å | ||
| 101 | I | 97.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 47.5 Ų | 47.5 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.1 | -164.4 | -52.5 | -53.9 | 0 | 0 | 0 | 112.5 | L57 P99 D123 N125 | L57-I101 HydrophobicContact CB-CB 4.42Å; L57-I101 WeakPolarHBondContact CB-O 3.18Å; L57-I101 HydrophobicContact CD1-CB 4.36Å; L57-I101 HydrophobicContact CD1-CG2 3.93Å; L57-I101 HydrophobicContact CG-CG2 4.43Å; L57-I101 PolarHBondContact N-O 3.37Å; P99-I101 HydrophobicContact CB-CD1 4.24Å; I101-D123 HydrophobicContact CG2-CB 3.58Å; I101-N125 HydrophobicContact CD1-CB 3.85Å |
| 102 | C | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 113.4 | 164.3 | -163.3 | 0 | 0 | 0 | 0 | 109.6 | M35 R55 L56 V124 L126 | M35-C102 HydrophobicContact CE-CB 4.16Å; R55-C102 CarbonylContact O-C 3.58Å; L56-C102 HydrophobicContact CD1-CB 4.42Å; C102-V124 PolarHBondContact N-O 3.32Å; C102-V124 PolarHBondContact O-N 3.29Å; C102-L126 HydrophobicContact CB-CD1 4.07Å; C102-L126 HydrophobicContact CB-CD2 4.16Å; C102-L126 HydrophobicContact CB-CG 4.06Å |
| 103 | R | 97.8 | Very high | 94.2 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 25% | 0.249 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.5 | -179.4 | -172.6 | 166.7 | -69.3 | -157 | 4.1 | 111.1 | R55 L57 Y121 V122 D123 | R55-R103 PolarHBondContact N-O 3.36Å; R55-R103 PolarHBondContact O-N 3.31Å; L57-R103 HydrophobicContact CD1-CB 3.95Å; L57-R103 HydrophobicContact CD2-CB 4.19Å; L57-R103 HydrophobicContact CG-CB 4.07Å; R103-Y121 HydrophobicContact CG-CD2 4.07Å; R103-Y121 HydrophobicContact CG-CG 4.32Å; R103-V122 CarbonylContact C-O 3.49Å; R103-V122 WeakPolarHBondContact CA-O 3.16Å; R103-D123 WeakPolarHBondContact CA-OD1 3.48Å; R103-D123 WeakPolarHBondContact CB-OD1 3.42Å; R103-D123 WeakPolarHBondContact CD-OD1 3.46Å; R103-D123 WeakPolarHBondContact CG-OD1 3.46Å; R103-D123 IonicContact CZ-OD1 3.56Å; R103-D123 IonicContact CZ-OD2 2.69Å; R103-D123 IonicContact NE-OD1 3.55Å; R103-D123 PolarHBondContact NE-OD1 3.39Å; R103-D123 IonicContact NE-OD2 2.78Å; R103-D123 PolarHBondContact NE-OD2 2.88Å; R103-D123 IonicContact NH2-OD1 2.69Å; R103-D123 IonicContact NH2-OD2 2.83Å; R103-D123 PolarHBondContact NH2-OD2 2.8Å |
| 104 | I | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.8 | 168.3 | -56.1 | 178 | 0 | 0 | 0 | 107.3 | M35 L37 K53 I54 Y121 V122 V124 V160 | M35-I104 HydrophobicContact SD-CD1 4.33Å; L37-I104 HydrophobicContact CD1-CD1 4.43Å; L37-I104 HydrophobicContact CD2-CG2 3.82Å; K53-I104 CarbonylContact O-C 3.37Å; K53-I104 WeakPolarHBondContact O-CA 3.41Å; I54-I104 HydrophobicContact CG1-CG1 4.46Å; I104-Y121 CarbonylContact O-C 3.55Å; I104-Y121 WeakPolarHBondContact O-CA 3.27Å; I104-Y121 WeakPolarHBondContact O-CB 3.31Å; I104-V122 PolarHBondContact N-O 2.66Å; I104-V122 PolarHBondContact O-N 2.72Å; I104-V124 HydrophobicContact CD1-CG2 3.96Å; I104-V124 HydrophobicContact CG1-CG2 4.43Å; I104-V160 HydrophobicContact CD1-CG2 3.66Å |
| 105 | S | 96.9 | Very high | 95 | Very high | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 112 | -178.4 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | S52 K53 Y146 | S52-S105 WeakPolarHBondContact CA-O 3.13Å; K53-S105 PolarHBondContact N-O 3.05Å; K53-S105 PolarHBondContact O-N 2.8Å; S105-Y146 VanDerWaalsContact CB-OH 3.23Å; S105-Y146 WeakPolarHBondContact CB-OH 3.33Å; S105-Y146 PolarHBondContact OG-OH 3.44Å |
| 106 | V | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 136.3 | -178.3 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | M40 L50 L119 G120 L143 I158 | M40-V106 HydrophobicContact CE-CG1 3.98Å; M40-V106 HydrophobicContact SD-CG1 4.31Å; M40-V106 HydrophobicContact SD-CG2 4.14Å; L50-V106 HydrophobicContact CD1-CG1 4.46Å; V106-L119 HydrophobicContact CB-CB 4.48Å; V106-L119 HydrophobicContact CG1-CB 4.45Å; V106-L119 HydrophobicContact CG1-CD1 4.07Å; V106-L119 PolarHBondContact O-N 3.42Å; V106-G120 PolarHBondContact N-O 2.86Å; V106-L143 HydrophobicContact CB-CD1 4.45Å; V106-L143 HydrophobicContact CB-CD2 4.3Å; V106-L143 HydrophobicContact CG2-CD1 3.87Å; V106-L143 HydrophobicContact CG2-CD2 4.09Å; V106-I158 HydrophobicContact CG2-CD1 3.46Å; V106-I158 VanDerWaalsContact CG2-CD1 3.46Å |
| 107 | R | 95.9 | Very high | 95.3 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.9 | -176 | -60.7 | 173.9 | 179.2 | -150.2 | -4.8 | 110.7 | L50 Y51 F116 Q117 | L50-R107 VanDerWaalsContact CA-O 3.31Å; L50-R107 WeakPolarHBondContact CA-O 3.34Å; Y51-R107 HydrophobicContact CD1-CB 4.05Å; Y51-R107 HydrophobicContact CE1-CB 3.66Å; Y51-R107 HydrophobicContact CE2-CB 4.29Å; Y51-R107 PolarHBondContact N-O 3.08Å; Y51-R107 WeakPolarHBondContact O-CB 3.3Å; Y51-R107 PolarHBondContact O-N 3.17Å; Y51-R107 WeakPolarHBondContact OH-CD 3.42Å; R107-F116 HydrophobicContact CB-CB 4.3Å; R107-F116 HydrophobicContact CB-CD2 4.23Å; R107-F116 HydrophobicContact CG-CD2 3.93Å; R107-F116 HydrophobicContact CG-CE2 4.47Å; R107-Q117 CarbonylContact C-O 3.56Å; R107-Q117 WeakPolarHBondContact CA-O 3.3Å |
| 108 | K | 95.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 60.6 Ų | 60.6 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.3 | 169.5 | 177.4 | 171.4 | 179.4 | 175.6 | 0 | 109.8 | A48 L50 V110 F116 Q117 L119 | A48-K108 HydrophobicContact CB-CD 4.31Å; L50-K108 VanDerWaalsContact CD2-CA 3.5Å; L50-K108 HydrophobicContact CD2-CB 3.51Å; L50-K108 HydrophobicContact CD2-CD 4.43Å; L50-K108 HydrophobicContact CD2-CG 3.83Å; K108-V110 HydrophobicContact CG-CG1 4.48Å; K108-F116 CarbonylContact O-C 3.52Å; K108-F116 VanDerWaalsContact O-CA 3.23Å; K108-F116 WeakPolarHBondContact O-CA 3.49Å; K108-Q117 HydrophobicContact CB-CB 4.37Å; K108-Q117 PolarHBondContact N-O 2.83Å; K108-Q117 PolarHBondContact O-N 2.89Å; K108-L119 HydrophobicContact CB-CD1 4.11Å; K108-L119 HydrophobicContact CB-CD2 3.96Å; K108-L119 HydrophobicContact CB-CG 4.04Å |
| 109 | E | 96.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 137 | 172.3 | -175.7 | 159.4 | 120.2 | 0 | 0 | 111.4 | I49 R68 G113 | I49-E109 HydrophobicContact CB-CB 4.11Å; I49-E109 HydrophobicContact CG2-CB 4.12Å; I49-E109 PolarHBondContact O-N 2.71Å; R68-E109 WeakPolarHBondContact CD-OE2 3.45Å; R68-E109 IonicContact CZ-OE2 3.04Å; R68-E109 IonicContact NE-OE2 2.74Å; R68-E109 PolarHBondContact NE-OE2 2.76Å; R68-E109 IonicContact NH2-OE2 2.78Å; E109-G113 VanDerWaalsContact OE1-CA 3.28Å; E109-G113 WeakPolarHBondContact OE1-CA 3.29Å; E109-G113 PolarHBondContact OE1-N 3.48Å; E109-G113 WeakPolarHBondContact OE2-CA 3.37Å |
| 110 | V | 94.9 | Very high | 95.1 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 148.3 | 176.7 | -71.1 | 0 | 0 | 0 | 0 | 111.1 | K108 G112 S115 Q117 | K108-V110 HydrophobicContact CG-CG1 4.48Å; V110-G112 VanDerWaalsContact C-N 3.34Å; V110-S115 PolarHBondContact N-O 2.91Å; V110-S115 CarbonylContact O-C 3.42Å; V110-S115 PolarHBondContact O-N 3.06Å; V110-S115 VanDerWaalsContact O-N 3.15Å; V110-S115 PolarHBondContact O-OG 3.18Å; V110-Q117 HydrophobicContact CG1-CB 4.41Å; V110-Q117 HydrophobicContact CG2-CB 4.46Å |
| 111 | K | 94.4 | Very high | 95.1 | Very high | 178 Ų | 178 | 56.5 Ų | 56.5 | 77% | 0.774 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 36.1 | -173.3 | -46.3 | -179.1 | -172.9 | 177.2 | 0 | 113.9 | R114 S115 | K111-R114 WeakPolarHBondContact O-CB 3.32Å; K111-S115 WeakPolarHBondContact CB-OG 3.48Å; K111-S115 WeakPolarHBondContact CD-OG 3.3Å; K111-S115 WeakPolarHBondContact CG-OG 3.16Å |
| 112 | G | 90.4 | Very high | 95.1 | Very high | 65 Ų | 65 | 54.6 Ų | 54.6 | 67% | 0.67 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 76.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V110 R114 | V110-G112 VanDerWaalsContact C-N 3.34Å; G112-R114 PolarHBondContact O-N 2.97Å |
| 113 | G | 92 | Very high | 95 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -29.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | E109 S115 | E109-G113 VanDerWaalsContact OE1-CA 3.28Å; E109-G113 WeakPolarHBondContact OE1-CA 3.29Å; E109-G113 PolarHBondContact OE1-N 3.48Å; E109-G113 WeakPolarHBondContact OE2-CA 3.37Å; G113-S115 VanDerWaalsContact C-N 3.31Å; G113-S115 PolarHBondContact O-N 3.26Å |
| 114 | R | 94.6 | Very high | 94.9 | Very high | 230 Ų | 230 | 54 Ų | 54 | 87% | 0.868 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -15.5 | -167.1 | -60.5 | 179.9 | -172.8 | -167 | 1.4 | 115 | K111 G112 | K111-R114 WeakPolarHBondContact O-CB 3.32Å; G112-R114 PolarHBondContact O-N 2.97Å |
| 115 | S | 96.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 168.2 | 178.6 | 50 | 0 | 0 | 0 | 0 | 111.9 | V110 K111 G113 | V110-S115 PolarHBondContact N-O 2.91Å; V110-S115 CarbonylContact O-C 3.42Å; V110-S115 PolarHBondContact O-N 3.06Å; V110-S115 VanDerWaalsContact O-N 3.15Å; V110-S115 PolarHBondContact O-OG 3.18Å; K111-S115 WeakPolarHBondContact CB-OG 3.48Å; K111-S115 WeakPolarHBondContact CD-OG 3.3Å; K111-S115 WeakPolarHBondContact CG-OG 3.16Å; G113-S115 VanDerWaalsContact C-N 3.31Å; G113-S115 PolarHBondContact O-N 3.26Å |
| 116 | F | 95.1 | Very high | 94.9 | Very high | 86 Ų | 86 | 54 Ų | 54 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.5 | 178 | 65.3 | -87.8 | 0 | 0 | 0 | 111.4 | Y51 R107 K108 K118 | Y51-F116 HydrophobicContact CE1-CB 4.13Å; Y51-F116 WeakPolarHBondContact OH-CB 3.38Å; Y51-F116 WeakPolarHBondContact OH-CD1 3.47Å; Y51-F116 WeakPolarHBondContact OH-CG 3.23Å; R107-F116 HydrophobicContact CB-CB 4.3Å; R107-F116 HydrophobicContact CB-CD2 4.23Å; R107-F116 HydrophobicContact CG-CD2 3.93Å; R107-F116 HydrophobicContact CG-CE2 4.47Å; K108-F116 CarbonylContact O-C 3.52Å; K108-F116 VanDerWaalsContact O-CA 3.23Å; K108-F116 WeakPolarHBondContact O-CA 3.49Å; F116-K118 HydrophobicContact CE2-CG 4.15Å |
| 117 | Q | 93.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 54 Ų | 54 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.8 | 165.3 | -178.7 | 177.9 | 8.6 | 0 | 0 | 107.8 | R107 K108 V110 | R107-Q117 CarbonylContact C-O 3.56Å; R107-Q117 WeakPolarHBondContact CA-O 3.3Å; K108-Q117 HydrophobicContact CB-CB 4.37Å; K108-Q117 PolarHBondContact N-O 2.83Å; K108-Q117 PolarHBondContact O-N 2.89Å; V110-Q117 HydrophobicContact CG1-CB 4.41Å; V110-Q117 HydrophobicContact CG2-CB 4.46Å |
| 118 | K | 93.5 | Very high | 94.8 | Very high | 115 Ų | 115 | 55 Ų | 55 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 131.3 | 166.5 | -66.9 | -179.7 | -176.1 | 175.3 | 0 | 108 | F116 Y146 | F116-K118 HydrophobicContact CE2-CG 4.15Å; K118-Y146 HydrophobicContact CB-CD2 3.88Å; K118-Y146 HydrophobicContact CB-CE2 3.64Å; K118-Y146 HydrophobicContact CD-CD1 4.49Å; K118-Y146 HydrophobicContact CD-CD2 4.07Å; K118-Y146 HydrophobicContact CD-CE1 4.26Å; K118-Y146 HydrophobicContact CD-CE2 3.81Å; K118-Y146 HydrophobicContact CD-CG 4.39Å; K118-Y146 HydrophobicContact CG-CE2 4.12Å |
| 119 | L | 92.1 | Very high | 94.9 | Very high | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -70.6 | 170.8 | -61.5 | -176.6 | 0 | 0 | 0 | 108.7 | F45 L50 V106 K108 | F45-L119 HydrophobicContact CD2-CD1 4.01Å; F45-L119 HydrophobicContact CE2-CD1 3.62Å; F45-L119 HydrophobicContact CE2-CD2 3.66Å; F45-L119 HydrophobicContact CE2-CG 4.24Å; F45-L119 HydrophobicContact CZ-CD2 3.78Å; L50-L119 HydrophobicContact CD1-CD1 4.09Å; L50-L119 HydrophobicContact CD2-CD1 3.72Å; V106-L119 HydrophobicContact CB-CB 4.48Å; V106-L119 HydrophobicContact CG1-CB 4.45Å; V106-L119 HydrophobicContact CG1-CD1 4.07Å; V106-L119 PolarHBondContact O-N 3.42Å; K108-L119 HydrophobicContact CB-CD1 4.11Å; K108-L119 HydrophobicContact CB-CD2 3.96Å; K108-L119 HydrophobicContact CB-CG 4.04Å |
| 120 | G | 93.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | -170.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V106 L143 E144 | V106-G120 PolarHBondContact N-O 2.86Å; G120-L143 VanDerWaalsContact C-CD1 3.43Å; G120-E144 CarbonylContact C-O 3.57Å; G120-E144 WeakPolarHBondContact CA-O 3.09Å |
| 121 | Y | 95.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 165.4 | 171.5 | 68.4 | -82.1 | 0 | 0 | 0 | 112.2 | R103 I104 E144 Y146 | R103-Y121 HydrophobicContact CG-CD2 4.07Å; R103-Y121 HydrophobicContact CG-CG 4.32Å; I104-Y121 CarbonylContact O-C 3.55Å; I104-Y121 WeakPolarHBondContact O-CA 3.27Å; I104-Y121 WeakPolarHBondContact O-CB 3.31Å; Y121-E144 HydrophobicContact CE1-CB 4.31Å; Y121-E144 HydrophobicContact CE2-CB 4.44Å; Y121-E144 PolarHBondContact N-O 3.08Å; Y121-E144 WeakPolarHBondContact O-CB 3.18Å; Y121-E144 PolarHBondContact O-N 2.8Å; Y121-E144 PolarHBondContact OH-OE2 2.87Å; Y121-Y146 AromaticContact CD1-CD1 3.69Å; Y121-Y146 HydrophobicContact CD1-CD1 3.69Å; Y121-Y146 HydrophobicContact CD1-CD2 4.31Å; Y121-Y146 AromaticContact CD1-CE1 3.51Å; Y121-Y146 HydrophobicContact CD1-CE1 3.51Å; Y121-Y146 HydrophobicContact CD1-CE2 4.15Å; Y121-Y146 HydrophobicContact CD1-CG 4.11Å; Y121-Y146 AromaticContact CD1-CZ 3.78Å; Y121-Y146 HydrophobicContact CE1-CD1 4.04Å; Y121-Y146 HydrophobicContact CE1-CE1 4.26Å; Y121-Y146 HydrophobicContact CE1-CG 4.45Å; Y121-Y146 HydrophobicContact CG-CE1 4.21Å |
| 122 | V | 96 | Very high | 94.2 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.5 | 168.9 | 164.6 | 0 | 0 | 0 | 0 | 106.9 | R103 I104 V124 Y141 L143 I158 | R103-V122 CarbonylContact C-O 3.49Å; R103-V122 WeakPolarHBondContact CA-O 3.16Å; I104-V122 PolarHBondContact N-O 2.66Å; I104-V122 PolarHBondContact O-N 2.72Å; V122-V124 HydrophobicContact CG1-CG2 3.94Å; V122-Y141 VanDerWaalsContact CG1-CB 3.4Å; V122-Y141 HydrophobicContact CG1-CD1 3.91Å; V122-Y141 HydrophobicContact CG1-CD2 3.99Å; V122-Y141 HydrophobicContact CG1-CG 3.5Å; V122-L143 HydrophobicContact CG2-CD1 4.27Å; V122-I158 HydrophobicContact CG2-CD1 3.91Å; V122-I158 HydrophobicContact CG2-CG1 4.46Å |
| 123 | D | 96.4 | Very high | 94.1 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 106.1 | 171.2 | -85 | -7.1 | 0 | 0 | 0 | 109.9 | I101 R103 | I101-D123 HydrophobicContact CG2-CB 3.58Å; R103-D123 WeakPolarHBondContact CA-OD1 3.48Å; R103-D123 WeakPolarHBondContact CB-OD1 3.42Å; R103-D123 WeakPolarHBondContact CD-OD1 3.46Å; R103-D123 WeakPolarHBondContact CG-OD1 3.46Å; R103-D123 IonicContact CZ-OD1 3.56Å; R103-D123 IonicContact CZ-OD2 2.69Å; R103-D123 IonicContact NE-OD1 3.55Å; R103-D123 PolarHBondContact NE-OD1 3.39Å; R103-D123 IonicContact NE-OD2 2.78Å; R103-D123 PolarHBondContact NE-OD2 2.88Å; R103-D123 IonicContact NH2-OD1 2.69Å; R103-D123 IonicContact NH2-OD2 2.83Å; R103-D123 PolarHBondContact NH2-OD2 2.8Å |
| 124 | V | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.2 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 108 | M35 C102 I104 V122 L126 F129 Y141 V162 | M35-V124 HydrophobicContact CE-CB 4.39Å; M35-V124 HydrophobicContact CE-CG1 4.17Å; C102-V124 PolarHBondContact N-O 3.32Å; C102-V124 PolarHBondContact O-N 3.29Å; I104-V124 HydrophobicContact CD1-CG2 3.96Å; I104-V124 HydrophobicContact CG1-CG2 4.43Å; V122-V124 HydrophobicContact CG1-CG2 3.94Å; V124-L126 HydrophobicContact CG1-CD2 4.37Å; V124-L126 PolarHBondContact O-N 3.27Å; V124-F129 HydrophobicContact CG1-CD2 4.39Å; V124-F129 HydrophobicContact CG1-CE2 3.6Å; V124-F129 HydrophobicContact CG1-CZ 4.09Å; V124-Y141 HydrophobicContact CG1-CE2 4.29Å; V124-Y141 HydrophobicContact CG2-CD2 4.26Å; V124-Y141 HydrophobicContact CG2-CE2 3.91Å; V124-V162 HydrophobicContact CG1-CG2 4.39Å |
| 125 | N | 96.7 | Very high | 93.7 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 106.5 | 173.2 | 176.7 | 26.7 | 0 | 0 | 0 | 110.7 | P99 C100 I101 S127 E128 F129 | P99-N125 VanDerWaalsContact CA-OD1 3.29Å; P99-N125 WeakPolarHBondContact CA-OD1 3.49Å; C100-N125 PolarHBondContact N-OD1 2.8Å; I101-N125 HydrophobicContact CD1-CB 3.85Å; N125-S127 PolarHBondContact ND2-OG 3.05Å; N125-S127 PolarHBondContact O-N 3.47Å; N125-S127 PolarHBondContact OD1-N 2.83Å; N125-S127 PolarHBondContact OD1-OG 2.87Å; N125-E128 WeakPolarHBondContact CB-OE1 3.3Å; N125-E128 PolarHBondContact ND2-OE1 2.88Å; N125-E128 PolarHBondContact O-N 3.27Å; N125-F129 VanDerWaalsContact O-CD2 3.31Å; N125-F129 WeakPolarHBondContact O-CD2 3.35Å |
| 126 | L | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -66.8 | -19.7 | -177.7 | -60 | 176.2 | 0 | 0 | 0 | 113.6 | V33 M35 L56 F84 C86 I88 C100 C102 V124 E128 F129 A130 V162 M164 | V33-L126 HydrophobicContact CG1-CD2 4.14Å; V33-L126 HydrophobicContact CG2-CD1 4.39Å; M35-L126 HydrophobicContact CE-CD2 3.8Å; L56-L126 HydrophobicContact CD1-CD1 3.61Å; F84-L126 HydrophobicContact CE2-CD1 3.75Å; F84-L126 HydrophobicContact CZ-CD1 3.93Å; C86-L126 HydrophobicContact CB-CD1 4.32Å; I88-L126 HydrophobicContact CD1-CB 4.23Å; C100-L126 HydrophobicContact CB-CB 4.29Å; C100-L126 WeakPolarHBondContact O-CB 3.49Å; C100-L126 WeakPolarHBondContact O-CG 3.49Å; C100-L126 PolarHBondContact O-N 3.18Å; C102-L126 HydrophobicContact CB-CD1 4.07Å; C102-L126 HydrophobicContact CB-CD2 4.16Å; C102-L126 HydrophobicContact CB-CG 4.06Å; V124-L126 HydrophobicContact CG1-CD2 4.37Å; V124-L126 PolarHBondContact O-N 3.27Å; L126-E128 PolarHBondContact O-N 3.5Å; L126-F129 PolarHBondContact O-N 3.49Å; L126-F129 VanDerWaalsContact O-N 3.14Å; L126-A130 PolarHBondContact O-N 3.07Å; L126-V162 HydrophobicContact CD2-CG1 4.15Å; L126-M164 HydrophobicContact CB-SD 4.2Å |
| 127 | S | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -70.9 | -20.3 | 179.2 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | E98 N125 F129 P176 | E98-S127 WeakPolarHBondContact O-CB 3.41Å; E98-S127 PolarHBondContact O-OG 2.99Å; N125-S127 PolarHBondContact ND2-OG 3.05Å; N125-S127 PolarHBondContact O-N 3.47Å; N125-S127 PolarHBondContact OD1-N 2.83Å; N125-S127 PolarHBondContact OD1-OG 2.87Å; S127-F129 PolarHBondContact O-N 3.17Å; S127-P176 WeakPolarHBondContact O-CD 3.44Å; S127-P176 WeakPolarHBondContact OG-CG 3.16Å |
| 128 | E | 95 | Very high | 93.8 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 28% | 0.28 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -71.7 | -15.7 | 171.3 | -74.5 | 157.5 | -138.8 | 0 | 0 | 113.7 | N125 L126 V175 P176 | N125-E128 WeakPolarHBondContact CB-OE1 3.3Å; N125-E128 PolarHBondContact ND2-OE1 2.88Å; N125-E128 PolarHBondContact O-N 3.27Å; L126-E128 PolarHBondContact O-N 3.5Å; E128-V175 WeakPolarHBondContact O-CG1 3.41Å; E128-P176 HydrophobicContact CG-CB 4.45Å |
| 129 | F | 96.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -106.5 | -5.5 | -177.4 | -63.7 | -95.9 | 0 | 0 | 0 | 113 | V124 N125 L126 S127 G131 S132 L137 R139 Y141 V162 M164 | V124-F129 HydrophobicContact CG1-CD2 4.39Å; V124-F129 HydrophobicContact CG1-CE2 3.6Å; V124-F129 HydrophobicContact CG1-CZ 4.09Å; N125-F129 VanDerWaalsContact O-CD2 3.31Å; N125-F129 WeakPolarHBondContact O-CD2 3.35Å; L126-F129 PolarHBondContact O-N 3.49Å; L126-F129 VanDerWaalsContact O-N 3.14Å; S127-F129 PolarHBondContact O-N 3.17Å; F129-G131 PolarHBondContact O-N 3.45Å; F129-S132 WeakPolarHBondContact O-CB 3.38Å; F129-S132 PolarHBondContact O-N 3Å; F129-S132 PolarHBondContact O-OG 2.88Å; F129-L137 HydrophobicContact CD1-CB 3.91Å; F129-L137 HydrophobicContact CD1-CD2 4.32Å; F129-L137 HydrophobicContact CD1-CG 4.39Å; F129-L137 HydrophobicContact CE1-CB 4.16Å; F129-L137 HydrophobicContact CE1-CD2 4.41Å; F129-L137 HydrophobicContact CE1-CG 4.29Å; F129-L137 WeakPolarHBondContact CE1-O 3.2Å; F129-R139 HydrophobicContact CE1-CB 4.42Å; F129-R139 HydrophobicContact CE1-CG 3.66Å; F129-R139 HydrophobicContact CZ-CB 4.09Å; F129-R139 HydrophobicContact CZ-CG 3.52Å; F129-Y141 WeakPolarHBondContact CE2-OH 3.3Å; F129-Y141 VanDerWaalsContact CZ-OH 3.27Å; F129-Y141 WeakPolarHBondContact CZ-OH 3.4Å; F129-V162 HydrophobicContact CB-CB 4.29Å; F129-V162 HydrophobicContact CB-CG1 4.28Å; F129-V162 HydrophobicContact CD1-CB 3.54Å; F129-V162 HydrophobicContact CD1-CG1 4.4Å; F129-V162 HydrophobicContact CD1-CG2 4.01Å; F129-V162 HydrophobicContact CE1-CB 3.84Å; F129-V162 HydrophobicContact CE1-CG2 3.82Å; F129-V162 HydrophobicContact CE2-CG2 4.41Å; F129-V162 HydrophobicContact CG-CB 3.89Å; F129-V162 HydrophobicContact CG-CG1 4.29Å; F129-V162 HydrophobicContact CG-CG2 4.36Å; F129-V162 HydrophobicContact CZ-CB 4.46Å; F129-V162 HydrophobicContact CZ-CG2 4.02Å; F129-M164 HydrophobicContact CB-CG 4.29Å; F129-M164 HydrophobicContact CB-SD 3.6Å; F129-M164 WeakPolarHBondContact O-CB 3.47Å |
| 130 | A | 94.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 121.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | F31 L97 L126 M164 F173 V175 | F31-A130 HydrophobicContact CE1-CB 3.88Å; F31-A130 HydrophobicContact CE2-CB 4.1Å; F31-A130 HydrophobicContact CZ-CB 3.61Å; L97-A130 HydrophobicContact CD1-CB 3.36Å; L126-A130 PolarHBondContact O-N 3.07Å; A130-M164 HydrophobicContact CB-CE 4.19Å; A130-F173 HydrophobicContact CB-CD2 4.48Å; A130-F173 HydrophobicContact CB-CE2 3.65Å; A130-F173 HydrophobicContact CB-CZ 4.05Å; A130-V175 WeakPolarHBondContact O-CG2 3.45Å |
| 131 | G | 85.6 | Confident | 94.2 | Very high | 58 Ų | 58 | 44 Ų | 44 | 60% | 0.598 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | 10.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | F129 G133 | F129-G131 PolarHBondContact O-N 3.45Å; G131-G133 PolarHBondContact O-N 3.29Å |
| 132 | S | 91.5 | Very high | 94.2 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -66.3 | 1.5 | 172.2 | 64.5 | 0 | 0 | 0 | 0 | 114.9 | F129 G136 V162 M164 | F129-S132 WeakPolarHBondContact O-CB 3.38Å; F129-S132 PolarHBondContact O-N 3Å; F129-S132 PolarHBondContact O-OG 2.88Å; S132-G136 WeakPolarHBondContact O-CA 3.34Å; S132-G136 PolarHBondContact O-N 3.22Å; S132-V162 PolarHBondContact OG-O 2.63Å; S132-V162 VanDerWaalsContact OG-O 3.08Å; S132-M164 PolarHBondContact OG-N 2.85Å | ||
| 133 | G | 87.9 | Confident | 94.1 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.6 | -153.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G131 S163 M164 | G131-G133 PolarHBondContact O-N 3.29Å; G133-S163 PolarHBondContact O-OG 3.22Å; G133-S163 VanDerWaalsContact O-OG 3.07Å; G133-M164 PolarHBondContact O-N 3.18Å |
| 134 | I | 88.5 | Confident | 93.9 | Very high | 140 Ų | 140 | 47 Ų | 47 | 72% | 0.718 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -42.5 | -179.9 | -65.1 | 172.5 | 0 | 0 | 0 | 110.3 | G136 S163 V165 | I134-G136 PolarHBondContact O-N 2.97Å; I134-S163 VanDerWaalsContact O-CB 3.32Å; I134-S163 WeakPolarHBondContact O-CB 3.41Å; I134-S163 PolarHBondContact O-OG 3.08Å; I134-V165 HydrophobicContact CG1-CG2 4.45Å |
| 135 | D | 90.2 | Very high | 93.5 | Very high | 146 Ų | 146 | 48.6 Ų | 48.6 | 78% | 0.781 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -24.3 | -179.9 | -44.9 | -77.7 | 0 | 0 | 0 | 112.7 | N161 | D135-N161 PolarHBondContact O-ND2 2.98Å |
| 136 | G | 93.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.4 | -172.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S132 I134 V162 | S132-G136 WeakPolarHBondContact O-CA 3.34Å; S132-G136 PolarHBondContact O-N 3.22Å; I134-G136 PolarHBondContact O-N 2.97Å; G136-V162 VanDerWaalsContact CA-O 3.32Å; G136-V162 WeakPolarHBondContact CA-O 3.19Å |
| 137 | L | 96.2 | Very high | 92.1 | Very high | 64 Ų | 64 | 56 Ų | 56 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129 | 178 | 178.3 | 62.4 | 0 | 0 | 0 | 110.1 | F129 R139 N161 V162 | F129-L137 HydrophobicContact CD1-CB 3.91Å; F129-L137 HydrophobicContact CD1-CD2 4.32Å; F129-L137 HydrophobicContact CD1-CG 4.39Å; F129-L137 HydrophobicContact CE1-CB 4.16Å; F129-L137 HydrophobicContact CE1-CD2 4.41Å; F129-L137 HydrophobicContact CE1-CG 4.29Å; F129-L137 WeakPolarHBondContact CE1-O 3.2Å; L137-R139 HydrophobicContact CG-CG 4.43Å; L137-N161 WeakPolarHBondContact O-CA 3.24Å; L137-V162 PolarHBondContact N-O 3.39Å; L137-V162 PolarHBondContact O-N 2.86Å |
| 138 | T | 96.5 | Very high | 90.7 | Very high | 76 Ų | 76 | 61.3 Ų | 61.3 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 131.3 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | R159 V160 N161 | T138-R159 HydrophobicContact CG2-CG 3.92Å; T138-V160 CarbonylContact C-O 3.58Å; T138-V160 WeakPolarHBondContact CA-O 3.41Å; T138-N161 PolarHBondContact OG1-ND2 2.94Å; T138-N161 VanDerWaalsContact OG1-ND2 3.09Å |
| 139 | R | 95.7 | Very high | 89.2 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 22% | 0.219 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.2 | 176.9 | -66.4 | -61 | -173.7 | 150.7 | 2.3 | 110.9 | F129 L137 Y141 R159 V160 Q178 | F129-R139 HydrophobicContact CE1-CB 4.42Å; F129-R139 HydrophobicContact CE1-CG 3.66Å; F129-R139 HydrophobicContact CZ-CB 4.09Å; F129-R139 HydrophobicContact CZ-CG 3.52Å; L137-R139 HydrophobicContact CG-CG 4.43Å; R139-Y141 HydrophobicContact CB-CD2 4.27Å; R139-Y141 HydrophobicContact CB-CE2 3.54Å; R139-R159 WeakPolarHBondContact O-CA 3.34Å; R139-V160 PolarHBondContact N-O 3.37Å; R139-V160 PolarHBondContact O-N 2.94Å; R139-V160 VanDerWaalsContact O-O 3.1Å; R139-Q178 VanDerWaalsContact CZ-OE1 3.23Å |
| 140 | T | 97 | Very high | 87.5 | Confident | 84 Ų | 84 | 67.8 Ų | 67.8 | 52% | 0.515 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.7 | 174 | -55.1 | 0 | 0 | 0 | 0 | 108.6 | L157 I158 | T140-L157 HydrophobicContact CG2-CB 3.81Å; T140-L157 HydrophobicContact CG2-CD1 4.48Å; T140-L157 HydrophobicContact CG2-CD2 4.28Å; T140-L157 HydrophobicContact CG2-CG 4.42Å; T140-I158 CarbonylContact C-O 3.57Å; T140-I158 WeakPolarHBondContact CA-O 3.44Å |
| 141 | Y | 96.3 | Very high | 85.5 | Confident | 41 Ų | 41 | 75.8 Ų | 75.8 | 16% | 0.161 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 146.1 | -176.9 | -66.8 | -84.1 | 0 | 0 | 0 | 110.8 | V122 V124 F129 R139 L157 I158 V160 | V122-Y141 VanDerWaalsContact CG1-CB 3.4Å; V122-Y141 HydrophobicContact CG1-CD1 3.91Å; V122-Y141 HydrophobicContact CG1-CD2 3.99Å; V122-Y141 HydrophobicContact CG1-CG 3.5Å; V124-Y141 HydrophobicContact CG1-CE2 4.29Å; V124-Y141 HydrophobicContact CG2-CD2 4.26Å; V124-Y141 HydrophobicContact CG2-CE2 3.91Å; F129-Y141 WeakPolarHBondContact CE2-OH 3.3Å; F129-Y141 VanDerWaalsContact CZ-OH 3.27Å; F129-Y141 WeakPolarHBondContact CZ-OH 3.4Å; R139-Y141 HydrophobicContact CB-CD2 4.27Å; R139-Y141 HydrophobicContact CB-CE2 3.54Å; Y141-L157 CarbonylContact O-C 3.6Å; Y141-L157 WeakPolarHBondContact O-CA 3.4Å; Y141-I158 PolarHBondContact N-O 3.3Å; Y141-I158 PolarHBondContact O-N 3.21Å; Y141-V160 HydrophobicContact CD2-CG2 4.31Å |
| 142 | L | 94.5 | Very high | 84.3 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 37% | 0.372 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 122.9 | 178 | -136.6 | -50 | 0 | 0 | 0 | 109.2 | E144 R152 L157 | L142-E144 PolarHBondContact O-N 2.63Å; L142-R152 PolarHBondContact O-NH2 3.49Å; L142-R152 VanDerWaalsContact O-NH2 3.15Å; L142-L157 HydrophobicContact CB-CD2 4.27Å; L142-L157 HydrophobicContact CD1-CD2 4.22Å; L142-L157 HydrophobicContact CG-CD2 3.77Å |
| 143 | L | 94 | Very high | 82.7 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 47% | 0.47 | C | S | . | . | trans | -60.4 | 132.9 | -175.6 | -173.5 | 52.8 | 0 | 0 | 0 | 111.8 | M40 V106 G120 V122 R152 D154 S156 I158 | M40-L143 HydrophobicContact SD-CD2 3.97Å; V106-L143 HydrophobicContact CB-CD1 4.45Å; V106-L143 HydrophobicContact CB-CD2 4.3Å; V106-L143 HydrophobicContact CG2-CD1 3.87Å; V106-L143 HydrophobicContact CG2-CD2 4.09Å; G120-L143 VanDerWaalsContact C-CD1 3.43Å; V122-L143 HydrophobicContact CG2-CD1 4.27Å; L143-R152 VanDerWaalsContact O-CZ 3.26Å; L143-R152 PolarHBondContact O-NE 3.14Å; L143-R152 PolarHBondContact O-NH2 3.45Å; L143-D154 HydrophobicContact CD2-CB 4.48Å; L143-D154 VanDerWaalsContact CD2-OD2 3.26Å; L143-D154 WeakPolarHBondContact CD2-OD2 3.21Å; L143-S156 WeakPolarHBondContact CB-O 3.21Å; L143-S156 PolarHBondContact N-O 3.27Å; L143-I158 HydrophobicContact CD1-CD1 3.98Å | ||
| 144 | E | 92.1 | Very high | 81.9 | Confident | 86 Ų | 86 | 82 Ų | 82 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.3 | -178.3 | -54.5 | -161.1 | 141.7 | 0 | 0 | 112.2 | G120 Y121 L142 | G120-E144 CarbonylContact C-O 3.57Å; G120-E144 WeakPolarHBondContact CA-O 3.09Å; Y121-E144 HydrophobicContact CE1-CB 4.31Å; Y121-E144 HydrophobicContact CE2-CB 4.44Å; Y121-E144 PolarHBondContact N-O 3.08Å; Y121-E144 WeakPolarHBondContact O-CB 3.18Å; Y121-E144 PolarHBondContact O-N 2.8Å; Y121-E144 PolarHBondContact OH-OE2 2.87Å; L142-E144 PolarHBondContact O-N 2.63Å |
| 145 | G | 88.5 | Confident | 81.8 | Confident | 34 Ų | 34 | 80.6 Ų | 80.6 | 35% | 0.351 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 148.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N147 | G145-N147 VanDerWaalsContact C-N 3.26Å; G145-N147 PolarHBondContact O-N 2.79Å |
| 146 | Y | 85.4 | Confident | 82 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 28% | 0.278 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -72.2 | -14.6 | 178.8 | -75.2 | -84.3 | 0 | 0 | 0 | 114.8 | S105 K118 Y121 | S105-Y146 VanDerWaalsContact CB-OH 3.23Å; S105-Y146 WeakPolarHBondContact CB-OH 3.33Å; S105-Y146 PolarHBondContact OG-OH 3.44Å; K118-Y146 HydrophobicContact CB-CD2 3.88Å; K118-Y146 HydrophobicContact CB-CE2 3.64Å; K118-Y146 HydrophobicContact CD-CD1 4.49Å; K118-Y146 HydrophobicContact CD-CD2 4.07Å; K118-Y146 HydrophobicContact CD-CE1 4.26Å; K118-Y146 HydrophobicContact CD-CE2 3.81Å; K118-Y146 HydrophobicContact CD-CG 4.39Å; K118-Y146 HydrophobicContact CG-CE2 4.12Å; Y121-Y146 AromaticContact CD1-CD1 3.69Å; Y121-Y146 HydrophobicContact CD1-CD1 3.69Å; Y121-Y146 HydrophobicContact CD1-CD2 4.31Å; Y121-Y146 AromaticContact CD1-CE1 3.51Å; Y121-Y146 HydrophobicContact CD1-CE1 3.51Å; Y121-Y146 HydrophobicContact CD1-CE2 4.15Å; Y121-Y146 HydrophobicContact CD1-CG 4.11Å; Y121-Y146 AromaticContact CD1-CZ 3.78Å; Y121-Y146 HydrophobicContact CE1-CD1 4.04Å; Y121-Y146 HydrophobicContact CE1-CE1 4.26Å; Y121-Y146 HydrophobicContact CE1-CG 4.45Å; Y121-Y146 HydrophobicContact CG-CE1 4.21Å |
| 147 | N | 80.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 54% | 0.535 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -108.4 | 103.1 | -174.9 | -65.3 | -12.3 | 0 | 0 | 0 | 110.3 | G145 G149 Q150 | G145-N147 VanDerWaalsContact C-N 3.26Å; G145-N147 PolarHBondContact O-N 2.79Å; N147-G149 PolarHBondContact O-N 3.28Å; N147-Q150 HydrophobicContact CB-CB 3.97Å; N147-Q150 PolarHBondContact ND2-OE1 3.26Å; N147-Q150 PolarHBondContact O-N 2.87Å |
| 148 | A | 65.3 | Low | 82.2 | Confident | 111 Ų | 111 | 72.5 Ų | 72.5 | 92% | 0.917 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 130.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 149 | G | 64.8 | Low | 82.2 | Confident | 89 Ų | 89 | 73.6 Ų | 73.6 | 92% | 0.918 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -12.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N147 | N147-G149 PolarHBondContact O-N 3.28Š|
| 150 | Q | 58.5 | Low | 82.3 | Confident | 109 Ų | 109 | 70.9 Ų | 70.9 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -88.2 | 132.1 | 166.1 | -159.9 | 166.8 | 15 | 0 | 0 | 108.7 | N147 R152 | N147-Q150 HydrophobicContact CB-CB 3.97Å; N147-Q150 PolarHBondContact ND2-OE1 3.26Å; N147-Q150 PolarHBondContact O-N 2.87Å; Q150-R152 PolarHBondContact O-N 3.49Å |
| 151 | Q | 53.8 | Low | 82.4 | Confident | 173 Ų | 173 | 68.4 Ų | 68.4 | 81% | 0.808 | 37% | 0.371 | S | S | * | . | trans | -53.4 | 132 | -179.6 | 179.9 | -179 | -7.2 | 0 | 0 | 110.4 | Q153 | Q151-Q153 WeakPolarHBondContact O-CG 3.47Å; Q151-Q153 PolarHBondContact O-N 2.64Å | ||
| 152 | R | 59.4 | Low | 82.4 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | trans | -48.3 | 111.6 | 177 | -170.5 | -174.2 | -141.9 | 127 | 8 | 109.9 | L142 L143 Q150 D154 | L142-R152 PolarHBondContact O-NH2 3.49Å; L142-R152 VanDerWaalsContact O-NH2 3.15Å; L143-R152 VanDerWaalsContact O-CZ 3.26Å; L143-R152 PolarHBondContact O-NE 3.14Å; L143-R152 PolarHBondContact O-NH2 3.45Å; Q150-R152 PolarHBondContact O-N 3.49Å; R152-D154 VanDerWaalsContact C-N 3.34Å; R152-D154 WeakPolarHBondContact CG-O 3.44Å | ||
| 153 | Q | 58.3 | Low | 82.6 | Confident | 142 Ų | 142 | 63.6 Ų | 63.6 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | trans | -85.3 | -13.2 | -172.4 | -59.7 | -163.5 | -30.2 | 0 | 0 | 112.6 | Q151 | Q151-Q153 WeakPolarHBondContact O-CG 3.47Å; Q151-Q153 PolarHBondContact O-N 2.64Å | ||
| 154 | D | 70.1 | Confident | 82.7 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 4% | 0.043 | 35% | 0.349 | C | S | . | . | trans | -133.8 | 117.7 | -178.2 | 32.9 | 15.2 | 0 | 0 | 0 | 111.9 | P44 L143 R152 S156 | P44-D154 HydrophobicContact CG-CB 4.2Å; L143-D154 HydrophobicContact CD2-CB 4.48Å; L143-D154 VanDerWaalsContact CD2-OD2 3.26Å; L143-D154 WeakPolarHBondContact CD2-OD2 3.21Å; R152-D154 VanDerWaalsContact C-N 3.34Å; R152-D154 WeakPolarHBondContact CG-O 3.44Å; D154-S156 WeakPolarHBondContact CB-OG 3.17Å; D154-S156 PolarHBondContact O-N 2.8Å | ||
| 155 | N | 88.2 | Confident | 82.8 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | trans | -84.7 | 29.4 | 161.9 | -70.6 | -32.5 | 0 | 0 | 0 | 111.3 | N42 | N42-N155 WeakPolarHBondContact CB-O 3.29Å; N42-N155 PolarHBondContact ND2-O 2.95Å | ||
| 156 | S | 94.5 | Very high | 83.2 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | trans | -67.6 | 132 | -177 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | C41 L143 D154 | C41-S156 CarbonylContact O-C 3.58Å; C41-S156 VanDerWaalsContact O-CA 3.24Å; C41-S156 WeakPolarHBondContact O-CA 3.2Å; L143-S156 WeakPolarHBondContact CB-O 3.21Å; L143-S156 PolarHBondContact N-O 3.27Å; D154-S156 WeakPolarHBondContact CB-OG 3.17Å; D154-S156 PolarHBondContact O-N 2.8Å | ||
| 157 | L | 96 | Very high | 83.6 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 115.9 | -178.7 | -67.5 | 176.6 | 0 | 0 | 0 | 109.8 | M40 C41 T140 Y141 L142 | M40-L157 CarbonylContact C-O 3.59Å; M40-L157 WeakPolarHBondContact CA-O 3.25Å; C41-L157 HydrophobicContact CB-CB 4.39Å; C41-L157 PolarHBondContact N-O 3.39Å; C41-L157 PolarHBondContact O-N 3.4Å; T140-L157 HydrophobicContact CG2-CB 3.81Å; T140-L157 HydrophobicContact CG2-CD1 4.48Å; T140-L157 HydrophobicContact CG2-CD2 4.28Å; T140-L157 HydrophobicContact CG2-CG 4.42Å; Y141-L157 CarbonylContact O-C 3.6Å; Y141-L157 WeakPolarHBondContact O-CA 3.4Å; L142-L157 HydrophobicContact CB-CD2 4.27Å; L142-L157 HydrophobicContact CD1-CD2 4.22Å; L142-L157 HydrophobicContact CG-CD2 3.77Å |
| 158 | I | 96.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.1 | 176 | -58.1 | -176.1 | 0 | 0 | 0 | 109.5 | L37 M40 V106 V122 T140 Y141 L143 V160 | L37-I158 HydrophobicContact CD1-CG2 3.42Å; L37-I158 VanDerWaalsContact CD1-CG2 3.42Å; M40-I158 HydrophobicContact CB-CG1 4.16Å; M40-I158 HydrophobicContact CG-CG1 3.84Å; M40-I158 HydrophobicContact SD-CD1 4.17Å; M40-I158 HydrophobicContact SD-CG1 3.77Å; V106-I158 HydrophobicContact CG2-CD1 3.46Å; V106-I158 VanDerWaalsContact CG2-CD1 3.46Å; V122-I158 HydrophobicContact CG2-CD1 3.91Å; V122-I158 HydrophobicContact CG2-CG1 4.46Å; T140-I158 CarbonylContact C-O 3.57Å; T140-I158 WeakPolarHBondContact CA-O 3.44Å; Y141-I158 PolarHBondContact N-O 3.3Å; Y141-I158 PolarHBondContact O-N 3.21Å; L143-I158 HydrophobicContact CD1-CD1 3.98Å; I158-V160 HydrophobicContact CG2-CG2 4.04Å |
| 159 | R | 97.8 | Very high | 85.3 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 130.7 | 175.4 | 178.3 | 166 | 53.1 | 179.2 | -6 | 111.3 | A38 D39 T138 R139 | A38-R159 PolarHBondContact N-O 2.97Å; A38-R159 VanDerWaalsContact N-O 3.17Å; D39-R159 VanDerWaalsContact CG-NH2 3.25Å; D39-R159 PolarHBondContact O-N 2.7Å; D39-R159 WeakPolarHBondContact OD1-CB 3.3Å; D39-R159 IonicContact OD1-CZ 2.64Å; D39-R159 IonicContact OD1-NE 3.45Å; D39-R159 PolarHBondContact OD1-NE 2.73Å; D39-R159 IonicContact OD1-NH2 2.75Å; D39-R159 PolarHBondContact OD1-NH2 3.39Å; D39-R159 IonicContact OD2-CZ 3.32Å; D39-R159 IonicContact OD2-NE 3.83Å; D39-R159 IonicContact OD2-NH2 3.61Å; D39-R159 PolarHBondContact OD2-NH2 3.09Å; T138-R159 HydrophobicContact CG2-CG 3.92Å; R139-R159 WeakPolarHBondContact O-CA 3.34Å |
| 160 | V | 97.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.5 | -177.9 | -169.4 | 0 | 0 | 0 | 0 | 108.6 | M35 L36 L37 I104 T138 R139 Y141 I158 V162 | M35-V160 HydrophobicContact CE-CG1 4.35Å; M35-V160 HydrophobicContact CG-CG1 3.73Å; M35-V160 HydrophobicContact SD-CG1 4.23Å; L36-V160 CarbonylContact O-C 3.59Å; L36-V160 VanDerWaalsContact O-CA 3.3Å; L36-V160 WeakPolarHBondContact O-CA 3.22Å; L36-V160 WeakPolarHBondContact O-CG1 3.41Å; L37-V160 HydrophobicContact CD1-CG2 4.32Å; I104-V160 HydrophobicContact CD1-CG2 3.66Å; T138-V160 CarbonylContact C-O 3.58Å; T138-V160 WeakPolarHBondContact CA-O 3.41Å; R139-V160 PolarHBondContact N-O 3.37Å; R139-V160 PolarHBondContact O-N 2.94Å; R139-V160 VanDerWaalsContact O-O 3.1Å; Y141-V160 HydrophobicContact CD2-CG2 4.31Å; I158-V160 HydrophobicContact CG2-CG2 4.04Å; V160-V162 HydrophobicContact CG1-CG2 3.72Å |
| 161 | N | 97.6 | Very high | 87.8 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137.3 | 160.4 | 172.2 | -72.8 | 0 | 0 | 0 | 108.5 | L36 D135 L137 T138 | L36-N161 HydrophobicContact CB-CB 4.31Å; L36-N161 PolarHBondContact N-O 3Å; L36-N161 PolarHBondContact O-N 2.98Å; D135-N161 PolarHBondContact O-ND2 2.98Å; L137-N161 WeakPolarHBondContact O-CA 3.24Å; T138-N161 PolarHBondContact OG1-ND2 2.94Å; T138-N161 VanDerWaalsContact OG1-ND2 3.09Å |
| 162 | V | 97.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 117.1 | 176.5 | -166 | 0 | 0 | 0 | 0 | 109.9 | V33 M35 V124 L126 F129 S132 G136 L137 V160 M164 | V33-V162 HydrophobicContact CG1-CG1 3.55Å; M35-V162 HydrophobicContact CE-CG2 3.89Å; M35-V162 HydrophobicContact CG-CG2 4.33Å; V124-V162 HydrophobicContact CG1-CG2 4.39Å; L126-V162 HydrophobicContact CD2-CG1 4.15Å; F129-V162 HydrophobicContact CB-CB 4.29Å; F129-V162 HydrophobicContact CB-CG1 4.28Å; F129-V162 HydrophobicContact CD1-CB 3.54Å; F129-V162 HydrophobicContact CD1-CG1 4.4Å; F129-V162 HydrophobicContact CD1-CG2 4.01Å; F129-V162 HydrophobicContact CE1-CB 3.84Å; F129-V162 HydrophobicContact CE1-CG2 3.82Å; F129-V162 HydrophobicContact CE2-CG2 4.41Å; F129-V162 HydrophobicContact CG-CB 3.89Å; F129-V162 HydrophobicContact CG-CG1 4.29Å; F129-V162 HydrophobicContact CG-CG2 4.36Å; F129-V162 HydrophobicContact CZ-CB 4.46Å; F129-V162 HydrophobicContact CZ-CG2 4.02Å; S132-V162 PolarHBondContact OG-O 2.63Å; S132-V162 VanDerWaalsContact OG-O 3.08Å; G136-V162 VanDerWaalsContact CA-O 3.32Å; G136-V162 WeakPolarHBondContact CA-O 3.19Å; L137-V162 PolarHBondContact N-O 3.39Å; L137-V162 PolarHBondContact O-N 2.86Å; V160-V162 HydrophobicContact CG1-CG2 3.72Å; V162-M164 HydrophobicContact CG1-CG 4.05Å; V162-M164 HydrophobicContact CG1-SD 4.33Å |
| 163 | S | 97.2 | Very high | 90.9 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.5 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 109.5 | D34 G133 I134 | D34-S163 PolarHBondContact N-O 3.03Å; D34-S163 PolarHBondContact O-N 3.19Å; G133-S163 PolarHBondContact O-OG 3.22Å; G133-S163 VanDerWaalsContact O-OG 3.07Å; I134-S163 VanDerWaalsContact O-CB 3.32Å; I134-S163 WeakPolarHBondContact O-CB 3.41Å; I134-S163 PolarHBondContact O-OG 3.08Å |
| 164 | M | 96.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 115.1 | -175.4 | -73.2 | -172.6 | 57.3 | 0 | 0 | 113.6 | F31 Q32 V33 I88 L126 F129 A130 S132 G133 V162 | F31-M164 HydrophobicContact CB-CE 3.56Å; F31-M164 HydrophobicContact CD1-CE 3.98Å; F31-M164 HydrophobicContact CD2-CE 3.79Å; F31-M164 HydrophobicContact CE2-CE 4.47Å; F31-M164 HydrophobicContact CG-CE 3.51Å; Q32-M164 WeakPolarHBondContact O-CA 3.4Å; V33-M164 HydrophobicContact CB-CG 4.42Å; V33-M164 HydrophobicContact CG1-CG 4.16Å; V33-M164 HydrophobicContact CG2-CE 4.17Å; V33-M164 HydrophobicContact CG2-CG 4.11Å; V33-M164 HydrophobicContact CG2-SD 4.21Å; I88-M164 HydrophobicContact CD1-CE 3.91Å; L126-M164 HydrophobicContact CB-SD 4.2Å; F129-M164 HydrophobicContact CB-CG 4.29Å; F129-M164 HydrophobicContact CB-SD 3.6Å; F129-M164 WeakPolarHBondContact O-CB 3.47Å; A130-M164 HydrophobicContact CB-CE 4.19Å; S132-M164 PolarHBondContact OG-N 2.85Å; G133-M164 PolarHBondContact O-N 3.18Å; V162-M164 HydrophobicContact CG1-CG 4.05Å; V162-M164 HydrophobicContact CG1-SD 4.33Å |
| 165 | V | 95.2 | Very high | 93.6 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 35% | 0.352 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.5 | 179.6 | -178.1 | 0 | 0 | 0 | 0 | 110 | F31 Q32 I134 L167 | F31-V165 CarbonylContact C-O 3.53Å; F31-V165 WeakPolarHBondContact CA-O 3.13Å; Q32-V165 PolarHBondContact N-O 2.93Å; Q32-V165 PolarHBondContact O-N 2.75Å; I134-V165 HydrophobicContact CG1-CG2 4.45Å; V165-L167 PolarHBondContact O-N 2.8Å |
| 166 | L | 95.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 48.6 Ų | 48.6 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 119.4 | 177 | -173.1 | 68.5 | 0 | 0 | 0 | 110.2 | F29 F31 S168 S169 P171 F173 | F29-L166 HydrophobicContact CB-CD1 3.99Å; F29-L166 HydrophobicContact CD1-CD1 4.3Å; F31-L166 HydrophobicContact CD1-CB 4.18Å; F31-L166 HydrophobicContact CD1-CD1 3.97Å; F31-L166 HydrophobicContact CE1-CB 4.04Å; F31-L166 HydrophobicContact CE1-CD1 3.56Å; F31-L166 HydrophobicContact CE1-CG 4.39Å; F31-L166 HydrophobicContact CE2-CD1 4.41Å; F31-L166 HydrophobicContact CZ-CD1 3.81Å; L166-S168 WeakPolarHBondContact CD1-O 3.42Å; L166-S169 WeakPolarHBondContact CD2-O 3.49Å; L166-P171 HydrophobicContact CD2-CB 3.86Å; L166-F173 HydrophobicContact CD2-CE1 4.37Å |
| 167 | L | 94.7 | Very high | 92.9 | Very high | 76 Ų | 76 | 57.4 Ų | 57.4 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -25 | 179.2 | -66.9 | 177.9 | 0 | 0 | 0 | 113.6 | K30 Q32 V85 V165 | K30-L167 HydrophobicContact CB-CB 4.42Å; K30-L167 HydrophobicContact CD-CB 3.94Å; K30-L167 HydrophobicContact CD-CD1 4.27Å; K30-L167 HydrophobicContact CG-CB 4.11Å; K30-L167 HydrophobicContact CG-CD1 4.32Å; K30-L167 WeakPolarHBondContact O-CA 3.41Å; K30-L167 WeakPolarHBondContact O-CB 3.34Å; K30-L167 PolarHBondContact O-N 3.35Å; Q32-L167 HydrophobicContact CB-CD1 3.9Å; Q32-L167 HydrophobicContact CB-CD2 4.14Å; Q32-L167 HydrophobicContact CB-CG 3.96Å; V85-L167 HydrophobicContact CG1-CD1 4.4Å; V85-L167 HydrophobicContact CG2-CD1 3.95Å; V165-L167 PolarHBondContact O-N 2.8Å |
| 168 | S | 90.8 | Very high | 91.5 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 159.6 | 174.5 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | K30 L166 | K30-S168 WeakPolarHBondContact CB-OG 3.5Å; K30-S168 PolarHBondContact N-O 3.34Å; K30-S168 PolarHBondContact O-N 3.04Å; L166-S168 WeakPolarHBondContact CD1-O 3.42Å |
| 169 | S | 90.1 | Very high | 88.8 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 46% | 0.462 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 83.8 | 159.4 | -169.6 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | R28 L166 | R28-S169 WeakPolarHBondContact O-CB 3.39Å; R28-S169 PolarHBondContact O-OG 3.25Å; L166-S169 WeakPolarHBondContact CD2-O 3.49Å |
| 170 | D | 86.8 | Confident | 86.1 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 35% | 0.353 | 37% | 0.366 | S | S | . | . | trans | -63.8 | 136.9 | 178.4 | 137.1 | 51 | 0 | 0 | 0 | 110.6 | K27 F29 C172 | K27-D170 IonicContact NZ-OD2 3.4Å; K27-D170 PolarHBondContact NZ-OD2 3.24Å; F29-D170 WeakPolarHBondContact CE1-O 3.12Å; D170-C172 PolarHBondContact O-N 3.32Å; D170-C172 VanDerWaalsContact OD1-CB 3.25Å; D170-C172 WeakPolarHBondContact OD1-CB 3.46Å; D170-C172 PolarHBondContact OD1-N 2.82Å; D170-C172 PolarHBondContact OD1-SG 3.01Å | ||
| 171 | P | 88.6 | Confident | 82.9 | Confident | 94 Ų | 94 | 77 Ų | 77 | 61% | 0.61 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -72.3 | 1.3 | -176.8 | 30.2 | -35.7 | 0 | 0 | 0 | 115.2 | L166 F173 | L166-P171 HydrophobicContact CD2-CB 3.86Å; P171-F173 VanDerWaalsContact O-CD1 3.29Å; P171-F173 WeakPolarHBondContact O-CD1 3.43Å; P171-F173 PolarHBondContact O-N 2.85Å |
| 172 | C | 88.7 | Confident | 79.8 | Confident | 90 Ų | 90 | 81 Ų | 81 | 61% | 0.608 | 43% | 0.432 | S | S | * | . | trans | -71.4 | 84.4 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | D170 | D170-C172 PolarHBondContact O-N 3.32Å; D170-C172 VanDerWaalsContact OD1-CB 3.25Å; D170-C172 WeakPolarHBondContact OD1-CB 3.46Å; D170-C172 PolarHBondContact OD1-N 2.82Å; D170-C172 PolarHBondContact OD1-SG 3.01Å | ||
| 173 | F | 90.5 | Very high | 76.6 | Confident | 41 Ų | 41 | 85.2 Ų | 85.2 | 18% | 0.18 | 47% | 0.466 | C | S | . | . | trans | -138.3 | 164.1 | 168.3 | 62.1 | -94.7 | 0 | 0 | 0 | 111.5 | F29 F31 L97 A130 L166 P171 V175 | F29-F173 HydrophobicContact CD1-CB 4.35Å; F29-F173 AromaticContact CD1-CD1 3.74Å; F29-F173 HydrophobicContact CD1-CD1 3.74Å; F29-F173 HydrophobicContact CD1-CG 4.37Å; F29-F173 HydrophobicContact CE1-CB 3.76Å; F29-F173 AromaticContact CE1-CD1 3.77Å; F29-F173 HydrophobicContact CE1-CD1 3.77Å; F29-F173 HydrophobicContact CE1-CG 4.19Å; F29-F173 HydrophobicContact CE2-CB 4.45Å; F29-F173 HydrophobicContact CZ-CB 3.82Å; F31-F173 HydrophobicContact CE1-CE1 4.01Å; F31-F173 AromaticContact CE1-CZ 3.84Å; F31-F173 HydrophobicContact CE1-CZ 3.84Å; F31-F173 HydrophobicContact CZ-CD1 4.37Å; F31-F173 AromaticContact CZ-CE1 3.8Å; F31-F173 HydrophobicContact CZ-CE1 3.8Å; F31-F173 HydrophobicContact CZ-CE2 4.28Å; F31-F173 AromaticContact CZ-CZ 3.75Å; F31-F173 HydrophobicContact CZ-CZ 3.75Å; L97-F173 HydrophobicContact CD1-CD2 3.5Å; L97-F173 VanDerWaalsContact CD1-CD2 3.5Å; L97-F173 HydrophobicContact CD1-CE2 3.84Å; L97-F173 HydrophobicContact CD1-CG 4.1Å; L97-F173 HydrophobicContact CD2-CB 3.94Å; L97-F173 HydrophobicContact CD2-CD2 4.37Å; L97-F173 HydrophobicContact CD2-CG 4.21Å; L97-F173 HydrophobicContact CG-CB 4.09Å; L97-F173 HydrophobicContact CG-CD2 3.82Å; L97-F173 HydrophobicContact CG-CG 4.15Å; A130-F173 HydrophobicContact CB-CD2 4.48Å; A130-F173 HydrophobicContact CB-CE2 3.65Å; A130-F173 HydrophobicContact CB-CZ 4.05Å; L166-F173 HydrophobicContact CD2-CE1 4.37Å; P171-F173 VanDerWaalsContact O-CD1 3.29Å; P171-F173 WeakPolarHBondContact O-CD1 3.43Å; P171-F173 PolarHBondContact O-N 2.85Å; F173-V175 HydrophobicContact CE2-CG2 4.16Å | ||
| 174 | K | 92.1 | Very high | 73.3 | Confident | 129 Ų | 129 | 91.5 Ų | 91.5 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | B | Isolated β-bridge | trans | -112.6 | 139 | 170.7 | -64.3 | 176.5 | -175.1 | 167.2 | 0 | 110.5 | T94 G95 V96 L97 | T94-K174 PolarHBondContact O-NZ 3.43Å; G95-K174 PolarHBondContact O-N 3.15Å; V96-K174 CarbonylContact C-O 3.59Å; V96-K174 WeakPolarHBondContact CA-O 2.94Å; V96-K174 HydrophobicContact CG2-CB 3.96Å; V96-K174 HydrophobicContact CG2-CD 4.34Å; L97-K174 PolarHBondContact N-O 3.06Å |
| 175 | V | 92.6 | Very high | 70.3 | Confident | 60 Ų | 60 | 97.5 Ų | 97.5 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | trans | -78.4 | 141.3 | 171.5 | 179.5 | 0 | 0 | 0 | 0 | 109 | E128 A130 F173 Q177 | E128-V175 WeakPolarHBondContact O-CG1 3.41Å; A130-V175 WeakPolarHBondContact O-CG2 3.45Å; F173-V175 HydrophobicContact CE2-CG2 4.16Å; V175-Q177 PolarHBondContact O-N 3.45Å | ||
| 176 | P | 89.7 | Confident | 67.1 | Low | 28 Ų | 28 | 99.4 Ų | 99.4 | 18% | 0.182 | 56% | 0.557 | C | S | . | * | trans | -58.4 | 131.1 | 170.1 | -23.7 | 34.9 | 0 | 0 | 0 | 111.1 | V96 L97 S127 E128 Q178 | V96-P176 HydrophobicContact CG1-CB 4.26Å; V96-P176 HydrophobicContact CG1-CG 3.91Å; L97-P176 VanDerWaalsContact O-CG 3.29Å; L97-P176 WeakPolarHBondContact O-CG 3.37Å; S127-P176 WeakPolarHBondContact O-CD 3.44Å; S127-P176 WeakPolarHBondContact OG-CG 3.16Å; E128-P176 HydrophobicContact CG-CB 4.45Å; P176-Q178 PolarHBondContact O-N 2.78Å; P176-Q178 VanDerWaalsContact O-N 3.08Å | ||
| 177 | Q | 78.8 | Confident | 64.5 | Low | 186 Ų | 186 | 103 Ų | 103 | 87% | 0.869 | 58% | 0.584 | S | S | * | * | trans | -70.9 | 107.8 | 170.3 | -73.5 | -174.2 | -14.1 | 0 | 0 | 109.1 | V175 W179 | V175-Q177 PolarHBondContact O-N 3.45Å; Q177-W179 PolarHBondContact O-N 2.75Å | ||
| 178 | Q | 66 | Low | 61.7 | Low | 76 Ų | 76 | 108 Ų | 108 | 36% | 0.355 | 61% | 0.605 | S | S | . | * | trans | -50.5 | 121.8 | 169.1 | 43.4 | 147.3 | 15.7 | 0 | 0 | 111.4 | R139 P176 Q180 | R139-Q178 VanDerWaalsContact CZ-OE1 3.23Å; P176-Q178 PolarHBondContact O-N 2.78Å; P176-Q178 VanDerWaalsContact O-N 3.08Å; Q178-Q180 PolarHBondContact O-N 3.32Å; Q178-Q180 VanDerWaalsContact OE1-CG 3.28Å | ||
| 179 | W | 41.5 | Very low | 59 | Low | 259 Ų | 259 | 116.5 Ų | 116.5 | 98% | 0.981 | 63% | 0.628 | S | S | * | * | trans | -73.2 | 74.5 | 161.6 | -77.5 | -23.9 | 0 | 0 | 0 | 110.1 | Q177 | Q177-W179 PolarHBondContact O-N 2.75Š| ||
| 180 | Q | 40.8 | Very low | 56.5 | Low | 106 Ų | 106 | 120.1 Ų | 120.1 | 50% | 0.495 | 65% | 0.648 | S | S | . | * | trans | -65 | 133.2 | 147.7 | -81.3 | 176.1 | -40.8 | 0 | 0 | 107.6 | Q178 T182 | Q178-Q180 PolarHBondContact O-N 3.32Å; Q178-Q180 VanDerWaalsContact OE1-CG 3.28Å; Q180-T182 PolarHBondContact O-N 3.04Å | ||
| 181 | P | 29.8 | Very low | 54.1 | Low | 128 Ų | 128 | 122.7 Ų | 122.7 | 83% | 0.831 | 67% | 0.666 | S | S | * | * | trans | -70.6 | 83.4 | 160.8 | 29.9 | -31.5 | 0 | 0 | 0 | 107.5 | A183 | P181-A183 PolarHBondContact O-N 2.74Š| ||
| 182 | T | 31.8 | Very low | 51.7 | Low | 118 Ų | 118 | 124.5 Ų | 124.5 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | trans | -57.3 | 124.7 | 172.2 | -10.5 | 0 | 0 | 0 | 0 | 108 | Q180 T184 | Q180-T182 PolarHBondContact O-N 3.04Å; T182-T184 PolarHBondContact O-N 2.78Å | ||
| 183 | A | 31.4 | Very low | 49 | Very low | 87 Ų | 87 | 125 Ų | 125 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | trans | -57.9 | 136.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P181 T185 | P181-A183 PolarHBondContact O-N 2.74Å; A183-T185 PolarHBondContact O-N 2.94Å | ||
| 184 | T | 28.3 | Very low | 46.7 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 87% | 0.871 | 72% | 0.716 | S | S | * | * | trans | -68.5 | 90.8 | -164.9 | -45.7 | 0 | 0 | 0 | 0 | 113.2 | T182 | T182-T184 PolarHBondContact O-N 2.78Š| ||
| 185 | T | 32.4 | Very low | 44 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | trans | -91.1 | 114.5 | 152.6 | 39.8 | 0 | 0 | 0 | 0 | 108.6 | A183 | A183-T185 PolarHBondContact O-N 2.94Š| ||
| 186 | S | 29.1 | Very low | 41.5 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.5 | -175.9 | 49 | 0 | 0 | 0 | 0 | 112.1 | E188 | S186-E188 PolarHBondContact O-N 3.34Š|
| 187 | P | 40.7 | Very low | 39.3 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123.1 | 153.9 | 29.8 | -30.7 | 0 | 0 | 0 | 108.1 | ||
| 188 | E | 35.6 | Very low | 37.5 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 164 | 169.7 | -163.1 | 169.8 | 120.2 | 0 | 0 | 110.5 | S186 T190 | S186-E188 PolarHBondContact O-N 3.34Å; E188-T190 PolarHBondContact O-N 2.83Å |
| 189 | R | 35 | Very low | 36.3 | Very low | 236 Ų | 236 | 145.3 Ų | 145.3 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 129.6 | -172 | -62.6 | 170.8 | 171.8 | -171.2 | -3.3 | 112.9 | ||
| 190 | T | 37.2 | Very low | 36.1 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -116.6 | 134.6 | 152 | -60.6 | 0 | 0 | 0 | 0 | 109.1 | E188 | E188-T190 PolarHBondContact O-N 2.83Š| ||
| 191 | V | 36.6 | Very low | 36.1 | Very low | 120 Ų | 120 | 136 Ų | 136 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -102.3 | 134.4 | -170.1 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 192 | V | 37.3 | Very low | 36.8 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -163.8 | 136 | 137.3 | -102 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 193 | S | 32.9 | Very low | 37.5 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | 49 | 92.7 | 139.7 | -54.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 194 | H | 42.1 | Very low | 37.9 | Very low | 205 Ų | 205 | 139 Ų | 139 | 95% | 0.949 | 81% | 0.808 | S | S | * | * | -133.9 | 139.8 | 121 | -79.2 | -72.9 | 0 | 0 | 0 | 108 | |||||
| 195 | G | 33.7 | Very low | 38.8 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -129.2 | 139.4 | -165 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 196 | S | 40.6 | Very low | 39.1 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -160.1 | 132.2 | 157.2 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | Q | 44 | Very low | 40.1 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | 71.8 | 125.6 | 149.2 | -76.2 | 173.3 | -14.4 | 0 | 0 | 122.1 | ||||
| 198 | E | 41 | Very low | 40.2 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 67% | 0.673 | 81% | 0.814 | S | S | * | * | trans | 79.3 | 106.3 | 145.8 | -57.8 | -145.1 | 118.6 | 0 | 0 | 123.9 | ||||
| 199 | R | 41.2 | Very low | 40.6 | Very low | 226 Ų | 226 | 135.3 Ų | 135.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | 56.7 | 119.1 | 126.9 | -55.8 | 178.5 | -166.1 | -131.6 | 4.1 | 121 | |||||
| 200 | G | 36.9 | Very low | 41.3 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 147.8 | 128.2 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 201 | A | 41.5 | Very low | 41.5 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 10.7 | 119.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 202 | V | 44.6 | Very low | 41.7 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | 92 | 111.2 | 64 | 162.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 203 | M | 45.2 | Very low | 41.9 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | 55 | 139.6 | 149.7 | -59.4 | -68.6 | -75 | 0 | 0 | 121.8 | ||||
| 204 | G | 40.4 | Very low | 42.3 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 163.9 | 99.8 | 161 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 205 | S | 46.6 | Very low | 42.4 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -49.5 | 147 | -179.4 | -77.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 206 | D | 38.9 | Very low | 42.7 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | 34 | 121.9 | 123.7 | -38.5 | -49.4 | 0 | 0 | 0 | 121 | |||||
| 207 | S | 49.6 | Very low | 42.9 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 92% | 0.923 | 81% | 0.812 | S | S | * | * | trans | -165.4 | 143.1 | 137.9 | -83.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 208 | A | 44.3 | Very low | 42.8 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -123.5 | 133.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 209 | S | 44 | Very low | 42.6 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -149.8 | 107 | 174.9 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 210 | V | 49.8 | Very low | 42.8 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | trans | -4 | 130.7 | 156.7 | -69.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 211 | T | 39.9 | Very low | 42.9 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | 22.6 | 120.2 | 139 | 60.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 212 | S | 41.1 | Very low | 42.9 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -151 | 116.5 | 142 | -80.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 213 | A | 42.7 | Very low | 42.9 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | 85.4 | 135.5 | 87.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 214 | S | 40 | Very low | 42.5 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -81.7 | 141.4 | -164 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 215 | S | 44.5 | Very low | 42.8 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -135.3 | 139 | 156.1 | 56.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 216 | G | 39.4 | Very low | 42.5 | Very low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -105.3 | 139.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 217 | F | 45.9 | Very low | 42.6 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 75% | 0.746 | 82% | 0.82 | S | S | * | * | trans | -152.3 | 125.1 | 168.7 | 70.3 | 131.4 | 0 | 0 | 0 | 105.9 | ||||
| 218 | E | 40.4 | Very low | 42.1 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | 62 | 112.1 | 65.2 | -67.4 | -146.5 | 110.7 | 0 | 0 | 114.3 | |||||
| 219 | S | 38.4 | Very low | 41.6 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | 59.4 | 78 | 144.6 | -57.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 220 | L | 43.8 | Very low | 41.4 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -81.8 | 131.7 | 154.9 | -72.9 | -178.5 | 0 | 0 | 0 | 111.5 | ||||
| 221 | S | 40.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -87 | 161.3 | -171.2 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 222 | R | 40.5 | Very low | 40.7 | Very low | 240 Ų | 240 | 142 Ų | 142 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -88.1 | 112.7 | -179.1 | -170.7 | -175.6 | -57.7 | -171.2 | 3.6 | 110.2 | ||||
| 223 | M | 46.1 | Very low | 40.6 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 80% | 0.803 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 138.4 | 174.3 | -80 | -67.4 | 178.7 | 0 | 0 | 112.1 | ||
| 224 | P | 36.8 | Very low | 40.4 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86 | 149.4 | 169.8 | 34.9 | -32.9 | 0 | 0 | 0 | 111.5 | ||
| 225 | V | 45.3 | Very low | 40.4 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 131.7 | 172 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 226 | Q | 41.4 | Very low | 40.4 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 151.9 | 174.5 | -65.1 | 176.9 | -67.7 | 0 | 0 | 111.1 | ||
| 227 | V | 39.9 | Very low | 40.4 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -119.4 | 121 | -179.1 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 228 | P | 39.3 | Very low | 40.5 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -74.8 | 152.2 | 167.3 | -13.9 | 30.2 | 0 | 0 | 0 | 111.6 | ||||
| 229 | S | 33.6 | Very low | 40.5 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -138.8 | 112.6 | -173.4 | 164.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 230 | E | 41.4 | Very low | 40.7 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -148 | 151.1 | 171.1 | -65.3 | -175.8 | -164.9 | 0 | 0 | 109.6 | ||||
| 231 | T | 38.9 | Very low | 40.8 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | -157.9 | 141.4 | -27.9 | -80.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 232 | M | 35.4 | Very low | 40.9 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 98% | 0.975 | 79% | 0.794 | S | S | * | * | trans | -110.2 | 135.8 | 180 | -98.6 | -167.2 | 170.7 | 0 | 0 | 114 | ||||
| 233 | G | 39.1 | Very low | 41 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 173.5 | 163.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 234 | A | 37.9 | Very low | 40.9 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | cis | 179 | 162.8 | -18.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 235 | N | 41.2 | Very low | 41.3 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 91 | 116.6 | -173.2 | -51.9 | -17 | 0 | 0 | 0 | 113.2 | ||||
| 236 | V | 44 | Very low | 41.3 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | cis | 82.3 | 112.9 | 30.1 | -170.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 237 | G | 39.3 | Very low | 41.3 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 158.6 | 104.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 238 | P | 46.7 | Very low | 41.4 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -102.6 | -165.7 | -174.1 | 40.3 | -35.6 | 0 | 0 | 0 | 114.3 | ||||
| 239 | D | 42.4 | Very low | 41.3 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 79.8 | 143.5 | 173.2 | -54.6 | -29.8 | 0 | 0 | 0 | 116.1 | ||||
| 240 | F | 41.6 | Very low | 41.3 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | -153.8 | 130 | 6.3 | -154.1 | -122.5 | 0 | 0 | 0 | 114 | ||||
| 241 | I | 46.4 | Very low | 41.1 | Very low | 132 Ų | 132 | 137 Ų | 137 | 68% | 0.677 | 77% | 0.773 | S | S | * | * | trans | 53.4 | 132.4 | 142.7 | -66.5 | -165 | 0 | 0 | 0 | 124.4 | ||||
| 242 | A | 41.5 | Very low | 41.1 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | 72.4 | 149.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 243 | S | 43.3 | Very low | 41.3 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | cis | -168.9 | 167.3 | -17.6 | -100 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 244 | S | 43.1 | Very low | 41.1 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 73.1 | 119.5 | 172.6 | -63.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 245 | R | 45.5 | Very low | 41.1 | Very low | 234 Ų | 234 | 141.3 Ų | 141.3 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | 60.9 | 125.4 | 74.3 | -63.6 | 176.5 | 75 | -179.2 | 6.4 | 112.3 | |||||
| 246 | S | 45.6 | Very low | 40.8 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | -167.3 | 179.6 | -2.3 | 46.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 247 | D | 40.8 | Very low | 40.7 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | cis | -158.7 | -172.4 | 17.7 | -144.9 | -28.6 | 0 | 0 | 0 | 113.3 | ||||
| 248 | L | 42 | Very low | 40.6 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -58.8 | 136.3 | -177.6 | -65.2 | 138.3 | 0 | 0 | 0 | 116.9 | ||||
| 249 | R | 36.7 | Very low | 40 | Very low | 227 Ų | 227 | 143.6 Ų | 143.6 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | 176.3 | 139 | 102 | -97 | -179.3 | 176.8 | -163.2 | -1.2 | 115.7 | |||||
| 250 | R | 35.4 | Very low | 40 | Very low | 225 Ų | 225 | 143.2 Ų | 143.2 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | trans | 39.1 | 112.5 | 153.2 | -67 | -173.9 | 169.8 | -149.9 | -5.7 | 119.2 | ||||
| 251 | S | 35.4 | Very low | 40.3 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | cis | 101.5 | 114.2 | 31.7 | 73.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 252 | M | 40.1 | Very low | 39.8 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | trans | 55.4 | 114.9 | 161.5 | -45.2 | -41.4 | -167.4 | 0 | 0 | 117.4 | ||||
| 253 | A | 39.5 | Very low | 40 | Very low | 97 Ų | 97 | 148.5 Ų | 148.5 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | cis | 81.8 | 130.2 | 41.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 254 | D | 33.7 | Very low | 39.7 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -77.3 | 146.1 | 177.5 | -177.1 | 26.1 | 0 | 0 | 0 | 110.6 | ||||
| 255 | D | 39.3 | Very low | 39.9 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -159.9 | 152.3 | 157.9 | -142 | -25.4 | 0 | 0 | 0 | 113.1 | ||||
| 256 | T | 34.6 | Very low | 39.6 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -109.2 | 128.3 | -171.2 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 257 | T | 41.1 | Very low | 39.7 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -153.5 | 106.3 | 172.5 | -68.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 258 | S | 37.8 | Very low | 39.9 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | 78.4 | 147.8 | 72.4 | -163.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 259 | H | 33.6 | Very low | 40.1 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -82.5 | 142.3 | -153.4 | -43.8 | -89.1 | 0 | 0 | 0 | 114.7 | ||||
| 260 | C | 42.5 | Very low | 40.5 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 91% | 0.905 | 79% | 0.792 | S | S | * | * | trans | -121.7 | 142.8 | 155.8 | -83.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 261 | R | 49.4 | Very low | 40.8 | Very low | 240 Ų | 240 | 140.5 Ų | 140.5 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -100.8 | 151 | -179.1 | -76.3 | 179.9 | 170.1 | 175.5 | -3.2 | 111.4 | ||||
| 262 | N | 34.5 | Very low | 41.1 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -59.6 | 137.7 | 170.1 | 177.9 | 35.8 | 0 | 0 | 0 | 111.8 | ||||
| 263 | S | 45.2 | Very low | 41.2 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -136.3 | 112.7 | 166.7 | 45.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 264 | S | 38.4 | Very low | 41.6 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 132.2 | 179.1 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 265 | Q | 47.2 | Very low | 42.3 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -122.8 | 142 | 147.6 | -80.5 | -161.8 | -4.4 | 0 | 0 | 109.7 | ||||
| 266 | A | 38.6 | Very low | 42.6 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -120 | 170.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 267 | S | 47.3 | Very low | 43.2 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | 92.3 | 136.3 | 164.4 | 90.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 268 | Q | 45.9 | Very low | 43.5 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | 86.4 | 128.7 | 148.4 | -67.7 | 170.6 | 96.6 | 0 | 0 | 120.9 | ||||
| 269 | Q | 46.2 | Very low | 43.9 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | 69.7 | 142.8 | 155.2 | -63.2 | 166.5 | 23.9 | 0 | 0 | 117.9 | ||||
| 270 | S | 45.7 | Very low | 44.3 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | cis | -161.2 | 172.3 | -22 | 44.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 271 | Q | 41.7 | Very low | 44.6 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -63.1 | 141.1 | -179.9 | -62.7 | 172.5 | -18.8 | 0 | 0 | 113.3 | ||||
| 272 | M | 40.7 | Very low | 44.2 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | -155.6 | 145.1 | 128.8 | -161.3 | 60.8 | 106.1 | 0 | 0 | 109.7 | |||||
| 273 | S | 41.5 | Very low | 45.2 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -107.2 | 155.2 | 175.9 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 274 | D | 48.9 | Very low | 45.2 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | trans | -162.6 | 150.7 | 148.7 | -115.7 | -19.2 | 0 | 0 | 0 | 116.7 | ||||
| 275 | Y | 48.5 | Very low | 45.4 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | 51.1 | 121.2 | 168.3 | -57 | -66 | 0 | 0 | 0 | 123.6 | ||||
| 276 | P | 46.2 | Very low | 45.3 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -104.8 | 163.4 | 161.4 | 39.1 | -31.7 | 0 | 0 | 0 | 113.5 | ||||
| 277 | A | 47.1 | Very low | 45.4 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -143.3 | 135.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 278 | S | 47.1 | Very low | 45.1 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -57.8 | 145.7 | -169.2 | -48 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 279 | A | 45.5 | Very low | 44.8 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -149.4 | 138.2 | 141.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 280 | S | 43.4 | Very low | 44.6 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -83.8 | 156.6 | -171.3 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 281 | H | 48.1 | Very low | 44.5 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | 176.1 | 108.7 | 107.4 | -87.4 | -59.3 | 0 | 0 | 0 | 112.2 | |||||
| 282 | S | 41.5 | Very low | 44.4 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -100.9 | 135.9 | 175.6 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 283 | R | 53.9 | Low | 44.4 | Very low | 245 Ų | 245 | 133 Ų | 133 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -140.1 | 136.5 | 154.1 | -80.3 | -161 | 165.1 | -159.4 | -5.7 | 111.2 | ||||
| 284 | Q | 45.5 | Very low | 44.5 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 172.9 | 172 | -66.6 | 144.8 | -51.1 | 0 | 0 | 108.9 | ||||
| 285 | S | 43.2 | Very low | 44.3 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | cis | -161.5 | 173.4 | 43.8 | -60 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 286 | S | 44.9 | Very low | 44 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -99.6 | 157.4 | 178.7 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 287 | A | 41.6 | Very low | 43.9 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | 164.6 | 140.4 | 123.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 288 | S | 40.2 | Very low | 43.6 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | 48 | 119.7 | 141.5 | 63.6 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 289 | S | 40.4 | Very low | 43.5 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 86.3 | 121.3 | 118.2 | 69.3 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 290 | S | 40.2 | Very low | 43.2 | Very low | 87 Ų | 87 | 135 Ų | 135 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | 82.6 | 159.1 | 130.2 | 60.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 291 | H | 43.8 | Very low | 43.1 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 75.7 | 110.5 | 177.5 | -42.1 | -70.9 | 0 | 0 | 0 | 114.9 | ||||
| 292 | I | 40 | Very low | 43 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | cis | 88.9 | 138.9 | 35.1 | -55.6 | 173.2 | 0 | 0 | 0 | 113.3 | ||||
| 293 | H | 42 | Very low | 43.3 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | 81.6 | 141.5 | -177.5 | -47.5 | -71.4 | 0 | 0 | 0 | 116 | ||||
| 294 | R | 43.5 | Very low | 42.6 | Very low | 231 Ų | 231 | 129.9 Ų | 129.9 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | cis | -156.8 | 166 | -23.3 | -122 | -161.4 | 163.7 | 138 | -4 | 108.9 | ||||
| 295 | P | 44.9 | Very low | 42.3 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -111.4 | 173.4 | -165.1 | 42.6 | -36.9 | 0 | 0 | 0 | 116.9 | ||||
| 296 | G | 41 | Very low | 42.2 | Very low | 63 Ų | 63 | 126.6 Ų | 126.6 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | 166.5 | 149 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 297 | D | 43.3 | Very low | 42.1 | Very low | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | cis | -168.3 | 162.4 | -1.8 | -101.6 | -65.6 | 0 | 0 | 0 | 106.8 | ||||
| 298 | S | 41.8 | Very low | 42.1 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -165 | -155.1 | -9.1 | -168 | 0 | 0 | 0 | 0 | 108 | ||||
| 299 | L | 44.3 | Very low | 42.2 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | 61.6 | 86.9 | 171.2 | -52 | 177.4 | 0 | 0 | 0 | 115.2 | ||||
| 300 | A | 40.8 | Very low | 42.2 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | 71.5 | 138.3 | 71.5 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 301 | T | 40.5 | Very low | 42.4 | Very low | 119 Ų | 119 | 132 Ų | 132 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | cis | 169.5 | 174.6 | -4.7 | -84.9 | 0 | 0 | 0 | 0 | 104 | ||||
| 302 | I | 45.3 | Very low | 42.1 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 92.3 | 123.9 | 179.8 | -59.8 | 158.5 | 0 | 0 | 0 | 113.1 | ||||
| 303 | F | 47.6 | Very low | 42.3 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | cis | -152.7 | 172.6 | -21.9 | -99.4 | -34.1 | 0 | 0 | 0 | 108.7 | ||||
| 304 | P | 40.3 | Very low | 42.1 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -112.6 | 162.1 | -150.3 | 41.7 | -35.7 | 0 | 0 | 0 | 117.9 | ||||
| 305 | S | 38.2 | Very low | 42.3 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 24.4 | 117.7 | 139.9 | -166.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 306 | C | 41.6 | Very low | 41.9 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -119 | 139 | 160.8 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 307 | K | 42.4 | Very low | 42.1 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -114 | 131.3 | 173.3 | -72.6 | -179.1 | 177.1 | 178 | 0 | 111.1 | ||||
| 308 | G | 41.3 | Very low | 42 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -141.4 | 135.2 | 160 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 309 | S | 43.2 | Very low | 42.2 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | cis | 68.6 | 118.7 | 27.4 | -145.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 310 | A | 39.4 | Very low | 42.3 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | cis | -161.8 | 176.3 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 311 | V | 45.1 | Very low | 42.6 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | 57.3 | 109.6 | 154.7 | 176.4 | 0 | 0 | 0 | 0 | 118.1 | K313 | V311-K313 HydrophobicContact CG1-CB 4.06Š| ||
| 312 | K | 38.1 | Very low | 43.5 | Very low | 215 Ų | 215 | 139.2 Ų | 139.2 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 127.6 | 146.1 | -79.9 | -177.9 | 172.7 | -178.1 | 0 | 108.6 | ||||
| 313 | K | 44 | Very low | 44.1 | Very low | 182 Ų | 182 | 137 Ų | 137 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -119.7 | 127 | 170 | -163.6 | 174.8 | -176.2 | -178 | 0 | 109.5 | V311 | V311-K313 HydrophobicContact CG1-CB 4.06Š| ||
| 314 | V | 37.4 | Very low | 44.4 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -79.6 | 128 | 178 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 315 | V | 48.2 | Very low | 45.5 | Very low | 119 Ų | 119 | 139 Ų | 139 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -139.8 | 127 | 164.1 | -180 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 316 | K | 36.1 | Very low | 46.3 | Very low | 193 Ų | 193 | 138 Ų | 138 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -97 | 143.2 | 160.4 | -69.7 | -177.6 | 174.6 | -174.4 | 0 | 108.3 | ||||
| 317 | P | 45.8 | Very low | 47.4 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -115.3 | 178.8 | 142.5 | 32 | -19.8 | 0 | 0 | 0 | 110.9 | ||||
| 318 | D | 41.7 | Very low | 48.9 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -85.7 | 169.3 | -159.2 | -76.5 | -71.5 | 0 | 0 | 0 | 117.3 | N320 | D318-N320 PolarHBondContact O-N 3.01Š| ||
| 319 | V | 45.2 | Very low | 50.7 | Low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -60.1 | 124.5 | 171.9 | 177 | 0 | 0 | 0 | 0 | 111 | ||||
| 320 | N | 47.3 | Very low | 52.6 | Low | 143 Ų | 143 | 137.7 Ų | 137.7 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -166.5 | 113.4 | 138.9 | -98.6 | -33.9 | 0 | 0 | 0 | 112.7 | D318 | D318-N320 PolarHBondContact O-N 3.01Š| ||
| 321 | T | 46.8 | Very low | 54.9 | Low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | trans | 31.7 | 85.7 | 148.7 | -43.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 322 | V | 58 | Low | 56.9 | Low | 127 Ų | 127 | 133.9 Ų | 133.9 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -141 | 138 | 148.6 | -149.3 | 0 | 0 | 0 | 0 | 108 | E324 | V322-E324 PolarHBondContact O-N 2.89Š| ||
| 323 | P | 57.9 | Low | 59.3 | Low | 98 Ų | 98 | 126.3 Ų | 126.3 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | trans | -67 | 117.4 | 168.9 | -17.6 | 31.7 | 0 | 0 | 0 | 109.7 | F325 | P323-F325 HydrophobicContact CB-CD2 4.18Å; P323-F325 HydrophobicContact CB-CE2 3.97Å; P323-F325 PolarHBondContact O-N 2.85Å | ||
| 324 | E | 55.4 | Low | 61.4 | Low | 194 Ų | 194 | 124.1 Ų | 124.1 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | trans | -73.6 | 90.5 | 175.9 | -171.4 | 174.9 | -175.7 | 0 | 0 | 109.4 | V322 D326 | V322-E324 PolarHBondContact O-N 2.89Å; E324-D326 PolarHBondContact O-N 2.94Å | ||
| 325 | F | 62.8 | Low | 63.8 | Low | 130 Ų | 130 | 121.3 Ų | 121.3 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | trans | -69.5 | 116.9 | 169.8 | -82.1 | -96.7 | 0 | 0 | 0 | 109.4 | P323 S327 | P323-F325 HydrophobicContact CB-CD2 4.18Å; P323-F325 HydrophobicContact CB-CE2 3.97Å; P323-F325 PolarHBondContact O-N 2.85Å; F325-S327 PolarHBondContact O-N 2.88Å | ||
| 326 | D | 54 | Low | 65.7 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | trans | -43.1 | 119.2 | 167.4 | 175.5 | -17 | 0 | 0 | 0 | 109.7 | E324 S328 R329 | E324-D326 PolarHBondContact O-N 2.94Å; D326-S328 VanDerWaalsContact CG-OG 3.24Å; D326-S328 PolarHBondContact O-N 2.81Å; D326-S328 WeakPolarHBondContact OD1-CB 3.46Å; D326-S328 PolarHBondContact OD1-N 2.88Å; D326-S328 PolarHBondContact OD1-OG 2.84Å; D326-S328 PolarHBondContact OD2-OG 2.84Å; D326-R329 HydrophobicContact CB-CG 4.11Å; D326-R329 WeakPolarHBondContact O-CB 3.44Å; D326-R329 PolarHBondContact O-N 2.79Å | ||
| 327 | S | 65.4 | Low | 68.2 | Low | 134 Ų | 134 | 115 Ų | 115 | 94% | 0.937 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 2.5 | -172.4 | -44.1 | 0 | 0 | 0 | 0 | 114.4 | F325 | F325-S327 PolarHBondContact O-N 2.88Š|
| 328 | S | 75 | Confident | 70.2 | Confident | 96 Ų | 96 | 114.9 Ų | 114.9 | 67% | 0.671 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -5.7 | 168.9 | 70.2 | 0 | 0 | 0 | 0 | 114.4 | D326 | D326-S328 VanDerWaalsContact CG-OG 3.24Å; D326-S328 PolarHBondContact O-N 2.81Å; D326-S328 WeakPolarHBondContact OD1-CB 3.46Å; D326-S328 PolarHBondContact OD1-N 2.88Å; D326-S328 PolarHBondContact OD1-OG 2.84Å; D326-S328 PolarHBondContact OD2-OG 2.84Å |
| 329 | R | 78.8 | Confident | 72.3 | Confident | 183 Ų | 183 | 112.2 Ų | 112.2 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 127.6 | -178.2 | -66.9 | -174.9 | 174.7 | -172.4 | -5.8 | 111.9 | D326 | D326-R329 HydrophobicContact CB-CG 4.11Å; D326-R329 WeakPolarHBondContact O-CB 3.44Å; D326-R329 PolarHBondContact O-N 2.79Å |
| 330 | V | 83.1 | Confident | 74.3 | Confident | 113 Ų | 113 | 111 Ų | 111 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 130.2 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | A332 L335 | V330-A332 PolarHBondContact O-N 3.31Å; V330-L335 HydrophobicContact CG1-CB 4.15Å; V330-L335 HydrophobicContact CG1-CD2 4.27Å |
| 331 | D | 86.3 | Confident | 75.9 | Confident | 62 Ų | 62 | 111.2 Ų | 111.2 | 33% | 0.332 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -73.6 | 118.3 | 165.4 | -177.3 | 8.1 | 0 | 0 | 0 | 109.3 | A333 E334 L335 | D331-A333 PolarHBondContact O-N 3.32Å; D331-A333 WeakPolarHBondContact OD1-CB 3.42Å; D331-A333 PolarHBondContact OD1-N 3.36Å; D331-E334 HydrophobicContact CB-CB 3.99Å; D331-E334 PolarHBondContact O-N 2.96Å; D331-L335 WeakPolarHBondContact O-CB 3.41Å; D331-L335 PolarHBondContact O-N 2.98Å; D331-L335 VanDerWaalsContact O-N 3.07Å |
| 332 | A | 86.9 | Confident | 77.4 | Confident | 62 Ų | 62 | 109.9 Ų | 109.9 | 51% | 0.512 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -28.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V330 I336 | V330-A332 PolarHBondContact O-N 3.31Å; A332-I336 VanDerWaalsContact O-CB 3.28Å; A332-I336 WeakPolarHBondContact O-CB 3.23Å; A332-I336 VanDerWaalsContact O-CD1 3.31Å; A332-I336 WeakPolarHBondContact O-CD1 3.13Å; A332-I336 WeakPolarHBondContact O-CG1 3.39Å; A332-I336 PolarHBondContact O-N 3.41Å |
| 333 | A | 89.7 | Confident | 78.1 | Confident | 57 Ų | 57 | 112.2 Ų | 112.2 | 47% | 0.471 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.1 | -48.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D331 I336 T337 | D331-A333 PolarHBondContact O-N 3.32Å; D331-A333 WeakPolarHBondContact OD1-CB 3.42Å; D331-A333 PolarHBondContact OD1-N 3.36Å; A333-I336 PolarHBondContact O-N 2.76Å; A333-T337 WeakPolarHBondContact O-CG2 2.95Å; A333-T337 PolarHBondContact O-N 2.89Å; A333-T337 PolarHBondContact O-OG1 2.63Å |
| 334 | E | 87.7 | Confident | 78.2 | Confident | 135 Ų | 135 | 115.5 Ų | 115.5 | 63% | 0.631 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56.5 | -52.3 | 174.8 | -171.8 | 168.3 | -142.7 | 0 | 0 | 111.2 | D331 I336 T337 E338 | D331-E334 HydrophobicContact CB-CB 3.99Å; D331-E334 PolarHBondContact O-N 2.96Å; E334-I336 VanDerWaalsContact C-N 3.33Å; E334-I336 PolarHBondContact O-N 3.17Å; E334-T337 WeakPolarHBondContact O-CA 3.26Å; E334-T337 PolarHBondContact O-N 2.87Å; E334-T337 PolarHBondContact O-OG1 3.44Å; E334-E338 PolarHBondContact O-N 2.86Å |
| 335 | L | 88 | Confident | 78.1 | Confident | 79 Ų | 79 | 111 Ų | 111 | 41% | 0.414 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.3 | -41.6 | 178 | -172.1 | 75.2 | 0 | 0 | 0 | 112.7 | V330 D331 E338 L339 | V330-L335 HydrophobicContact CG1-CB 4.15Å; V330-L335 HydrophobicContact CG1-CD2 4.27Å; D331-L335 WeakPolarHBondContact O-CB 3.41Å; D331-L335 PolarHBondContact O-N 2.98Å; D331-L335 VanDerWaalsContact O-N 3.07Å; L335-E338 PolarHBondContact O-N 2.98Å; L335-L339 HydrophobicContact CG-CD1 4.14Å; L335-L339 WeakPolarHBondContact O-CB 3.41Å; L335-L339 VanDerWaalsContact O-CG 3.3Å; L335-L339 WeakPolarHBondContact O-CG 3.43Å; L335-L339 PolarHBondContact O-N 3.38Å |
| 336 | I | 87.9 | Confident | 77.6 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -38.2 | 175.7 | -74 | 167.1 | 0 | 0 | 0 | 110.9 | A332 A333 E334 L340 | A332-I336 VanDerWaalsContact O-CB 3.28Å; A332-I336 WeakPolarHBondContact O-CB 3.23Å; A332-I336 VanDerWaalsContact O-CD1 3.31Å; A332-I336 WeakPolarHBondContact O-CD1 3.13Å; A332-I336 WeakPolarHBondContact O-CG1 3.39Å; A332-I336 PolarHBondContact O-N 3.41Å; A333-I336 PolarHBondContact O-N 2.76Å; E334-I336 VanDerWaalsContact C-N 3.33Å; E334-I336 PolarHBondContact O-N 3.17Å; I336-L340 HydrophobicContact CG2-CD1 3.73Å; I336-L340 HydrophobicContact CG2-CG 4.37Å; I336-L340 VanDerWaalsContact O-CB 3.28Å; I336-L340 WeakPolarHBondContact O-CB 3.21Å; I336-L340 VanDerWaalsContact O-CG 3.22Å; I336-L340 WeakPolarHBondContact O-CG 3.43Å; I336-L340 PolarHBondContact O-N 2.79Å |
| 337 | T | 89 | Confident | 77.5 | Confident | 83 Ų | 83 | 108.5 Ų | 108.5 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.2 | -29.4 | 176.8 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | A333 E334 K341 | A333-T337 WeakPolarHBondContact O-CG2 2.95Å; A333-T337 PolarHBondContact O-N 2.89Å; A333-T337 PolarHBondContact O-OG1 2.63Å; E334-T337 WeakPolarHBondContact O-CA 3.26Å; E334-T337 PolarHBondContact O-N 2.87Å; E334-T337 PolarHBondContact O-OG1 3.44Å; T337-K341 WeakPolarHBondContact O-CG 3.38Å; T337-K341 PolarHBondContact O-N 3.43Å; T337-K341 VanDerWaalsContact O-N 3.1Å |
| 338 | E | 87 | Confident | 77 | Confident | 111 Ų | 111 | 107.7 Ų | 107.7 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.8 | -53.4 | 171.5 | -171.6 | 172.4 | -141.1 | 0 | 0 | 110.4 | E334 L335 L340 K341 D342 | E334-E338 PolarHBondContact O-N 2.86Å; L335-E338 PolarHBondContact O-N 2.98Å; E338-L340 VanDerWaalsContact C-N 3.27Å; E338-L340 PolarHBondContact O-N 2.88Å; E338-K341 WeakPolarHBondContact O-CB 3.4Å; E338-K341 PolarHBondContact O-N 3.33Å; E338-D342 PolarHBondContact O-N 2.97Å |
| 339 | L | 86.2 | Confident | 75.7 | Confident | 105 Ų | 105 | 107.4 Ų | 107.4 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.8 | -35.4 | 176.6 | -69.3 | 168.9 | 0 | 0 | 0 | 113.1 | L335 Y343 | L335-L339 HydrophobicContact CG-CD1 4.14Å; L335-L339 WeakPolarHBondContact O-CB 3.41Å; L335-L339 VanDerWaalsContact O-CG 3.3Å; L335-L339 WeakPolarHBondContact O-CG 3.43Å; L335-L339 PolarHBondContact O-N 3.38Å; L339-Y343 WeakPolarHBondContact O-CB 3.23Å; L339-Y343 PolarHBondContact O-N 2.99Å |
| 340 | L | 86.2 | Confident | 74.2 | Confident | 101 Ų | 101 | 105 Ų | 105 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.4 | -27.8 | 175.7 | -76.3 | 170.9 | 0 | 0 | 0 | 113.6 | I336 E338 R344 | I336-L340 HydrophobicContact CG2-CD1 3.73Å; I336-L340 HydrophobicContact CG2-CG 4.37Å; I336-L340 VanDerWaalsContact O-CB 3.28Å; I336-L340 WeakPolarHBondContact O-CB 3.21Å; I336-L340 VanDerWaalsContact O-CG 3.22Å; I336-L340 WeakPolarHBondContact O-CG 3.43Å; I336-L340 PolarHBondContact O-N 2.79Å; E338-L340 VanDerWaalsContact C-N 3.27Å; E338-L340 PolarHBondContact O-N 2.88Å; L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 PolarHBondContact O-N 2.79Å; L340-R344 VanDerWaalsContact O-N 3.17Å |
| 341 | K | 82 | Confident | 72.5 | Confident | 147 Ų | 147 | 108.8 Ų | 108.8 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.5 | -52.7 | 169 | -84.4 | 173.7 | 175.4 | 172 | 0 | 110.1 | T337 E338 Y343 R344 T345 | T337-K341 WeakPolarHBondContact O-CG 3.38Å; T337-K341 PolarHBondContact O-N 3.43Å; T337-K341 VanDerWaalsContact O-N 3.1Å; E338-K341 WeakPolarHBondContact O-CB 3.4Å; E338-K341 PolarHBondContact O-N 3.33Å; K341-Y343 PolarHBondContact O-N 2.83Å; K341-R344 PolarHBondContact O-N 2.85Å; K341-T345 WeakPolarHBondContact O-CG2 3.43Å; K341-T345 PolarHBondContact O-N 3.27Å; K341-T345 PolarHBondContact O-OG1 2.91Å |
| 342 | D | 77.4 | Confident | 70.7 | Confident | 108 Ų | 108 | 113 Ų | 113 | 58% | 0.578 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.2 | -30 | -178.1 | -72.8 | -2 | 0 | 0 | 0 | 112.5 | E338 T345 | E338-D342 PolarHBondContact O-N 2.97Å; D342-T345 PolarHBondContact O-OG1 2.77Å; D342-T345 VanDerWaalsContact O-OG1 3.1Å |
| 343 | Y | 72.5 | Confident | 68.6 | Low | 175 Ų | 175 | 119.7 Ų | 119.7 | 69% | 0.686 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.6 | -47.1 | 171.2 | -165.7 | -102.7 | 0 | 0 | 0 | 112.2 | L339 K341 T346 | L339-Y343 WeakPolarHBondContact O-CB 3.23Å; L339-Y343 PolarHBondContact O-N 2.99Å; K341-Y343 PolarHBondContact O-N 2.83Å; Y343-T346 PolarHBondContact O-N 3.46Å; Y343-T346 PolarHBondContact O-OG1 2.88Å |
| 344 | R | 61 | Low | 66.8 | Low | 168 Ų | 168 | 122.3 Ų | 122.3 | 63% | 0.634 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.2 | -25.6 | -177.4 | -90.8 | -169.1 | 169.4 | 142.1 | -0.8 | 115.2 | L340 K341 T346 A347 D348 | L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 PolarHBondContact O-N 2.79Å; L340-R344 VanDerWaalsContact O-N 3.17Å; K341-R344 PolarHBondContact O-N 2.85Å; R344-T346 PolarHBondContact O-N 2.9Å; R344-A347 PolarHBondContact O-N 3.15Å; R344-D348 PolarHBondContact O-N 2.66Å |
| 345 | T | 52.5 | Low | 65 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -8.3 | 174.3 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | K341 D342 | K341-T345 WeakPolarHBondContact O-CG2 3.43Å; K341-T345 PolarHBondContact O-N 3.27Å; K341-T345 PolarHBondContact O-OG1 2.91Å; D342-T345 PolarHBondContact O-OG1 2.77Å; D342-T345 VanDerWaalsContact O-OG1 3.1Å |
| 346 | T | 52.1 | Low | 63.3 | Low | 105 Ų | 105 | 121.9 Ų | 121.9 | 64% | 0.644 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -4.1 | 169.6 | 70.1 | 0 | 0 | 0 | 0 | 114.7 | Y343 R344 | Y343-T346 PolarHBondContact O-N 3.46Å; Y343-T346 PolarHBondContact O-OG1 2.88Å; R344-T346 PolarHBondContact O-N 2.9Å |
| 347 | A | 53.1 | Low | 61.9 | Low | 56 Ų | 56 | 119.4 Ų | 119.4 | 46% | 0.463 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.1 | -32.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R344 | R344-A347 PolarHBondContact O-N 3.15Š|
| 348 | D | 54.7 | Low | 60.7 | Low | 118 Ų | 118 | 119.3 Ų | 119.3 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -104 | -0.3 | -171.3 | -62.3 | -47.5 | 0 | 0 | 0 | 114.6 | R344 D350 | R344-D348 PolarHBondContact O-N 2.66Å; D348-D350 PolarHBondContact O-N 3.42Å |
| 349 | D | 47.3 | Very low | 60.2 | Low | 89 Ų | 89 | 123 Ų | 123 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | trans | -84 | 48.6 | 175.7 | -158.7 | 33.2 | 0 | 0 | 0 | 112 | ||||
| 350 | D | 47.7 | Very low | 60.2 | Low | 132 Ų | 132 | 124 Ų | 124 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 146 | 169.6 | -96.9 | -34.7 | 0 | 0 | 0 | 110.3 | D348 | D348-D350 PolarHBondContact O-N 3.42Š|
| 351 | H | 48.2 | Very low | 60.2 | Low | 194 Ų | 194 | 122.8 Ų | 122.8 | 90% | 0.898 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81 | 9.1 | -174.9 | -46.6 | -55 | 0 | 0 | 0 | 117.9 | ||
| 352 | K | 46.6 | Very low | 60.5 | Low | 150 Ų | 150 | 119.4 Ų | 119.4 | 65% | 0.652 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -103.6 | 137.8 | 153.6 | -89.2 | 177.1 | -175.7 | 159.6 | 0 | 112.3 | I354 | K352-I354 PolarHBondContact O-N 2.69Š|
| 353 | E | 43.8 | Very low | 61 | Low | 202 Ų | 202 | 114.5 Ų | 114.5 | 94% | 0.944 | 58% | 0.584 | S | S | * | * | trans | -74.7 | 71.4 | -179.6 | -168.3 | 170.2 | -153.8 | 0 | 0 | 110.3 | D355 | E353-D355 PolarHBondContact O-N 3.21Š| ||
| 354 | I | 52 | Low | 61.7 | Low | 112 Ų | 112 | 109.4 Ų | 109.4 | 57% | 0.574 | 57% | 0.568 | S | S | * | * | trans | -67.8 | 116.6 | 172.1 | -64 | 178 | 0 | 0 | 0 | 107.9 | K352 S356 S358 | K352-I354 PolarHBondContact O-N 2.69Å; I354-S356 PolarHBondContact O-N 3.11Å; I354-S358 WeakPolarHBondContact CG2-OG 3.33Å | ||
| 355 | D | 49.7 | Very low | 62.8 | Low | 126 Ų | 126 | 101.5 Ų | 101.5 | 67% | 0.674 | 54% | 0.539 | S | S | * | . | trans | -52.2 | 127.6 | -174.9 | -178.9 | 12.3 | 0 | 0 | 0 | 111.9 | E353 G357 S358 | E353-D355 PolarHBondContact O-N 3.21Å; D355-G357 PolarHBondContact O-N 2.78Å; D355-S358 WeakPolarHBondContact O-CB 3.48Å; D355-S358 PolarHBondContact O-N 3.12Å; D355-S358 VanDerWaalsContact O-N 3.08Å; D355-S358 PolarHBondContact O-OG 3.04Å | ||
| 356 | S | 52.1 | Low | 64.3 | Low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.7 | -168.7 | -105.1 | 0 | 0 | 0 | 0 | 114.2 | I354 S358 R361 | I354-S356 PolarHBondContact O-N 3.11Å; S356-S358 VanDerWaalsContact C-N 3.31Å; S356-S358 PolarHBondContact O-N 2.83Å; S356-R361 PolarHBondContact O-NH2 2.93Å; S356-R361 PolarHBondContact OG-NH2 2.87Å |
| 357 | G | 59.3 | Low | 65.7 | Low | 47 Ų | 47 | 99.8 Ų | 99.8 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -17 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D355 | D355-G357 PolarHBondContact O-N 2.78Š|
| 358 | S | 63.1 | Low | 67.2 | Low | 80 Ų | 80 | 101 Ų | 101 | 56% | 0.559 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -79.7 | -32.5 | -172.4 | 61.2 | 0 | 0 | 0 | 0 | 115 | I354 D355 S356 | I354-S358 WeakPolarHBondContact CG2-OG 3.33Å; D355-S358 WeakPolarHBondContact O-CB 3.48Å; D355-S358 PolarHBondContact O-N 3.12Å; D355-S358 VanDerWaalsContact O-N 3.08Å; D355-S358 PolarHBondContact O-OG 3.04Å; S356-S358 VanDerWaalsContact C-N 3.31Å; S356-S358 PolarHBondContact O-N 2.83Å |
| 359 | R | 76.7 | Confident | 68.6 | Low | 188 Ų | 188 | 97.6 Ų | 97.6 | 71% | 0.709 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -89 | 117.8 | -173.3 | -169.2 | 173.3 | -172.2 | 162.6 | 3.6 | 111.2 | R361 | R359-R361 WeakPolarHBondContact O-CG 3.32Å; R359-R361 PolarHBondContact O-N 3.25Å |
| 360 | L | 86.2 | Confident | 70.4 | Confident | 127 Ų | 127 | 96.6 Ų | 96.6 | 67% | 0.665 | 51% | 0.513 | S | S | * | . | trans | -60.1 | 133.5 | 171.9 | -65.6 | -178.8 | 0 | 0 | 0 | 111.1 | I373 | L360-I373 HydrophobicContact CB-CG2 3.83Å; L360-I373 HydrophobicContact CD1-CG2 4.22Å; L360-I373 HydrophobicContact CD2-CG2 4.31Å; L360-I373 HydrophobicContact CG-CG2 4.35Å | ||
| 361 | R | 86.2 | Confident | 72.3 | Confident | 75 Ų | 75 | 93.4 Ų | 93.4 | 28% | 0.283 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.5 | -179.2 | -33.1 | -175.9 | -171.4 | -162.5 | -5.7 | 109.5 | S356 R359 F363 I373 A374 G375 Q390 | S356-R361 PolarHBondContact O-NH2 2.93Å; S356-R361 PolarHBondContact OG-NH2 2.87Å; R359-R361 WeakPolarHBondContact O-CG 3.32Å; R359-R361 PolarHBondContact O-N 3.25Å; R361-F363 HydrophobicContact CB-CD2 4.4Å; R361-F363 HydrophobicContact CB-CE2 3.76Å; R361-F363 HydrophobicContact CB-CZ 4.27Å; R361-F363 HydrophobicContact CG-CE2 4.46Å; R361-F363 VanDerWaalsContact O-CD2 3.31Å; R361-F363 WeakPolarHBondContact O-CD2 3.18Å; R361-I373 WeakPolarHBondContact O-CA 3.4Å; R361-A374 PolarHBondContact N-O 3.24Å; R361-A374 PolarHBondContact O-N 3.31Å; R361-A374 VanDerWaalsContact O-N 3.13Å; R361-G375 PolarHBondContact NE-O 3.32Å; R361-Q390 HydrophobicContact CB-CG 4.12Å |
| 362 | L | 88.1 | Confident | 74 | Confident | 76 Ų | 76 | 85.3 Ų | 85.3 | 40% | 0.398 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.6 | 172.5 | 179.4 | 63.5 | 0 | 0 | 0 | 109.7 | A371 I373 V391 | L362-A371 HydrophobicContact CD1-CB 4.19Å; L362-I373 HydrophobicContact CD1-CG1 4.15Å; L362-V391 HydrophobicContact CB-CB 4.23Å; L362-V391 HydrophobicContact CB-CG2 4.45Å; L362-V391 HydrophobicContact CD2-CB 4.03Å; L362-V391 HydrophobicContact CD2-CG1 4.26Å; L362-V391 HydrophobicContact CD2-CG2 3.9Å; L362-V391 HydrophobicContact CG-CB 4.07Å; L362-V391 HydrophobicContact CG-CG2 3.81Å; L362-V391 PolarHBondContact O-N 2.76Å |
| 363 | F | 87.6 | Confident | 75.9 | Confident | 5 Ų | 5 | 83.7 Ų | 83.7 | 2% | 0.022 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 146.8 | 173.6 | -67 | -96.2 | 0 | 0 | 0 | 110 | R361 A371 A372 A374 L380 F388 R389 Q390 | R361-F363 HydrophobicContact CB-CD2 4.4Å; R361-F363 HydrophobicContact CB-CE2 3.76Å; R361-F363 HydrophobicContact CB-CZ 4.27Å; R361-F363 HydrophobicContact CG-CE2 4.46Å; R361-F363 VanDerWaalsContact O-CD2 3.31Å; R361-F363 WeakPolarHBondContact O-CD2 3.18Å; F363-A371 CarbonylContact O-C 3.58Å; F363-A371 WeakPolarHBondContact O-CA 3.17Å; F363-A372 PolarHBondContact N-O 2.88Å; F363-A372 PolarHBondContact O-N 3.09Å; F363-A374 HydrophobicContact CD2-CB 4.41Å; F363-A374 HydrophobicContact CE2-CB 4.2Å; F363-L380 HydrophobicContact CB-CD1 3.51Å; F363-L380 HydrophobicContact CD1-CD1 3.84Å; F363-L380 HydrophobicContact CD2-CD1 3.29Å; F363-L380 HydrophobicContact CE1-CD1 4.39Å; F363-L380 HydrophobicContact CE2-CD1 3.88Å; F363-L380 HydrophobicContact CG-CD1 3.27Å; F363-L380 HydrophobicContact CZ-CD1 4.4Å; F363-F388 HydrophobicContact CB-CB 4.18Å; F363-F388 HydrophobicContact CB-CD1 4.08Å; F363-F388 HydrophobicContact CD1-CB 4.31Å; F363-R389 CarbonylContact C-O 3.53Å; F363-R389 VanDerWaalsContact CA-O 3.23Å; F363-R389 WeakPolarHBondContact CA-O 3.5Å; F363-Q390 VanDerWaalsContact CD1-CA 3.49Å; F363-Q390 HydrophobicContact CD1-CB 3.91Å; F363-Q390 HydrophobicContact CD1-CG 4.38Å; F363-Q390 HydrophobicContact CE1-CB 3.64Å; F363-Q390 HydrophobicContact CE1-CG 3.99Å; F363-Q390 HydrophobicContact CZ-CB 4.3Å; F363-Q390 HydrophobicContact CZ-CG 4.15Å |
| 364 | I | 87.7 | Confident | 77.7 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 35% | 0.354 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.7 | 172.4 | -69.5 | 175.3 | 0 | 0 | 0 | 108.3 | R389 V391 | I364-R389 PolarHBondContact N-O 3.3Å; I364-R389 PolarHBondContact O-N 2.8Å; I364-V391 HydrophobicContact CB-CG2 4.3Å; I364-V391 HydrophobicContact CD1-CG2 3.56Å; I364-V391 HydrophobicContact CG1-CG2 3.65Å |
| 365 | S | 84.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 130.1 | 170.8 | 162.9 | 0 | 0 | 0 | 0 | 110.3 | D367 D368 G369 T370 | S365-D367 PolarHBondContact O-N 2.89Å; S365-D367 PolarHBondContact OG-N 2.9Å; S365-D368 WeakPolarHBondContact CB-OD1 3.44Å; S365-D368 PolarHBondContact OG-OD1 2.91Å; S365-G369 WeakPolarHBondContact O-CA 3.45Å; S365-G369 PolarHBondContact O-N 2.86Å; S365-G369 VanDerWaalsContact O-N 3.1Å; S365-T370 WeakPolarHBondContact CB-O 3.47Å; S365-T370 PolarHBondContact N-O 3.34Å |
| 366 | T | 83.6 | Confident | 80.3 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13 | 176.6 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | R387 R389 | T366-R387 PolarHBondContact N-O 2.87Å; T366-R387 PolarHBondContact OG1-O 2.99Å; T366-R389 HydrophobicContact CG2-CG 3.74Å |
| 367 | D | 82.2 | Confident | 81.3 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -28.7 | -159.7 | -45.9 | -32.4 | 0 | 0 | 0 | 111.2 | S365 R386 R387 | S365-D367 PolarHBondContact O-N 2.89Å; S365-D367 PolarHBondContact OG-N 2.9Å; D367-R386 WeakPolarHBondContact OD2-CA 3.48Å; D367-R387 PolarHBondContact OD2-N 2.93Å |
| 368 | D | 84.2 | Confident | 81.8 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 43% | 0.433 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.9 | -0.4 | 179.1 | 71 | -26.8 | 0 | 0 | 0 | 114.3 | S365 T370 R386 | S365-D368 WeakPolarHBondContact CB-OD1 3.44Å; S365-D368 PolarHBondContact OG-OD1 2.91Å; D368-T370 VanDerWaalsContact CG-OG1 3.26Å; D368-T370 PolarHBondContact O-N 2.83Å; D368-T370 WeakPolarHBondContact OD1-CB 3.39Å; D368-T370 PolarHBondContact OD1-N 3.01Å; D368-T370 VanDerWaalsContact OD1-N 3.17Å; D368-T370 PolarHBondContact OD1-OG1 2.91Å; D368-T370 WeakPolarHBondContact OD2-CB 3.43Å; D368-T370 PolarHBondContact OD2-OG1 2.81Å; D368-R386 IonicContact OD1-NH1 2.76Å; D368-R386 PolarHBondContact OD1-NH1 3.03Å; D368-R386 IonicContact OD2-CZ 3.76Å; D368-R386 IonicContact OD2-NH1 3.31Å; D368-R386 PolarHBondContact OD2-NH1 2.82Å |
| 369 | G | 84.2 | Confident | 82 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | trans | 74 | 5.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S365 A371 | S365-G369 WeakPolarHBondContact O-CA 3.45Å; S365-G369 PolarHBondContact O-N 2.86Å; S365-G369 VanDerWaalsContact O-N 3.1Å; G369-A371 PolarHBondContact O-N 3.35Å | ||
| 370 | T | 85 | Confident | 81.6 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | trans | -61.2 | 125.8 | 179.6 | -74.2 | 0 | 0 | 0 | 0 | 111.3 | S365 D368 | S365-T370 WeakPolarHBondContact CB-O 3.47Å; S365-T370 PolarHBondContact N-O 3.34Å; D368-T370 VanDerWaalsContact CG-OG1 3.26Å; D368-T370 PolarHBondContact O-N 2.83Å; D368-T370 WeakPolarHBondContact OD1-CB 3.39Å; D368-T370 PolarHBondContact OD1-N 3.01Å; D368-T370 VanDerWaalsContact OD1-N 3.17Å; D368-T370 PolarHBondContact OD1-OG1 2.91Å; D368-T370 WeakPolarHBondContact OD2-CB 3.43Å; D368-T370 PolarHBondContact OD2-OG1 2.81Å | ||
| 371 | A | 87.3 | Confident | 80.5 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 137.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L362 F363 G369 | L362-A371 HydrophobicContact CD1-CB 4.19Å; F363-A371 CarbonylContact O-C 3.58Å; F363-A371 WeakPolarHBondContact O-CA 3.17Å; G369-A371 PolarHBondContact O-N 3.35Å |
| 372 | A | 84.9 | Confident | 79.2 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 19% | 0.19 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 157 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F363 L380 F388 | F363-A372 PolarHBondContact N-O 2.88Å; F363-A372 PolarHBondContact O-N 3.09Å; A372-L380 HydrophobicContact CB-CD2 3.57Å; A372-F388 HydrophobicContact CB-CD1 4.41Å; A372-F388 HydrophobicContact CB-CE1 3.84Å; A372-F388 HydrophobicContact CB-CZ 4.49Å |
| 373 | I | 85.9 | Confident | 77.7 | Confident | 117 Ų | 117 | 65.3 Ų | 65.3 | 60% | 0.6 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.8 | -178.3 | -59.3 | 178.4 | 0 | 0 | 0 | 109.3 | L360 R361 L362 | L360-I373 HydrophobicContact CB-CG2 3.83Å; L360-I373 HydrophobicContact CD1-CG2 4.22Å; L360-I373 HydrophobicContact CD2-CG2 4.31Å; L360-I373 HydrophobicContact CG-CG2 4.35Å; R361-I373 WeakPolarHBondContact O-CA 3.4Å; L362-I373 HydrophobicContact CD1-CG1 4.15Å |
| 374 | A | 82.2 | Confident | 76.4 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 158.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R361 F363 S376 L380 | R361-A374 PolarHBondContact N-O 3.24Å; R361-A374 PolarHBondContact O-N 3.31Å; R361-A374 VanDerWaalsContact O-N 3.13Å; F363-A374 HydrophobicContact CD2-CB 4.41Å; F363-A374 HydrophobicContact CE2-CB 4.2Å; A374-S376 WeakPolarHBondContact CB-O 3.23Å; A374-L380 HydrophobicContact CB-CD1 3.87Å; A374-L380 HydrophobicContact CB-CD2 4.3Å; A374-L380 HydrophobicContact CB-CG 3.83Å |
| 375 | G | 80.9 | Confident | 75.4 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 11% | 0.113 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -75.6 | -32 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R361 | R361-G375 PolarHBondContact NE-O 3.32Š|
| 376 | S | 75.5 | Confident | 74.8 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 19% | 0.189 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -132.1 | 150.1 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | A374 E378 | A374-S376 WeakPolarHBondContact CB-O 3.23Å; S376-E378 PolarHBondContact O-N 2.9Å; S376-E378 WeakPolarHBondContact OG-CG 3.4Å; S376-E378 PolarHBondContact OG-N 3.1Å; S376-E378 VanDerWaalsContact OG-N 3.16Å; S376-E378 PolarHBondContact OG-OE2 2.85Å |
| 377 | S | 72.2 | Confident | 74.5 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 44% | 0.441 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -63.7 | -27.3 | 171.5 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | N379 L380 T381 | S377-N379 VanDerWaalsContact C-N 3.29Å; S377-N379 PolarHBondContact O-N 2.94Å; S377-L380 WeakPolarHBondContact O-CB 3.28Å; S377-L380 PolarHBondContact O-N 3.38Å; S377-L380 VanDerWaalsContact O-N 3.07Å; S377-T381 PolarHBondContact O-N 3.5Å; S377-T381 PolarHBondContact O-OG1 3.05Å |
| 378 | E | 69.9 | Low | 74.5 | Confident | 140 Ų | 140 | 78 Ų | 78 | 65% | 0.654 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | -176.2 | -62.5 | 162.1 | 145.1 | 0 | 0 | 111.4 | S376 L380 T381 | S376-E378 PolarHBondContact O-N 2.9Å; S376-E378 WeakPolarHBondContact OG-CG 3.4Å; S376-E378 PolarHBondContact OG-N 3.1Å; S376-E378 VanDerWaalsContact OG-N 3.16Å; S376-E378 PolarHBondContact OG-OE2 2.85Å; E378-L380 PolarHBondContact O-N 2.87Å; E378-T381 WeakPolarHBondContact CA-OG1 3.39Å; E378-T381 PolarHBondContact O-N 2.95Å; E378-T381 PolarHBondContact O-OG1 2.86Å |
| 379 | N | 66.7 | Low | 74.5 | Confident | 112 Ų | 112 | 82.7 Ų | 82.7 | 60% | 0.599 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.7 | -19 | 176.9 | -68.5 | -12.9 | 0 | 0 | 0 | 113.2 | S377 | S377-N379 VanDerWaalsContact C-N 3.29Å; S377-N379 PolarHBondContact O-N 2.94Å |
| 380 | L | 69.2 | Low | 74.7 | Confident | 20 Ų | 20 | 84.4 Ų | 84.4 | 11% | 0.105 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -90.5 | -38.4 | 177.8 | -71 | 165.6 | 0 | 0 | 0 | 112.1 | F363 A372 A374 S377 E378 A382 Y383 F388 | F363-L380 HydrophobicContact CB-CD1 3.51Å; F363-L380 HydrophobicContact CD1-CD1 3.84Å; F363-L380 HydrophobicContact CD2-CD1 3.29Å; F363-L380 HydrophobicContact CE1-CD1 4.39Å; F363-L380 HydrophobicContact CE2-CD1 3.88Å; F363-L380 HydrophobicContact CG-CD1 3.27Å; F363-L380 HydrophobicContact CZ-CD1 4.4Å; A372-L380 HydrophobicContact CB-CD2 3.57Å; A374-L380 HydrophobicContact CB-CD1 3.87Å; A374-L380 HydrophobicContact CB-CD2 4.3Å; A374-L380 HydrophobicContact CB-CG 3.83Å; S377-L380 WeakPolarHBondContact O-CB 3.28Å; S377-L380 PolarHBondContact O-N 3.38Å; S377-L380 VanDerWaalsContact O-N 3.07Å; E378-L380 PolarHBondContact O-N 2.87Å; L380-A382 PolarHBondContact O-N 3.04Å; L380-A382 VanDerWaalsContact O-N 3.13Å; L380-Y383 PolarHBondContact O-N 3.11Å; L380-Y383 VanDerWaalsContact O-N 3.1Å; L380-F388 HydrophobicContact CB-CB 4.32Å; L380-F388 HydrophobicContact CB-CD2 3.67Å; L380-F388 HydrophobicContact CB-CE2 4.09Å; L380-F388 HydrophobicContact CB-CG 3.98Å; L380-F388 HydrophobicContact CD1-CB 4.19Å; L380-F388 HydrophobicContact CD1-CD1 4.3Å; L380-F388 HydrophobicContact CD1-CG 4.14Å; L380-F388 HydrophobicContact CD2-CE1 4.46Å; L380-F388 HydrophobicContact CD2-CZ 4.41Å |
| 381 | T | 63.1 | Low | 74.7 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 52% | 0.515 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -16.5 | 175.9 | 34.8 | 0 | 0 | 0 | 0 | 114.3 | S377 E378 Y383 | S377-T381 PolarHBondContact O-N 3.5Å; S377-T381 PolarHBondContact O-OG1 3.05Å; E378-T381 WeakPolarHBondContact CA-OG1 3.39Å; E378-T381 PolarHBondContact O-N 2.95Å; E378-T381 PolarHBondContact O-OG1 2.86Å; T381-Y383 VanDerWaalsContact C-N 3.27Å; T381-Y383 PolarHBondContact O-N 2.88Å |
| 382 | A | 59.3 | Low | 74.5 | Confident | 80 Ų | 80 | 85.4 Ų | 85.4 | 66% | 0.661 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L380 | L380-A382 PolarHBondContact O-N 3.04Å; L380-A382 VanDerWaalsContact O-N 3.13Å |
| 383 | Y | 55.4 | Low | 74.2 | Confident | 178 Ų | 178 | 90.6 Ų | 90.6 | 70% | 0.698 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -104.1 | 119.5 | 179.1 | -86.5 | -93.9 | 0 | 0 | 0 | 112 | L380 T381 G385 | L380-Y383 PolarHBondContact O-N 3.11Å; L380-Y383 VanDerWaalsContact O-N 3.1Å; T381-Y383 VanDerWaalsContact C-N 3.27Å; T381-Y383 PolarHBondContact O-N 2.88Å; Y383-G385 PolarHBondContact O-N 2.69Å |
| 384 | E | 61 | Low | 73.7 | Confident | 147 Ų | 147 | 92.8 Ų | 92.8 | 69% | 0.687 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 5.6 | 169.3 | -56.4 | -175.2 | 179.8 | 0 | 0 | 116.9 | R386 | E384-R386 HydrophobicContact CB-CG 4.05Å; E384-R386 PolarHBondContact O-N 3.19Å; E384-R386 IonicContact OE2-CZ 3.85Å; E384-R386 IonicContact OE2-NE 3.25Å; E384-R386 PolarHBondContact OE2-NE 2.91Å; E384-R386 IonicContact OE2-NH2 2.69Å; E384-R386 PolarHBondContact OE2-NH2 2.84Å |
| 385 | G | 65.5 | Low | 73.4 | Confident | 69 Ų | 69 | 97.6 Ų | 97.6 | 71% | 0.711 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 9.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y383 | Y383-G385 PolarHBondContact O-N 2.69Š|
| 386 | R | 71.9 | Confident | 73.1 | Confident | 74 Ų | 74 | 102.5 Ų | 102.5 | 28% | 0.279 | 54% | 0.544 | S | S | . | . | trans | -65.6 | 148.8 | 178 | -64.3 | 168.9 | 179.5 | -120.2 | 9.2 | 111.2 | D367 D368 E384 F388 | D367-R386 WeakPolarHBondContact OD2-CA 3.48Å; D368-R386 IonicContact OD1-NH1 2.76Å; D368-R386 PolarHBondContact OD1-NH1 3.03Å; D368-R386 IonicContact OD2-CZ 3.76Å; D368-R386 IonicContact OD2-NH1 3.31Å; D368-R386 PolarHBondContact OD2-NH1 2.82Å; E384-R386 HydrophobicContact CB-CG 4.05Å; E384-R386 PolarHBondContact O-N 3.19Å; E384-R386 IonicContact OE2-CZ 3.85Å; E384-R386 IonicContact OE2-NE 3.25Å; E384-R386 PolarHBondContact OE2-NE 2.91Å; E384-R386 IonicContact OE2-NH2 2.69Å; E384-R386 PolarHBondContact OE2-NH2 2.84Å; R386-F388 HydrophobicContact CB-CD2 4.32Å; R386-F388 HydrophobicContact CB-CE2 3.79Å; R386-F388 HydrophobicContact CB-CZ 4.43Å | ||
| 387 | R | 79.1 | Confident | 73.2 | Confident | 186 Ų | 186 | 107.3 Ų | 107.3 | 70% | 0.702 | 58% | 0.575 | S | S | * | * | trans | -100.9 | 108.1 | -178.6 | -163.4 | 174.6 | -167.7 | 175.2 | 4.7 | 111.4 | T366 D367 | T366-R387 PolarHBondContact N-O 2.87Å; T366-R387 PolarHBondContact OG1-O 2.99Å; D367-R387 PolarHBondContact OD2-N 2.93Å | ||
| 388 | F | 81.8 | Confident | 73.2 | Confident | 34 Ų | 34 | 119.7 Ų | 119.7 | 15% | 0.149 | 61% | 0.611 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 140.4 | 179 | -71.9 | -90 | 0 | 0 | 0 | 112.2 | F363 A372 L380 R386 | F363-F388 HydrophobicContact CB-CB 4.18Å; F363-F388 HydrophobicContact CB-CD1 4.08Å; F363-F388 HydrophobicContact CD1-CB 4.31Å; A372-F388 HydrophobicContact CB-CD1 4.41Å; A372-F388 HydrophobicContact CB-CE1 3.84Å; A372-F388 HydrophobicContact CB-CZ 4.49Å; L380-F388 HydrophobicContact CB-CB 4.32Å; L380-F388 HydrophobicContact CB-CD2 3.67Å; L380-F388 HydrophobicContact CB-CE2 4.09Å; L380-F388 HydrophobicContact CB-CG 3.98Å; L380-F388 HydrophobicContact CD1-CB 4.19Å; L380-F388 HydrophobicContact CD1-CD1 4.3Å; L380-F388 HydrophobicContact CD1-CG 4.14Å; L380-F388 HydrophobicContact CD2-CE1 4.46Å; L380-F388 HydrophobicContact CD2-CZ 4.41Å; R386-F388 HydrophobicContact CB-CD2 4.32Å; R386-F388 HydrophobicContact CB-CE2 3.79Å; R386-F388 HydrophobicContact CB-CZ 4.43Å |
| 389 | R | 84.1 | Confident | 73.4 | Confident | 181 Ų | 181 | 118.7 Ų | 118.7 | 68% | 0.683 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.6 | 168.2 | -73.7 | -178 | 177.3 | -167.2 | -1 | 109.9 | F363 I364 T366 | F363-R389 CarbonylContact C-O 3.53Å; F363-R389 VanDerWaalsContact CA-O 3.23Å; F363-R389 WeakPolarHBondContact CA-O 3.5Å; I364-R389 PolarHBondContact N-O 3.3Å; I364-R389 PolarHBondContact O-N 2.8Å; T366-R389 HydrophobicContact CG2-CG 3.74Å |
| 390 | Q | 87.2 | Confident | 73.7 | Confident | 83 Ų | 83 | 119 Ų | 119 | 39% | 0.388 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.5 | 133.7 | 172.8 | -162.9 | -170.4 | -69.8 | 0 | 0 | 109.1 | R361 F363 V392 | R361-Q390 HydrophobicContact CB-CG 4.12Å; F363-Q390 VanDerWaalsContact CD1-CA 3.49Å; F363-Q390 HydrophobicContact CD1-CB 3.91Å; F363-Q390 HydrophobicContact CD1-CG 4.38Å; F363-Q390 HydrophobicContact CE1-CB 3.64Å; F363-Q390 HydrophobicContact CE1-CG 3.99Å; F363-Q390 HydrophobicContact CZ-CB 4.3Å; F363-Q390 HydrophobicContact CZ-CG 4.15Å; Q390-V392 PolarHBondContact O-N 3Å |
| 391 | V | 85.2 | Confident | 74 | Confident | 50 Ų | 50 | 124.5 Ų | 124.5 | 30% | 0.303 | 64% | 0.638 | S | S | . | * | trans | -78.8 | 119 | 168.6 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | L362 I364 V393 | L362-V391 HydrophobicContact CB-CB 4.23Å; L362-V391 HydrophobicContact CB-CG2 4.45Å; L362-V391 HydrophobicContact CD2-CB 4.03Å; L362-V391 HydrophobicContact CD2-CG1 4.26Å; L362-V391 HydrophobicContact CD2-CG2 3.9Å; L362-V391 HydrophobicContact CG-CB 4.07Å; L362-V391 HydrophobicContact CG-CG2 3.81Å; L362-V391 PolarHBondContact O-N 2.76Å; I364-V391 HydrophobicContact CB-CG2 4.3Å; I364-V391 HydrophobicContact CD1-CG2 3.56Å; I364-V391 HydrophobicContact CG1-CG2 3.65Å; V391-V393 HydrophobicContact CG1-CG2 4.43Å | ||
| 392 | V | 82.9 | Confident | 74.6 | Confident | 103 Ų | 103 | 126.9 Ų | 126.9 | 62% | 0.624 | 65% | 0.645 | S | S | * | * | trans | -107.5 | 118.8 | 170.6 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | Q390 E394 | Q390-V392 PolarHBondContact O-N 3Å; V392-E394 HydrophobicContact CG1-CG 4.45Å; V392-E394 PolarHBondContact O-N 3.15Å | ||
| 393 | V | 78.4 | Confident | 75.6 | Confident | 132 Ų | 132 | 129.8 Ų | 129.8 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | trans | -89.6 | 101.1 | 170.8 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | V391 | V391-V393 HydrophobicContact CG1-CG2 4.43Š| ||
| 394 | E | 77.4 | Confident | 76.9 | Confident | 164 Ų | 164 | 126.6 Ų | 126.6 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 137.8 | 170 | -65.9 | -174.2 | 160 | 0 | 0 | 109.3 | V392 | V392-E394 HydrophobicContact CG1-CG 4.45Å; V392-E394 PolarHBondContact O-N 3.15Å |
| 395 | P | 75.7 | Confident | 78.1 | Confident | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -65 | 148.5 | 171.7 | 29.4 | -34.2 | 0 | 0 | 0 | 109.6 | ||
| 396 | P | 74.3 | Confident | 79 | Confident | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 148.1 | 174.3 | 26.7 | -34.6 | 0 | 0 | 0 | 110.7 | ||
| 397 | P | 77.2 | Confident | 79.6 | Confident | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 145.5 | 171.9 | 26.3 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 398 | R | 72.4 | Confident | 79.7 | Confident | 322 Ų | 322 | 129.4 Ų | 129.4 | 100% | 1.215 | 66% | 0.657 | S | S | * | * | trans | -77.3 | 0 | 178.4 | -68.4 | -173.2 | 178.6 | -166.2 | 1 | 112.4 |
Retrieved 398 of 398 residues in 129.3 ms
(Link to these results)