| 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 | 36 | Very low | 48.7 | Very low | 241 Ų | 241 | 130.5 Ų | 130.5 | 100% | 1.187 | 74% | 0.744 | S | S | * | * | 0 | 88.9 | 0 | -152.8 | 156.6 | 172.8 | 0 | 0 | 106.4 | |||||
| 2 | F | 33.2 | Very low | 50 | Low | 203 Ų | 203 | 127.2 Ų | 127.2 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | trans | -109.5 | 136.2 | -180 | -71.6 | -76.9 | 0 | 0 | 0 | 108.2 | ||||
| 3 | P | 43.2 | Very low | 51.4 | Low | 126 Ų | 126 | 125.8 Ų | 125.8 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -76.5 | 138.5 | -170.3 | 30.7 | -32.2 | 0 | 0 | 0 | 111.2 | ||||
| 4 | A | 46.8 | Very low | 52.6 | Low | 107 Ų | 107 | 119.4 Ų | 119.4 | 88% | 0.884 | 69% | 0.69 | S | S | * | * | trans | -78.8 | 118.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | A | 46.6 | Very low | 53.8 | Low | 88 Ų | 88 | 115.1 Ų | 115.1 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -162.2 | 129.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 6 | N | 53 | Low | 55 | Low | 89 Ų | 89 | 113.3 Ų | 113.3 | 48% | 0.476 | 66% | 0.664 | S | S | . | * | cis | -163.3 | 55.9 | 46.2 | -131.3 | -8.8 | 0 | 0 | 0 | 109 | S8 R9 | N6-S8 PolarHBondContact O-N 3.42Å; N6-R9 PolarHBondContact O-N 2.84Å | ||
| 7 | S | 51.3 | Low | 56.1 | Low | 103 Ų | 103 | 110.9 Ų | 110.9 | 72% | 0.72 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.6 | -31.2 | -179.2 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | R9 T11 | S7-R9 PolarHBondContact O-N 3Å; S7-T11 PolarHBondContact O-OG1 3.01Å |
| 8 | S | 54 | Low | 56.7 | Low | 76 Ų | 76 | 112 Ų | 112 | 53% | 0.531 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.6 | -32.1 | -177 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | N6 T11 V12 | N6-S8 PolarHBondContact O-N 3.42Å; S8-T11 PolarHBondContact O-N 3.09Å; S8-V12 VanDerWaalsContact O-CG2 3.22Å; S8-V12 WeakPolarHBondContact O-CG2 3.37Å; S8-V12 PolarHBondContact O-N 2.97Å |
| 9 | R | 55.2 | Low | 57.4 | Low | 170 Ų | 170 | 110.2 Ų | 110.2 | 64% | 0.642 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.9 | -36.9 | -176 | -69.1 | -164.4 | 179.2 | -164 | -0.3 | 112.5 | N6 S7 I13 | N6-R9 PolarHBondContact O-N 2.84Å; S7-R9 PolarHBondContact O-N 3Å; R9-I13 WeakPolarHBondContact O-CD1 3.28Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.86Å; R9-I13 VanDerWaalsContact O-N 3.14Å |
| 10 | L | 56.7 | Low | 57.8 | Low | 140 Ų | 140 | 108.1 Ų | 108.1 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.4 | -40.2 | 174.9 | -101.5 | 79 | 0 | 0 | 0 | 111.5 | I13 G14 | L10-I13 PolarHBondContact O-N 2.77Å; L10-G14 PolarHBondContact O-N 2.88Å |
| 11 | T | 60.1 | Low | 58 | Low | 93 Ų | 93 | 109.2 Ų | 109.2 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.7 | -38.8 | 179.3 | -33.7 | 0 | 0 | 0 | 0 | 111.9 | S7 S8 G14 A15 | S7-T11 PolarHBondContact O-OG1 3.01Å; S8-T11 PolarHBondContact O-N 3.09Å; T11-G14 PolarHBondContact O-N 3.16Å; T11-A15 WeakPolarHBondContact O-CB 3.31Å; T11-A15 PolarHBondContact O-N 3.13Å |
| 12 | V | 64.6 | Low | 59.2 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.8 | -42.5 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | S8 A15 V16 | S8-V12 VanDerWaalsContact O-CG2 3.22Å; S8-V12 WeakPolarHBondContact O-CG2 3.37Å; S8-V12 PolarHBondContact O-N 2.97Å; V12-A15 PolarHBondContact O-N 3.22Å; V12-V16 VanDerWaalsContact O-CG2 3.32Å; V12-V16 WeakPolarHBondContact O-CG2 3.4Å; V12-V16 PolarHBondContact O-N 2.82Å |
| 13 | I | 68.1 | Low | 60.5 | Low | 110 Ų | 110 | 99.1 Ų | 99.1 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.8 | -44.1 | 176.3 | -66.2 | 166.5 | 0 | 0 | 0 | 110.5 | R9 L10 A15 V16 V17 | R9-I13 WeakPolarHBondContact O-CD1 3.28Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.86Å; R9-I13 VanDerWaalsContact O-N 3.14Å; L10-I13 PolarHBondContact O-N 2.77Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.26Å; I13-V16 PolarHBondContact O-N 2.85Å; I13-V17 HydrophobicContact CG2-CG2 4.43Å; I13-V17 WeakPolarHBondContact O-CG2 3.26Å; I13-V17 PolarHBondContact O-N 3.42Å |
| 14 | G | 67.8 | Low | 61.2 | Low | 36 Ų | 36 | 99.9 Ų | 99.9 | 37% | 0.371 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.4 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L10 T11 V17 M18 | L10-G14 PolarHBondContact O-N 2.88Å; T11-G14 PolarHBondContact O-N 3.16Å; G14-V17 PolarHBondContact O-N 2.77Å; G14-M18 WeakPolarHBondContact O-CB 3.46Å; G14-M18 WeakPolarHBondContact O-CG 3.45Å; G14-M18 PolarHBondContact O-N 3.09Å |
| 15 | A | 71.3 | Confident | 61.7 | Low | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.5 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T11 V12 I13 M18 V19 | T11-A15 WeakPolarHBondContact O-CB 3.31Å; T11-A15 PolarHBondContact O-N 3.13Å; V12-A15 PolarHBondContact O-N 3.22Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.26Å; A15-M18 PolarHBondContact O-N 3.28Å; A15-V19 WeakPolarHBondContact O-CB 3.34Å; A15-V19 VanDerWaalsContact O-CG2 3.22Å; A15-V19 WeakPolarHBondContact O-CG2 2.97Å; A15-V19 PolarHBondContact O-N 3.45Å |
| 16 | V | 73 | Confident | 61.8 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.2 | -39.6 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | V12 I13 V19 T20 | V12-V16 VanDerWaalsContact O-CG2 3.32Å; V12-V16 WeakPolarHBondContact O-CG2 3.4Å; V12-V16 PolarHBondContact O-N 2.82Å; I13-V16 PolarHBondContact O-N 2.85Å; V16-V19 PolarHBondContact O-N 2.93Å; V16-T20 HydrophobicContact CG1-CG2 4.48Å; V16-T20 WeakPolarHBondContact O-CB 3.47Å; V16-T20 WeakPolarHBondContact O-CG2 3.47Å; V16-T20 PolarHBondContact O-N 3.26Å; V16-T20 PolarHBondContact O-OG1 3.45Å |
| 17 | V | 72.3 | Confident | 61.7 | Low | 74 Ų | 74 | 103.5 Ų | 103.5 | 45% | 0.448 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.2 | -41.6 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | I13 G14 T20 M21 | I13-V17 HydrophobicContact CG2-CG2 4.43Å; I13-V17 WeakPolarHBondContact O-CG2 3.26Å; I13-V17 PolarHBondContact O-N 3.42Å; G14-V17 PolarHBondContact O-N 2.77Å; V17-T20 WeakPolarHBondContact CA-OG1 3.21Å; V17-T20 PolarHBondContact O-N 2.02Å; V17-T20 PolarHBondContact O-OG1 2.89Å; V17-M21 HydrophobicContact CG1-CG 4.43Å; V17-M21 WeakPolarHBondContact O-CB 3.13Å; V17-M21 VanDerWaalsContact O-CG 3.23Å; V17-M21 WeakPolarHBondContact O-CG 3.43Å; V17-M21 PolarHBondContact O-N 3.49Å |
| 18 | M | 68.4 | Low | 61.9 | Low | 130 Ų | 130 | 102.7 Ų | 102.7 | 64% | 0.64 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.5 | -44 | 175.4 | -74.6 | -85.4 | -77.3 | 0 | 0 | 112 | G14 A15 M21 L22 | G14-M18 WeakPolarHBondContact O-CB 3.46Å; G14-M18 WeakPolarHBondContact O-CG 3.45Å; G14-M18 PolarHBondContact O-N 3.09Å; A15-M18 PolarHBondContact O-N 3.28Å; M18-M21 PolarHBondContact O-N 2.84Å; M18-L22 VanDerWaalsContact O-CG 3.3Å; M18-L22 WeakPolarHBondContact O-CG 3.34Å; M18-L22 PolarHBondContact O-N 3.27Å |
| 19 | V | 68.8 | Low | 61.6 | Low | 77 Ų | 77 | 104.2 Ų | 104.2 | 47% | 0.467 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.6 | -42.3 | 177.7 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | A15 V16 M21 L22 M23 | A15-V19 WeakPolarHBondContact O-CB 3.34Å; A15-V19 VanDerWaalsContact O-CG2 3.22Å; A15-V19 WeakPolarHBondContact O-CG2 2.97Å; A15-V19 PolarHBondContact O-N 3.45Å; V16-V19 PolarHBondContact O-N 2.93Å; V19-M21 PolarHBondContact O-N 3.07Å; V19-L22 PolarHBondContact O-N 3.12Å; V19-M23 HydrophobicContact CG1-CE 4.19Å; V19-M23 HydrophobicContact CG1-CG 4.49Å; V19-M23 VanDerWaalsContact O-CG 3.23Å; V19-M23 WeakPolarHBondContact O-CG 3.09Å; V19-M23 PolarHBondContact O-N 3.22Å |
| 20 | T | 65.2 | Low | 61.1 | Low | 69 Ų | 69 | 105.3 Ų | 105.3 | 42% | 0.423 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.7 | -36.5 | 176.9 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | V16 V17 M23 M24 | V16-T20 HydrophobicContact CG1-CG2 4.48Å; V16-T20 WeakPolarHBondContact O-CB 3.47Å; V16-T20 WeakPolarHBondContact O-CG2 3.47Å; V16-T20 PolarHBondContact O-N 3.26Å; V16-T20 PolarHBondContact O-OG1 3.45Å; V17-T20 WeakPolarHBondContact CA-OG1 3.21Å; V17-T20 PolarHBondContact O-N 2.02Å; V17-T20 PolarHBondContact O-OG1 2.89Å; T20-M23 PolarHBondContact O-N 3.14Å; T20-M24 VanDerWaalsContact O-CG 3.31Å; T20-M24 WeakPolarHBondContact O-CG 3.49Å; T20-M24 PolarHBondContact O-N 3.11Å |
| 21 | M | 61.7 | Low | 60.4 | Low | 131 Ų | 131 | 107.1 Ų | 107.1 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 172.8 | -73.8 | -71.6 | -167.9 | 0 | 0 | 112.6 | V17 M18 V19 M24 A25 | V17-M21 HydrophobicContact CG1-CG 4.43Å; V17-M21 WeakPolarHBondContact O-CB 3.13Å; V17-M21 VanDerWaalsContact O-CG 3.23Å; V17-M21 WeakPolarHBondContact O-CG 3.43Å; V17-M21 PolarHBondContact O-N 3.49Å; M18-M21 PolarHBondContact O-N 2.84Å; V19-M21 PolarHBondContact O-N 3.07Å; M21-M24 PolarHBondContact O-N 3.05Å; M21-A25 WeakPolarHBondContact O-CB 2.93Å; M21-A25 PolarHBondContact O-N 3.41Å |
| 22 | L | 61.6 | Low | 59.5 | Low | 114 Ų | 114 | 108.1 Ų | 108.1 | 60% | 0.597 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.8 | -38.9 | 175.7 | -70.9 | 168.1 | 0 | 0 | 0 | 112.1 | M18 V19 A25 E26 | M18-L22 VanDerWaalsContact O-CG 3.3Å; M18-L22 WeakPolarHBondContact O-CG 3.34Å; M18-L22 PolarHBondContact O-N 3.27Å; V19-L22 PolarHBondContact O-N 3.12Å; L22-A25 PolarHBondContact O-N 2.74Å; L22-E26 PolarHBondContact O-N 2.74Å |
| 23 | M | 60.7 | Low | 58.5 | Low | 119 Ų | 119 | 115.4 Ų | 115.4 | 59% | 0.586 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.6 | -36.4 | 176.3 | -63.3 | -65.3 | 175.7 | 0 | 0 | 112.3 | V19 T20 A25 V27 | V19-M23 HydrophobicContact CG1-CE 4.19Å; V19-M23 HydrophobicContact CG1-CG 4.49Å; V19-M23 VanDerWaalsContact O-CG 3.23Å; V19-M23 WeakPolarHBondContact O-CG 3.09Å; V19-M23 PolarHBondContact O-N 3.22Å; T20-M23 PolarHBondContact O-N 3.14Å; M23-A25 VanDerWaalsContact C-N 3.35Å; M23-V27 WeakPolarHBondContact O-CG2 3.37Å |
| 24 | M | 58.7 | Low | 57.1 | Low | 142 Ų | 142 | 119.7 Ų | 119.7 | 70% | 0.7 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.3 | -31.6 | 174.5 | -66.2 | -67.6 | 176.9 | 0 | 0 | 112.2 | T20 M21 V27 | T20-M24 VanDerWaalsContact O-CG 3.31Å; T20-M24 WeakPolarHBondContact O-CG 3.49Å; T20-M24 PolarHBondContact O-N 3.11Å; M21-M24 PolarHBondContact O-N 3.05Å; M24-V27 PolarHBondContact O-N 3.03Å |
| 25 | A | 55.9 | Low | 55.9 | Low | 69 Ų | 69 | 129.4 Ų | 129.4 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.8 | -31.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M21 L22 M23 | M21-A25 WeakPolarHBondContact O-CB 2.93Å; M21-A25 PolarHBondContact O-N 3.41Å; L22-A25 PolarHBondContact O-N 2.74Å; M23-A25 VanDerWaalsContact C-N 3.35Å |
| 26 | E | 50.1 | Low | 54.8 | Low | 166 Ų | 166 | 131.8 Ų | 131.8 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.7 | -27.1 | 174.1 | -75.6 | -155.7 | 154.7 | 0 | 0 | 113.4 | L22 A28 | L22-E26 PolarHBondContact O-N 2.74Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.43Å |
| 27 | V | 51.3 | Low | 53.5 | Low | 124 Ų | 124 | 135.2 Ų | 135.2 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -80 | -14.3 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | M23 M24 | M23-V27 WeakPolarHBondContact O-CG2 3.37Å; M24-V27 PolarHBondContact O-N 3.03Å |
| 28 | A | 54.9 | Low | 52.5 | Low | 86 Ų | 86 | 134.2 Ų | 134.2 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 9.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E26 | E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.43Å |
| 29 | S | 47.8 | Very low | 52 | Low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | trans | -106.8 | 60.4 | 175.1 | -160 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 30 | K | 44 | Very low | 51.8 | Low | 192 Ų | 192 | 135.1 Ų | 135.1 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -120.7 | 85.2 | 159.2 | -107.6 | 177.1 | -179.2 | 173.4 | 0 | 108.1 | ||||
| 31 | H | 42.8 | Very low | 52.1 | Low | 178 Ų | 178 | 139.7 Ų | 139.7 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -50.8 | 126 | 158.7 | -112.8 | 50.4 | 0 | 0 | 0 | 107.7 | R33 | H31-R33 PolarHBondContact O-N 3.27Š| ||
| 32 | P | 40.9 | Very low | 53.1 | Low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | trans | -61.8 | 112.3 | 171.9 | 24.8 | -28.3 | 0 | 0 | 0 | 105.9 | K34 | P32-K34 VanDerWaalsContact C-N 3.3Å; P32-K34 PolarHBondContact O-N 3.47Å | ||
| 33 | R | 43.8 | Very low | 54.2 | Low | 243 Ų | 243 | 140.8 Ų | 140.8 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | trans | -54.5 | 104.6 | 166.4 | -87.8 | -168.1 | 174 | -174.4 | -0.4 | 105.6 | H31 R35 | H31-R33 PolarHBondContact O-N 3.27Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 3.36Å | ||
| 34 | K | 37.7 | Very low | 55.6 | Low | 200 Ų | 200 | 140.3 Ų | 140.3 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | trans | -52.2 | 103.7 | 166.6 | -164.6 | 174.2 | -174.4 | 178.6 | 0 | 105 | P32 S36 | P32-K34 VanDerWaalsContact C-N 3.3Å; P32-K34 PolarHBondContact O-N 3.47Å; K34-S36 PolarHBondContact O-N 3.46Å | ||
| 35 | R | 42.9 | Very low | 57.1 | Low | 240 Ų | 240 | 139.8 Ų | 139.8 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -62 | 99.1 | 175.5 | -152.9 | 178.4 | -168.4 | -163.9 | 2.9 | 103.5 | R33 D37 | R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 3.36Å; R35-D37 PolarHBondContact O-N 3.07Å | ||
| 36 | S | 48.7 | Very low | 58.5 | Low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -50.4 | 114.6 | 171.9 | 179.5 | 0 | 0 | 0 | 0 | 105 | K34 G38 | K34-S36 PolarHBondContact O-N 3.46Å; S36-G38 PolarHBondContact O-N 2.84Å | ||
| 37 | D | 45.6 | Very low | 60.3 | Low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -56.2 | 95.3 | 171.6 | -175.8 | 24.5 | 0 | 0 | 0 | 106.2 | R35 S39 | R35-D37 PolarHBondContact O-N 3.07Å; D37-S39 PolarHBondContact O-N 2.9Å | ||
| 38 | G | 50.7 | Low | 61.8 | Low | 53 Ų | 53 | 138.1 Ų | 138.1 | 55% | 0.546 | 74% | 0.736 | S | S | . | * | trans | -79.3 | 91.5 | -170 | 0 | 0 | 0 | 0 | 0 | 106.7 | S36 V40 | S36-G38 PolarHBondContact O-N 2.84Å; G38-V40 PolarHBondContact O-N 3.28Å | ||
| 39 | S | 59.1 | Low | 63.1 | Low | 97 Ų | 97 | 136.9 Ų | 136.9 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -49.2 | 120.6 | 163.2 | 62 | 0 | 0 | 0 | 0 | 107.5 | D37 K41 | D37-S39 PolarHBondContact O-N 2.9Å; S39-K41 PolarHBondContact O-N 3.02Å | ||
| 40 | V | 63.8 | Low | 64.3 | Low | 129 Ų | 129 | 135.7 Ų | 135.7 | 78% | 0.782 | 71% | 0.707 | S | S | * | * | trans | -59.9 | 108.3 | -179.7 | 177.3 | 0 | 0 | 0 | 0 | 106.6 | G38 Q42 | G38-V40 PolarHBondContact O-N 3.28Å; V40-Q42 PolarHBondContact O-N 2.88Å | ||
| 41 | K | 71.4 | Confident | 65.5 | Low | 164 Ų | 164 | 132.1 Ų | 132.1 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | trans | -73.1 | 95.8 | 176.2 | -69.5 | -175.8 | -178.6 | 176.9 | 0 | 107.4 | S39 T43 | S39-K41 PolarHBondContact O-N 3.02Å; K41-T43 PolarHBondContact O-N 3.44Å | ||
| 42 | Q | 82.4 | Confident | 66.4 | Low | 153 Ų | 153 | 129.6 Ų | 129.6 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | trans | -71.6 | 122 | 175.8 | -172.9 | 64.5 | 38 | 0 | 0 | 109.5 | V40 V44 | V40-Q42 PolarHBondContact O-N 2.88Å; Q42-V44 HydrophobicContact CG-CG1 4.23Å | ||
| 43 | T | 85.1 | Confident | 67.3 | Low | 115 Ų | 115 | 128.9 Ų | 128.9 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | -99.2 | 138.6 | 169.7 | -55.5 | 0 | 0 | 0 | 0 | 108.6 | K41 | K41-T43 PolarHBondContact O-N 3.44Š| ||
| 44 | V | 90.3 | Very high | 67.9 | Low | 110 Ų | 110 | 123.5 Ų | 123.5 | 67% | 0.667 | 67% | 0.667 | S | S | * | * | trans | -128 | 148.5 | 177.6 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | Q42 | Q42-V44 HydrophobicContact CG-CG1 4.23Š| ||
| 45 | S | 89.3 | Confident | 69 | Low | 130 Ų | 130 | 121.1 Ų | 121.1 | 91% | 0.909 | 66% | 0.663 | S | S | * | * | trans | -72.1 | 133 | 171.3 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 46 | L | 86 | Confident | 69.6 | Low | 104 Ų | 104 | 114.8 Ų | 114.8 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | trans | -125.2 | 128.6 | -179.3 | -178.6 | 67.5 | 0 | 0 | 0 | 109.8 | L48 L119 | L46-L48 HydrophobicContact CD2-CD2 3.58Å; L46-L48 HydrophobicContact CD2-CG 4.4Å; L46-L48 HydrophobicContact CG-CD2 3.92Å; L46-L119 HydrophobicContact CD2-CD1 3.39Å; L46-L119 HydrophobicContact CD2-CD2 4.13Å; L46-L119 HydrophobicContact CD2-CG 4.42Å | ||
| 47 | H | 88 | Confident | 70 | Confident | 164 Ų | 164 | 114.8 Ų | 114.8 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | trans | -100.7 | 119.3 | 170.3 | -173.9 | -91.7 | 0 | 0 | 0 | 108.7 | ||||
| 48 | L | 83.6 | Confident | 70.6 | Confident | 56 Ų | 56 | 118.4 Ų | 118.4 | 29% | 0.293 | 66% | 0.655 | S | S | . | * | trans | -92.4 | 107.2 | 177.1 | -61.8 | 179.5 | 0 | 0 | 0 | 108.5 | L46 P50 Y82 L119 Y133 | L46-L48 HydrophobicContact CD2-CD2 3.58Å; L46-L48 HydrophobicContact CD2-CG 4.4Å; L46-L48 HydrophobicContact CG-CD2 3.92Å; L48-P50 WeakPolarHBondContact O-CD 3.28Å; L48-Y82 HydrophobicContact CB-CE1 4.48Å; L48-Y82 HydrophobicContact CD1-CD1 4.14Å; L48-Y82 HydrophobicContact CD1-CD2 4.05Å; L48-Y82 HydrophobicContact CD1-CE1 4.14Å; L48-Y82 HydrophobicContact CD1-CE2 4.04Å; L48-Y82 HydrophobicContact CD1-CG 4.08Å; L48-Y82 HydrophobicContact CD2-CD1 4Å; L48-Y82 HydrophobicContact CD2-CE1 3.7Å; L48-Y82 HydrophobicContact CG-CE1 4.33Å; L48-L119 HydrophobicContact CD2-CD1 3.7Å; L48-Y133 HydrophobicContact CD1-CE2 4.32Å | ||
| 49 | D | 81.2 | Confident | 71 | Confident | 60 Ų | 60 | 120.4 Ų | 120.4 | 32% | 0.321 | 65% | 0.653 | S | S | . | * | trans | -88.1 | 111.9 | 174 | -173.3 | -12.5 | 0 | 0 | 0 | 109.8 | D51 L52 | D49-D51 PolarHBondContact O-N 2.85Å; D49-D51 WeakPolarHBondContact OD1-CB 3.43Å; D49-D51 PolarHBondContact OD1-N 2.86Å; D49-L52 HydrophobicContact CB-CD1 3.87Å; D49-L52 HydrophobicContact CB-CG 3.93Å | ||
| 50 | P | 72.4 | Confident | 71.1 | Confident | 84 Ų | 84 | 121.9 Ų | 121.9 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -64.5 | -26 | -179.7 | -16.2 | 30.4 | 0 | 0 | 0 | 113.3 | L48 L52 L53 | L48-P50 WeakPolarHBondContact O-CD 3.28Å; P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 2.58Å; P50-L53 PolarHBondContact O-N 2.88Å |
| 51 | D | 69.2 | Low | 71.4 | Confident | 117 Ų | 117 | 125.6 Ų | 125.6 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -77.4 | -19.4 | -172.2 | -64.2 | -30.5 | 0 | 0 | 0 | 112 | D49 L53 L54 | D49-D51 PolarHBondContact O-N 2.85Å; D49-D51 WeakPolarHBondContact OD1-CB 3.43Å; D49-D51 PolarHBondContact OD1-N 2.86Å; D51-L53 VanDerWaalsContact C-N 3.25Å; D51-L53 PolarHBondContact O-N 2.04Å; D51-L54 PolarHBondContact O-N 3.35Å |
| 52 | L | 62.3 | Low | 72 | Confident | 125 Ų | 125 | 121.1 Ų | 121.1 | 65% | 0.654 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -70.3 | -18 | 174.3 | -64 | -180 | 0 | 0 | 0 | 113.7 | D49 P50 L54 | D49-L52 HydrophobicContact CB-CD1 3.87Å; D49-L52 HydrophobicContact CB-CG 3.93Å; P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 2.58Å; L52-L54 VanDerWaalsContact C-N 3.35Å |
| 53 | L | 59.1 | Low | 72.4 | Confident | 101 Ų | 101 | 118.8 Ų | 118.8 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -83.5 | -13.1 | 178.3 | -62.6 | 178.4 | 0 | 0 | 0 | 112.9 | P50 D51 L55 | P50-L53 PolarHBondContact O-N 2.88Å; D51-L53 VanDerWaalsContact C-N 3.25Å; D51-L53 PolarHBondContact O-N 2.04Å; L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 PolarHBondContact O-N 3.41Å |
| 54 | L | 57.9 | Low | 72.8 | Confident | 130 Ų | 130 | 115.5 Ų | 115.5 | 68% | 0.681 | 62% | 0.617 | S | S | * | * | trans | -92.1 | 39.4 | -177 | -62.8 | 176.2 | 0 | 0 | 0 | 112.2 | D51 L52 P56 | D51-L54 PolarHBondContact O-N 3.35Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L54-P56 WeakPolarHBondContact O-CD 3.33Å | ||
| 55 | L | 60.2 | Low | 72.9 | Confident | 150 Ų | 150 | 115.4 Ų | 115.4 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | trans | -63.3 | 113.6 | 170.8 | -73.7 | 172.6 | 0 | 0 | 0 | 108 | L53 S57 | L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 PolarHBondContact O-N 3.41Å; L55-S57 PolarHBondContact O-N 3.37Å; L55-S57 VanDerWaalsContact O-N 3.07Å | ||
| 56 | P | 55.2 | Low | 73 | Confident | 106 Ų | 106 | 113.3 Ų | 113.3 | 69% | 0.688 | 60% | 0.603 | S | S | * | * | trans | -61.8 | 121.4 | 178.4 | 23.9 | -30.4 | 0 | 0 | 0 | 107.6 | L54 R58 | L54-P56 WeakPolarHBondContact O-CD 3.33Å; P56-R58 PolarHBondContact O-N 3.28Å | ||
| 57 | S | 57.4 | Low | 73.5 | Confident | 105 Ų | 105 | 109.7 Ų | 109.7 | 73% | 0.734 | 59% | 0.586 | S | S | * | * | trans | -57.9 | 102.6 | 169.6 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | L55 N59 | L55-S57 PolarHBondContact O-N 3.37Å; L55-S57 VanDerWaalsContact O-N 3.07Å; S57-N59 PolarHBondContact O-N 3.36Å | ||
| 58 | R | 58.2 | Low | 74 | Confident | 234 Ų | 234 | 106.3 Ų | 106.3 | 88% | 0.883 | 57% | 0.573 | S | S | * | * | trans | -68.2 | 5.5 | -177.6 | -88.9 | -174.9 | 171.6 | -163.3 | -1.2 | 113.8 | P56 P60 | P56-R58 PolarHBondContact O-N 3.28Å; R58-P60 VanDerWaalsContact O-CD 3.31Å; R58-P60 WeakPolarHBondContact O-CD 3.08Å | ||
| 59 | N | 58.4 | Low | 74.6 | Confident | 95 Ų | 95 | 103.8 Ų | 103.8 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | trans | -102.1 | 106.1 | -179.7 | -83.5 | -45.2 | 0 | 0 | 0 | 111.1 | S57 R61 L63 | S57-N59 PolarHBondContact O-N 3.36Å; N59-R61 PolarHBondContact O-N 3.36Å; N59-R61 VanDerWaalsContact O-N 3.16Å; N59-L63 WeakPolarHBondContact ND2-CD1 3.42Å | ||
| 60 | P | 61.4 | Low | 75.4 | Confident | 127 Ų | 127 | 101.8 Ų | 101.8 | 83% | 0.825 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -68.2 | -10.6 | 176 | 28.5 | -34.8 | 0 | 0 | 0 | 112.7 | R58 | R58-P60 VanDerWaalsContact O-CD 3.31Å; R58-P60 WeakPolarHBondContact O-CD 3.08Å |
| 61 | R | 70.6 | Confident | 76.6 | Confident | 207 Ų | 207 | 99.1 Ų | 99.1 | 78% | 0.781 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -122.1 | 125.2 | 176.3 | -63.3 | -173.8 | -175.7 | -155.7 | 0.9 | 109.8 | N59 L63 | N59-R61 PolarHBondContact O-N 3.36Å; N59-R61 VanDerWaalsContact O-N 3.16Å; R61-L63 PolarHBondContact O-N 2.94Å; R61-L63 VanDerWaalsContact O-N 3.09Å |
| 62 | P | 83.4 | Confident | 78 | Confident | 70 Ų | 70 | 96.9 Ų | 96.9 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | trans | -68.1 | 110.9 | 178.1 | -13.8 | 26.1 | 0 | 0 | 0 | 111.4 | H64 N65 | P62-H64 WeakPolarHBondContact CB-CE1 3.06Å; P62-H64 VanDerWaalsContact CB-ND1 3.33Å; P62-H64 WeakPolarHBondContact CB-ND1 3.44Å; P62-H64 PolarHBondContact O-N 2.93Å; P62-H64 VanDerWaalsContact O-N 3.12Å; P62-N65 PolarHBondContact O-N 2.9Å; P62-N65 VanDerWaalsContact O-N 3.13Å | ||
| 63 | L | 90.8 | Very high | 79.6 | Confident | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -51.9 | -33.8 | 179.3 | -80.8 | 143.9 | 0 | 0 | 0 | 113 | N59 R61 N65 A66 S67 W71 | N59-L63 WeakPolarHBondContact ND2-CD1 3.42Å; R61-L63 PolarHBondContact O-N 2.94Å; R61-L63 VanDerWaalsContact O-N 3.09Å; L63-N65 PolarHBondContact O-N 2.94Å; L63-A66 PolarHBondContact O-N 2.75Å; L63-A66 VanDerWaalsContact O-N 3.11Å; L63-S67 WeakPolarHBondContact O-CB 3.28Å; L63-S67 PolarHBondContact O-N 3Å; L63-W71 HydrophobicContact CB-CH2 4.44Å |
| 64 | H | 93.3 | Very high | 81.3 | Confident | 46 Ų | 46 | 94.9 Ų | 94.9 | 21% | 0.213 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.1 | -29.4 | -178.3 | 65.7 | -102.7 | 0 | 0 | 0 | 113.9 | P62 P70 W71 Y73 | P62-H64 WeakPolarHBondContact CB-CE1 3.06Å; P62-H64 VanDerWaalsContact CB-ND1 3.33Å; P62-H64 WeakPolarHBondContact CB-ND1 3.44Å; P62-H64 PolarHBondContact O-N 2.93Å; P62-H64 VanDerWaalsContact O-N 3.12Å; H64-P70 VanDerWaalsContact O-CA 3.28Å; H64-P70 WeakPolarHBondContact O-CA 3.32Å; H64-P70 WeakPolarHBondContact O-CB 3.4Å; H64-W71 HydrophobicContact CB-CD2 3.63Å; H64-W71 HydrophobicContact CB-CE3 4.33Å; H64-W71 HydrophobicContact CB-CG 3.88Å; H64-W71 HydrophobicContact CB-CH2 4.43Å; H64-W71 HydrophobicContact CB-CZ2 3.74Å; H64-W71 WeakPolarHBondContact CB-O 3.33Å; H64-W71 PolarHBondContact CD2-O 2.92Å; H64-W71 PolarHBondContact O-N 2.89Å; H64-Y73 HydrophobicContact CB-CE2 4.49Å |
| 65 | N | 92.8 | Very high | 83 | Confident | 108 Ų | 108 | 92.5 Ų | 92.5 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -87.9 | -26.6 | 176.7 | -72.2 | -23.4 | 0 | 0 | 0 | 113.2 | P62 L63 | P62-N65 PolarHBondContact O-N 2.9Å; P62-N65 VanDerWaalsContact O-N 3.13Å; L63-N65 PolarHBondContact O-N 2.94Å |
| 66 | A | 92.6 | Very high | 84.5 | Confident | 86 Ų | 86 | 88.1 Ų | 88.1 | 71% | 0.711 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -91.4 | -10.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L63 | L63-A66 PolarHBondContact O-N 2.75Å; L63-A66 VanDerWaalsContact O-N 3.11Å |
| 67 | S | 95.9 | Very high | 86.4 | Confident | 28 Ų | 28 | 90.8 Ų | 90.8 | 20% | 0.196 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -68.6 | 144.4 | 178 | 180 | 0 | 0 | 0 | 0 | 112 | L63 S69 | L63-S67 WeakPolarHBondContact O-CB 3.28Å; L63-S67 PolarHBondContact O-N 3Å; S67-S69 PolarHBondContact O-N 3.34Å; S67-S69 PolarHBondContact OG-N 2.83Å; S67-S69 PolarHBondContact OG-O 3.01Å; S67-S69 VanDerWaalsContact OG-O 3.05Å; S67-S69 PolarHBondContact OG-OG 2.84Å |
| 68 | I | 97.3 | Very high | 88.1 | Confident | 92 Ų | 92 | 89 Ų | 89 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -68.2 | -20.2 | 168.1 | 61.6 | 169.7 | 0 | 0 | 0 | 112.4 | P70 C96 R97 C146 | I68-P70 VanDerWaalsContact C-CD 3.47Å; I68-P70 WeakPolarHBondContact O-CD 3.48Å; I68-C96 CarbonylContact O-C 3.59Å; I68-C96 WeakPolarHBondContact O-CA 3.36Å; I68-R97 HydrophobicContact CB-CB 4.33Å; I68-R97 WeakPolarHBondContact O-CB 3.42Å; I68-R97 PolarHBondContact O-N 2.83Å; I68-C146 HydrophobicContact CD1-CB 3.73Å; I68-C146 HydrophobicContact CG1-CB 4.03Å |
| 69 | S | 97.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -115.1 | 75.8 | 169.6 | 51.4 | 0 | 0 | 0 | 0 | 107.8 | S67 W71 S109 C144 T145 C146 | S67-S69 PolarHBondContact O-N 3.34Å; S67-S69 PolarHBondContact OG-N 2.83Å; S67-S69 PolarHBondContact OG-O 3.01Å; S67-S69 VanDerWaalsContact OG-O 3.05Å; S67-S69 PolarHBondContact OG-OG 2.84Å; S69-W71 VanDerWaalsContact O-CE3 3.24Å; S69-S109 WeakPolarHBondContact CA-OG 3.23Å; S69-S109 WeakPolarHBondContact CB-OG 3.07Å; S69-C144 WeakPolarHBondContact O-CB 3.35Å; S69-C144 PolarHBondContact OG-O 3.4Å; S69-C144 VanDerWaalsContact OG-O 3.09Å; S69-T145 WeakPolarHBondContact OG-CA 3.22Å; S69-T145 PolarHBondContact OG-N 3.41Å; S69-C146 PolarHBondContact OG-N 3.42Å |
| 70 | P | 97.4 | Very high | 91.4 | Very high | 18 Ų | 18 | 80.3 Ų | 80.3 | 12% | 0.117 | 43% | 0.426 | C | S | . | . | trans | -69.6 | 153.5 | -170 | 29.9 | -36 | 0 | 0 | 0 | 111.8 | H64 I68 L92 L93 | H64-P70 VanDerWaalsContact O-CA 3.28Å; H64-P70 WeakPolarHBondContact O-CA 3.32Å; H64-P70 WeakPolarHBondContact O-CB 3.4Å; I68-P70 VanDerWaalsContact C-CD 3.47Å; I68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-L92 HydrophobicContact CB-CD1 4.35Å; P70-L92 HydrophobicContact CG-CB 4.35Å; P70-L92 PolarHBondContact O-N 2.98Å; P70-L93 HydrophobicContact CG-CD1 3.9Å; P70-L93 HydrophobicContact CG-CG 3.95Å | ||
| 71 | W | 97.9 | Very high | 92.9 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 11% | 0.106 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160 | 179.3 | 66.6 | 94.1 | 0 | 0 | 0 | 112.1 | L63 H64 S69 Y73 A89 H90 C144 | L63-W71 HydrophobicContact CB-CH2 4.44Å; H64-W71 HydrophobicContact CB-CD2 3.63Å; H64-W71 HydrophobicContact CB-CE3 4.33Å; H64-W71 HydrophobicContact CB-CG 3.88Å; H64-W71 HydrophobicContact CB-CH2 4.43Å; H64-W71 HydrophobicContact CB-CZ2 3.74Å; H64-W71 WeakPolarHBondContact CB-O 3.33Å; H64-W71 PolarHBondContact CD2-O 2.92Å; H64-W71 PolarHBondContact O-N 2.89Å; S69-W71 VanDerWaalsContact O-CE3 3.24Å; W71-Y73 AromaticContact CD1-CE2 3.87Å; W71-Y73 AromaticContact CD1-CZ 3.76Å; W71-Y73 AromaticContact NE1-CE1 3.92Å; W71-Y73 AromaticContact NE1-CE2 3.44Å; W71-Y73 AromaticContact NE1-CZ 3.18Å; W71-Y73 PolarHBondContact NE1-OH 2.85Å; W71-A89 HydrophobicContact CB-CB 4.5Å; W71-A89 HydrophobicContact CG-CB 4.16Å; W71-H90 CarbonylContact C-O 3.57Å; W71-H90 WeakPolarHBondContact CA-O 3.4Å; W71-H90 VanDerWaalsContact CB-O 3.27Å; W71-H90 WeakPolarHBondContact CB-O 3.27Å; W71-C144 HydrophobicContact CB-CB 4.2Å; W71-C144 HydrophobicContact CD2-CB 4.46Å; W71-C144 HydrophobicContact CE3-CB 3.93Å; W71-C144 VanDerWaalsContact CE3-N 3.33Å; W71-C144 WeakPolarHBondContact CZ3-O 3.32Å |
| 72 | T | 96.9 | Very high | 93.8 | Very high | 70 Ų | 70 | 67 Ų | 67 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 165.7 | 166.6 | -170.6 | 0 | 0 | 0 | 0 | 109.6 | A89 H90 L92 | T72-A89 CarbonylContact O-C 3.5Å; T72-A89 WeakPolarHBondContact O-CA 3.45Å; T72-H90 HydrophobicContact CG2-CB 4.21Å; T72-H90 PolarHBondContact N-O 2.7Å; T72-H90 PolarHBondContact O-N 3.14Å; T72-L92 HydrophobicContact CG2-CD2 3.8Å |
| 73 | Y | 95.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128 | 174.2 | -71.4 | -76.2 | 0 | 0 | 0 | 110.7 | H64 W71 E88 A89 V142 | H64-Y73 HydrophobicContact CB-CE2 4.49Å; W71-Y73 AromaticContact CD1-CE2 3.87Å; W71-Y73 AromaticContact CD1-CZ 3.76Å; W71-Y73 AromaticContact NE1-CE1 3.92Å; W71-Y73 AromaticContact NE1-CE2 3.44Å; W71-Y73 AromaticContact NE1-CZ 3.18Å; W71-Y73 PolarHBondContact NE1-OH 2.85Å; Y73-E88 CarbonylContact C-O 3.54Å; Y73-E88 WeakPolarHBondContact CA-O 3.39Å; Y73-A89 HydrophobicContact CD1-CB 4.19Å; Y73-A89 HydrophobicContact CE1-CB 3.87Å; Y73-V142 PolarHBondContact OH-O 2.95Å |
| 74 | N | 95.6 | Very high | 94.2 | Very high | 93 Ų | 93 | 62.2 Ų | 62.2 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.3 | 162 | -173.9 | 6.8 | 0 | 0 | 0 | 108.2 | S87 E88 H90 | N74-S87 WeakPolarHBondContact O-CA 3.19Å; N74-E88 PolarHBondContact N-O 2.81Å; N74-E88 PolarHBondContact O-N 3.44Å; N74-H90 VanDerWaalsContact CB-CD2 3.46Å; N74-H90 WeakPolarHBondContact CB-CD2 3.36Å; N74-H90 WeakPolarHBondContact CB-NE2 3.46Å |
| 75 | T | 93.8 | Very high | 94.1 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.1 | -177.4 | -61.1 | 0 | 0 | 0 | 0 | 109.5 | V85 L86 S87 | T75-V85 HydrophobicContact CG2-CG1 3.27Å; T75-L86 WeakPolarHBondContact CA-O 3.38Å; T75-S87 PolarHBondContact OG1-OG 2.81Å |
| 76 | S | 92.5 | Very high | 94 | Very high | 57 Ų | 57 | 59 Ų | 59 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 151.3 | 177.2 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | V85 L86 | S76-V85 WeakPolarHBondContact O-CA 3.48Å; S76-L86 PolarHBondContact N-O 2.82Å; S76-L86 PolarHBondContact O-N 3.01Å; S76-L86 PolarHBondContact OG-O 3.45Å |
| 77 | R | 94.3 | Very high | 94.1 | Very high | 163 Ų | 163 | 57.6 Ų | 57.6 | 62% | 0.615 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.1 | 176.6 | 175.4 | 177 | -86.1 | -85.5 | 1.3 | 109.9 | E79 P84 | R77-E79 VanDerWaalsContact CD-OE1 3.24Å; R77-E79 WeakPolarHBondContact CD-OE1 3.4Å; R77-E79 IonicContact CZ-OE1 3.65Å; R77-E79 IonicContact NE-OE1 3.86Å; R77-E79 IonicContact NH1-OE1 2.7Å; R77-E79 PolarHBondContact NH1-OE1 2.81Å; R77-E79 IonicContact NH1-OE2 3.86Å; R77-P84 CarbonylContact C-O 3.54Å; R77-P84 VanDerWaalsContact CA-O 3.23Å; R77-P84 WeakPolarHBondContact CA-O 3.33Å |
| 78 | D | 93.6 | Very high | 94.1 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | trans | -135.1 | 107.2 | 175.1 | -176.7 | -12.7 | 0 | 0 | 0 | 109.1 | S80 L81 P84 | D78-S80 VanDerWaalsContact CG-OG 3.22Å; D78-S80 PolarHBondContact O-N 2.91Å; D78-S80 VanDerWaalsContact O-N 3.14Å; D78-S80 WeakPolarHBondContact OD1-CA 3.37Å; D78-S80 WeakPolarHBondContact OD1-CB 3.27Å; D78-S80 PolarHBondContact OD1-N 2.85Å; D78-S80 PolarHBondContact OD1-OG 2.83Å; D78-S80 PolarHBondContact OD2-OG 2.82Å; D78-L81 HydrophobicContact CB-CB 4.45Å; D78-L81 HydrophobicContact CB-CD1 4.01Å; D78-L81 HydrophobicContact CB-CG 4.07Å; D78-L81 PolarHBondContact O-N 2.9Å; D78-P84 PolarHBondContact N-O 3.34Å; D78-P84 WeakPolarHBondContact O-CA 3.49Å; D78-P84 WeakPolarHBondContact O-CB 3.3Å | ||
| 79 | E | 93.3 | Very high | 94.1 | Very high | 107 Ų | 107 | 55.1 Ų | 55.1 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.4 | -179.5 | -61.9 | -58 | 151.9 | 0 | 0 | 113.5 | R77 L81 | R77-E79 VanDerWaalsContact CD-OE1 3.24Å; R77-E79 WeakPolarHBondContact CD-OE1 3.4Å; R77-E79 IonicContact CZ-OE1 3.65Å; R77-E79 IonicContact NE-OE1 3.86Å; R77-E79 IonicContact NH1-OE1 2.7Å; R77-E79 PolarHBondContact NH1-OE1 2.81Å; R77-E79 IonicContact NH1-OE2 3.86Å; E79-L81 VanDerWaalsContact C-N 3.26Å |
| 80 | S | 92.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -9.4 | 172 | 80.3 | 0 | 0 | 0 | 0 | 112.8 | D78 K120 R121 | D78-S80 VanDerWaalsContact CG-OG 3.22Å; D78-S80 PolarHBondContact O-N 2.91Å; D78-S80 VanDerWaalsContact O-N 3.14Å; D78-S80 WeakPolarHBondContact OD1-CA 3.37Å; D78-S80 WeakPolarHBondContact OD1-CB 3.27Å; D78-S80 PolarHBondContact OD1-N 2.85Å; D78-S80 PolarHBondContact OD1-OG 2.83Å; D78-S80 PolarHBondContact OD2-OG 2.82Å; S80-K120 CarbonylContact O-C 3.55Å; S80-K120 WeakPolarHBondContact O-CA 3.22Å; S80-R121 PolarHBondContact O-N 3.4Å |
| 81 | L | 92.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 157 | -178.8 | -60.3 | -178.8 | 0 | 0 | 0 | 112.7 | D78 E79 P84 L86 V118 L119 K120 | D78-L81 HydrophobicContact CB-CB 4.45Å; D78-L81 HydrophobicContact CB-CD1 4.01Å; D78-L81 HydrophobicContact CB-CG 4.07Å; D78-L81 PolarHBondContact O-N 2.9Å; E79-L81 VanDerWaalsContact C-N 3.26Å; L81-P84 WeakPolarHBondContact O-CA 3.17Å; L81-L86 HydrophobicContact CD1-CD1 4.36Å; L81-V118 HydrophobicContact CD1-CG2 4.45Å; L81-V118 HydrophobicContact CD2-CG2 4.09Å; L81-L119 CarbonylContact C-O 3.57Å; L81-L119 VanDerWaalsContact CA-O 3.28Å; L81-L119 WeakPolarHBondContact CA-O 3.41Å; L81-K120 HydrophobicContact CD2-CB 3.75Å; L81-K120 HydrophobicContact CD2-CG 3.97Å |
| 82 | Y | 90.1 | Very high | 94.1 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 19% | 0.192 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.3 | 164 | -177.7 | -82.8 | 0 | 0 | 0 | 109.8 | L48 L119 | L48-Y82 HydrophobicContact CB-CE1 4.48Å; L48-Y82 HydrophobicContact CD1-CD1 4.14Å; L48-Y82 HydrophobicContact CD1-CD2 4.05Å; L48-Y82 HydrophobicContact CD1-CE1 4.14Å; L48-Y82 HydrophobicContact CD1-CE2 4.04Å; L48-Y82 HydrophobicContact CD1-CG 4.08Å; L48-Y82 HydrophobicContact CD2-CD1 4Å; L48-Y82 HydrophobicContact CD2-CE1 3.7Å; L48-Y82 HydrophobicContact CG-CE1 4.33Å; Y82-L119 HydrophobicContact CD1-CD1 4Å; Y82-L119 PolarHBondContact N-O 3.38Å; Y82-L119 PolarHBondContact O-N 3.33Å |
| 83 | P | 90.9 | Very high | 94.2 | Very high | 40 Ų | 40 | 62.3 Ų | 62.3 | 26% | 0.26 | 33% | 0.326 | S | S | . | . | S | Bend | cis | -61 | 148.6 | -10.6 | 28.5 | -34.8 | 0 | 0 | 0 | 111.1 | V85 | P83-V85 PolarHBondContact O-N 2.85Š|
| 84 | P | 90.8 | Very high | 94.2 | Very high | 36 Ų | 36 | 66.6 Ų | 66.6 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -76 | -10.5 | -175.7 | 30 | -35.1 | 0 | 0 | 0 | 112.9 | R77 D78 L81 | R77-P84 CarbonylContact C-O 3.54Å; R77-P84 VanDerWaalsContact CA-O 3.23Å; R77-P84 WeakPolarHBondContact CA-O 3.33Å; D78-P84 PolarHBondContact N-O 3.34Å; D78-P84 WeakPolarHBondContact O-CA 3.49Å; D78-P84 WeakPolarHBondContact O-CB 3.3Å; L81-P84 WeakPolarHBondContact O-CA 3.17Å |
| 85 | V | 91.2 | Very high | 94.3 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.7 | -177.5 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | T75 S76 P83 | T75-V85 HydrophobicContact CG2-CG1 3.27Å; S76-V85 WeakPolarHBondContact O-CA 3.48Å; P83-V85 PolarHBondContact O-N 2.85Å |
| 86 | L | 92 | Very high | 94.5 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134.9 | 173.7 | -69 | 174.4 | 0 | 0 | 0 | 109.8 | T75 S76 L81 V118 | T75-L86 WeakPolarHBondContact CA-O 3.38Å; S76-L86 PolarHBondContact N-O 2.82Å; S76-L86 PolarHBondContact O-N 3.01Å; S76-L86 PolarHBondContact OG-O 3.45Å; L81-L86 HydrophobicContact CD1-CD1 4.36Å; L86-V118 HydrophobicContact CD1-CG1 4.19Å; L86-V118 HydrophobicContact CD2-CG1 4.09Å |
| 87 | S | 93.3 | Very high | 94.7 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.1 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | N74 T75 | N74-S87 WeakPolarHBondContact O-CA 3.19Å; T75-S87 PolarHBondContact OG1-OG 2.81Å |
| 88 | E | 96.3 | Very high | 94.8 | Very high | 66 Ų | 66 | 57 Ų | 57 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.5 | 179.2 | -63.1 | -173.1 | 154.8 | 0 | 0 | 110 | Y73 N74 H90 V140 P141 | Y73-E88 CarbonylContact C-O 3.54Å; Y73-E88 WeakPolarHBondContact CA-O 3.39Å; N74-E88 PolarHBondContact N-O 2.81Å; N74-E88 PolarHBondContact O-N 3.44Å; E88-H90 PolarHBondContact O-CD2 2.98Å; E88-V140 HydrophobicContact CG-CG1 4.5Å; E88-P141 HydrophobicContact CB-CG 3.95Å |
| 89 | A | 97.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 134.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | W71 T72 Y73 P141 | W71-A89 HydrophobicContact CB-CB 4.5Å; W71-A89 HydrophobicContact CG-CB 4.16Å; T72-A89 CarbonylContact O-C 3.5Å; T72-A89 WeakPolarHBondContact O-CA 3.45Å; Y73-A89 HydrophobicContact CD1-CB 4.19Å; Y73-A89 HydrophobicContact CE1-CB 3.87Å; A89-P141 HydrophobicContact CB-CB 4.3Å; A89-P141 WeakPolarHBondContact CB-O 3.23Å; A89-P141 PolarHBondContact N-O 3.46Å; A89-P141 WeakPolarHBondContact O-CB 3.46Å; A89-P141 WeakPolarHBondContact O-CG 3.41Å |
| 90 | H | 97.8 | Very high | 95 | Very high | 82 Ų | 82 | 63.5 Ų | 63.5 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.5 | 172.9 | -66.4 | -79.6 | 0 | 0 | 0 | 110.2 | W71 T72 N74 E88 | W71-H90 CarbonylContact C-O 3.57Å; W71-H90 WeakPolarHBondContact CA-O 3.4Å; W71-H90 VanDerWaalsContact CB-O 3.27Å; W71-H90 WeakPolarHBondContact CB-O 3.27Å; T72-H90 HydrophobicContact CG2-CB 4.21Å; T72-H90 PolarHBondContact N-O 2.7Å; T72-H90 PolarHBondContact O-N 3.14Å; N74-H90 VanDerWaalsContact CB-CD2 3.46Å; N74-H90 WeakPolarHBondContact CB-CD2 3.36Å; N74-H90 WeakPolarHBondContact CB-NE2 3.46Å; E88-H90 PolarHBondContact O-CD2 2.98Å |
| 91 | C | 98.1 | Very high | 95.1 | Very high | 40 Ų | 40 | 63 Ų | 63 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134.4 | 178.6 | -44.9 | 0 | 0 | 0 | 0 | 110.2 | C144 | C91-C144 WeakPolarHBondContact CA-SG 3.2Å; C91-C144 HydrophobicContact CB-CB 3.97Å; C91-C144 WeakPolarHBondContact CB-SG 3.38Å; C91-C144 PolarHBondContact N-SG 2.89Å; C91-C144 VanDerWaalsContact N-SG 3.35Å; C91-C144 WeakPolarHBondContact SG-CB 3.35Å; C91-C144 CovalentContact SG-SG 2.04Å; C91-C144 PolarHBondContact SG-SG 2.97Å |
| 92 | L | 97.6 | Very high | 95.3 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -86.5 | -23.8 | -177 | -65.2 | 175.6 | 0 | 0 | 0 | 113 | P70 T72 | P70-L92 HydrophobicContact CB-CD1 4.35Å; P70-L92 HydrophobicContact CG-CB 4.35Å; P70-L92 PolarHBondContact O-N 2.98Å; T72-L92 HydrophobicContact CG2-CD2 3.8Å |
| 93 | L | 97.6 | Very high | 95.6 | Very high | 49 Ų | 49 | 71.1 Ų | 71.1 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | trans | -114.3 | 158.5 | 179.9 | -58.2 | -178.1 | 0 | 0 | 0 | 110.5 | P70 E103 S109 | P70-L93 HydrophobicContact CG-CD1 3.9Å; P70-L93 HydrophobicContact CG-CG 3.95Å; L93-E103 HydrophobicContact CD1-CG 4.48Å; L93-S109 VanDerWaalsContact O-CB 3.27Å; L93-S109 WeakPolarHBondContact O-CB 3.28Å | ||
| 94 | K | 97.3 | Very high | 95.9 | Very high | 183 Ų | 183 | 71.4 Ų | 71.4 | 80% | 0.796 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -87.8 | -45.9 | 170 | -69.5 | -178 | -179.7 | 177.6 | 0 | 110.3 | E103 Q108 S109 | K94-E103 PolarHBondContact N-OE1 2.8Å; K94-Q108 WeakPolarHBondContact O-CA 3.36Å; K94-S109 PolarHBondContact O-N 3.1Å |
| 95 | G | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 76.8 Ų | 76.8 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -84.9 | -155.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | E103 D104 L107 S109 | G95-E103 PolarHBondContact N-OE1 3.02Å; G95-D104 WeakPolarHBondContact CA-O 3.39Å; G95-L107 WeakPolarHBondContact CA-O 3.47Å; G95-S109 VanDerWaalsContact O-CB 3.3Å; G95-S109 WeakPolarHBondContact O-CB 3.36Å; G95-S109 PolarHBondContact O-N 2.86Å; G95-S109 PolarHBondContact O-OG 2.82Å |
| 96 | C | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 159.6 | 174.8 | -52.6 | 0 | 0 | 0 | 0 | 110.7 | I68 E103 D104 L107 C146 | I68-C96 CarbonylContact O-C 3.59Å; I68-C96 WeakPolarHBondContact O-CA 3.36Å; C96-E103 CarbonylContact O-C 3.57Å; C96-E103 WeakPolarHBondContact O-CA 2.99Å; C96-D104 PolarHBondContact N-O 2.83Å; C96-D104 VanDerWaalsContact N-O 3.14Å; C96-D104 PolarHBondContact O-N 3.02Å; C96-L107 HydrophobicContact CB-CB 4.02Å; C96-L107 HydrophobicContact CB-CD1 4.1Å; C96-L107 VanDerWaalsContact SG-CB 3.54Å; C96-C146 HydrophobicContact CB-CB 3.94Å; C96-C146 WeakPolarHBondContact CB-SG 3.48Å; C96-C146 WeakPolarHBondContact SG-CA 3.27Å; C96-C146 WeakPolarHBondContact SG-CB 3.39Å; C96-C146 CovalentContact SG-SG 2.02Å; C96-C146 PolarHBondContact SG-SG 2.95Å |
| 97 | R | 97.6 | Very high | 96.4 | Very high | 135 Ų | 135 | 80.6 Ų | 80.6 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 129.3 | 178.5 | -153.5 | 168.7 | -161.9 | -178.2 | -2.2 | 111 | I68 G101 K102 | I68-R97 HydrophobicContact CB-CB 4.33Å; I68-R97 WeakPolarHBondContact O-CB 3.42Å; I68-R97 PolarHBondContact O-N 2.83Å; R97-G101 VanDerWaalsContact NE-CA 3.32Å; R97-G101 PolarHBondContact NE-O 3.42Å; R97-G101 PolarHBondContact NH2-O 2.91Å; R97-K102 CarbonylContact C-O 3.55Å; R97-K102 VanDerWaalsContact CA-O 3.28Å; R97-K102 WeakPolarHBondContact CA-O 3.49Å |
| 98 | D | 95.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 81 Ų | 81 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | trans | -83 | -175.1 | 172.7 | 66.2 | 19.4 | 0 | 0 | 0 | 112.1 | E100 G101 K102 | D98-E100 VanDerWaalsContact C-N 3.26Å; D98-E100 PolarHBondContact O-N 3.05Å; D98-E100 WeakPolarHBondContact OD1-CA 3.49Å; D98-E100 PolarHBondContact OD1-N 3.02Å; D98-G101 PolarHBondContact O-N 2.61Å; D98-G101 PolarHBondContact OD1-N 3.21Å; D98-K102 PolarHBondContact N-O 2.76Å; D98-K102 PolarHBondContact OD1-N 2.86Å; D98-K102 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 99 | L | 95.6 | Very high | 96.7 | Very high | 171 Ų | 171 | 78.4 Ų | 78.4 | 90% | 0.895 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28 | -179.2 | -63 | 176.8 | 0 | 0 | 0 | 112.6 | G101 | L99-G101 VanDerWaalsContact C-N 3.28Š|
| 100 | E | 95.8 | Very high | 96.7 | Very high | 139 Ų | 139 | 84.8 Ų | 84.8 | 65% | 0.65 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.9 | 178.4 | -65.6 | 66.6 | -132.1 | 0 | 0 | 112.3 | D98 | D98-E100 VanDerWaalsContact C-N 3.26Å; D98-E100 PolarHBondContact O-N 3.05Å; D98-E100 WeakPolarHBondContact OD1-CA 3.49Å; D98-E100 PolarHBondContact OD1-N 3.02Å |
| 101 | G | 93.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 82.7 Ų | 82.7 | 28% | 0.278 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 84.7 | 11.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R97 D98 L99 | R97-G101 VanDerWaalsContact NE-CA 3.32Å; R97-G101 PolarHBondContact NE-O 3.42Å; R97-G101 PolarHBondContact NH2-O 2.91Å; D98-G101 PolarHBondContact O-N 2.61Å; D98-G101 PolarHBondContact OD1-N 3.21Å; L99-G101 VanDerWaalsContact C-N 3.28Å |
| 102 | K | 96.6 | Very high | 96.7 | Very high | 147 Ų | 147 | 84.6 Ų | 84.6 | 64% | 0.639 | 41% | 0.409 | S | S | * | . | trans | -92.6 | 160.9 | 176 | -61.6 | 175.3 | -179.1 | 171.5 | 0 | 110.7 | R97 D98 | R97-K102 CarbonylContact C-O 3.55Å; R97-K102 VanDerWaalsContact CA-O 3.28Å; R97-K102 WeakPolarHBondContact CA-O 3.49Å; D98-K102 PolarHBondContact N-O 2.76Å; D98-K102 PolarHBondContact OD1-N 2.86Å; D98-K102 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 103 | E | 97.3 | Very high | 96.7 | Very high | 78 Ų | 78 | 87 Ų | 87 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113.4 | 178.3 | -172.3 | 175.9 | 179.3 | 0 | 0 | 110.5 | L93 K94 G95 C96 | L93-E103 HydrophobicContact CD1-CG 4.48Å; K94-E103 PolarHBondContact N-OE1 2.8Å; G95-E103 PolarHBondContact N-OE1 3.02Å; C96-E103 CarbonylContact O-C 3.57Å; C96-E103 WeakPolarHBondContact O-CA 2.99Å |
| 104 | D | 96.3 | Very high | 96.7 | Very high | 47 Ų | 47 | 91.9 Ų | 91.9 | 25% | 0.251 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 111.3 | 168.1 | -179.4 | 12.3 | 0 | 0 | 0 | 110.1 | G95 C96 N106 | G95-D104 WeakPolarHBondContact CA-O 3.39Å; C96-D104 PolarHBondContact N-O 2.83Å; C96-D104 VanDerWaalsContact N-O 3.14Å; C96-D104 PolarHBondContact O-N 3.02Å; D104-N106 VanDerWaalsContact C-N 3.29Å; D104-N106 PolarHBondContact O-N 3.04Å; D104-N106 VanDerWaalsContact OD1-CB 3.26Å; D104-N106 WeakPolarHBondContact OD1-CB 3.37Å; D104-N106 PolarHBondContact OD1-N 3.31Å; D104-N106 PolarHBondContact OD1-ND2 3.49Å |
| 105 | Q | 95.1 | Very high | 96.6 | Very high | 149 Ų | 149 | 89.2 Ų | 89.2 | 70% | 0.696 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3.8 | 179 | -63.9 | -169.9 | -18 | 0 | 0 | 113.6 | L107 H149 | Q105-L107 PolarHBondContact O-N 2.8Å; Q105-H149 PolarHBondContact O-CE1 3.14Å; Q105-H149 VanDerWaalsContact O-CE1 3.28Å |
| 106 | N | 93.4 | Very high | 96.4 | Very high | 123 Ų | 123 | 90.8 Ų | 90.8 | 66% | 0.658 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.4 | 171.2 | -58 | -63 | 0 | 0 | 0 | 112.5 | D104 H149 | D104-N106 VanDerWaalsContact C-N 3.29Å; D104-N106 PolarHBondContact O-N 3.04Å; D104-N106 VanDerWaalsContact OD1-CB 3.26Å; D104-N106 WeakPolarHBondContact OD1-CB 3.37Å; D104-N106 PolarHBondContact OD1-N 3.31Å; D104-N106 PolarHBondContact OD1-ND2 3.49Å; N106-H149 PolarHBondContact O-CE1 2.98Å; N106-H149 PolarHBondContact O-ND1 2.76Å |
| 107 | L | 96.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 97.2 Ų | 97.2 | 23% | 0.225 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 169.6 | 174.2 | -58.7 | 172.8 | 0 | 0 | 0 | 110 | G95 C96 Q105 V147 R148 | G95-L107 WeakPolarHBondContact CA-O 3.47Å; C96-L107 HydrophobicContact CB-CB 4.02Å; C96-L107 HydrophobicContact CB-CD1 4.1Å; C96-L107 VanDerWaalsContact SG-CB 3.54Å; Q105-L107 PolarHBondContact O-N 2.8Å; L107-V147 CarbonylContact C-O 3.54Å; L107-V147 WeakPolarHBondContact CA-O 3.22Å; L107-R148 HydrophobicContact CD2-CG 3.8Å |
| 108 | Q | 97.6 | Very high | 96 | Very high | 65 Ų | 65 | 90.9 Ų | 90.9 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.8 | 176.9 | -61.2 | -172.4 | -3.3 | 0 | 0 | 111.3 | K94 R110 C146 V147 H149 | K94-Q108 WeakPolarHBondContact O-CA 3.36Å; Q108-R110 HydrophobicContact CB-CG 4.12Å; Q108-C146 WeakPolarHBondContact O-CA 3.32Å; Q108-V147 HydrophobicContact CB-CG2 4.02Å; Q108-V147 PolarHBondContact N-O 2.98Å; Q108-V147 PolarHBondContact O-N 3.49Å; Q108-H149 PolarHBondContact NE2-CD2 3.44Å; Q108-H149 PolarHBondContact NE2-NE2 3.06Å |
| 109 | S | 98.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 89.4 Ų | 89.4 | 8% | 0.077 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 119 | 163.1 | -78.8 | 0 | 0 | 0 | 0 | 109.4 | S69 L93 K94 G95 T145 | S69-S109 WeakPolarHBondContact CA-OG 3.23Å; S69-S109 WeakPolarHBondContact CB-OG 3.07Å; L93-S109 VanDerWaalsContact O-CB 3.27Å; L93-S109 WeakPolarHBondContact O-CB 3.28Å; K94-S109 PolarHBondContact O-N 3.1Å; G95-S109 VanDerWaalsContact O-CB 3.3Å; G95-S109 WeakPolarHBondContact O-CB 3.36Å; G95-S109 PolarHBondContact O-N 2.86Å; G95-S109 PolarHBondContact O-OG 2.82Å; S109-T145 WeakPolarHBondContact CA-O 3.43Å |
| 110 | R | 98 | Very high | 95.9 | Very high | 135 Ų | 135 | 84.8 Ų | 84.8 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.5 | -178.8 | -62.6 | -64.3 | -66.9 | 169.3 | -3.8 | 110.9 | Q108 C144 T145 V147 | Q108-R110 HydrophobicContact CB-CG 4.12Å; R110-C144 CarbonylContact O-C 3.57Å; R110-C144 VanDerWaalsContact O-CA 3.32Å; R110-C144 WeakPolarHBondContact O-CA 3.3Å; R110-T145 PolarHBondContact N-O 3.31Å; R110-T145 PolarHBondContact O-N 3.25Å; R110-V147 HydrophobicContact CB-CG2 4.42Å; R110-V147 HydrophobicContact CG-CG2 3.58Å |
| 111 | P | 98 | Very high | 95.7 | Very high | 38 Ų | 38 | 82.8 Ų | 82.8 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 140.7 | 175.6 | 28 | -33.9 | 0 | 0 | 0 | 110.7 | W113 P141 G143 | P111-W113 HydrophobicContact CG-CZ2 4.46Å; P111-P141 HydrophobicContact CB-CB 3.9Å; P111-G143 CarbonylContact C-O 3.4Å; P111-G143 WeakPolarHBondContact CA-O 3.23Å |
| 112 | I | 98.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 83.2 Ų | 83.2 | 41% | 0.41 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.4 | 169.2 | -53.4 | 175 | 0 | 0 | 0 | 107.4 | P141 V142 G143 T145 | I112-P141 CarbonylContact O-C 3.53Å; I112-P141 WeakPolarHBondContact O-CA 3.39Å; I112-V142 HydrophobicContact CB-CG2 4.31Å; I112-V142 HydrophobicContact CG2-CG2 4.25Å; I112-V142 PolarHBondContact O-N 2.81Å; I112-G143 PolarHBondContact N-O 2.83Å; I112-T145 HydrophobicContact CD1-CG2 4.36Å; I112-T145 HydrophobicContact CG1-CG2 3.89Å |
| 113 | W | 97.8 | Very high | 95.1 | Very high | 151 Ų | 151 | 85 Ų | 85 | 57% | 0.572 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 139.4 | 179.6 | -67.1 | 90.5 | 0 | 0 | 0 | 111.3 | P111 N139 P141 | P111-W113 HydrophobicContact CG-CZ2 4.46Å; W113-N139 HydrophobicContact CE3-CB 4.15Å; W113-N139 HydrophobicContact CZ3-CB 4.5Å; W113-P141 HydrophobicContact CH2-CG 4.47Å; W113-P141 HydrophobicContact CZ3-CG 4.38Å |
| 114 | Y | 96.4 | Very high | 94.1 | Very high | 151 Ų | 151 | 83.5 Ų | 83.5 | 59% | 0.592 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.9 | 174 | -164.2 | -102.9 | 0 | 0 | 0 | 111.3 | V116 N139 V140 | Y114-V116 HydrophobicContact CD1-CG1 3.93Å; Y114-N139 WeakPolarHBondContact O-CA 3.48Å; Y114-V140 PolarHBondContact N-O 2.93Å; Y114-V140 PolarHBondContact O-N 3.48Å |
| 115 | Q | 96.1 | Very high | 92.8 | Very high | 126 Ų | 126 | 89.4 Ų | 89.4 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 109.3 | 174.6 | -76.8 | 179.1 | 0.4 | 0 | 0 | 109.6 | T137 R138 N139 | Q115-T137 HydrophobicContact CB-CG2 3.8Å; Q115-T137 HydrophobicContact CG-CG2 3.95Å; Q115-R138 CarbonylContact C-O 3.58Å; Q115-R138 WeakPolarHBondContact CA-O 3.31Å; Q115-N139 WeakPolarHBondContact CG-OD1 3.24Å |
| 116 | V | 93 | Very high | 91.4 | Very high | 35 Ų | 35 | 90.3 Ų | 90.3 | 21% | 0.212 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 149.1 | 173.7 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | Y114 T137 R138 V140 | Y114-V116 HydrophobicContact CD1-CG1 3.93Å; V116-T137 CarbonylContact O-C 3.6Å; V116-T137 WeakPolarHBondContact O-CA 3.37Å; V116-R138 HydrophobicContact CG2-CB 3.95Å; V116-R138 WeakPolarHBondContact CG2-O 3.46Å; V116-R138 PolarHBondContact N-O 3.47Å; V116-R138 PolarHBondContact O-N 3.03Å; V116-V140 HydrophobicContact CB-CG2 4.33Å; V116-V140 HydrophobicContact CG1-CG2 3.61Å; V116-V140 HydrophobicContact CG2-CG1 3.98Å; V116-V140 HydrophobicContact CG2-CG2 3.76Å |
| 117 | M | 93.4 | Very high | 89.7 | Confident | 136 Ų | 136 | 88.6 Ų | 88.6 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.9 | 174.2 | -69.2 | -173.2 | -67 | 0 | 0 | 110.2 | L135 E136 | M117-L135 HydrophobicContact CB-CD1 4.01Å; M117-L135 HydrophobicContact CG-CD1 4.44Å; M117-L135 HydrophobicContact SD-CD1 4.29Å; M117-L135 HydrophobicContact SD-CD2 4.14Å; M117-E136 WeakPolarHBondContact CA-O 2.98Å |
| 118 | V | 93.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 95.5 Ų | 95.5 | 1% | 0.012 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 153.8 | 174.8 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | L81 L86 E136 R138 | L81-V118 HydrophobicContact CD1-CG2 4.45Å; L81-V118 HydrophobicContact CD2-CG2 4.09Å; L86-V118 HydrophobicContact CD1-CG1 4.19Å; L86-V118 HydrophobicContact CD2-CG1 4.09Å; V118-E136 HydrophobicContact CG2-CB 3.96Å; V118-E136 PolarHBondContact N-O 3.3Å; V118-E136 PolarHBondContact O-N 2.86Å; V118-R138 HydrophobicContact CG2-CG 3.84Å |
| 119 | L | 94.1 | Very high | 86.1 | Confident | 24 Ų | 24 | 100.4 Ų | 100.4 | 13% | 0.126 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.6 | 176 | -59.1 | 168.4 | 0 | 0 | 0 | 109.3 | L46 L48 L81 Y82 Y133 L135 | L46-L119 HydrophobicContact CD2-CD1 3.39Å; L46-L119 HydrophobicContact CD2-CD2 4.13Å; L46-L119 HydrophobicContact CD2-CG 4.42Å; L48-L119 HydrophobicContact CD2-CD1 3.7Å; L81-L119 CarbonylContact C-O 3.57Å; L81-L119 VanDerWaalsContact CA-O 3.28Å; L81-L119 WeakPolarHBondContact CA-O 3.41Å; Y82-L119 HydrophobicContact CD1-CD1 4Å; Y82-L119 PolarHBondContact N-O 3.38Å; Y82-L119 PolarHBondContact O-N 3.33Å; L119-Y133 HydrophobicContact CB-CD1 3.55Å; L119-Y133 HydrophobicContact CB-CE1 4.2Å; L119-Y133 HydrophobicContact CB-CG 4.09Å; L119-L135 HydrophobicContact CD2-CB 4.42Å; L119-L135 HydrophobicContact CD2-CD1 3.71Å |
| 120 | K | 94.6 | Very high | 85.2 | Confident | 73 Ų | 73 | 102 Ų | 102 | 32% | 0.317 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.6 | 176.9 | -173.6 | 175.7 | -175 | 172.6 | 0 | 111.6 | S80 L81 Y133 R134 E136 | S80-K120 CarbonylContact O-C 3.55Å; S80-K120 WeakPolarHBondContact O-CA 3.22Å; L81-K120 HydrophobicContact CD2-CB 3.75Å; L81-K120 HydrophobicContact CD2-CG 3.97Å; K120-Y133 CarbonylContact O-C 3.55Å; K120-Y133 WeakPolarHBondContact O-CA 3.24Å; K120-R134 PolarHBondContact N-O 3.01Å; K120-R134 PolarHBondContact O-N 3.31Å; K120-E136 HydrophobicContact CB-CG 4.21Å; K120-E136 VanDerWaalsContact CD-CD 3.49Å; K120-E136 WeakPolarHBondContact CD-OE1 3.47Å; K120-E136 IonicContact NZ-OE1 3.56Å |
| 121 | R | 92.6 | Very high | 84.5 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 37% | 0.37 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 124.7 | 173.3 | -63 | 179.7 | -171.4 | -173.6 | 1.7 | 109.7 | S80 Y131 Y133 | S80-R121 PolarHBondContact O-N 3.4Å; R121-Y131 HydrophobicContact CB-CD2 4.12Å; R121-Y131 HydrophobicContact CG-CD2 3.91Å; R121-Y131 HydrophobicContact CG-CE2 4.01Å; R121-Y133 HydrophobicContact CG-CD1 3.96Å; R121-Y133 HydrophobicContact CG-CE1 3.41Å; R121-Y133 VanDerWaalsContact CG-CE1 3.41Å; R121-Y133 PolarHBondContact NE-OH 3.03Å |
| 122 | V | 90.5 | Very high | 84.1 | Confident | 35 Ų | 35 | 103.1 Ų | 103.1 | 21% | 0.212 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.6 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 108 | Y131 H132 R134 | V122-Y131 VanDerWaalsContact O-CA 3.24Å; V122-Y131 WeakPolarHBondContact O-CA 3.38Å; V122-Y131 WeakPolarHBondContact O-CB 3.38Å; V122-H132 PolarHBondContact N-O 3.44Å; V122-H132 PolarHBondContact O-N 2.91Å; V122-R134 HydrophobicContact CG2-CB 4.04Å |
| 123 | K | 86.3 | Confident | 83.8 | Confident | 186 Ų | 186 | 102.5 Ų | 102.5 | 81% | 0.809 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 141 | 175.6 | -64.7 | -173.7 | 178.9 | -174 | 0 | 110.1 | ||
| 124 | T | 77.4 | Confident | 83.5 | Confident | 46 Ų | 46 | 100.9 Ų | 100.9 | 28% | 0.282 | 47% | 0.472 | S | S | . | . | trans | -97.4 | 139.7 | 170.8 | -46 | 0 | 0 | 0 | 0 | 108.7 | E126 S130 | T124-E126 HydrophobicContact CG2-CB 4.3Å; T124-E126 HydrophobicContact CG2-CG 4.23Å; T124-E126 PolarHBondContact O-N 3.05Å; T124-E126 VanDerWaalsContact O-N 3.1Å; T124-S130 PolarHBondContact N-O 3.4Å; T124-S130 PolarHBondContact OG1-O 2.94Å | ||
| 125 | N | 69.6 | Low | 83.4 | Confident | 170 Ų | 170 | 98.8 Ų | 98.8 | 91% | 0.909 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -3.4 | -175.8 | -65 | -22.9 | 0 | 0 | 0 | 113.9 | ||
| 126 | E | 63.9 | Low | 83.3 | Confident | 169 Ų | 169 | 94.9 Ų | 94.9 | 79% | 0.79 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -20.2 | -164.6 | -64.4 | -179.6 | -179.9 | 0 | 0 | 113.6 | T124 | T124-E126 HydrophobicContact CG2-CB 4.3Å; T124-E126 HydrophobicContact CG2-CG 4.23Å; T124-E126 PolarHBondContact O-N 3.05Å; T124-E126 VanDerWaalsContact O-N 3.1Å |
| 127 | T | 59 | Low | 83.4 | Confident | 86 Ų | 86 | 97.4 Ų | 97.4 | 53% | 0.528 | 47% | 0.468 | S | S | . | . | trans | -157.5 | 140.6 | 173.6 | 43.6 | 0 | 0 | 0 | 0 | 110.3 | H129 S130 | T127-H129 PolarHBondContact O-N 3.26Å; T127-S130 PolarHBondContact O-N 3.5Å; T127-S130 WeakPolarHBondContact OG1-CB 3.45Å; T127-S130 PolarHBondContact OG1-OG 3.4Å | ||
| 128 | E | 58.1 | Low | 83.4 | Confident | 189 Ų | 189 | 95.4 Ų | 95.4 | 88% | 0.883 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -9.6 | -176.7 | -80.4 | -163.4 | 136 | 0 | 0 | 115.2 | ||
| 129 | H | 60.6 | Low | 83.5 | Confident | 168 Ų | 168 | 100 Ų | 100 | 78% | 0.778 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | 8.5 | -172.8 | -56.9 | -40.2 | 0 | 0 | 0 | 115.2 | T127 | T127-H129 PolarHBondContact O-N 3.26Š|
| 130 | S | 77.6 | Confident | 83.6 | Confident | 44 Ų | 44 | 99.1 Ų | 99.1 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | trans | -102.7 | 120.1 | 174 | 64.9 | 0 | 0 | 0 | 0 | 112 | T124 T127 | T124-S130 PolarHBondContact N-O 3.4Å; T124-S130 PolarHBondContact OG1-O 2.94Å; T127-S130 PolarHBondContact O-N 3.5Å; T127-S130 WeakPolarHBondContact OG1-CB 3.45Å; T127-S130 PolarHBondContact OG1-OG 3.4Å | ||
| 131 | Y | 85 | Confident | 83.8 | Confident | 119 Ų | 119 | 96 Ų | 96 | 47% | 0.467 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.3 | 170.3 | 65.3 | -88 | 0 | 0 | 0 | 110.2 | R121 V122 Y133 | R121-Y131 HydrophobicContact CB-CD2 4.12Å; R121-Y131 HydrophobicContact CG-CD2 3.91Å; R121-Y131 HydrophobicContact CG-CE2 4.01Å; V122-Y131 VanDerWaalsContact O-CA 3.24Å; V122-Y131 WeakPolarHBondContact O-CA 3.38Å; V122-Y131 WeakPolarHBondContact O-CB 3.38Å; Y131-Y133 HydrophobicContact CD2-CE2 4.42Å; Y131-Y133 HydrophobicContact CE2-CD2 4.46Å; Y131-Y133 HydrophobicContact CE2-CE1 4.48Å; Y131-Y133 AromaticContact CE2-CE2 3.73Å; Y131-Y133 HydrophobicContact CE2-CE2 3.73Å; Y131-Y133 AromaticContact CE2-CZ 3.76Å |
| 132 | H | 88.3 | Confident | 83.9 | Confident | 78 Ų | 78 | 94.2 Ų | 94.2 | 36% | 0.361 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 159.4 | 168.1 | 62.2 | -85.3 | 0 | 0 | 0 | 109.8 | V122 | V122-H132 PolarHBondContact N-O 3.44Å; V122-H132 PolarHBondContact O-N 2.91Å |
| 133 | Y | 91.5 | Very high | 84.3 | Confident | 67 Ų | 67 | 92.7 Ų | 92.7 | 26% | 0.263 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 139.9 | 172.5 | -71.7 | -78.3 | 0 | 0 | 0 | 110.8 | L48 L119 K120 R121 Y131 | L48-Y133 HydrophobicContact CD1-CE2 4.32Å; L119-Y133 HydrophobicContact CB-CD1 3.55Å; L119-Y133 HydrophobicContact CB-CE1 4.2Å; L119-Y133 HydrophobicContact CB-CG 4.09Å; K120-Y133 CarbonylContact O-C 3.55Å; K120-Y133 WeakPolarHBondContact O-CA 3.24Å; R121-Y133 HydrophobicContact CG-CD1 3.96Å; R121-Y133 HydrophobicContact CG-CE1 3.41Å; R121-Y133 VanDerWaalsContact CG-CE1 3.41Å; R121-Y133 PolarHBondContact NE-OH 3.03Å; Y131-Y133 HydrophobicContact CD2-CE2 4.42Å; Y131-Y133 HydrophobicContact CE2-CD2 4.46Å; Y131-Y133 HydrophobicContact CE2-CE1 4.48Å; Y131-Y133 AromaticContact CE2-CE2 3.73Å; Y131-Y133 HydrophobicContact CE2-CE2 3.73Å; Y131-Y133 AromaticContact CE2-CZ 3.76Å |
| 134 | R | 92.6 | Very high | 84.8 | Confident | 116 Ų | 116 | 84.1 Ų | 84.1 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.5 | 165.9 | -177.5 | 176.4 | -64.1 | 168.6 | 6 | 108.7 | K120 V122 E136 | K120-R134 PolarHBondContact N-O 3.01Å; K120-R134 PolarHBondContact O-N 3.31Å; V122-R134 HydrophobicContact CG2-CB 4.04Å; R134-E136 PolarHBondContact O-N 2.97Å |
| 135 | L | 93.6 | Very high | 85.8 | Confident | 108 Ų | 108 | 84.7 Ų | 84.7 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 126 | 171.9 | -169.8 | 66.3 | 0 | 0 | 0 | 109.5 | M117 L119 | M117-L135 HydrophobicContact CB-CD1 4.01Å; M117-L135 HydrophobicContact CG-CD1 4.44Å; M117-L135 HydrophobicContact SD-CD1 4.29Å; M117-L135 HydrophobicContact SD-CD2 4.14Å; L119-L135 HydrophobicContact CD2-CB 4.42Å; L119-L135 HydrophobicContact CD2-CD1 3.71Å |
| 136 | E | 94.2 | Very high | 87.2 | Confident | 43 Ų | 43 | 78 Ų | 78 | 20% | 0.201 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.9 | 174.4 | -66.6 | -168.9 | 170.1 | 0 | 0 | 110 | M117 V118 K120 R134 R138 | M117-E136 WeakPolarHBondContact CA-O 2.98Å; V118-E136 HydrophobicContact CG2-CB 3.96Å; V118-E136 PolarHBondContact N-O 3.3Å; V118-E136 PolarHBondContact O-N 2.86Å; K120-E136 HydrophobicContact CB-CG 4.21Å; K120-E136 VanDerWaalsContact CD-CD 3.49Å; K120-E136 WeakPolarHBondContact CD-OE1 3.47Å; K120-E136 IonicContact NZ-OE1 3.56Å; R134-E136 PolarHBondContact O-N 2.97Å; E136-R138 IonicContact OE2-CZ 3.78Å; E136-R138 IonicContact OE2-NE 3.61Å; E136-R138 IonicContact OE2-NH2 3.02Å; E136-R138 PolarHBondContact OE2-NH2 2.96Å |
| 137 | T | 95 | Very high | 88.7 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.5 | 170.2 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | Q115 V116 | Q115-T137 HydrophobicContact CB-CG2 3.8Å; Q115-T137 HydrophobicContact CG-CG2 3.95Å; V116-T137 CarbonylContact O-C 3.6Å; V116-T137 WeakPolarHBondContact O-CA 3.37Å |
| 138 | R | 93.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 78.5 Ų | 78.5 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135 | 172.7 | -63.1 | -64.9 | -179.8 | 116.1 | 1.4 | 109.9 | Q115 V116 V118 E136 V140 | Q115-R138 CarbonylContact C-O 3.58Å; Q115-R138 WeakPolarHBondContact CA-O 3.31Å; V116-R138 HydrophobicContact CG2-CB 3.95Å; V116-R138 WeakPolarHBondContact CG2-O 3.46Å; V116-R138 PolarHBondContact N-O 3.47Å; V116-R138 PolarHBondContact O-N 3.03Å; V118-R138 HydrophobicContact CG2-CG 3.84Å; E136-R138 IonicContact OE2-CZ 3.78Å; E136-R138 IonicContact OE2-NE 3.61Å; E136-R138 IonicContact OE2-NH2 3.02Å; E136-R138 PolarHBondContact OE2-NH2 2.96Å; R138-V140 HydrophobicContact CB-CG1 4.29Å |
| 139 | N | 96.1 | Very high | 91.8 | Very high | 98 Ų | 98 | 73.5 Ų | 73.5 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 117.5 | 168.4 | -84.9 | -32.2 | 0 | 0 | 0 | 108.1 | W113 Y114 Q115 | W113-N139 HydrophobicContact CE3-CB 4.15Å; W113-N139 HydrophobicContact CZ3-CB 4.5Å; Y114-N139 WeakPolarHBondContact O-CA 3.48Å; Q115-N139 WeakPolarHBondContact CG-OD1 3.24Å |
| 140 | V | 95.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.1 | 179.7 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | E88 Y114 V116 R138 V142 | E88-V140 HydrophobicContact CG-CG1 4.5Å; Y114-V140 PolarHBondContact N-O 2.93Å; Y114-V140 PolarHBondContact O-N 3.48Å; V116-V140 HydrophobicContact CB-CG2 4.33Å; V116-V140 HydrophobicContact CG1-CG2 3.61Å; V116-V140 HydrophobicContact CG2-CG1 3.98Å; V116-V140 HydrophobicContact CG2-CG2 3.76Å; R138-V140 HydrophobicContact CB-CG1 4.29Å; V140-V142 HydrophobicContact CG2-CG1 4.16Å |
| 141 | P | 97.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 77.1 Ų | 77.1 | 5% | 0.045 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 123.6 | 169.9 | 30.4 | -30.4 | 0 | 0 | 0 | 109.3 | E88 A89 P111 I112 W113 | E88-P141 HydrophobicContact CB-CG 3.95Å; A89-P141 HydrophobicContact CB-CB 4.3Å; A89-P141 WeakPolarHBondContact CB-O 3.23Å; A89-P141 PolarHBondContact N-O 3.46Å; A89-P141 WeakPolarHBondContact O-CB 3.46Å; A89-P141 WeakPolarHBondContact O-CG 3.41Å; P111-P141 HydrophobicContact CB-CB 3.9Å; I112-P141 CarbonylContact O-C 3.53Å; I112-P141 WeakPolarHBondContact O-CA 3.39Å; W113-P141 HydrophobicContact CH2-CG 4.47Å; W113-P141 HydrophobicContact CZ3-CG 4.38Å |
| 142 | V | 96.3 | Very high | 92.1 | Very high | 60 Ų | 60 | 79.2 Ų | 79.2 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -17.1 | -176.7 | -64.8 | 0 | 0 | 0 | 0 | 113.4 | Y73 I112 V140 | Y73-V142 PolarHBondContact OH-O 2.95Å; I112-V142 HydrophobicContact CB-CG2 4.31Å; I112-V142 HydrophobicContact CG2-CG2 4.25Å; I112-V142 PolarHBondContact O-N 2.81Å; V140-V142 HydrophobicContact CG2-CG1 4.16Å |
| 143 | G | 97.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 81.8 Ų | 81.8 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | -172.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P111 I112 | P111-G143 CarbonylContact C-O 3.4Å; P111-G143 WeakPolarHBondContact CA-O 3.23Å; I112-G143 PolarHBondContact N-O 2.83Å |
| 144 | C | 98.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 87.6 Ų | 87.6 | 3% | 0.034 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 145.9 | 174.9 | -62.6 | 0 | 0 | 0 | 0 | 111 | S69 W71 C91 R110 | S69-C144 WeakPolarHBondContact O-CB 3.35Å; S69-C144 PolarHBondContact OG-O 3.4Å; S69-C144 VanDerWaalsContact OG-O 3.09Å; W71-C144 HydrophobicContact CB-CB 4.2Å; W71-C144 HydrophobicContact CD2-CB 4.46Å; W71-C144 HydrophobicContact CE3-CB 3.93Å; W71-C144 VanDerWaalsContact CE3-N 3.33Å; W71-C144 WeakPolarHBondContact CZ3-O 3.32Å; C91-C144 WeakPolarHBondContact CA-SG 3.2Å; C91-C144 HydrophobicContact CB-CB 3.97Å; C91-C144 WeakPolarHBondContact CB-SG 3.38Å; C91-C144 PolarHBondContact N-SG 2.89Å; C91-C144 VanDerWaalsContact N-SG 3.35Å; C91-C144 WeakPolarHBondContact SG-CB 3.35Å; C91-C144 CovalentContact SG-SG 2.04Å; C91-C144 PolarHBondContact SG-SG 2.97Å; R110-C144 CarbonylContact O-C 3.57Å; R110-C144 VanDerWaalsContact O-CA 3.32Å; R110-C144 WeakPolarHBondContact O-CA 3.3Å |
| 145 | T | 98.1 | Very high | 88.5 | Confident | 58 Ų | 58 | 94.5 Ų | 94.5 | 36% | 0.356 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 159.7 | 173.9 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | S69 S109 R110 I112 V147 | S69-T145 WeakPolarHBondContact OG-CA 3.22Å; S69-T145 PolarHBondContact OG-N 3.41Å; S109-T145 WeakPolarHBondContact CA-O 3.43Å; R110-T145 PolarHBondContact N-O 3.31Å; R110-T145 PolarHBondContact O-N 3.25Å; I112-T145 HydrophobicContact CD1-CG2 4.36Å; I112-T145 HydrophobicContact CG1-CG2 3.89Å; T145-V147 HydrophobicContact CG2-CG1 4.05Å |
| 146 | C | 97.8 | Very high | 88.3 | Confident | 29 Ų | 29 | 93.8 Ų | 93.8 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.8 | 173.4 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | I68 S69 C96 Q108 | I68-C146 HydrophobicContact CD1-CB 3.73Å; I68-C146 HydrophobicContact CG1-CB 4.03Å; S69-C146 PolarHBondContact OG-N 3.42Å; C96-C146 HydrophobicContact CB-CB 3.94Å; C96-C146 WeakPolarHBondContact CB-SG 3.48Å; C96-C146 WeakPolarHBondContact SG-CA 3.27Å; C96-C146 WeakPolarHBondContact SG-CB 3.39Å; C96-C146 CovalentContact SG-SG 2.02Å; C96-C146 PolarHBondContact SG-SG 2.95Å; Q108-C146 WeakPolarHBondContact O-CA 3.32Å |
| 147 | V | 97.1 | Very high | 88 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 158.2 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L107 Q108 R110 T145 | L107-V147 CarbonylContact C-O 3.54Å; L107-V147 WeakPolarHBondContact CA-O 3.22Å; Q108-V147 HydrophobicContact CB-CG2 4.02Å; Q108-V147 PolarHBondContact N-O 2.98Å; Q108-V147 PolarHBondContact O-N 3.49Å; R110-V147 HydrophobicContact CB-CG2 4.42Å; R110-V147 HydrophobicContact CG-CG2 3.58Å; T145-V147 HydrophobicContact CG2-CG1 4.05Å |
| 148 | R | 94.9 | Very high | 87.6 | Confident | 212 Ų | 212 | 96.9 Ų | 96.9 | 80% | 0.8 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 155 | 168.8 | -67.5 | 178.8 | 178.8 | 149.1 | -0.2 | 110.2 | L107 | L107-R148 HydrophobicContact CD2-CG 3.8Å |
| 149 | H | 87.1 | Confident | 87.2 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 39% | 0.389 | 49% | 0.493 | S | S | . | . | trans | -58.7 | 144.2 | 169.5 | -73.3 | 77.6 | 0 | 0 | 0 | 110.7 | Q105 N106 Q108 V151 | Q105-H149 PolarHBondContact O-CE1 3.14Å; Q105-H149 VanDerWaalsContact O-CE1 3.28Å; N106-H149 PolarHBondContact O-CE1 2.98Å; N106-H149 PolarHBondContact O-ND1 2.76Å; Q108-H149 PolarHBondContact NE2-CD2 3.44Å; Q108-H149 PolarHBondContact NE2-NE2 3.06Å; H149-V151 PolarHBondContact O-N 3.46Å | ||
| 150 | L | 81.9 | Confident | 86.6 | Confident | 161 Ų | 161 | 97.1 Ų | 97.1 | 84% | 0.843 | 49% | 0.491 | S | S | * | . | trans | -64.9 | 109.2 | 172.3 | -70.9 | 171.2 | 0 | 0 | 0 | 108.8 | H152 | L150-H152 PolarHBondContact O-N 3.41Š| ||
| 151 | V | 75.4 | Confident | 86 | Confident | 126 Ų | 126 | 103.1 Ų | 103.1 | 76% | 0.764 | 52% | 0.521 | S | S | * | . | trans | -80 | 115.8 | 171.6 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | H149 V153 | H149-V151 PolarHBondContact O-N 3.46Å; V151-V153 PolarHBondContact O-N 3.41Å | ||
| 152 | H | 71.3 | Confident | 85.2 | Confident | 164 Ų | 164 | 109.9 Ų | 109.9 | 76% | 0.759 | 56% | 0.555 | S | S | * | * | trans | -78.3 | 108.9 | 165 | -70 | 76.9 | 0 | 0 | 0 | 106.8 | L150 Q154 | L150-H152 PolarHBondContact O-N 3.41Å; H152-Q154 PolarHBondContact O-N 2.91Å | ||
| 153 | V | 73.4 | Confident | 84.3 | Confident | 131 Ų | 131 | 113.8 Ų | 113.8 | 79% | 0.794 | 57% | 0.57 | S | S | * | * | trans | -71.5 | 113.8 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 106 | V151 E155 | V151-V153 PolarHBondContact O-N 3.41Å; V153-E155 PolarHBondContact O-N 3.25Å | ||
| 154 | Q | 67.8 | Low | 83.3 | Confident | 189 Ų | 189 | 122.9 Ų | 122.9 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | trans | -76.2 | 117.8 | 167.8 | -74.2 | 179 | -17 | 0 | 0 | 107 | H152 | H152-Q154 PolarHBondContact O-N 2.91Š| ||
| 155 | E | 56.1 | Low | 81.9 | Confident | 261 Ų | 261 | 133.6 Ų | 133.6 | 100% | 1.22 | 67% | 0.667 | S | S | * | * | trans | -90.8 | 0 | 170.2 | -152.4 | 174.1 | -170.3 | 0 | 0 | 109.8 | V153 | V153-E155 PolarHBondContact O-N 3.25Š|
Retrieved 155 of 155 residues in 24.9 ms
(Link to these results)