| 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 | 53.2 | Low | 58 | Low | 204 Ų | 204 | 116.6 Ų | 116.6 | 100% | 1.005 | 61% | 0.609 | S | S | * | * | 0 | 76.5 | 0 | -67 | 70.9 | 83.6 | 0 | 0 | 109.3 | |||||
| 2 | N | 55.8 | Low | 58.2 | Low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 61% | 0.609 | S | S | * | * | trans | -105.2 | -23.9 | -155.2 | -58.2 | 25.2 | 0 | 0 | 0 | 114.1 | S4 I5 S6 | N2-S4 PolarHBondContact O-N 2.77Å; N2-I5 PolarHBondContact O-N 2.87Å; N2-S6 PolarHBondContact O-N 2.87Å | ||
| 3 | G | 54.9 | Low | 59 | Low | 49 Ų | 49 | 112.8 Ų | 112.8 | 51% | 0.505 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.8 | -47.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | I5 S6 Q7 | G3-I5 VanDerWaalsContact C-N 3.26Å; G3-I5 PolarHBondContact O-N 2.64Å; G3-S6 PolarHBondContact O-N 3.21Å; G3-Q7 PolarHBondContact O-N 3.44Å |
| 4 | S | 57.9 | Low | 59.8 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 49% | 0.49 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.9 | -23.6 | -178.3 | -47.6 | 0 | 0 | 0 | 0 | 114 | N2 R8 | N2-S4 PolarHBondContact O-N 2.77Å; S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 WeakPolarHBondContact O-CD 3.37Å; S4-R8 WeakPolarHBondContact O-CG 3.44Å; S4-R8 PolarHBondContact O-N 3.02Å |
| 5 | I | 57.8 | Low | 60.9 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.2 | -45.7 | 174.6 | -59.1 | 175.5 | 0 | 0 | 0 | 109.4 | N2 G3 Q7 R8 N9 | N2-I5 PolarHBondContact O-N 2.87Å; G3-I5 VanDerWaalsContact C-N 3.26Å; G3-I5 PolarHBondContact O-N 2.64Å; I5-Q7 PolarHBondContact O-N 3.49Å; I5-R8 PolarHBondContact O-N 3.19Å; I5-N9 PolarHBondContact O-N 2.79Å |
| 6 | S | 59.1 | Low | 62.2 | Low | 70 Ų | 70 | 106.1 Ų | 106.1 | 49% | 0.49 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.5 | -48.8 | 175.5 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | N2 G3 R8 N9 M10 | N2-S6 PolarHBondContact O-N 2.87Å; G3-S6 PolarHBondContact O-N 3.21Å; S6-R8 PolarHBondContact O-N 3.36Å; S6-N9 PolarHBondContact O-N 3.29Å; S6-M10 WeakPolarHBondContact O-CG 3.47Å; S6-M10 PolarHBondContact O-N 2.62Å |
| 7 | Q | 58.7 | Low | 63.3 | Low | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -58.6 | -45.6 | 176.3 | -75.5 | -179.5 | -30.8 | 0 | 0 | 112.4 | G3 I5 N9 M10 F11 | G3-Q7 PolarHBondContact O-N 3.44Å; I5-Q7 PolarHBondContact O-N 3.49Å; Q7-N9 VanDerWaalsContact C-N 3.33Å; Q7-N9 PolarHBondContact O-N 3.21Å; Q7-M10 PolarHBondContact O-N 3.28Å; Q7-F11 HydrophobicContact CB-CE2 4.3Å; Q7-F11 WeakPolarHBondContact O-CD2 3.31Å; Q7-F11 PolarHBondContact O-N 2.97Å |
| 8 | R | 60 | Low | 64.1 | Low | 168 Ų | 168 | 103.6 Ų | 103.6 | 63% | 0.634 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.4 | -44.5 | 176.1 | -77.3 | 169.4 | -177.4 | 176.4 | 0.2 | 111.6 | S4 I5 S6 M10 F11 L12 | S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 WeakPolarHBondContact O-CD 3.37Å; S4-R8 WeakPolarHBondContact O-CG 3.44Å; S4-R8 PolarHBondContact O-N 3.02Å; I5-R8 PolarHBondContact O-N 3.19Å; S6-R8 PolarHBondContact O-N 3.36Å; R8-M10 PolarHBondContact O-N 3.16Å; R8-F11 PolarHBondContact O-N 3.48Å; R8-L12 WeakPolarHBondContact O-CD1 3.48Å; R8-L12 PolarHBondContact O-N 3.44Å |
| 9 | N | 60.2 | Low | 65 | Low | 103 Ų | 103 | 99.6 Ų | 99.6 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -37 | 177.9 | -71.6 | 1.9 | 0 | 0 | 0 | 112.7 | I5 S6 Q7 L12 S13 | I5-N9 PolarHBondContact O-N 2.79Å; S6-N9 PolarHBondContact O-N 3.29Å; Q7-N9 VanDerWaalsContact C-N 3.33Å; Q7-N9 PolarHBondContact O-N 3.21Å; N9-L12 PolarHBondContact O-N 3Å; N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.98Å |
| 10 | M | 61 | Low | 65.8 | Low | 133 Ų | 133 | 99.2 Ų | 99.2 | 66% | 0.655 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 172.9 | -67.3 | -175.7 | 78.3 | 0 | 0 | 111.7 | S6 Q7 R8 S13 S14 | S6-M10 WeakPolarHBondContact O-CG 3.47Å; S6-M10 PolarHBondContact O-N 2.62Å; Q7-M10 PolarHBondContact O-N 3.28Å; R8-M10 PolarHBondContact O-N 3.16Å; M10-S13 PolarHBondContact O-N 3.01Å; M10-S14 PolarHBondContact O-N 3.35Å |
| 11 | F | 59.7 | Low | 66.4 | Low | 133 Ų | 133 | 99.3 Ų | 99.3 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 175.8 | -69.3 | -58.7 | 0 | 0 | 0 | 112.4 | Q7 R8 S13 S14 I15 | Q7-F11 HydrophobicContact CB-CE2 4.3Å; Q7-F11 WeakPolarHBondContact O-CD2 3.31Å; Q7-F11 PolarHBondContact O-N 2.97Å; R8-F11 PolarHBondContact O-N 3.48Å; F11-S13 PolarHBondContact O-N 3.45Å; F11-S14 WeakPolarHBondContact CA-OG 3.49Å; F11-S14 PolarHBondContact O-N 2.96Å; F11-S14 VanDerWaalsContact O-N 3.11Å; F11-S14 PolarHBondContact O-OG 3.07Å; F11-I15 WeakPolarHBondContact O-CG1 3.44Å; F11-I15 PolarHBondContact O-N 2.91Å; F11-I15 VanDerWaalsContact O-N 3.07Å |
| 12 | L | 60.6 | Low | 67.5 | Low | 117 Ų | 117 | 95.4 Ų | 95.4 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.2 | -31.6 | 175.2 | -91.8 | 85.1 | 0 | 0 | 0 | 112.8 | R8 N9 P16 | R8-L12 WeakPolarHBondContact O-CD1 3.48Å; R8-L12 PolarHBondContact O-N 3.44Å; N9-L12 PolarHBondContact O-N 3Å; L12-P16 WeakPolarHBondContact O-CD 3.25Å |
| 13 | S | 67.6 | Low | 68.6 | Low | 67 Ų | 67 | 94.4 Ų | 94.4 | 47% | 0.469 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.5 | -36.8 | 172.8 | -171.9 | 0 | 0 | 0 | 0 | 112.5 | N9 M10 F11 I15 P16 L17 | N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.98Å; M10-S13 PolarHBondContact O-N 3.01Å; F11-S13 PolarHBondContact O-N 3.45Å; S13-I15 VanDerWaalsContact C-N 3.34Å; S13-I15 PolarHBondContact O-N 3.19Å; S13-P16 VanDerWaalsContact O-CD 3.29Å; S13-P16 WeakPolarHBondContact O-CD 3.38Å; S13-P16 WeakPolarHBondContact O-CG 3.45Å; S13-L17 WeakPolarHBondContact O-CG 3.32Å |
| 14 | S | 70.3 | Confident | 69.4 | Low | 43 Ų | 43 | 99.9 Ų | 99.9 | 30% | 0.301 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.9 | -29.5 | 177.6 | 70 | 0 | 0 | 0 | 0 | 113.8 | M10 F11 L17 C18 | M10-S14 PolarHBondContact O-N 3.35Å; F11-S14 WeakPolarHBondContact CA-OG 3.49Å; F11-S14 PolarHBondContact O-N 2.96Å; F11-S14 VanDerWaalsContact O-N 3.11Å; F11-S14 PolarHBondContact O-OG 3.07Å; S14-L17 PolarHBondContact O-N 3.02Å; S14-C18 VanDerWaalsContact O-CB 3.3Å; S14-C18 WeakPolarHBondContact O-CB 3.47Å; S14-C18 PolarHBondContact O-N 3.49Å; S14-C18 PolarHBondContact O-SG 3.39Å |
| 15 | I | 76.9 | Confident | 69.9 | Low | 116 Ų | 116 | 102.5 Ų | 102.5 | 60% | 0.595 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.8 | -54.7 | -178.6 | -72.4 | 162.3 | 0 | 0 | 0 | 112.6 | F11 S13 L17 C18 G19 | F11-I15 WeakPolarHBondContact O-CG1 3.44Å; F11-I15 PolarHBondContact O-N 2.91Å; F11-I15 VanDerWaalsContact O-N 3.07Å; S13-I15 VanDerWaalsContact C-N 3.34Å; S13-I15 PolarHBondContact O-N 3.19Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.28Å; I15-C18 PolarHBondContact O-N 3.25Å; I15-G19 PolarHBondContact O-N 2.94Å |
| 16 | P | 81.4 | Confident | 70.2 | Confident | 72 Ų | 72 | 103.5 Ų | 103.5 | 47% | 0.468 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -32.6 | 176.3 | 26.4 | -34.5 | 0 | 0 | 0 | 112.6 | L12 S13 G19 L20 | L12-P16 WeakPolarHBondContact O-CD 3.25Å; S13-P16 VanDerWaalsContact O-CD 3.29Å; S13-P16 WeakPolarHBondContact O-CD 3.38Å; S13-P16 WeakPolarHBondContact O-CG 3.45Å; P16-G19 PolarHBondContact O-N 3.38Å; P16-L20 WeakPolarHBondContact O-CB 3.47Å; P16-L20 VanDerWaalsContact O-CG 3.32Å; P16-L20 WeakPolarHBondContact O-CG 3.3Å; P16-L20 PolarHBondContact O-N 3.41Å |
| 17 | L | 80.3 | Confident | 70.3 | Confident | 100 Ų | 100 | 107.5 Ų | 107.5 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -43.7 | 175.2 | -72.6 | 170.3 | 0 | 0 | 0 | 112.1 | S13 S14 I15 L20 L21 | S13-L17 WeakPolarHBondContact O-CG 3.32Å; S14-L17 PolarHBondContact O-N 3.02Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.28Å; L17-L20 PolarHBondContact O-N 3.03Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.31Å |
| 18 | C | 79.1 | Confident | 70.6 | Confident | 67 Ų | 67 | 106.9 Ų | 106.9 | 45% | 0.453 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.4 | -37.3 | 172.9 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | S14 I15 L21 L22 | S14-C18 VanDerWaalsContact O-CB 3.3Å; S14-C18 WeakPolarHBondContact O-CB 3.47Å; S14-C18 PolarHBondContact O-N 3.49Å; S14-C18 PolarHBondContact O-SG 3.39Å; I15-C18 PolarHBondContact O-N 3.25Å; C18-L21 PolarHBondContact O-N 3.09Å; C18-L22 WeakPolarHBondContact O-CB 3.3Å; C18-L22 VanDerWaalsContact O-CG 3.28Å; C18-L22 WeakPolarHBondContact O-CG 3.35Å; C18-L22 PolarHBondContact O-N 3Å |
| 19 | G | 81.3 | Confident | 70.5 | Confident | 28 Ų | 28 | 103.6 Ų | 103.6 | 29% | 0.289 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.7 | -47.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I15 P16 L22 I23 | I15-G19 PolarHBondContact O-N 2.94Å; P16-G19 PolarHBondContact O-N 3.38Å; G19-L22 PolarHBondContact O-N 2.66Å; G19-I23 WeakPolarHBondContact O-CG1 3.36Å; G19-I23 PolarHBondContact O-N 2.91Å |
| 20 | L | 79.9 | Confident | 70.3 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 48% | 0.476 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.6 | -43.5 | 174.4 | -72.3 | 169 | 0 | 0 | 0 | 111.7 | P16 L17 L22 I23 F24 | P16-L20 WeakPolarHBondContact O-CB 3.47Å; P16-L20 VanDerWaalsContact O-CG 3.32Å; P16-L20 WeakPolarHBondContact O-CG 3.3Å; P16-L20 PolarHBondContact O-N 3.41Å; L17-L20 PolarHBondContact O-N 3.03Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.39Å; L20-I23 CarbonylContact O-C 3.6Å; L20-I23 PolarHBondContact O-N 3.11Å; L20-I23 VanDerWaalsContact O-N 3.09Å; L20-F24 WeakPolarHBondContact O-CD2 3.27Å; L20-F24 PolarHBondContact O-N 2.9Å |
| 21 | L | 78.7 | Confident | 69.8 | Low | 102 Ų | 102 | 101.7 Ų | 101.7 | 53% | 0.534 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59 | -41.2 | 174.2 | -81.8 | 165.2 | 0 | 0 | 0 | 111.8 | L17 C18 I23 F24 N25 | L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.31Å; C18-L21 PolarHBondContact O-N 3.09Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-F24 PolarHBondContact O-N 3.45Å; L21-N25 VanDerWaalsContact O-CB 3.3Å; L21-N25 WeakPolarHBondContact O-CB 3.38Å; L21-N25 PolarHBondContact O-N 2.88Å; L21-N25 PolarHBondContact O-ND2 3.37Å |
| 22 | L | 77.3 | Confident | 69.5 | Low | 122 Ų | 122 | 104.4 Ų | 104.4 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.6 | -37 | 174.1 | -73.5 | 166.6 | 0 | 0 | 0 | 112 | C18 G19 L20 L26 | C18-L22 WeakPolarHBondContact O-CB 3.3Å; C18-L22 VanDerWaalsContact O-CG 3.28Å; C18-L22 WeakPolarHBondContact O-CG 3.35Å; C18-L22 PolarHBondContact O-N 3Å; G19-L22 PolarHBondContact O-N 2.66Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.39Å; L22-L26 VanDerWaalsContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 WeakPolarHBondContact O-CD1 3.38Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 2.99Å |
| 23 | I | 78.7 | Confident | 69.3 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 57% | 0.574 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.7 | -34 | 175.6 | -66.9 | 162.3 | 0 | 0 | 0 | 112.1 | G19 L20 L21 | G19-I23 WeakPolarHBondContact O-CG1 3.36Å; G19-I23 PolarHBondContact O-N 2.91Å; L20-I23 CarbonylContact O-C 3.6Å; L20-I23 PolarHBondContact O-N 3.11Å; L20-I23 VanDerWaalsContact O-N 3.09Å; L21-I23 VanDerWaalsContact C-N 3.34Å |
| 24 | F | 71.3 | Confident | 68.7 | Low | 164 Ų | 164 | 105.6 Ų | 105.6 | 72% | 0.719 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -82.6 | -26 | 176 | -76.6 | -66.4 | 0 | 0 | 0 | 114.1 | L20 L21 | L20-F24 WeakPolarHBondContact O-CD2 3.27Å; L20-F24 PolarHBondContact O-N 2.9Å; L21-F24 PolarHBondContact O-N 3.45Å |
| 25 | N | 68.2 | Low | 68 | Low | 125 Ų | 125 | 106.7 Ų | 106.7 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -92.2 | -10.4 | 174.4 | -71.8 | -98.4 | 0 | 0 | 0 | 112.5 | L21 E27 | L21-N25 VanDerWaalsContact O-CB 3.3Å; L21-N25 WeakPolarHBondContact O-CB 3.38Å; L21-N25 PolarHBondContact O-N 2.88Å; L21-N25 PolarHBondContact O-ND2 3.37Å; N25-E27 PolarHBondContact O-N 3.41Å |
| 26 | L | 64.8 | Low | 67.1 | Low | 122 Ų | 122 | 107.4 Ų | 107.4 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -66.1 | 81.8 | 149.6 | -81.2 | 163.5 | 0 | 0 | 0 | 107.6 | L22 | L22-L26 VanDerWaalsContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 WeakPolarHBondContact O-CD1 3.38Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 2.99Å |
| 27 | E | 61.1 | Low | 66.2 | Low | 155 Ų | 155 | 107.3 Ų | 107.3 | 72% | 0.724 | 62% | 0.615 | S | S | * | * | trans | -41.5 | 131.4 | 162.7 | -178.6 | 178 | -168.2 | 0 | 0 | 108.7 | N25 S29 | N25-E27 PolarHBondContact O-N 3.41Å; E27-S29 PolarHBondContact O-N 2.69Å; E27-S29 PolarHBondContact O-OG 2.88Å | ||
| 28 | P | 64.1 | Low | 65.5 | Low | 105 Ų | 105 | 108.3 Ų | 108.3 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | trans | -70.2 | 68.6 | -174.7 | 28.9 | -35.8 | 0 | 0 | 0 | 111.3 | S30 T31 | P28-S30 PolarHBondContact O-N 3.18Å; P28-S30 VanDerWaalsContact O-N 3.1Å; P28-T31 PolarHBondContact O-N 3.44Å; P28-T31 VanDerWaalsContact O-N 3.14Å | ||
| 29 | S | 57.4 | Low | 65.5 | Low | 99 Ų | 99 | 108.6 Ų | 108.6 | 69% | 0.692 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 105.3 | -175.2 | 29.6 | 0 | 0 | 0 | 0 | 107.6 | E27 | E27-S29 PolarHBondContact O-N 2.69Å; E27-S29 PolarHBondContact O-OG 2.88Å |
| 30 | S | 57.4 | Low | 65.5 | Low | 85 Ų | 85 | 113.5 Ų | 113.5 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66 | 59.8 | -168.8 | 171.6 | 0 | 0 | 0 | 0 | 114.1 | P28 Y32 | P28-S30 PolarHBondContact O-N 3.18Å; P28-S30 VanDerWaalsContact O-N 3.1Å; S30-Y32 VanDerWaalsContact C-N 3.34Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.41Å; S30-Y32 WeakPolarHBondContact OG-CE2 3.48Å |
| 31 | T | 51 | Low | 65.7 | Low | 110 Ų | 110 | 113.6 Ų | 113.6 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | -73.1 | 101.4 | 116.4 | -55.1 | 0 | 0 | 0 | 0 | 106.8 | P28 P33 | P28-T31 PolarHBondContact O-N 3.44Å; P28-T31 VanDerWaalsContact O-N 3.14Å; T31-P33 VanDerWaalsContact O-CD 3.23Å; T31-P33 WeakPolarHBondContact O-CD 3.23Å | |||
| 32 | Y | 51.5 | Low | 66.1 | Low | 190 Ų | 190 | 111.6 Ų | 111.6 | 75% | 0.745 | 63% | 0.629 | S | S | * | * | trans | -62.4 | 120.3 | 164.8 | -82.9 | -86.1 | 0 | 0 | 0 | 107.1 | S30 V34 | S30-Y32 VanDerWaalsContact C-N 3.34Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.41Å; S30-Y32 WeakPolarHBondContact OG-CE2 3.48Å; Y32-V34 PolarHBondContact O-N 3.05Å; Y32-V34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | P | 57.6 | Low | 66.5 | Low | 80 Ų | 80 | 109.3 Ų | 109.3 | 52% | 0.519 | 62% | 0.616 | S | S | . | * | trans | -60.9 | 117.7 | 161.2 | 27 | -32 | 0 | 0 | 0 | 106.6 | T31 S35 T36 | T31-P33 VanDerWaalsContact O-CD 3.23Å; T31-P33 WeakPolarHBondContact O-CD 3.23Å; P33-S35 PolarHBondContact O-N 3.08Å; P33-T36 HydrophobicContact CB-CG2 4.15Å; P33-T36 HydrophobicContact CG-CG2 3.69Å | ||
| 34 | V | 55.5 | Low | 67.1 | Low | 129 Ų | 129 | 107.5 Ų | 107.5 | 78% | 0.782 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -58.1 | -22.4 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 111 | Y32 F38 | Y32-V34 PolarHBondContact O-N 3.05Å; Y32-V34 VanDerWaalsContact O-N 3.1Å; V34-F38 HydrophobicContact CG1-CE2 4.43Å; V34-F38 WeakPolarHBondContact O-CE2 3.31Å |
| 35 | S | 55.3 | Low | 68 | Low | 66 Ų | 66 | 104.3 Ų | 104.3 | 46% | 0.462 | 60% | 0.597 | S | S | . | * | trans | -128 | 90.6 | -171.2 | -50 | 0 | 0 | 0 | 0 | 112.4 | P33 F38 | P33-S35 PolarHBondContact O-N 3.08Å; S35-F38 WeakPolarHBondContact OG-CD2 3.29Å | ||
| 36 | T | 57.2 | Low | 69.1 | Low | 131 Ų | 131 | 102.4 Ų | 102.4 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -121.4 | -1.2 | 158.8 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | P33 | P33-T36 HydrophobicContact CB-CG2 4.15Å; P33-T36 HydrophobicContact CG-CG2 3.69Å |
| 37 | G | 62.9 | Low | 70.3 | Confident | 70 Ų | 70 | 101.7 Ų | 101.7 | 72% | 0.722 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -132 | 7.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 38 | F | 64.9 | Low | 71.9 | Confident | 122 Ų | 122 | 98.4 Ų | 98.4 | 54% | 0.535 | 57% | 0.568 | S | S | . | * | trans | -84.4 | 131.2 | 171.8 | -69.7 | -62.6 | 0 | 0 | 0 | 110.3 | V34 S35 D42 | V34-F38 HydrophobicContact CG1-CE2 4.43Å; V34-F38 WeakPolarHBondContact O-CE2 3.31Å; S35-F38 WeakPolarHBondContact OG-CD2 3.29Å; F38-D42 HydrophobicContact CB-CB 4.14Å; F38-D42 HydrophobicContact CD1-CB 3.72Å; F38-D42 HydrophobicContact CG-CB 4.36Å | ||
| 39 | T | 79.3 | Confident | 73.3 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | trans | -79.7 | 164.7 | 170.2 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | T41 D42 M43 | T39-T41 PolarHBondContact O-N 3.06Å; T39-T41 PolarHBondContact OG1-OG1 2.97Å; T39-D42 WeakPolarHBondContact CB-OD2 3.36Å; T39-D42 PolarHBondContact N-OD2 3.47Å; T39-D42 WeakPolarHBondContact O-CB 3.42Å; T39-D42 PolarHBondContact O-N 2.8Å; T39-D42 PolarHBondContact OG1-N 3.28Å; T39-D42 PolarHBondContact OG1-OD2 3.35Å; T39-M43 PolarHBondContact O-N 2.77Å; T39-M43 VanDerWaalsContact O-N 3.16Å | ||
| 40 | D | 81.4 | Confident | 75 | Confident | 130 Ų | 130 | 98.2 Ų | 98.2 | 70% | 0.695 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -56.6 | -38.4 | 175 | -158.4 | 37.1 | 0 | 0 | 0 | 111.3 | D42 M43 D44 | D40-D42 PolarHBondContact O-N 3.08Å; D40-M43 WeakPolarHBondContact O-CB 3.09Å; D40-M43 PolarHBondContact O-N 2.85Å; D40-D44 PolarHBondContact O-N 2.99Å |
| 41 | T | 84.8 | Confident | 76.8 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.4 | -34.8 | 173.1 | 35 | 0 | 0 | 0 | 0 | 114.2 | T39 M43 D44 I45 | T39-T41 PolarHBondContact O-N 3.06Å; T39-T41 PolarHBondContact OG1-OG1 2.97Å; T41-M43 VanDerWaalsContact C-N 3.32Å; T41-D44 PolarHBondContact O-N 3.1Å; T41-I45 WeakPolarHBondContact O-CD1 3Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.09Å; T41-I45 PolarHBondContact O-N 2.73Å |
| 42 | D | 85.7 | Confident | 78.7 | Confident | 61 Ų | 61 | 100 Ų | 100 | 33% | 0.326 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.9 | -34.8 | 175.1 | -58.2 | -54.3 | 0 | 0 | 0 | 111.2 | F38 T39 D40 I45 L46 | F38-D42 HydrophobicContact CB-CB 4.14Å; F38-D42 HydrophobicContact CD1-CB 3.72Å; F38-D42 HydrophobicContact CG-CB 4.36Å; T39-D42 WeakPolarHBondContact CB-OD2 3.36Å; T39-D42 PolarHBondContact N-OD2 3.47Å; T39-D42 WeakPolarHBondContact O-CB 3.42Å; T39-D42 PolarHBondContact O-N 2.8Å; T39-D42 PolarHBondContact OG1-N 3.28Å; T39-D42 PolarHBondContact OG1-OD2 3.35Å; D40-D42 PolarHBondContact O-N 3.08Å; D42-I45 PolarHBondContact O-N 3.1Å; D42-L46 WeakPolarHBondContact O-CB 3.21Å; D42-L46 PolarHBondContact O-N 3.13Å |
| 43 | M | 87.6 | Confident | 80.5 | Confident | 73 Ų | 73 | 96.1 Ų | 96.1 | 36% | 0.36 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 175.3 | -171.8 | 57.9 | 60.8 | 0 | 0 | 111.5 | T39 D40 T41 L46 K47 | T39-M43 PolarHBondContact O-N 2.77Å; T39-M43 VanDerWaalsContact O-N 3.16Å; D40-M43 WeakPolarHBondContact O-CB 3.09Å; D40-M43 PolarHBondContact O-N 2.85Å; T41-M43 VanDerWaalsContact C-N 3.32Å; M43-L46 PolarHBondContact O-N 3.48Å; M43-L46 HydrophobicContact SD-CD2 4.45Å; M43-K47 WeakPolarHBondContact O-CG 3.32Å; M43-K47 PolarHBondContact O-N 3.03Å |
| 44 | D | 90.1 | Very high | 82.1 | Confident | 74 Ų | 74 | 99.4 Ų | 99.4 | 40% | 0.396 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 173.2 | -78.9 | -16.5 | 0 | 0 | 0 | 112.9 | D40 T41 L46 K47 V48 | D40-D44 PolarHBondContact O-N 2.99Å; T41-D44 PolarHBondContact O-N 3.1Å; D44-L46 VanDerWaalsContact C-N 3.28Å; D44-L46 PolarHBondContact O-N 2.82Å; D44-K47 PolarHBondContact O-N 2.84Å; D44-K47 IonicContact OD1-NZ 2.64Å; D44-K47 PolarHBondContact OD1-NZ 2.87Å; D44-V48 WeakPolarHBondContact O-CG2 3.48Å; D44-V48 PolarHBondContact O-N 2.8Å |
| 45 | I | 90.6 | Very high | 83.6 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 171.9 | -69.9 | 163.1 | 0 | 0 | 0 | 110.2 | T41 D42 V48 L49 | T41-I45 WeakPolarHBondContact O-CD1 3Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.09Å; T41-I45 PolarHBondContact O-N 2.73Å; D42-I45 PolarHBondContact O-N 3.1Å; I45-V48 PolarHBondContact O-N 3.39Å; I45-L49 HydrophobicContact CG2-CD1 3.92Å; I45-L49 HydrophobicContact CG2-CG 4.41Å; I45-L49 VanDerWaalsContact O-CG 3.32Å; I45-L49 WeakPolarHBondContact O-CG 3.43Å; I45-L49 PolarHBondContact O-N 3.45Å |
| 46 | L | 90.1 | Very high | 84.9 | Confident | 85 Ų | 85 | 97.1 Ų | 97.1 | 45% | 0.445 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.1 | -177.4 | 60.7 | 0 | 0 | 0 | 112.7 | D42 M43 D44 L49 L50 | D42-L46 WeakPolarHBondContact O-CB 3.21Å; D42-L46 PolarHBondContact O-N 3.13Å; M43-L46 PolarHBondContact O-N 3.48Å; M43-L46 HydrophobicContact SD-CD2 4.45Å; D44-L46 VanDerWaalsContact C-N 3.28Å; D44-L46 PolarHBondContact O-N 2.82Å; L46-L49 PolarHBondContact O-N 3.46Å; L46-L50 HydrophobicContact CD1-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CG 4.34Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 WeakPolarHBondContact O-CG 3.09Å; L46-L50 PolarHBondContact O-N 3.11Å |
| 47 | K | 90.8 | Very high | 85.9 | Confident | 107 Ų | 107 | 95 Ų | 95 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 173.9 | -68.9 | 165.5 | -159.1 | 158.9 | 0 | 111.4 | M43 D44 L49 L50 Q51 | M43-K47 WeakPolarHBondContact O-CG 3.32Å; M43-K47 PolarHBondContact O-N 3.03Å; D44-K47 PolarHBondContact O-N 2.84Å; D44-K47 IonicContact OD1-NZ 2.64Å; D44-K47 PolarHBondContact OD1-NZ 2.87Å; K47-L49 PolarHBondContact O-N 3.42Å; K47-L50 PolarHBondContact O-N 3.38Å; K47-Q51 PolarHBondContact O-N 3.47Å |
| 48 | V | 94.9 | Very high | 86.3 | Confident | 85 Ų | 85 | 95.5 Ų | 95.5 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 179.7 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | D44 I45 K52 | D44-V48 WeakPolarHBondContact O-CG2 3.48Å; D44-V48 PolarHBondContact O-N 2.8Å; I45-V48 PolarHBondContact O-N 3.39Å; V48-K52 WeakPolarHBondContact O-CB 3.36Å; V48-K52 WeakPolarHBondContact O-CG 3.28Å; V48-K52 PolarHBondContact O-N 2.8Å |
| 49 | L | 93.4 | Very high | 86.1 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.3 | -71.4 | 172 | 0 | 0 | 0 | 112.3 | I45 L46 K47 L53 | I45-L49 HydrophobicContact CG2-CD1 3.92Å; I45-L49 HydrophobicContact CG2-CG 4.41Å; I45-L49 VanDerWaalsContact O-CG 3.32Å; I45-L49 WeakPolarHBondContact O-CG 3.43Å; I45-L49 PolarHBondContact O-N 3.45Å; L46-L49 PolarHBondContact O-N 3.46Å; K47-L49 PolarHBondContact O-N 3.42Å; L49-L53 VanDerWaalsContact O-CG 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.1Å; L49-L53 VanDerWaalsContact O-N 3.11Å |
| 50 | L | 93.9 | Very high | 85 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 176.1 | -75 | 169.4 | 0 | 0 | 0 | 112 | L46 K47 K52 L53 E54 | L46-L50 HydrophobicContact CD1-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CG 4.34Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 WeakPolarHBondContact O-CG 3.09Å; L46-L50 PolarHBondContact O-N 3.11Å; K47-L50 PolarHBondContact O-N 3.38Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.83Å; L50-L53 PolarHBondContact O-N 3.09Å; L50-L53 VanDerWaalsContact O-N 3.09Å; L50-E54 PolarHBondContact O-N 2.64Å |
| 51 | Q | 93.5 | Very high | 83.6 | Confident | 108 Ų | 108 | 98 Ų | 98 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 176.4 | -177.5 | -174.5 | -24.4 | 0 | 0 | 111.1 | K47 L53 E54 E55 | K47-Q51 PolarHBondContact O-N 3.47Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 3.4Å; Q51-E54 WeakPolarHBondContact O-CB 3.45Å; Q51-E54 PolarHBondContact O-N 3.14Å; Q51-E55 HydrophobicContact CG-CG 4.46Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.3Å; Q51-E55 PolarHBondContact NE2-OE1 2.92Å; Q51-E55 WeakPolarHBondContact O-CB 3.32Å; Q51-E55 VanDerWaalsContact O-CG 3.31Å; Q51-E55 WeakPolarHBondContact O-CG 3.28Å; Q51-E55 PolarHBondContact O-N 2.92Å |
| 52 | K | 91.6 | Very high | 82.1 | Confident | 125 Ų | 125 | 97 Ų | 97 | 54% | 0.543 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -27.7 | 178.1 | -74.2 | -160 | 71.8 | 178.1 | 0 | 113.8 | V48 L50 S56 | V48-K52 WeakPolarHBondContact O-CB 3.36Å; V48-K52 WeakPolarHBondContact O-CG 3.28Å; V48-K52 PolarHBondContact O-N 2.8Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.83Å; K52-S56 VanDerWaalsContact O-CB 3.32Å; K52-S56 WeakPolarHBondContact O-CB 3.22Å; K52-S56 PolarHBondContact O-N 2.87Å; K52-S56 PolarHBondContact O-OG 3.34Å |
| 53 | L | 90.4 | Very high | 80.6 | Confident | 107 Ų | 107 | 100 Ų | 100 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.6 | -38.7 | 173.5 | -74.2 | 168.4 | 0 | 0 | 0 | 111.6 | L49 L50 Q51 S56 V57 | L49-L53 VanDerWaalsContact O-CG 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.1Å; L49-L53 VanDerWaalsContact O-N 3.11Å; L50-L53 PolarHBondContact O-N 3.09Å; L50-L53 VanDerWaalsContact O-N 3.09Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 3.4Å; L53-S56 PolarHBondContact O-N 3.14Å; L53-V57 WeakPolarHBondContact O-CB 3.37Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.37Å; L53-V57 PolarHBondContact O-N 2.95Å |
| 54 | E | 91.2 | Very high | 78.6 | Confident | 150 Ų | 150 | 103.2 Ų | 103.2 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.1 | -46.4 | 172.2 | -175.7 | 173.1 | -170.7 | 0 | 0 | 111.1 | L50 Q51 V57 S58 | L50-E54 PolarHBondContact O-N 2.64Å; Q51-E54 WeakPolarHBondContact O-CB 3.45Å; Q51-E54 PolarHBondContact O-N 3.14Å; E54-V57 PolarHBondContact O-N 3.24Å; E54-S58 VanDerWaalsContact O-CB 3.3Å; E54-S58 WeakPolarHBondContact O-CB 3.45Å; E54-S58 PolarHBondContact O-N 3.47Å |
| 55 | E | 85.2 | Confident | 76.4 | Confident | 87 Ų | 87 | 107.8 Ų | 107.8 | 41% | 0.407 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.6 | -51.7 | 171.7 | -71.1 | 165.9 | 175.6 | 0 | 0 | 111.1 | Q51 V57 S58 E59 | Q51-E55 HydrophobicContact CG-CG 4.46Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.3Å; Q51-E55 PolarHBondContact NE2-OE1 2.92Å; Q51-E55 WeakPolarHBondContact O-CB 3.32Å; Q51-E55 VanDerWaalsContact O-CG 3.31Å; Q51-E55 WeakPolarHBondContact O-CG 3.28Å; Q51-E55 PolarHBondContact O-N 2.92Å; E55-V57 VanDerWaalsContact C-N 3.35Å; E55-V57 PolarHBondContact O-N 2.92Å; E55-S58 PolarHBondContact O-N 2.83Å; E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.46Å |
| 56 | S | 83.4 | Confident | 74.2 | Confident | 60 Ų | 60 | 106.2 Ų | 106.2 | 42% | 0.42 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62 | -38.2 | -179.2 | -59 | 0 | 0 | 0 | 0 | 113.2 | K52 L53 Q60 | K52-S56 VanDerWaalsContact O-CB 3.32Å; K52-S56 WeakPolarHBondContact O-CB 3.22Å; K52-S56 PolarHBondContact O-N 2.87Å; K52-S56 PolarHBondContact O-OG 3.34Å; L53-S56 PolarHBondContact O-N 3.14Å; S56-Q60 VanDerWaalsContact O-CB 3.23Å; S56-Q60 WeakPolarHBondContact O-CB 3.45Å; S56-Q60 PolarHBondContact O-N 2.56Å |
| 57 | V | 78 | Confident | 72.2 | Confident | 87 Ų | 87 | 107.9 Ų | 107.9 | 53% | 0.527 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.1 | -35.8 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L53 E54 E55 Q60 T61 | L53-V57 WeakPolarHBondContact O-CB 3.37Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.37Å; L53-V57 PolarHBondContact O-N 2.95Å; E54-V57 PolarHBondContact O-N 3.24Å; E55-V57 VanDerWaalsContact C-N 3.35Å; E55-V57 PolarHBondContact O-N 2.92Å; V57-Q60 PolarHBondContact O-N 3.22Å; V57-T61 WeakPolarHBondContact O-CB 3.29Å; V57-T61 PolarHBondContact O-N 3.47Å; V57-T61 PolarHBondContact O-OG1 3.43Å |
| 58 | S | 71.4 | Confident | 69.6 | Low | 79 Ų | 79 | 109 Ų | 109 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.7 | -46 | 173.9 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | E54 E55 Q60 T61 A62 | E54-S58 VanDerWaalsContact O-CB 3.3Å; E54-S58 WeakPolarHBondContact O-CB 3.45Å; E54-S58 PolarHBondContact O-N 3.47Å; E55-S58 PolarHBondContact O-N 2.83Å; S58-Q60 VanDerWaalsContact C-N 3.33Å; S58-Q60 PolarHBondContact O-N 2.93Å; S58-T61 PolarHBondContact O-N 3.43Å; S58-A62 PolarHBondContact O-N 3.18Å |
| 59 | E | 59.9 | Low | 67 | Low | 143 Ų | 143 | 114.2 Ų | 114.2 | 67% | 0.668 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.1 | -41 | 173.2 | -72.6 | -176 | 156.8 | 0 | 0 | 111.8 | E55 A62 V63 | E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.46Å; E59-A62 PolarHBondContact O-N 2.92Å; E59-V63 WeakPolarHBondContact O-CG2 3.04Å; E59-V63 PolarHBondContact O-N 3.09Å |
| 60 | Q | 56.5 | Low | 64.5 | Low | 153 Ų | 153 | 118.3 Ų | 118.3 | 72% | 0.715 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.3 | -32.9 | 176.5 | -173.3 | 142.5 | 77.7 | 0 | 0 | 112.9 | S56 V57 S58 V63 | S56-Q60 VanDerWaalsContact O-CB 3.23Å; S56-Q60 WeakPolarHBondContact O-CB 3.45Å; S56-Q60 PolarHBondContact O-N 2.56Å; V57-Q60 PolarHBondContact O-N 3.22Å; S58-Q60 VanDerWaalsContact C-N 3.33Å; S58-Q60 PolarHBondContact O-N 2.93Å; Q60-V63 PolarHBondContact O-N 2.83Å |
| 61 | T | 53.1 | Low | 61.5 | Low | 81 Ų | 81 | 120.9 Ų | 120.9 | 50% | 0.497 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -68.4 | -42.9 | 174.9 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | V57 S58 V63 D64 E65 | V57-T61 WeakPolarHBondContact O-CB 3.29Å; V57-T61 PolarHBondContact O-N 3.47Å; V57-T61 PolarHBondContact O-OG1 3.43Å; S58-T61 PolarHBondContact O-N 3.43Å; T61-V63 PolarHBondContact O-N 3.3Å; T61-V63 VanDerWaalsContact O-N 3.08Å; T61-D64 PolarHBondContact O-N 2.88Å; T61-E65 PolarHBondContact O-N 2.99Å |
| 62 | A | 53.1 | Low | 58.7 | Low | 73 Ų | 73 | 118 Ų | 118 | 60% | 0.603 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67 | -6.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | S58 E59 | S58-A62 PolarHBondContact O-N 3.18Å; E59-A62 PolarHBondContact O-N 2.92Å |
| 63 | V | 53.8 | Low | 56.1 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -99.1 | -21.9 | 173.4 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | E59 Q60 T61 | E59-V63 WeakPolarHBondContact O-CG2 3.04Å; E59-V63 PolarHBondContact O-N 3.09Å; Q60-V63 PolarHBondContact O-N 2.83Å; T61-V63 PolarHBondContact O-N 3.3Å; T61-V63 VanDerWaalsContact O-N 3.08Å |
| 64 | D | 46.8 | Very low | 53.6 | Low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.5 | -27.4 | 175.6 | -155.1 | 45.1 | 0 | 0 | 0 | 111.8 | T61 G66 | T61-D64 PolarHBondContact O-N 2.88Å; D64-G66 PolarHBondContact O-N 2.87Å |
| 65 | E | 43.3 | Very low | 50.9 | Low | 171 Ų | 171 | 122 Ų | 122 | 80% | 0.799 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 33.5 | 173.3 | -154.2 | 177.8 | 171.1 | 0 | 0 | 113.6 | T61 | T61-E65 PolarHBondContact O-N 2.99Š|
| 66 | G | 44.1 | Very low | 48.4 | Very low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -4.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D64 | D64-G66 PolarHBondContact O-N 2.87Š|
| 67 | V | 47.1 | Very low | 46.4 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -137.1 | 119.6 | -172.8 | -169.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 68 | T | 36.3 | Very low | 44.3 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | 67.4 | 95.2 | 163.4 | 46.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 69 | E | 41.8 | Very low | 42.7 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | -125.5 | 153.2 | 131.4 | -61.6 | -169.1 | 147.7 | 0 | 0 | 107.8 | ||||
| 70 | E | 39.8 | Very low | 41.8 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -98.9 | -163.4 | -20.4 | -48 | 174.9 | 90.8 | 0 | 0 | 108.4 | ||||
| 71 | D | 32.1 | Very low | 40.8 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | cis | -153.8 | -162 | -6.6 | 176.4 | 28.1 | 0 | 0 | 0 | 105.4 | ||||
| 72 | G | 34.6 | Very low | 39.9 | Very low | 49 Ų | 49 | 141.6 Ų | 141.6 | 51% | 0.505 | 76% | 0.759 | S | S | . | * | 124.6 | 14.5 | 114 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 73 | R | 36.8 | Very low | 39.2 | Very low | 240 Ų | 240 | 142.7 Ų | 142.7 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | 51.7 | 103.1 | 156.6 | -175.9 | -178.6 | 171.9 | 165.8 | -1.8 | 117.4 | ||||
| 74 | A | 37.2 | Very low | 38.5 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 79.6 | 108.4 | 145.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 75 | N | 34.5 | Very low | 38 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | 62.5 | 104.2 | 127.8 | -176.9 | 31.5 | 0 | 0 | 0 | 118.9 | |||||
| 76 | R | 33.7 | Very low | 37.7 | Very low | 231 Ų | 231 | 144.8 Ų | 144.8 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | -168.5 | 163.7 | 113.6 | -100 | 154.8 | 74.9 | -177.8 | 4.6 | 113.6 | |||||
| 77 | M | 41.1 | Very low | 37.2 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | -80.3 | 164.9 | -178.1 | -59.9 | 165.1 | -74 | 0 | 0 | 113 | ||||
| 78 | N | 34.3 | Very low | 36.9 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 113.2 | 152.6 | 163.7 | -63.8 | 4.8 | 0 | 0 | 0 | 114.1 | ||||
| 79 | M | 36.7 | Very low | 37.1 | Very low | 145 Ų | 145 | 152.3 Ų | 152.3 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | cis | -176.8 | 136.2 | -25.8 | 177.3 | 155.5 | 153.9 | 0 | 0 | 107.3 | ||||
| 80 | E | 41.5 | Very low | 37.3 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | 60.7 | 124 | 166.4 | -74.7 | 172.4 | 127.2 | 0 | 0 | 121.5 | ||||
| 81 | D | 34.6 | Very low | 37.8 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 60.9 | 113.1 | 128.5 | -157.5 | 32.6 | 0 | 0 | 0 | 121.5 | |||||
| 82 | T | 34.2 | Very low | 39.1 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | -175.8 | 135 | 103.4 | 25.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 83 | S | 38.3 | Very low | 40.7 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 52.3 | 108 | 151.3 | 61.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 84 | S | 39.6 | Very low | 42.2 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | 88 | 131 | 121.3 | -58.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 85 | E | 36 | Very low | 43.8 | Very low | 160 Ų | 160 | 146 Ų | 146 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 68.3 | 129.1 | 158.5 | -69.5 | -163.2 | 90.2 | 0 | 0 | 118.7 | ||||
| 86 | R | 36.7 | Very low | 45.5 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | cis | -162.1 | 112.2 | -5.2 | -167 | 174 | -169 | 135.2 | -6.4 | 110.7 | ||||
| 87 | Q | 35.4 | Very low | 47.3 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | trans | -72.8 | 143.5 | 175.4 | -74.4 | -179.5 | -77.7 | 0 | 0 | 112.1 | Q89 | Q87-Q89 PolarHBondContact O-N 2.85Š| ||
| 88 | P | 39.2 | Very low | 48.9 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 70% | 0.702 | S | S | * | * | trans | -73.2 | 113.7 | 164.8 | 30.2 | -31.5 | 0 | 0 | 0 | 109.5 | T90 | P88-T90 PolarHBondContact O-N 3.47Š| ||
| 89 | Q | 41.4 | Very low | 50.8 | Low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -77.5 | 108.6 | 178.7 | -64.7 | 174.4 | -94.1 | 0 | 0 | 110.2 | Q87 D91 | Q87-Q89 PolarHBondContact O-N 2.85Å; Q89-D91 PolarHBondContact O-N 2.8Å | ||
| 90 | T | 46.3 | Very low | 52.4 | Low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 68% | 0.68 | S | S | * | * | trans | -75.7 | 79.1 | 161.6 | 51.8 | 0 | 0 | 0 | 0 | 108.7 | P88 L92 | P88-T90 PolarHBondContact O-N 3.47Å; T90-L92 VanDerWaalsContact C-N 3.25Å; T90-L92 PolarHBondContact O-N 3.44Å | ||
| 91 | D | 48.9 | Very low | 53.8 | Low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | trans | -74 | 74.3 | -173.8 | -161.3 | 40.6 | 0 | 0 | 0 | 111.7 | Q89 | Q89-D91 PolarHBondContact O-N 2.8Š| ||
| 92 | L | 59.6 | Low | 55.7 | Low | 140 Ų | 140 | 128.7 Ų | 128.7 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | trans | -123.3 | 97.6 | 166.7 | -69.6 | 177.9 | 0 | 0 | 0 | 107 | T90 E94 | T90-L92 VanDerWaalsContact C-N 3.25Å; T90-L92 PolarHBondContact O-N 3.44Å; L92-E94 PolarHBondContact O-N 2.92Å; L92-E94 VanDerWaalsContact O-N 3.13Å | ||
| 93 | D | 68.5 | Low | 57.1 | Low | 80 Ų | 80 | 126.7 Ų | 126.7 | 43% | 0.428 | 65% | 0.651 | S | S | . | * | trans | -35.9 | 114.5 | -175 | -68.4 | -48.8 | 0 | 0 | 0 | 113 | E95 Q96 I97 | D93-E95 PolarHBondContact O-N 3.28Å; D93-E95 VanDerWaalsContact O-N 3.08Å; D93-Q96 HydrophobicContact CB-CB 3.9Å; D93-Q96 HydrophobicContact CB-CG 3.72Å; D93-Q96 PolarHBondContact O-N 3.35Å; D93-Q96 PolarHBondContact OD2-NE2 3.11Å; D93-I97 PolarHBondContact O-N 3.33Å; D93-I97 VanDerWaalsContact O-N 3.1Å | ||
| 94 | E | 69.3 | Low | 58.4 | Low | 135 Ų | 135 | 127.9 Ų | 127.9 | 63% | 0.631 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -53.7 | -31.3 | 168.9 | -84.5 | -148.5 | 169.9 | 0 | 0 | 111.1 | L92 I97 R98 | L92-E94 PolarHBondContact O-N 2.92Å; L92-E94 VanDerWaalsContact O-N 3.13Å; E94-I97 PolarHBondContact O-N 3.44Å; E94-R98 WeakPolarHBondContact O-CB 3.26Å; E94-R98 PolarHBondContact O-N 3.47Å; E94-R98 IonicContact OE2-NH2 2.8Å; E94-R98 PolarHBondContact OE2-NH2 3.35Å |
| 95 | E | 69.3 | Low | 59.7 | Low | 158 Ų | 158 | 126.3 Ų | 126.3 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65 | -41.5 | 177.1 | -55.2 | -160.4 | 157.3 | 0 | 0 | 112 | D93 R98 E99 | D93-E95 PolarHBondContact O-N 3.28Å; D93-E95 VanDerWaalsContact O-N 3.08Å; E95-R98 PolarHBondContact O-N 3.49Å; E95-E99 VanDerWaalsContact O-CB 3.29Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.22Å |
| 96 | Q | 70.2 | Confident | 60.9 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 47% | 0.472 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.8 | -46 | 172.9 | -72.6 | -172.5 | 45.2 | 0 | 0 | 111.3 | D93 R98 E99 F100 | D93-Q96 HydrophobicContact CB-CB 3.9Å; D93-Q96 HydrophobicContact CB-CG 3.72Å; D93-Q96 PolarHBondContact O-N 3.35Å; D93-Q96 PolarHBondContact OD2-NE2 3.11Å; Q96-R98 VanDerWaalsContact C-N 3.3Å; Q96-R98 PolarHBondContact O-N 2.91Å; Q96-E99 PolarHBondContact O-N 2.72Å; Q96-E99 VanDerWaalsContact O-N 3.11Å; Q96-F100 VanDerWaalsContact O-CD2 3.31Å; Q96-F100 WeakPolarHBondContact O-CD2 3.4Å; Q96-F100 PolarHBondContact O-N 3.21Å |
| 97 | I | 72 | Confident | 62.2 | Low | 89 Ų | 89 | 119.7 Ų | 119.7 | 46% | 0.456 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.5 | -44.8 | 178.8 | -61.7 | 172.8 | 0 | 0 | 0 | 110.1 | D93 E94 E99 F100 L101 | D93-I97 PolarHBondContact O-N 3.33Å; D93-I97 VanDerWaalsContact O-N 3.1Å; E94-I97 PolarHBondContact O-N 3.44Å; I97-E99 VanDerWaalsContact C-N 3.33Å; I97-E99 PolarHBondContact O-N 3.07Å; I97-F100 PolarHBondContact O-N 3.28Å; I97-L101 HydrophobicContact CG2-CD1 3.99Å; I97-L101 WeakPolarHBondContact O-CB 3.4Å; I97-L101 WeakPolarHBondContact O-CG 3.32Å; I97-L101 PolarHBondContact O-N 2.89Å |
| 98 | R | 74.6 | Confident | 63.5 | Low | 166 Ų | 166 | 115.4 Ų | 115.4 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.5 | -30.7 | 176.7 | -166.1 | -178.9 | -55.1 | -90.5 | -0.2 | 112.6 | E94 E95 Q96 S102 | E94-R98 WeakPolarHBondContact O-CB 3.26Å; E94-R98 PolarHBondContact O-N 3.47Å; E94-R98 IonicContact OE2-NH2 2.8Å; E94-R98 PolarHBondContact OE2-NH2 3.35Å; E95-R98 PolarHBondContact O-N 3.49Å; Q96-R98 VanDerWaalsContact C-N 3.3Å; Q96-R98 PolarHBondContact O-N 2.91Å; R98-S102 WeakPolarHBondContact O-CB 3.47Å; R98-S102 PolarHBondContact O-N 3.07Å |
| 99 | E | 75.3 | Confident | 64.5 | Low | 94 Ų | 94 | 114.9 Ų | 114.9 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73.8 | -47.3 | 172.7 | 170.5 | 150.9 | -133.6 | 0 | 0 | 112.7 | E95 Q96 I97 L101 S102 K104 N105 | E95-E99 VanDerWaalsContact O-CB 3.29Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.22Å; Q96-E99 PolarHBondContact O-N 2.72Å; Q96-E99 VanDerWaalsContact O-N 3.11Å; I97-E99 VanDerWaalsContact C-N 3.33Å; I97-E99 PolarHBondContact O-N 3.07Å; E99-L101 PolarHBondContact O-N 2.76Å; E99-S102 WeakPolarHBondContact O-CB 3.05Å; E99-S102 PolarHBondContact O-N 3.31Å; E99-S102 VanDerWaalsContact O-N 3.09Å; E99-K104 WeakPolarHBondContact OE1-CE 3.11Å; E99-K104 IonicContact OE1-NZ 2.56Å; E99-K104 PolarHBondContact OE1-NZ 3.24Å; E99-N105 PolarHBondContact O-ND2 2.97Å |
| 100 | F | 69.6 | Low | 65.4 | Low | 141 Ų | 141 | 116.2 Ų | 116.2 | 62% | 0.618 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.9 | -42.9 | 178 | -87.5 | -73.3 | 0 | 0 | 0 | 112 | Q96 I97 S102 | Q96-F100 VanDerWaalsContact O-CD2 3.31Å; Q96-F100 WeakPolarHBondContact O-CD2 3.4Å; Q96-F100 PolarHBondContact O-N 3.21Å; I97-F100 PolarHBondContact O-N 3.28Å; F100-S102 PolarHBondContact O-N 3.08Å |
| 101 | L | 70.5 | Confident | 65.9 | Low | 121 Ų | 121 | 114.7 Ų | 114.7 | 63% | 0.634 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -5.2 | 175.9 | -61.6 | 177.8 | 0 | 0 | 0 | 113.4 | I97 E99 L106 | I97-L101 HydrophobicContact CG2-CD1 3.99Å; I97-L101 WeakPolarHBondContact O-CB 3.4Å; I97-L101 WeakPolarHBondContact O-CG 3.32Å; I97-L101 PolarHBondContact O-N 2.89Å; E99-L101 PolarHBondContact O-N 2.76Å; L101-L106 WeakPolarHBondContact O-CD1 2.95Å |
| 102 | S | 75.4 | Confident | 65.9 | Low | 46 Ų | 46 | 113.6 Ų | 113.6 | 32% | 0.322 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -66.1 | 142.9 | 179.2 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | R98 E99 F100 K104 N105 L106 | R98-S102 WeakPolarHBondContact O-CB 3.47Å; R98-S102 PolarHBondContact O-N 3.07Å; E99-S102 WeakPolarHBondContact O-CB 3.05Å; E99-S102 PolarHBondContact O-N 3.31Å; E99-S102 VanDerWaalsContact O-N 3.09Å; F100-S102 PolarHBondContact O-N 3.08Å; S102-K104 PolarHBondContact O-N 2.98Å; S102-N105 PolarHBondContact O-N 3.34Å; S102-L106 PolarHBondContact O-N 3.46Å |
| 103 | A | 62.1 | Low | 65.7 | Low | 75 Ų | 75 | 111.2 Ų | 111.2 | 62% | 0.62 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -14.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 104 | K | 67.4 | Low | 65 | Low | 121 Ų | 121 | 111.4 Ų | 111.4 | 53% | 0.526 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -39.9 | 170.1 | 57 | 176.6 | 172.8 | 175.1 | 0 | 113 | E99 S102 | E99-K104 WeakPolarHBondContact OE1-CE 3.11Å; E99-K104 IonicContact OE1-NZ 2.56Å; E99-K104 PolarHBondContact OE1-NZ 3.24Å; S102-K104 PolarHBondContact O-N 2.98Å |
| 105 | N | 65.4 | Low | 64.3 | Low | 77 Ų | 77 | 113.3 Ų | 113.3 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -33.6 | -174.5 | -77.5 | -38.6 | 0 | 0 | 0 | 112.4 | E99 S102 K107 | E99-N105 PolarHBondContact O-ND2 2.97Å; S102-N105 PolarHBondContact O-N 3.34Å; N105-K107 PolarHBondContact O-N 3.22Å |
| 106 | L | 62.7 | Low | 63.6 | Low | 75 Ų | 75 | 116.5 Ų | 116.5 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | 15 | 177.8 | -57.2 | 178.9 | 0 | 0 | 0 | 114.6 | L101 S102 S108 V109 R110 | L101-L106 WeakPolarHBondContact O-CD1 2.95Å; S102-L106 PolarHBondContact O-N 3.46Å; L106-S108 PolarHBondContact O-N 3.48Å; L106-V109 PolarHBondContact O-N 3.49Å; L106-R110 PolarHBondContact O-N 3.42Å |
| 107 | K | 63.2 | Low | 62.9 | Low | 156 Ų | 156 | 117.5 Ų | 117.5 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.6 | -30 | -176 | -168.1 | 173.1 | -178.7 | 179.5 | 0 | 113.1 | N105 N111 | N105-K107 PolarHBondContact O-N 3.22Å; K107-N111 VanDerWaalsContact O-CB 3.26Å; K107-N111 WeakPolarHBondContact O-CB 3.34Å; K107-N111 PolarHBondContact O-N 2.98Å |
| 108 | S | 62 | Low | 62.1 | Low | 86 Ų | 86 | 117.5 Ų | 117.5 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.7 | -53 | 172 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | L106 R110 N111 D112 | L106-S108 PolarHBondContact O-N 3.48Å; S108-R110 PolarHBondContact O-N 2.85Å; S108-N111 PolarHBondContact O-N 3.19Å; S108-D112 PolarHBondContact O-N 3.01Å; S108-D112 VanDerWaalsContact O-N 3.14Å |
| 109 | V | 60.8 | Low | 61.2 | Low | 112 Ų | 112 | 113.5 Ų | 113.5 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -54.6 | -39.9 | 177.9 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | L106 N111 | L106-V109 PolarHBondContact O-N 3.49Å; V109-N111 VanDerWaalsContact C-N 3.33Å; V109-N111 PolarHBondContact O-N 2.95Å |
| 110 | R | 59.8 | Low | 60.6 | Low | 201 Ų | 201 | 112 Ų | 112 | 76% | 0.758 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.7 | -22.6 | 178.5 | -137.1 | 174.7 | -168.8 | 120.6 | 0.7 | 113.9 | L106 S108 S113 | L106-R110 PolarHBondContact O-N 3.42Å; S108-R110 PolarHBondContact O-N 2.85Å; R110-S113 PolarHBondContact O-OG 3.26Å |
| 111 | N | 56.6 | Low | 59.8 | Low | 104 Ų | 104 | 115.6 Ų | 115.6 | 56% | 0.556 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -105 | -7.2 | -170.9 | -157 | 38.8 | 0 | 0 | 0 | 114.3 | K107 S108 V109 S113 S114 | K107-N111 VanDerWaalsContact O-CB 3.26Å; K107-N111 WeakPolarHBondContact O-CB 3.34Å; K107-N111 PolarHBondContact O-N 2.98Å; S108-N111 PolarHBondContact O-N 3.19Å; V109-N111 VanDerWaalsContact C-N 3.33Å; V109-N111 PolarHBondContact O-N 2.95Å; N111-S113 PolarHBondContact O-N 3.42Å; N111-S114 VanDerWaalsContact O-CB 3.32Å; N111-S114 WeakPolarHBondContact O-CB 3.17Å; N111-S114 PolarHBondContact O-N 3.23Å; N111-S114 PolarHBondContact O-OG 3.11Å |
| 112 | D | 50.3 | Low | 59.3 | Low | 108 Ų | 108 | 113.2 Ų | 113.2 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -70.1 | -5.3 | 168.5 | -159.2 | 34.6 | 0 | 0 | 0 | 112.7 | S108 S114 K115 | S108-D112 PolarHBondContact O-N 3.01Å; S108-D112 VanDerWaalsContact O-N 3.14Å; D112-S114 PolarHBondContact O-N 3.3Å; D112-S114 VanDerWaalsContact O-N 3.08Å; D112-K115 PolarHBondContact O-N 3.35Å |
| 113 | S | 54.4 | Low | 58.3 | Low | 90 Ų | 90 | 122.8 Ų | 122.8 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -51.6 | -21.8 | 158.6 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | R110 N111 K115 | R110-S113 PolarHBondContact O-OG 3.26Å; N111-S113 PolarHBondContact O-N 3.42Å; S113-K115 VanDerWaalsContact C-N 3.3Å; S113-K115 PolarHBondContact O-N 2.9Å |
| 114 | S | 54.7 | Low | 57.9 | Low | 83 Ų | 83 | 129.7 Ų | 129.7 | 58% | 0.58 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -68.2 | -16.1 | 177.6 | 58 | 0 | 0 | 0 | 0 | 115.6 | N111 D112 | N111-S114 VanDerWaalsContact O-CB 3.32Å; N111-S114 WeakPolarHBondContact O-CB 3.17Å; N111-S114 PolarHBondContact O-N 3.23Å; N111-S114 PolarHBondContact O-OG 3.11Å; D112-S114 PolarHBondContact O-N 3.3Å; D112-S114 VanDerWaalsContact O-N 3.08Å |
| 115 | K | 53.4 | Low | 57.3 | Low | 176 Ų | 176 | 132.9 Ų | 132.9 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -90.9 | -5.9 | -175.3 | -96 | -179 | 178 | 173.3 | 0 | 116.9 | D112 S113 S117 | D112-K115 PolarHBondContact O-N 3.35Å; S113-K115 VanDerWaalsContact C-N 3.3Å; S113-K115 PolarHBondContact O-N 2.9Å; K115-S117 PolarHBondContact O-N 3.41Å |
| 116 | R | 54.4 | Low | 57.1 | Low | 224 Ų | 224 | 133 Ų | 133 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | trans | -99.6 | 63.6 | 167.7 | -80 | -169.1 | 171.3 | -179 | -1.4 | 112.3 | S118 | R116-S118 PolarHBondContact O-N 2.78Š| ||
| 117 | S | 55.3 | Low | 57.5 | Low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -73.2 | 55.6 | 164.1 | -162.5 | 0 | 0 | 0 | 0 | 111.9 | K115 | K115-S117 PolarHBondContact O-N 3.41Š| ||
| 118 | S | 56 | Low | 57.5 | Low | 90 Ų | 90 | 141.5 Ų | 141.5 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | trans | -117.1 | 73.7 | 161.8 | 58.2 | 0 | 0 | 0 | 0 | 105.6 | R116 C120 | R116-S118 PolarHBondContact O-N 2.78Å; S118-C120 PolarHBondContact O-N 2.86Å | ||
| 119 | G | 56.6 | Low | 57.5 | Low | 82 Ų | 82 | 141 Ų | 141 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -69.3 | 66.1 | -162 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 120 | C | 61.2 | Low | 57.3 | Low | 63 Ų | 63 | 139.1 Ų | 139.1 | 43% | 0.426 | 73% | 0.731 | S | S | . | * | trans | -142.8 | 70.8 | -178.7 | -164.2 | 0 | 0 | 0 | 0 | 112.8 | S118 C136 | S118-C120 PolarHBondContact O-N 2.86Å; C120-C136 WeakPolarHBondContact CA-SG 2.88Å; C120-C136 HydrophobicContact CB-CB 3.54Å; C120-C136 WeakPolarHBondContact CB-SG 3.41Å; C120-C136 WeakPolarHBondContact SG-CB 3.45Å; C120-C136 CovalentContact SG-SG 2.02Å; C120-C136 PolarHBondContact SG-SG 2.02Å | ||
| 121 | F | 54.2 | Low | 57.3 | Low | 216 Ų | 216 | 138.6 Ų | 138.6 | 95% | 0.947 | 74% | 0.74 | S | S | * | * | trans | -146.5 | 128.3 | 153.9 | -103.8 | -73.4 | 0 | 0 | 0 | 111.5 | ||||
| 122 | G | 58.6 | Low | 57 | Low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | 53.7 | 109 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 123 | R | 54.6 | Low | 57.3 | Low | 247 Ų | 247 | 136.6 Ų | 136.6 | 93% | 0.932 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -124.3 | -39.6 | 143.2 | -66.6 | -154.4 | 77.3 | 156.1 | 3.6 | 113.6 | ||
| 124 | R | 54.8 | Low | 57.4 | Low | 220 Ų | 220 | 139.8 Ų | 139.8 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | -146 | 144.5 | 166.6 | -58.3 | -172.7 | -168.8 | -73.3 | -2.1 | 108.9 | ||||
| 125 | M | 55 | Low | 57.4 | Low | 188 Ų | 188 | 138.6 Ų | 138.6 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 116.1 | 158.3 | -175.3 | -164.5 | -60.6 | 0 | 0 | 105.8 | R127 | M125-R127 PolarHBondContact O-N 2.74Š|
| 126 | D | 59.5 | Low | 57.4 | Low | 80 Ų | 80 | 132.9 Ų | 132.9 | 43% | 0.428 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 134 | 177.8 | -84.4 | -54.8 | 0 | 0 | 0 | 110.4 | S132 | D126-S132 WeakPolarHBondContact OD2-CB 3.45Å; D126-S132 PolarHBondContact OD2-OG 3.46Å |
| 127 | R | 71.9 | Confident | 57.3 | Low | 220 Ų | 220 | 128.6 Ų | 128.6 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 142 | -179.7 | -70.9 | -175.9 | 173.4 | -169.6 | -2.6 | 109.4 | M125 G129 S130 | M125-R127 PolarHBondContact O-N 2.74Å; R127-G129 PolarHBondContact O-N 3.19Å; R127-S130 PolarHBondContact O-N 3.28Å |
| 128 | I | 62.8 | Low | 57.2 | Low | 188 Ų | 188 | 129.4 Ų | 129.4 | 96% | 0.964 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 116.1 | 178.1 | -61 | 169.1 | 0 | 0 | 0 | 109 | ||
| 129 | G | 63.1 | Low | 57.1 | Low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.4 | -27.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R127 | R127-G129 PolarHBondContact O-N 3.19Š|
| 130 | S | 56.3 | Low | 57 | Low | 72 Ų | 72 | 131.6 Ų | 131.6 | 50% | 0.503 | 73% | 0.726 | S | S | . | * | trans | -87.9 | 110.6 | 175.4 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | R127 S132 | R127-S130 PolarHBondContact O-N 3.28Å; S130-S132 PolarHBondContact O-N 3.31Å; S130-S132 VanDerWaalsContact O-N 3.07Å | ||
| 131 | M | 58.8 | Low | 56.7 | Low | 190 Ų | 190 | 139.4 Ų | 139.4 | 94% | 0.936 | 75% | 0.747 | S | S | * | * | trans | -82.4 | 75.3 | 177.6 | -69 | -137.9 | 73.5 | 0 | 0 | 113 | S133 | M131-S133 PolarHBondContact O-N 3.12Š| ||
| 132 | S | 52 | Low | 56.6 | Low | 68 Ų | 68 | 138.8 Ų | 138.8 | 48% | 0.476 | 74% | 0.74 | S | S | . | * | trans | -82.8 | 95.9 | 172.9 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | D126 S130 L134 | D126-S132 WeakPolarHBondContact OD2-CB 3.45Å; D126-S132 PolarHBondContact OD2-OG 3.46Å; S130-S132 PolarHBondContact O-N 3.31Å; S130-S132 VanDerWaalsContact O-N 3.07Å; S132-L134 PolarHBondContact O-N 2.88Å; S132-L134 VanDerWaalsContact O-N 3.1Å | ||
| 133 | S | 56.7 | Low | 56.6 | Low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | -75.2 | 15.2 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 114.9 | M131 | M131-S133 PolarHBondContact O-N 3.12Š| ||
| 134 | L | 56.1 | Low | 56.9 | Low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | trans | -109.2 | 28.9 | -169.5 | -61.3 | 179.3 | 0 | 0 | 0 | 113.7 | S132 C136 | S132-L134 PolarHBondContact O-N 2.88Å; S132-L134 VanDerWaalsContact O-N 3.1Å; L134-C136 PolarHBondContact O-N 3.38Å | ||
| 135 | G | 53.8 | Low | 56.6 | Low | 59 Ų | 59 | 138 Ų | 138 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -78.3 | 86.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N137 | G135-N137 PolarHBondContact O-N 3.18Š|
| 136 | C | 54.7 | Low | 56.7 | Low | 55 Ų | 55 | 135.5 Ų | 135.5 | 37% | 0.372 | 74% | 0.737 | S | S | . | * | trans | 49.6 | 60.3 | 154 | -43.2 | 0 | 0 | 0 | 0 | 117.7 | C120 L134 T138 | C120-C136 WeakPolarHBondContact CA-SG 2.88Å; C120-C136 HydrophobicContact CB-CB 3.54Å; C120-C136 WeakPolarHBondContact CB-SG 3.41Å; C120-C136 WeakPolarHBondContact SG-CB 3.45Å; C120-C136 CovalentContact SG-SG 2.02Å; C120-C136 PolarHBondContact SG-SG 2.02Å; L134-C136 PolarHBondContact O-N 3.38Å; C136-T138 PolarHBondContact O-N 3.1Å | ||
| 137 | N | 51 | Low | 56.5 | Low | 135 Ų | 135 | 138.4 Ų | 138.4 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | -62.4 | 99.3 | 172.9 | -70.5 | -39.1 | 0 | 0 | 0 | 111.7 | G135 I139 | G135-N137 PolarHBondContact O-N 3.18Å; N137-I139 PolarHBondContact O-N 3.49Å; N137-I139 VanDerWaalsContact O-N 3.12Å | ||
| 138 | T | 53.7 | Low | 55.6 | Low | 138 Ų | 138 | 133.8 Ų | 133.8 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | -70.4 | 101.5 | 162.1 | 40.7 | 0 | 0 | 0 | 0 | 108.2 | C136 G140 | C136-T138 PolarHBondContact O-N 3.1Å; T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 3.32Å | ||
| 139 | I | 53.8 | Low | 55.2 | Low | 154 Ų | 154 | 130.6 Ų | 130.6 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -69.5 | 86.7 | 178.6 | -58 | 176.8 | 0 | 0 | 0 | 108.7 | N137 R141 | N137-I139 PolarHBondContact O-N 3.49Å; N137-I139 VanDerWaalsContact O-N 3.12Å; I139-R141 PolarHBondContact O-N 2.62Å | ||
| 140 | G | 54.3 | Low | 54.7 | Low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -58.2 | 129 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | T138 Y142 | T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 3.32Å; G140-Y142 PolarHBondContact O-N 3.07Å | ||
| 141 | R | 56.1 | Low | 54.6 | Low | 227 Ų | 227 | 138.1 Ų | 138.1 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | trans | -67.9 | 93.5 | -179.5 | -66.3 | -71.5 | -169.2 | 155.5 | 3.7 | 109.9 | I139 N143 | I139-R141 PolarHBondContact O-N 2.62Å; R141-N143 PolarHBondContact O-N 2.94Å; R141-N143 VanDerWaalsContact O-N 3.11Å; R141-N143 PolarHBondContact O-ND2 3.06Å | ||
| 142 | Y | 52 | Low | 54.3 | Low | 204 Ų | 204 | 134.4 Ų | 134.4 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -66.5 | 107.8 | 169.1 | -170 | -91.4 | 0 | 0 | 0 | 109.1 | G140 P144 | G140-Y142 PolarHBondContact O-N 3.07Å; Y142-P144 HydrophobicContact CE1-CB 4.21Å; Y142-P144 WeakPolarHBondContact O-CD 3.08Å | ||
| 143 | N | 56.9 | Low | 54.5 | Low | 137 Ų | 137 | 139.5 Ų | 139.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -94.7 | 110.6 | 169.5 | -74.9 | -81.7 | 0 | 0 | 0 | 107.9 | R141 | R141-N143 PolarHBondContact O-N 2.94Å; R141-N143 VanDerWaalsContact O-N 3.11Å; R141-N143 PolarHBondContact O-ND2 3.06Å | ||
| 144 | P | 62.5 | Low | 54.3 | Low | 101 Ų | 101 | 142.7 Ų | 142.7 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | trans | -66.4 | 153.6 | 166.5 | 30 | -33.3 | 0 | 0 | 0 | 110.3 | Y142 | Y142-P144 HydrophobicContact CE1-CB 4.21Å; Y142-P144 WeakPolarHBondContact O-CD 3.08Å | ||
| 145 | K | 47.2 | Very low | 54.2 | Low | 282 Ų | 282 | 141.5 Ų | 141.5 | 100% | 1.226 | 75% | 0.752 | S | S | * | * | trans | -100.3 | 0 | 160.1 | -81.3 | -174.7 | 173.6 | -178.7 | 0 | 109 |
Retrieved 145 of 145 residues in 23.6 ms
(Link to these results)