| 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 | 41.6 | Very low | 51.3 | Low | 205 Ų | 205 | 130.8 Ų | 130.8 | 100% | 1.01 | 61% | 0.607 | S | S | * | * | 0 | -56 | 0 | -100.8 | 168 | 114.1 | 0 | 0 | 112.1 | F3 R4 | M1-F3 PolarHBondContact O-N 2.83Å; M1-F3 VanDerWaalsContact O-N 3.16Å; M1-R4 PolarHBondContact O-N 2.76Å; M1-R4 VanDerWaalsContact O-N 3.12Å | |||
| 2 | W | 43.1 | Very low | 51.5 | Low | 208 Ų | 208 | 121.6 Ų | 121.6 | 79% | 0.788 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.6 | -23.5 | -170.1 | -74.2 | 60.6 | 0 | 0 | 0 | 117.8 | R4 V6 | W2-R4 VanDerWaalsContact C-N 3.27Å; W2-R4 PolarHBondContact O-N 3.35Å; W2-V6 PolarHBondContact O-N 3.14Å |
| 3 | F | 48.1 | Very low | 51.3 | Low | 197 Ų | 197 | 119.8 Ų | 119.8 | 86% | 0.864 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70 | -24.7 | 176 | -87.5 | -80.6 | 0 | 0 | 0 | 113.2 | M1 | M1-F3 PolarHBondContact O-N 2.83Å; M1-F3 VanDerWaalsContact O-N 3.16Å |
| 4 | R | 49.7 | Very low | 51.7 | Low | 194 Ų | 194 | 114.6 Ų | 114.6 | 73% | 0.732 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -80.5 | -41.5 | 179.6 | -162.9 | 169.8 | 157.2 | 174.2 | -6.9 | 110.8 | M1 W2 V6 Y7 D8 | M1-R4 PolarHBondContact O-N 2.76Å; M1-R4 VanDerWaalsContact O-N 3.12Å; W2-R4 VanDerWaalsContact C-N 3.27Å; W2-R4 PolarHBondContact O-N 3.35Å; R4-V6 VanDerWaalsContact C-N 3.33Å; R4-V6 PolarHBondContact O-N 3.31Å; R4-Y7 PolarHBondContact O-N 3.39Å; R4-D8 PolarHBondContact O-N 2.8Å |
| 5 | D | 52.4 | Low | 52 | Low | 80 Ų | 80 | 114.5 Ų | 114.5 | 43% | 0.428 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62 | -36.6 | 179.8 | -54.4 | -33 | 0 | 0 | 0 | 113 | I9 | D5-I9 WeakPolarHBondContact O-CD1 3.38Å; D5-I9 WeakPolarHBondContact O-CG1 3.38Å; D5-I9 PolarHBondContact O-N 3.27Å |
| 6 | V | 53.7 | Low | 52.4 | Low | 81 Ų | 81 | 114.3 Ų | 114.3 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -76.2 | -32.8 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | W2 R4 I9 A10 | W2-V6 PolarHBondContact O-N 3.14Å; R4-V6 VanDerWaalsContact C-N 3.33Å; R4-V6 PolarHBondContact O-N 3.31Å; V6-I9 PolarHBondContact O-N 2.94Å; V6-A10 WeakPolarHBondContact O-CB 3.22Å; V6-A10 PolarHBondContact O-N 3.32Å |
| 7 | Y | 56.9 | Low | 53 | Low | 161 Ų | 161 | 111.9 Ų | 111.9 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.6 | -40.4 | 174.4 | -167.6 | -102.8 | 0 | 0 | 0 | 110.6 | R4 A10 L11 | R4-Y7 PolarHBondContact O-N 3.39Å; Y7-A10 PolarHBondContact O-N 2.75Å; Y7-L11 HydrophobicContact CD1-CD1 3.54Å; Y7-L11 HydrophobicContact CE1-CD1 3.22Å; Y7-L11 HydrophobicContact CE1-CG 4.34Å; Y7-L11 HydrophobicContact CG-CD1 4.47Å; Y7-L11 WeakPolarHBondContact O-CB 3.37Å; Y7-L11 PolarHBondContact O-N 3.34Å |
| 8 | D | 55.8 | Low | 53.6 | Low | 87 Ų | 87 | 109.6 Ų | 109.6 | 47% | 0.465 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 175.6 | -68.2 | -24.4 | 0 | 0 | 0 | 112 | R4 G12 | R4-D8 PolarHBondContact O-N 2.8Å; D8-G12 PolarHBondContact O-N 2.65Å |
| 9 | I | 54.2 | Low | 54.1 | Low | 107 Ų | 107 | 110.2 Ų | 110.2 | 55% | 0.549 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 174.1 | -68.3 | 163 | 0 | 0 | 0 | 111.9 | D5 V6 G12 L13 | D5-I9 WeakPolarHBondContact O-CD1 3.38Å; D5-I9 WeakPolarHBondContact O-CG1 3.38Å; D5-I9 PolarHBondContact O-N 3.27Å; V6-I9 PolarHBondContact O-N 2.94Å; I9-G12 PolarHBondContact O-N 3.21Å; I9-L13 HydrophobicContact CG2-CD1 3.97Å; I9-L13 PolarHBondContact O-N 3.36Å |
| 10 | A | 54.7 | Low | 54.7 | Low | 31 Ų | 31 | 112.3 Ų | 112.3 | 26% | 0.256 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.1 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V6 Y7 G12 L13 G14 | V6-A10 WeakPolarHBondContact O-CB 3.22Å; V6-A10 PolarHBondContact O-N 3.32Å; Y7-A10 PolarHBondContact O-N 2.75Å; A10-G12 VanDerWaalsContact C-N 3.32Å; A10-L13 PolarHBondContact O-N 3.4Å; A10-G14 PolarHBondContact O-N 2.92Å |
| 11 | L | 53.5 | Low | 55.2 | Low | 88 Ų | 88 | 109.4 Ų | 109.4 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 169.8 | -93.2 | 157.3 | 0 | 0 | 0 | 111.7 | Y7 G14 N15 | Y7-L11 HydrophobicContact CD1-CD1 3.54Å; Y7-L11 HydrophobicContact CE1-CD1 3.22Å; Y7-L11 HydrophobicContact CE1-CG 4.34Å; Y7-L11 HydrophobicContact CG-CD1 4.47Å; Y7-L11 WeakPolarHBondContact O-CB 3.37Å; Y7-L11 PolarHBondContact O-N 3.34Å; L11-G14 PolarHBondContact O-N 3.26Å; L11-N15 PolarHBondContact O-N 3.2Å; L11-N15 VanDerWaalsContact O-N 3.17Å |
| 12 | G | 53.7 | Low | 56.3 | Low | 20 Ų | 20 | 103.4 Ų | 103.4 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -56.1 | -57.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | D8 I9 A10 G14 N15 F16 | D8-G12 PolarHBondContact O-N 2.65Å; I9-G12 PolarHBondContact O-N 3.21Å; A10-G12 VanDerWaalsContact C-N 3.32Å; G12-G14 VanDerWaalsContact C-N 3.29Å; G12-G14 PolarHBondContact O-N 2.87Å; G12-N15 PolarHBondContact O-N 3.11Å; G12-N15 VanDerWaalsContact O-N 3.09Å; G12-F16 WeakPolarHBondContact O-CB 3.4Å; G12-F16 WeakPolarHBondContact O-CD2 3.34Å; G12-F16 WeakPolarHBondContact O-CG 3.05Å; G12-F16 PolarHBondContact O-N 3.17Å |
| 13 | L | 50 | Low | 57.6 | Low | 99 Ų | 99 | 98 Ų | 98 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 179.9 | -81.9 | 156.2 | 0 | 0 | 0 | 112.9 | I9 A10 N15 F16 V17 | I9-L13 HydrophobicContact CG2-CD1 3.97Å; I9-L13 PolarHBondContact O-N 3.36Å; A10-L13 PolarHBondContact O-N 3.4Å; L13-N15 VanDerWaalsContact C-N 3.32Å; L13-N15 PolarHBondContact O-N 3.43Å; L13-F16 PolarHBondContact O-N 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.17Å; L13-V17 VanDerWaalsContact O-N 3.14Å |
| 14 | G | 55.6 | Low | 58.7 | Low | 47 Ų | 47 | 95.3 Ų | 95.3 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -34 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | A10 L11 G12 P18 | A10-G14 PolarHBondContact O-N 2.92Å; L11-G14 PolarHBondContact O-N 3.26Å; G12-G14 VanDerWaalsContact C-N 3.29Å; G12-G14 PolarHBondContact O-N 2.87Å; G14-P18 WeakPolarHBondContact O-CD 3.36Å; G14-P18 WeakPolarHBondContact O-CG 3.02Å |
| 15 | N | 57.4 | Low | 59.6 | Low | 113 Ų | 113 | 90.6 Ų | 90.6 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -87.5 | -30.4 | 176 | -78.9 | -8.5 | 0 | 0 | 0 | 113.4 | L11 G12 L13 | L11-N15 PolarHBondContact O-N 3.2Å; L11-N15 VanDerWaalsContact O-N 3.17Å; G12-N15 PolarHBondContact O-N 3.11Å; G12-N15 VanDerWaalsContact O-N 3.09Å; L13-N15 VanDerWaalsContact C-N 3.32Å; L13-N15 PolarHBondContact O-N 3.43Å |
| 16 | F | 57.8 | Low | 60.3 | Low | 111 Ų | 111 | 90 Ų | 90 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73 | -40.2 | -178.4 | -82 | -63.7 | 0 | 0 | 0 | 112.7 | G12 L13 Q19 Y20 | G12-F16 WeakPolarHBondContact O-CB 3.4Å; G12-F16 WeakPolarHBondContact O-CD2 3.34Å; G12-F16 WeakPolarHBondContact O-CG 3.05Å; G12-F16 PolarHBondContact O-N 3.17Å; L13-F16 PolarHBondContact O-N 3.26Å; F16-Q19 PolarHBondContact O-N 3.46Å; F16-Y20 HydrophobicContact CB-CD2 4.26Å; F16-Y20 HydrophobicContact CB-CE2 4.36Å; F16-Y20 HydrophobicContact CD1-CD2 4.25Å; F16-Y20 AromaticContact CD1-CE2 3.63Å; F16-Y20 HydrophobicContact CD1-CE2 3.63Å; F16-Y20 HydrophobicContact CE1-CE2 4.39Å; F16-Y20 HydrophobicContact CG-CE2 4.38Å; F16-Y20 VanDerWaalsContact O-CD2 3.26Å; F16-Y20 WeakPolarHBondContact O-CD2 3.25Å; F16-Y20 PolarHBondContact O-N 3.31Å |
| 17 | V | 63.1 | Low | 60.9 | Low | 74 Ų | 74 | 89 Ų | 89 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | -175.9 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | L13 Q19 L21 | L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.17Å; L13-V17 VanDerWaalsContact O-N 3.14Å; V17-Q19 PolarHBondContact O-N 2.99Å; V17-L21 WeakPolarHBondContact O-CB 3.26Å; V17-L21 PolarHBondContact O-N 3.09Å |
| 18 | P | 62.9 | Low | 61.5 | Low | 70 Ų | 70 | 85.8 Ų | 85.8 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 177 | -22.2 | 32.9 | 0 | 0 | 0 | 113.5 | G14 L21 C22 | G14-P18 WeakPolarHBondContact O-CD 3.36Å; G14-P18 WeakPolarHBondContact O-CG 3.02Å; P18-L21 PolarHBondContact O-N 3.38Å; P18-C22 PolarHBondContact O-N 2.66Å; P18-C22 PolarHBondContact O-SG 2.8Å; P18-C22 VanDerWaalsContact O-SG 3.35Å |
| 19 | Q | 63.2 | Low | 61.9 | Low | 121 Ų | 121 | 87.4 Ų | 87.4 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.4 | -47.1 | -178.3 | -83.2 | 171.6 | -20.2 | 0 | 0 | 112.4 | F16 V17 L21 C22 I23 | F16-Q19 PolarHBondContact O-N 3.46Å; V17-Q19 PolarHBondContact O-N 2.99Å; Q19-L21 PolarHBondContact O-N 3.32Å; Q19-C22 PolarHBondContact O-N 3.33Å; Q19-I23 WeakPolarHBondContact O-CD1 3.49Å; Q19-I23 VanDerWaalsContact O-CG1 3.25Å; Q19-I23 WeakPolarHBondContact O-CG1 3.45Å; Q19-I23 PolarHBondContact O-N 3Å |
| 20 | Y | 65.5 | Low | 62.4 | Low | 152 Ų | 152 | 88.1 Ų | 88.1 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.4 | -28.7 | 174.7 | -78.3 | -71.3 | 0 | 0 | 0 | 112.2 | F16 I23 F24 | F16-Y20 HydrophobicContact CB-CD2 4.26Å; F16-Y20 HydrophobicContact CB-CE2 4.36Å; F16-Y20 HydrophobicContact CD1-CD2 4.25Å; F16-Y20 AromaticContact CD1-CE2 3.63Å; F16-Y20 HydrophobicContact CD1-CE2 3.63Å; F16-Y20 HydrophobicContact CE1-CE2 4.39Å; F16-Y20 HydrophobicContact CG-CE2 4.38Å; F16-Y20 VanDerWaalsContact O-CD2 3.26Å; F16-Y20 WeakPolarHBondContact O-CD2 3.25Å; F16-Y20 PolarHBondContact O-N 3.31Å; Y20-I23 PolarHBondContact O-N 3.48Å; Y20-F24 VanDerWaalsContact O-CB 3.23Å; Y20-F24 WeakPolarHBondContact O-CB 3.39Å; Y20-F24 PolarHBondContact O-N 2.63Å |
| 21 | L | 65.3 | Low | 62.7 | Low | 52 Ų | 52 | 92.7 Ų | 92.7 | 27% | 0.272 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.4 | -41.4 | 176.1 | -164 | 160.5 | 0 | 0 | 0 | 111.6 | V17 P18 Q19 I23 F24 L25 Y651 | V17-L21 WeakPolarHBondContact O-CB 3.26Å; V17-L21 PolarHBondContact O-N 3.09Å; P18-L21 PolarHBondContact O-N 3.38Å; Q19-L21 PolarHBondContact O-N 3.32Å; L21-I23 VanDerWaalsContact C-N 3.3Å; L21-I23 PolarHBondContact O-N 2.97Å; L21-F24 PolarHBondContact O-N 3.01Å; L21-L25 WeakPolarHBondContact O-CB 3.25Å; L21-L25 PolarHBondContact O-N 3.41Å; L21-Y651 HydrophobicContact CD1-CE1 4.04Å; L21-Y651 WeakPolarHBondContact CD1-OH 3.26Å; L21-Y651 HydrophobicContact CD2-CE1 4.46Å |
| 22 | C | 66.3 | Low | 63 | Low | 78 Ų | 78 | 91.3 Ų | 91.3 | 53% | 0.527 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 170.1 | -74 | 0 | 0 | 0 | 0 | 111.7 | P18 Q19 S26 | P18-C22 PolarHBondContact O-N 2.66Å; P18-C22 PolarHBondContact O-SG 2.8Å; P18-C22 VanDerWaalsContact O-SG 3.35Å; Q19-C22 PolarHBondContact O-N 3.33Å; C22-S26 VanDerWaalsContact O-CB 3.26Å; C22-S26 WeakPolarHBondContact O-CB 3.23Å; C22-S26 PolarHBondContact O-N 3.27Å; C22-S26 PolarHBondContact O-OG 3.34Å |
| 23 | I | 70.2 | Confident | 62.9 | Low | 96 Ų | 96 | 96 Ų | 96 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 174.8 | -65.9 | 163.7 | 0 | 0 | 0 | 109.7 | Q19 Y20 L21 L25 S26 T27 | Q19-I23 WeakPolarHBondContact O-CD1 3.49Å; Q19-I23 VanDerWaalsContact O-CG1 3.25Å; Q19-I23 WeakPolarHBondContact O-CG1 3.45Å; Q19-I23 PolarHBondContact O-N 3Å; Y20-I23 PolarHBondContact O-N 3.48Å; L21-I23 VanDerWaalsContact C-N 3.3Å; L21-I23 PolarHBondContact O-N 2.97Å; I23-L25 PolarHBondContact O-N 3.34Å; I23-S26 PolarHBondContact O-N 3.32Å; I23-T27 WeakPolarHBondContact O-CA 3.34Å; I23-T27 WeakPolarHBondContact O-CB 3.3Å; I23-T27 PolarHBondContact O-N 3.08Å; I23-T27 PolarHBondContact O-OG1 3.18Å |
| 24 | F | 70.9 | Confident | 63 | Low | 140 Ų | 140 | 97.3 Ų | 97.3 | 61% | 0.614 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | -179.2 | -177.1 | -100.2 | 0 | 0 | 0 | 112.1 | Y20 L21 T27 L28 | Y20-F24 VanDerWaalsContact O-CB 3.23Å; Y20-F24 WeakPolarHBondContact O-CB 3.39Å; Y20-F24 PolarHBondContact O-N 2.63Å; L21-F24 PolarHBondContact O-N 3.01Å; F24-T27 PolarHBondContact O-N 3.3Å; F24-L28 VanDerWaalsContact O-CB 3.29Å; F24-L28 WeakPolarHBondContact O-CB 3.46Å; F24-L28 PolarHBondContact O-N 3.06Å |
| 25 | L | 68.9 | Low | 62.8 | Low | 95 Ų | 95 | 98.1 Ų | 98.1 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.8 | -174.1 | 68 | 0 | 0 | 0 | 111.5 | L21 I23 T27 L28 L29 | L21-L25 WeakPolarHBondContact O-CB 3.25Å; L21-L25 PolarHBondContact O-N 3.41Å; I23-L25 PolarHBondContact O-N 3.34Å; L25-T27 VanDerWaalsContact C-N 3.31Å; L25-T27 PolarHBondContact O-N 3.25Å; L25-L28 PolarHBondContact O-N 3.22Å; L25-L29 WeakPolarHBondContact O-CG 3.33Å; L25-L29 PolarHBondContact O-N 3.46Å |
| 26 | S | 65.9 | Low | 62.7 | Low | 68 Ų | 68 | 98 Ų | 98 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | C22 I23 L29 V30 | C22-S26 VanDerWaalsContact O-CB 3.26Å; C22-S26 WeakPolarHBondContact O-CB 3.23Å; C22-S26 PolarHBondContact O-N 3.27Å; C22-S26 PolarHBondContact O-OG 3.34Å; I23-S26 PolarHBondContact O-N 3.32Å; S26-L29 PolarHBondContact O-N 3.43Å; S26-V30 WeakPolarHBondContact O-CB 3.44Å; S26-V30 VanDerWaalsContact O-CG2 3.23Å; S26-V30 WeakPolarHBondContact O-CG2 3.39Å; S26-V30 PolarHBondContact O-N 3.32Å |
| 27 | T | 67.3 | Low | 62.4 | Low | 59 Ų | 59 | 98.3 Ų | 98.3 | 36% | 0.362 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 179 | -56 | 0 | 0 | 0 | 0 | 110.5 | I23 F24 L25 V30 L31 | I23-T27 WeakPolarHBondContact O-CA 3.34Å; I23-T27 WeakPolarHBondContact O-CB 3.3Å; I23-T27 PolarHBondContact O-N 3.08Å; I23-T27 PolarHBondContact O-OG1 3.18Å; F24-T27 PolarHBondContact O-N 3.3Å; L25-T27 VanDerWaalsContact C-N 3.31Å; L25-T27 PolarHBondContact O-N 3.25Å; T27-V30 PolarHBondContact O-N 2.91Å; T27-L31 HydrophobicContact CG2-CD1 3.3Å; T27-L31 VanDerWaalsContact O-CB 3.27Å; T27-L31 WeakPolarHBondContact O-CB 3.31Å; T27-L31 WeakPolarHBondContact O-CD1 3.33Å; T27-L31 PolarHBondContact O-N 2.82Å |
| 28 | L | 69 | Low | 62.3 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 49% | 0.492 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 174.4 | -170.2 | 76.6 | 0 | 0 | 0 | 111 | F24 L25 V30 T32 | F24-L28 VanDerWaalsContact O-CB 3.29Å; F24-L28 WeakPolarHBondContact O-CB 3.46Å; F24-L28 PolarHBondContact O-N 3.06Å; L25-L28 PolarHBondContact O-N 3.22Å; L28-V30 VanDerWaalsContact C-N 3.34Å; L28-T32 VanDerWaalsContact O-CG2 3.32Å; L28-T32 WeakPolarHBondContact O-CG2 3.35Å; L28-T32 PolarHBondContact O-N 3.24Å; L28-T32 PolarHBondContact O-OG1 3.33Å |
| 29 | L | 65.5 | Low | 62.6 | Low | 121 Ų | 121 | 98.5 Ų | 98.5 | 63% | 0.634 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -34.8 | 175.4 | -73.4 | 166.8 | 0 | 0 | 0 | 112.6 | L25 S26 T32 | L25-L29 WeakPolarHBondContact O-CG 3.33Å; L25-L29 PolarHBondContact O-N 3.46Å; S26-L29 PolarHBondContact O-N 3.43Å; L29-T32 PolarHBondContact O-OG1 2.83Å |
| 30 | V | 64.6 | Low | 63.5 | Low | 122 Ų | 122 | 95.7 Ų | 95.7 | 74% | 0.739 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -78.9 | -36.8 | 177 | 173 | 0 | 0 | 0 | 0 | 112.1 | S26 T27 L28 | S26-V30 WeakPolarHBondContact O-CB 3.44Å; S26-V30 VanDerWaalsContact O-CG2 3.23Å; S26-V30 WeakPolarHBondContact O-CG2 3.39Å; S26-V30 PolarHBondContact O-N 3.32Å; T27-V30 PolarHBondContact O-N 2.91Å; L28-V30 VanDerWaalsContact C-N 3.34Å |
| 31 | L | 60.1 | Low | 64.5 | Low | 127 Ų | 127 | 90 Ų | 90 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -81.9 | -13.4 | 178.4 | -97.3 | 111.2 | 0 | 0 | 0 | 113.7 | T27 P33 | T27-L31 HydrophobicContact CG2-CD1 3.3Å; T27-L31 VanDerWaalsContact O-CB 3.27Å; T27-L31 WeakPolarHBondContact O-CB 3.31Å; T27-L31 WeakPolarHBondContact O-CD1 3.33Å; T27-L31 PolarHBondContact O-N 2.82Å; L31-P33 VanDerWaalsContact O-CD 3.29Å; L31-P33 WeakPolarHBondContact O-CD 3.49Å; L31-P33 VanDerWaalsContact O-N 3.12Å |
| 32 | T | 60.4 | Low | 65.6 | Low | 58 Ų | 58 | 93.3 Ų | 93.3 | 36% | 0.356 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -61.4 | 118.6 | 170.4 | 39.9 | 0 | 0 | 0 | 0 | 108.7 | L28 L29 F34 | L28-T32 VanDerWaalsContact O-CG2 3.32Å; L28-T32 WeakPolarHBondContact O-CG2 3.35Å; L28-T32 PolarHBondContact O-N 3.24Å; L28-T32 PolarHBondContact O-OG1 3.33Å; L29-T32 PolarHBondContact O-OG1 2.83Å; T32-F34 HydrophobicContact CG2-CD2 4.48Å; T32-F34 HydrophobicContact CG2-CE2 4.3Å; T32-F34 PolarHBondContact O-N 3.37Å |
| 33 | P | 51.4 | Low | 66.8 | Low | 120 Ų | 120 | 90.4 Ų | 90.4 | 78% | 0.779 | 51% | 0.505 | S | S | * | . | trans | -79.7 | 36.4 | -168.6 | 34.7 | -37.2 | 0 | 0 | 0 | 112.2 | L31 S35 | L31-P33 VanDerWaalsContact O-CD 3.29Å; L31-P33 WeakPolarHBondContact O-CD 3.49Å; L31-P33 VanDerWaalsContact O-N 3.12Å; P33-S35 PolarHBondContact O-N 2.86Å | ||
| 34 | F | 52.5 | Low | 67.7 | Low | 126 Ų | 126 | 88.8 Ų | 88.8 | 55% | 0.553 | 50% | 0.5 | S | S | * | . | trans | -85.1 | 92.9 | 173.5 | -61.3 | -66.1 | 0 | 0 | 0 | 107.6 | T32 P36 | T32-F34 HydrophobicContact CG2-CD2 4.48Å; T32-F34 HydrophobicContact CG2-CE2 4.3Å; T32-F34 PolarHBondContact O-N 3.37Å; F34-P36 WeakPolarHBondContact O-CD 3.44Å; F34-P36 VanDerWaalsContact O-N 3.15Å | ||
| 35 | S | 50.8 | Low | 68.8 | Low | 63 Ų | 63 | 82.1 Ų | 82.1 | 44% | 0.441 | 47% | 0.47 | S | S | . | . | trans | -54.5 | 113.2 | 149.5 | 39.8 | 0 | 0 | 0 | 0 | 106.5 | P33 V37 D38 | P33-S35 PolarHBondContact O-N 2.86Å; S35-V37 PolarHBondContact O-N 3.34Å; S35-V37 VanDerWaalsContact O-N 3.09Å; S35-D38 PolarHBondContact OG-OD2 3.14Å | ||
| 36 | P | 54.2 | Low | 69.9 | Low | 110 Ų | 110 | 79.3 Ų | 79.3 | 71% | 0.714 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -64.5 | -12.7 | 174.7 | 27 | -33.8 | 0 | 0 | 0 | 111.8 | F34 A39 | F34-P36 WeakPolarHBondContact O-CD 3.44Å; F34-P36 VanDerWaalsContact O-N 3.15Å; P36-A39 WeakPolarHBondContact O-CB 3.48Å; P36-A39 PolarHBondContact O-N 2.89Å |
| 37 | V | 52.8 | Low | 71.3 | Confident | 119 Ų | 119 | 76.5 Ų | 76.5 | 72% | 0.721 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -68.3 | -32.3 | -173.9 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | S35 A39 | S35-V37 PolarHBondContact O-N 3.34Å; S35-V37 VanDerWaalsContact O-N 3.09Å; V37-A39 VanDerWaalsContact C-N 3.26Å; V37-A39 PolarHBondContact O-N 3.37Å |
| 38 | D | 60.5 | Low | 72.5 | Confident | 111 Ų | 111 | 74 Ų | 74 | 59% | 0.594 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -86.2 | 7.5 | -178.5 | -56.9 | -47.8 | 0 | 0 | 0 | 113.5 | S35 | S35-D38 PolarHBondContact OG-OD2 3.14Š|
| 39 | A | 69.8 | Low | 73.7 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 31% | 0.306 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -79.3 | -18.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P36 V37 H633 R634 | P36-A39 WeakPolarHBondContact O-CB 3.48Å; P36-A39 PolarHBondContact O-N 2.89Å; V37-A39 VanDerWaalsContact C-N 3.26Å; V37-A39 PolarHBondContact O-N 3.37Å; A39-H633 WeakPolarHBondContact O-CA 3.47Å; A39-R634 PolarHBondContact O-N 2.81Å |
| 40 | V | 81.5 | Confident | 75 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.5 | -174.6 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | E42 V632 H633 | V40-E42 HydrophobicContact CG1-CG 4.21Å; V40-V632 WeakPolarHBondContact CA-O 3.26Å; V40-H633 WeakPolarHBondContact CG2-ND1 3.4Å |
| 41 | Q | 86.3 | Confident | 76.4 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.3 | 170.5 | -59.2 | -173.4 | 19.7 | 0 | 0 | 109 | S146 V150 V632 | Q41-S146 PolarHBondContact OE1-O 3.4Å; Q41-V150 HydrophobicContact CB-CG2 4.44Å; Q41-V632 HydrophobicContact CB-CB 4.41Å; Q41-V632 PolarHBondContact N-O 3.39Å; Q41-V632 PolarHBondContact O-N 3.09Å |
| 42 | E | 89 | Confident | 78 | Confident | 121 Ų | 121 | 54.2 Ų | 54.2 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.6 | -178.9 | -67.3 | -174.3 | 168.1 | 0 | 0 | 110.1 | V40 I629 M630 | V40-E42 HydrophobicContact CG1-CG 4.21Å; E42-I629 HydrophobicContact CB-CG2 3.81Å; E42-I629 HydrophobicContact CG-CG2 4.17Å; E42-M630 WeakPolarHBondContact CA-O 3.41Å |
| 43 | F | 90.4 | Very high | 79.4 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 157 | 172.2 | 53.8 | -98.7 | 0 | 0 | 0 | 111.1 | V45 T141 V147 M630 V632 | F43-V45 HydrophobicContact CD2-CG1 3.69Å; F43-V45 HydrophobicContact CE2-CG1 3.52Å; F43-T141 WeakPolarHBondContact CD2-OG1 3.1Å; F43-T141 HydrophobicContact CE2-CG2 4.31Å; F43-V147 HydrophobicContact CB-CG2 3.81Å; F43-V147 HydrophobicContact CD1-CG2 3.66Å; F43-V147 HydrophobicContact CD2-CG2 3.76Å; F43-V147 HydrophobicContact CE1-CG2 4.09Å; F43-V147 HydrophobicContact CE2-CG2 4.2Å; F43-V147 HydrophobicContact CG-CG2 3.47Å; F43-V147 VanDerWaalsContact CG-CG2 3.47Å; F43-V147 HydrophobicContact CZ-CG2 4.36Å; F43-M630 HydrophobicContact CD2-CB 4.41Å; F43-M630 HydrophobicContact CE2-CB 4.13Å; F43-M630 HydrophobicContact CE2-CG 4.35Å; F43-M630 HydrophobicContact CE2-SD 3.89Å; F43-M630 HydrophobicContact CZ-CG 4.36Å; F43-M630 HydrophobicContact CZ-SD 3.91Å; F43-M630 PolarHBondContact N-O 3.49Å; F43-M630 VanDerWaalsContact N-O 3.14Å; F43-M630 PolarHBondContact O-N 3.47Å; F43-V632 HydrophobicContact CD1-CG2 4.3Å; F43-V632 HydrophobicContact CE1-CG2 3.39Å; F43-V632 HydrophobicContact CZ-CG2 3.86Å |
| 44 | T | 90.9 | Very high | 81.1 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 134.1 | 178.9 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | Y46 T141 P627 | T44-Y46 HydrophobicContact CG2-CE1 4.15Å; T44-Y46 HydrophobicContact CG2-CE2 4.21Å; T44-T141 PolarHBondContact O-OG1 3.47Å; T44-P627 HydrophobicContact CG2-CB 3.78Å |
| 45 | V | 92.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 147.2 | 172.8 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | F43 Y139 F140 C628 M630 | F43-V45 HydrophobicContact CD2-CG1 3.69Å; F43-V45 HydrophobicContact CE2-CG1 3.52Å; V45-Y139 HydrophobicContact CB-CD1 3.82Å; V45-Y139 HydrophobicContact CB-CG 4.37Å; V45-Y139 HydrophobicContact CG2-CD1 3.54Å; V45-Y139 HydrophobicContact CG2-CE1 3.92Å; V45-Y139 HydrophobicContact CG2-CG 4.31Å; V45-F140 CarbonylContact C-O 3.5Å; V45-F140 VanDerWaalsContact CA-O 3.31Å; V45-F140 WeakPolarHBondContact CA-O 3.42Å; V45-C628 WeakPolarHBondContact CG2-O 3.24Å; V45-C628 WeakPolarHBondContact CG2-SG 3.46Å; V45-C628 PolarHBondContact N-O 3.36Å; V45-C628 PolarHBondContact O-N 2.96Å; V45-M630 HydrophobicContact CB-CB 4.47Å; V45-M630 HydrophobicContact CG1-CB 3.63Å; V45-M630 HydrophobicContact CG1-CE 4.03Å; V45-M630 HydrophobicContact CG1-CG 4.45Å; V45-M630 HydrophobicContact CG1-SD 4.01Å; V45-M630 HydrophobicContact CG2-CB 3.96Å; V45-M630 HydrophobicContact CG2-CE 4.25Å |
| 46 | Y | 93.3 | Very high | 84.6 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120 | -178.1 | -53.6 | -86.9 | 0 | 0 | 0 | 108 | T44 Y139 F140 L142 I224 S226 L227 P627 | T44-Y46 HydrophobicContact CG2-CE1 4.15Å; T44-Y46 HydrophobicContact CG2-CE2 4.21Å; Y46-Y139 CarbonylContact O-C 3.56Å; Y46-Y139 WeakPolarHBondContact O-CA 3.34Å; Y46-F140 WeakPolarHBondContact CD2-O 3.38Å; Y46-F140 PolarHBondContact N-O 2.91Å; Y46-F140 PolarHBondContact O-N 2.94Å; Y46-L142 HydrophobicContact CE2-CD1 4.25Å; Y46-L142 HydrophobicContact CE2-CG 4.08Å; Y46-I224 VanDerWaalsContact CB-CG2 3.45Å; Y46-I224 HydrophobicContact CG-CG2 4.27Å; Y46-S226 WeakPolarHBondContact CD1-OG 3.47Å; Y46-L227 HydrophobicContact CD1-CD1 4.42Å; Y46-L227 HydrophobicContact CD1-CD2 4.28Å; Y46-L227 HydrophobicContact CD1-CG 4.18Å; Y46-L227 HydrophobicContact CD2-CD1 4.37Å; Y46-L227 HydrophobicContact CE1-CD2 3.98Å; Y46-L227 HydrophobicContact CE1-CG 4.38Å; Y46-L227 HydrophobicContact CG-CD1 4.26Å; Y46-L227 HydrophobicContact CG-CG 4.48Å; Y46-P627 HydrophobicContact CD1-CB 3.93Å; Y46-P627 HydrophobicContact CD1-CG 3.9Å; Y46-P627 HydrophobicContact CE1-CB 3.87Å; Y46-P627 HydrophobicContact CE1-CG 3.81Å |
| 47 | R | 93.4 | Very high | 86.4 | Confident | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 140.7 | -178.5 | -166.6 | 175.1 | 166.2 | -136.8 | -12.5 | 110.7 | S60 Y139 S623 D624 | R47-S60 PolarHBondContact NH2-O 2.99Å; R47-S60 VanDerWaalsContact NH2-O 3.17Å; R47-Y139 HydrophobicContact CB-CD1 4.03Å; R47-Y139 HydrophobicContact CB-CE1 3.59Å; R47-Y139 HydrophobicContact CG-CD1 4.43Å; R47-Y139 HydrophobicContact CG-CE1 3.87Å; R47-S623 PolarHBondContact NH1-O 3.4Å; R47-D624 WeakPolarHBondContact CD-O 3.34Å; R47-D624 PolarHBondContact NH1-O 2.79Å; R47-D624 VanDerWaalsContact NH1-O 3.11Å |
| 48 | A | 94.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 152 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | I138 F140 A223 | A48-I138 HydrophobicContact CB-CB 3.81Å; A48-I138 HydrophobicContact CB-CG2 3.98Å; A48-I138 VanDerWaalsContact CB-O 3.26Å; A48-I138 WeakPolarHBondContact CB-O 3.38Å; A48-I138 PolarHBondContact N-O 2.97Å; A48-F140 HydrophobicContact CB-CE2 3.98Å; A48-A223 CarbonylContact C-O 3.58Å; A48-A223 WeakPolarHBondContact CA-O 3.5Å |
| 49 | Q | 93.2 | Very high | 89.9 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 146.6 | -175.8 | -174.8 | 65.5 | -39.2 | 0 | 0 | 112.3 | Y51 G59 S60 L130 S222 A223 P225 Q507 | Q49-Y51 HydrophobicContact CG-CD1 3.64Å; Q49-Y51 HydrophobicContact CG-CE1 3.81Å; Q49-G59 CarbonylContact O-C 3.46Å; Q49-G59 VanDerWaalsContact O-CA 3.25Å; Q49-G59 WeakPolarHBondContact O-CA 3.5Å; Q49-S60 PolarHBondContact O-N 3.42Å; Q49-L130 HydrophobicContact CB-CD2 4.18Å; Q49-L130 HydrophobicContact CG-CD2 4.05Å; Q49-S222 WeakPolarHBondContact CB-O 3.42Å; Q49-A223 WeakPolarHBondContact CB-O 3.25Å; Q49-A223 PolarHBondContact N-O 3.48Å; Q49-P225 VanDerWaalsContact OE1-CB 3.25Å; Q49-Q507 VanDerWaalsContact CD-NE2 3.27Å; Q49-Q507 VanDerWaalsContact NE2-NE2 3.13Å |
| 50 | Q | 93.6 | Very high | 91 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 121.3 | 172.2 | -174.4 | -171.7 | 0.1 | 0 | 0 | 109.9 | Y622 | Q50-Y622 HydrophobicContact CB-CD2 4.47Å; Q50-Y622 VanDerWaalsContact CD-CG 3.45Å; Q50-Y622 HydrophobicContact CG-CD1 4.43Å; Q50-Y622 HydrophobicContact CG-CD2 3.71Å; Q50-Y622 HydrophobicContact CG-CE2 4.24Å; Q50-Y622 HydrophobicContact CG-CG 3.83Å |
| 51 | Y | 93 | Very high | 91.5 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 161.9 | 172.9 | 65.9 | -75.4 | 0 | 0 | 0 | 110.3 | Q49 F53 V58 L130 I221 F273 V620 | Q49-Y51 HydrophobicContact CG-CD1 3.64Å; Q49-Y51 HydrophobicContact CG-CE1 3.81Å; Y51-F53 HydrophobicContact CD2-CB 3.93Å; Y51-F53 HydrophobicContact CE2-CB 3.74Å; Y51-V58 HydrophobicContact CD1-CB 4.26Å; Y51-V58 HydrophobicContact CD1-CG1 4.36Å; Y51-V58 HydrophobicContact CE1-CB 3.87Å; Y51-V58 HydrophobicContact CE1-CG1 3.6Å; Y51-V58 HydrophobicContact CE2-CB 4.29Å; Y51-V58 HydrophobicContact CE2-CG2 4.36Å; Y51-V58 PolarHBondContact N-O 3.03Å; Y51-V58 PolarHBondContact O-N 3.26Å; Y51-L130 HydrophobicContact CE1-CD2 4.23Å; Y51-I221 HydrophobicContact CE1-CD1 4.28Å; Y51-F273 AromaticContact CD2-CE1 3.69Å; Y51-F273 HydrophobicContact CD2-CE1 3.69Å; Y51-F273 AromaticContact CE2-CE1 3.84Å; Y51-F273 HydrophobicContact CE2-CE1 3.84Å; Y51-F273 HydrophobicContact CG-CE1 4.32Å; Y51-V620 CarbonylContact C-O 3.41Å; Y51-V620 VanDerWaalsContact CA-O 3.31Å; Y51-V620 WeakPolarHBondContact CA-O 3.39Å |
| 52 | D | 92.7 | Very high | 91.8 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133 | 167.8 | -45.7 | -31.2 | 0 | 0 | 0 | 108.1 | V56 R57 R61 V619 V620 Y622 | D52-V56 CarbonylContact C-O 3.6Å; D52-V56 VanDerWaalsContact CA-O 3.27Å; D52-V56 WeakPolarHBondContact CA-O 3.48Å; D52-R57 WeakPolarHBondContact OD1-CG 3.38Å; D52-R61 IonicContact OD1-CZ 3.62Å; D52-R61 IonicContact OD1-NH1 3.68Å; D52-R61 PolarHBondContact OD1-NH1 2.81Å; D52-R61 IonicContact OD1-NH2 3.79Å; D52-R61 IonicContact OD2-NH2 3.39Å; D52-V619 WeakPolarHBondContact O-CA 3.29Å; D52-V620 HydrophobicContact CB-CB 4.05Å; D52-V620 PolarHBondContact N-O 3.43Å; D52-V620 PolarHBondContact O-N 3.48Å; D52-Y622 WeakPolarHBondContact OD2-CE2 3.49Å; D52-Y622 PolarHBondContact OD2-OH 3.47Å |
| 53 | F | 90.8 | Very high | 91.8 | Very high | 29 Ų | 29 | 32 Ų | 32 | 13% | 0.127 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.7 | -179.9 | 178.3 | -103.8 | 0 | 0 | 0 | 109.2 | Y51 G55 V56 F273 N274 I381 I617 V619 | Y51-F53 HydrophobicContact CD2-CB 3.93Å; Y51-F53 HydrophobicContact CE2-CB 3.74Å; F53-G55 PolarHBondContact O-N 3.28Å; F53-V56 PolarHBondContact N-O 3.41Å; F53-V56 WeakPolarHBondContact O-CB 3.48Å; F53-V56 PolarHBondContact O-N 2.84Å; F53-F273 HydrophobicContact CD2-CB 4.36Å; F53-F273 AromaticContact CD2-CD1 3.86Å; F53-F273 HydrophobicContact CD2-CD1 3.86Å; F53-F273 HydrophobicContact CE2-CB 4.06Å; F53-F273 HydrophobicContact CE2-CD1 4.35Å; F53-N274 HydrophobicContact CE2-CB 4.35Å; F53-N274 HydrophobicContact CZ-CB 3.89Å; F53-I381 HydrophobicContact CE1-CD1 4.26Å; F53-I381 HydrophobicContact CE1-CG1 4.23Å; F53-I617 HydrophobicContact CE2-CG2 3.86Å; F53-V619 HydrophobicContact CD2-CG2 3.98Å; F53-V619 HydrophobicContact CE2-CG2 4.32Å |
| 54 | Q | 87.2 | Confident | 91.7 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 24% | 0.238 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40.1 | -177.1 | -59.4 | -176.4 | -58.7 | 0 | 0 | 112.8 | V56 D618 | Q54-V56 PolarHBondContact O-N 3.41Å; Q54-D618 PolarHBondContact N-O 3.04Å |
| 55 | G | 86.4 | Confident | 91.7 | Very high | 63 Ų | 63 | 31.9 Ų | 31.9 | 65% | 0.649 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -8.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F53 | F53-G55 PolarHBondContact O-N 3.28Š|
| 56 | V | 90.5 | Very high | 91.5 | Very high | 89 Ų | 89 | 36.5 Ų | 36.5 | 54% | 0.539 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 123.7 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | D52 F53 Q54 V58 | D52-V56 CarbonylContact C-O 3.6Å; D52-V56 VanDerWaalsContact CA-O 3.27Å; D52-V56 WeakPolarHBondContact CA-O 3.48Å; F53-V56 PolarHBondContact N-O 3.41Å; F53-V56 WeakPolarHBondContact O-CB 3.48Å; F53-V56 PolarHBondContact O-N 2.84Å; Q54-V56 PolarHBondContact O-N 3.41Å; V56-V58 HydrophobicContact CG1-CG2 4.36Å |
| 57 | R | 92.9 | Very high | 91.3 | Very high | 136 Ų | 136 | 35.2 Ų | 35.2 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.5 | 177.9 | -60.3 | -178.9 | 178.5 | 170 | 1.8 | 109.8 | D52 E133 | D52-R57 WeakPolarHBondContact OD1-CG 3.38Å; R57-E133 HydrophobicContact CB-CG 4.16Å; R57-E133 VanDerWaalsContact CD-OE1 3.23Å; R57-E133 WeakPolarHBondContact CD-OE1 3.19Å |
| 58 | V | 92.4 | Very high | 91.1 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.6 | -176.5 | 178.9 | 0 | 0 | 0 | 0 | 111 | Y51 V56 L130 | Y51-V58 HydrophobicContact CD1-CB 4.26Å; Y51-V58 HydrophobicContact CD1-CG1 4.36Å; Y51-V58 HydrophobicContact CE1-CB 3.87Å; Y51-V58 HydrophobicContact CE1-CG1 3.6Å; Y51-V58 HydrophobicContact CE2-CB 4.29Å; Y51-V58 HydrophobicContact CE2-CG2 4.36Å; Y51-V58 PolarHBondContact N-O 3.03Å; Y51-V58 PolarHBondContact O-N 3.26Å; V56-V58 HydrophobicContact CG1-CG2 4.36Å; V58-L130 VanDerWaalsContact CG1-C 3.43Å; V58-L130 WeakPolarHBondContact CG1-O 3.06Å |
| 59 | G | 92.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.3 | -159.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q49 R61 D132 F134 | Q49-G59 CarbonylContact O-C 3.46Å; Q49-G59 VanDerWaalsContact O-CA 3.25Å; Q49-G59 WeakPolarHBondContact O-CA 3.5Å; G59-R61 PolarHBondContact O-N 2.88Å; G59-D132 PolarHBondContact N-O 2.99Å; G59-F134 PolarHBondContact O-N 2.86Å |
| 60 | S | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 109.7 | -169 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | R47 Q49 L62 I136 P137 I138 | R47-S60 PolarHBondContact NH2-O 2.99Å; R47-S60 VanDerWaalsContact NH2-O 3.17Å; Q49-S60 PolarHBondContact O-N 3.42Å; S60-L62 PolarHBondContact OG-O 3.37Å; S60-I136 PolarHBondContact OG-O 3.28Å; S60-P137 WeakPolarHBondContact OG-CA 3.36Å; S60-I138 PolarHBondContact OG-N 2.74Å |
| 61 | R | 92.1 | Very high | 90.6 | Very high | 28 Ų | 28 | 40 Ų | 40 | 11% | 0.106 | 22% | 0.221 | C | C | . | . | trans | -80.3 | -19.9 | -172.3 | -55.3 | -53 | -61.9 | -174.8 | -7.8 | 115.1 | D52 G59 E133 F134 Y622 | D52-R61 IonicContact OD1-CZ 3.62Å; D52-R61 IonicContact OD1-NH1 3.68Å; D52-R61 PolarHBondContact OD1-NH1 2.81Å; D52-R61 IonicContact OD1-NH2 3.79Å; D52-R61 IonicContact OD2-NH2 3.39Å; G59-R61 PolarHBondContact O-N 2.88Å; R61-E133 HydrophobicContact CG-CG 3.7Å; R61-E133 WeakPolarHBondContact CG-OE1 3.36Å; R61-E133 IonicContact NE-OE1 3.99Å; R61-F134 PolarHBondContact N-O 3.48Å; R61-Y622 PolarHBondContact NH2-OH 3.29Å | ||
| 62 | L | 91.3 | Very high | 90.1 | Very high | 80 Ų | 80 | 42.3 Ų | 42.3 | 42% | 0.419 | 23% | 0.233 | S | C | . | . | trans | -110.4 | 160.1 | 179.2 | -59.9 | 178.9 | 0 | 0 | 0 | 110.6 | S60 Q135 P137 | S60-L62 PolarHBondContact OG-O 3.37Å; L62-Q135 WeakPolarHBondContact CD1-O 3.18Å; L62-P137 HydrophobicContact CB-CB 4.23Å; L62-P137 HydrophobicContact CB-CG 4.38Å; L62-P137 WeakPolarHBondContact O-CA 3.19Å | ||
| 63 | S | 90 | Very high | 89.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | trans | -129.1 | -33 | 177.9 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | I65 Y139 T183 L186 P188 | S63-I65 PolarHBondContact O-N 2.84Å; S63-Y139 VanDerWaalsContact O-CE2 3.28Å; S63-Y139 WeakPolarHBondContact O-CE2 3.25Å; S63-Y139 PolarHBondContact O-OH 3.16Å; S63-T183 PolarHBondContact O-OG1 3.16Å; S63-L186 PolarHBondContact OG-O 3.15Å; S63-P188 VanDerWaalsContact OG-CD 3.31Å; S63-P188 WeakPolarHBondContact OG-CD 3.26Å | ||
| 64 | S | 88.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 49.6 Ų | 49.6 | 54% | 0.538 | 28% | 0.275 | S | S | . | . | trans | -74.3 | 121.1 | -174.3 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 65 | I | 89.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | -112.3 | 121.9 | 167.8 | -65.4 | -179.4 | 0 | 0 | 0 | 107.9 | S63 C81 I106 P137 Y139 L181 L182 T183 M630 | S63-I65 PolarHBondContact O-N 2.84Å; I65-C81 HydrophobicContact CG2-CB 4.38Å; I65-I106 HydrophobicContact CD1-CG1 4.34Å; I65-P137 HydrophobicContact CD1-CB 4.2Å; I65-P137 HydrophobicContact CD1-CG 4.19Å; I65-P137 HydrophobicContact CG1-CB 3.88Å; I65-P137 HydrophobicContact CG1-CG 3.61Å; I65-Y139 HydrophobicContact CD1-CD2 3.47Å; I65-Y139 VanDerWaalsContact CD1-CD2 3.47Å; I65-Y139 HydrophobicContact CD1-CE2 3.8Å; I65-Y139 HydrophobicContact CD1-CG 4.49Å; I65-Y139 HydrophobicContact CG1-CD2 4.35Å; I65-Y139 HydrophobicContact CG1-CE2 4.2Å; I65-L181 HydrophobicContact CG2-CB 3.88Å; I65-L182 WeakPolarHBondContact O-CA 3.4Å; I65-T183 HydrophobicContact CB-CG2 3.89Å; I65-T183 HydrophobicContact CD1-CG2 4.49Å; I65-T183 HydrophobicContact CG1-CG2 4.41Å; I65-T183 PolarHBondContact N-OG1 2.79Å; I65-T183 PolarHBondContact O-N 2.9Å; I65-T183 VanDerWaalsContact O-N 3.08Å; I65-T183 PolarHBondContact O-OG1 2.84Å; I65-M630 HydrophobicContact CD1-CE 4.01Å | ||
| 66 | N | 90.4 | Very high | 87.1 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 77.5 | 173.2 | -175.7 | -0.4 | 0 | 0 | 0 | 110.1 | R180 L181 L182 | N66-R180 PolarHBondContact OD1-NE 3.32Å; N66-R180 PolarHBondContact OD1-NH2 2.83Å; N66-L181 WeakPolarHBondContact CA-O 3.39Å; N66-L182 HydrophobicContact CB-CD2 3.97Å; N66-L182 WeakPolarHBondContact OD1-CD2 3.12Å |
| 67 | C | 88.5 | Confident | 86.3 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 169.8 | -169.4 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | R79 C81 A103 R180 L181 | C67-R79 WeakPolarHBondContact CB-O 3.45Å; C67-C81 WeakPolarHBondContact SG-CB 3.45Å; C67-A103 HydrophobicContact CB-CB 3.77Å; C67-A103 WeakPolarHBondContact SG-CB 3.39Å; C67-R180 CarbonylContact O-C 3.57Å; C67-R180 WeakPolarHBondContact O-CA 3.39Å; C67-L181 PolarHBondContact N-O 3.37Å; C67-L181 PolarHBondContact O-N 2.96Å |
| 68 | E | 89 | Confident | 85.6 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 144.4 | 175.8 | -65.5 | -177.6 | 179.7 | 0 | 0 | 111.4 | N80 C81 Y179 | E68-N80 CarbonylContact O-C 3.44Å; E68-N80 WeakPolarHBondContact O-CA 3.38Å; E68-N80 WeakPolarHBondContact O-CB 3.41Å; E68-C81 PolarHBondContact O-N 3.25Å; E68-Y179 CarbonylContact C-O 3.37Å; E68-Y179 VanDerWaalsContact CA-O 3.28Å; E68-Y179 WeakPolarHBondContact CA-O 3.26Å |
| 69 | A | 90.5 | Very high | 85.2 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 12% | 0.116 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 143 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C81 L83 V154 Y179 L181 | A69-C81 CarbonylContact C-O 3.47Å; A69-C81 WeakPolarHBondContact CA-O 3.29Å; A69-L83 HydrophobicContact CB-CD1 4.03Å; A69-L83 HydrophobicContact CB-CG 4.32Å; A69-V154 HydrophobicContact CB-CG1 3.94Å; A69-V154 HydrophobicContact CB-CG2 3.91Å; A69-Y179 PolarHBondContact N-O 3.43Å; A69-L181 HydrophobicContact CB-CD1 3.83Å; A69-L181 HydrophobicContact CB-CD2 4.35Å; A69-L181 HydrophobicContact CB-CG 4Å |
| 70 | Q | 89.7 | Confident | 85 | Confident | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 153.7 | 167.6 | 70 | -173.3 | -6.5 | 0 | 0 | 109.6 | V77 N80 C81 L82 L83 | Q70-V77 PolarHBondContact NE2-O 3.49Å; Q70-V77 VanDerWaalsContact OE1-N 3.15Å; Q70-N80 HydrophobicContact CB-CB 4.18Å; Q70-N80 HydrophobicContact CG-CB 3.79Å; Q70-N80 PolarHBondContact OE1-ND2 2.84Å; Q70-C81 PolarHBondContact N-O 2.83Å; Q70-L82 HydrophobicContact CG-CD1 4.03Å; Q70-L82 CarbonylContact O-C 3.3Å; Q70-L82 WeakPolarHBondContact O-CA 3.35Å; Q70-L83 PolarHBondContact O-N 2.9Å |
| 71 | T | 89.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 171.4 | 169.7 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | S73 L83 F151 V154 S155 T158 | T71-S73 PolarHBondContact O-N 3.17Å; T71-L83 HydrophobicContact CG2-CB 4.28Å; T71-F151 HydrophobicContact CG2-CD2 3.96Å; T71-F151 HydrophobicContact CG2-CE2 3.71Å; T71-F151 HydrophobicContact CG2-CZ 4.21Å; T71-V154 HydrophobicContact CG2-CB 4.29Å; T71-V154 HydrophobicContact CG2-CG1 3.99Å; T71-S155 WeakPolarHBondContact OG1-CA 3.39Å; T71-T158 PolarHBondContact N-OG1 3.36Å; T71-T158 VanDerWaalsContact N-OG1 3.17Å; T71-T158 WeakPolarHBondContact OG1-CB 3.41Å; T71-T158 PolarHBondContact OG1-OG1 2.68Å |
| 72 | Q | 82.8 | Confident | 85 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -57.9 | 124.8 | 174.5 | -168.4 | 64.6 | 19.9 | 0 | 0 | 110.8 | L84 | Q72-L84 HydrophobicContact CB-CD2 4.02Š|
| 73 | S | 79.2 | Confident | 85.2 | Confident | 23 Ų | 23 | 52 Ų | 52 | 16% | 0.161 | 27% | 0.27 | C | S | . | . | trans | -150.6 | 174 | 174.2 | 76.4 | 0 | 0 | 0 | 0 | 110.3 | T71 K75 T158 | T71-S73 PolarHBondContact O-N 3.17Å; S73-K75 PolarHBondContact O-N 3.25Å; S73-K75 VanDerWaalsContact O-N 3.1Å; S73-K75 PolarHBondContact OG-O 3.32Å; S73-T158 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 74 | N | 68.8 | Low | 85.4 | Confident | 177 Ų | 177 | 52 Ų | 52 | 95% | 0.947 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -63 | -16.7 | -178.4 | -68.8 | 0.1 | 0 | 0 | 0 | 114.3 | ||
| 75 | K | 73.4 | Confident | 85.7 | Confident | 151 Ų | 151 | 53.9 Ų | 53.9 | 66% | 0.657 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -128.7 | 101.6 | 179.5 | -172.5 | 178.9 | -179.3 | -179.3 | 0 | 109.7 | S73 V77 | S73-K75 PolarHBondContact O-N 3.25Å; S73-K75 VanDerWaalsContact O-N 3.1Å; S73-K75 PolarHBondContact OG-O 3.32Å; K75-V77 PolarHBondContact O-N 3.28Å |
| 76 | I | 72.8 | Confident | 85.9 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -73 | 120.4 | 171 | -59.5 | -179.5 | 0 | 0 | 0 | 108.1 | D96 H100 V102 | I76-D96 WeakPolarHBondContact CD1-OD2 3.33Å; I76-H100 HydrophobicContact CB-CB 4.4Å; I76-H100 HydrophobicContact CG2-CB 3.95Å; I76-V102 HydrophobicContact CG2-CG2 3.32Å |
| 77 | V | 73 | Confident | 86 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 124.3 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | Q70 K75 | Q70-V77 PolarHBondContact NE2-O 3.49Å; Q70-V77 VanDerWaalsContact OE1-N 3.15Å; K75-V77 PolarHBondContact O-N 3.28Å |
| 78 | G | 78.9 | Confident | 86.1 | Confident | 31 Ų | 31 | 55 Ų | 55 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 151.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N80 H100 | G78-N80 PolarHBondContact O-N 2.87Å; G78-H100 VanDerWaalsContact CA-O 3.26Å; G78-H100 WeakPolarHBondContact CA-O 3.31Å |
| 79 | R | 84.2 | Confident | 86.3 | Confident | 206 Ų | 206 | 50.1 Ų | 50.1 | 78% | 0.777 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | -2.6 | -173.6 | -52.7 | -178.5 | 175.8 | 173.3 | -1.2 | 117.3 | C67 K101 A103 | C67-R79 WeakPolarHBondContact CB-O 3.45Å; R79-K101 PolarHBondContact N-O 3.15Å; R79-A103 VanDerWaalsContact O-CB 3.31Å; R79-A103 WeakPolarHBondContact O-CB 3.29Å |
| 80 | N | 89.3 | Confident | 86.3 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -87.8 | 158.8 | 168.9 | -70.1 | -0.6 | 0 | 0 | 0 | 110.3 | E68 Q70 G78 V102 A103 | E68-N80 CarbonylContact O-C 3.44Å; E68-N80 WeakPolarHBondContact O-CA 3.38Å; E68-N80 WeakPolarHBondContact O-CB 3.41Å; Q70-N80 HydrophobicContact CB-CB 4.18Å; Q70-N80 HydrophobicContact CG-CB 3.79Å; Q70-N80 PolarHBondContact OE1-ND2 2.84Å; G78-N80 PolarHBondContact O-N 2.87Å; N80-V102 WeakPolarHBondContact O-CG1 3.37Å; N80-A103 PolarHBondContact O-N 3.27Å |
| 81 | C | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.6 | 169.3 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | I65 C67 E68 A69 Q70 G104 I106 L181 | I65-C81 HydrophobicContact CG2-CB 4.38Å; C67-C81 WeakPolarHBondContact SG-CB 3.45Å; E68-C81 PolarHBondContact O-N 3.25Å; A69-C81 CarbonylContact C-O 3.47Å; A69-C81 WeakPolarHBondContact CA-O 3.29Å; Q70-C81 PolarHBondContact N-O 2.83Å; C81-G104 CarbonylContact C-O 3.43Å; C81-G104 VanDerWaalsContact CA-O 3.26Å; C81-G104 WeakPolarHBondContact CA-O 3.48Å; C81-G104 VanDerWaalsContact SG-C 3.59Å; C81-G104 PolarHBondContact SG-O 2.8Å; C81-I106 VanDerWaalsContact SG-CD1 3.52Å; C81-L181 HydrophobicContact CB-CD1 3.67Å |
| 82 | L | 93.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.1 | -179.4 | -171.7 | 63.8 | 0 | 0 | 0 | 110.7 | Q70 L84 I93 A97 V102 G104 I105 I106 | Q70-L82 HydrophobicContact CG-CD1 4.03Å; Q70-L82 CarbonylContact O-C 3.3Å; Q70-L82 WeakPolarHBondContact O-CA 3.35Å; L82-L84 HydrophobicContact CD1-CD2 4.19Å; L82-L84 HydrophobicContact CD2-CD1 3.9Å; L82-L84 HydrophobicContact CD2-CD2 3.81Å; L82-L84 HydrophobicContact CD2-CG 3.93Å; L82-L84 HydrophobicContact CG-CD1 4.32Å; L82-L84 HydrophobicContact CG-CD2 3.73Å; L82-L84 HydrophobicContact CG-CG 3.82Å; L82-I93 HydrophobicContact CD2-CG2 4.17Å; L82-A97 HydrophobicContact CD2-CB 4.29Å; L82-V102 HydrophobicContact CB-CG1 4.03Å; L82-G104 PolarHBondContact N-O 2.76Å; L82-I105 HydrophobicContact CB-CG1 4.37Å; L82-I105 WeakPolarHBondContact O-CA 3.39Å; L82-I106 PolarHBondContact O-N 3.46Å |
| 83 | L | 94.2 | Very high | 86.5 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 116.2 | 169.8 | -61.6 | -179.4 | 0 | 0 | 0 | 109 | A69 Q70 T71 I106 V150 F151 V154 L181 | A69-L83 HydrophobicContact CB-CD1 4.03Å; A69-L83 HydrophobicContact CB-CG 4.32Å; Q70-L83 PolarHBondContact O-N 2.9Å; T71-L83 HydrophobicContact CG2-CB 4.28Å; L83-I106 HydrophobicContact CD2-CB 3.81Å; L83-I106 HydrophobicContact CD2-CD1 3.71Å; L83-I106 HydrophobicContact CD2-CG1 4.37Å; L83-I106 HydrophobicContact CD2-CG2 4.22Å; L83-V150 HydrophobicContact CD1-CG1 4.28Å; L83-F151 HydrophobicContact CB-CD2 4.09Å; L83-F151 HydrophobicContact CB-CE2 4.37Å; L83-V154 HydrophobicContact CD1-CB 4.23Å; L83-V154 HydrophobicContact CD1-CG1 4.24Å; L83-V154 HydrophobicContact CD1-CG2 4.2Å; L83-L181 HydrophobicContact CD2-CD1 4.08Å |
| 84 | L | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.8 | 178.9 | -63.7 | 178.5 | 0 | 0 | 0 | 110.4 | Q72 L82 V89 I93 I105 I106 I107 I108 | Q72-L84 HydrophobicContact CB-CD2 4.02Å; L82-L84 HydrophobicContact CD1-CD2 4.19Å; L82-L84 HydrophobicContact CD2-CD1 3.9Å; L82-L84 HydrophobicContact CD2-CD2 3.81Å; L82-L84 HydrophobicContact CD2-CG 3.93Å; L82-L84 HydrophobicContact CG-CD1 4.32Å; L82-L84 HydrophobicContact CG-CD2 3.73Å; L82-L84 HydrophobicContact CG-CG 3.82Å; L84-V89 HydrophobicContact CB-CG2 3.79Å; L84-V89 HydrophobicContact CD1-CG2 4.04Å; L84-I93 HydrophobicContact CD1-CG2 3.81Å; L84-I93 HydrophobicContact CD2-CG2 4.41Å; L84-I105 HydrophobicContact CD1-CG2 3.98Å; L84-I105 HydrophobicContact CG-CG2 4.46Å; L84-I106 PolarHBondContact N-O 3.41Å; L84-I107 CarbonylContact O-C 3.02Å; L84-I107 WeakPolarHBondContact O-CA 3.42Å; L84-I108 PolarHBondContact O-N 3.18Å |
| 85 | R | 95.2 | Very high | 88.1 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 45% | 0.445 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 145.5 | 162.1 | -67.8 | -177.5 | -67.9 | -171.4 | -1 | 108.6 | A87 E88 V89 F151 | R85-A87 PolarHBondContact O-N 3.22Å; R85-A87 VanDerWaalsContact O-N 3.08Å; R85-E88 IonicContact CZ-OE1 3.49Å; R85-E88 VanDerWaalsContact CZ-OE1 3.23Å; R85-E88 IonicContact NE-OE1 2.72Å; R85-E88 PolarHBondContact NE-OE1 3.23Å; R85-E88 IonicContact NH2-OE1 3.55Å; R85-E88 PolarHBondContact NH2-OE1 3.08Å; R85-E88 WeakPolarHBondContact O-CB 3.49Å; R85-E88 PolarHBondContact O-N 3.32Å; R85-V89 PolarHBondContact O-N 3.49Å; R85-F151 HydrophobicContact CG-CE1 4.1Å; R85-F151 HydrophobicContact CG-CE2 3.99Å; R85-F151 HydrophobicContact CG-CZ 3.69Å |
| 86 | L | 93.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -49.5 | -41 | -179.7 | 176.3 | 58.6 | 0 | 0 | 0 | 113.5 | E88 V89 I107 I108 L109 W114 L118 H121 F122 | L86-E88 PolarHBondContact O-N 3.29Å; L86-E88 VanDerWaalsContact O-N 3.15Å; L86-V89 PolarHBondContact O-N 3.12Å; L86-V89 VanDerWaalsContact O-N 3.1Å; L86-I107 HydrophobicContact CB-CG2 4.39Å; L86-I107 HydrophobicContact CD1-CG2 4.31Å; L86-I108 PolarHBondContact N-O 2.94Å; L86-L109 HydrophobicContact CD1-CD2 4.49Å; L86-L109 HydrophobicContact CD2-CD2 4.01Å; L86-W114 HydrophobicContact CD2-CE3 4.4Å; L86-W114 HydrophobicContact CD2-CH2 3.92Å; L86-W114 HydrophobicContact CD2-CZ2 4.42Å; L86-W114 HydrophobicContact CD2-CZ3 3.89Å; L86-L118 HydrophobicContact CD2-CD1 3.95Å; L86-L118 HydrophobicContact CD2-CD2 4.48Å; L86-L118 HydrophobicContact CD2-CG 4.18Å; L86-L118 HydrophobicContact CG-CD1 3.93Å; L86-H121 PolarHBondContact O-NE2 3.27Å; L86-H121 VanDerWaalsContact O-NE2 3.17Å; L86-F122 HydrophobicContact CD1-CD2 3.66Å; L86-F122 HydrophobicContact CD1-CE2 4.46Å; L86-F122 HydrophobicContact CD2-CB 4.15Å; L86-F122 HydrophobicContact CD2-CD2 3.77Å; L86-F122 HydrophobicContact CD2-CG 4.3Å; L86-F122 HydrophobicContact CG-CD2 4.35Å |
| 87 | A | 92.3 | Very high | 89.7 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 62% | 0.62 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -64.1 | -17.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R85 L118 | R85-A87 PolarHBondContact O-N 3.22Å; R85-A87 VanDerWaalsContact O-N 3.08Å; A87-L118 HydrophobicContact CB-CD1 4.26Å |
| 88 | E | 90.8 | Very high | 90.5 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -98 | -9.9 | 179.1 | -63.3 | 165.8 | -169.1 | 0 | 0 | 111.7 | R85 L86 T90 I93 | R85-E88 IonicContact CZ-OE1 3.49Å; R85-E88 VanDerWaalsContact CZ-OE1 3.23Å; R85-E88 IonicContact NE-OE1 2.72Å; R85-E88 PolarHBondContact NE-OE1 3.23Å; R85-E88 IonicContact NH2-OE1 3.55Å; R85-E88 PolarHBondContact NH2-OE1 3.08Å; R85-E88 WeakPolarHBondContact O-CB 3.49Å; R85-E88 PolarHBondContact O-N 3.32Å; L86-E88 PolarHBondContact O-N 3.29Å; L86-E88 VanDerWaalsContact O-N 3.15Å; E88-T90 PolarHBondContact O-N 2.87Å; E88-I93 WeakPolarHBondContact O-CD1 3.38Å |
| 89 | V | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -75.7 | 123.2 | -174.7 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | L84 R85 L86 I94 I107 H121 V125 | L84-V89 HydrophobicContact CB-CG2 3.79Å; L84-V89 HydrophobicContact CD1-CG2 4.04Å; R85-V89 PolarHBondContact O-N 3.49Å; L86-V89 PolarHBondContact O-N 3.12Å; L86-V89 VanDerWaalsContact O-N 3.1Å; V89-I94 HydrophobicContact CG1-CD1 3.9Å; V89-I94 HydrophobicContact CG1-CG1 4.44Å; V89-I107 HydrophobicContact CG1-CD1 4.05Å; V89-I107 HydrophobicContact CG2-CB 4.42Å; V89-I107 HydrophobicContact CG2-CD1 4.08Å; V89-I107 HydrophobicContact CG2-CG1 3.87Å; V89-I107 HydrophobicContact CG2-CG2 3.8Å; V89-H121 PolarHBondContact O-CE1 3.01Å; V89-H121 PolarHBondContact O-NE2 3.05Å; V89-V125 HydrophobicContact CG1-CG1 3.78Å; V89-V125 HydrophobicContact CG1-CG2 4.34Å | ||
| 90 | T | 91.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | trans | -131.3 | 156.8 | 166.8 | 61.1 | 0 | 0 | 0 | 0 | 109 | E88 D92 I93 I94 | E88-T90 PolarHBondContact O-N 2.87Å; T90-D92 PolarHBondContact O-N 2.76Å; T90-I93 PolarHBondContact O-N 3.19Å; T90-I93 VanDerWaalsContact O-N 3.15Å; T90-I93 WeakPolarHBondContact OG1-CD1 3.17Å; T90-I93 VanDerWaalsContact OG1-CG1 3.26Å; T90-I93 WeakPolarHBondContact OG1-CG1 3.35Å; T90-I93 PolarHBondContact OG1-N 3.47Å; T90-I94 PolarHBondContact O-N 3.49Å; T90-I94 VanDerWaalsContact O-N 3.09Å | ||
| 91 | V | 86.3 | Confident | 91.4 | Very high | 19 Ų | 19 | 54 Ų | 54 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.9 | -35.5 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | I94 K95 E128 | V91-I94 PolarHBondContact O-N 2.85Å; V91-K95 HydrophobicContact CG1-CD 3.87Å; V91-K95 VanDerWaalsContact CG1-CE 3.49Å; V91-K95 HydrophobicContact CG1-CG 4.3Å; V91-K95 WeakPolarHBondContact O-CB 3.45Å; V91-K95 WeakPolarHBondContact O-CG 3.41Å; V91-K95 PolarHBondContact O-N 3.04Å; V91-E128 HydrophobicContact CG2-CB 3.43Å; V91-E128 VanDerWaalsContact CG2-CB 3.43Å; V91-E128 HydrophobicContact CG2-CG 3.56Å |
| 92 | D | 89.9 | Confident | 91.4 | Very high | 124 Ų | 124 | 54.3 Ų | 54.3 | 66% | 0.663 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 176.9 | -61.2 | -37.9 | 0 | 0 | 0 | 111.8 | T90 I94 K95 D96 | T90-D92 PolarHBondContact O-N 2.76Å; D92-I94 VanDerWaalsContact C-N 3.32Å; D92-I94 PolarHBondContact O-N 3.1Å; D92-K95 PolarHBondContact O-N 3.16Å; D92-D96 VanDerWaalsContact O-CB 3.22Å; D92-D96 WeakPolarHBondContact O-CB 3.49Å; D92-D96 PolarHBondContact O-N 2.98Å |
| 93 | I | 91 | Very high | 91.3 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 175.7 | -71.5 | 164.8 | 0 | 0 | 0 | 111.1 | L82 L84 E88 T90 A97 | L82-I93 HydrophobicContact CD2-CG2 4.17Å; L84-I93 HydrophobicContact CD1-CG2 3.81Å; L84-I93 HydrophobicContact CD2-CG2 4.41Å; E88-I93 WeakPolarHBondContact O-CD1 3.38Å; T90-I93 PolarHBondContact O-N 3.19Å; T90-I93 VanDerWaalsContact O-N 3.15Å; T90-I93 WeakPolarHBondContact OG1-CD1 3.17Å; T90-I93 VanDerWaalsContact OG1-CG1 3.26Å; T90-I93 WeakPolarHBondContact OG1-CG1 3.35Å; T90-I93 PolarHBondContact OG1-N 3.47Å; I93-A97 VanDerWaalsContact O-CB 3.26Å; I93-A97 WeakPolarHBondContact O-CB 3.32Å; I93-A97 PolarHBondContact O-N 2.91Å |
| 94 | I | 90.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 176 | -64.5 | 164.3 | 0 | 0 | 0 | 110.4 | V89 T90 V91 D92 A97 I98 I105 L129 F134 I136 I138 | V89-I94 HydrophobicContact CG1-CD1 3.9Å; V89-I94 HydrophobicContact CG1-CG1 4.44Å; T90-I94 PolarHBondContact O-N 3.49Å; T90-I94 VanDerWaalsContact O-N 3.09Å; V91-I94 PolarHBondContact O-N 2.85Å; D92-I94 VanDerWaalsContact C-N 3.32Å; D92-I94 PolarHBondContact O-N 3.1Å; I94-A97 PolarHBondContact O-N 3.04Å; I94-I98 HydrophobicContact CG2-CD1 4.19Å; I94-I98 VanDerWaalsContact O-CG1 3.31Å; I94-I98 WeakPolarHBondContact O-CG1 3.41Å; I94-I98 PolarHBondContact O-N 2.82Å; I94-I105 HydrophobicContact CB-CD1 4.29Å; I94-I105 HydrophobicContact CG1-CD1 4.06Å; I94-I105 HydrophobicContact CG2-CD1 4.05Å; I94-L129 HydrophobicContact CD1-CD2 4.11Å; I94-F134 HydrophobicContact CB-CE1 4.49Å; I94-F134 HydrophobicContact CG2-CD1 3.49Å; I94-F134 VanDerWaalsContact CG2-CD1 3.49Å; I94-F134 HydrophobicContact CG2-CE1 3.5Å; I94-I136 HydrophobicContact CG2-CD1 4.43Å; I94-I138 HydrophobicContact CG2-CD1 4.34Å |
| 95 | K | 90.4 | Very high | 91.2 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.6 | -74.4 | 176.7 | 178.4 | 170.1 | 0 | 111.7 | V91 D92 I98 Y99 D132 | V91-K95 HydrophobicContact CG1-CD 3.87Å; V91-K95 VanDerWaalsContact CG1-CE 3.49Å; V91-K95 HydrophobicContact CG1-CG 4.3Å; V91-K95 WeakPolarHBondContact O-CB 3.45Å; V91-K95 WeakPolarHBondContact O-CG 3.41Å; V91-K95 PolarHBondContact O-N 3.04Å; D92-K95 PolarHBondContact O-N 3.16Å; K95-I98 WeakPolarHBondContact O-CB 3.49Å; K95-I98 PolarHBondContact O-N 3.05Å; K95-Y99 PolarHBondContact O-N 3.49Å; K95-D132 WeakPolarHBondContact CE-OD2 3.2Å; K95-D132 IonicContact NZ-OD2 2.7Å; K95-D132 PolarHBondContact NZ-OD2 3.44Å |
| 96 | D | 90.7 | Very high | 91.2 | Very high | 63 Ų | 63 | 50 Ų | 50 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 175.1 | -170.6 | 47.6 | 0 | 0 | 0 | 111.7 | I76 D92 I98 Y99 H100 | I76-D96 WeakPolarHBondContact CD1-OD2 3.33Å; D92-D96 VanDerWaalsContact O-CB 3.22Å; D92-D96 WeakPolarHBondContact O-CB 3.49Å; D92-D96 PolarHBondContact O-N 2.98Å; D96-I98 VanDerWaalsContact C-N 3.3Å; D96-I98 PolarHBondContact O-N 3.32Å; D96-Y99 WeakPolarHBondContact O-CB 3.33Å; D96-Y99 PolarHBondContact O-N 3.4Å; D96-H100 PolarHBondContact O-CD2 3.46Å; D96-H100 VanDerWaalsContact O-CD2 3.27Å; D96-H100 PolarHBondContact O-N 2.88Å; D96-H100 IonicContact OD1-CD2 3.7Å; D96-H100 PolarHBondContact OD1-CD2 3.33Å; D96-H100 VanDerWaalsContact OD1-CD2 3.31Å; D96-H100 IonicContact OD1-NE2 3.55Å; D96-H100 PolarHBondContact OD1-NE2 3.15Å; D96-H100 IonicContact OD2-CD2 2.79Å |
| 97 | A | 90 | Very high | 91.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L82 I93 I94 H100 K101 V102 I105 | L82-A97 HydrophobicContact CD2-CB 4.29Å; I93-A97 VanDerWaalsContact O-CB 3.26Å; I93-A97 WeakPolarHBondContact O-CB 3.32Å; I93-A97 PolarHBondContact O-N 2.91Å; I94-A97 PolarHBondContact O-N 3.04Å; A97-H100 PolarHBondContact O-N 3.26Å; A97-K101 PolarHBondContact O-N 3.49Å; A97-V102 HydrophobicContact CB-CB 4.04Å; A97-V102 HydrophobicContact CB-CG1 4.42Å; A97-V102 HydrophobicContact CB-CG2 3.83Å; A97-V102 VanDerWaalsContact O-CB 3.31Å; A97-V102 WeakPolarHBondContact O-CB 3.48Å; A97-V102 VanDerWaalsContact O-CG2 3.27Å; A97-V102 WeakPolarHBondContact O-CG2 3.21Å; A97-V102 PolarHBondContact O-N 2.94Å; A97-I105 HydrophobicContact CB-CD1 3.93Å; A97-I105 HydrophobicContact CB-CG1 4.48Å |
| 98 | I | 89.7 | Confident | 91.5 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65 | -46.4 | 174.1 | -69.5 | 168.4 | 0 | 0 | 0 | 110.7 | I94 K95 D96 H100 K101 F134 I136 | I94-I98 HydrophobicContact CG2-CD1 4.19Å; I94-I98 VanDerWaalsContact O-CG1 3.31Å; I94-I98 WeakPolarHBondContact O-CG1 3.41Å; I94-I98 PolarHBondContact O-N 2.82Å; K95-I98 WeakPolarHBondContact O-CB 3.49Å; K95-I98 PolarHBondContact O-N 3.05Å; D96-I98 VanDerWaalsContact C-N 3.3Å; D96-I98 PolarHBondContact O-N 3.32Å; I98-H100 VanDerWaalsContact C-N 3.26Å; I98-H100 PolarHBondContact O-N 3.24Å; I98-K101 PolarHBondContact O-N 3.26Å; I98-F134 HydrophobicContact CD1-CB 4.44Å; I98-F134 HydrophobicContact CD1-CD1 3.74Å; I98-I136 HydrophobicContact CD1-CD1 4.05Å; I98-I136 HydrophobicContact CD1-CG1 4.05Å; I98-I136 HydrophobicContact CG1-CD1 3.53Å; I98-I136 HydrophobicContact CG1-CG1 3.76Å; I98-I136 HydrophobicContact CG1-CG2 4.03Å |
| 99 | Y | 90.5 | Very high | 91.6 | Very high | 187 Ų | 187 | 44.2 Ų | 44.2 | 73% | 0.733 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -56.7 | -41.7 | 177.4 | -179.7 | -100.1 | 0 | 0 | 0 | 111.7 | K95 D96 K101 | K95-Y99 PolarHBondContact O-N 3.49Å; D96-Y99 WeakPolarHBondContact O-CB 3.33Å; D96-Y99 PolarHBondContact O-N 3.4Å; Y99-K101 VanDerWaalsContact C-N 3.26Å; Y99-K101 PolarHBondContact O-N 3.43Å |
| 100 | H | 90.1 | Very high | 91.5 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 37% | 0.366 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 5 | 177.4 | -73.4 | -59.8 | 0 | 0 | 0 | 115.1 | I76 G78 D96 A97 I98 V102 | I76-H100 HydrophobicContact CB-CB 4.4Å; I76-H100 HydrophobicContact CG2-CB 3.95Å; G78-H100 VanDerWaalsContact CA-O 3.26Å; G78-H100 WeakPolarHBondContact CA-O 3.31Å; D96-H100 PolarHBondContact O-CD2 3.46Å; D96-H100 VanDerWaalsContact O-CD2 3.27Å; D96-H100 PolarHBondContact O-N 2.88Å; D96-H100 IonicContact OD1-CD2 3.7Å; D96-H100 PolarHBondContact OD1-CD2 3.33Å; D96-H100 VanDerWaalsContact OD1-CD2 3.31Å; D96-H100 IonicContact OD1-NE2 3.55Å; D96-H100 PolarHBondContact OD1-NE2 3.15Å; D96-H100 IonicContact OD2-CD2 2.79Å; A97-H100 PolarHBondContact O-N 3.26Å; I98-H100 VanDerWaalsContact C-N 3.26Å; I98-H100 PolarHBondContact O-N 3.24Å; H100-V102 VanDerWaalsContact C-N 3.3Å; H100-V102 PolarHBondContact O-N 3.43Å |
| 101 | K | 90.2 | Very high | 91.1 | Very high | 171 Ų | 171 | 47 Ų | 47 | 74% | 0.743 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 44.8 | 179.3 | -55.5 | -177.9 | -179.5 | -178.5 | 0 | 112.4 | R79 A97 I98 Y99 | R79-K101 PolarHBondContact N-O 3.15Å; A97-K101 PolarHBondContact O-N 3.49Å; I98-K101 PolarHBondContact O-N 3.26Å; Y99-K101 VanDerWaalsContact C-N 3.26Å; Y99-K101 PolarHBondContact O-N 3.43Å |
| 102 | V | 91.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | trans | -60.3 | 141.7 | 168.6 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | I76 N80 L82 A97 H100 G104 | I76-V102 HydrophobicContact CG2-CG2 3.32Å; N80-V102 WeakPolarHBondContact O-CG1 3.37Å; L82-V102 HydrophobicContact CB-CG1 4.03Å; A97-V102 HydrophobicContact CB-CB 4.04Å; A97-V102 HydrophobicContact CB-CG1 4.42Å; A97-V102 HydrophobicContact CB-CG2 3.83Å; A97-V102 VanDerWaalsContact O-CB 3.31Å; A97-V102 WeakPolarHBondContact O-CB 3.48Å; A97-V102 VanDerWaalsContact O-CG2 3.27Å; A97-V102 WeakPolarHBondContact O-CG2 3.21Å; A97-V102 PolarHBondContact O-N 2.94Å; H100-V102 VanDerWaalsContact C-N 3.3Å; H100-V102 PolarHBondContact O-N 3.43Å; V102-G104 VanDerWaalsContact C-N 3.34Å; V102-G104 VanDerWaalsContact CG1-O 3.23Å; V102-G104 WeakPolarHBondContact CG1-O 3.18Å | ||
| 103 | A | 91.1 | Very high | 90.6 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -76.9 | -20.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C67 R79 N80 P137 | C67-A103 HydrophobicContact CB-CB 3.77Å; C67-A103 WeakPolarHBondContact SG-CB 3.39Å; R79-A103 VanDerWaalsContact O-CB 3.31Å; R79-A103 WeakPolarHBondContact O-CB 3.29Å; N80-A103 PolarHBondContact O-N 3.27Å; A103-P137 WeakPolarHBondContact O-CD 3.47Å; A103-P137 WeakPolarHBondContact O-CG 3.19Å |
| 104 | G | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | 166.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C81 L82 V102 P137 | C81-G104 CarbonylContact C-O 3.43Å; C81-G104 VanDerWaalsContact CA-O 3.26Å; C81-G104 WeakPolarHBondContact CA-O 3.48Å; C81-G104 VanDerWaalsContact SG-C 3.59Å; C81-G104 PolarHBondContact SG-O 2.8Å; L82-G104 PolarHBondContact N-O 2.76Å; V102-G104 VanDerWaalsContact C-N 3.34Å; V102-G104 VanDerWaalsContact CG1-O 3.23Å; V102-G104 WeakPolarHBondContact CG1-O 3.18Å; G104-P137 CarbonylContact C-O 3.29Å; G104-P137 VanDerWaalsContact CA-O 3.29Å; G104-P137 WeakPolarHBondContact CA-O 3.27Å |
| 105 | I | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.7 | 176.9 | -60.3 | 174.8 | 0 | 0 | 0 | 108.9 | L82 L84 I94 A97 I107 I136 P137 I138 Y139 | L82-I105 HydrophobicContact CB-CG1 4.37Å; L82-I105 WeakPolarHBondContact O-CA 3.39Å; L84-I105 HydrophobicContact CD1-CG2 3.98Å; L84-I105 HydrophobicContact CG-CG2 4.46Å; I94-I105 HydrophobicContact CB-CD1 4.29Å; I94-I105 HydrophobicContact CG1-CD1 4.06Å; I94-I105 HydrophobicContact CG2-CD1 4.05Å; A97-I105 HydrophobicContact CB-CD1 3.93Å; A97-I105 HydrophobicContact CB-CG1 4.48Å; I105-I107 HydrophobicContact CG2-CG1 4.02Å; I105-I136 HydrophobicContact CD1-CD1 3.39Å; I105-I136 HydrophobicContact CG1-CD1 3.82Å; I105-P137 PolarHBondContact N-O 3.49Å; I105-I138 WeakPolarHBondContact O-CA 3.34Å; I105-Y139 PolarHBondContact O-N 3.14Å |
| 106 | I | 95.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.5 | 171 | -60.9 | 156.1 | 0 | 0 | 0 | 108.3 | I65 C81 L82 L83 L84 Y139 T141 L181 M630 | I65-I106 HydrophobicContact CD1-CG1 4.34Å; C81-I106 VanDerWaalsContact SG-CD1 3.52Å; L82-I106 PolarHBondContact O-N 3.46Å; L83-I106 HydrophobicContact CD2-CB 3.81Å; L83-I106 HydrophobicContact CD2-CD1 3.71Å; L83-I106 HydrophobicContact CD2-CG1 4.37Å; L83-I106 HydrophobicContact CD2-CG2 4.22Å; L84-I106 PolarHBondContact N-O 3.41Å; I106-Y139 CarbonylContact C-O 3.53Å; I106-Y139 VanDerWaalsContact CA-O 3.31Å; I106-Y139 WeakPolarHBondContact CA-O 3.27Å; I106-T141 HydrophobicContact CG2-CG2 3.94Å; I106-L181 HydrophobicContact CD1-CD1 3.39Å; I106-M630 HydrophobicContact CD1-CE 3.5Å; I106-M630 HydrophobicContact CD1-SD 3.37Å; I106-M630 WeakPolarHBondContact CD1-SD 3.39Å; I106-M630 HydrophobicContact CG1-CE 4Å; I106-M630 HydrophobicContact CG1-SD 4.35Å |
| 107 | I | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118.1 | 179.6 | -59.8 | 170.9 | 0 | 0 | 0 | 108.8 | L84 L86 V89 I105 L109 I138 Y139 F140 T141 | L84-I107 CarbonylContact O-C 3.02Å; L84-I107 WeakPolarHBondContact O-CA 3.42Å; L86-I107 HydrophobicContact CB-CG2 4.39Å; L86-I107 HydrophobicContact CD1-CG2 4.31Å; V89-I107 HydrophobicContact CG1-CD1 4.05Å; V89-I107 HydrophobicContact CG2-CB 4.42Å; V89-I107 HydrophobicContact CG2-CD1 4.08Å; V89-I107 HydrophobicContact CG2-CG1 3.87Å; V89-I107 HydrophobicContact CG2-CG2 3.8Å; I105-I107 HydrophobicContact CG2-CG1 4.02Å; I107-L109 HydrophobicContact CG2-CD2 4.44Å; I107-I138 HydrophobicContact CD1-CG2 4.17Å; I107-Y139 PolarHBondContact N-O 3.4Å; I107-F140 HydrophobicContact CB-CD1 3.69Å; I107-F140 HydrophobicContact CB-CE1 3.86Å; I107-F140 HydrophobicContact CB-CG 4.45Å; I107-F140 HydrophobicContact CD1-CD1 4.29Å; I107-F140 HydrophobicContact CD1-CE1 3.6Å; I107-F140 HydrophobicContact CD1-CZ 3.8Å; I107-F140 HydrophobicContact CG1-CE1 4.31Å; I107-F140 HydrophobicContact CG2-CD1 3.86Å; I107-F140 HydrophobicContact CG2-CE1 3.89Å; I107-F140 CarbonylContact O-C 3.2Å; I107-F140 VanDerWaalsContact O-CA 3.3Å; I107-F140 WeakPolarHBondContact O-CA 3.49Å; I107-T141 PolarHBondContact O-N 3.16Å |
| 108 | I | 95.5 | Very high | 90.4 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 112.8 | 178 | -55.7 | 167.9 | 0 | 0 | 0 | 108.3 | L84 L86 T141 N143 V147 F151 | L84-I108 PolarHBondContact O-N 3.18Å; L86-I108 PolarHBondContact N-O 2.94Å; I108-T141 HydrophobicContact CB-CG2 4.36Å; I108-T141 HydrophobicContact CG1-CG2 3.88Å; I108-T141 HydrophobicContact CG2-CG2 4.48Å; I108-N143 HydrophobicContact CG2-CB 3.98Å; I108-V147 HydrophobicContact CD1-CG1 3.78Å; I108-V147 HydrophobicContact CG1-CG1 3.87Å; I108-V147 HydrophobicContact CG2-CG1 3.86Å; I108-F151 HydrophobicContact CD1-CB 4.03Å; I108-F151 HydrophobicContact CD1-CD2 3.51Å; I108-F151 HydrophobicContact CD1-CE2 4.28Å; I108-F151 HydrophobicContact CD1-CG 3.99Å |
| 109 | L | 93.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 122.9 | 174.6 | -61.1 | 179.2 | 0 | 0 | 0 | 109.2 | L86 I107 W114 F122 F140 T141 L142 N143 I224 | L86-L109 HydrophobicContact CD1-CD2 4.49Å; L86-L109 HydrophobicContact CD2-CD2 4.01Å; I107-L109 HydrophobicContact CG2-CD2 4.44Å; L109-W114 HydrophobicContact CB-CZ2 4.24Å; L109-W114 HydrophobicContact CD2-CH2 4.23Å; L109-F122 HydrophobicContact CD2-CD2 4.32Å; L109-F122 HydrophobicContact CD2-CE2 3.89Å; L109-F140 HydrophobicContact CD1-CB 4.33Å; L109-F140 HydrophobicContact CD1-CD1 4.4Å; L109-F140 HydrophobicContact CD2-CD1 3.95Å; L109-F140 HydrophobicContact CG-CD1 4.22Å; L109-T141 WeakPolarHBondContact CB-O 3.5Å; L109-T141 PolarHBondContact N-O 2.99Å; L109-L142 HydrophobicContact CB-CD2 4.18Å; L109-L142 HydrophobicContact CD1-CD2 4.08Å; L109-N143 WeakPolarHBondContact O-CB 3.28Å; L109-N143 PolarHBondContact O-N 3.22Å; L109-I224 HydrophobicContact CD1-CD1 4.23Å |
| 110 | P | 90.5 | Very high | 90.5 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 159.1 | -173.2 | 23.3 | -27.1 | 0 | 0 | 0 | 112.6 | W114 L118 | P110-W114 HydrophobicContact CG-CZ2 4.46Å; P110-W114 PolarHBondContact O-NE1 3.33Å; P110-L118 HydrophobicContact CG-CD2 3.57Å |
| 111 | S | 84.5 | Confident | 90.7 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 48% | 0.483 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 152.5 | 170.5 | -45.5 | 0 | 0 | 0 | 0 | 110.4 | N143 | S111-N143 PolarHBondContact OG-ND2 3.32Å; S111-N143 PolarHBondContact OG-O 3.17Å |
| 112 | R | 80.9 | Confident | 90.8 | Very high | 146 Ų | 146 | 39.5 Ų | 39.5 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -71.1 | 155.1 | -179.5 | -58.2 | 168 | -170.4 | 170.4 | -4.2 | 110.6 | N420 | R112-N420 WeakPolarHBondContact CD-O 3.31Å; R112-N420 PolarHBondContact NE-O 2.86Å |
| 113 | P | 83.8 | Confident | 90.8 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 51% | 0.506 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | cis | -78 | 154.7 | -6.5 | 27.6 | -30.5 | 0 | 0 | 0 | 113.8 | V421 N423 | P113-V421 WeakPolarHBondContact CA-O 3.21Å; P113-N423 HydrophobicContact CB-CB 3.57Å; P113-N423 HydrophobicContact CG-CB 3.76Å |
| 114 | W | 87.2 | Confident | 90.9 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -95.2 | 149.6 | 167.1 | -56.5 | -0.5 | 0 | 0 | 0 | 111.6 | L86 L109 P110 L118 I119 F122 L416 V421 | L86-W114 HydrophobicContact CD2-CE3 4.4Å; L86-W114 HydrophobicContact CD2-CH2 3.92Å; L86-W114 HydrophobicContact CD2-CZ2 4.42Å; L86-W114 HydrophobicContact CD2-CZ3 3.89Å; L109-W114 HydrophobicContact CB-CZ2 4.24Å; L109-W114 HydrophobicContact CD2-CH2 4.23Å; P110-W114 HydrophobicContact CG-CZ2 4.46Å; P110-W114 PolarHBondContact O-NE1 3.33Å; W114-L118 HydrophobicContact CB-CB 4.4Å; W114-L118 HydrophobicContact CB-CD2 3.92Å; W114-L118 HydrophobicContact CB-CG 4.43Å; W114-L118 HydrophobicContact CD2-CD2 4.08Å; W114-L118 HydrophobicContact CE3-CD2 4.43Å; W114-L118 HydrophobicContact CE3-CG 4.39Å; W114-L118 HydrophobicContact CG-CD2 3.82Å; W114-I119 HydrophobicContact CB-CG1 4.17Å; W114-I119 HydrophobicContact CE3-CG1 4.37Å; W114-F122 HydrophobicContact CH2-CD2 4.44Å; W114-F122 HydrophobicContact CH2-CG 4.46Å; W114-F122 HydrophobicContact CZ3-CB 4.06Å; W114-F122 HydrophobicContact CZ3-CD1 4.18Å; W114-F122 HydrophobicContact CZ3-CD2 4.28Å; W114-F122 AromaticContact CZ3-CG 3.89Å; W114-F122 HydrophobicContact CZ3-CG 3.89Å; W114-L416 HydrophobicContact CE3-CD2 4.27Å; W114-L416 HydrophobicContact CH2-CD2 4.23Å; W114-L416 HydrophobicContact CZ3-CD2 3.68Å; W114-V421 HydrophobicContact CB-CG1 3.23Å; W114-V421 HydrophobicContact CD2-CB 4.33Å; W114-V421 HydrophobicContact CD2-CG1 3.23Å; W114-V421 HydrophobicContact CD2-CG2 4.11Å; W114-V421 HydrophobicContact CE3-CG1 3.58Å; W114-V421 HydrophobicContact CE3-CG2 4.16Å; W114-V421 HydrophobicContact CG-CB 4.46Å; W114-V421 HydrophobicContact CG-CG1 3.11Å; W114-V421 HydrophobicContact CH2-CG2 4.4Å; W114-V421 HydrophobicContact CZ2-CG2 4.35Å; W114-V421 HydrophobicContact CZ3-CG1 4.49Å; W114-V421 HydrophobicContact CZ3-CG2 4.32Å; W114-V421 PolarHBondContact N-O 2.88Å; W114-V421 VanDerWaalsContact N-O 3.17Å |
| 115 | S | 89.6 | Confident | 90.9 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 49% | 0.49 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -74.8 | 155.2 | 171.4 | 67.4 | 0 | 0 | 0 | 0 | 111.1 | A117 L118 I119 | S115-A117 PolarHBondContact O-N 3Å; S115-L118 WeakPolarHBondContact O-CB 3.46Å; S115-L118 PolarHBondContact O-N 3.42Å; S115-L118 WeakPolarHBondContact OG-CB 3.39Å; S115-L118 PolarHBondContact OG-N 3.09Å; S115-I119 PolarHBondContact O-N 2.9Å |
| 116 | Q | 86.6 | Confident | 90.8 | Very high | 100 Ų | 100 | 43.8 Ų | 43.8 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.2 | -34.9 | 176.1 | -170.4 | 61.4 | 41.4 | 0 | 0 | 112.4 | L118 I119 N120 | Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-I119 PolarHBondContact O-N 2.93Å; Q116-N120 PolarHBondContact NE2-OD1 3.26Å; Q116-N120 VanDerWaalsContact O-CG 3.26Å; Q116-N120 PolarHBondContact O-N 3.33Å |
| 117 | A | 92.1 | Very high | 90.6 | Very high | 73 Ų | 73 | 49.2 Ų | 49.2 | 60% | 0.603 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S115 H121 | S115-A117 PolarHBondContact O-N 3Å; A117-H121 VanDerWaalsContact O-CB 3.29Å; A117-H121 WeakPolarHBondContact O-CB 3.49Å; A117-H121 PolarHBondContact O-N 3.12Å |
| 118 | L | 92.6 | Very high | 90.4 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70 | -37.4 | 177.9 | -174.1 | 64.8 | 0 | 0 | 0 | 112.1 | L86 A87 P110 W114 S115 Q116 H121 F122 | L86-L118 HydrophobicContact CD2-CD1 3.95Å; L86-L118 HydrophobicContact CD2-CD2 4.48Å; L86-L118 HydrophobicContact CD2-CG 4.18Å; L86-L118 HydrophobicContact CG-CD1 3.93Å; A87-L118 HydrophobicContact CB-CD1 4.26Å; P110-L118 HydrophobicContact CG-CD2 3.57Å; W114-L118 HydrophobicContact CB-CB 4.4Å; W114-L118 HydrophobicContact CB-CD2 3.92Å; W114-L118 HydrophobicContact CB-CG 4.43Å; W114-L118 HydrophobicContact CD2-CD2 4.08Å; W114-L118 HydrophobicContact CE3-CD2 4.43Å; W114-L118 HydrophobicContact CE3-CG 4.39Å; W114-L118 HydrophobicContact CG-CD2 3.82Å; S115-L118 WeakPolarHBondContact O-CB 3.46Å; S115-L118 PolarHBondContact O-N 3.42Å; S115-L118 WeakPolarHBondContact OG-CB 3.39Å; S115-L118 PolarHBondContact OG-N 3.09Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; L118-H121 PolarHBondContact O-N 3.4Å; L118-F122 WeakPolarHBondContact O-CB 3.45Å; L118-F122 PolarHBondContact O-N 3.26Å |
| 119 | I | 90.1 | Very high | 90.2 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -51.9 | 173.4 | -72.1 | 168.5 | 0 | 0 | 0 | 110.4 | W114 S115 Q116 H121 F122 I123 L416 V421 M422 | W114-I119 HydrophobicContact CB-CG1 4.17Å; W114-I119 HydrophobicContact CE3-CG1 4.37Å; S115-I119 PolarHBondContact O-N 2.9Å; Q116-I119 PolarHBondContact O-N 2.93Å; I119-H121 VanDerWaalsContact C-N 3.28Å; I119-H121 PolarHBondContact O-N 2.82Å; I119-F122 PolarHBondContact O-N 2.96Å; I119-I123 HydrophobicContact CG2-CD1 3.99Å; I119-I123 WeakPolarHBondContact O-CG1 3.06Å; I119-I123 PolarHBondContact O-N 3.32Å; I119-L416 HydrophobicContact CB-CD1 4.46Å; I119-L416 HydrophobicContact CG2-CD1 3.72Å; I119-V421 HydrophobicContact CD1-CG1 4.26Å; I119-V421 HydrophobicContact CG1-CG1 4.17Å; I119-M422 HydrophobicContact CD1-CE 4.37Å; I119-M422 HydrophobicContact CD1-SD 3.78Å |
| 120 | N | 91.5 | Very high | 90.1 | Very high | 91 Ų | 91 | 51.9 Ų | 51.9 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 179.4 | -66.8 | -9.6 | 0 | 0 | 0 | 111.6 | Q116 H124 | Q116-N120 PolarHBondContact NE2-OD1 3.26Å; Q116-N120 VanDerWaalsContact O-CG 3.26Å; Q116-N120 PolarHBondContact O-N 3.33Å; N120-H124 PolarHBondContact O-N 2.97Å; N120-H124 VanDerWaalsContact O-N 3.08Å |
| 121 | H | 94.3 | Very high | 90.1 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.1 | 179 | 66.7 | 0 | 0 | 0 | 112.1 | L86 V89 A117 L118 I119 H124 V125 | L86-H121 PolarHBondContact O-NE2 3.27Å; L86-H121 VanDerWaalsContact O-NE2 3.17Å; V89-H121 PolarHBondContact O-CE1 3.01Å; V89-H121 PolarHBondContact O-NE2 3.05Å; A117-H121 VanDerWaalsContact O-CB 3.29Å; A117-H121 WeakPolarHBondContact O-CB 3.49Å; A117-H121 PolarHBondContact O-N 3.12Å; L118-H121 PolarHBondContact O-N 3.4Å; I119-H121 VanDerWaalsContact C-N 3.28Å; I119-H121 PolarHBondContact O-N 2.82Å; H121-H124 WeakPolarHBondContact O-CB 3.4Å; H121-H124 PolarHBondContact O-N 3Å; H121-V125 WeakPolarHBondContact O-CG2 3.36Å; H121-V125 PolarHBondContact O-N 2.78Å |
| 122 | F | 93.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 176.2 | -178.7 | -102.8 | 0 | 0 | 0 | 112 | L86 L109 W114 L118 I119 H124 V125 E126 F140 L416 | L86-F122 HydrophobicContact CD1-CD2 3.66Å; L86-F122 HydrophobicContact CD1-CE2 4.46Å; L86-F122 HydrophobicContact CD2-CB 4.15Å; L86-F122 HydrophobicContact CD2-CD2 3.77Å; L86-F122 HydrophobicContact CD2-CG 4.3Å; L86-F122 HydrophobicContact CG-CD2 4.35Å; L109-F122 HydrophobicContact CD2-CD2 4.32Å; L109-F122 HydrophobicContact CD2-CE2 3.89Å; W114-F122 HydrophobicContact CH2-CD2 4.44Å; W114-F122 HydrophobicContact CH2-CG 4.46Å; W114-F122 HydrophobicContact CZ3-CB 4.06Å; W114-F122 HydrophobicContact CZ3-CD1 4.18Å; W114-F122 HydrophobicContact CZ3-CD2 4.28Å; W114-F122 AromaticContact CZ3-CG 3.89Å; W114-F122 HydrophobicContact CZ3-CG 3.89Å; L118-F122 WeakPolarHBondContact O-CB 3.45Å; L118-F122 PolarHBondContact O-N 3.26Å; I119-F122 PolarHBondContact O-N 2.96Å; F122-H124 PolarHBondContact O-N 3.19Å; F122-V125 PolarHBondContact O-N 2.78Å; F122-E126 HydrophobicContact CE1-CB 4.46Å; F122-E126 WeakPolarHBondContact CE1-OE2 3.15Å; F122-E126 VanDerWaalsContact O-CB 3.24Å; F122-E126 WeakPolarHBondContact O-CB 3.4Å; F122-E126 PolarHBondContact O-N 3.18Å; F122-F140 HydrophobicContact CE2-CE1 4.46Å; F122-L416 HydrophobicContact CD1-CD1 4.01Å; F122-L416 HydrophobicContact CD1-CD2 3.95Å; F122-L416 HydrophobicContact CD1-CG 3.75Å; F122-L416 HydrophobicContact CE1-CD2 4.11Å; F122-L416 HydrophobicContact CE1-CG 3.97Å |
| 123 | I | 91.7 | Very high | 91 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.2 | -40.4 | 176.8 | -68.2 | 168.1 | 0 | 0 | 0 | 110.7 | I119 K127 Q410 W411 L416 | I119-I123 HydrophobicContact CG2-CD1 3.99Å; I119-I123 WeakPolarHBondContact O-CG1 3.06Å; I119-I123 PolarHBondContact O-N 3.32Å; I123-K127 WeakPolarHBondContact O-CB 3.42Å; I123-K127 PolarHBondContact O-N 3.42Å; I123-K127 VanDerWaalsContact O-N 3.09Å; I123-Q410 HydrophobicContact CG2-CB 4.35Å; I123-W411 HydrophobicContact CD1-CH2 4.34Å; I123-W411 HydrophobicContact CD1-CZ2 4.34Å; I123-L416 HydrophobicContact CD1-CD1 4.19Å; I123-L416 HydrophobicContact CG1-CD1 3.95Å |
| 124 | H | 92.2 | Very high | 91.4 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.3 | -50.5 | 176.5 | -179.9 | 44.9 | 0 | 0 | 0 | 112 | N120 H121 F122 E126 K127 E128 | N120-H124 PolarHBondContact O-N 2.97Å; N120-H124 VanDerWaalsContact O-N 3.08Å; H121-H124 WeakPolarHBondContact O-CB 3.4Å; H121-H124 PolarHBondContact O-N 3Å; F122-H124 PolarHBondContact O-N 3.19Å; H124-E126 VanDerWaalsContact C-N 3.33Å; H124-E126 PolarHBondContact O-N 3.29Å; H124-K127 PolarHBondContact O-N 3.29Å; H124-E128 IonicContact CE1-OE1 3.74Å; H124-E128 WeakPolarHBondContact O-CG 3.06Å; H124-E128 PolarHBondContact O-N 2.81Å |
| 125 | V | 93 | Very high | 91.7 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 178.3 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | V89 H121 F122 K127 E128 L129 | V89-V125 HydrophobicContact CG1-CG1 3.78Å; V89-V125 HydrophobicContact CG1-CG2 4.34Å; H121-V125 WeakPolarHBondContact O-CG2 3.36Å; H121-V125 PolarHBondContact O-N 2.78Å; F122-V125 PolarHBondContact O-N 2.78Å; V125-K127 PolarHBondContact O-N 3.13Å; V125-E128 PolarHBondContact O-N 2.77Å; V125-L129 HydrophobicContact CG1-CD1 4.05Å; V125-L129 HydrophobicContact CG1-CG 4.45Å; V125-L129 WeakPolarHBondContact O-CG 3.38Å; V125-L129 PolarHBondContact O-N 2.86Å |
| 126 | E | 93.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 179 | 172.7 | 157.9 | -128.1 | 0 | 0 | 112.2 | F122 H124 E128 L129 L130 A223 T414 T415 | F122-E126 HydrophobicContact CE1-CB 4.46Å; F122-E126 WeakPolarHBondContact CE1-OE2 3.15Å; F122-E126 VanDerWaalsContact O-CB 3.24Å; F122-E126 WeakPolarHBondContact O-CB 3.4Å; F122-E126 PolarHBondContact O-N 3.18Å; H124-E126 VanDerWaalsContact C-N 3.33Å; H124-E126 PolarHBondContact O-N 3.29Å; E126-E128 VanDerWaalsContact C-N 3.32Å; E126-E128 PolarHBondContact O-N 2.95Å; E126-L129 PolarHBondContact O-N 3.18Å; E126-L130 HydrophobicContact CG-CD1 4.22Å; E126-L130 WeakPolarHBondContact O-CG 3.31Å; E126-L130 PolarHBondContact O-N 3.17Å; E126-A223 HydrophobicContact CB-CB 4.34Å; E126-A223 HydrophobicContact CG-CB 3.69Å; E126-A223 PolarHBondContact OE1-N 2.83Å; E126-A223 VanDerWaalsContact OE1-N 3.13Å; E126-T414 WeakPolarHBondContact OE2-CA 3.48Å; E126-T414 WeakPolarHBondContact OE2-CB 3.3Å; E126-T414 PolarHBondContact OE2-OG1 2.78Å; E126-T415 VanDerWaalsContact CD-N 3.3Å; E126-T415 VanDerWaalsContact OE1-CB 3.29Å; E126-T415 WeakPolarHBondContact OE1-CB 3.33Å; E126-T415 PolarHBondContact OE1-N 3.05Å; E126-T415 PolarHBondContact OE1-OG1 3.43Å; E126-T415 PolarHBondContact OE2-N 2.96Å |
| 127 | K | 91.4 | Very high | 92.2 | Very high | 115 Ų | 115 | 41.8 Ų | 41.8 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -43 | 176 | -176.5 | -172.4 | 174.4 | -164 | 0 | 112.2 | I123 H124 V125 L130 T131 | I123-K127 WeakPolarHBondContact O-CB 3.42Å; I123-K127 PolarHBondContact O-N 3.42Å; I123-K127 VanDerWaalsContact O-N 3.09Å; H124-K127 PolarHBondContact O-N 3.29Å; V125-K127 PolarHBondContact O-N 3.13Å; K127-L130 CarbonylContact O-C 3.55Å; K127-L130 PolarHBondContact O-N 2.83Å; K127-T131 PolarHBondContact O-N 2.81Å; K127-T131 PolarHBondContact O-OG1 3.37Å |
| 128 | E | 90.6 | Very high | 92.3 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 179.9 | -62.7 | -69.8 | 143 | 0 | 0 | 111 | V91 H124 V125 E126 L130 T131 D132 | V91-E128 HydrophobicContact CG2-CB 3.43Å; V91-E128 VanDerWaalsContact CG2-CB 3.43Å; V91-E128 HydrophobicContact CG2-CG 3.56Å; H124-E128 IonicContact CE1-OE1 3.74Å; H124-E128 WeakPolarHBondContact O-CG 3.06Å; H124-E128 PolarHBondContact O-N 2.81Å; V125-E128 PolarHBondContact O-N 2.77Å; E126-E128 VanDerWaalsContact C-N 3.32Å; E126-E128 PolarHBondContact O-N 2.95Å; E128-L130 PolarHBondContact O-N 2.85Å; E128-T131 PolarHBondContact O-N 2.97Å; E128-T131 VanDerWaalsContact O-N 3.07Å; E128-D132 PolarHBondContact O-N 3Å; E128-D132 VanDerWaalsContact O-N 3.14Å |
| 129 | L | 92.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -26.7 | 173.4 | -71.7 | 174.2 | 0 | 0 | 0 | 113.6 | I94 V125 E126 F134 I138 F140 A223 | I94-L129 HydrophobicContact CD1-CD2 4.11Å; V125-L129 HydrophobicContact CG1-CD1 4.05Å; V125-L129 HydrophobicContact CG1-CG 4.45Å; V125-L129 WeakPolarHBondContact O-CG 3.38Å; V125-L129 PolarHBondContact O-N 2.86Å; E126-L129 PolarHBondContact O-N 3.18Å; L129-F134 HydrophobicContact CD2-CD2 4.24Å; L129-F134 HydrophobicContact CD2-CE1 4.45Å; L129-F134 HydrophobicContact CD2-CE2 3.81Å; L129-F134 HydrophobicContact CD2-CZ 3.92Å; L129-I138 HydrophobicContact CD2-CD1 3.9Å; L129-F140 HydrophobicContact CD1-CE2 4.33Å; L129-F140 HydrophobicContact CD1-CZ 3.62Å; L129-A223 HydrophobicContact CB-CB 4.24Å; L129-A223 HydrophobicContact CD1-CB 4.41Å |
| 130 | L | 91.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3 | 176 | -70.8 | 175.1 | 0 | 0 | 0 | 113.9 | Q49 Y51 V58 E126 K127 E128 A223 Q413 | Q49-L130 HydrophobicContact CB-CD2 4.18Å; Q49-L130 HydrophobicContact CG-CD2 4.05Å; Y51-L130 HydrophobicContact CE1-CD2 4.23Å; V58-L130 VanDerWaalsContact CG1-C 3.43Å; V58-L130 WeakPolarHBondContact CG1-O 3.06Å; E126-L130 HydrophobicContact CG-CD1 4.22Å; E126-L130 WeakPolarHBondContact O-CG 3.31Å; E126-L130 PolarHBondContact O-N 3.17Å; K127-L130 CarbonylContact O-C 3.55Å; K127-L130 PolarHBondContact O-N 2.83Å; E128-L130 PolarHBondContact O-N 2.85Å; L130-A223 HydrophobicContact CD2-CB 4.49Å; L130-A223 HydrophobicContact CG-CB 4.24Å; L130-Q413 HydrophobicContact CD1-CB 3.78Å |
| 131 | T | 89.6 | Confident | 92.8 | Very high | 77 Ų | 77 | 32.5 Ų | 32.5 | 47% | 0.472 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -44.1 | -179.9 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | K127 E128 | K127-T131 PolarHBondContact O-N 2.81Å; K127-T131 PolarHBondContact O-OG1 3.37Å; E128-T131 PolarHBondContact O-N 2.97Å; E128-T131 VanDerWaalsContact O-N 3.07Å |
| 132 | D | 90.8 | Very high | 92.7 | Very high | 50 Ų | 50 | 33.9 Ų | 33.9 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -95.4 | 159 | -174 | -76.7 | -9.8 | 0 | 0 | 0 | 112.9 | G59 K95 E128 F134 | G59-D132 PolarHBondContact N-O 2.99Å; K95-D132 WeakPolarHBondContact CE-OD2 3.2Å; K95-D132 IonicContact NZ-OD2 2.7Å; K95-D132 PolarHBondContact NZ-OD2 3.44Å; E128-D132 PolarHBondContact O-N 3Å; E128-D132 VanDerWaalsContact O-N 3.14Å; D132-F134 HydrophobicContact CB-CE1 4.39Å; D132-F134 HydrophobicContact CB-CE2 3.68Å; D132-F134 HydrophobicContact CB-CZ 3.6Å; D132-F134 WeakPolarHBondContact O-CD2 3.35Å; D132-F134 VanDerWaalsContact O-CE2 3.31Å; D132-F134 WeakPolarHBondContact O-CE2 3.44Å |
| 133 | E | 93 | Very high | 92.5 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 34% | 0.341 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.7 | 169.5 | -173.1 | 179 | -161.6 | 0 | 0 | 110.7 | R57 R61 Q135 | R57-E133 HydrophobicContact CB-CG 4.16Å; R57-E133 VanDerWaalsContact CD-OE1 3.23Å; R57-E133 WeakPolarHBondContact CD-OE1 3.19Å; R61-E133 HydrophobicContact CG-CG 3.7Å; R61-E133 WeakPolarHBondContact CG-OE1 3.36Å; R61-E133 IonicContact NE-OE1 3.99Å; E133-Q135 PolarHBondContact OE1-NE2 3.11Å; E133-Q135 PolarHBondContact OE2-NE2 2.89Å |
| 134 | F | 93.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 112.4 | 178.7 | -57.6 | -89 | 0 | 0 | 0 | 111 | G59 R61 I94 I98 L129 D132 I136 I138 | G59-F134 PolarHBondContact O-N 2.86Å; R61-F134 PolarHBondContact N-O 3.48Å; I94-F134 HydrophobicContact CB-CE1 4.49Å; I94-F134 HydrophobicContact CG2-CD1 3.49Å; I94-F134 VanDerWaalsContact CG2-CD1 3.49Å; I94-F134 HydrophobicContact CG2-CE1 3.5Å; I98-F134 HydrophobicContact CD1-CB 4.44Å; I98-F134 HydrophobicContact CD1-CD1 3.74Å; L129-F134 HydrophobicContact CD2-CD2 4.24Å; L129-F134 HydrophobicContact CD2-CE1 4.45Å; L129-F134 HydrophobicContact CD2-CE2 3.81Å; L129-F134 HydrophobicContact CD2-CZ 3.92Å; D132-F134 HydrophobicContact CB-CE1 4.39Å; D132-F134 HydrophobicContact CB-CE2 3.68Å; D132-F134 HydrophobicContact CB-CZ 3.6Å; D132-F134 WeakPolarHBondContact O-CD2 3.35Å; D132-F134 VanDerWaalsContact O-CE2 3.31Å; D132-F134 WeakPolarHBondContact O-CE2 3.44Å; F134-I136 HydrophobicContact CB-CG1 4.33Å; F134-I136 PolarHBondContact O-N 3.26Å; F134-I138 HydrophobicContact CB-CD1 3.86Å; F134-I138 HydrophobicContact CD1-CD1 4.16Å; F134-I138 HydrophobicContact CD2-CD1 4.37Å; F134-I138 HydrophobicContact CG-CD1 3.86Å |
| 135 | Q | 91.9 | Very high | 92.2 | Very high | 101 Ų | 101 | 37.3 Ų | 37.3 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -80.6 | 33.5 | 178.8 | -60.5 | -62.1 | -16.8 | 0 | 0 | 113.3 | L62 E133 | L62-Q135 WeakPolarHBondContact CD1-O 3.18Å; E133-Q135 PolarHBondContact OE1-NE2 3.11Å; E133-Q135 PolarHBondContact OE2-NE2 2.89Å |
| 136 | I | 92.4 | Very high | 92 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -140.6 | 150.4 | 179.1 | 52.8 | 163.9 | 0 | 0 | 0 | 109 | S60 I94 I98 I105 F134 I138 | S60-I136 PolarHBondContact OG-O 3.28Å; I94-I136 HydrophobicContact CG2-CD1 4.43Å; I98-I136 HydrophobicContact CD1-CD1 4.05Å; I98-I136 HydrophobicContact CD1-CG1 4.05Å; I98-I136 HydrophobicContact CG1-CD1 3.53Å; I98-I136 HydrophobicContact CG1-CG1 3.76Å; I98-I136 HydrophobicContact CG1-CG2 4.03Å; I105-I136 HydrophobicContact CD1-CD1 3.39Å; I105-I136 HydrophobicContact CG1-CD1 3.82Å; F134-I136 HydrophobicContact CB-CG1 4.33Å; F134-I136 PolarHBondContact O-N 3.26Å; I136-I138 HydrophobicContact CD1-CG1 4.28Å; I136-I138 HydrophobicContact CG1-CD1 4.49Å; I136-I138 HydrophobicContact CG1-CG1 4.2Å; I136-I138 PolarHBondContact O-N 2.81Å |
| 137 | P | 94.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | trans | -72.5 | 122.1 | 174.2 | 27.3 | -29.1 | 0 | 0 | 0 | 110.1 | S60 L62 I65 A103 G104 I105 Y139 | S60-P137 WeakPolarHBondContact OG-CA 3.36Å; L62-P137 HydrophobicContact CB-CB 4.23Å; L62-P137 HydrophobicContact CB-CG 4.38Å; L62-P137 WeakPolarHBondContact O-CA 3.19Å; I65-P137 HydrophobicContact CD1-CB 4.2Å; I65-P137 HydrophobicContact CD1-CG 4.19Å; I65-P137 HydrophobicContact CG1-CB 3.88Å; I65-P137 HydrophobicContact CG1-CG 3.61Å; A103-P137 WeakPolarHBondContact O-CD 3.47Å; A103-P137 WeakPolarHBondContact O-CG 3.19Å; G104-P137 CarbonylContact C-O 3.29Å; G104-P137 VanDerWaalsContact CA-O 3.29Å; G104-P137 WeakPolarHBondContact CA-O 3.27Å; I105-P137 PolarHBondContact N-O 3.49Å; P137-Y139 HydrophobicContact CB-CD2 4.38Å; P137-Y139 HydrophobicContact CB-CE2 4Å | ||
| 138 | I | 95.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.5 | 174.2 | -56.4 | 176 | 0 | 0 | 0 | 108.6 | A48 S60 I94 I105 I107 L129 F134 I136 F140 | A48-I138 HydrophobicContact CB-CB 3.81Å; A48-I138 HydrophobicContact CB-CG2 3.98Å; A48-I138 VanDerWaalsContact CB-O 3.26Å; A48-I138 WeakPolarHBondContact CB-O 3.38Å; A48-I138 PolarHBondContact N-O 2.97Å; S60-I138 PolarHBondContact OG-N 2.74Å; I94-I138 HydrophobicContact CG2-CD1 4.34Å; I105-I138 WeakPolarHBondContact O-CA 3.34Å; I107-I138 HydrophobicContact CD1-CG2 4.17Å; L129-I138 HydrophobicContact CD2-CD1 3.9Å; F134-I138 HydrophobicContact CB-CD1 3.86Å; F134-I138 HydrophobicContact CD1-CD1 4.16Å; F134-I138 HydrophobicContact CD2-CD1 4.37Å; F134-I138 HydrophobicContact CG-CD1 3.86Å; I136-I138 HydrophobicContact CD1-CG1 4.28Å; I136-I138 HydrophobicContact CG1-CD1 4.49Å; I136-I138 HydrophobicContact CG1-CG1 4.2Å; I136-I138 PolarHBondContact O-N 2.81Å; I138-F140 HydrophobicContact CG2-CE2 4.24Å |
| 139 | Y | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.3 | 176.9 | -77.1 | -91.6 | 0 | 0 | 0 | 110.7 | V45 Y46 R47 S63 I65 I105 I106 I107 P137 T183 S185 | V45-Y139 HydrophobicContact CB-CD1 3.82Å; V45-Y139 HydrophobicContact CB-CG 4.37Å; V45-Y139 HydrophobicContact CG2-CD1 3.54Å; V45-Y139 HydrophobicContact CG2-CE1 3.92Å; V45-Y139 HydrophobicContact CG2-CG 4.31Å; Y46-Y139 CarbonylContact O-C 3.56Å; Y46-Y139 WeakPolarHBondContact O-CA 3.34Å; R47-Y139 HydrophobicContact CB-CD1 4.03Å; R47-Y139 HydrophobicContact CB-CE1 3.59Å; R47-Y139 HydrophobicContact CG-CD1 4.43Å; R47-Y139 HydrophobicContact CG-CE1 3.87Å; S63-Y139 VanDerWaalsContact O-CE2 3.28Å; S63-Y139 WeakPolarHBondContact O-CE2 3.25Å; S63-Y139 PolarHBondContact O-OH 3.16Å; I65-Y139 HydrophobicContact CD1-CD2 3.47Å; I65-Y139 VanDerWaalsContact CD1-CD2 3.47Å; I65-Y139 HydrophobicContact CD1-CE2 3.8Å; I65-Y139 HydrophobicContact CD1-CG 4.49Å; I65-Y139 HydrophobicContact CG1-CD2 4.35Å; I65-Y139 HydrophobicContact CG1-CE2 4.2Å; I105-Y139 PolarHBondContact O-N 3.14Å; I106-Y139 CarbonylContact C-O 3.53Å; I106-Y139 VanDerWaalsContact CA-O 3.31Å; I106-Y139 WeakPolarHBondContact CA-O 3.27Å; I107-Y139 PolarHBondContact N-O 3.4Å; P137-Y139 HydrophobicContact CB-CD2 4.38Å; P137-Y139 HydrophobicContact CB-CE2 4Å; Y139-T183 HydrophobicContact CE2-CG2 4.36Å; Y139-S185 PolarHBondContact OH-OG 3.06Å |
| 140 | F | 95.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.3 | 171.5 | -66.2 | -94.7 | 0 | 0 | 0 | 109.3 | V45 Y46 A48 I107 L109 F122 L129 I138 I224 | V45-F140 CarbonylContact C-O 3.5Å; V45-F140 VanDerWaalsContact CA-O 3.31Å; V45-F140 WeakPolarHBondContact CA-O 3.42Å; Y46-F140 WeakPolarHBondContact CD2-O 3.38Å; Y46-F140 PolarHBondContact N-O 2.91Å; Y46-F140 PolarHBondContact O-N 2.94Å; A48-F140 HydrophobicContact CB-CE2 3.98Å; I107-F140 HydrophobicContact CB-CD1 3.69Å; I107-F140 HydrophobicContact CB-CE1 3.86Å; I107-F140 HydrophobicContact CB-CG 4.45Å; I107-F140 HydrophobicContact CD1-CD1 4.29Å; I107-F140 HydrophobicContact CD1-CE1 3.6Å; I107-F140 HydrophobicContact CD1-CZ 3.8Å; I107-F140 HydrophobicContact CG1-CE1 4.31Å; I107-F140 HydrophobicContact CG2-CD1 3.86Å; I107-F140 HydrophobicContact CG2-CE1 3.89Å; I107-F140 CarbonylContact O-C 3.2Å; I107-F140 VanDerWaalsContact O-CA 3.3Å; I107-F140 WeakPolarHBondContact O-CA 3.49Å; L109-F140 HydrophobicContact CD1-CB 4.33Å; L109-F140 HydrophobicContact CD1-CD1 4.4Å; L109-F140 HydrophobicContact CD2-CD1 3.95Å; L109-F140 HydrophobicContact CG-CD1 4.22Å; F122-F140 HydrophobicContact CE2-CE1 4.46Å; L129-F140 HydrophobicContact CD1-CE2 4.33Å; L129-F140 HydrophobicContact CD1-CZ 3.62Å; I138-F140 HydrophobicContact CG2-CE2 4.24Å; F140-I224 HydrophobicContact CB-CD1 3.71Å; F140-I224 HydrophobicContact CB-CG1 4.45Å; F140-I224 HydrophobicContact CD1-CD1 3.7Å; F140-I224 HydrophobicContact CD1-CG1 4.45Å; F140-I224 HydrophobicContact CD2-CD1 3.59Å; F140-I224 HydrophobicContact CD2-CG1 3.53Å; F140-I224 HydrophobicContact CE1-CD1 4.16Å; F140-I224 HydrophobicContact CE2-CD1 4.06Å; F140-I224 HydrophobicContact CE2-CG1 3.75Å; F140-I224 HydrophobicContact CG-CD1 3.37Å; F140-I224 HydrophobicContact CG-CG1 3.91Å; F140-I224 HydrophobicContact CZ-CD1 4.31Å; F140-I224 HydrophobicContact CZ-CG1 4.29Å |
| 141 | T | 93.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147.9 | 171.2 | -169.4 | 0 | 0 | 0 | 0 | 109.9 | F43 T44 I106 I107 I108 L109 V147 | F43-T141 WeakPolarHBondContact CD2-OG1 3.1Å; F43-T141 HydrophobicContact CE2-CG2 4.31Å; T44-T141 PolarHBondContact O-OG1 3.47Å; I106-T141 HydrophobicContact CG2-CG2 3.94Å; I107-T141 PolarHBondContact O-N 3.16Å; I108-T141 HydrophobicContact CB-CG2 4.36Å; I108-T141 HydrophobicContact CG1-CG2 3.88Å; I108-T141 HydrophobicContact CG2-CG2 4.48Å; L109-T141 WeakPolarHBondContact CB-O 3.5Å; L109-T141 PolarHBondContact N-O 2.99Å; T141-V147 HydrophobicContact CG2-CG1 3.94Å; T141-V147 HydrophobicContact CG2-CG2 4.26Å |
| 142 | L | 91.3 | Very high | 91.9 | Very high | 80 Ų | 80 | 39.3 Ų | 39.3 | 42% | 0.419 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 137.1 | 174.3 | -64.3 | 172.7 | 0 | 0 | 0 | 108.9 | Y46 L109 S144 | Y46-L142 HydrophobicContact CE2-CD1 4.25Å; Y46-L142 HydrophobicContact CE2-CG 4.08Å; L109-L142 HydrophobicContact CB-CD2 4.18Å; L109-L142 HydrophobicContact CD1-CD2 4.08Å; L142-S144 PolarHBondContact O-N 2.86Å; L142-S144 VanDerWaalsContact O-N 3.09Å |
| 143 | N | 90.4 | Very high | 91.7 | Very high | 45 Ų | 45 | 39 Ų | 39 | 24% | 0.241 | 21% | 0.208 | C | C | . | . | trans | -64.5 | 114.1 | 179.8 | -168.8 | 32.9 | 0 | 0 | 0 | 111 | I108 L109 S111 Q148 | I108-N143 HydrophobicContact CG2-CB 3.98Å; L109-N143 WeakPolarHBondContact O-CB 3.28Å; L109-N143 PolarHBondContact O-N 3.22Å; S111-N143 PolarHBondContact OG-ND2 3.32Å; S111-N143 PolarHBondContact OG-O 3.17Å; N143-Q148 PolarHBondContact OD1-OE1 3.34Å | ||
| 144 | S | 88.7 | Confident | 91.5 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 33% | 0.329 | 19% | 0.192 | S | C | . | . | trans | -119 | 167.1 | 173.2 | 70.5 | 0 | 0 | 0 | 0 | 109.8 | L142 S146 V147 Q148 | L142-S144 PolarHBondContact O-N 2.86Å; L142-S144 VanDerWaalsContact O-N 3.09Å; S144-S146 PolarHBondContact O-N 3.31Å; S144-V147 PolarHBondContact O-N 3.45Å; S144-V147 WeakPolarHBondContact OG-CG2 3.23Å; S144-V147 PolarHBondContact OG-N 2.99Å; S144-Q148 WeakPolarHBondContact O-CB 3.34Å; S144-Q148 PolarHBondContact O-N 2.83Å | ||
| 145 | S | 89.3 | Confident | 91.3 | Very high | 103 Ų | 103 | 36.2 Ų | 36.2 | 72% | 0.72 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -55.4 | -41.1 | 175.8 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | Q148 E149 | S145-Q148 PolarHBondContact O-N 2.9Å; S145-E149 WeakPolarHBondContact O-CB 3.39Å; S145-E149 PolarHBondContact O-N 3.33Å |
| 146 | S | 87.4 | Confident | 91 | Very high | 43 Ų | 43 | 38 Ų | 38 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65 | -46.1 | 177 | -49.9 | 0 | 0 | 0 | 0 | 112.2 | Q41 S144 Q148 E149 V150 | Q41-S146 PolarHBondContact OE1-O 3.4Å; S144-S146 PolarHBondContact O-N 3.31Å; S146-Q148 VanDerWaalsContact C-N 3.32Å; S146-Q148 PolarHBondContact O-N 3.45Å; S146-E149 PolarHBondContact O-N 2.58Å; S146-V150 WeakPolarHBondContact O-CG2 3.4Å; S146-V150 PolarHBondContact O-N 2.82Å |
| 147 | V | 91.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | F43 I108 T141 S144 V150 F151 | F43-V147 HydrophobicContact CB-CG2 3.81Å; F43-V147 HydrophobicContact CD1-CG2 3.66Å; F43-V147 HydrophobicContact CD2-CG2 3.76Å; F43-V147 HydrophobicContact CE1-CG2 4.09Å; F43-V147 HydrophobicContact CE2-CG2 4.2Å; F43-V147 HydrophobicContact CG-CG2 3.47Å; F43-V147 VanDerWaalsContact CG-CG2 3.47Å; F43-V147 HydrophobicContact CZ-CG2 4.36Å; I108-V147 HydrophobicContact CD1-CG1 3.78Å; I108-V147 HydrophobicContact CG1-CG1 3.87Å; I108-V147 HydrophobicContact CG2-CG1 3.86Å; T141-V147 HydrophobicContact CG2-CG1 3.94Å; T141-V147 HydrophobicContact CG2-CG2 4.26Å; S144-V147 PolarHBondContact O-N 3.45Å; S144-V147 WeakPolarHBondContact OG-CG2 3.23Å; S144-V147 PolarHBondContact OG-N 2.99Å; V147-V150 PolarHBondContact O-N 3.34Å; V147-F151 WeakPolarHBondContact O-CB 3.35Å; V147-F151 PolarHBondContact O-N 2.87Å |
| 148 | Q | 92.2 | Very high | 90 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 177.4 | -175.3 | 64.2 | 28.9 | 0 | 0 | 111.5 | N143 S144 S145 S146 F151 E152 | N143-Q148 PolarHBondContact OD1-OE1 3.34Å; S144-Q148 WeakPolarHBondContact O-CB 3.34Å; S144-Q148 PolarHBondContact O-N 2.83Å; S145-Q148 PolarHBondContact O-N 2.9Å; S146-Q148 VanDerWaalsContact C-N 3.32Å; S146-Q148 PolarHBondContact O-N 3.45Å; Q148-F151 PolarHBondContact O-N 2.94Å; Q148-E152 PolarHBondContact NE2-OE1 2.82Å; Q148-E152 WeakPolarHBondContact O-CG 3.45Å; Q148-E152 PolarHBondContact O-N 3.24Å |
| 149 | E | 89.6 | Confident | 89.4 | Confident | 91 Ų | 91 | 46.6 Ų | 46.6 | 43% | 0.425 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 176.8 | -170.6 | -170.7 | 161.2 | 0 | 0 | 111.7 | S145 S146 F151 E152 Q153 | S145-E149 WeakPolarHBondContact O-CB 3.39Å; S145-E149 PolarHBondContact O-N 3.33Å; S146-E149 PolarHBondContact O-N 2.58Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 3.49Å; E149-E152 PolarHBondContact O-N 3.32Å; E149-Q153 WeakPolarHBondContact O-CB 3.44Å; E149-Q153 VanDerWaalsContact O-CG 3.26Å; E149-Q153 WeakPolarHBondContact O-CG 3.42Å; E149-Q153 PolarHBondContact O-N 3.19Å; E149-Q153 PolarHBondContact OE1-NE2 3.47Å |
| 150 | V | 89.7 | Confident | 88.3 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | Q41 L83 S146 V147 E152 Q153 V154 Y179 V632 | Q41-V150 HydrophobicContact CB-CG2 4.44Å; L83-V150 HydrophobicContact CD1-CG1 4.28Å; S146-V150 WeakPolarHBondContact O-CG2 3.4Å; S146-V150 PolarHBondContact O-N 2.82Å; V147-V150 PolarHBondContact O-N 3.34Å; V150-E152 PolarHBondContact O-N 3.09Å; V150-Q153 PolarHBondContact O-N 2.9Å; V150-V154 HydrophobicContact CG1-CG2 4.01Å; V150-V154 WeakPolarHBondContact O-CB 3.39Å; V150-V154 WeakPolarHBondContact O-CG2 3.17Å; V150-V154 PolarHBondContact O-N 3.08Å; V150-Y179 HydrophobicContact CG1-CD1 4.28Å; V150-V632 HydrophobicContact CG1-CG1 4.1Å; V150-V632 HydrophobicContact CG2-CG1 4.27Å |
| 151 | F | 92.4 | Very high | 86.9 | Confident | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | -178.1 | -178.3 | -94.9 | 0 | 0 | 0 | 112.1 | T71 L83 R85 I108 V147 Q148 E149 S155 | T71-F151 HydrophobicContact CG2-CD2 3.96Å; T71-F151 HydrophobicContact CG2-CE2 3.71Å; T71-F151 HydrophobicContact CG2-CZ 4.21Å; L83-F151 HydrophobicContact CB-CD2 4.09Å; L83-F151 HydrophobicContact CB-CE2 4.37Å; R85-F151 HydrophobicContact CG-CE1 4.1Å; R85-F151 HydrophobicContact CG-CE2 3.99Å; R85-F151 HydrophobicContact CG-CZ 3.69Å; I108-F151 HydrophobicContact CD1-CB 4.03Å; I108-F151 HydrophobicContact CD1-CD2 3.51Å; I108-F151 HydrophobicContact CD1-CE2 4.28Å; I108-F151 HydrophobicContact CD1-CG 3.99Å; V147-F151 WeakPolarHBondContact O-CB 3.35Å; V147-F151 PolarHBondContact O-N 2.87Å; Q148-F151 PolarHBondContact O-N 2.94Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 3.49Å; F151-S155 VanDerWaalsContact O-CB 3.23Å; F151-S155 WeakPolarHBondContact O-CB 3.49Å; F151-S155 PolarHBondContact O-N 3.13Å |
| 152 | E | 91.3 | Very high | 85.5 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 46% | 0.458 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 178.8 | -73.8 | 178.6 | -169.7 | 0 | 0 | 112 | Q148 E149 V150 S155 Q156 | Q148-E152 PolarHBondContact NE2-OE1 2.82Å; Q148-E152 WeakPolarHBondContact O-CG 3.45Å; Q148-E152 PolarHBondContact O-N 3.24Å; E149-E152 PolarHBondContact O-N 3.32Å; V150-E152 PolarHBondContact O-N 3.09Å; E152-S155 PolarHBondContact O-N 2.77Å; E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 3.06Å |
| 153 | Q | 88.1 | Confident | 84 | Confident | 42 Ų | 42 | 60 Ų | 60 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 178.2 | -69.9 | 170.8 | -2.4 | 0 | 0 | 111.4 | E149 V150 S155 Q156 L157 Y179 | E149-Q153 WeakPolarHBondContact O-CB 3.44Å; E149-Q153 VanDerWaalsContact O-CG 3.26Å; E149-Q153 WeakPolarHBondContact O-CG 3.42Å; E149-Q153 PolarHBondContact O-N 3.19Å; E149-Q153 PolarHBondContact OE1-NE2 3.47Å; V150-Q153 PolarHBondContact O-N 2.9Å; Q153-S155 VanDerWaalsContact C-N 3.32Å; Q153-S155 PolarHBondContact O-N 2.69Å; Q153-Q156 PolarHBondContact O-N 2.78Å; Q153-L157 WeakPolarHBondContact O-CG 3.34Å; Q153-L157 PolarHBondContact O-N 2.62Å; Q153-L157 VanDerWaalsContact O-N 3.1Å; Q153-Y179 HydrophobicContact CB-CE2 4.03Å; Q153-Y179 WeakPolarHBondContact CB-OH 3.31Å; Q153-Y179 VanDerWaalsContact CD-OH 3.25Å; Q153-Y179 PolarHBondContact OE1-OH 2.73Å |
| 154 | V | 89.2 | Confident | 82.4 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 176.2 | 179 | 0 | 0 | 0 | 0 | 111.2 | A69 T71 L83 V150 L157 T158 Y179 | A69-V154 HydrophobicContact CB-CG1 3.94Å; A69-V154 HydrophobicContact CB-CG2 3.91Å; T71-V154 HydrophobicContact CG2-CB 4.29Å; T71-V154 HydrophobicContact CG2-CG1 3.99Å; L83-V154 HydrophobicContact CD1-CB 4.23Å; L83-V154 HydrophobicContact CD1-CG1 4.24Å; L83-V154 HydrophobicContact CD1-CG2 4.2Å; V150-V154 HydrophobicContact CG1-CG2 4.01Å; V150-V154 WeakPolarHBondContact O-CB 3.39Å; V150-V154 WeakPolarHBondContact O-CG2 3.17Å; V150-V154 PolarHBondContact O-N 3.08Å; V154-L157 PolarHBondContact O-N 3.15Å; V154-T158 WeakPolarHBondContact O-CB 3.48Å; V154-T158 PolarHBondContact O-N 2.92Å; V154-T158 PolarHBondContact O-OG1 2.75Å; V154-Y179 HydrophobicContact CG2-CD1 4.44Å; V154-Y179 HydrophobicContact CG2-CD2 3.64Å; V154-Y179 HydrophobicContact CG2-CE2 4.38Å; V154-Y179 HydrophobicContact CG2-CG 3.7Å |
| 155 | S | 89.3 | Confident | 80.6 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.119 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 176.1 | -169.1 | 0 | 0 | 0 | 0 | 112.4 | T71 F151 E152 Q153 L157 T158 K159 | T71-S155 WeakPolarHBondContact OG1-CA 3.39Å; F151-S155 VanDerWaalsContact O-CB 3.23Å; F151-S155 WeakPolarHBondContact O-CB 3.49Å; F151-S155 PolarHBondContact O-N 3.13Å; E152-S155 PolarHBondContact O-N 2.77Å; Q153-S155 VanDerWaalsContact C-N 3.32Å; Q153-S155 PolarHBondContact O-N 2.69Å; S155-L157 VanDerWaalsContact C-N 3.32Å; S155-L157 PolarHBondContact O-N 2.92Å; S155-T158 PolarHBondContact O-N 3.45Å; S155-K159 WeakPolarHBondContact O-CG 3.49Å; S155-K159 PolarHBondContact O-N 3.46Å |
| 156 | Q | 84.7 | Confident | 79.4 | Confident | 137 Ų | 137 | 61.6 Ų | 61.6 | 64% | 0.64 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.8 | -43.1 | 175.3 | -70.6 | 176.4 | 8.1 | 0 | 0 | 111.4 | E152 Q153 S160 | E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 3.06Å; Q153-Q156 PolarHBondContact O-N 2.78Å; Q156-S160 WeakPolarHBondContact O-CB 3.46Å; Q156-S160 PolarHBondContact O-N 3.39Å; Q156-S160 VanDerWaalsContact O-N 3.1Å |
| 157 | L | 81.9 | Confident | 78.1 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 176.7 | -71.8 | 165.7 | 0 | 0 | 0 | 112.2 | Q153 V154 S155 K159 S160 S161 T177 Y179 | Q153-L157 WeakPolarHBondContact O-CG 3.34Å; Q153-L157 PolarHBondContact O-N 2.62Å; Q153-L157 VanDerWaalsContact O-N 3.1Å; V154-L157 PolarHBondContact O-N 3.15Å; S155-L157 VanDerWaalsContact C-N 3.32Å; S155-L157 PolarHBondContact O-N 2.92Å; L157-K159 PolarHBondContact O-N 3.03Å; L157-S160 PolarHBondContact O-N 3.08Å; L157-S160 PolarHBondContact O-OG 3.35Å; L157-S161 PolarHBondContact O-N 3.49Å; L157-T177 WeakPolarHBondContact CD1-O 3.37Å; L157-Y179 HydrophobicContact CD1-CD2 3.69Å; L157-Y179 HydrophobicContact CD1-CE2 3.49Å; L157-Y179 VanDerWaalsContact CD1-CE2 3.49Å |
| 158 | T | 83.8 | Confident | 76.8 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | -178.8 | -49.5 | 0 | 0 | 0 | 0 | 111.6 | T71 S73 V154 S155 S160 S161 | T71-T158 PolarHBondContact N-OG1 3.36Å; T71-T158 VanDerWaalsContact N-OG1 3.17Å; T71-T158 WeakPolarHBondContact OG1-CB 3.41Å; T71-T158 PolarHBondContact OG1-OG1 2.68Å; S73-T158 WeakPolarHBondContact OG-CG2 3.34Å; V154-T158 WeakPolarHBondContact O-CB 3.48Å; V154-T158 PolarHBondContact O-N 2.92Å; V154-T158 PolarHBondContact O-OG1 2.75Å; S155-T158 PolarHBondContact O-N 3.45Å; T158-S160 VanDerWaalsContact C-N 3.32Å; T158-S160 PolarHBondContact O-N 3.07Å; T158-S161 PolarHBondContact O-OG 2.83Å |
| 159 | K | 81.6 | Confident | 75.5 | Confident | 132 Ų | 132 | 66.9 Ų | 66.9 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.7 | -36.5 | 175.9 | -71.5 | 171.4 | -177.1 | 168.6 | 0 | 111.9 | S155 L157 S161 T162 | S155-K159 WeakPolarHBondContact O-CG 3.49Å; S155-K159 PolarHBondContact O-N 3.46Å; L157-K159 PolarHBondContact O-N 3.03Å; K159-S161 PolarHBondContact O-N 3.19Å; K159-T162 PolarHBondContact O-N 3.08Å; K159-T162 PolarHBondContact O-OG1 3.06Å |
| 160 | S | 72.1 | Confident | 74.3 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69 | -30.1 | -178.3 | 77.5 | 0 | 0 | 0 | 0 | 114.1 | Q156 L157 T158 N164 | Q156-S160 WeakPolarHBondContact O-CB 3.46Å; Q156-S160 PolarHBondContact O-N 3.39Å; Q156-S160 VanDerWaalsContact O-N 3.1Å; L157-S160 PolarHBondContact O-N 3.08Å; L157-S160 PolarHBondContact O-OG 3.35Å; T158-S160 VanDerWaalsContact C-N 3.32Å; T158-S160 PolarHBondContact O-N 3.07Å; S160-N164 PolarHBondContact O-ND2 3.09Å |
| 161 | S | 66.2 | Low | 73 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 63% | 0.629 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76.1 | -21.8 | -179 | 66.5 | 0 | 0 | 0 | 0 | 113.5 | L157 T158 K159 | L157-S161 PolarHBondContact O-N 3.49Å; T158-S161 PolarHBondContact O-OG 2.83Å; K159-S161 PolarHBondContact O-N 3.19Å |
| 162 | T | 65.4 | Low | 71.3 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -87.5 | -20.1 | -176.4 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | K159 | K159-T162 PolarHBondContact O-N 3.08Å; K159-T162 PolarHBondContact O-OG1 3.06Å |
| 163 | Q | 59.4 | Low | 70 | Confident | 165 Ų | 165 | 72.9 Ų | 72.9 | 77% | 0.771 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -107.7 | -6.8 | -166.5 | -66.8 | -160 | -9.9 | 0 | 0 | 117.3 | ||
| 164 | N | 55.8 | Low | 68.7 | Low | 70 Ų | 70 | 73.4 Ų | 73.4 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | trans | -122.9 | 140.1 | -163.7 | -68.3 | -39.6 | 0 | 0 | 0 | 116.1 | S160 R172 | S160-N164 PolarHBondContact O-ND2 3.09Å; N164-R172 PolarHBondContact ND2-NH1 3.2Å; N164-R172 VanDerWaalsContact ND2-NH1 3.14Å | ||
| 165 | S | 51.9 | Low | 67.4 | Low | 103 Ų | 103 | 77.2 Ų | 77.2 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | trans | -94.4 | 144.9 | -177.5 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | L167 S168 | S165-L167 PolarHBondContact O-N 3.02Å; S165-S168 PolarHBondContact O-N 3.46Å; S165-S168 PolarHBondContact O-OG 2.69Å; S165-S168 VanDerWaalsContact O-OG 3.14Å | ||
| 166 | G | 64.7 | Low | 66.3 | Low | 57 Ų | 57 | 78.4 Ų | 78.4 | 59% | 0.588 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -102.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | L170 | G166-L170 PolarHBondContact O-N 2.92Š|
| 167 | L | 60.1 | Low | 65.6 | Low | 133 Ų | 133 | 73.2 Ų | 73.2 | 70% | 0.696 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -77.6 | -37.4 | -171 | -168.4 | 69.8 | 0 | 0 | 0 | 112.9 | S165 A169 L170 T171 | S165-L167 PolarHBondContact O-N 3.02Å; L167-A169 PolarHBondContact O-N 3.39Å; L167-L170 PolarHBondContact O-N 3.36Å; L167-T171 PolarHBondContact O-N 2.74Å; L167-T171 PolarHBondContact O-OG1 3.22Å |
| 168 | S | 64.4 | Low | 65.5 | Low | 42 Ų | 42 | 71.7 Ų | 71.7 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.1 | -20.6 | 178.4 | 74.6 | 0 | 0 | 0 | 0 | 112.7 | S165 T171 R172 | S165-S168 PolarHBondContact O-N 3.46Å; S165-S168 PolarHBondContact O-OG 2.69Å; S165-S168 VanDerWaalsContact O-OG 3.14Å; S168-T171 PolarHBondContact O-OG1 3.33Å; S168-R172 WeakPolarHBondContact O-CB 3.49Å; S168-R172 WeakPolarHBondContact O-CG 3.37Å; S168-R172 PolarHBondContact O-N 3.17Å; S168-R172 PolarHBondContact O-NH1 3.4Å; S168-R172 VanDerWaalsContact O-NH1 3.09Å |
| 169 | A | 64.5 | Low | 65.6 | Low | 40 Ų | 40 | 71.5 Ų | 71.5 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.5 | -41.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L167 A173 | L167-A169 PolarHBondContact O-N 3.39Å; A169-A173 WeakPolarHBondContact O-CB 3.33Å; A169-A173 PolarHBondContact O-N 2.92Å |
| 170 | L | 63.3 | Low | 65.9 | Low | 107 Ų | 107 | 69.5 Ų | 69.5 | 56% | 0.56 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.5 | -47.7 | 177.4 | -69.4 | 174 | 0 | 0 | 0 | 112.5 | G166 L167 R172 A173 I174 | G166-L170 PolarHBondContact O-N 2.92Å; L167-L170 PolarHBondContact O-N 3.36Å; L170-R172 VanDerWaalsContact C-N 3.26Å; L170-R172 PolarHBondContact O-N 2.63Å; L170-A173 PolarHBondContact O-N 3.2Å; L170-A173 VanDerWaalsContact O-N 3.15Å; L170-I174 WeakPolarHBondContact O-CD1 3.31Å; L170-I174 VanDerWaalsContact O-CG1 3.24Å; L170-I174 WeakPolarHBondContact O-CG1 3.29Å; L170-I174 PolarHBondContact O-N 2.97Å |
| 171 | T | 63.2 | Low | 66.8 | Low | 81 Ų | 81 | 67.3 Ų | 67.3 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 178.9 | 54.2 | 0 | 0 | 0 | 0 | 112 | L167 S168 S175 | L167-T171 PolarHBondContact O-N 2.74Å; L167-T171 PolarHBondContact O-OG1 3.22Å; S168-T171 PolarHBondContact O-OG1 3.33Å; T171-S175 PolarHBondContact O-N 3.37Å; T171-S175 PolarHBondContact O-OG 3.42Å |
| 172 | R | 56.2 | Low | 68 | Low | 111 Ų | 111 | 65.5 Ų | 65.5 | 42% | 0.419 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.1 | -33.7 | 173.6 | -71.5 | -169.8 | -166.5 | 97.7 | -10.4 | 113.6 | N164 S168 L170 I174 S175 S176 | N164-R172 PolarHBondContact ND2-NH1 3.2Å; N164-R172 VanDerWaalsContact ND2-NH1 3.14Å; S168-R172 WeakPolarHBondContact O-CB 3.49Å; S168-R172 WeakPolarHBondContact O-CG 3.37Å; S168-R172 PolarHBondContact O-N 3.17Å; S168-R172 PolarHBondContact O-NH1 3.4Å; S168-R172 VanDerWaalsContact O-NH1 3.09Å; L170-R172 VanDerWaalsContact C-N 3.26Å; L170-R172 PolarHBondContact O-N 2.63Å; R172-I174 PolarHBondContact O-N 3.34Å; R172-S175 CarbonylContact O-C 3.59Å; R172-S175 PolarHBondContact O-N 3.02Å; R172-S175 PolarHBondContact O-OG 3.4Å; R172-S176 WeakPolarHBondContact O-CA 3.37Å; R172-S176 WeakPolarHBondContact O-CB 3.36Å; R172-S176 PolarHBondContact O-N 3.09Å; R172-S176 PolarHBondContact O-OG 3.46Å |
| 173 | A | 63.7 | Low | 69 | Low | 30 Ų | 30 | 63.3 Ų | 63.3 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.2 | -29.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | A169 L170 S176 S637 I639 | A169-A173 WeakPolarHBondContact O-CB 3.33Å; A169-A173 PolarHBondContact O-N 2.92Å; L170-A173 PolarHBondContact O-N 3.2Å; L170-A173 VanDerWaalsContact O-N 3.15Å; A173-S176 PolarHBondContact O-OG 3.26Å; A173-S176 VanDerWaalsContact O-OG 3.11Å; A173-S637 WeakPolarHBondContact O-CB 3.23Å; A173-S637 PolarHBondContact O-OG 2.83Å; A173-I639 HydrophobicContact CB-CD1 4.01Å |
| 174 | I | 60.6 | Low | 69.6 | Low | 52 Ų | 52 | 59 Ų | 59 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.5 | -42.5 | 170.8 | -63.5 | 159.8 | 0 | 0 | 0 | 110.3 | L170 R172 I639 V643 | L170-I174 WeakPolarHBondContact O-CD1 3.31Å; L170-I174 VanDerWaalsContact O-CG1 3.24Å; L170-I174 WeakPolarHBondContact O-CG1 3.29Å; L170-I174 PolarHBondContact O-N 2.97Å; R172-I174 PolarHBondContact O-N 3.34Å; I174-I639 HydrophobicContact CB-CG2 4.43Å; I174-I639 HydrophobicContact CG1-CB 4.5Å; I174-I639 HydrophobicContact CG1-CG2 3.56Å; I174-V643 HydrophobicContact CD1-CG2 4.05Å; I174-V643 HydrophobicContact CG1-CG2 4.03Å; I174-V643 HydrophobicContact CG2-CB 4.33Å; I174-V643 HydrophobicContact CG2-CG2 4.03Å |
| 175 | S | 62.4 | Low | 70.3 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 58% | 0.58 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -89.4 | -3.7 | -177.8 | 73.8 | 0 | 0 | 0 | 0 | 115 | T171 R172 | T171-S175 PolarHBondContact O-N 3.37Å; T171-S175 PolarHBondContact O-OG 3.42Å; R172-S175 CarbonylContact O-C 3.59Å; R172-S175 PolarHBondContact O-N 3.02Å; R172-S175 PolarHBondContact O-OG 3.4Å |
| 176 | S | 65.6 | Low | 71.3 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 131.9 | -172.5 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | R172 A173 S637 | R172-S176 WeakPolarHBondContact O-CA 3.37Å; R172-S176 WeakPolarHBondContact O-CB 3.36Å; R172-S176 PolarHBondContact O-N 3.09Å; R172-S176 PolarHBondContact O-OG 3.46Å; A173-S176 PolarHBondContact O-OG 3.26Å; A173-S176 VanDerWaalsContact O-OG 3.11Å; S176-S637 WeakPolarHBondContact O-CB 3.26Å; S176-S637 PolarHBondContact O-N 3.29Å |
| 177 | T | 71.2 | Confident | 72.2 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 17% | 0.166 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.5 | 168.2 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | L157 R634 L635 K636 | L157-T177 WeakPolarHBondContact CD1-O 3.37Å; T177-R634 HydrophobicContact CG2-CG 4.45Å; T177-L635 CarbonylContact C-O 3.49Å; T177-L635 WeakPolarHBondContact CA-O 3.37Å; T177-K636 HydrophobicContact CG2-CG 4.25Å |
| 178 | G | 79.1 | Confident | 73.4 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 151.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | L635 | G178-L635 PolarHBondContact N-O 3.49Å; G178-L635 PolarHBondContact O-N 2.96Å |
| 179 | Y | 86 | Confident | 74.5 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 112.6 | 173.3 | -70.9 | -98.1 | 0 | 0 | 0 | 108 | E68 A69 V150 Q153 V154 L157 V632 H633 R634 | E68-Y179 CarbonylContact C-O 3.37Å; E68-Y179 VanDerWaalsContact CA-O 3.28Å; E68-Y179 WeakPolarHBondContact CA-O 3.26Å; A69-Y179 PolarHBondContact N-O 3.43Å; V150-Y179 HydrophobicContact CG1-CD1 4.28Å; Q153-Y179 HydrophobicContact CB-CE2 4.03Å; Q153-Y179 WeakPolarHBondContact CB-OH 3.31Å; Q153-Y179 VanDerWaalsContact CD-OH 3.25Å; Q153-Y179 PolarHBondContact OE1-OH 2.73Å; V154-Y179 HydrophobicContact CG2-CD1 4.44Å; V154-Y179 HydrophobicContact CG2-CD2 3.64Å; V154-Y179 HydrophobicContact CG2-CE2 4.38Å; V154-Y179 HydrophobicContact CG2-CG 3.7Å; L157-Y179 HydrophobicContact CD1-CD2 3.69Å; L157-Y179 HydrophobicContact CD1-CE2 3.49Å; L157-Y179 VanDerWaalsContact CD1-CE2 3.49Å; Y179-V632 HydrophobicContact CD1-CG1 3.74Å; Y179-V632 HydrophobicContact CG-CG1 4.4Å; Y179-H633 WeakPolarHBondContact CA-O 2.98Å; Y179-R634 HydrophobicContact CE1-CB 4.34Å; Y179-R634 HydrophobicContact CE1-CG 4.26Å |
| 180 | R | 88.6 | Confident | 75.6 | Confident | 90 Ų | 90 | 61.5 Ų | 61.5 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.5 | 178.3 | -170.8 | 179.5 | -172.8 | 121.1 | -2.3 | 109.8 | N66 C67 L182 V632 H633 L635 | N66-R180 PolarHBondContact OD1-NE 3.32Å; N66-R180 PolarHBondContact OD1-NH2 2.83Å; C67-R180 CarbonylContact O-C 3.57Å; C67-R180 WeakPolarHBondContact O-CA 3.39Å; R180-L182 HydrophobicContact CG-CD2 4.39Å; R180-V632 WeakPolarHBondContact O-CA 3.25Å; R180-H633 PolarHBondContact N-O 2.83Å; R180-H633 PolarHBondContact O-N 2.83Å; R180-L635 HydrophobicContact CB-CD1 3.81Å |
| 181 | L | 91.2 | Very high | 76.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.1 | 178 | -53.6 | 176.4 | 0 | 0 | 0 | 109.2 | I65 N66 C67 A69 C81 L83 I106 M630 V632 | I65-L181 HydrophobicContact CG2-CB 3.88Å; N66-L181 WeakPolarHBondContact CA-O 3.39Å; C67-L181 PolarHBondContact N-O 3.37Å; C67-L181 PolarHBondContact O-N 2.96Å; A69-L181 HydrophobicContact CB-CD1 3.83Å; A69-L181 HydrophobicContact CB-CD2 4.35Å; A69-L181 HydrophobicContact CB-CG 4Å; C81-L181 HydrophobicContact CB-CD1 3.67Å; L83-L181 HydrophobicContact CD2-CD1 4.08Å; I106-L181 HydrophobicContact CD1-CD1 3.39Å; L181-M630 HydrophobicContact CB-SD 4.21Å; L181-M630 HydrophobicContact CD2-SD 4.22Å; L181-V632 HydrophobicContact CD2-CB 4.09Å; L181-V632 HydrophobicContact CD2-CG1 3.84Å; L181-V632 HydrophobicContact CD2-CG2 3.37Å |
| 182 | L | 90.1 | Very high | 77 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.3 | 177.4 | -61.6 | 177.2 | 0 | 0 | 0 | 110 | I65 N66 R180 M630 S631 H633 | I65-L182 WeakPolarHBondContact O-CA 3.4Å; N66-L182 HydrophobicContact CB-CD2 3.97Å; N66-L182 WeakPolarHBondContact OD1-CD2 3.12Å; R180-L182 HydrophobicContact CG-CD2 4.39Å; L182-M630 WeakPolarHBondContact O-CA 3.22Å; L182-S631 PolarHBondContact N-O 2.96Å; L182-S631 PolarHBondContact O-N 2.83Å; L182-H633 VanDerWaalsContact CD1-CD2 3.43Å; L182-H633 WeakPolarHBondContact CD1-CD2 3.3Å |
| 183 | T | 86.7 | Confident | 77.8 | Confident | 19 Ų | 19 | 56 Ų | 56 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.1 | 169.6 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | S63 I65 Y139 S185 M630 | S63-T183 PolarHBondContact O-OG1 3.16Å; I65-T183 HydrophobicContact CB-CG2 3.89Å; I65-T183 HydrophobicContact CD1-CG2 4.49Å; I65-T183 HydrophobicContact CG1-CG2 4.41Å; I65-T183 PolarHBondContact N-OG1 2.79Å; I65-T183 PolarHBondContact O-N 2.9Å; I65-T183 VanDerWaalsContact O-N 3.08Å; I65-T183 PolarHBondContact O-OG1 2.84Å; Y139-T183 HydrophobicContact CE2-CG2 4.36Å; T183-S185 PolarHBondContact O-N 2.86Å; T183-M630 HydrophobicContact CG2-CE 3.3Å; T183-M630 HydrophobicContact CG2-CG 4.45Å |
| 184 | G | 71.8 | Confident | 78.5 | Confident | 75 Ų | 75 | 54.7 Ų | 54.7 | 77% | 0.773 | 33% | 0.329 | S | S | * | . | trans | -77.7 | 10.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 185 | S | 70.2 | Confident | 79.7 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 143 | -174.9 | -126.2 | 0 | 0 | 0 | 0 | 112.4 | Y139 T183 D624 | Y139-S185 PolarHBondContact OH-OG 3.06Å; T183-S185 PolarHBondContact O-N 2.86Å; S185-D624 VanDerWaalsContact CB-OD2 3.3Å; S185-D624 WeakPolarHBondContact CB-OD2 3.43Å; S185-D624 PolarHBondContact OG-OD2 2.81Å |
| 186 | L | 73.6 | Confident | 80.8 | Confident | 130 Ų | 130 | 52.2 Ų | 52.2 | 68% | 0.681 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 160.5 | 172 | -68.6 | 169.3 | 0 | 0 | 0 | 109.9 | S63 D624 | S63-L186 PolarHBondContact OG-O 3.15Å; L186-D624 PolarHBondContact N-OD2 2.76Å; L186-D624 VanDerWaalsContact N-OD2 3.08Å |
| 187 | V | 83 | Confident | 82 | Confident | 105 Ų | 105 | 50.4 Ų | 50.4 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 126.2 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | K189 | V187-K189 PolarHBondContact O-N 3.33Š|
| 188 | P | 85.5 | Confident | 83.1 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 132.2 | 176.9 | 23.7 | -35.5 | 0 | 0 | 0 | 110.7 | S63 Y622 | S63-P188 VanDerWaalsContact OG-CD 3.31Å; S63-P188 WeakPolarHBondContact OG-CD 3.26Å; P188-Y622 HydrophobicContact CB-CD1 4.29Å |
| 189 | K | 88.2 | Confident | 83.9 | Confident | 148 Ų | 148 | 48.3 Ų | 48.3 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | trans | -119.7 | 145.6 | 173.8 | -65.9 | -178.4 | -176.5 | 179 | 0 | 109.9 | V187 I191 Y622 S623 | V187-K189 PolarHBondContact O-N 3.33Å; K189-I191 PolarHBondContact O-N 3.24Å; K189-Y622 WeakPolarHBondContact O-CA 3.23Å; K189-S623 PolarHBondContact N-OG 2.91Å; K189-S623 PolarHBondContact O-N 3.41Å; K189-S623 PolarHBondContact O-OG 3.11Å | ||
| 190 | P | 88 | Confident | 84.4 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 51% | 0.506 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -55.5 | 134.2 | 168.3 | -23.6 | 33.3 | 0 | 0 | 0 | 110.8 | A192 V620 Y622 | P190-A192 PolarHBondContact O-N 3.38Å; P190-V620 HydrophobicContact CB-CG1 3.92Å; P190-Y622 HydrophobicContact CB-CE1 4.47Å; P190-Y622 HydrophobicContact CG-CD1 4.31Å; P190-Y622 HydrophobicContact CG-CE1 3.74Å |
| 191 | I | 83.8 | Confident | 84.8 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | trans | -74.5 | 111.1 | 173 | -60.1 | 174.5 | 0 | 0 | 0 | 107.1 | K189 D193 N194 L621 | K189-I191 PolarHBondContact O-N 3.24Å; I191-D193 VanDerWaalsContact C-N 3.31Å; I191-D193 PolarHBondContact O-N 3.08Å; I191-N194 HydrophobicContact CG2-CB 4.25Å; I191-L621 HydrophobicContact CD1-CB 4.08Å; I191-L621 PolarHBondContact N-O 2.85Å | ||
| 192 | A | 72.7 | Confident | 84.9 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -69.9 | -28.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P190 K569 | P190-A192 PolarHBondContact O-N 3.38Å; A192-K569 PolarHBondContact O-NZ 3.44Å |
| 193 | D | 72 | Confident | 85 | Confident | 84 Ų | 84 | 44 Ų | 44 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -117.1 | 62.1 | -172.4 | -74.2 | -19.5 | 0 | 0 | 0 | 109.5 | I191 Y195 | I191-D193 VanDerWaalsContact C-N 3.31Å; I191-D193 PolarHBondContact O-N 3.08Å; D193-Y195 HydrophobicContact CB-CE2 3.75Å; D193-Y195 VanDerWaalsContact O-CD2 3.22Å; D193-Y195 WeakPolarHBondContact O-CD2 3.41Å; D193-Y195 WeakPolarHBondContact O-CE2 3.08Å |
| 194 | N | 79.2 | Confident | 85 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | trans | -95.2 | 113.9 | -171.2 | -146.5 | 37.3 | 0 | 0 | 0 | 110.3 | I191 T510 L563 V619 L621 | I191-N194 HydrophobicContact CG2-CB 4.25Å; N194-T510 WeakPolarHBondContact OD1-CG2 3.4Å; N194-L563 HydrophobicContact CB-CB 4.44Å; N194-L563 PolarHBondContact O-N 3.19Å; N194-V619 PolarHBondContact ND2-O 3.37Å; N194-L621 WeakPolarHBondContact ND2-CB 3.47Å; N194-L621 VanDerWaalsContact ND2-CD1 3.35Å; N194-L621 WeakPolarHBondContact ND2-CD1 3.49Å; N194-L621 WeakPolarHBondContact ND2-CG 3.14Å | ||
| 195 | Y | 84.1 | Confident | 85.4 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.7 | -173.1 | -56.7 | -78.5 | 0 | 0 | 0 | 113.6 | D193 Q560 Y561 L563 | D193-Y195 HydrophobicContact CB-CE2 3.75Å; D193-Y195 VanDerWaalsContact O-CD2 3.22Å; D193-Y195 WeakPolarHBondContact O-CD2 3.41Å; D193-Y195 WeakPolarHBondContact O-CE2 3.08Å; Y195-Q560 HydrophobicContact CD1-CG 3.77Å; Y195-Q560 VanDerWaalsContact CE2-NE2 3.29Å; Y195-Q560 HydrophobicContact CG-CG 3.72Å; Y195-Y561 CarbonylContact C-O 3.57Å; Y195-Y561 WeakPolarHBondContact CA-O 3.45Å; Y195-Y561 WeakPolarHBondContact CB-O 3.24Å; Y195-L563 WeakPolarHBondContact O-CD1 3.08Å |
| 196 | V | 86.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130 | 172.2 | 64.4 | 0 | 0 | 0 | 0 | 106.8 | G269 Y561 L563 | V196-G269 WeakPolarHBondContact CG2-O 3.38Å; V196-Y561 HydrophobicContact CG1-CD2 4.19Å; V196-Y561 HydrophobicContact CG1-CG 4.43Å; V196-Y561 PolarHBondContact N-O 3.38Å; V196-Y561 PolarHBondContact O-N 3.45Å; V196-L563 HydrophobicContact CB-CD1 3.49Å; V196-L563 VanDerWaalsContact CB-CD1 3.49Å; V196-L563 HydrophobicContact CB-CG 4.33Å; V196-L563 HydrophobicContact CG1-CD1 4.07Å |
| 197 | L | 90.9 | Very high | 85.2 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 135 | 179.6 | -68.9 | 146.3 | 0 | 0 | 0 | 108.1 | Y218 G269 W513 I542 V558 V559 Q560 | L197-Y218 PolarHBondContact N-OH 3.46Å; L197-Y218 WeakPolarHBondContact O-CE1 3.35Å; L197-Y218 VanDerWaalsContact O-CZ 3.28Å; L197-Y218 PolarHBondContact O-OH 2.73Å; L197-G269 PolarHBondContact O-N 3.2Å; L197-W513 HydrophobicContact CD1-CE3 4.28Å; L197-W513 HydrophobicContact CD2-CE3 4.02Å; L197-W513 HydrophobicContact CD2-CZ3 4.37Å; L197-I542 HydrophobicContact CB-CD1 4.18Å; L197-I542 HydrophobicContact CB-CG2 4.19Å; L197-I542 HydrophobicContact CD1-CD1 3.5Å; L197-I542 VanDerWaalsContact CD1-CD1 3.5Å; L197-I542 HydrophobicContact CD1-CG2 4.19Å; L197-I542 HydrophobicContact CG-CD1 4.44Å; L197-V558 HydrophobicContact CB-CG1 4.29Å; L197-V558 HydrophobicContact CD2-CG1 3.74Å; L197-V559 CarbonylContact C-O 3.58Å; L197-V559 WeakPolarHBondContact CA-O 3.23Å; L197-Q560 HydrophobicContact CD2-CB 3.71Å; L197-Q560 HydrophobicContact CD2-CG 3.94Å; L197-Q560 HydrophobicContact CG-CG 4.46Å |
| 198 | N | 94.8 | Very high | 84.8 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.011 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.7 | 166.5 | -64.8 | -19.8 | 0 | 0 | 0 | 108.7 | L266 L267 T268 G269 G277 V558 V559 Y561 | N198-L266 HydrophobicContact CB-CD1 4.49Å; N198-L267 CarbonylContact C-O 3.48Å; N198-L267 VanDerWaalsContact CA-O 3.27Å; N198-L267 WeakPolarHBondContact CA-O 3.32Å; N198-T268 WeakPolarHBondContact OD1-CA 3.34Å; N198-G269 PolarHBondContact OD1-N 2.75Å; N198-G269 VanDerWaalsContact OD1-N 3.11Å; N198-G277 PolarHBondContact ND2-O 3.04Å; N198-V558 CarbonylContact O-C 3.51Å; N198-V558 WeakPolarHBondContact O-CA 3.3Å; N198-V559 PolarHBondContact N-O 2.94Å; N198-V559 PolarHBondContact O-N 3.45Å; N198-Y561 HydrophobicContact CB-CE2 4.06Å; N198-Y561 WeakPolarHBondContact ND2-CE2 3.47Å |
| 199 | I | 95.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121 | 174.9 | -48.2 | 172.9 | 0 | 0 | 0 | 106.8 | L267 I542 L545 E546 L549 V556 H557 V558 | I199-L267 HydrophobicContact CB-CB 4.16Å; I199-L267 HydrophobicContact CD1-CD1 4.36Å; I199-L267 PolarHBondContact N-O 3.01Å; I199-L267 PolarHBondContact O-N 3.26Å; I199-I542 HydrophobicContact CD1-CG2 4Å; I199-I542 WeakPolarHBondContact CD1-O 3.42Å; I199-I542 HydrophobicContact CG1-CG2 4.36Å; I199-L545 HydrophobicContact CD1-CB 3.63Å; I199-E546 HydrophobicContact CD1-CB 4.27Å; I199-L549 HydrophobicContact CG2-CD2 3.85Å; I199-V556 HydrophobicContact CG2-CG1 3.79Å; I199-H557 WeakPolarHBondContact CA-O 3.13Å; I199-V558 HydrophobicContact CG1-CG1 4.49Å; I199-V558 HydrophobicContact CG1-CG2 4.14Å; I199-V558 HydrophobicContact CG2-CG2 4.22Å |
| 200 | E | 95.9 | Very high | 84.8 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.6 | 179.3 | -176 | -179.6 | 157.1 | 0 | 0 | 108.8 | R202 V264 F265 L266 W281 V556 H557 | E200-R202 HydrophobicContact CG-CG 4.44Å; E200-R202 IonicContact OE1-CZ 2.87Å; E200-R202 IonicContact OE1-NE 3.34Å; E200-R202 PolarHBondContact OE1-NE 3.42Å; E200-R202 IonicContact OE1-NH2 3.44Å; E200-R202 PolarHBondContact OE1-NH2 3.46Å; E200-V264 HydrophobicContact CG-CG1 3.65Å; E200-F265 CarbonylContact C-O 3.53Å; E200-F265 WeakPolarHBondContact CA-O 3.47Å; E200-L266 HydrophobicContact CB-CD1 4.38Å; E200-W281 PolarHBondContact OE2-NE1 3.48Å; E200-V556 CarbonylContact O-C 3.59Å; E200-V556 VanDerWaalsContact O-CA 3.28Å; E200-V556 WeakPolarHBondContact O-CA 3.06Å; E200-H557 PolarHBondContact N-O 2.82Å; E200-H557 PolarHBondContact O-N 3.22Å |
| 201 | G | 96.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V264 F265 D555 | G201-V264 CarbonylContact O-C 3.57Å; G201-V264 WeakPolarHBondContact O-CA 3.41Å; G201-F265 PolarHBondContact N-O 3.39Å; G201-F265 PolarHBondContact O-N 3.46Å; G201-D555 CarbonylContact C-O 3.53Å; G201-D555 VanDerWaalsContact CA-O 3.31Å; G201-D555 WeakPolarHBondContact CA-O 3.34Å |
| 202 | R | 94.4 | Very high | 85.7 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.3 | 178.7 | -61.9 | -178 | 174.4 | 177.4 | 3.5 | 111 | E200 V264 V553 D555 | E200-R202 HydrophobicContact CG-CG 4.44Å; E200-R202 IonicContact OE1-CZ 2.87Å; E200-R202 IonicContact OE1-NE 3.34Å; E200-R202 PolarHBondContact OE1-NE 3.42Å; E200-R202 IonicContact OE1-NH2 3.44Å; E200-R202 PolarHBondContact OE1-NH2 3.46Å; R202-V264 HydrophobicContact CG-CG2 4.4Å; R202-V553 VanDerWaalsContact C-CG1 3.41Å; R202-V553 WeakPolarHBondContact O-CG1 3.29Å; R202-D555 HydrophobicContact CB-CB 4.26Å; R202-D555 PolarHBondContact N-O 3.03Å |
| 203 | L | 92.5 | Very high | 86.9 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.7 | 176.3 | -176.3 | 70.9 | 0 | 0 | 0 | 110.3 | I248 Y252 I263 F265 V553 | L203-I248 HydrophobicContact CD2-CB 4.32Å; L203-I248 HydrophobicContact CD2-CG2 3.67Å; L203-Y252 HydrophobicContact CD1-CG 4.47Å; L203-Y252 HydrophobicContact CD2-CD1 4.32Å; L203-Y252 HydrophobicContact CD2-CD2 4.02Å; L203-Y252 HydrophobicContact CD2-CE2 4.49Å; L203-Y252 HydrophobicContact CD2-CG 3.91Å; L203-Y252 HydrophobicContact CG-CD1 3.98Å; L203-Y252 HydrophobicContact CG-CE1 4.49Å; L203-Y252 HydrophobicContact CG-CG 4.01Å; L203-I263 PolarHBondContact N-O 2.82Å; L203-I263 PolarHBondContact O-N 2.84Å; L203-F265 HydrophobicContact CB-CE2 4.07Å; L203-F265 HydrophobicContact CD2-CE2 4.16Å; L203-V553 HydrophobicContact CB-CG1 4.19Å |
| 204 | G | 86.9 | Confident | 88.2 | Confident | 30 Ų | 30 | 38 Ų | 38 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 108 | -167.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 205 | K | 78.9 | Confident | 89.1 | Confident | 113 Ų | 113 | 37.9 Ų | 37.9 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | trans | -81.6 | 129.3 | -178.1 | -64 | -178.6 | -179.1 | 177.3 | 0 | 109.7 | S207 A208 | K205-S207 PolarHBondContact O-N 2.88Å; K205-A208 WeakPolarHBondContact O-CB 3.4Å; K205-A208 PolarHBondContact O-N 3.38Å | ||
| 206 | E | 70.3 | Confident | 89.8 | Confident | 150 Ų | 150 | 34.1 Ų | 34.1 | 70% | 0.701 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.2 | 174.4 | -169.7 | 173.7 | -164.1 | 0 | 0 | 112.6 | A208 | E206-A208 PolarHBondContact O-N 3.13Š|
| 207 | S | 70.8 | Confident | 90.3 | Very high | 106 Ų | 106 | 33.9 Ų | 33.9 | 74% | 0.741 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 11.9 | 174 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | K205 | K205-S207 PolarHBondContact O-N 2.88Š|
| 208 | A | 74.2 | Confident | 90.5 | Very high | 19 Ų | 19 | 34 Ų | 34 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | trans | -63.9 | 141.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K205 E206 S210 Q262 | K205-A208 WeakPolarHBondContact O-CB 3.4Å; K205-A208 PolarHBondContact O-N 3.38Å; E206-A208 PolarHBondContact O-N 3.13Å; A208-S210 VanDerWaalsContact C-N 3.29Å; A208-Q262 HydrophobicContact CB-CB 3.91Å | ||
| 209 | K | 80.2 | Confident | 90.5 | Very high | 193 Ų | 193 | 33.9 Ų | 33.9 | 84% | 0.839 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -79.2 | -14.9 | 179.2 | -66.4 | -176.4 | 177.6 | -178.7 | 0 | 113.2 | ||
| 210 | S | 92.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 34 Ų | 34 | 24% | 0.238 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 123.9 | -171.5 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | A208 Y261 Q262 T299 | A208-S210 VanDerWaalsContact C-N 3.29Å; S210-Y261 VanDerWaalsContact CB-CD1 3.45Å; S210-Y261 WeakPolarHBondContact O-CA 3.35Å; S210-Q262 PolarHBondContact O-N 2.98Å; S210-T299 WeakPolarHBondContact CB-OG1 3.32Å; S210-T299 PolarHBondContact OG-OG1 3.49Å |
| 211 | T | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.6 | -178.6 | -62.3 | 0 | 0 | 0 | 0 | 111 | I213 Q262 V264 L294 S297 V298 T299 | T211-I213 HydrophobicContact CG2-CG1 4.3Å; T211-Q262 CarbonylContact C-O 3.51Å; T211-Q262 VanDerWaalsContact CA-O 3.31Å; T211-Q262 WeakPolarHBondContact CA-O 3.44Å; T211-Q262 PolarHBondContact OG1-OE1 3.47Å; T211-V264 HydrophobicContact CG2-CG2 3.78Å; T211-L294 HydrophobicContact CG2-CD1 3.87Å; T211-S297 WeakPolarHBondContact CB-OG 3.24Å; T211-S297 PolarHBondContact N-O 3.03Å; T211-S297 PolarHBondContact OG1-OG 2.89Å; T211-V298 HydrophobicContact CG2-CG2 4.41Å; T211-V298 CarbonylContact O-C 3.57Å; T211-V298 WeakPolarHBondContact O-CA 3.37Å; T211-T299 PolarHBondContact O-N 3.3Å |
| 212 | I | 96.4 | Very high | 90 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129 | 172.4 | -64.3 | 165.5 | 0 | 0 | 0 | 108.3 | Y261 Q262 I263 V264 Q300 I302 F329 L465 | I212-Y261 HydrophobicContact CD1-CD1 3.89Å; I212-Y261 HydrophobicContact CD1-CE1 4.35Å; I212-Y261 HydrophobicContact CD1-CG 4.31Å; I212-Y261 HydrophobicContact CG1-CD1 4.34Å; I212-Q262 PolarHBondContact N-O 3.02Å; I212-I263 CarbonylContact O-C 3.5Å; I212-I263 WeakPolarHBondContact O-CA 3.23Å; I212-V264 PolarHBondContact O-N 2.8Å; I212-Q300 WeakPolarHBondContact CA-O 3.48Å; I212-I302 HydrophobicContact CG2-CD1 4.4Å; I212-F329 HydrophobicContact CD1-CE1 4.47Å; I212-F329 HydrophobicContact CD1-CE2 3.6Å; I212-F329 HydrophobicContact CD1-CZ 3.55Å; I212-F329 HydrophobicContact CG1-CE2 4.43Å; I212-F329 HydrophobicContact CG1-CZ 4.31Å; I212-L465 HydrophobicContact CD1-CD2 3.33Å |
| 213 | I | 98 | Very high | 90 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.1 | 178.6 | -53.8 | -179.6 | 0 | 0 | 0 | 108.4 | T211 V264 L266 W281 V298 Q300 V301 I302 | T211-I213 HydrophobicContact CG2-CG1 4.3Å; I213-V264 CarbonylContact C-O 3.54Å; I213-V264 WeakPolarHBondContact CA-O 3.3Å; I213-V264 HydrophobicContact CG1-CB 4.19Å; I213-L266 HydrophobicContact CG2-CB 4.08Å; I213-L266 HydrophobicContact CG2-CD2 4.33Å; I213-W281 HydrophobicContact CD1-CH2 3.62Å; I213-W281 HydrophobicContact CD1-CZ3 4.07Å; I213-V298 HydrophobicContact CD1-CG1 4.39Å; I213-V298 HydrophobicContact CD1-CG2 3.71Å; I213-V298 HydrophobicContact CG1-CG2 4.24Å; I213-Q300 PolarHBondContact N-O 3.02Å; I213-V301 HydrophobicContact CB-CB 4.4Å; I213-V301 HydrophobicContact CB-CG1 4.1Å; I213-V301 HydrophobicContact CB-CG2 4.14Å; I213-V301 HydrophobicContact CD1-CG2 4.16Å; I213-V301 HydrophobicContact CG1-CG2 4.42Å; I213-V301 HydrophobicContact CG2-CG1 4.23Å; I213-V301 CarbonylContact O-C 3.51Å; I213-V301 WeakPolarHBondContact O-CA 3.3Å; I213-I302 PolarHBondContact O-N 2.83Å |
| 214 | I | 98.5 | Very high | 90 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.9 | 170.3 | -60.1 | 174 | 0 | 0 | 0 | 106.9 | L241 L244 I248 I263 V264 F265 L266 I302 L304 L461 | I214-L241 HydrophobicContact CG2-CD1 4.23Å; I214-L241 HydrophobicContact CG2-CG 4.13Å; I214-L241 WeakPolarHBondContact O-CD1 3.47Å; I214-L244 HydrophobicContact CD1-CD1 4.32Å; I214-L244 HydrophobicContact CG2-CD1 4.39Å; I214-I248 HydrophobicContact CD1-CD1 4.4Å; I214-I263 HydrophobicContact CD1-CG2 4.17Å; I214-V264 PolarHBondContact N-O 3.29Å; I214-F265 HydrophobicContact CB-CD1 4.25Å; I214-F265 HydrophobicContact CD1-CD1 4.38Å; I214-F265 HydrophobicContact CD1-CE1 3.83Å; I214-L266 PolarHBondContact O-N 3.32Å; I214-I302 CarbonylContact C-O 3.59Å; I214-I302 WeakPolarHBondContact CA-O 3.03Å; I214-L304 HydrophobicContact CG2-CD1 3.8Å; I214-L304 HydrophobicContact CG2-CG 4.33Å; I214-L461 HydrophobicContact CD1-CD1 3.9Å |
| 215 | C | 98.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.2 | -168.3 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | L266 I302 C303 L304 E385 | C215-L266 VanDerWaalsContact CA-O 3.26Å; C215-L266 WeakPolarHBondContact CA-O 3.47Å; C215-L266 HydrophobicContact CB-CB 4.47Å; C215-I302 PolarHBondContact N-O 3.48Å; C215-C303 CarbonylContact O-C 3.55Å; C215-C303 VanDerWaalsContact O-CA 3.3Å; C215-C303 WeakPolarHBondContact O-CA 3.33Å; C215-L304 PolarHBondContact O-N 3.08Å; C215-E385 VanDerWaalsContact SG-CD 3.5Å; C215-E385 PolarHBondContact SG-OE1 3.15Å |
| 216 | A | 98.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 134.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V238 L241 L266 L267 T268 L304 | A216-V238 HydrophobicContact CB-CG2 4.3Å; A216-L241 HydrophobicContact CB-CB 4.32Å; A216-L241 HydrophobicContact CB-CD1 3.85Å; A216-L266 PolarHBondContact N-O 3.47Å; A216-L267 HydrophobicContact CB-CD2 4.37Å; A216-L267 WeakPolarHBondContact O-CA 3.29Å; A216-T268 PolarHBondContact O-N 3.43Å; A216-T268 VanDerWaalsContact O-N 3.08Å; A216-L304 HydrophobicContact CB-CB 4.34Å |
| 217 | H | 96.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 138.3 | 175.1 | 68.7 | 87 | 0 | 0 | 0 | 112.1 | D219 N234 T268 E305 | H217-D219 IonicContact CG-OD1 3.28Å; H217-D219 PolarHBondContact ND1-O 2.96Å; H217-D219 IonicContact ND1-OD1 3.83Å; H217-D219 PolarHBondContact ND1-OD1 3.36Å; H217-N234 WeakPolarHBondContact CE1-CB 3.38Å; H217-N234 WeakPolarHBondContact NE2-CB 3.14Å; H217-T268 CarbonylContact C-O 3.54Å; H217-T268 WeakPolarHBondContact CA-O 3.48Å; H217-T268 WeakPolarHBondContact CA-OG1 3.3Å; H217-T268 WeakPolarHBondContact CB-O 3.34Å; H217-T268 VanDerWaalsContact CB-OG1 3.32Å; H217-T268 WeakPolarHBondContact CB-OG1 3.42Å; H217-E305 IonicContact NE2-OE1 3.72Å |
| 218 | Y | 95.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 2% | 0.02 | 7% | 0.068 | C | C | . | . | trans | -102.2 | -2.6 | -173.7 | 66.5 | -99.4 | 0 | 0 | 0 | 114.7 | L197 L267 T268 G269 R504 L509 I542 L545 | L197-Y218 PolarHBondContact N-OH 3.46Å; L197-Y218 WeakPolarHBondContact O-CE1 3.35Å; L197-Y218 VanDerWaalsContact O-CZ 3.28Å; L197-Y218 PolarHBondContact O-OH 2.73Å; Y218-L267 HydrophobicContact CD1-CB 4.25Å; Y218-T268 WeakPolarHBondContact CD1-O 3.41Å; Y218-T268 VanDerWaalsContact CE1-O 3.3Å; Y218-T268 WeakPolarHBondContact CE1-O 3.38Å; Y218-T268 PolarHBondContact N-O 2.97Å; Y218-G269 VanDerWaalsContact CE1-N 3.32Å; Y218-R504 WeakPolarHBondContact O-CD 3.49Å; Y218-R504 PolarHBondContact O-NH1 2.77Å; Y218-L509 HydrophobicContact CD2-CD1 3.91Å; Y218-L509 HydrophobicContact CD2-CD2 4.41Å; Y218-L509 HydrophobicContact CE2-CD1 3.71Å; Y218-L509 HydrophobicContact CE2-CD2 4.28Å; Y218-L509 HydrophobicContact CE2-CG 4.39Å; Y218-I542 HydrophobicContact CE2-CD1 3.97Å; Y218-I542 HydrophobicContact CE2-CG1 3.89Å; Y218-L545 HydrophobicContact CG-CD1 4.29Å | ||
| 219 | D | 93.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | trans | -85.6 | 153.4 | 175.2 | 63.8 | -54.4 | 0 | 0 | 0 | 112.2 | H217 G270 G271 K272 L509 | H217-D219 IonicContact CG-OD1 3.28Å; H217-D219 PolarHBondContact ND1-O 2.96Å; H217-D219 IonicContact ND1-OD1 3.83Å; H217-D219 PolarHBondContact ND1-OD1 3.36Å; D219-G270 PolarHBondContact OD1-N 2.94Å; D219-G270 VanDerWaalsContact OD1-N 3.17Å; D219-G270 VanDerWaalsContact OD2-CA 3.24Å; D219-G270 WeakPolarHBondContact OD2-CA 3.24Å; D219-G270 PolarHBondContact OD2-N 2.97Å; D219-G271 WeakPolarHBondContact OD1-CA 3.49Å; D219-G271 PolarHBondContact OD1-N 2.85Å; D219-G271 PolarHBondContact OD2-N 3.36Å; D219-K272 WeakPolarHBondContact OD2-CG 3.44Å; D219-K272 PolarHBondContact OD2-N 2.95Å; D219-L509 HydrophobicContact CB-CD1 3.82Å | ||
| 220 | A | 93.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.008 | 3% | 0.027 | C | C | . | . | B | Isolated β-bridge | trans | -121.4 | 164.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A228 R504 S505 | A220-A228 HydrophobicContact CB-CB 4.35Å; A220-A228 WeakPolarHBondContact CB-O 3.29Å; A220-R504 HydrophobicContact CB-CB 4.08Å; A220-R504 PolarHBondContact N-O 2.85Å; A220-S505 WeakPolarHBondContact O-CA 3.35Å |
| 221 | I | 92.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 3 Ų | 3 | 2% | 0.021 | 2% | 0.016 | C | C | . | . | trans | -143.6 | 147.7 | 172.1 | -164.7 | 169.5 | 0 | 0 | 0 | 108.7 | Y51 K272 F273 Q413 | Y51-I221 HydrophobicContact CE1-CD1 4.28Å; I221-K272 HydrophobicContact CB-CB 3.84Å; I221-K272 HydrophobicContact CB-CG 3.84Å; I221-K272 HydrophobicContact CD1-CB 4.46Å; I221-K272 HydrophobicContact CG2-CB 3.67Å; I221-K272 HydrophobicContact CG2-CD 3.88Å; I221-K272 HydrophobicContact CG2-CG 3.61Å; I221-F273 HydrophobicContact CD1-CE1 4.13Å; I221-F273 HydrophobicContact CD1-CZ 4.12Å; I221-Q413 HydrophobicContact CG2-CB 3.88Å; I221-Q413 HydrophobicContact CG2-CG 3.63Å; I221-Q413 CarbonylContact O-C 3.55Å; I221-Q413 VanDerWaalsContact O-C 3.3Å; I221-Q413 VanDerWaalsContact O-CA 3.29Å; I221-Q413 WeakPolarHBondContact O-CA 3.4Å | ||
| 222 | S | 92.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.018 | C | C | . | . | trans | -157.6 | 173.1 | 171.1 | 76.5 | 0 | 0 | 0 | 0 | 110.8 | Q49 I224 A228 Q413 T415 | Q49-S222 WeakPolarHBondContact CB-O 3.42Å; S222-I224 PolarHBondContact O-N 2.88Å; S222-I224 PolarHBondContact OG-N 3.47Å; S222-I224 VanDerWaalsContact OG-N 3.1Å; S222-I224 PolarHBondContact OG-O 2.92Å; S222-A228 WeakPolarHBondContact OG-CB 3.24Å; S222-Q413 VanDerWaalsContact CA-O 3.3Å; S222-Q413 WeakPolarHBondContact CA-O 3.32Å; S222-T415 VanDerWaalsContact CB-OG1 3.28Å; S222-T415 WeakPolarHBondContact CB-OG1 3.15Å; S222-T415 PolarHBondContact OG-OG1 2.78Å | ||
| 223 | A | 93 | Very high | 94.1 | Very high | 2 Ų | 2 | 3.5 Ų | 3.5 | 2% | 0.017 | 2% | 0.019 | C | C | . | . | S | Bend | trans | -66.7 | -13.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | A48 Q49 E126 L129 L130 | A48-A223 CarbonylContact C-O 3.58Å; A48-A223 WeakPolarHBondContact CA-O 3.5Å; Q49-A223 WeakPolarHBondContact CB-O 3.25Å; Q49-A223 PolarHBondContact N-O 3.48Å; E126-A223 HydrophobicContact CB-CB 4.34Å; E126-A223 HydrophobicContact CG-CB 3.69Å; E126-A223 PolarHBondContact OE1-N 2.83Å; E126-A223 VanDerWaalsContact OE1-N 3.13Å; L129-A223 HydrophobicContact CB-CB 4.24Å; L129-A223 HydrophobicContact CD1-CB 4.41Å; L130-A223 HydrophobicContact CD2-CB 4.49Å; L130-A223 HydrophobicContact CG-CB 4.24Å |
| 224 | I | 93.8 | Very high | 94 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.019 | C | C | . | . | S | Bend | trans | -127.8 | 88.6 | -179.3 | -47.7 | 175.1 | 0 | 0 | 0 | 108.5 | Y46 L109 F140 S222 S226 L227 A228 T415 | Y46-I224 VanDerWaalsContact CB-CG2 3.45Å; Y46-I224 HydrophobicContact CG-CG2 4.27Å; L109-I224 HydrophobicContact CD1-CD1 4.23Å; F140-I224 HydrophobicContact CB-CD1 3.71Å; F140-I224 HydrophobicContact CB-CG1 4.45Å; F140-I224 HydrophobicContact CD1-CD1 3.7Å; F140-I224 HydrophobicContact CD1-CG1 4.45Å; F140-I224 HydrophobicContact CD2-CD1 3.59Å; F140-I224 HydrophobicContact CD2-CG1 3.53Å; F140-I224 HydrophobicContact CE1-CD1 4.16Å; F140-I224 HydrophobicContact CE2-CD1 4.06Å; F140-I224 HydrophobicContact CE2-CG1 3.75Å; F140-I224 HydrophobicContact CG-CD1 3.37Å; F140-I224 HydrophobicContact CG-CG1 3.91Å; F140-I224 HydrophobicContact CZ-CD1 4.31Å; F140-I224 HydrophobicContact CZ-CG1 4.29Å; S222-I224 PolarHBondContact O-N 2.88Å; S222-I224 PolarHBondContact OG-N 3.47Å; S222-I224 VanDerWaalsContact OG-N 3.1Å; S222-I224 PolarHBondContact OG-O 2.92Å; I224-S226 PolarHBondContact O-N 3.16Å; I224-S226 VanDerWaalsContact O-N 3.09Å; I224-L227 HydrophobicContact CB-CB 4.22Å; I224-L227 HydrophobicContact CB-CD1 4.35Å; I224-L227 HydrophobicContact CB-CG 4.45Å; I224-L227 HydrophobicContact CD1-CD1 4.1Å; I224-L227 HydrophobicContact CG2-CB 4.1Å; I224-L227 HydrophobicContact CG2-CD1 3.82Å; I224-L227 HydrophobicContact CG2-CG 3.84Å; I224-L227 CarbonylContact O-C 3.55Å; I224-L227 WeakPolarHBondContact O-CA 3.44Å; I224-L227 PolarHBondContact O-N 3.49Å; I224-A228 PolarHBondContact O-N 3.16Å; I224-T415 HydrophobicContact CD1-CG2 4.31Å |
| 225 | P | 91.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 3.4 Ų | 3.4 | 1% | 0.013 | 2% | 0.018 | C | C | . | . | G | 310 helix | trans | -55.3 | -34.4 | -171.4 | 18.1 | -32.6 | 0 | 0 | 0 | 114.3 | Q49 L227 A228 S505 Y508 A625 | Q49-P225 VanDerWaalsContact OE1-CB 3.25Å; P225-L227 PolarHBondContact O-N 3.45Å; P225-A228 WeakPolarHBondContact O-CB 3.45Å; P225-A228 PolarHBondContact O-N 2.71Å; P225-S505 WeakPolarHBondContact CB-OG 3.28Å; P225-S505 WeakPolarHBondContact O-CB 3.47Å; P225-Y508 HydrophobicContact CB-CE2 4.34Å; P225-A625 HydrophobicContact CB-CB 4.2Å; P225-A625 HydrophobicContact CG-CB 3.85Å |
| 226 | S | 90.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 3.4 Ų | 3.4 | 3% | 0.028 | 2% | 0.018 | C | C | . | . | G | 310 helix | trans | -70.1 | -9.1 | 176 | 41.7 | 0 | 0 | 0 | 0 | 114.5 | Y46 I224 P503 Y508 | Y46-S226 WeakPolarHBondContact CD1-OG 3.47Å; I224-S226 PolarHBondContact O-N 3.16Å; I224-S226 VanDerWaalsContact O-N 3.09Å; S226-P503 WeakPolarHBondContact O-CG 3.19Å; S226-Y508 WeakPolarHBondContact CB-OH 3.34Å |
| 227 | L | 91.4 | Very high | 93.7 | Very high | 10 Ų | 10 | 3.4 Ų | 3.4 | 5% | 0.052 | 2% | 0.018 | C | C | . | . | G | 310 helix | trans | -119.5 | 9.8 | 174.9 | -58.5 | 178.2 | 0 | 0 | 0 | 112.3 | Y46 I224 P225 Y229 T415 I419 | Y46-L227 HydrophobicContact CD1-CD1 4.42Å; Y46-L227 HydrophobicContact CD1-CD2 4.28Å; Y46-L227 HydrophobicContact CD1-CG 4.18Å; Y46-L227 HydrophobicContact CD2-CD1 4.37Å; Y46-L227 HydrophobicContact CE1-CD2 3.98Å; Y46-L227 HydrophobicContact CE1-CG 4.38Å; Y46-L227 HydrophobicContact CG-CD1 4.26Å; Y46-L227 HydrophobicContact CG-CG 4.48Å; I224-L227 HydrophobicContact CB-CB 4.22Å; I224-L227 HydrophobicContact CB-CD1 4.35Å; I224-L227 HydrophobicContact CB-CG 4.45Å; I224-L227 HydrophobicContact CD1-CD1 4.1Å; I224-L227 HydrophobicContact CG2-CB 4.1Å; I224-L227 HydrophobicContact CG2-CD1 3.82Å; I224-L227 HydrophobicContact CG2-CG 3.84Å; I224-L227 CarbonylContact O-C 3.55Å; I224-L227 WeakPolarHBondContact O-CA 3.44Å; I224-L227 PolarHBondContact O-N 3.49Å; P225-L227 PolarHBondContact O-N 3.45Å; L227-Y229 HydrophobicContact CD2-CE2 4.28Å; L227-Y229 VanDerWaalsContact O-CD2 3.26Å; L227-Y229 WeakPolarHBondContact O-CD2 3.33Å; L227-Y229 PolarHBondContact O-N 3.05Å; L227-T415 HydrophobicContact CB-CG2 3.59Å; L227-T415 HydrophobicContact CD1-CG2 4.17Å; L227-I419 HydrophobicContact CB-CD1 4.22Å; L227-I419 HydrophobicContact CD1-CD1 3.95Å; L227-I419 HydrophobicContact CD2-CD1 4.48Å; L227-I419 HydrophobicContact CG-CD1 4.45Å |
| 228 | A | 92.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 3.4 Ų | 3.4 | 2% | 0.017 | 2% | 0.018 | C | C | . | . | trans | -81.7 | 74.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A220 S222 I224 P225 R504 | A220-A228 HydrophobicContact CB-CB 4.35Å; A220-A228 WeakPolarHBondContact CB-O 3.29Å; S222-A228 WeakPolarHBondContact OG-CB 3.24Å; I224-A228 PolarHBondContact O-N 3.16Å; P225-A228 WeakPolarHBondContact O-CB 3.45Å; P225-A228 PolarHBondContact O-N 2.71Å; A228-R504 PolarHBondContact O-N 3.05Å | ||
| 229 | Y | 92.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 3.1 Ų | 3.1 | 10% | 0.098 | 2% | 0.017 | C | C | . | . | trans | -79.9 | -34.1 | 178 | -61.2 | -88.1 | 0 | 0 | 0 | 112.9 | L227 H441 T500 P503 R504 | L227-Y229 HydrophobicContact CD2-CE2 4.28Å; L227-Y229 VanDerWaalsContact O-CD2 3.26Å; L227-Y229 WeakPolarHBondContact O-CD2 3.33Å; L227-Y229 PolarHBondContact O-N 3.05Å; Y229-H441 HydrophobicContact CD1-CB 3.78Å; Y229-H441 AromaticContact CD1-CG 3.81Å; Y229-H441 HydrophobicContact CD2-CB 4.14Å; Y229-H441 AromaticContact CD2-CG 3.98Å; Y229-H441 AromaticContact CD2-ND1 3.8Å; Y229-H441 HydrophobicContact CE1-CB 4.13Å; Y229-H441 AromaticContact CE1-CD2 3.44Å; Y229-H441 VanDerWaalsContact CE1-CD2 3.44Å; Y229-H441 WeakPolarHBondContact CE1-CD2 3.44Å; Y229-H441 AromaticContact CE1-CG 3.63Å; Y229-H441 AromaticContact CE1-NE2 3.79Å; Y229-H441 HydrophobicContact CE2-CB 4.49Å; Y229-H441 AromaticContact CE2-CE1 3.6Å; Y229-H441 AromaticContact CE2-CG 3.84Å; Y229-H441 AromaticContact CE2-ND1 3.44Å; Y229-H441 WeakPolarHBondContact CE2-ND1 3.22Å; Y229-H441 HydrophobicContact CG-CB 3.77Å; Y229-H441 AromaticContact CG-CG 3.97Å; Y229-H441 AromaticContact CZ-CD2 3.57Å; Y229-H441 AromaticContact CZ-CE1 3.42Å; Y229-H441 VanDerWaalsContact CZ-CE1 3.42Å; Y229-H441 AromaticContact CZ-CG 3.65Å; Y229-H441 AromaticContact CZ-ND1 3.57Å; Y229-H441 AromaticContact CZ-NE2 3.43Å; Y229-H441 PolarHBondContact OH-CE1 2.93Å; Y229-H441 VanDerWaalsContact OH-CE1 3.3Å; Y229-H441 PolarHBondContact OH-NE2 2.89Å; Y229-T500 VanDerWaalsContact CD1-O 3.23Å; Y229-T500 WeakPolarHBondContact CD1-O 3.44Å; Y229-P503 HydrophobicContact CD1-CG 4.49Å; Y229-P503 HydrophobicContact CE1-CG 3.97Å; Y229-R504 VanDerWaalsContact O-CZ 3.23Å; Y229-R504 PolarHBondContact O-NE 3.45Å; Y229-R504 PolarHBondContact O-NH2 2.72Å | ||
| 230 | G | 92.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 3.1 Ų | 3.1 | 4% | 0.041 | 2% | 0.017 | C | C | . | . | trans | 65.7 | 37.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | D232 A233 N234 G235 D417 R504 | G230-D232 PolarHBondContact O-N 3.01Å; G230-A233 CarbonylContact O-C 3.52Å; G230-A233 PolarHBondContact O-N 3.1Å; G230-N234 PolarHBondContact O-N 3.16Å; G230-G235 PolarHBondContact O-N 3.42Å; G230-D417 CarbonylContact C-O 3.6Å; G230-D417 WeakPolarHBondContact CA-O 3.4Å; G230-D417 WeakPolarHBondContact CA-OD2 3.35Å; G230-D417 PolarHBondContact N-O 3.3Å; G230-R504 VanDerWaalsContact CA-NH2 3.34Å; G230-R504 PolarHBondContact O-NH2 3.09Å | ||
| 231 | A | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | I | π-helix | trans | -49.2 | -50.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G235 S236 D417 R442 V445 L496 T500 | A231-G235 CarbonylContact O-C 3.51Å; A231-G235 VanDerWaalsContact O-C 3.29Å; A231-G235 WeakPolarHBondContact O-CA 3.32Å; A231-G235 PolarHBondContact O-N 3.29Å; A231-S236 PolarHBondContact O-N 2.88Å; A231-D417 PolarHBondContact N-O 2.85Å; A231-D417 PolarHBondContact N-OD1 3.26Å; A231-D417 PolarHBondContact N-OD2 3.19Å; A231-R442 VanDerWaalsContact CB-O 3.23Å; A231-R442 WeakPolarHBondContact CB-O 3.39Å; A231-V445 HydrophobicContact CB-CG2 3.88Å; A231-L496 HydrophobicContact CB-CD1 4.49Å; A231-T500 HydrophobicContact CB-CG2 3.94Å |
| 232 | D | 93.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 2.9 Ų | 2.9 | 5% | 0.048 | 2% | 0.016 | C | C | . | . | I | π-helix | trans | -84.4 | -38.5 | 175.4 | -159.2 | 28.8 | 0 | 0 | 0 | 111.4 | G230 N234 S236 G306 L307 G308 S309 D417 V445 | G230-D232 PolarHBondContact O-N 3.01Å; D232-N234 WeakPolarHBondContact O-CA 3.48Å; D232-S236 PolarHBondContact O-OG 2.84Å; D232-S236 PolarHBondContact OD1-OG 2.83Å; D232-G306 VanDerWaalsContact O-CA 3.23Å; D232-G306 WeakPolarHBondContact O-CA 3.32Å; D232-G306 PolarHBondContact O-N 3.13Å; D232-L307 PolarHBondContact OD1-N 3.3Å; D232-G308 WeakPolarHBondContact OD1-CA 3.33Å; D232-G308 PolarHBondContact OD1-N 3.26Å; D232-S309 PolarHBondContact OD1-N 3.1Å; D232-S309 WeakPolarHBondContact OD2-CB 3.45Å; D232-D417 WeakPolarHBondContact CB-OD1 3.39Å; D232-D417 PolarHBondContact N-OD1 3.09Å; D232-D417 PolarHBondContact N-OD2 3.5Å; D232-V445 HydrophobicContact CB-CG2 3.57Å |
| 233 | A | 92.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 1% | 0.008 | 2% | 0.016 | C | C | . | . | I | π-helix | trans | -114.2 | 80.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G230 K272 W402 D417 | G230-A233 CarbonylContact O-C 3.52Å; G230-A233 PolarHBondContact O-N 3.1Å; A233-K272 WeakPolarHBondContact O-CE 3.49Å; A233-K272 PolarHBondContact O-NZ 2.61Å; A233-W402 HydrophobicContact CB-CH2 3.62Å; A233-W402 HydrophobicContact CB-CZ2 3.86Å; A233-D417 WeakPolarHBondContact CA-OD2 3.45Å; A233-D417 VanDerWaalsContact CB-OD2 3.27Å; A233-D417 WeakPolarHBondContact CB-OD2 3.27Å; A233-D417 PolarHBondContact N-OD2 2.9Å |
| 234 | N | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.015 | C | C | . | . | I | π-helix | cis | -131.3 | 45.5 | 6.4 | -173 | 31.8 | 0 | 0 | 0 | 113.3 | H217 G230 D232 S236 G237 V238 L304 E305 G306 | H217-N234 WeakPolarHBondContact CE1-CB 3.38Å; H217-N234 WeakPolarHBondContact NE2-CB 3.14Å; G230-N234 PolarHBondContact O-N 3.16Å; D232-N234 WeakPolarHBondContact O-CA 3.48Å; N234-S236 VanDerWaalsContact C-N 3.26Å; N234-S236 PolarHBondContact O-N 3.39Å; N234-G237 PolarHBondContact O-N 3Å; N234-G237 VanDerWaalsContact OD1-CA 3.3Å; N234-G237 WeakPolarHBondContact OD1-CA 3.21Å; N234-G237 PolarHBondContact OD1-N 3.48Å; N234-G237 VanDerWaalsContact OD1-N 3.08Å; N234-V238 WeakPolarHBondContact O-CG2 3.41Å; N234-V238 PolarHBondContact O-N 3.34Å; N234-L304 PolarHBondContact ND2-O 3.46Å; N234-E305 HydrophobicContact CB-CG 4.48Å; N234-E305 VanDerWaalsContact OD1-CA 3.25Å; N234-E305 WeakPolarHBondContact OD1-CA 3.27Å; N234-G306 PolarHBondContact OD1-N 3.27Å; N234-G306 VanDerWaalsContact OD1-N 3.11Å |
| 235 | G | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.015 | C | C | . | . | I | π-helix | trans | -60.5 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G230 A231 G237 V238 V239 | G230-G235 PolarHBondContact O-N 3.42Å; A231-G235 CarbonylContact O-C 3.51Å; A231-G235 VanDerWaalsContact O-C 3.29Å; A231-G235 WeakPolarHBondContact O-CA 3.32Å; A231-G235 PolarHBondContact O-N 3.29Å; G235-G237 PolarHBondContact O-N 3.36Å; G235-V238 WeakPolarHBondContact O-CB 3.37Å; G235-V238 PolarHBondContact O-N 2.88Å; G235-V239 WeakPolarHBondContact O-CG2 3.39Å; G235-V239 PolarHBondContact O-N 3.44Å |
| 236 | S | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | I | π-helix | trans | -58.8 | -45.5 | 177.9 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | A231 D232 N234 V238 V239 I240 L307 | A231-S236 PolarHBondContact O-N 2.88Å; D232-S236 PolarHBondContact O-OG 2.84Å; D232-S236 PolarHBondContact OD1-OG 2.83Å; N234-S236 VanDerWaalsContact C-N 3.26Å; N234-S236 PolarHBondContact O-N 3.39Å; S236-V238 VanDerWaalsContact C-N 3.34Å; S236-V238 PolarHBondContact O-N 3.24Å; S236-V239 PolarHBondContact O-N 3.22Å; S236-I240 WeakPolarHBondContact O-CG1 3.45Å; S236-I240 PolarHBondContact O-N 2.95Å; S236-L307 PolarHBondContact OG-N 3.35Å |
| 237 | G | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N234 G235 I240 L241 | N234-G237 PolarHBondContact O-N 3Å; N234-G237 VanDerWaalsContact OD1-CA 3.3Å; N234-G237 WeakPolarHBondContact OD1-CA 3.21Å; N234-G237 PolarHBondContact OD1-N 3.48Å; N234-G237 VanDerWaalsContact OD1-N 3.08Å; G235-G237 PolarHBondContact O-N 3.36Å; G237-I240 PolarHBondContact O-N 3.43Å; G237-L241 WeakPolarHBondContact O-CB 3.17Å; G237-L241 PolarHBondContact O-N 2.87Å |
| 238 | V | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.006 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.5 | 177 | 0 | 0 | 0 | 0 | 111 | A216 N234 G235 S236 I240 L241 L242 L267 I499 L545 | A216-V238 HydrophobicContact CB-CG2 4.3Å; N234-V238 WeakPolarHBondContact O-CG2 3.41Å; N234-V238 PolarHBondContact O-N 3.34Å; G235-V238 WeakPolarHBondContact O-CB 3.37Å; G235-V238 PolarHBondContact O-N 2.88Å; S236-V238 VanDerWaalsContact C-N 3.34Å; S236-V238 PolarHBondContact O-N 3.24Å; V238-I240 VanDerWaalsContact C-N 3.34Å; V238-I240 PolarHBondContact O-N 3.34Å; V238-L241 PolarHBondContact O-N 3.41Å; V238-L242 HydrophobicContact CG1-CD1 4.2Å; V238-L242 HydrophobicContact CG1-CG 4.37Å; V238-L242 WeakPolarHBondContact O-CG 3.38Å; V238-L242 PolarHBondContact O-N 3.04Å; V238-L267 HydrophobicContact CB-CD2 4.28Å; V238-L267 HydrophobicContact CG1-CD2 3.83Å; V238-L267 HydrophobicContact CG2-CD2 3.95Å; V238-I499 HydrophobicContact CB-CD1 3.94Å; V238-I499 HydrophobicContact CG1-CD1 3.51Å; V238-I499 HydrophobicContact CG1-CG1 4.26Å; V238-L545 HydrophobicContact CG1-CD2 3.8Å |
| 239 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -57 | -48.8 | 176.3 | 173 | 0 | 0 | 0 | 0 | 111 | G235 S236 L241 L242 E243 L450 T492 L495 L496 I499 | G235-V239 WeakPolarHBondContact O-CG2 3.39Å; G235-V239 PolarHBondContact O-N 3.44Å; S236-V239 PolarHBondContact O-N 3.22Å; V239-L241 VanDerWaalsContact C-N 3.33Å; V239-L241 PolarHBondContact O-N 3.49Å; V239-L242 PolarHBondContact O-N 3.23Å; V239-E243 VanDerWaalsContact O-CB 3.27Å; V239-E243 WeakPolarHBondContact O-CB 3.48Å; V239-E243 PolarHBondContact O-N 3.08Å; V239-L450 HydrophobicContact CB-CD2 3.9Å; V239-L450 HydrophobicContact CG1-CD2 3.63Å; V239-L450 HydrophobicContact CG1-CG 4.1Å; V239-L450 HydrophobicContact CG2-CD2 4.14Å; V239-T492 HydrophobicContact CG1-CG2 4.17Å; V239-L495 HydrophobicContact CB-CB 4.39Å; V239-L495 HydrophobicContact CG1-CB 3.84Å; V239-L495 HydrophobicContact CG1-CD1 4.12Å; V239-L495 HydrophobicContact CG2-CB 3.98Å; V239-L496 HydrophobicContact CG2-CB 4.01Å; V239-L496 HydrophobicContact CG2-CD1 4.21Å; V239-I499 HydrophobicContact CB-CD1 4.47Å; V239-I499 HydrophobicContact CG2-CD1 3.51Å |
| 240 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 179.5 | -66 | 173.6 | 0 | 0 | 0 | 110 | S236 G237 V238 L242 E243 L244 L304 L307 L450 N453 I457 | S236-I240 WeakPolarHBondContact O-CG1 3.45Å; S236-I240 PolarHBondContact O-N 2.95Å; G237-I240 PolarHBondContact O-N 3.43Å; V238-I240 VanDerWaalsContact C-N 3.34Å; V238-I240 PolarHBondContact O-N 3.34Å; I240-L242 PolarHBondContact O-N 3.21Å; I240-E243 PolarHBondContact O-N 2.86Å; I240-L244 HydrophobicContact CG2-CD1 3.73Å; I240-L244 HydrophobicContact CG2-CG 4.05Å; I240-L244 WeakPolarHBondContact O-CB 3.38Å; I240-L244 WeakPolarHBondContact O-CG 3.11Å; I240-L244 PolarHBondContact O-N 3.32Å; I240-L304 HydrophobicContact CB-CD1 4.07Å; I240-L304 HydrophobicContact CG2-CD1 3.72Å; I240-L307 HydrophobicContact CD1-CB 3.39Å; I240-L307 HydrophobicContact CD1-CD1 3.57Å; I240-L307 HydrophobicContact CD1-CG 4.12Å; I240-L450 HydrophobicContact CD1-CD1 3.82Å; I240-L450 HydrophobicContact CG1-CD1 3.66Å; I240-L450 HydrophobicContact CG1-CG 4.46Å; I240-N453 HydrophobicContact CD1-CB 4.39Å; I240-I457 HydrophobicContact CD1-CD1 4.34Å; I240-I457 HydrophobicContact CG2-CD1 4Å |
| 241 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.9 | -49.3 | 178.1 | -176.4 | 155.5 | 0 | 0 | 0 | 111.8 | I214 A216 G237 V238 V239 E243 L244 A245 F265 L267 L304 | I214-L241 HydrophobicContact CG2-CD1 4.23Å; I214-L241 HydrophobicContact CG2-CG 4.13Å; I214-L241 WeakPolarHBondContact O-CD1 3.47Å; A216-L241 HydrophobicContact CB-CB 4.32Å; A216-L241 HydrophobicContact CB-CD1 3.85Å; G237-L241 WeakPolarHBondContact O-CB 3.17Å; G237-L241 PolarHBondContact O-N 2.87Å; V238-L241 PolarHBondContact O-N 3.41Å; V239-L241 VanDerWaalsContact C-N 3.33Å; V239-L241 PolarHBondContact O-N 3.49Å; L241-E243 VanDerWaalsContact C-N 3.33Å; L241-E243 PolarHBondContact O-N 3.41Å; L241-L244 PolarHBondContact O-N 3.27Å; L241-A245 WeakPolarHBondContact O-CB 3.06Å; L241-A245 PolarHBondContact O-N 3.15Å; L241-F265 HydrophobicContact CD2-CB 3.99Å; L241-F265 HydrophobicContact CD2-CD1 4.19Å; L241-F265 HydrophobicContact CG-CD1 4.26Å; L241-L267 HydrophobicContact CD1-CD2 3.88Å; L241-L267 HydrophobicContact CD1-CG 4.3Å; L241-L267 HydrophobicContact CD2-CD1 4.45Å; L241-L267 HydrophobicContact CD2-CD2 3.98Å; L241-L267 HydrophobicContact CD2-CG 4.02Å; L241-L267 HydrophobicContact CG-CD2 4.4Å; L241-L304 HydrophobicContact CB-CD1 4.1Å |
| 242 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 179.5 | -67.6 | -179.1 | 0 | 0 | 0 | 112.2 | V238 V239 I240 A245 R246 L267 L495 I499 L545 Y548 L549 | V238-L242 HydrophobicContact CG1-CD1 4.2Å; V238-L242 HydrophobicContact CG1-CG 4.37Å; V238-L242 WeakPolarHBondContact O-CG 3.38Å; V238-L242 PolarHBondContact O-N 3.04Å; V239-L242 PolarHBondContact O-N 3.23Å; I240-L242 PolarHBondContact O-N 3.21Å; L242-A245 WeakPolarHBondContact O-CB 3.4Å; L242-A245 PolarHBondContact O-N 2.95Å; L242-R246 PolarHBondContact O-N 2.7Å; L242-L267 HydrophobicContact CD2-CD1 4.16Å; L242-L495 HydrophobicContact CB-CD1 4.37Å; L242-L495 HydrophobicContact CD1-CD2 4.19Å; L242-I499 HydrophobicContact CD1-CD1 4.38Å; L242-L545 HydrophobicContact CD1-CD2 3.72Å; L242-Y548 HydrophobicContact CB-CD1 4.23Å; L242-Y548 HydrophobicContact CB-CE1 3.9Å; L242-Y548 HydrophobicContact CD1-CD1 4.08Å; L242-Y548 HydrophobicContact CD1-CE1 4.37Å; L242-Y548 HydrophobicContact CD2-CD1 3.96Å; L242-Y548 HydrophobicContact CD2-CE1 4.45Å; L242-Y548 HydrophobicContact CG-CD1 4.31Å; L242-Y548 HydrophobicContact CG-CE1 4.47Å; L242-L549 HydrophobicContact CD2-CD1 4.35Å |
| 243 | E | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.4 | -37.7 | 179.5 | -176.1 | 69.4 | 167.8 | 0 | 0 | 111.9 | V239 I240 L241 R246 L247 T454 S487 T491 L495 | V239-E243 VanDerWaalsContact O-CB 3.27Å; V239-E243 WeakPolarHBondContact O-CB 3.48Å; V239-E243 PolarHBondContact O-N 3.08Å; I240-E243 PolarHBondContact O-N 2.86Å; L241-E243 VanDerWaalsContact C-N 3.33Å; L241-E243 PolarHBondContact O-N 3.41Å; E243-R246 PolarHBondContact O-N 3.47Å; E243-R246 IonicContact OE1-CZ 3.42Å; E243-R246 IonicContact OE1-NE 3.59Å; E243-R246 IonicContact OE1-NH2 3.9Å; E243-R246 PolarHBondContact OE1-NH2 2.88Å; E243-R246 IonicContact OE2-CZ 2.74Å; E243-R246 IonicContact OE2-NE 2.69Å; E243-R246 PolarHBondContact OE2-NE 2.65Å; E243-R246 IonicContact OE2-NH2 3.71Å; E243-R246 PolarHBondContact OE2-NH2 2.92Å; E243-L247 HydrophobicContact CG-CD1 4.13Å; E243-L247 WeakPolarHBondContact O-CB 3.27Å; E243-L247 VanDerWaalsContact O-CG 3.25Å; E243-L247 WeakPolarHBondContact O-CG 3.38Å; E243-L247 PolarHBondContact O-N 2.88Å; E243-T454 HydrophobicContact CB-CG2 4Å; E243-T454 HydrophobicContact CG-CG2 3.49Å; E243-T454 VanDerWaalsContact CG-CG2 3.49Å; E243-S487 WeakPolarHBondContact CG-OG 3.29Å; E243-S487 WeakPolarHBondContact OE1-CA 3.1Å; E243-S487 WeakPolarHBondContact OE1-CB 3.46Å; E243-S487 PolarHBondContact OE1-OG 3.06Å; E243-T491 PolarHBondContact OE1-OG1 2.94Å; E243-L495 HydrophobicContact CB-CD1 4.32Å |
| 244 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 169.4 | -70.3 | 175 | 0 | 0 | 0 | 110.9 | I214 I240 L241 R246 L247 I248 F265 L304 T454 I457 L458 | I214-L244 HydrophobicContact CD1-CD1 4.32Å; I214-L244 HydrophobicContact CG2-CD1 4.39Å; I240-L244 HydrophobicContact CG2-CD1 3.73Å; I240-L244 HydrophobicContact CG2-CG 4.05Å; I240-L244 WeakPolarHBondContact O-CB 3.38Å; I240-L244 WeakPolarHBondContact O-CG 3.11Å; I240-L244 PolarHBondContact O-N 3.32Å; L241-L244 PolarHBondContact O-N 3.27Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 2.85Å; L244-L247 PolarHBondContact O-N 2.87Å; L244-I248 HydrophobicContact CB-CD1 4.32Å; L244-I248 VanDerWaalsContact O-CB 3.27Å; L244-I248 WeakPolarHBondContact O-CB 3.17Å; L244-I248 WeakPolarHBondContact O-CG1 3.33Å; L244-I248 PolarHBondContact O-N 3.34Å; L244-F265 HydrophobicContact CB-CE1 4.34Å; L244-L304 HydrophobicContact CD1-CD1 4.32Å; L244-T454 HydrophobicContact CD2-CG2 4.25Å; L244-T454 HydrophobicContact CG-CG2 4.47Å; L244-I457 HydrophobicContact CD1-CG2 3.76Å; L244-I457 HydrophobicContact CD2-CG2 4.43Å; L244-L458 HydrophobicContact CD2-CB 3.61Å; L244-L458 HydrophobicContact CD2-CD1 3.97Å; L244-L458 HydrophobicContact CD2-CG 4.3Å |
| 245 | A | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L241 L242 L247 S249 F265 L549 I552 V553 | L241-A245 WeakPolarHBondContact O-CB 3.06Å; L241-A245 PolarHBondContact O-N 3.15Å; L242-A245 WeakPolarHBondContact O-CB 3.4Å; L242-A245 PolarHBondContact O-N 2.95Å; A245-L247 PolarHBondContact O-N 3.15Å; A245-S249 WeakPolarHBondContact O-CB 3.32Å; A245-S249 PolarHBondContact O-N 2.82Å; A245-F265 VanDerWaalsContact CA-CE1 3.46Å; A245-F265 HydrophobicContact CB-CD1 3.74Å; A245-F265 HydrophobicContact CB-CD2 4.02Å; A245-F265 HydrophobicContact CB-CE1 3.7Å; A245-F265 HydrophobicContact CB-CE2 3.99Å; A245-F265 HydrophobicContact CB-CG 3.91Å; A245-F265 HydrophobicContact CB-CZ 3.85Å; A245-L549 HydrophobicContact CB-CD1 3.86Å; A245-I552 HydrophobicContact CB-CG2 4.37Å; A245-I552 WeakPolarHBondContact O-CG2 3.44Å; A245-V553 HydrophobicContact CB-CG2 4.32Å |
| 246 | R | 96.6 | Very high | 93.8 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.1 | -47.7 | 176.9 | -167.5 | -176.8 | 62.5 | 75.8 | -2.5 | 112.6 | L242 E243 L244 R250 W486 I552 | L242-R246 PolarHBondContact O-N 2.7Å; E243-R246 PolarHBondContact O-N 3.47Å; E243-R246 IonicContact OE1-CZ 3.42Å; E243-R246 IonicContact OE1-NE 3.59Å; E243-R246 IonicContact OE1-NH2 3.9Å; E243-R246 PolarHBondContact OE1-NH2 2.88Å; E243-R246 IonicContact OE2-CZ 2.74Å; E243-R246 IonicContact OE2-NE 2.69Å; E243-R246 PolarHBondContact OE2-NE 2.65Å; E243-R246 IonicContact OE2-NH2 3.71Å; E243-R246 PolarHBondContact OE2-NH2 2.92Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 2.85Å; R246-R250 PolarHBondContact O-N 3.08Å; R246-W486 PolarHBondContact NH2-O 3.37Å; R246-I552 VanDerWaalsContact CA-CG2 3.46Å; R246-I552 HydrophobicContact CB-CD1 3.96Å; R246-I552 HydrophobicContact CB-CG2 4.38Å; R246-I552 HydrophobicContact CG-CD1 4.18Å |
| 247 | L | 96.1 | Very high | 93 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.2 | -42.6 | -174.6 | -70.2 | 171.6 | 0 | 0 | 0 | 112.3 | E243 L244 A245 L251 L458 W486 | E243-L247 HydrophobicContact CG-CD1 4.13Å; E243-L247 WeakPolarHBondContact O-CB 3.27Å; E243-L247 VanDerWaalsContact O-CG 3.25Å; E243-L247 WeakPolarHBondContact O-CG 3.38Å; E243-L247 PolarHBondContact O-N 2.88Å; L244-L247 PolarHBondContact O-N 2.87Å; A245-L247 PolarHBondContact O-N 3.15Å; L247-L251 PolarHBondContact O-N 2.81Å; L247-L458 HydrophobicContact CB-CD2 3.81Å; L247-L458 HydrophobicContact CD1-CD2 3.57Å; L247-L458 HydrophobicContact CG-CD2 4.25Å; L247-W486 HydrophobicContact CD1-CB 4.45Å; L247-W486 HydrophobicContact CD2-CB 3.99Å; L247-W486 WeakPolarHBondContact CD2-O 3.18Å |
| 248 | I | 94.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.8 | -40.4 | 179.7 | -62.9 | 171.1 | 0 | 0 | 0 | 110.6 | L203 I214 L244 R250 L251 Y252 I263 F265 L458 L461 | L203-I248 HydrophobicContact CD2-CB 4.32Å; L203-I248 HydrophobicContact CD2-CG2 3.67Å; I214-I248 HydrophobicContact CD1-CD1 4.4Å; L244-I248 HydrophobicContact CB-CD1 4.32Å; L244-I248 VanDerWaalsContact O-CB 3.27Å; L244-I248 WeakPolarHBondContact O-CB 3.17Å; L244-I248 WeakPolarHBondContact O-CG1 3.33Å; L244-I248 PolarHBondContact O-N 3.34Å; I248-R250 VanDerWaalsContact C-N 3.28Å; I248-R250 PolarHBondContact O-N 3.34Å; I248-L251 WeakPolarHBondContact O-CA 3.42Å; I248-L251 WeakPolarHBondContact O-CB 3.49Å; I248-L251 PolarHBondContact O-N 3.06Å; I248-Y252 HydrophobicContact CG2-CD2 3.68Å; I248-Y252 HydrophobicContact CG2-CE2 3.61Å; I248-Y252 WeakPolarHBondContact O-CD2 3.31Å; I248-Y252 PolarHBondContact O-N 2.84Å; I248-I263 HydrophobicContact CD1-CD1 4.39Å; I248-I263 HydrophobicContact CG2-CD1 3.59Å; I248-F265 HydrophobicContact CB-CZ 4.4Å; I248-F265 HydrophobicContact CD1-CE1 4.49Å; I248-F265 HydrophobicContact CD1-CZ 4.2Å; I248-L458 HydrophobicContact CD1-CD1 4.16Å; I248-L458 HydrophobicContact CG1-CD1 3.7Å; I248-L461 HydrophobicContact CD1-CD1 4.46Å |
| 249 | S | 94 | Very high | 91.2 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.9 | -45.6 | 174.4 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | A245 L251 Y252 A253 I552 | A245-S249 WeakPolarHBondContact O-CB 3.32Å; A245-S249 PolarHBondContact O-N 2.82Å; S249-L251 VanDerWaalsContact C-N 3.26Å; S249-L251 PolarHBondContact O-N 3.08Å; S249-Y252 CarbonylContact O-C 3.58Å; S249-Y252 PolarHBondContact O-N 2.7Å; S249-Y252 VanDerWaalsContact O-N 3.09Å; S249-A253 PolarHBondContact O-N 3.23Å; S249-I552 VanDerWaalsContact CB-O 3.23Å; S249-I552 WeakPolarHBondContact CB-O 3.42Å; S249-I552 PolarHBondContact OG-O 3.28Å |
| 250 | R | 92.8 | Very high | 90.5 | Very high | 143 Ų | 143 | 41.9 Ų | 41.9 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.1 | -31.1 | 176.5 | -173.7 | 164.8 | 60.1 | 164.2 | 1.3 | 113.4 | R246 I248 | R246-R250 PolarHBondContact O-N 3.08Å; I248-R250 VanDerWaalsContact C-N 3.28Å; I248-R250 PolarHBondContact O-N 3.34Å |
| 251 | L | 90.7 | Very high | 90.1 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.2 | -42.3 | 173.2 | -66.1 | 172.4 | 0 | 0 | 0 | 111.3 | L247 I248 S249 A253 N254 N257 L462 W486 | L247-L251 PolarHBondContact O-N 2.81Å; I248-L251 WeakPolarHBondContact O-CA 3.42Å; I248-L251 WeakPolarHBondContact O-CB 3.49Å; I248-L251 PolarHBondContact O-N 3.06Å; S249-L251 VanDerWaalsContact C-N 3.26Å; S249-L251 PolarHBondContact O-N 3.08Å; L251-A253 VanDerWaalsContact C-N 3.29Å; L251-A253 PolarHBondContact O-N 3.41Å; L251-N254 PolarHBondContact O-N 3.03Å; L251-N257 VanDerWaalsContact O-CB 3.29Å; L251-N257 WeakPolarHBondContact O-CB 3.49Å; L251-L462 HydrophobicContact CD1-CD1 4.05Å; L251-L462 HydrophobicContact CD1-CD2 3.51Å; L251-L462 HydrophobicContact CD1-CG 4.45Å; L251-W486 HydrophobicContact CD1-CZ3 4.44Å; L251-W486 HydrophobicContact CD2-CH2 4.27Å |
| 252 | Y | 89.3 | Confident | 89.8 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.2 | -23.2 | 178.8 | -88.2 | -116.8 | 0 | 0 | 0 | 113.7 | L203 I248 S249 N254 K258 L259 Y261 I263 | L203-Y252 HydrophobicContact CD1-CG 4.47Å; L203-Y252 HydrophobicContact CD2-CD1 4.32Å; L203-Y252 HydrophobicContact CD2-CD2 4.02Å; L203-Y252 HydrophobicContact CD2-CE2 4.49Å; L203-Y252 HydrophobicContact CD2-CG 3.91Å; L203-Y252 HydrophobicContact CG-CD1 3.98Å; L203-Y252 HydrophobicContact CG-CE1 4.49Å; L203-Y252 HydrophobicContact CG-CG 4.01Å; I248-Y252 HydrophobicContact CG2-CD2 3.68Å; I248-Y252 HydrophobicContact CG2-CE2 3.61Å; I248-Y252 WeakPolarHBondContact O-CD2 3.31Å; I248-Y252 PolarHBondContact O-N 2.84Å; S249-Y252 CarbonylContact O-C 3.58Å; S249-Y252 PolarHBondContact O-N 2.7Å; S249-Y252 VanDerWaalsContact O-N 3.09Å; Y252-N254 PolarHBondContact O-N 3.02Å; Y252-K258 HydrophobicContact CD1-CG 4.46Å; Y252-L259 HydrophobicContact CE2-CB 4.32Å; Y252-L259 HydrophobicContact CE2-CD1 3.87Å; Y252-Y261 PolarHBondContact OH-O 3.1Å; Y252-I263 HydrophobicContact CE2-CD1 3.92Å; Y252-I263 WeakPolarHBondContact OH-CD1 3.28Å |
| 253 | A | 88.4 | Confident | 89.7 | Confident | 84 Ų | 84 | 44 Ų | 44 | 69% | 0.694 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S249 L251 | S249-A253 PolarHBondContact O-N 3.23Å; L251-A253 VanDerWaalsContact C-N 3.29Å; L251-A253 PolarHBondContact O-N 3.41Å |
| 254 | N | 86.9 | Confident | 89.6 | Confident | 80 Ų | 80 | 44 Ų | 44 | 43% | 0.428 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -93.7 | 115.1 | 173 | -174.9 | 0.8 | 0 | 0 | 0 | 110.1 | L251 Y252 A256 N257 K258 | L251-N254 PolarHBondContact O-N 3.03Å; Y252-N254 PolarHBondContact O-N 3.02Å; N254-A256 PolarHBondContact O-N 3.2Å; N254-A256 VanDerWaalsContact O-N 3.12Å; N254-A256 PolarHBondContact OD1-N 3.25Å; N254-N257 HydrophobicContact CB-CB 4.32Å; N254-N257 PolarHBondContact O-N 2.87Å; N254-K258 PolarHBondContact O-N 3.3Å |
| 255 | E | 80.8 | Confident | 89.6 | Confident | 126 Ų | 126 | 44 Ų | 44 | 59% | 0.589 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -56.7 | -29.6 | 179.2 | -72.6 | -67 | 147.4 | 0 | 0 | 113.1 | N257 K258 | E255-N257 PolarHBondContact O-N 2.72Å; E255-K258 WeakPolarHBondContact O-CB 3.42Å; E255-K258 PolarHBondContact O-N 3.3Å; E255-K258 IonicContact OE1-NZ 3.49Å; E255-K258 PolarHBondContact OE1-NZ 3.25Å; E255-K258 WeakPolarHBondContact OE2-CD 3.19Å; E255-K258 IonicContact OE2-NZ 3.63Å; E255-K258 PolarHBondContact OE2-NZ 3.33Å |
| 256 | A | 81.3 | Confident | 89.7 | Confident | 86 Ų | 86 | 44 Ų | 44 | 71% | 0.711 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -65.3 | -26.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N254 | N254-A256 PolarHBondContact O-N 3.2Å; N254-A256 VanDerWaalsContact O-N 3.12Å; N254-A256 PolarHBondContact OD1-N 3.25Å |
| 257 | N | 80.1 | Confident | 89.7 | Confident | 57 Ų | 57 | 41.2 Ų | 41.2 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -99.1 | -3.3 | -179.3 | -67.3 | -17.4 | 0 | 0 | 0 | 112.1 | L251 N254 E255 L259 Y466 | L251-N257 VanDerWaalsContact O-CB 3.29Å; L251-N257 WeakPolarHBondContact O-CB 3.49Å; N254-N257 HydrophobicContact CB-CB 4.32Å; N254-N257 PolarHBondContact O-N 2.87Å; E255-N257 PolarHBondContact O-N 2.72Å; N257-L259 PolarHBondContact O-N 3.44Å; N257-L259 VanDerWaalsContact O-N 3.17Å; N257-Y466 PolarHBondContact O-OH 2.95Å |
| 258 | K | 77.5 | Confident | 89.7 | Confident | 68 Ų | 68 | 41.1 Ų | 41.1 | 30% | 0.296 | 23% | 0.229 | S | C | . | . | trans | -67 | 116.4 | -172.4 | -166.7 | 170.7 | -168 | 162.3 | 0 | 110.6 | Y252 N254 E255 | Y252-K258 HydrophobicContact CD1-CG 4.46Å; N254-K258 PolarHBondContact O-N 3.3Å; E255-K258 WeakPolarHBondContact O-CB 3.42Å; E255-K258 PolarHBondContact O-N 3.3Å; E255-K258 IonicContact OE1-NZ 3.49Å; E255-K258 PolarHBondContact OE1-NZ 3.25Å; E255-K258 WeakPolarHBondContact OE2-CD 3.19Å; E255-K258 IonicContact OE2-NZ 3.63Å; E255-K258 PolarHBondContact OE2-NZ 3.33Å | ||
| 259 | L | 78.8 | Confident | 89.7 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | trans | -82.9 | 155.4 | -176.5 | -70.7 | 161.9 | 0 | 0 | 0 | 111.5 | Y252 N257 Y261 L465 Y466 | Y252-L259 HydrophobicContact CE2-CB 4.32Å; Y252-L259 HydrophobicContact CE2-CD1 3.87Å; N257-L259 PolarHBondContact O-N 3.44Å; N257-L259 VanDerWaalsContact O-N 3.17Å; L259-Y261 HydrophobicContact CB-CD2 4.28Å; L259-Y261 PolarHBondContact O-N 3.21Å; L259-L465 HydrophobicContact CD1-CB 3.72Å; L259-L465 HydrophobicContact CD1-CD1 3.86Å; L259-L465 HydrophobicContact CD1-CG 4.31Å; L259-L465 HydrophobicContact CD2-CB 4.13Å; L259-L465 WeakPolarHBondContact CD2-O 3.27Å; L259-Y466 HydrophobicContact CD1-CD2 4.4Å; L259-Y466 HydrophobicContact CD1-CE1 4.42Å; L259-Y466 HydrophobicContact CD1-CE2 3.77Å; L259-Y466 HydrophobicContact CD2-CD1 3.52Å; L259-Y466 HydrophobicContact CD2-CD2 4.11Å; L259-Y466 HydrophobicContact CD2-CE1 3.35Å; L259-Y466 HydrophobicContact CD2-CE2 3.98Å; L259-Y466 HydrophobicContact CD2-CG 3.88Å; L259-Y466 HydrophobicContact CG-CD1 4.48Å; L259-Y466 HydrophobicContact CG-CE1 3.87Å; L259-Y466 HydrophobicContact CG-CE2 4.14Å | ||
| 260 | P | 84 | Confident | 89.5 | Confident | 96 Ų | 96 | 40.3 Ų | 40.3 | 62% | 0.623 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -77.3 | 22.2 | 175.7 | 34.9 | -37.4 | 0 | 0 | 0 | 113.4 | ||
| 261 | Y | 89.6 | Confident | 89.5 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 13% | 0.129 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.6 | -178.5 | -67.1 | -85.8 | 0 | 0 | 0 | 111 | S210 I212 Y252 L259 L465 | S210-Y261 VanDerWaalsContact CB-CD1 3.45Å; S210-Y261 WeakPolarHBondContact O-CA 3.35Å; I212-Y261 HydrophobicContact CD1-CD1 3.89Å; I212-Y261 HydrophobicContact CD1-CE1 4.35Å; I212-Y261 HydrophobicContact CD1-CG 4.31Å; I212-Y261 HydrophobicContact CG1-CD1 4.34Å; Y252-Y261 PolarHBondContact OH-O 3.1Å; L259-Y261 HydrophobicContact CB-CD2 4.28Å; L259-Y261 PolarHBondContact O-N 3.21Å; Y261-L465 HydrophobicContact CD1-CD2 4.28Å; Y261-L465 HydrophobicContact CD2-CD2 3.57Å; Y261-L465 HydrophobicContact CE1-CD2 4.49Å; Y261-L465 HydrophobicContact CE2-CD2 3.82Å; Y261-L465 HydrophobicContact CG-CD2 3.82Å |
| 262 | Q | 93.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.2 | 162 | -175.7 | 176.3 | 27.5 | 0 | 0 | 108.7 | A208 S210 T211 I212 V264 | A208-Q262 HydrophobicContact CB-CB 3.91Å; S210-Q262 PolarHBondContact O-N 2.98Å; T211-Q262 CarbonylContact C-O 3.51Å; T211-Q262 VanDerWaalsContact CA-O 3.31Å; T211-Q262 WeakPolarHBondContact CA-O 3.44Å; T211-Q262 PolarHBondContact OG1-OE1 3.47Å; I212-Q262 PolarHBondContact N-O 3.02Å; Q262-V264 HydrophobicContact CG-CG2 4.49Å |
| 263 | I | 95.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.2 | 177.4 | -60.3 | 171.9 | 0 | 0 | 0 | 108.2 | L203 I212 I214 I248 Y252 F265 L465 | L203-I263 PolarHBondContact N-O 2.82Å; L203-I263 PolarHBondContact O-N 2.84Å; I212-I263 CarbonylContact O-C 3.5Å; I212-I263 WeakPolarHBondContact O-CA 3.23Å; I214-I263 HydrophobicContact CD1-CG2 4.17Å; I248-I263 HydrophobicContact CD1-CD1 4.39Å; I248-I263 HydrophobicContact CG2-CD1 3.59Å; Y252-I263 HydrophobicContact CE2-CD1 3.92Å; Y252-I263 WeakPolarHBondContact OH-CD1 3.28Å; I263-F265 HydrophobicContact CB-CE2 4.36Å; I263-F265 HydrophobicContact CB-CZ 4.49Å; I263-F265 HydrophobicContact CG2-CD2 4.29Å; I263-F265 HydrophobicContact CG2-CE1 4.03Å; I263-F265 HydrophobicContact CG2-CE2 3.69Å; I263-F265 HydrophobicContact CG2-CZ 3.52Å; I263-L465 HydrophobicContact CD1-CD1 4.39Å |
| 264 | V | 96.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.7 | 177.5 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | E200 G201 R202 T211 I212 I213 I214 Q262 L294 | E200-V264 HydrophobicContact CG-CG1 3.65Å; G201-V264 CarbonylContact O-C 3.57Å; G201-V264 WeakPolarHBondContact O-CA 3.41Å; R202-V264 HydrophobicContact CG-CG2 4.4Å; T211-V264 HydrophobicContact CG2-CG2 3.78Å; I212-V264 PolarHBondContact O-N 2.8Å; I213-V264 CarbonylContact C-O 3.54Å; I213-V264 WeakPolarHBondContact CA-O 3.3Å; I213-V264 HydrophobicContact CG1-CB 4.19Å; I214-V264 PolarHBondContact N-O 3.29Å; Q262-V264 HydrophobicContact CG-CG2 4.49Å; V264-L294 HydrophobicContact CG2-CD1 4.33Å |
| 265 | F | 98.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 111.1 | 172 | -62.1 | -79.6 | 0 | 0 | 0 | 108.3 | E200 G201 L203 I214 L241 L244 A245 I248 I263 L549 V553 | E200-F265 CarbonylContact C-O 3.53Å; E200-F265 WeakPolarHBondContact CA-O 3.47Å; G201-F265 PolarHBondContact N-O 3.39Å; G201-F265 PolarHBondContact O-N 3.46Å; L203-F265 HydrophobicContact CB-CE2 4.07Å; L203-F265 HydrophobicContact CD2-CE2 4.16Å; I214-F265 HydrophobicContact CB-CD1 4.25Å; I214-F265 HydrophobicContact CD1-CD1 4.38Å; I214-F265 HydrophobicContact CD1-CE1 3.83Å; L241-F265 HydrophobicContact CD2-CB 3.99Å; L241-F265 HydrophobicContact CD2-CD1 4.19Å; L241-F265 HydrophobicContact CG-CD1 4.26Å; L244-F265 HydrophobicContact CB-CE1 4.34Å; A245-F265 VanDerWaalsContact CA-CE1 3.46Å; A245-F265 HydrophobicContact CB-CD1 3.74Å; A245-F265 HydrophobicContact CB-CD2 4.02Å; A245-F265 HydrophobicContact CB-CE1 3.7Å; A245-F265 HydrophobicContact CB-CE2 3.99Å; A245-F265 HydrophobicContact CB-CG 3.91Å; A245-F265 HydrophobicContact CB-CZ 3.85Å; I248-F265 HydrophobicContact CB-CZ 4.4Å; I248-F265 HydrophobicContact CD1-CE1 4.49Å; I248-F265 HydrophobicContact CD1-CZ 4.2Å; I263-F265 HydrophobicContact CB-CE2 4.36Å; I263-F265 HydrophobicContact CB-CZ 4.49Å; I263-F265 HydrophobicContact CG2-CD2 4.29Å; I263-F265 HydrophobicContact CG2-CE1 4.03Å; I263-F265 HydrophobicContact CG2-CE2 3.69Å; I263-F265 HydrophobicContact CG2-CZ 3.52Å; F265-L549 HydrophobicContact CB-CD1 4.36Å; F265-V553 HydrophobicContact CD2-CG2 4.15Å; F265-V553 HydrophobicContact CE2-CG2 4.4Å |
| 266 | L | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109.7 | -173.6 | -177.8 | 63.4 | 0 | 0 | 0 | 110.5 | N198 E200 I213 I214 C215 A216 T268 W281 F389 | N198-L266 HydrophobicContact CB-CD1 4.49Å; E200-L266 HydrophobicContact CB-CD1 4.38Å; I213-L266 HydrophobicContact CG2-CB 4.08Å; I213-L266 HydrophobicContact CG2-CD2 4.33Å; I214-L266 PolarHBondContact O-N 3.32Å; C215-L266 VanDerWaalsContact CA-O 3.26Å; C215-L266 WeakPolarHBondContact CA-O 3.47Å; C215-L266 HydrophobicContact CB-CB 4.47Å; A216-L266 PolarHBondContact N-O 3.47Å; L266-T268 HydrophobicContact CD1-CG2 4.26Å; L266-T268 HydrophobicContact CD2-CG2 3.91Å; L266-T268 HydrophobicContact CG-CG2 3.7Å; L266-W281 HydrophobicContact CD1-CD2 4.33Å; L266-W281 HydrophobicContact CD1-CG 4.12Å; L266-W281 HydrophobicContact CD2-CD2 3.83Å; L266-W281 HydrophobicContact CD2-CE3 4.02Å; L266-W281 HydrophobicContact CD2-CG 4.19Å; L266-W281 HydrophobicContact CD2-CZ3 4.47Å; L266-F389 HydrophobicContact CD2-CZ 4.24Å |
| 267 | L | 98 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.9 | 169.6 | -68.7 | 168.4 | 0 | 0 | 0 | 109.2 | N198 I199 A216 Y218 V238 L241 L242 L545 | N198-L267 CarbonylContact C-O 3.48Å; N198-L267 VanDerWaalsContact CA-O 3.27Å; N198-L267 WeakPolarHBondContact CA-O 3.32Å; I199-L267 HydrophobicContact CB-CB 4.16Å; I199-L267 HydrophobicContact CD1-CD1 4.36Å; I199-L267 PolarHBondContact N-O 3.01Å; I199-L267 PolarHBondContact O-N 3.26Å; A216-L267 HydrophobicContact CB-CD2 4.37Å; A216-L267 WeakPolarHBondContact O-CA 3.29Å; Y218-L267 HydrophobicContact CD1-CB 4.25Å; V238-L267 HydrophobicContact CB-CD2 4.28Å; V238-L267 HydrophobicContact CG1-CD2 3.83Å; V238-L267 HydrophobicContact CG2-CD2 3.95Å; L241-L267 HydrophobicContact CD1-CD2 3.88Å; L241-L267 HydrophobicContact CD1-CG 4.3Å; L241-L267 HydrophobicContact CD2-CD1 4.45Å; L241-L267 HydrophobicContact CD2-CD2 3.98Å; L241-L267 HydrophobicContact CD2-CG 4.02Å; L241-L267 HydrophobicContact CG-CD2 4.4Å; L242-L267 HydrophobicContact CD2-CD1 4.16Å; L267-L545 HydrophobicContact CD1-CB 4.26Å; L267-L545 HydrophobicContact CD1-CD1 4.42Å; L267-L545 HydrophobicContact CD1-CD2 4.38Å |
| 268 | T | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.2 | -175.5 | 59 | 0 | 0 | 0 | 0 | 111.7 | N198 A216 H217 Y218 L266 E385 | N198-T268 WeakPolarHBondContact OD1-CA 3.34Å; A216-T268 PolarHBondContact O-N 3.43Å; A216-T268 VanDerWaalsContact O-N 3.08Å; H217-T268 CarbonylContact C-O 3.54Å; H217-T268 WeakPolarHBondContact CA-O 3.48Å; H217-T268 WeakPolarHBondContact CA-OG1 3.3Å; H217-T268 WeakPolarHBondContact CB-O 3.34Å; H217-T268 VanDerWaalsContact CB-OG1 3.32Å; H217-T268 WeakPolarHBondContact CB-OG1 3.42Å; Y218-T268 WeakPolarHBondContact CD1-O 3.41Å; Y218-T268 VanDerWaalsContact CE1-O 3.3Å; Y218-T268 WeakPolarHBondContact CE1-O 3.38Å; Y218-T268 PolarHBondContact N-O 2.97Å; L266-T268 HydrophobicContact CD1-CG2 4.26Å; L266-T268 HydrophobicContact CD2-CG2 3.91Å; L266-T268 HydrophobicContact CG-CG2 3.7Å; T268-E385 PolarHBondContact OG1-OE1 3.02Å |
| 269 | G | 93 | Very high | 92.9 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -95.8 | 165.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112 | V196 L197 N198 Y218 G271 G277 | V196-G269 WeakPolarHBondContact CG2-O 3.38Å; L197-G269 PolarHBondContact O-N 3.2Å; N198-G269 PolarHBondContact OD1-N 2.75Å; N198-G269 VanDerWaalsContact OD1-N 3.11Å; Y218-G269 VanDerWaalsContact CE1-N 3.32Å; G269-G271 VanDerWaalsContact C-N 3.28Å; G269-G271 PolarHBondContact O-N 3.26Å; G269-G277 WeakPolarHBondContact O-CA 3.5Å; G269-G277 PolarHBondContact O-N 3.13Å |
| 270 | G | 91.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 11.1 Ų | 11.1 | 5% | 0.052 | 6% | 0.06 | C | C | . | . | trans | 64 | 29.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D219 K272 F273 F275 V276 | D219-G270 PolarHBondContact OD1-N 2.94Å; D219-G270 VanDerWaalsContact OD1-N 3.17Å; D219-G270 VanDerWaalsContact OD2-CA 3.24Å; D219-G270 WeakPolarHBondContact OD2-CA 3.24Å; D219-G270 PolarHBondContact OD2-N 2.97Å; G270-K272 PolarHBondContact O-N 3.31Å; G270-F273 CarbonylContact O-C 3.54Å; G270-F273 PolarHBondContact O-N 2.85Å; G270-F273 VanDerWaalsContact O-N 3.1Å; G270-F275 WeakPolarHBondContact O-CA 3.22Å; G270-F275 PolarHBondContact O-N 3.04Å; G270-V276 PolarHBondContact O-N 3.13Å; G270-V276 VanDerWaalsContact O-N 3.11Å | ||
| 271 | G | 92.3 | Very high | 94 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 4% | 0.041 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -40.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D219 G269 F273 F275 | D219-G271 WeakPolarHBondContact OD1-CA 3.49Å; D219-G271 PolarHBondContact OD1-N 2.85Å; D219-G271 PolarHBondContact OD2-N 3.36Å; G269-G271 VanDerWaalsContact C-N 3.28Å; G269-G271 PolarHBondContact O-N 3.26Å; G271-F273 PolarHBondContact O-N 2.77Å; G271-F275 WeakPolarHBondContact O-CD1 3.4Å; G271-F275 PolarHBondContact O-N 3.3Å; G271-F275 VanDerWaalsContact O-N 3.13Å |
| 272 | K | 91.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 5.1 Ų | 5.1 | 12% | 0.117 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -13.1 | 179.3 | -54.2 | -58.8 | -178.6 | 176.4 | 0 | 113.9 | D219 I221 A233 G270 R412 | D219-K272 WeakPolarHBondContact OD2-CG 3.44Å; D219-K272 PolarHBondContact OD2-N 2.95Å; I221-K272 HydrophobicContact CB-CB 3.84Å; I221-K272 HydrophobicContact CB-CG 3.84Å; I221-K272 HydrophobicContact CD1-CB 4.46Å; I221-K272 HydrophobicContact CG2-CB 3.67Å; I221-K272 HydrophobicContact CG2-CD 3.88Å; I221-K272 HydrophobicContact CG2-CG 3.61Å; A233-K272 WeakPolarHBondContact O-CE 3.49Å; A233-K272 PolarHBondContact O-NZ 2.61Å; G270-K272 PolarHBondContact O-N 3.31Å; K272-R412 VanDerWaalsContact CE-O 3.24Å; K272-R412 WeakPolarHBondContact CE-O 3.43Å; K272-R412 PolarHBondContact NZ-O 2.93Å |
| 273 | F | 91.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 6.2 Ų | 6.2 | 1% | 0.013 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 57.3 | 173 | -58.7 | -69.2 | 0 | 0 | 0 | 110.2 | Y51 F53 I221 G270 G271 F275 V276 A506 V619 L621 | Y51-F273 AromaticContact CD2-CE1 3.69Å; Y51-F273 HydrophobicContact CD2-CE1 3.69Å; Y51-F273 AromaticContact CE2-CE1 3.84Å; Y51-F273 HydrophobicContact CE2-CE1 3.84Å; Y51-F273 HydrophobicContact CG-CE1 4.32Å; F53-F273 HydrophobicContact CD2-CB 4.36Å; F53-F273 AromaticContact CD2-CD1 3.86Å; F53-F273 HydrophobicContact CD2-CD1 3.86Å; F53-F273 HydrophobicContact CE2-CB 4.06Å; F53-F273 HydrophobicContact CE2-CD1 4.35Å; I221-F273 HydrophobicContact CD1-CE1 4.13Å; I221-F273 HydrophobicContact CD1-CZ 4.12Å; G270-F273 CarbonylContact O-C 3.54Å; G270-F273 PolarHBondContact O-N 2.85Å; G270-F273 VanDerWaalsContact O-N 3.1Å; G271-F273 PolarHBondContact O-N 2.77Å; F273-F275 VanDerWaalsContact C-N 3.26Å; F273-F275 PolarHBondContact O-N 3.39Å; F273-V276 HydrophobicContact CB-CG1 4.24Å; F273-V276 PolarHBondContact O-N 3.17Å; F273-A506 HydrophobicContact CE2-CB 3.69Å; F273-A506 HydrophobicContact CZ-CB 4.46Å; F273-V619 HydrophobicContact CB-CG2 3.83Å; F273-V619 HydrophobicContact CD1-CG1 3.6Å; F273-V619 HydrophobicContact CD1-CG2 4.12Å; F273-V619 HydrophobicContact CD2-CG1 4.24Å; F273-V619 HydrophobicContact CE1-CG1 3.68Å; F273-V619 HydrophobicContact CE2-CG1 4.3Å; F273-V619 HydrophobicContact CG-CG1 3.89Å; F273-V619 HydrophobicContact CG-CG2 3.99Å; F273-V619 HydrophobicContact CZ-CG1 4.04Å; F273-L621 HydrophobicContact CE2-CD2 4.42Å; F273-L621 HydrophobicContact CZ-CD2 3.88Å |
| 274 | N | 91.9 | Very high | 94 | Very high | 5 Ų | 5 | 9.9 Ų | 9.9 | 3% | 0.027 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 36.3 | 177.4 | -165 | 20.6 | 0 | 0 | 0 | 113 | F53 V276 E380 L382 R388 I617 | F53-N274 HydrophobicContact CE2-CB 4.35Å; F53-N274 HydrophobicContact CZ-CB 3.89Å; N274-V276 PolarHBondContact O-N 3.26Å; N274-E380 PolarHBondContact ND2-O 2.58Å; N274-L382 WeakPolarHBondContact OD1-CB 3.35Å; N274-L382 PolarHBondContact OD1-N 3.4Å; N274-R388 PolarHBondContact ND2-NH2 3.06Å; N274-R388 PolarHBondContact O-NE 3.35Å; N274-R388 PolarHBondContact O-NH2 3.08Å; N274-R388 PolarHBondContact OD1-NH2 2.81Å; N274-I617 HydrophobicContact CB-CD1 4.27Å |
| 275 | F | 94.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 10.3 Ų | 10.3 | 4% | 0.039 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 45 | 179.4 | -45.5 | -76.4 | 0 | 0 | 0 | 113.4 | G270 G271 F273 G277 S278 K279 L382 W384 E385 R388 | G270-F275 WeakPolarHBondContact O-CA 3.22Å; G270-F275 PolarHBondContact O-N 3.04Å; G271-F275 WeakPolarHBondContact O-CD1 3.4Å; G271-F275 PolarHBondContact O-N 3.3Å; G271-F275 VanDerWaalsContact O-N 3.13Å; F273-F275 VanDerWaalsContact C-N 3.26Å; F273-F275 PolarHBondContact O-N 3.39Å; F275-G277 VanDerWaalsContact C-N 3.31Å; F275-G277 PolarHBondContact O-N 2.91Å; F275-S278 PolarHBondContact O-N 3.45Å; F275-K279 PolarHBondContact O-N 3.32Å; F275-L382 HydrophobicContact CD2-CB 4.31Å; F275-L382 HydrophobicContact CE2-CB 4.37Å; F275-W384 VanDerWaalsContact CE2-C 3.41Å; F275-E385 HydrophobicContact CB-CG 4.32Å; F275-E385 HydrophobicContact CD1-CB 3.55Å; F275-E385 HydrophobicContact CD1-CG 3.64Å; F275-E385 HydrophobicContact CE1-CB 3.58Å; F275-E385 HydrophobicContact CE1-CG 4.19Å; F275-E385 HydrophobicContact CG-CB 4.08Å; F275-E385 HydrophobicContact CG-CG 4.04Å; F275-E385 HydrophobicContact CZ-CB 4.12Å; F275-E385 VanDerWaalsContact CZ-N 3.31Å; F275-R388 HydrophobicContact CB-CG 3.87Å |
| 276 | V | 92.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.3 | -36.1 | -176.5 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | G270 F273 N274 S278 K279 R280 I617 | G270-V276 PolarHBondContact O-N 3.13Å; G270-V276 VanDerWaalsContact O-N 3.11Å; F273-V276 HydrophobicContact CB-CG1 4.24Å; F273-V276 PolarHBondContact O-N 3.17Å; N274-V276 PolarHBondContact O-N 3.26Å; V276-S278 PolarHBondContact O-N 2.97Å; V276-K279 WeakPolarHBondContact O-CB 3.26Å; V276-K279 PolarHBondContact O-N 2.87Å; V276-R280 HydrophobicContact CG2-CG 4.09Å; V276-R280 WeakPolarHBondContact O-CB 3.44Å; V276-R280 VanDerWaalsContact O-CG 3.25Å; V276-R280 WeakPolarHBondContact O-CG 3.42Å; V276-R280 PolarHBondContact O-N 2.99Å; V276-I617 HydrophobicContact CB-CB 4.49Å; V276-I617 HydrophobicContact CB-CD1 3.98Å; V276-I617 HydrophobicContact CB-CG2 4.28Å; V276-I617 HydrophobicContact CG2-CB 4.07Å; V276-I617 HydrophobicContact CG2-CD1 4.13Å; V276-I617 HydrophobicContact CG2-CG2 4.25Å |
| 277 | G | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | N198 G269 F275 K279 R280 W281 | N198-G277 PolarHBondContact ND2-O 3.04Å; G269-G277 WeakPolarHBondContact O-CA 3.5Å; G269-G277 PolarHBondContact O-N 3.13Å; F275-G277 VanDerWaalsContact C-N 3.31Å; F275-G277 PolarHBondContact O-N 2.91Å; G277-K279 PolarHBondContact O-N 3.42Å; G277-R280 PolarHBondContact O-N 3.34Å; G277-W281 WeakPolarHBondContact O-CB 3.33Å; G277-W281 PolarHBondContact O-N 2.75Å |
| 278 | S | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 178 | -24.9 | 0 | 0 | 0 | 0 | 111.3 | F275 V276 L282 E385 | F275-S278 PolarHBondContact O-N 3.45Å; V276-S278 PolarHBondContact O-N 2.97Å; S278-L282 VanDerWaalsContact O-CG 3.32Å; S278-L282 WeakPolarHBondContact O-CG 3.36Å; S278-L282 PolarHBondContact O-N 2.79Å; S278-E385 PolarHBondContact OG-OE1 3.17Å |
| 279 | K | 93.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.022 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -52.1 | 171.7 | 179.8 | -174.4 | -178.3 | -72.1 | 0 | 111.4 | F275 V276 G277 W281 L282 D283 A613 T615 E616 I617 | F275-K279 PolarHBondContact O-N 3.32Å; V276-K279 WeakPolarHBondContact O-CB 3.26Å; V276-K279 PolarHBondContact O-N 2.87Å; G277-K279 PolarHBondContact O-N 3.42Å; K279-W281 VanDerWaalsContact C-N 3.3Å; K279-W281 PolarHBondContact O-N 2.72Å; K279-L282 WeakPolarHBondContact O-CB 3.32Å; K279-L282 PolarHBondContact O-N 2.94Å; K279-L282 VanDerWaalsContact O-N 3.17Å; K279-D283 IonicContact NZ-OD2 3.19Å; K279-D283 PolarHBondContact NZ-OD2 3.29Å; K279-D283 PolarHBondContact O-N 2.88Å; K279-A613 VanDerWaalsContact CE-O 3.32Å; K279-A613 WeakPolarHBondContact CE-O 3.48Å; K279-T615 VanDerWaalsContact CE-O 3.24Å; K279-T615 WeakPolarHBondContact CE-O 3.29Å; K279-E616 IonicContact NZ-OE2 3.68Å; K279-E616 PolarHBondContact NZ-OE2 3.23Å; K279-I617 HydrophobicContact CD-CD1 3.66Å; K279-I617 HydrophobicContact CD-CG1 4.09Å |
| 280 | R | 92.3 | Very high | 92.2 | Very high | 35 Ų | 35 | 33 Ų | 33 | 13% | 0.132 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | -177.1 | -68.9 | -66.3 | -173.8 | -158.4 | 0.2 | 112.3 | V276 G277 D283 Q284 Y561 E616 | V276-R280 HydrophobicContact CG2-CG 4.09Å; V276-R280 WeakPolarHBondContact O-CB 3.44Å; V276-R280 VanDerWaalsContact O-CG 3.25Å; V276-R280 WeakPolarHBondContact O-CG 3.42Å; V276-R280 PolarHBondContact O-N 2.99Å; G277-R280 PolarHBondContact O-N 3.34Å; R280-D283 PolarHBondContact O-N 2.76Å; R280-Q284 WeakPolarHBondContact O-CB 3.42Å; R280-Q284 PolarHBondContact O-N 3.5Å; R280-Y561 HydrophobicContact CB-CD1 3.6Å; R280-Y561 HydrophobicContact CB-CD2 3.91Å; R280-Y561 HydrophobicContact CB-CE1 3.95Å; R280-Y561 HydrophobicContact CB-CE2 4.27Å; R280-Y561 HydrophobicContact CB-CG 3.54Å; R280-Y561 HydrophobicContact CG-CD1 4.31Å; R280-Y561 HydrophobicContact CG-CG 4.05Å; R280-E616 IonicContact CZ-OE1 2.69Å; R280-E616 IonicContact CZ-OE2 3.12Å; R280-E616 VanDerWaalsContact NH1-CD 3.35Å; R280-E616 IonicContact NH1-OE1 2.93Å; R280-E616 PolarHBondContact NH1-OE1 2.83Å; R280-E616 IonicContact NH1-OE2 2.67Å; R280-E616 PolarHBondContact NH1-OE2 2.82Å; R280-E616 IonicContact NH2-OE1 3.23Å; R280-E616 PolarHBondContact NH2-OE1 3.26Å; R280-E616 IonicContact NH2-OE2 2.7Å |
| 281 | W | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.5 | -174.2 | 83.6 | 0 | 0 | 0 | 111.8 | E200 I213 L266 G277 K279 Q284 N285 L294 L295 F389 | E200-W281 PolarHBondContact OE2-NE1 3.48Å; I213-W281 HydrophobicContact CD1-CH2 3.62Å; I213-W281 HydrophobicContact CD1-CZ3 4.07Å; L266-W281 HydrophobicContact CD1-CD2 4.33Å; L266-W281 HydrophobicContact CD1-CG 4.12Å; L266-W281 HydrophobicContact CD2-CD2 3.83Å; L266-W281 HydrophobicContact CD2-CE3 4.02Å; L266-W281 HydrophobicContact CD2-CG 4.19Å; L266-W281 HydrophobicContact CD2-CZ3 4.47Å; G277-W281 WeakPolarHBondContact O-CB 3.33Å; G277-W281 PolarHBondContact O-N 2.75Å; K279-W281 VanDerWaalsContact C-N 3.3Å; K279-W281 PolarHBondContact O-N 2.72Å; W281-Q284 PolarHBondContact O-N 2.87Å; W281-N285 PolarHBondContact NE1-ND2 2.94Å; W281-N285 PolarHBondContact O-N 3.08Å; W281-N285 PolarHBondContact O-ND2 3.12Å; W281-L294 HydrophobicContact CH2-CD2 4.22Å; W281-L294 HydrophobicContact CZ2-CD2 4Å; W281-L295 HydrophobicContact CH2-CD2 3.86Å; W281-L295 HydrophobicContact CZ3-CD2 3.72Å; W281-F389 HydrophobicContact CE3-CE1 4.29Å; W281-F389 HydrophobicContact CZ3-CE1 4.11Å |
| 282 | L | 94.7 | Very high | 92 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.5 | -72.5 | 165.2 | 0 | 0 | 0 | 111.6 | S278 K279 Q284 N285 I286 L295 R388 F389 L394 | S278-L282 VanDerWaalsContact O-CG 3.32Å; S278-L282 WeakPolarHBondContact O-CG 3.36Å; S278-L282 PolarHBondContact O-N 2.79Å; K279-L282 WeakPolarHBondContact O-CB 3.32Å; K279-L282 PolarHBondContact O-N 2.94Å; K279-L282 VanDerWaalsContact O-N 3.17Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 2.63Å; L282-N285 PolarHBondContact O-N 3.43Å; L282-I286 WeakPolarHBondContact O-CB 3.2Å; L282-I286 WeakPolarHBondContact O-CD1 3.47Å; L282-I286 WeakPolarHBondContact O-CG1 3.47Å; L282-I286 PolarHBondContact O-N 2.88Å; L282-L295 HydrophobicContact CD2-CD2 4.1Å; L282-R388 HydrophobicContact CD1-CB 4.13Å; L282-F389 HydrophobicContact CD1-CD1 4.1Å; L282-F389 HydrophobicContact CD1-CE1 4.34Å; L282-F389 HydrophobicContact CD2-CD1 3.91Å; L282-F389 HydrophobicContact CD2-CE1 4.13Å; L282-F389 HydrophobicContact CG-CD1 4.35Å; L282-F389 HydrophobicContact CG-CE1 4.33Å; L282-L394 HydrophobicContact CD2-CD1 3.71Å |
| 283 | D | 92 | Very high | 92 | Very high | 31 Ų | 31 | 36 Ų | 36 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.8 | -38.3 | -179.6 | -72.9 | -21.3 | 0 | 0 | 0 | 112.3 | K279 R280 K287 | K279-D283 IonicContact NZ-OD2 3.19Å; K279-D283 PolarHBondContact NZ-OD2 3.29Å; K279-D283 PolarHBondContact O-N 2.88Å; R280-D283 PolarHBondContact O-N 2.76Å; D283-K287 WeakPolarHBondContact O-CD 3.48Å; D283-K287 VanDerWaalsContact O-CG 3.27Å; D283-K287 WeakPolarHBondContact O-CG 3.5Å; D283-K287 PolarHBondContact O-N 3.27Å |
| 284 | Q | 91.1 | Very high | 92 | Very high | 79 Ų | 79 | 36.4 Ų | 36.4 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.2 | -49.2 | 175.6 | -179.2 | -175.8 | -5.5 | 0 | 0 | 111.5 | R280 W281 L282 I286 K287 D288 Y561 | R280-Q284 WeakPolarHBondContact O-CB 3.42Å; R280-Q284 PolarHBondContact O-N 3.5Å; W281-Q284 PolarHBondContact O-N 2.87Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 2.63Å; Q284-I286 PolarHBondContact O-N 3.09Å; Q284-K287 PolarHBondContact O-N 3.25Å; Q284-K287 VanDerWaalsContact O-N 3.08Å; Q284-D288 PolarHBondContact O-N 3.04Å; Q284-D288 VanDerWaalsContact O-N 3.08Å; Q284-Y561 HydrophobicContact CB-CE1 4.24Å; Q284-Y561 PolarHBondContact OE1-OH 3.02Å |
| 285 | N | 92.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -28.8 | -178.7 | -79.8 | -80.5 | 0 | 0 | 0 | 112.2 | W281 L282 K287 G291 L292 L295 | W281-N285 PolarHBondContact NE1-ND2 2.94Å; W281-N285 PolarHBondContact O-N 3.08Å; W281-N285 PolarHBondContact O-ND2 3.12Å; L282-N285 PolarHBondContact O-N 3.43Å; N285-K287 VanDerWaalsContact C-N 3.35Å; N285-G291 CarbonylContact O-C 3.54Å; N285-G291 WeakPolarHBondContact O-CA 3.14Å; N285-G291 WeakPolarHBondContact OD1-CA 3.45Å; N285-L292 WeakPolarHBondContact O-CA 3.49Å; N285-L292 PolarHBondContact O-N 3.49Å; N285-L295 HydrophobicContact CB-CD1 3.75Å; N285-L295 HydrophobicContact CB-CD2 4.35Å; N285-L295 HydrophobicContact CB-CG 3.98Å |
| 286 | I | 92.2 | Very high | 92 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.3 | -32.3 | 174.3 | -69.3 | 163.5 | 0 | 0 | 0 | 111.9 | L282 Q284 L295 H392 | L282-I286 WeakPolarHBondContact O-CB 3.2Å; L282-I286 WeakPolarHBondContact O-CD1 3.47Å; L282-I286 WeakPolarHBondContact O-CG1 3.47Å; L282-I286 PolarHBondContact O-N 2.88Å; Q284-I286 PolarHBondContact O-N 3.09Å; I286-L295 HydrophobicContact CG1-CD1 3.62Å; I286-H392 WeakPolarHBondContact CD1-CE1 3.44Å; I286-H392 VanDerWaalsContact CD1-ND1 3.29Å; I286-H392 WeakPolarHBondContact CD1-ND1 3.36Å |
| 287 | K | 89.8 | Confident | 92 | Very high | 180 Ų | 180 | 41.6 Ų | 41.6 | 78% | 0.783 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -81.3 | -27.7 | -179 | -71.6 | 171.9 | -175.1 | 178.2 | 0 | 112.9 | D283 Q284 N285 | D283-K287 WeakPolarHBondContact O-CD 3.48Å; D283-K287 VanDerWaalsContact O-CG 3.27Å; D283-K287 WeakPolarHBondContact O-CG 3.5Å; D283-K287 PolarHBondContact O-N 3.27Å; Q284-K287 PolarHBondContact O-N 3.25Å; Q284-K287 VanDerWaalsContact O-N 3.08Å; N285-K287 VanDerWaalsContact C-N 3.35Å |
| 288 | D | 89.8 | Confident | 92.1 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -89.7 | 136.9 | 178.9 | -179.6 | 26.4 | 0 | 0 | 0 | 111.2 | Q284 V290 G291 L292 | Q284-D288 PolarHBondContact O-N 3.04Å; Q284-D288 VanDerWaalsContact O-N 3.08Å; D288-V290 VanDerWaalsContact C-N 3.34Å; D288-V290 PolarHBondContact O-N 3.49Å; D288-V290 PolarHBondContact OD1-N 3.33Å; D288-G291 PolarHBondContact O-N 3.42Å; D288-G291 PolarHBondContact OD2-N 2.72Å; D288-L292 WeakPolarHBondContact O-CB 3.41Å; D288-L292 PolarHBondContact O-N 3.09Å |
| 289 | S | 89 | Confident | 92.1 | Very high | 95 Ų | 95 | 44.1 Ų | 44.1 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67 | -36.6 | -179.9 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | L292 A293 | S289-L292 PolarHBondContact O-N 3.08Å; S289-A293 PolarHBondContact O-N 2.85Å |
| 290 | V | 88.1 | Confident | 92.3 | Very high | 81 Ų | 81 | 44 Ų | 44 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.3 | -45.6 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | D288 L292 A293 L294 | D288-V290 VanDerWaalsContact C-N 3.34Å; D288-V290 PolarHBondContact O-N 3.49Å; D288-V290 PolarHBondContact OD1-N 3.33Å; V290-L292 VanDerWaalsContact C-N 3.32Å; V290-L292 PolarHBondContact O-N 3.41Å; V290-A293 PolarHBondContact O-N 3.18Å; V290-L294 PolarHBondContact O-N 2.89Å; V290-L294 VanDerWaalsContact O-N 3.08Å |
| 291 | G | 88.5 | Confident | 92.5 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -38.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N285 D288 L294 L295 | N285-G291 CarbonylContact O-C 3.54Å; N285-G291 WeakPolarHBondContact O-CA 3.14Å; N285-G291 WeakPolarHBondContact OD1-CA 3.45Å; D288-G291 PolarHBondContact O-N 3.42Å; D288-G291 PolarHBondContact OD2-N 2.72Å; G291-L294 WeakPolarHBondContact O-CB 3.45Å; G291-L294 PolarHBondContact O-N 2.72Å; G291-L295 WeakPolarHBondContact O-CG 3.29Å; G291-L295 PolarHBondContact O-N 3.07Å |
| 292 | L | 91.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.8 | -40.8 | -179.7 | -175.4 | 63.3 | 0 | 0 | 0 | 111.1 | N285 D288 S289 V290 L294 L295 D296 I607 | N285-L292 WeakPolarHBondContact O-CA 3.49Å; N285-L292 PolarHBondContact O-N 3.49Å; D288-L292 WeakPolarHBondContact O-CB 3.41Å; D288-L292 PolarHBondContact O-N 3.09Å; S289-L292 PolarHBondContact O-N 3.08Å; V290-L292 VanDerWaalsContact C-N 3.32Å; V290-L292 PolarHBondContact O-N 3.41Å; L292-L294 VanDerWaalsContact C-N 3.3Å; L292-L294 PolarHBondContact O-N 3.4Å; L292-L295 PolarHBondContact O-N 3.17Å; L292-D296 PolarHBondContact O-N 3.4Å; L292-I607 HydrophobicContact CD1-CD1 3.78Å |
| 293 | A | 91.6 | Very high | 92.9 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 52% | 0.521 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S289 V290 S297 | S289-A293 PolarHBondContact O-N 2.85Å; V290-A293 PolarHBondContact O-N 3.18Å; A293-S297 PolarHBondContact O-N 3.47Å |
| 294 | L | 91.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -51.5 | 171.6 | 177.1 | 72.8 | 0 | 0 | 0 | 110.5 | T211 V264 W281 V290 G291 L292 D296 S297 V298 | T211-L294 HydrophobicContact CG2-CD1 3.87Å; V264-L294 HydrophobicContact CG2-CD1 4.33Å; W281-L294 HydrophobicContact CH2-CD2 4.22Å; W281-L294 HydrophobicContact CZ2-CD2 4Å; V290-L294 PolarHBondContact O-N 2.89Å; V290-L294 VanDerWaalsContact O-N 3.08Å; G291-L294 WeakPolarHBondContact O-CB 3.45Å; G291-L294 PolarHBondContact O-N 2.72Å; L292-L294 VanDerWaalsContact C-N 3.3Å; L292-L294 PolarHBondContact O-N 3.4Å; L294-D296 VanDerWaalsContact C-N 3.33Å; L294-D296 PolarHBondContact O-N 2.86Å; L294-S297 PolarHBondContact O-N 3.27Å; L294-S297 VanDerWaalsContact O-N 3.09Å; L294-S297 PolarHBondContact O-OG 3.32Å; L294-V298 WeakPolarHBondContact O-CG2 3.45Å; L294-V298 PolarHBondContact O-N 3.21Å |
| 295 | L | 94 | Very high | 93.5 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | -178.8 | -66.1 | -179.3 | 0 | 0 | 0 | 112.8 | W281 L282 N285 I286 G291 L292 S297 V298 L394 I607 | W281-L295 HydrophobicContact CH2-CD2 3.86Å; W281-L295 HydrophobicContact CZ3-CD2 3.72Å; L282-L295 HydrophobicContact CD2-CD2 4.1Å; N285-L295 HydrophobicContact CB-CD1 3.75Å; N285-L295 HydrophobicContact CB-CD2 4.35Å; N285-L295 HydrophobicContact CB-CG 3.98Å; I286-L295 HydrophobicContact CG1-CD1 3.62Å; G291-L295 WeakPolarHBondContact O-CG 3.29Å; G291-L295 PolarHBondContact O-N 3.07Å; L292-L295 PolarHBondContact O-N 3.17Å; L295-S297 PolarHBondContact O-N 3.07Å; L295-V298 WeakPolarHBondContact O-CB 3.48Å; L295-V298 WeakPolarHBondContact O-CG2 3.33Å; L295-V298 PolarHBondContact O-N 3.05Å; L295-L394 HydrophobicContact CD2-CD1 4.07Å; L295-L394 WeakPolarHBondContact O-CD2 3.41Å; L295-I607 HydrophobicContact CB-CD1 4.17Å; L295-I607 HydrophobicContact CD1-CD1 4.49Å |
| 296 | D | 92.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 36.6 Ų | 36.6 | 52% | 0.524 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.3 | -26 | 176.6 | -76.5 | -19.6 | 0 | 0 | 0 | 112.5 | L292 L294 | L292-D296 PolarHBondContact O-N 3.4Å; L294-D296 VanDerWaalsContact C-N 3.33Å; L294-D296 PolarHBondContact O-N 2.86Å |
| 297 | S | 93.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -9.1 | 175.4 | 76.9 | 0 | 0 | 0 | 0 | 114.3 | T211 A293 L294 L295 T299 | T211-S297 WeakPolarHBondContact CB-OG 3.24Å; T211-S297 PolarHBondContact N-O 3.03Å; T211-S297 PolarHBondContact OG1-OG 2.89Å; A293-S297 PolarHBondContact O-N 3.47Å; L294-S297 PolarHBondContact O-N 3.27Å; L294-S297 VanDerWaalsContact O-N 3.09Å; L294-S297 PolarHBondContact O-OG 3.32Å; L295-S297 PolarHBondContact O-N 3.07Å; S297-T299 PolarHBondContact O-N 3.48Å; S297-T299 VanDerWaalsContact O-N 3.13Å |
| 298 | V | 95.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 115 | -175 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | T211 I213 L294 L295 V301 L394 | T211-V298 HydrophobicContact CG2-CG2 4.41Å; T211-V298 CarbonylContact O-C 3.57Å; T211-V298 WeakPolarHBondContact O-CA 3.37Å; I213-V298 HydrophobicContact CD1-CG1 4.39Å; I213-V298 HydrophobicContact CD1-CG2 3.71Å; I213-V298 HydrophobicContact CG1-CG2 4.24Å; L294-V298 WeakPolarHBondContact O-CG2 3.45Å; L294-V298 PolarHBondContact O-N 3.21Å; L295-V298 WeakPolarHBondContact O-CB 3.48Å; L295-V298 WeakPolarHBondContact O-CG2 3.33Å; L295-V298 PolarHBondContact O-N 3.05Å; V298-V301 HydrophobicContact CG1-CG2 3.71Å; V298-L394 HydrophobicContact CB-CD2 4.13Å; V298-L394 HydrophobicContact CG1-CD2 4.44Å |
| 299 | T | 95.3 | Very high | 93.9 | Very high | 40 Ų | 40 | 22.4 Ų | 22.4 | 25% | 0.245 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -38.1 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | S210 T211 S297 F329 | S210-T299 WeakPolarHBondContact CB-OG1 3.32Å; S210-T299 PolarHBondContact OG-OG1 3.49Å; T211-T299 PolarHBondContact O-N 3.3Å; S297-T299 PolarHBondContact O-N 3.48Å; S297-T299 VanDerWaalsContact O-N 3.13Å; T299-F329 HydrophobicContact CG2-CB 3.69Å; T299-F329 HydrophobicContact CG2-CD2 3.99Å; T299-F329 HydrophobicContact CG2-CG 3.96Å |
| 300 | Q | 97.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 141 | 180 | -175 | 61 | 43 | 0 | 0 | 112.4 | I212 I213 I302 F329 P395 S396 | I212-Q300 WeakPolarHBondContact CA-O 3.48Å; I213-Q300 PolarHBondContact N-O 3.02Å; Q300-I302 HydrophobicContact CG-CD1 4.47Å; Q300-I302 HydrophobicContact CG-CG1 3.93Å; Q300-F329 HydrophobicContact CB-CD1 3.47Å; Q300-F329 VanDerWaalsContact CB-CD1 3.47Å; Q300-F329 HydrophobicContact CB-CE1 3.8Å; Q300-F329 HydrophobicContact CB-CG 4.18Å; Q300-F329 HydrophobicContact CG-CD1 3.69Å; Q300-F329 HydrophobicContact CG-CE1 3.9Å; Q300-P395 CarbonylContact C-O 3.6Å; Q300-P395 WeakPolarHBondContact CA-O 3.31Å; Q300-P395 PolarHBondContact NE2-O 3.47Å; Q300-S396 VanDerWaalsContact NE2-CA 3.32Å |
| 301 | V | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.3 | 166.5 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | I213 V298 F389 L394 P395 S396 V397 | I213-V301 HydrophobicContact CB-CB 4.4Å; I213-V301 HydrophobicContact CB-CG1 4.1Å; I213-V301 HydrophobicContact CB-CG2 4.14Å; I213-V301 HydrophobicContact CD1-CG2 4.16Å; I213-V301 HydrophobicContact CG1-CG2 4.42Å; I213-V301 HydrophobicContact CG2-CG1 4.23Å; I213-V301 CarbonylContact O-C 3.51Å; I213-V301 WeakPolarHBondContact O-CA 3.3Å; V298-V301 HydrophobicContact CG1-CG2 3.71Å; V301-F389 HydrophobicContact CB-CB 4.46Å; V301-F389 HydrophobicContact CB-CD1 4.41Å; V301-F389 HydrophobicContact CB-CG 4.25Å; V301-F389 HydrophobicContact CG1-CD1 3.96Å; V301-F389 HydrophobicContact CG1-CD2 3.78Å; V301-F389 HydrophobicContact CG1-CE1 4.04Å; V301-F389 HydrophobicContact CG1-CE2 3.85Å; V301-F389 HydrophobicContact CG1-CG 3.82Å; V301-F389 HydrophobicContact CG1-CZ 3.99Å; V301-F389 HydrophobicContact CG2-CB 4.25Å; V301-F389 HydrophobicContact CG2-CD1 3.89Å; V301-F389 HydrophobicContact CG2-CE1 4.48Å; V301-F389 HydrophobicContact CG2-CG 4.1Å; V301-L394 HydrophobicContact CG2-CB 4.39Å; V301-P395 PolarHBondContact N-O 3.28Å; V301-S396 CarbonylContact O-C 3.47Å; V301-S396 VanDerWaalsContact O-CA 3.28Å; V301-S396 WeakPolarHBondContact O-CA 3.18Å; V301-V397 PolarHBondContact O-N 3.2Å |
| 302 | I | 98.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 103.9 | 179.4 | -58 | 168.5 | 0 | 0 | 0 | 107.7 | I212 I213 I214 C215 Q300 L304 F333 V397 L399 L461 | I212-I302 HydrophobicContact CG2-CD1 4.4Å; I213-I302 PolarHBondContact O-N 2.83Å; I214-I302 CarbonylContact C-O 3.59Å; I214-I302 WeakPolarHBondContact CA-O 3.03Å; C215-I302 PolarHBondContact N-O 3.48Å; Q300-I302 HydrophobicContact CG-CD1 4.47Å; Q300-I302 HydrophobicContact CG-CG1 3.93Å; I302-L304 HydrophobicContact CG2-CD2 4.05Å; I302-F333 HydrophobicContact CD1-CD1 4.3Å; I302-F333 HydrophobicContact CD1-CE1 3.65Å; I302-F333 HydrophobicContact CD1-CE2 4.41Å; I302-F333 HydrophobicContact CD1-CZ 3.72Å; I302-F333 HydrophobicContact CG1-CE1 4.08Å; I302-F333 HydrophobicContact CG2-CE1 4.45Å; I302-V397 HydrophobicContact CB-CG1 4.48Å; I302-V397 HydrophobicContact CG1-CG1 4.15Å; I302-V397 HydrophobicContact CG2-CG1 4.44Å; I302-L399 HydrophobicContact CG2-CD1 3.94Å; I302-L399 HydrophobicContact CG2-CG 4.28Å; I302-L461 HydrophobicContact CD1-CD2 3.57Å; I302-L461 HydrophobicContact CD1-CG 4.46Å |
| 303 | C | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 134.3 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | C215 E385 V397 T398 L399 | C215-C303 CarbonylContact O-C 3.55Å; C215-C303 VanDerWaalsContact O-CA 3.3Å; C215-C303 WeakPolarHBondContact O-CA 3.33Å; C303-E385 HydrophobicContact CB-CB 4.06Å; C303-V397 PolarHBondContact N-O 2.7Å; C303-T398 HydrophobicContact CB-CG2 4.21Å; C303-T398 CarbonylContact O-C 3.51Å; C303-T398 VanDerWaalsContact O-CA 3.31Å; C303-T398 WeakPolarHBondContact O-CA 3.4Å; C303-L399 PolarHBondContact O-N 2.85Å |
| 304 | L | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.9 | 179.9 | -57.6 | 176 | 0 | 0 | 0 | 108.8 | I214 C215 A216 N234 I240 L241 L244 I302 L307 L399 I457 | I214-L304 HydrophobicContact CG2-CD1 3.8Å; I214-L304 HydrophobicContact CG2-CG 4.33Å; C215-L304 PolarHBondContact O-N 3.08Å; A216-L304 HydrophobicContact CB-CB 4.34Å; N234-L304 PolarHBondContact ND2-O 3.46Å; I240-L304 HydrophobicContact CB-CD1 4.07Å; I240-L304 HydrophobicContact CG2-CD1 3.72Å; L241-L304 HydrophobicContact CB-CD1 4.1Å; L244-L304 HydrophobicContact CD1-CD1 4.32Å; I302-L304 HydrophobicContact CG2-CD2 4.05Å; L304-L307 HydrophobicContact CB-CD1 4.06Å; L304-L307 HydrophobicContact CD2-CD1 3.93Å; L304-L399 HydrophobicContact CD2-CB 4.41Å; L304-L399 HydrophobicContact CD2-CD1 4.27Å; L304-I457 HydrophobicContact CD2-CD1 3.94Å |
| 305 | E | 96.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | trans | -146.4 | 126.8 | 179.8 | -162.8 | 179.2 | -178.2 | 0 | 0 | 112.2 | H217 N234 W384 T398 L399 S400 W402 R412 | H217-E305 IonicContact NE2-OE1 3.72Å; N234-E305 HydrophobicContact CB-CG 4.48Å; N234-E305 VanDerWaalsContact OD1-CA 3.25Å; N234-E305 WeakPolarHBondContact OD1-CA 3.27Å; E305-W384 VanDerWaalsContact OE2-CZ3 3.29Å; E305-W384 WeakPolarHBondContact OE2-CZ3 3.15Å; E305-T398 HydrophobicContact CB-CG2 3.93Å; E305-L399 PolarHBondContact N-O 3.24Å; E305-S400 WeakPolarHBondContact O-CA 3.34Å; E305-S400 WeakPolarHBondContact O-CB 3.02Å; E305-W402 HydrophobicContact CG-CH2 3.99Å; E305-W402 HydrophobicContact CG-CZ3 3.63Å; E305-W402 WeakPolarHBondContact OE1-CZ3 3.18Å; E305-R412 IonicContact OE1-CZ 3.92Å; E305-R412 IonicContact OE1-NE 3.74Å; E305-R412 PolarHBondContact OE1-NE 3.04Å; E305-R412 IonicContact OE1-NH2 2.84Å; E305-R412 PolarHBondContact OE1-NH2 2.92Å; E305-R412 IonicContact OE2-CZ 3.05Å; E305-R412 IonicContact OE2-NE 3.89Å; E305-R412 IonicContact OE2-NH2 2.72Å; E305-R412 PolarHBondContact OE2-NH2 3.09Å | ||
| 306 | G | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 60.4 | 59.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D232 N234 N401 | D232-G306 VanDerWaalsContact O-CA 3.23Å; D232-G306 WeakPolarHBondContact O-CA 3.32Å; D232-G306 PolarHBondContact O-N 3.13Å; N234-G306 PolarHBondContact OD1-N 3.27Å; N234-G306 VanDerWaalsContact OD1-N 3.11Å; G306-N401 WeakPolarHBondContact O-CB 3.26Å; G306-N401 PolarHBondContact O-N 3.14Å |
| 307 | L | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -114.9 | 12.2 | -170.7 | -72.8 | 168.7 | 0 | 0 | 0 | 114.3 | D232 S236 I240 L304 M316 L399 N401 N453 I457 | D232-L307 PolarHBondContact OD1-N 3.3Å; S236-L307 PolarHBondContact OG-N 3.35Å; I240-L307 HydrophobicContact CD1-CB 3.39Å; I240-L307 HydrophobicContact CD1-CD1 3.57Å; I240-L307 HydrophobicContact CD1-CG 4.12Å; L304-L307 HydrophobicContact CB-CD1 4.06Å; L304-L307 HydrophobicContact CD2-CD1 3.93Å; L307-M316 HydrophobicContact CD2-CG 3.91Å; L307-M316 HydrophobicContact CD2-SD 3.6Å; L307-L399 HydrophobicContact CD1-CB 4.41Å; L307-N401 WeakPolarHBondContact CA-OD1 3.35Å; L307-N401 PolarHBondContact O-OD1 3.07Å; L307-N453 PolarHBondContact O-ND2 3.04Å; L307-I457 HydrophobicContact CD1-CD1 3.96Å | ||
| 308 | G | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -112.1 | -15.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D232 V445 N446 | D232-G308 WeakPolarHBondContact OD1-CA 3.33Å; D232-G308 PolarHBondContact OD1-N 3.26Å; G308-V445 WeakPolarHBondContact O-CA 3.29Å; G308-N446 PolarHBondContact O-N 3.47Å |
| 309 | S | 88.7 | Confident | 93 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | trans | -90.6 | 134.5 | -172.6 | 177.2 | 0 | 0 | 0 | 0 | 114.3 | D232 N311 | D232-S309 PolarHBondContact OD1-N 3.1Å; D232-S309 WeakPolarHBondContact OD2-CB 3.45Å; S309-N311 VanDerWaalsContact C-N 3.32Å; S309-N311 PolarHBondContact OG-N 3.36Å | ||
| 310 | P | 86 | Confident | 93.1 | Very high | 20 Ų | 20 | 11.2 Ų | 11.2 | 13% | 0.13 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -74.9 | -15.1 | 171.7 | 25.4 | -28.1 | 0 | 0 | 0 | 114.6 | F312 G313 N354 N444 I449 | P310-F312 PolarHBondContact O-N 3.11Å; P310-F312 VanDerWaalsContact O-N 3.11Å; P310-G313 PolarHBondContact O-N 3.39Å; P310-N354 PolarHBondContact O-ND2 3.19Å; P310-N444 WeakPolarHBondContact CD-O 3.38Å; P310-I449 HydrophobicContact CB-CD1 3.42Å; P310-I449 VanDerWaalsContact CB-CD1 3.42Å; P310-I449 HydrophobicContact CG-CD1 4.11Å |
| 311 | N | 84.3 | Confident | 92.9 | Very high | 66 Ų | 66 | 11.5 Ų | 11.5 | 35% | 0.353 | 6% | 0.063 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -10.6 | -162.7 | -65.8 | -8.4 | 0 | 0 | 0 | 114.4 | S309 N444 | S309-N311 VanDerWaalsContact C-N 3.32Å; S309-N311 PolarHBondContact OG-N 3.36Å; N311-N444 PolarHBondContact ND2-ND2 2.8Å; N311-N444 VanDerWaalsContact ND2-ND2 3.13Å |
| 312 | F | 84.7 | Confident | 92.7 | Very high | 30 Ų | 30 | 17.8 Ų | 17.8 | 13% | 0.132 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 18.1 | -172.7 | -51.7 | -69.9 | 0 | 0 | 0 | 113.1 | P310 N401 W402 I407 W411 | P310-F312 PolarHBondContact O-N 3.11Å; P310-F312 VanDerWaalsContact O-N 3.11Å; F312-N401 WeakPolarHBondContact CB-O 3.47Å; F312-N401 HydrophobicContact CD2-CB 4.43Å; F312-W402 AromaticContact CD2-CD1 3.55Å; F312-W402 AromaticContact CD2-NE1 3.87Å; F312-W402 AromaticContact CE2-CD1 3.37Å; F312-W402 AromaticContact CE2-NE1 3.3Å; F312-W402 VanDerWaalsContact CE2-NE1 3.3Å; F312-W402 AromaticContact CG-CD1 4Å; F312-W402 AromaticContact CZ-CD1 3.68Å; F312-W402 AromaticContact CZ-NE1 3.72Å; F312-I407 HydrophobicContact CD1-CG2 3.87Å; F312-I407 HydrophobicContact CE1-CG2 3.47Å; F312-I407 VanDerWaalsContact CE1-CG2 3.47Å; F312-I407 HydrophobicContact CZ-CG2 4.2Å; F312-W411 AromaticContact CE1-CD1 3.78Å; F312-W411 HydrophobicContact CE1-CG 4.47Å; F312-W411 AromaticContact CE1-NE1 3.53Å; F312-W411 AromaticContact CZ-CD1 3.55Å; F312-W411 AromaticContact CZ-CD2 3.94Å; F312-W411 HydrophobicContact CZ-CD2 3.94Å; F312-W411 AromaticContact CZ-CE2 3.77Å; F312-W411 AromaticContact CZ-CG 3.81Å; F312-W411 HydrophobicContact CZ-CG 3.81Å; F312-W411 HydrophobicContact CZ-CZ2 4.48Å; F312-W411 AromaticContact CZ-NE1 3.53Å |
| 313 | G | 81.7 | Confident | 92.4 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 20% | 0.196 | 11% | 0.114 | C | C | . | . | trans | 87.6 | -172.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P310 | P310-G313 PolarHBondContact O-N 3.39Š| ||
| 314 | Q | 85.5 | Confident | 92.2 | Very high | 36 Ų | 36 | 22.7 Ų | 22.7 | 17% | 0.168 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -90.8 | -11.5 | -172.6 | -53.7 | 172 | 11 | 0 | 0 | 113.2 | F346 N366 | Q314-F346 HydrophobicContact CB-CB 4.31Å; Q314-F346 HydrophobicContact CB-CD1 4.46Å; Q314-F346 HydrophobicContact CB-CD2 3.96Å; Q314-F346 HydrophobicContact CB-CE2 4.38Å; Q314-F346 HydrophobicContact CB-CG 4Å; Q314-F346 HydrophobicContact CG-CB 4.3Å; Q314-F346 HydrophobicContact CG-CD1 3.85Å; Q314-F346 HydrophobicContact CG-CD2 4.24Å; Q314-F346 HydrophobicContact CG-CE1 4.18Å; Q314-F346 HydrophobicContact CG-CG 3.87Å; Q314-N366 WeakPolarHBondContact CB-OD1 3.48Å; Q314-N366 PolarHBondContact OE1-OD1 3.26Å |
| 315 | N | 89 | Confident | 91.9 | Very high | 32 Ų | 32 | 30.9 Ų | 30.9 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | trans | -81.9 | 147 | -175.8 | -64 | -28.5 | 0 | 0 | 0 | 111 | Y317 T367 Q369 N401 | N315-Y317 HydrophobicContact CB-CE2 4.39Å; N315-T367 WeakPolarHBondContact CA-O 3.22Å; N315-T367 WeakPolarHBondContact CB-O 3.42Å; N315-T367 PolarHBondContact OD1-N 2.82Å; N315-T367 VanDerWaalsContact OD1-N 3.09Å; N315-T367 PolarHBondContact OD1-O 3.38Å; N315-T367 PolarHBondContact OD1-OG1 3.1Å; N315-Q369 PolarHBondContact ND2-NE2 2.81Å; N315-Q369 VanDerWaalsContact ND2-NE2 3.18Å; N315-N401 PolarHBondContact O-ND2 2.96Å; N315-N401 VanDerWaalsContact O-ND2 3.1Å | ||
| 316 | M | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.3 | 166.7 | -180 | 172.9 | 65.8 | 0 | 0 | 108.1 | L307 L337 T367 I368 Q369 L399 V456 I457 | L307-M316 HydrophobicContact CD2-CG 3.91Å; L307-M316 HydrophobicContact CD2-SD 3.6Å; M316-L337 HydrophobicContact CE-CD1 4.44Å; M316-L337 HydrophobicContact CE-CD2 4.17Å; M316-T367 PolarHBondContact N-O 3.23Å; M316-I368 HydrophobicContact CB-CD1 3.75Å; M316-I368 HydrophobicContact CE-CD1 3.43Å; M316-I368 VanDerWaalsContact CE-CD1 3.43Å; M316-I368 HydrophobicContact CG-CD1 4.41Å; M316-I368 WeakPolarHBondContact O-CA 3.37Å; M316-Q369 PolarHBondContact O-N 2.62Å; M316-L399 HydrophobicContact CE-CD1 4.39Å; M316-L399 HydrophobicContact SD-CB 4.3Å; M316-V456 HydrophobicContact CE-CG1 3.96Å; M316-I457 HydrophobicContact CE-CG1 4.12Å; M316-I457 HydrophobicContact SD-CD1 4.28Å; M316-I457 HydrophobicContact SD-CG1 4.31Å |
| 317 | Y | 96.5 | Very high | 91.4 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132.9 | -175.5 | -58.4 | -84.9 | 0 | 0 | 0 | 110.2 | N315 Q369 I371 L399 S400 N401 P403 | N315-Y317 HydrophobicContact CB-CE2 4.39Å; Y317-Q369 CarbonylContact C-O 3.56Å; Y317-Q369 VanDerWaalsContact CA-O 3.29Å; Y317-Q369 WeakPolarHBondContact CA-O 3.24Å; Y317-Q369 HydrophobicContact CD1-CB 3.78Å; Y317-Q369 HydrophobicContact CE1-CB 3.99Å; Y317-Q369 HydrophobicContact CE1-CG 4.44Å; Y317-I371 HydrophobicContact CD1-CD1 3.49Å; Y317-I371 VanDerWaalsContact CD1-CD1 3.49Å; Y317-I371 HydrophobicContact CD1-CG1 4.19Å; Y317-I371 HydrophobicContact CE1-CD1 4.26Å; Y317-I371 HydrophobicContact CG-CD1 4.06Å; Y317-L399 WeakPolarHBondContact O-CA 3.35Å; Y317-S400 PolarHBondContact N-O 2.8Å; Y317-S400 PolarHBondContact O-N 3.08Å; Y317-N401 WeakPolarHBondContact CE2-O 3.5Å; Y317-P403 HydrophobicContact CD1-CB 4.42Å; Y317-P403 HydrophobicContact CD2-CB 4.42Å; Y317-P403 HydrophobicContact CE1-CB 3.81Å; Y317-P403 HydrophobicContact CE2-CB 3.84Å; Y317-P403 HydrophobicContact CE2-CG 4.26Å |
| 318 | A | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 101.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L334 I368 Q369 M370 I371 V397 L399 | A318-L334 HydrophobicContact CB-CD2 3.49Å; A318-L334 VanDerWaalsContact CB-CD2 3.49Å; A318-I368 HydrophobicContact CB-CG2 4.37Å; A318-Q369 PolarHBondContact N-O 3.43Å; A318-M370 WeakPolarHBondContact O-CA 3.17Å; A318-I371 PolarHBondContact O-N 3Å; A318-V397 HydrophobicContact CB-CG2 3.92Å; A318-L399 HydrophobicContact CB-CD2 3.88Å |
| 319 | H | 97.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.6 | 178.2 | -53.4 | -78.7 | 0 | 0 | 0 | 110.1 | I371 W384 H386 V397 T398 S400 W402 | H319-I371 WeakPolarHBondContact CA-O 3.24Å; H319-W384 HydrophobicContact CB-CD2 4.18Å; H319-W384 HydrophobicContact CB-CG 4.24Å; H319-W384 AromaticContact CD2-CE2 3.89Å; H319-W384 AromaticContact CD2-CH2 3.66Å; H319-W384 AromaticContact CD2-CZ2 3.68Å; H319-W384 AromaticContact CD2-CZ3 3.89Å; H319-W384 AromaticContact CE1-CH2 3.78Å; H319-W384 AromaticContact CE1-CZ2 3.4Å; H319-W384 WeakPolarHBondContact CE1-CZ2 3.35Å; H319-W384 AromaticContact CG-CE2 3.6Å; H319-W384 AromaticContact CG-CZ2 3.71Å; H319-W384 AromaticContact CG-NE1 3.88Å; H319-W384 AromaticContact ND1-CE2 3.72Å; H319-W384 AromaticContact ND1-CZ2 3.55Å; H319-W384 AromaticContact ND1-NE1 3.88Å; H319-W384 AromaticContact NE2-CH2 3.4Å; H319-W384 WeakPolarHBondContact NE2-CH2 3.3Å; H319-W384 AromaticContact NE2-CZ2 3.49Å; H319-W384 WeakPolarHBondContact NE2-CZ2 3.47Å; H319-H386 PolarHBondContact O-CE1 3.23Å; H319-H386 PolarHBondContact O-ND1 3.3Å; H319-V397 WeakPolarHBondContact O-CA 3.19Å; H319-V397 WeakPolarHBondContact O-CG2 3.1Å; H319-T398 PolarHBondContact CD2-O 3.22Å; H319-T398 PolarHBondContact N-O 2.67Å; H319-T398 PolarHBondContact O-N 3.09Å; H319-S400 PolarHBondContact NE2-OG 2.79Å; H319-W402 PolarHBondContact CE1-O 3.14Å; H319-W402 PolarHBondContact NE2-O 2.95Å |
| 320 | V | 97.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.8 | -177.5 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | L330 M370 I371 H372 K373 V397 | V320-L330 HydrophobicContact CG1-CD2 4.06Å; V320-M370 HydrophobicContact CG2-CG 3.85Å; V320-M370 HydrophobicContact CG2-SD 3.45Å; V320-M370 WeakPolarHBondContact CG2-SD 3.37Å; V320-I371 PolarHBondContact N-O 3.49Å; V320-H372 HydrophobicContact CG2-CB 4.12Å; V320-H372 WeakPolarHBondContact O-CA 3.29Å; V320-K373 PolarHBondContact O-N 2.96Å; V320-V397 HydrophobicContact CG1-CB 4.06Å; V320-V397 HydrophobicContact CG1-CG2 3.69Å |
| 321 | S | 94.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -84.7 | -22.5 | 174.8 | -71.1 | 0 | 0 | 0 | 0 | 113.4 | H372 K373 I375 H386 | S321-H372 PolarHBondContact O-NE2 3.2Å; S321-K373 WeakPolarHBondContact CA-O 3.41Å; S321-I375 WeakPolarHBondContact OG-CD1 3.36Å; S321-I375 WeakPolarHBondContact OG-CG1 3.28Å; S321-H386 PolarHBondContact N-NE2 2.97Å; S321-H386 PolarHBondContact OG-CD2 2.95Å; S321-H386 PolarHBondContact OG-NE2 2.75Å |
| 322 | K | 92.8 | Very high | 92.6 | Very high | 133 Ų | 133 | 45.7 Ų | 45.7 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -138.2 | 134.4 | 175.9 | -66 | 176.5 | -174.6 | 166.2 | 0 | 108 | ||
| 323 | P | 93.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -62.2 | 138.3 | 172.8 | -2.4 | 14.6 | 0 | 0 | 0 | 109 | K325 | P323-K325 PolarHBondContact O-N 3.03Š|
| 324 | P | 93.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 137.2 | -179.7 | 27 | -33.9 | 0 | 0 | 0 | 110.7 | L330 L334 | P324-L330 HydrophobicContact CB-CB 3.88Å; P324-L330 HydrophobicContact CB-CD2 3.98Å; P324-L330 HydrophobicContact CB-CG 3.81Å; P324-L330 HydrophobicContact CG-CD2 4.48Å; P324-L330 HydrophobicContact CG-CG 4.27Å; P324-L334 HydrophobicContact CG-CD1 3.93Å |
| 325 | K | 92.9 | Very high | 94.1 | Very high | 172 Ų | 172 | 47.4 Ų | 47.4 | 75% | 0.748 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -71.2 | 144.5 | 172.3 | -64 | -179.1 | -179.6 | 179.6 | 0 | 109.4 | P323 G327 S328 Y331 | P323-K325 PolarHBondContact O-N 3.03Å; K325-G327 PolarHBondContact O-N 3.33Å; K325-S328 VanDerWaalsContact O-CB 3.23Å; K325-S328 WeakPolarHBondContact O-CB 3.49Å; K325-S328 PolarHBondContact O-N 3.42Å; K325-S328 PolarHBondContact O-OG 3.17Å; K325-Y331 VanDerWaalsContact O-CB 3.25Å; K325-Y331 WeakPolarHBondContact O-CB 3.5Å |
| 326 | E | 89.9 | Confident | 94.3 | Very high | 159 Ų | 159 | 45.9 Ų | 45.9 | 74% | 0.743 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 137.2 | 171.4 | -59 | -167.6 | 151.6 | 0 | 0 | 110.2 | S328 Y331 | E326-S328 VanDerWaalsContact C-N 3.25Å; E326-S328 PolarHBondContact O-N 3.48Å; E326-Y331 HydrophobicContact CB-CE2 4.42Å; E326-Y331 HydrophobicContact CG-CD2 4.42Å; E326-Y331 HydrophobicContact CG-CE2 3.88Å |
| 327 | G | 90.4 | Very high | 94.4 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 49% | 0.485 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -8.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K325 Y332 | K325-G327 PolarHBondContact O-N 3.33Å; G327-Y332 WeakPolarHBondContact O-CE2 3.47Å |
| 328 | S | 93.3 | Very high | 94.2 | Very high | 37 Ų | 37 | 47 Ų | 47 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -71.6 | 156.2 | 173.4 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | K325 E326 L330 Y331 Y332 | K325-S328 VanDerWaalsContact O-CB 3.23Å; K325-S328 WeakPolarHBondContact O-CB 3.49Å; K325-S328 PolarHBondContact O-N 3.42Å; K325-S328 PolarHBondContact O-OG 3.17Å; E326-S328 VanDerWaalsContact C-N 3.25Å; E326-S328 PolarHBondContact O-N 3.48Å; S328-L330 VanDerWaalsContact C-N 3.28Å; S328-L330 PolarHBondContact O-N 3.44Å; S328-Y331 WeakPolarHBondContact O-CB 3.2Å; S328-Y331 PolarHBondContact O-N 3.11Å; S328-Y331 VanDerWaalsContact O-N 3.08Å; S328-Y331 PolarHBondContact OG-N 2.9Å; S328-Y332 WeakPolarHBondContact O-CD2 3.21Å; S328-Y332 PolarHBondContact O-N 2.69Å |
| 329 | F | 94.8 | Very high | 93.8 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 10% | 0.096 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -51.1 | -48.5 | 174 | -177.7 | -81.2 | 0 | 0 | 0 | 111.5 | I212 T299 Q300 Y331 Y332 F333 L461 V464 L465 | I212-F329 HydrophobicContact CD1-CE1 4.47Å; I212-F329 HydrophobicContact CD1-CE2 3.6Å; I212-F329 HydrophobicContact CD1-CZ 3.55Å; I212-F329 HydrophobicContact CG1-CE2 4.43Å; I212-F329 HydrophobicContact CG1-CZ 4.31Å; T299-F329 HydrophobicContact CG2-CB 3.69Å; T299-F329 HydrophobicContact CG2-CD2 3.99Å; T299-F329 HydrophobicContact CG2-CG 3.96Å; Q300-F329 HydrophobicContact CB-CD1 3.47Å; Q300-F329 VanDerWaalsContact CB-CD1 3.47Å; Q300-F329 HydrophobicContact CB-CE1 3.8Å; Q300-F329 HydrophobicContact CB-CG 4.18Å; Q300-F329 HydrophobicContact CG-CD1 3.69Å; Q300-F329 HydrophobicContact CG-CE1 3.9Å; F329-Y331 VanDerWaalsContact C-N 3.31Å; F329-Y331 PolarHBondContact O-N 2.91Å; F329-Y332 PolarHBondContact O-N 3.35Å; F329-F333 HydrophobicContact CD1-CB 4.27Å; F329-F333 HydrophobicContact CE1-CB 4.09Å; F329-F333 HydrophobicContact CE1-CG 4.28Å; F329-F333 VanDerWaalsContact O-CB 3.31Å; F329-F333 WeakPolarHBondContact O-CB 3.49Å; F329-F333 PolarHBondContact O-N 3.38Å; F329-L461 HydrophobicContact CZ-CD2 4.4Å; F329-V464 HydrophobicContact CD2-CG1 3.54Å; F329-V464 HydrophobicContact CE1-CG1 4.41Å; F329-V464 HydrophobicContact CE2-CB 4.17Å; F329-V464 HydrophobicContact CE2-CG1 3.32Å; F329-V464 HydrophobicContact CG-CG1 4.18Å; F329-V464 HydrophobicContact CZ-CB 4.26Å; F329-V464 HydrophobicContact CZ-CG1 3.79Å; F329-L465 HydrophobicContact CE2-CD2 4.18Å; F329-L465 HydrophobicContact CZ-CD2 4.48Å |
| 330 | L | 95.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 179.6 | -174.7 | 54.9 | 0 | 0 | 0 | 112.8 | V320 P324 S328 F333 L334 V397 | V320-L330 HydrophobicContact CG1-CD2 4.06Å; P324-L330 HydrophobicContact CB-CB 3.88Å; P324-L330 HydrophobicContact CB-CD2 3.98Å; P324-L330 HydrophobicContact CB-CG 3.81Å; P324-L330 HydrophobicContact CG-CD2 4.48Å; P324-L330 HydrophobicContact CG-CG 4.27Å; S328-L330 VanDerWaalsContact C-N 3.28Å; S328-L330 PolarHBondContact O-N 3.44Å; L330-F333 HydrophobicContact CD1-CD1 4.21Å; L330-F333 PolarHBondContact O-N 2.85Å; L330-L334 HydrophobicContact CD1-CD2 4.29Å; L330-L334 HydrophobicContact CD1-CG 4.11Å; L330-L334 HydrophobicContact CG-CG 4.44Å; L330-L334 WeakPolarHBondContact O-CG 3.13Å; L330-L334 PolarHBondContact O-N 2.73Å; L330-V397 HydrophobicContact CD1-CB 3.94Å; L330-V397 HydrophobicContact CD1-CG1 3.84Å; L330-V397 HydrophobicContact CD1-CG2 4.38Å |
| 331 | Y | 94.9 | Very high | 93.3 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 21% | 0.208 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 177.6 | 176.2 | -97.7 | 0 | 0 | 0 | 111.6 | K325 E326 S328 F329 K335 | K325-Y331 VanDerWaalsContact O-CB 3.25Å; K325-Y331 WeakPolarHBondContact O-CB 3.5Å; E326-Y331 HydrophobicContact CB-CE2 4.42Å; E326-Y331 HydrophobicContact CG-CD2 4.42Å; E326-Y331 HydrophobicContact CG-CE2 3.88Å; S328-Y331 WeakPolarHBondContact O-CB 3.2Å; S328-Y331 PolarHBondContact O-N 3.11Å; S328-Y331 VanDerWaalsContact O-N 3.08Å; S328-Y331 PolarHBondContact OG-N 2.9Å; F329-Y331 VanDerWaalsContact C-N 3.31Å; F329-Y331 PolarHBondContact O-N 2.91Å; Y331-K335 HydrophobicContact CD1-CD 4.5Å; Y331-K335 HydrophobicContact CE1-CD 4.03Å; Y331-K335 PolarHBondContact O-N 2.91Å; Y331-K335 VanDerWaalsContact OH-CE 3.22Å; Y331-K335 WeakPolarHBondContact OH-CE 3.44Å; Y331-K335 PolarHBondContact OH-NZ 2.64Å |
| 332 | Y | 94.3 | Very high | 93.1 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 28% | 0.282 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 176 | -68.9 | -59.8 | 0 | 0 | 0 | 112.1 | G327 S328 F329 K335 A336 M470 | G327-Y332 WeakPolarHBondContact O-CE2 3.47Å; S328-Y332 WeakPolarHBondContact O-CD2 3.21Å; S328-Y332 PolarHBondContact O-N 2.69Å; F329-Y332 PolarHBondContact O-N 3.35Å; Y332-K335 PolarHBondContact O-N 2.93Å; Y332-A336 WeakPolarHBondContact O-CB 3.38Å; Y332-A336 PolarHBondContact O-N 2.97Å; Y332-M470 HydrophobicContact CD1-CG 4.47Å; Y332-M470 HydrophobicContact CD1-SD 3.55Å; Y332-M470 VanDerWaalsContact CD1-SD 3.55Å; Y332-M470 HydrophobicContact CE1-SD 4.38Å; Y332-M470 HydrophobicContact CG-SD 3.86Å |
| 333 | F | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 177.1 | -177.2 | -125.4 | 0 | 0 | 0 | 112.4 | I302 F329 L330 K335 A336 L337 L399 L461 V464 | I302-F333 HydrophobicContact CD1-CD1 4.3Å; I302-F333 HydrophobicContact CD1-CE1 3.65Å; I302-F333 HydrophobicContact CD1-CE2 4.41Å; I302-F333 HydrophobicContact CD1-CZ 3.72Å; I302-F333 HydrophobicContact CG1-CE1 4.08Å; I302-F333 HydrophobicContact CG2-CE1 4.45Å; F329-F333 HydrophobicContact CD1-CB 4.27Å; F329-F333 HydrophobicContact CE1-CB 4.09Å; F329-F333 HydrophobicContact CE1-CG 4.28Å; F329-F333 VanDerWaalsContact O-CB 3.31Å; F329-F333 WeakPolarHBondContact O-CB 3.49Å; F329-F333 PolarHBondContact O-N 3.38Å; L330-F333 HydrophobicContact CD1-CD1 4.21Å; L330-F333 PolarHBondContact O-N 2.85Å; F333-K335 VanDerWaalsContact C-N 3.34Å; F333-K335 PolarHBondContact O-N 3.09Å; F333-A336 PolarHBondContact O-N 3Å; F333-L337 HydrophobicContact CD1-CD1 3.96Å; F333-L337 HydrophobicContact CD2-CD1 4.44Å; F333-L337 HydrophobicContact CD2-CG 4.15Å; F333-L337 HydrophobicContact CE1-CD1 3.57Å; F333-L337 HydrophobicContact CE1-CG 4.24Å; F333-L337 HydrophobicContact CE2-CD1 4.06Å; F333-L337 HydrophobicContact CE2-CD2 3.86Å; F333-L337 HydrophobicContact CE2-CG 3.8Å; F333-L337 HydrophobicContact CG-CD1 4.39Å; F333-L337 HydrophobicContact CG-CG 4.49Å; F333-L337 HydrophobicContact CZ-CD1 3.62Å; F333-L337 HydrophobicContact CZ-CD2 3.88Å; F333-L337 HydrophobicContact CZ-CG 3.86Å; F333-L337 WeakPolarHBondContact O-CB 3.37Å; F333-L337 VanDerWaalsContact O-CG 3.3Å; F333-L337 WeakPolarHBondContact O-CG 3.34Å; F333-L337 PolarHBondContact O-N 3.23Å; F333-L399 HydrophobicContact CE1-CD1 4.3Å; F333-L399 HydrophobicContact CZ-CD1 4.31Å; F333-L461 HydrophobicContact CD2-CD2 4.29Å; F333-L461 HydrophobicContact CE2-CB 4.46Å; F333-L461 HydrophobicContact CE2-CD2 3.8Å; F333-L461 HydrophobicContact CE2-CG 3.76Å; F333-L461 HydrophobicContact CZ-CD2 4.23Å; F333-L461 HydrophobicContact CZ-CG 4.25Å; F333-V464 VanDerWaalsContact CA-CG2 3.49Å; F333-V464 HydrophobicContact CB-CG2 4.02Å; F333-V464 HydrophobicContact CD2-CG2 4.3Å |
| 334 | L | 94.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 12% | 0.12 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 176.3 | -67 | -175.9 | 0 | 0 | 0 | 112.5 | A318 P324 L330 L337 N338 I368 M370 | A318-L334 HydrophobicContact CB-CD2 3.49Å; A318-L334 VanDerWaalsContact CB-CD2 3.49Å; P324-L334 HydrophobicContact CG-CD1 3.93Å; L330-L334 HydrophobicContact CD1-CD2 4.29Å; L330-L334 HydrophobicContact CD1-CG 4.11Å; L330-L334 HydrophobicContact CG-CG 4.44Å; L330-L334 WeakPolarHBondContact O-CG 3.13Å; L330-L334 PolarHBondContact O-N 2.73Å; L334-L337 HydrophobicContact CD2-CD1 4.28Å; L334-L337 PolarHBondContact O-N 3.24Å; L334-N338 PolarHBondContact O-N 2.98Å; L334-I368 HydrophobicContact CD2-CG2 4.42Å; L334-M370 HydrophobicContact CD1-CB 4.26Å; L334-M370 HydrophobicContact CD1-CG 4.01Å |
| 335 | K | 92.6 | Very high | 92.5 | Very high | 99 Ų | 99 | 46 Ų | 46 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 173.6 | -74.6 | -173.7 | 176.4 | -176.9 | 0 | 111.7 | Y331 Y332 F333 N338 V339 | Y331-K335 HydrophobicContact CD1-CD 4.5Å; Y331-K335 HydrophobicContact CE1-CD 4.03Å; Y331-K335 PolarHBondContact O-N 2.91Å; Y331-K335 VanDerWaalsContact OH-CE 3.22Å; Y331-K335 WeakPolarHBondContact OH-CE 3.44Å; Y331-K335 PolarHBondContact OH-NZ 2.64Å; Y332-K335 PolarHBondContact O-N 2.93Å; F333-K335 VanDerWaalsContact C-N 3.34Å; F333-K335 PolarHBondContact O-N 3.09Å; K335-N338 PolarHBondContact O-N 3.22Å; K335-V339 WeakPolarHBondContact O-CG2 3.44Å; K335-V339 PolarHBondContact O-N 2.86Å; K335-V339 VanDerWaalsContact O-N 3.17Å |
| 336 | A | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y332 F333 N338 V339 A340 R463 V464 | Y332-A336 WeakPolarHBondContact O-CB 3.38Å; Y332-A336 PolarHBondContact O-N 2.97Å; F333-A336 PolarHBondContact O-N 3Å; A336-N338 VanDerWaalsContact C-N 3.34Å; A336-N338 PolarHBondContact O-N 3.23Å; A336-V339 PolarHBondContact O-N 2.85Å; A336-A340 WeakPolarHBondContact O-CB 3.28Å; A336-A340 PolarHBondContact O-N 2.87Å; A336-R463 HydrophobicContact CB-CB 3.98Å; A336-V464 HydrophobicContact CB-CG2 4.04Å |
| 337 | L | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 174.5 | -73.2 | 174.6 | 0 | 0 | 0 | 112 | M316 F333 L334 V339 A340 S341 I368 L399 V456 I457 | M316-L337 HydrophobicContact CE-CD1 4.44Å; M316-L337 HydrophobicContact CE-CD2 4.17Å; F333-L337 HydrophobicContact CD1-CD1 3.96Å; F333-L337 HydrophobicContact CD2-CD1 4.44Å; F333-L337 HydrophobicContact CD2-CG 4.15Å; F333-L337 HydrophobicContact CE1-CD1 3.57Å; F333-L337 HydrophobicContact CE1-CG 4.24Å; F333-L337 HydrophobicContact CE2-CD1 4.06Å; F333-L337 HydrophobicContact CE2-CD2 3.86Å; F333-L337 HydrophobicContact CE2-CG 3.8Å; F333-L337 HydrophobicContact CG-CD1 4.39Å; F333-L337 HydrophobicContact CG-CG 4.49Å; F333-L337 HydrophobicContact CZ-CD1 3.62Å; F333-L337 HydrophobicContact CZ-CD2 3.88Å; F333-L337 HydrophobicContact CZ-CG 3.86Å; F333-L337 WeakPolarHBondContact O-CB 3.37Å; F333-L337 VanDerWaalsContact O-CG 3.3Å; F333-L337 WeakPolarHBondContact O-CG 3.34Å; F333-L337 PolarHBondContact O-N 3.23Å; L334-L337 HydrophobicContact CD2-CD1 4.28Å; L334-L337 PolarHBondContact O-N 3.24Å; L337-V339 VanDerWaalsContact C-N 3.28Å; L337-V339 PolarHBondContact O-N 3.49Å; L337-A340 PolarHBondContact O-N 2.83Å; L337-S341 WeakPolarHBondContact O-CB 3.15Å; L337-S341 PolarHBondContact O-N 2.79Å; L337-S341 PolarHBondContact O-OG 3.47Å; L337-I368 VanDerWaalsContact C-CG1 3.49Å; L337-I368 HydrophobicContact CB-CD1 4.27Å; L337-I368 HydrophobicContact CB-CG1 3.77Å; L337-I368 HydrophobicContact CB-CG2 4.39Å; L337-I368 WeakPolarHBondContact O-CG1 3.39Å; L337-L399 HydrophobicContact CD1-CD1 4.25Å; L337-L399 HydrophobicContact CD1-CD2 4.11Å; L337-V456 HydrophobicContact CD2-CG1 4.22Å; L337-I457 HydrophobicContact CD2-CG1 4.45Å |
| 338 | N | 92.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -31.5 | 177.7 | -169.9 | 63.6 | 0 | 0 | 0 | 112.6 | L334 K335 A336 S341 Q342 I368 | L334-N338 PolarHBondContact O-N 2.98Å; K335-N338 PolarHBondContact O-N 3.22Å; A336-N338 VanDerWaalsContact C-N 3.34Å; A336-N338 PolarHBondContact O-N 3.23Å; N338-S341 PolarHBondContact O-OG 2.73Å; N338-Q342 WeakPolarHBondContact O-CG 3.23Å; N338-I368 HydrophobicContact CB-CB 4.38Å; N338-I368 HydrophobicContact CB-CG1 4.33Å; N338-I368 PolarHBondContact OD1-N 2.98Å |
| 339 | V | 90.2 | Very high | 89.9 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.5 | -45.8 | 172.8 | 174 | 0 | 0 | 0 | 0 | 109.5 | K335 A336 L337 S341 Q342 L343 M474 | K335-V339 WeakPolarHBondContact O-CG2 3.44Å; K335-V339 PolarHBondContact O-N 2.86Å; K335-V339 VanDerWaalsContact O-N 3.17Å; A336-V339 PolarHBondContact O-N 2.85Å; L337-V339 VanDerWaalsContact C-N 3.28Å; L337-V339 PolarHBondContact O-N 3.49Å; V339-S341 VanDerWaalsContact C-N 3.29Å; V339-S341 PolarHBondContact O-N 3.45Å; V339-Q342 WeakPolarHBondContact O-CB 3.15Å; V339-Q342 PolarHBondContact O-N 3.21Å; V339-Q342 VanDerWaalsContact O-N 3.09Å; V339-L343 HydrophobicContact CG1-CD1 4.03Å; V339-L343 HydrophobicContact CG1-CG 4.36Å; V339-L343 WeakPolarHBondContact O-CG 3.49Å; V339-L343 PolarHBondContact O-N 3.24Å; V339-M474 HydrophobicContact CB-CB 4.49Å; V339-M474 HydrophobicContact CB-SD 4.21Å; V339-M474 HydrophobicContact CG1-CB 4.39Å; V339-M474 HydrophobicContact CG1-SD 4.27Å; V339-M474 HydrophobicContact CG2-CB 3.41Å; V339-M474 VanDerWaalsContact CG2-CB 3.41Å; V339-M474 HydrophobicContact CG2-CG 4.12Å; V339-M474 HydrophobicContact CG2-SD 3.76Å |
| 340 | A | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -37.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A336 L337 Q342 L343 H344 V456 E459 | A336-A340 WeakPolarHBondContact O-CB 3.28Å; A336-A340 PolarHBondContact O-N 2.87Å; L337-A340 PolarHBondContact O-N 2.83Å; A340-Q342 VanDerWaalsContact C-N 3.26Å; A340-Q342 PolarHBondContact O-N 3.46Å; A340-L343 PolarHBondContact O-N 2.88Å; A340-H344 PolarHBondContact O-CD2 2.86Å; A340-H344 PolarHBondContact O-N 3.36Å; A340-V456 HydrophobicContact CB-CG1 4.03Å; A340-V456 WeakPolarHBondContact CB-O 3.44Å; A340-E459 HydrophobicContact CB-CB 3.76Å; A340-E459 HydrophobicContact CB-CG 3.6Å |
| 341 | S | 92.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -27.3 | 177.4 | 67 | 0 | 0 | 0 | 0 | 113.2 | L337 N338 V339 H344 N366 R452 | L337-S341 WeakPolarHBondContact O-CB 3.15Å; L337-S341 PolarHBondContact O-N 2.79Å; L337-S341 PolarHBondContact O-OG 3.47Å; N338-S341 PolarHBondContact O-OG 2.73Å; V339-S341 VanDerWaalsContact C-N 3.29Å; V339-S341 PolarHBondContact O-N 3.45Å; S341-H344 VanDerWaalsContact O-O 3.13Å; S341-N366 WeakPolarHBondContact O-CB 3.25Å; S341-N366 PolarHBondContact OG-O 3.28Å; S341-R452 PolarHBondContact O-NH2 2.97Å; S341-R452 VanDerWaalsContact O-NH2 3.16Å |
| 342 | Q | 89.4 | Confident | 84.7 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -79.4 | -41.2 | 173.4 | -65.7 | 171.2 | -3.4 | 0 | 0 | 111.4 | N338 V339 A340 | N338-Q342 WeakPolarHBondContact O-CG 3.23Å; V339-Q342 WeakPolarHBondContact O-CB 3.15Å; V339-Q342 PolarHBondContact O-N 3.21Å; V339-Q342 VanDerWaalsContact O-N 3.09Å; A340-Q342 VanDerWaalsContact C-N 3.26Å; A340-Q342 PolarHBondContact O-N 3.46Å |
| 343 | L | 89.8 | Confident | 82.5 | Confident | 49 Ų | 49 | 51.9 Ų | 51.9 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 177.8 | -64.6 | 178 | 0 | 0 | 0 | 112.6 | V339 A340 R463 N478 P480 | V339-L343 HydrophobicContact CG1-CD1 4.03Å; V339-L343 HydrophobicContact CG1-CG 4.36Å; V339-L343 WeakPolarHBondContact O-CG 3.49Å; V339-L343 PolarHBondContact O-N 3.24Å; A340-L343 PolarHBondContact O-N 2.88Å; L343-R463 VanDerWaalsContact CD1-NH2 3.27Å; L343-N478 HydrophobicContact CD1-CB 4.45Å; L343-N478 WeakPolarHBondContact CD2-O 3.24Å; L343-P480 HydrophobicContact CB-CB 4.42Å |
| 344 | H | 91.2 | Very high | 80.2 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -102.1 | 83.4 | 174.3 | -59.8 | -63.5 | 0 | 0 | 0 | 109.9 | A340 S341 R452 V456 V482 | A340-H344 PolarHBondContact O-CD2 2.86Å; A340-H344 PolarHBondContact O-N 3.36Å; S341-H344 VanDerWaalsContact O-O 3.13Å; H344-R452 HydrophobicContact CB-CG 4.27Å; H344-R452 PolarHBondContact O-NE 2.82Å; H344-R452 PolarHBondContact O-NH2 3.45Å; H344-R452 VanDerWaalsContact O-NH2 3.16Å; H344-V456 HydrophobicContact CB-CG2 3.71Å; H344-V482 PolarHBondContact CE1-O 3.02Å; H344-V482 VanDerWaalsContact CE1-O 3.25Å |
| 345 | S | 87.2 | Confident | 77.6 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 140.1 | 179.1 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 346 | F | 86.5 | Confident | 75.2 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 2% | 0.022 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 140 | 173.6 | -160.9 | -89.2 | 0 | 0 | 0 | 110.3 | Q314 N348 L350 I351 N366 I449 | Q314-F346 HydrophobicContact CB-CB 4.31Å; Q314-F346 HydrophobicContact CB-CD1 4.46Å; Q314-F346 HydrophobicContact CB-CD2 3.96Å; Q314-F346 HydrophobicContact CB-CE2 4.38Å; Q314-F346 HydrophobicContact CB-CG 4Å; Q314-F346 HydrophobicContact CG-CB 4.3Å; Q314-F346 HydrophobicContact CG-CD1 3.85Å; Q314-F346 HydrophobicContact CG-CD2 4.24Å; Q314-F346 HydrophobicContact CG-CE1 4.18Å; Q314-F346 HydrophobicContact CG-CG 3.87Å; F346-N348 PolarHBondContact O-N 3.15Å; F346-L350 HydrophobicContact CE1-CB 4.09Å; F346-I351 HydrophobicContact CD1-CG1 4.44Å; F346-N366 WeakPolarHBondContact CB-OD1 3.44Å; F346-N366 PolarHBondContact N-ND2 3.22Å; F346-N366 VanDerWaalsContact N-ND2 3.15Å; F346-I449 HydrophobicContact CE1-CD1 4.26Å; F346-I449 HydrophobicContact CE2-CD1 4.07Å; F346-I449 HydrophobicContact CE2-CG1 4.24Å; F346-I449 HydrophobicContact CE2-CG2 4.45Å; F346-I449 HydrophobicContact CZ-CD1 3.49Å; F346-I449 VanDerWaalsContact CZ-CD1 3.49Å; F346-I449 HydrophobicContact CZ-CG1 4.01Å |
| 347 | P | 84.1 | Confident | 72.6 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 122.9 | -179.9 | -21.7 | 32.5 | 0 | 0 | 0 | 112.2 | E349 L350 V448 | P347-E349 VanDerWaalsContact C-N 3.29Å; P347-E349 PolarHBondContact O-N 3.07Å; P347-L350 HydrophobicContact CB-CD1 4.09Å; P347-L350 HydrophobicContact CB-CG 4.36Å; P347-L350 HydrophobicContact CG-CD1 4.21Å; P347-L350 PolarHBondContact O-N 3.32Å; P347-V448 HydrophobicContact CB-CG1 4.38Å; P347-V448 HydrophobicContact CG-CB 4.49Å; P347-V448 HydrophobicContact CG-CG1 3.62Å |
| 348 | N | 73.1 | Confident | 69.8 | Low | 129 Ų | 129 | 74.9 Ų | 74.9 | 69% | 0.69 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -62.8 | -33.7 | -175.6 | -70.4 | -20.4 | 0 | 0 | 0 | 113.4 | F346 L350 I351 | F346-N348 PolarHBondContact O-N 3.15Å; N348-L350 PolarHBondContact O-N 3.33Å; N348-I351 HydrophobicContact CB-CD1 4.45Å; N348-I351 WeakPolarHBondContact O-CB 3.27Å; N348-I351 WeakPolarHBondContact O-CG1 3.47Å; N348-I351 PolarHBondContact O-N 2.9Å; N348-I351 VanDerWaalsContact O-N 3.15Å |
| 349 | E | 68.8 | Low | 67.1 | Low | 165 Ų | 165 | 77.4 Ų | 77.4 | 77% | 0.771 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -61.4 | -28.1 | -178.3 | -66.9 | 163.9 | -165.4 | 0 | 0 | 112.6 | P347 | P347-E349 VanDerWaalsContact C-N 3.29Å; P347-E349 PolarHBondContact O-N 3.07Å |
| 350 | L | 67.8 | Low | 64.5 | Low | 33 Ų | 33 | 83.1 Ų | 83.1 | 17% | 0.173 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -87.6 | -5.9 | -177.7 | -59.9 | 174.9 | 0 | 0 | 0 | 113.2 | F346 P347 N348 I352 N446 I449 | F346-L350 HydrophobicContact CE1-CB 4.09Å; P347-L350 HydrophobicContact CB-CD1 4.09Å; P347-L350 HydrophobicContact CB-CG 4.36Å; P347-L350 HydrophobicContact CG-CD1 4.21Å; P347-L350 PolarHBondContact O-N 3.32Å; N348-L350 PolarHBondContact O-N 3.33Å; L350-I352 VanDerWaalsContact C-N 3.27Å; L350-I352 PolarHBondContact O-N 3.49Å; L350-N446 HydrophobicContact CD1-CB 4.46Å; L350-N446 WeakPolarHBondContact CD1-ND2 3.45Å; L350-N446 WeakPolarHBondContact CD2-ND2 3.26Å; L350-I449 HydrophobicContact CD1-CD1 3.6Å; L350-I449 HydrophobicContact CD1-CG1 3.62Å |
| 351 | I | 58.3 | Low | 61.8 | Low | 63 Ų | 63 | 91.7 Ų | 91.7 | 32% | 0.323 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -70.2 | -26.9 | 179.8 | -59.8 | 178.7 | 0 | 0 | 0 | 111.2 | F346 N348 H353 N354 | F346-I351 HydrophobicContact CD1-CG1 4.44Å; N348-I351 HydrophobicContact CB-CD1 4.45Å; N348-I351 WeakPolarHBondContact O-CB 3.27Å; N348-I351 WeakPolarHBondContact O-CG1 3.47Å; N348-I351 PolarHBondContact O-N 2.9Å; N348-I351 VanDerWaalsContact O-N 3.15Å; I351-H353 PolarHBondContact O-N 3.38Å; I351-H353 VanDerWaalsContact O-N 3.15Å; I351-N354 PolarHBondContact O-N 2.83Å |
| 352 | I | 50.2 | Low | 59.6 | Low | 119 Ų | 119 | 99 Ų | 99 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -64.2 | -24.2 | -171.2 | -57.2 | 174.4 | 0 | 0 | 0 | 112.8 | L350 H355 | L350-I352 VanDerWaalsContact C-N 3.27Å; L350-I352 PolarHBondContact O-N 3.49Å; I352-H355 PolarHBondContact O-CD2 2.72Å |
| 353 | H | 48.7 | Very low | 57.5 | Low | 152 Ų | 152 | 99.5 Ų | 99.5 | 70% | 0.704 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -85.5 | -10.6 | -178.3 | -74.2 | -70.5 | 0 | 0 | 0 | 115.2 | I351 H355 | I351-H353 PolarHBondContact O-N 3.38Å; I351-H353 VanDerWaalsContact O-N 3.15Å; H353-H355 PolarHBondContact O-N 3.17Å |
| 354 | N | 46.6 | Very low | 55.6 | Low | 33 Ų | 33 | 104.3 Ų | 104.3 | 18% | 0.176 | 56% | 0.557 | C | S | . | * | trans | -94.8 | 52.4 | -179.1 | -72.6 | -21.4 | 0 | 0 | 0 | 112.2 | P310 I351 Q356 | P310-N354 PolarHBondContact O-ND2 3.19Å; I351-N354 PolarHBondContact O-N 2.83Å; N354-Q356 PolarHBondContact O-N 2.93Å; N354-Q356 VanDerWaalsContact O-N 3.16Å | ||
| 355 | H | 40.6 | Very low | 54 | Low | 146 Ų | 146 | 106.9 Ų | 106.9 | 68% | 0.676 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 2 | 177.9 | -101 | -64.7 | 0 | 0 | 0 | 115 | I352 H353 | I352-H355 PolarHBondContact O-CD2 2.72Å; H353-H355 PolarHBondContact O-N 3.17Å |
| 356 | Q | 41.7 | Very low | 52.9 | Low | 200 Ų | 200 | 103.7 Ų | 103.7 | 94% | 0.935 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 3.6 | 177.9 | -80 | -173.7 | -22.3 | 0 | 0 | 115.4 | N354 | N354-Q356 PolarHBondContact O-N 2.93Å; N354-Q356 VanDerWaalsContact O-N 3.16Å |
| 357 | S | 39.4 | Very low | 52.7 | Low | 89 Ų | 89 | 104.9 Ų | 104.9 | 62% | 0.622 | 56% | 0.557 | S | S | * | * | trans | -138.6 | 60.8 | 170 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 358 | L | 36.2 | Very low | 53 | Low | 137 Ų | 137 | 104.5 Ų | 104.5 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | trans | -106.3 | 11.7 | 165.4 | -106.3 | 108.4 | 0 | 0 | 0 | 113.2 | N360 | L358-N360 PolarHBondContact O-N 2.69Š| ||
| 359 | S | 35.6 | Very low | 53.9 | Low | 98 Ų | 98 | 102.1 Ų | 102.1 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -89.3 | 90.4 | 164.1 | 62.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 360 | N | 35.2 | Very low | 55.1 | Low | 128 Ų | 128 | 98.3 Ų | 98.3 | 68% | 0.684 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 148.2 | 133.8 | 146 | -72.1 | -13.9 | 0 | 0 | 0 | 109.1 | L358 E362 | L358-N360 PolarHBondContact O-N 2.69Å; N360-E362 HydrophobicContact CB-CG 4.48Å; N360-E362 PolarHBondContact O-N 3.13Å |
| 361 | N | 36.1 | Very low | 56.5 | Low | 180 Ų | 180 | 99.2 Ų | 99.2 | 96% | 0.963 | 53% | 0.526 | S | S | * | . | trans | -65 | 42.1 | 169.9 | -69.7 | -35.6 | 0 | 0 | 0 | 112.2 | S363 | N361-S363 PolarHBondContact O-N 3.37Š| ||
| 362 | E | 45.6 | Very low | 58.2 | Low | 154 Ų | 154 | 99.9 Ų | 99.9 | 72% | 0.72 | 53% | 0.528 | S | S | * | . | trans | -72.6 | 115.9 | 162.8 | -75.4 | -174.7 | 174.8 | 0 | 0 | 106.1 | N360 N364 | N360-E362 HydrophobicContact CB-CG 4.48Å; N360-E362 PolarHBondContact O-N 3.13Å; E362-N364 PolarHBondContact O-N 2.86Å | ||
| 363 | S | 44.8 | Very low | 60.2 | Low | 83 Ų | 83 | 97.2 Ų | 97.2 | 58% | 0.58 | 51% | 0.512 | S | S | * | . | trans | -37.1 | 132.8 | 175.6 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | N361 T365 | N361-S363 PolarHBondContact O-N 3.37Å; S363-T365 PolarHBondContact O-N 2.76Å; S363-T365 PolarHBondContact O-OG1 3.29Å; S363-T365 PolarHBondContact OG-OG1 3.42Å | ||
| 364 | N | 48.9 | Very low | 62.3 | Low | 150 Ų | 150 | 97.8 Ų | 97.8 | 80% | 0.802 | 51% | 0.512 | S | S | * | . | trans | -58.2 | 45.9 | 172.3 | -78.1 | -23.1 | 0 | 0 | 0 | 113.4 | E362 N366 | E362-N364 PolarHBondContact O-N 2.86Å; N364-N366 PolarHBondContact O-N 2.87Å | ||
| 365 | T | 57.7 | Low | 64.2 | Low | 66 Ų | 66 | 98.1 Ų | 98.1 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | trans | -91.7 | 105.9 | -177.1 | 51.7 | 0 | 0 | 0 | 0 | 107.7 | S363 T367 | S363-T365 PolarHBondContact O-N 2.76Å; S363-T365 PolarHBondContact O-OG1 3.29Å; S363-T365 PolarHBondContact OG-OG1 3.42Å; T365-T367 WeakPolarHBondContact O-CG2 3.33Å; T365-T367 PolarHBondContact O-N 2.8Å; T365-T367 PolarHBondContact O-OG1 3.37Å | ||
| 366 | N | 64.7 | Low | 66.3 | Low | 18 Ų | 18 | 94.3 Ų | 94.3 | 10% | 0.096 | 50% | 0.498 | C | S | . | . | trans | -53 | 98.8 | 163.3 | -70 | -35.3 | 0 | 0 | 0 | 108.9 | Q314 S341 F346 N364 | Q314-N366 WeakPolarHBondContact CB-OD1 3.48Å; Q314-N366 PolarHBondContact OE1-OD1 3.26Å; S341-N366 WeakPolarHBondContact O-CB 3.25Å; S341-N366 PolarHBondContact OG-O 3.28Å; F346-N366 WeakPolarHBondContact CB-OD1 3.44Å; F346-N366 PolarHBondContact N-ND2 3.22Å; F346-N366 VanDerWaalsContact N-ND2 3.15Å; N364-N366 PolarHBondContact O-N 2.87Å | ||
| 367 | T | 82.9 | Confident | 68.3 | Low | 30 Ų | 30 | 88.7 Ų | 88.7 | 18% | 0.184 | 47% | 0.474 | C | S | . | . | trans | -119.2 | 154.8 | -172.6 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | N315 M316 T365 | N315-T367 WeakPolarHBondContact CA-O 3.22Å; N315-T367 WeakPolarHBondContact CB-O 3.42Å; N315-T367 PolarHBondContact OD1-N 2.82Å; N315-T367 VanDerWaalsContact OD1-N 3.09Å; N315-T367 PolarHBondContact OD1-O 3.38Å; N315-T367 PolarHBondContact OD1-OG1 3.1Å; M316-T367 PolarHBondContact N-O 3.23Å; T365-T367 WeakPolarHBondContact O-CG2 3.33Å; T365-T367 PolarHBondContact O-N 2.8Å; T365-T367 PolarHBondContact O-OG1 3.37Å | ||
| 368 | I | 90.3 | Very high | 70.2 | Confident | 22 Ų | 22 | 91.6 Ų | 91.6 | 11% | 0.113 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113.2 | 168.6 | -56.1 | -61.8 | 0 | 0 | 0 | 107.5 | M316 A318 L334 L337 N338 | M316-I368 HydrophobicContact CB-CD1 3.75Å; M316-I368 HydrophobicContact CE-CD1 3.43Å; M316-I368 VanDerWaalsContact CE-CD1 3.43Å; M316-I368 HydrophobicContact CG-CD1 4.41Å; M316-I368 WeakPolarHBondContact O-CA 3.37Å; A318-I368 HydrophobicContact CB-CG2 4.37Å; L334-I368 HydrophobicContact CD2-CG2 4.42Å; L337-I368 VanDerWaalsContact C-CG1 3.49Å; L337-I368 HydrophobicContact CB-CD1 4.27Å; L337-I368 HydrophobicContact CB-CG1 3.77Å; L337-I368 HydrophobicContact CB-CG2 4.39Å; L337-I368 WeakPolarHBondContact O-CG1 3.39Å; N338-I368 HydrophobicContact CB-CB 4.38Å; N338-I368 HydrophobicContact CB-CG1 4.33Å; N338-I368 PolarHBondContact OD1-N 2.98Å |
| 369 | Q | 92.7 | Very high | 72.3 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.5 | 179.9 | -65.3 | -169 | 4.2 | 0 | 0 | 110 | N315 M316 Y317 A318 | N315-Q369 PolarHBondContact ND2-NE2 2.81Å; N315-Q369 VanDerWaalsContact ND2-NE2 3.18Å; M316-Q369 PolarHBondContact O-N 2.62Å; Y317-Q369 CarbonylContact C-O 3.56Å; Y317-Q369 VanDerWaalsContact CA-O 3.29Å; Y317-Q369 WeakPolarHBondContact CA-O 3.24Å; Y317-Q369 HydrophobicContact CD1-CB 3.78Å; Y317-Q369 HydrophobicContact CE1-CB 3.99Å; Y317-Q369 HydrophobicContact CE1-CG 4.44Å; A318-Q369 PolarHBondContact N-O 3.43Å |
| 370 | M | 94.2 | Very high | 74.5 | Confident | 85 Ų | 85 | 91.1 Ų | 91.1 | 42% | 0.419 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.8 | 176.5 | -176.8 | -84.6 | -68.1 | 0 | 0 | 110 | A318 V320 L334 H372 | A318-M370 WeakPolarHBondContact O-CA 3.17Å; V320-M370 HydrophobicContact CG2-CG 3.85Å; V320-M370 HydrophobicContact CG2-SD 3.45Å; V320-M370 WeakPolarHBondContact CG2-SD 3.37Å; L334-M370 HydrophobicContact CD1-CB 4.26Å; L334-M370 HydrophobicContact CD1-CG 4.01Å; M370-H372 HydrophobicContact SD-CB 3.79Å |
| 371 | I | 95.2 | Very high | 76.9 | Confident | 53 Ų | 53 | 90 Ų | 90 | 27% | 0.272 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 112.2 | 177.5 | -61.8 | 176.9 | 0 | 0 | 0 | 108.1 | Y317 A318 H319 V320 P403 | Y317-I371 HydrophobicContact CD1-CD1 3.49Å; Y317-I371 VanDerWaalsContact CD1-CD1 3.49Å; Y317-I371 HydrophobicContact CD1-CG1 4.19Å; Y317-I371 HydrophobicContact CE1-CD1 4.26Å; Y317-I371 HydrophobicContact CG-CD1 4.06Å; A318-I371 PolarHBondContact O-N 3Å; H319-I371 WeakPolarHBondContact CA-O 3.24Å; V320-I371 PolarHBondContact N-O 3.49Å; I371-P403 WeakPolarHBondContact CD1-O 3.38Å |
| 372 | H | 94.7 | Very high | 79.6 | Confident | 77 Ų | 77 | 82.1 Ų | 82.1 | 36% | 0.356 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.6 | 177.7 | 169.8 | -115.8 | 0 | 0 | 0 | 111.3 | V320 S321 M370 | V320-H372 HydrophobicContact CG2-CB 4.12Å; V320-H372 WeakPolarHBondContact O-CA 3.29Å; S321-H372 PolarHBondContact O-NE2 3.2Å; M370-H372 HydrophobicContact SD-CB 3.79Å |
| 373 | K | 92.8 | Very high | 81.8 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 27% | 0.27 | 39% | 0.385 | S | S | . | . | trans | -134.5 | 123.1 | 172.1 | 174.4 | -174.4 | 164.7 | -113.1 | 0 | 108.9 | V320 S321 E387 | V320-K373 PolarHBondContact O-N 2.96Å; S321-K373 WeakPolarHBondContact CA-O 3.41Å; K373-E387 IonicContact NZ-OE1 3.29Å; K373-E387 PolarHBondContact NZ-OE1 3.32Å; K373-E387 IonicContact NZ-OE2 2.71Å | ||
| 374 | K | 91.5 | Very high | 84.2 | Confident | 164 Ų | 164 | 71.4 Ų | 71.4 | 71% | 0.713 | 36% | 0.359 | S | S | * | . | trans | -67.1 | 140.2 | 172.9 | -66.6 | -176.4 | 179.6 | 178.7 | 0 | 110.6 | N376 | K374-N376 PolarHBondContact O-N 3.06Š| ||
| 375 | I | 87.8 | Confident | 86.5 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 21% | 0.205 | 32% | 0.321 | C | S | . | . | trans | -66.2 | 126.5 | 174.6 | -56.7 | 165.9 | 0 | 0 | 0 | 108.7 | S321 L377 L382 E387 I391 | S321-I375 WeakPolarHBondContact OG-CD1 3.36Å; S321-I375 WeakPolarHBondContact OG-CG1 3.28Å; I375-L377 HydrophobicContact CG2-CD2 4.32Å; I375-L382 HydrophobicContact CG2-CD2 4.45Å; I375-E387 HydrophobicContact CD1-CB 4.28Å; I375-E387 HydrophobicContact CG1-CB 4.19Å; I375-E387 HydrophobicContact CG1-CG 4.03Å; I375-I391 HydrophobicContact CD1-CG1 4.17Å; I375-I391 HydrophobicContact CG2-CG1 4.34Å | ||
| 376 | N | 85.3 | Confident | 88.4 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | trans | -93.4 | 103.2 | 174.1 | -173.7 | -4 | 0 | 0 | 0 | 109.1 | K374 N378 Q379 | K374-N376 PolarHBondContact O-N 3.06Å; N376-N378 PolarHBondContact O-N 3.3Å; N376-N378 VanDerWaalsContact O-N 3.16Å; N376-N378 WeakPolarHBondContact OD1-CB 3.5Å; N376-N378 PolarHBondContact OD1-N 2.87Å; N376-N378 VanDerWaalsContact OD1-N 3.1Å; N376-Q379 HydrophobicContact CB-CB 4.42Å; N376-Q379 HydrophobicContact CB-CG 4.13Å; N376-Q379 PolarHBondContact O-N 3.43Å; N376-Q379 VanDerWaalsContact O-N 3.1Å | ||
| 377 | L | 82.2 | Confident | 89.8 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.6 | -179.6 | -62 | 172.9 | 0 | 0 | 0 | 113.5 | I375 Q379 A612 | I375-L377 HydrophobicContact CG2-CD2 4.32Å; L377-Q379 VanDerWaalsContact C-N 3.34Å; L377-A612 HydrophobicContact CB-CB 4.19Å; L377-A612 HydrophobicContact CD2-CB 3.67Å |
| 378 | N | 80.2 | Confident | 90.4 | Very high | 151 Ų | 151 | 59.5 Ų | 59.5 | 81% | 0.807 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.9 | 176 | -57.1 | -15.1 | 0 | 0 | 0 | 112.4 | N376 | N376-N378 PolarHBondContact O-N 3.3Å; N376-N378 VanDerWaalsContact O-N 3.16Å; N376-N378 WeakPolarHBondContact OD1-CB 3.5Å; N376-N378 PolarHBondContact OD1-N 2.87Å; N376-N378 VanDerWaalsContact OD1-N 3.1Å |
| 379 | Q | 81.1 | Confident | 90.6 | Very high | 97 Ų | 97 | 58.4 Ų | 58.4 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | trans | -94.8 | 128.4 | 175.5 | -73.2 | 178.9 | -37.2 | 0 | 0 | 109.6 | N376 L377 I381 | N376-Q379 HydrophobicContact CB-CB 4.42Å; N376-Q379 HydrophobicContact CB-CG 4.13Å; N376-Q379 PolarHBondContact O-N 3.43Å; N376-Q379 VanDerWaalsContact O-N 3.1Å; L377-Q379 VanDerWaalsContact C-N 3.34Å; Q379-I381 VanDerWaalsContact C-N 3.34Å | ||
| 380 | E | 80.2 | Confident | 90.7 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 59% | 0.593 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -71.3 | -33.3 | 177.1 | -64.4 | 179.1 | 172.8 | 0 | 0 | 111.6 | N274 | N274-E380 PolarHBondContact ND2-O 2.58Š|
| 381 | I | 86.6 | Confident | 90.6 | Very high | 105 Ų | 105 | 52 Ų | 52 | 54% | 0.538 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -98.6 | 122.8 | -178.4 | -56.8 | 173 | 0 | 0 | 0 | 110.2 | F53 Q379 | F53-I381 HydrophobicContact CE1-CD1 4.26Å; F53-I381 HydrophobicContact CE1-CG1 4.23Å; Q379-I381 VanDerWaalsContact C-N 3.34Å |
| 382 | L | 92.1 | Very high | 90.4 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | trans | -79.3 | 147.9 | 175.5 | -60.3 | -178.9 | 0 | 0 | 0 | 111.3 | N274 F275 I375 E387 R388 I391 | N274-L382 WeakPolarHBondContact OD1-CB 3.35Å; N274-L382 PolarHBondContact OD1-N 3.4Å; F275-L382 HydrophobicContact CD2-CB 4.31Å; F275-L382 HydrophobicContact CE2-CB 4.37Å; I375-L382 HydrophobicContact CG2-CD2 4.45Å; L382-E387 WeakPolarHBondContact CA-OE2 3.48Å; L382-E387 HydrophobicContact CB-CB 4.3Å; L382-E387 WeakPolarHBondContact CB-OE2 3.5Å; L382-E387 HydrophobicContact CD1-CB 4.13Å; L382-E387 HydrophobicContact CD2-CB 4.19Å; L382-E387 HydrophobicContact CG-CB 4.45Å; L382-R388 VanDerWaalsContact CD1-CD 3.5Å; L382-R388 HydrophobicContact CD1-CG 3.68Å; L382-R388 VanDerWaalsContact CD1-CZ 3.43Å; L382-I391 HydrophobicContact CD1-CD1 4.1Å; L382-I391 HydrophobicContact CD2-CD1 4.08Å | ||
| 383 | A | 92 | Very high | 90.3 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -83.1 | -31.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E387 I405 R412 | A383-E387 PolarHBondContact N-OE2 2.83Å; A383-I405 HydrophobicContact CB-CD1 3.56Å; A383-I405 HydrophobicContact CB-CG1 3.78Å; A383-I405 VanDerWaalsContact O-CD1 3.24Å; A383-I405 WeakPolarHBondContact O-CD1 3.2Å; A383-R412 VanDerWaalsContact O-CZ 3.29Å; A383-R412 PolarHBondContact O-NH1 2.79Å; A383-R412 PolarHBondContact O-NH2 3.03Å |
| 384 | W | 95.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -145.3 | 149.4 | -172.8 | -61.9 | 105.2 | 0 | 0 | 0 | 110.3 | F275 E305 H319 H386 E387 T398 W402 A408 | F275-W384 VanDerWaalsContact CE2-C 3.41Å; E305-W384 VanDerWaalsContact OE2-CZ3 3.29Å; E305-W384 WeakPolarHBondContact OE2-CZ3 3.15Å; H319-W384 HydrophobicContact CB-CD2 4.18Å; H319-W384 HydrophobicContact CB-CG 4.24Å; H319-W384 AromaticContact CD2-CE2 3.89Å; H319-W384 AromaticContact CD2-CH2 3.66Å; H319-W384 AromaticContact CD2-CZ2 3.68Å; H319-W384 AromaticContact CD2-CZ3 3.89Å; H319-W384 AromaticContact CE1-CH2 3.78Å; H319-W384 AromaticContact CE1-CZ2 3.4Å; H319-W384 WeakPolarHBondContact CE1-CZ2 3.35Å; H319-W384 AromaticContact CG-CE2 3.6Å; H319-W384 AromaticContact CG-CZ2 3.71Å; H319-W384 AromaticContact CG-NE1 3.88Å; H319-W384 AromaticContact ND1-CE2 3.72Å; H319-W384 AromaticContact ND1-CZ2 3.55Å; H319-W384 AromaticContact ND1-NE1 3.88Å; H319-W384 AromaticContact NE2-CH2 3.4Å; H319-W384 WeakPolarHBondContact NE2-CH2 3.3Å; H319-W384 AromaticContact NE2-CZ2 3.49Å; H319-W384 WeakPolarHBondContact NE2-CZ2 3.47Å; W384-H386 VanDerWaalsContact CB-ND1 3.34Å; W384-H386 WeakPolarHBondContact CB-ND1 3.44Å; W384-H386 PolarHBondContact O-N 2.87Å; W384-E387 HydrophobicContact CB-CG 4.35Å; W384-E387 WeakPolarHBondContact O-CB 3.42Å; W384-E387 PolarHBondContact O-N 3.13Å; W384-T398 HydrophobicContact CD2-CG2 4.5Å; W384-T398 HydrophobicContact CE3-CG2 3.67Å; W384-T398 HydrophobicContact CZ3-CG2 4.2Å; W384-W402 HydrophobicContact CH2-CB 4.4Å; W384-W402 HydrophobicContact CH2-CE3 4.04Å; W384-W402 HydrophobicContact CZ3-CE3 4.02Å; W384-W402 HydrophobicContact CZ3-CZ3 4.48Å; W384-A408 HydrophobicContact CH2-CB 3.68Å; W384-A408 HydrophobicContact CZ2-CB 4.16Å; W384-A408 HydrophobicContact CZ3-CB 4.26Å |
| 385 | E | 96.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -35.7 | -178 | -168.5 | 174.1 | -155.9 | 0 | 0 | 112.4 | C215 T268 F275 S278 C303 E387 R388 F389 | C215-E385 VanDerWaalsContact SG-CD 3.5Å; C215-E385 PolarHBondContact SG-OE1 3.15Å; T268-E385 PolarHBondContact OG1-OE1 3.02Å; F275-E385 HydrophobicContact CB-CG 4.32Å; F275-E385 HydrophobicContact CD1-CB 3.55Å; F275-E385 HydrophobicContact CD1-CG 3.64Å; F275-E385 HydrophobicContact CE1-CB 3.58Å; F275-E385 HydrophobicContact CE1-CG 4.19Å; F275-E385 HydrophobicContact CG-CB 4.08Å; F275-E385 HydrophobicContact CG-CG 4.04Å; F275-E385 HydrophobicContact CZ-CB 4.12Å; F275-E385 VanDerWaalsContact CZ-N 3.31Å; S278-E385 PolarHBondContact OG-OE1 3.17Å; C303-E385 HydrophobicContact CB-CB 4.06Å; E385-E387 PolarHBondContact O-N 3.25Å; E385-E387 VanDerWaalsContact O-N 3.09Å; E385-R388 WeakPolarHBondContact O-CB 3.24Å; E385-R388 PolarHBondContact O-N 3.24Å; E385-F389 HydrophobicContact CG-CE2 4.21Å |
| 386 | H | 97.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -24.3 | 179.5 | 82.6 | -89.7 | 0 | 0 | 0 | 113 | H319 S321 W384 R388 F389 S390 S396 T398 | H319-H386 PolarHBondContact O-CE1 3.23Å; H319-H386 PolarHBondContact O-ND1 3.3Å; S321-H386 PolarHBondContact N-NE2 2.97Å; S321-H386 PolarHBondContact OG-CD2 2.95Å; S321-H386 PolarHBondContact OG-NE2 2.75Å; W384-H386 VanDerWaalsContact CB-ND1 3.34Å; W384-H386 WeakPolarHBondContact CB-ND1 3.44Å; W384-H386 PolarHBondContact O-N 2.87Å; H386-R388 PolarHBondContact O-N 3.01Å; H386-F389 PolarHBondContact O-N 3.1Å; H386-S390 WeakPolarHBondContact O-CB 3.46Å; H386-S390 PolarHBondContact O-N 3.26Å; H386-S396 PolarHBondContact O-OG 2.89Å; H386-T398 WeakPolarHBondContact CB-OG1 3.26Å; H386-T398 PolarHBondContact N-OG1 3.3Å; H386-T398 PolarHBondContact ND1-OG1 2.57Å |
| 387 | E | 95.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -32.9 | 178 | -62.5 | -173.8 | 166.6 | 0 | 0 | 110.4 | K373 I375 L382 A383 W384 E385 F389 S390 I391 | K373-E387 IonicContact NZ-OE1 3.29Å; K373-E387 PolarHBondContact NZ-OE1 3.32Å; K373-E387 IonicContact NZ-OE2 2.71Å; I375-E387 HydrophobicContact CD1-CB 4.28Å; I375-E387 HydrophobicContact CG1-CB 4.19Å; I375-E387 HydrophobicContact CG1-CG 4.03Å; L382-E387 WeakPolarHBondContact CA-OE2 3.48Å; L382-E387 HydrophobicContact CB-CB 4.3Å; L382-E387 WeakPolarHBondContact CB-OE2 3.5Å; L382-E387 HydrophobicContact CD1-CB 4.13Å; L382-E387 HydrophobicContact CD2-CB 4.19Å; L382-E387 HydrophobicContact CG-CB 4.45Å; A383-E387 PolarHBondContact N-OE2 2.83Å; W384-E387 HydrophobicContact CB-CG 4.35Å; W384-E387 WeakPolarHBondContact O-CB 3.42Å; W384-E387 PolarHBondContact O-N 3.13Å; E385-E387 PolarHBondContact O-N 3.25Å; E385-E387 VanDerWaalsContact O-N 3.09Å; E387-F389 PolarHBondContact O-N 3.1Å; E387-S390 PolarHBondContact O-N 2.81Å; E387-I391 WeakPolarHBondContact O-CD1 3.44Å; E387-I391 VanDerWaalsContact O-CG1 3.24Å; E387-I391 WeakPolarHBondContact O-CG1 3.38Å; E387-I391 PolarHBondContact O-N 2.92Å |
| 388 | R | 93.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.1 | -49.2 | 174.2 | -74.5 | -69 | 176.6 | -150.6 | -10 | 111.9 | N274 F275 L282 L382 E385 H386 H392 I617 | N274-R388 PolarHBondContact ND2-NH2 3.06Å; N274-R388 PolarHBondContact O-NE 3.35Å; N274-R388 PolarHBondContact O-NH2 3.08Å; N274-R388 PolarHBondContact OD1-NH2 2.81Å; F275-R388 HydrophobicContact CB-CG 3.87Å; L282-R388 HydrophobicContact CD1-CB 4.13Å; L382-R388 VanDerWaalsContact CD1-CD 3.5Å; L382-R388 HydrophobicContact CD1-CG 3.68Å; L382-R388 VanDerWaalsContact CD1-CZ 3.43Å; E385-R388 WeakPolarHBondContact O-CB 3.24Å; E385-R388 PolarHBondContact O-N 3.24Å; H386-R388 PolarHBondContact O-N 3.01Å; R388-H392 PolarHBondContact O-CD2 3.3Å; R388-I617 VanDerWaalsContact NH2-CD1 3.33Å |
| 389 | F | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.7 | -40.6 | 179.3 | -60.5 | -83.7 | 0 | 0 | 0 | 111.8 | L266 W281 L282 V301 E385 H386 E387 I391 H392 R393 L394 | L266-F389 HydrophobicContact CD2-CZ 4.24Å; W281-F389 HydrophobicContact CE3-CE1 4.29Å; W281-F389 HydrophobicContact CZ3-CE1 4.11Å; L282-F389 HydrophobicContact CD1-CD1 4.1Å; L282-F389 HydrophobicContact CD1-CE1 4.34Å; L282-F389 HydrophobicContact CD2-CD1 3.91Å; L282-F389 HydrophobicContact CD2-CE1 4.13Å; L282-F389 HydrophobicContact CG-CD1 4.35Å; L282-F389 HydrophobicContact CG-CE1 4.33Å; V301-F389 HydrophobicContact CB-CB 4.46Å; V301-F389 HydrophobicContact CB-CD1 4.41Å; V301-F389 HydrophobicContact CB-CG 4.25Å; V301-F389 HydrophobicContact CG1-CD1 3.96Å; V301-F389 HydrophobicContact CG1-CD2 3.78Å; V301-F389 HydrophobicContact CG1-CE1 4.04Å; V301-F389 HydrophobicContact CG1-CE2 3.85Å; V301-F389 HydrophobicContact CG1-CG 3.82Å; V301-F389 HydrophobicContact CG1-CZ 3.99Å; V301-F389 HydrophobicContact CG2-CB 4.25Å; V301-F389 HydrophobicContact CG2-CD1 3.89Å; V301-F389 HydrophobicContact CG2-CE1 4.48Å; V301-F389 HydrophobicContact CG2-CG 4.1Å; E385-F389 HydrophobicContact CG-CE2 4.21Å; H386-F389 PolarHBondContact O-N 3.1Å; E387-F389 PolarHBondContact O-N 3.1Å; F389-I391 VanDerWaalsContact C-N 3.3Å; F389-I391 PolarHBondContact O-N 3.27Å; F389-H392 CarbonylContact O-C 3.58Å; F389-H392 PolarHBondContact O-N 2.82Å; F389-H392 VanDerWaalsContact O-N 3.08Å; F389-R393 PolarHBondContact O-N 3.17Å; F389-L394 HydrophobicContact CB-CB 4.1Å; F389-L394 HydrophobicContact CB-CD1 4.33Å; F389-L394 HydrophobicContact CD1-CD1 3.97Å; F389-L394 WeakPolarHBondContact O-CB 3.21Å; F389-L394 PolarHBondContact O-N 3.49Å; F389-L394 VanDerWaalsContact O-N 3.08Å |
| 390 | S | 94.5 | Very high | 94.1 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65 | -30.8 | -179.9 | -86.9 | 0 | 0 | 0 | 0 | 113.3 | H386 E387 H392 R393 S396 | H386-S390 WeakPolarHBondContact O-CB 3.46Å; H386-S390 PolarHBondContact O-N 3.26Å; E387-S390 PolarHBondContact O-N 2.81Å; S390-H392 VanDerWaalsContact C-N 3.28Å; S390-H392 PolarHBondContact O-N 3.24Å; S390-R393 WeakPolarHBondContact O-CA 3.06Å; S390-R393 PolarHBondContact O-N 3.25Å; S390-S396 PolarHBondContact N-OG 2.94Å; S390-S396 PolarHBondContact OG-OG 2.77Å |
| 391 | I | 92.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 8% | 0.082 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 172.4 | -73.2 | 163.1 | 0 | 0 | 0 | 111 | I375 L382 E387 F389 R393 S610 A613 | I375-I391 HydrophobicContact CD1-CG1 4.17Å; I375-I391 HydrophobicContact CG2-CG1 4.34Å; L382-I391 HydrophobicContact CD1-CD1 4.1Å; L382-I391 HydrophobicContact CD2-CD1 4.08Å; E387-I391 WeakPolarHBondContact O-CD1 3.44Å; E387-I391 VanDerWaalsContact O-CG1 3.24Å; E387-I391 WeakPolarHBondContact O-CG1 3.38Å; E387-I391 PolarHBondContact O-N 2.92Å; F389-I391 VanDerWaalsContact C-N 3.3Å; F389-I391 PolarHBondContact O-N 3.27Å; I391-R393 PolarHBondContact O-N 2.84Å; I391-S610 WeakPolarHBondContact CG2-OG 3.27Å; I391-A613 HydrophobicContact CG2-CB 3.31Å |
| 392 | H | 91.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 13.4 Ų | 13.4 | 3% | 0.032 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 17.3 | 174.5 | -67 | -83 | 0 | 0 | 0 | 113.3 | I286 R388 F389 S390 L394 I607 | I286-H392 WeakPolarHBondContact CD1-CE1 3.44Å; I286-H392 VanDerWaalsContact CD1-ND1 3.29Å; I286-H392 WeakPolarHBondContact CD1-ND1 3.36Å; R388-H392 PolarHBondContact O-CD2 3.3Å; F389-H392 CarbonylContact O-C 3.58Å; F389-H392 PolarHBondContact O-N 2.82Å; F389-H392 VanDerWaalsContact O-N 3.08Å; S390-H392 VanDerWaalsContact C-N 3.28Å; S390-H392 PolarHBondContact O-N 3.24Å; H392-L394 HydrophobicContact CB-CG 4.42Å; H392-L394 PolarHBondContact O-N 3.28Å; H392-I607 HydrophobicContact CB-CG2 4.1Å |
| 393 | R | 92.5 | Very high | 95.1 | Very high | 127 Ų | 127 | 14.7 Ų | 14.7 | 48% | 0.479 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 15.7 | 178.4 | -53.4 | 177.8 | 171.5 | -171.1 | -6.2 | 114.9 | F389 S390 I391 M606 | F389-R393 PolarHBondContact O-N 3.17Å; S390-R393 WeakPolarHBondContact O-CA 3.06Å; S390-R393 PolarHBondContact O-N 3.25Å; I391-R393 PolarHBondContact O-N 2.84Å; R393-M606 PolarHBondContact NH1-O 3.45Å |
| 394 | L | 94.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 15.8 Ų | 15.8 | 6% | 0.058 | 8% | 0.083 | C | C | . | . | trans | -76.8 | 129.2 | 173.2 | -56.2 | 172.9 | 0 | 0 | 0 | 109.2 | L282 L295 V298 V301 F389 H392 S396 | L282-L394 HydrophobicContact CD2-CD1 3.71Å; L295-L394 HydrophobicContact CD2-CD1 4.07Å; L295-L394 WeakPolarHBondContact O-CD2 3.41Å; V298-L394 HydrophobicContact CB-CD2 4.13Å; V298-L394 HydrophobicContact CG1-CD2 4.44Å; V301-L394 HydrophobicContact CG2-CB 4.39Å; F389-L394 HydrophobicContact CB-CB 4.1Å; F389-L394 HydrophobicContact CB-CD1 4.33Å; F389-L394 HydrophobicContact CD1-CD1 3.97Å; F389-L394 WeakPolarHBondContact O-CB 3.21Å; F389-L394 PolarHBondContact O-N 3.49Å; F389-L394 VanDerWaalsContact O-N 3.08Å; H392-L394 HydrophobicContact CB-CG 4.42Å; H392-L394 PolarHBondContact O-N 3.28Å; L394-S396 PolarHBondContact O-N 2.97Å | ||
| 395 | P | 95.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 17.1 Ų | 17.1 | 40% | 0.403 | 9% | 0.09 | S | C | . | . | trans | -60.9 | 119.4 | 174.8 | -21.3 | 33.1 | 0 | 0 | 0 | 110.1 | Q300 V301 | Q300-P395 CarbonylContact C-O 3.6Å; Q300-P395 WeakPolarHBondContact CA-O 3.31Å; Q300-P395 PolarHBondContact NE2-O 3.47Å; V301-P395 PolarHBondContact N-O 3.28Å | ||
| 396 | S | 97.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.035 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 150.8 | -171.4 | 66.5 | 0 | 0 | 0 | 0 | 113 | Q300 V301 H386 S390 L394 | Q300-S396 VanDerWaalsContact NE2-CA 3.32Å; V301-S396 CarbonylContact O-C 3.47Å; V301-S396 VanDerWaalsContact O-CA 3.28Å; V301-S396 WeakPolarHBondContact O-CA 3.18Å; H386-S396 PolarHBondContact O-OG 2.89Å; S390-S396 PolarHBondContact N-OG 2.94Å; S390-S396 PolarHBondContact OG-OG 2.77Å; L394-S396 PolarHBondContact O-N 2.97Å |
| 397 | V | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 144.2 | 177.3 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | V301 I302 C303 A318 H319 V320 L330 L399 | V301-V397 PolarHBondContact O-N 3.2Å; I302-V397 HydrophobicContact CB-CG1 4.48Å; I302-V397 HydrophobicContact CG1-CG1 4.15Å; I302-V397 HydrophobicContact CG2-CG1 4.44Å; C303-V397 PolarHBondContact N-O 2.7Å; A318-V397 HydrophobicContact CB-CG2 3.92Å; H319-V397 WeakPolarHBondContact O-CA 3.19Å; H319-V397 WeakPolarHBondContact O-CG2 3.1Å; V320-V397 HydrophobicContact CG1-CB 4.06Å; V320-V397 HydrophobicContact CG1-CG2 3.69Å; L330-V397 HydrophobicContact CD1-CB 3.94Å; L330-V397 HydrophobicContact CD1-CG1 3.84Å; L330-V397 HydrophobicContact CD1-CG2 4.38Å; V397-L399 HydrophobicContact CG2-CD2 4.18Å |
| 398 | T | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125 | 164.9 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | C303 E305 H319 W384 H386 | C303-T398 HydrophobicContact CB-CG2 4.21Å; C303-T398 CarbonylContact O-C 3.51Å; C303-T398 VanDerWaalsContact O-CA 3.31Å; C303-T398 WeakPolarHBondContact O-CA 3.4Å; E305-T398 HydrophobicContact CB-CG2 3.93Å; H319-T398 PolarHBondContact CD2-O 3.22Å; H319-T398 PolarHBondContact N-O 2.67Å; H319-T398 PolarHBondContact O-N 3.09Å; W384-T398 HydrophobicContact CD2-CG2 4.5Å; W384-T398 HydrophobicContact CE3-CG2 3.67Å; W384-T398 HydrophobicContact CZ3-CG2 4.2Å; H386-T398 WeakPolarHBondContact CB-OG1 3.26Å; H386-T398 PolarHBondContact N-OG1 3.3Å; H386-T398 PolarHBondContact ND1-OG1 2.57Å |
| 399 | L | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.4 | 171.7 | -60.4 | -179.3 | 0 | 0 | 0 | 109.4 | I302 C303 L304 E305 L307 M316 Y317 A318 F333 L337 V397 I457 | I302-L399 HydrophobicContact CG2-CD1 3.94Å; I302-L399 HydrophobicContact CG2-CG 4.28Å; C303-L399 PolarHBondContact O-N 2.85Å; L304-L399 HydrophobicContact CD2-CB 4.41Å; L304-L399 HydrophobicContact CD2-CD1 4.27Å; E305-L399 PolarHBondContact N-O 3.24Å; L307-L399 HydrophobicContact CD1-CB 4.41Å; M316-L399 HydrophobicContact CE-CD1 4.39Å; M316-L399 HydrophobicContact SD-CB 4.3Å; Y317-L399 WeakPolarHBondContact O-CA 3.35Å; A318-L399 HydrophobicContact CB-CD2 3.88Å; F333-L399 HydrophobicContact CE1-CD1 4.3Å; F333-L399 HydrophobicContact CZ-CD1 4.31Å; L337-L399 HydrophobicContact CD1-CD1 4.25Å; L337-L399 HydrophobicContact CD1-CD2 4.11Å; V397-L399 HydrophobicContact CG2-CD2 4.18Å; L399-I457 HydrophobicContact CD1-CD1 4.13Å; L399-I457 HydrophobicContact CD1-CG1 3.98Å |
| 400 | S | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 165.4 | 176.2 | 88.6 | 0 | 0 | 0 | 0 | 113.1 | E305 Y317 H319 W402 | E305-S400 WeakPolarHBondContact O-CA 3.34Å; E305-S400 WeakPolarHBondContact O-CB 3.02Å; Y317-S400 PolarHBondContact N-O 2.8Å; Y317-S400 PolarHBondContact O-N 3.08Å; H319-S400 PolarHBondContact NE2-OG 2.79Å; S400-W402 VanDerWaalsContact C-N 3.34Å; S400-W402 PolarHBondContact OG-N 3.29Å; S400-W402 PolarHBondContact OG-O 3.2Å |
| 401 | N | 94.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -88 | 0.7 | 165.5 | -78.6 | 101.5 | 0 | 0 | 0 | 113 | G306 L307 F312 N315 Y317 P403 N453 | G306-N401 WeakPolarHBondContact O-CB 3.26Å; G306-N401 PolarHBondContact O-N 3.14Å; L307-N401 WeakPolarHBondContact CA-OD1 3.35Å; L307-N401 PolarHBondContact O-OD1 3.07Å; F312-N401 WeakPolarHBondContact CB-O 3.47Å; F312-N401 HydrophobicContact CD2-CB 4.43Å; N315-N401 PolarHBondContact O-ND2 2.96Å; N315-N401 VanDerWaalsContact O-ND2 3.1Å; Y317-N401 WeakPolarHBondContact CE2-O 3.5Å; N401-P403 WeakPolarHBondContact O-CD 3.49Å; N401-N453 PolarHBondContact OD1-ND2 3.29Å |
| 402 | W | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -91.9 | 120.3 | -177.1 | -55.6 | -35.8 | 0 | 0 | 0 | 111.9 | A233 E305 F312 H319 W384 S400 S404 I407 A408 W411 R412 | A233-W402 HydrophobicContact CB-CH2 3.62Å; A233-W402 HydrophobicContact CB-CZ2 3.86Å; E305-W402 HydrophobicContact CG-CH2 3.99Å; E305-W402 HydrophobicContact CG-CZ3 3.63Å; E305-W402 WeakPolarHBondContact OE1-CZ3 3.18Å; F312-W402 AromaticContact CD2-CD1 3.55Å; F312-W402 AromaticContact CD2-NE1 3.87Å; F312-W402 AromaticContact CE2-CD1 3.37Å; F312-W402 AromaticContact CE2-NE1 3.3Å; F312-W402 VanDerWaalsContact CE2-NE1 3.3Å; F312-W402 AromaticContact CG-CD1 4Å; F312-W402 AromaticContact CZ-CD1 3.68Å; F312-W402 AromaticContact CZ-NE1 3.72Å; H319-W402 PolarHBondContact CE1-O 3.14Å; H319-W402 PolarHBondContact NE2-O 2.95Å; W384-W402 HydrophobicContact CH2-CB 4.4Å; W384-W402 HydrophobicContact CH2-CE3 4.04Å; W384-W402 HydrophobicContact CZ3-CE3 4.02Å; W384-W402 HydrophobicContact CZ3-CZ3 4.48Å; S400-W402 VanDerWaalsContact C-N 3.34Å; S400-W402 PolarHBondContact OG-N 3.29Å; S400-W402 PolarHBondContact OG-O 3.2Å; W402-S404 PolarHBondContact O-N 3.15Å; W402-I407 HydrophobicContact CB-CG2 4.23Å; W402-I407 HydrophobicContact CG-CG2 4.29Å; W402-A408 HydrophobicContact CB-CB 4.28Å; W402-A408 HydrophobicContact CD2-CB 4Å; W402-A408 HydrophobicContact CE3-CB 3.32Å; W402-A408 HydrophobicContact CG-CB 4.41Å; W402-A408 HydrophobicContact CZ3-CB 3.92Å; W402-W411 HydrophobicContact CZ2-CB 4.38Å; W402-R412 HydrophobicContact CH2-CG 3.86Å; W402-R412 HydrophobicContact CZ3-CG 3.81Å | ||
| 403 | P | 92.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 37 Ų | 37 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -70.9 | -13.4 | -176.9 | 18.1 | -23.7 | 0 | 0 | 0 | 114.2 | Y317 I371 N401 I407 | Y317-P403 HydrophobicContact CD1-CB 4.42Å; Y317-P403 HydrophobicContact CD2-CB 4.42Å; Y317-P403 HydrophobicContact CE1-CB 3.81Å; Y317-P403 HydrophobicContact CE2-CB 3.84Å; Y317-P403 HydrophobicContact CE2-CG 4.26Å; I371-P403 WeakPolarHBondContact CD1-O 3.38Å; N401-P403 WeakPolarHBondContact O-CD 3.49Å; P403-I407 HydrophobicContact CG-CD1 3.65Å |
| 404 | S | 92.9 | Very high | 92.7 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 22% | 0.217 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -152.5 | 159.2 | -177.5 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | W402 Q406 I407 A408 | W402-S404 PolarHBondContact O-N 3.15Å; S404-Q406 VanDerWaalsContact C-N 3.25Å; S404-Q406 PolarHBondContact O-N 3.09Å; S404-Q406 PolarHBondContact OG-OE1 3.46Å; S404-I407 PolarHBondContact O-N 2.8Å; S404-I407 PolarHBondContact OG-N 2.59Å; S404-A408 PolarHBondContact O-N 3.17Å |
| 405 | I | 91.2 | Very high | 92.4 | Very high | 32 Ų | 32 | 30.8 Ų | 30.8 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -30.6 | 174.4 | -177.4 | 54.2 | 0 | 0 | 0 | 112.3 | A383 A408 N409 | A383-I405 HydrophobicContact CB-CD1 3.56Å; A383-I405 HydrophobicContact CB-CG1 3.78Å; A383-I405 VanDerWaalsContact O-CD1 3.24Å; A383-I405 WeakPolarHBondContact O-CD1 3.2Å; I405-A408 HydrophobicContact CD1-CB 4.37Å; I405-A408 PolarHBondContact O-N 2.82Å; I405-N409 WeakPolarHBondContact CD1-OD1 3.45Å; I405-N409 WeakPolarHBondContact O-CB 3.21Å; I405-N409 VanDerWaalsContact O-CG 3.27Å; I405-N409 PolarHBondContact O-N 3.24Å |
| 406 | Q | 90.4 | Very high | 92.1 | Very high | 126 Ų | 126 | 28.2 Ų | 28.2 | 59% | 0.589 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -64.2 | -45.2 | 178 | -67.9 | 77.4 | 8.5 | 0 | 0 | 110.9 | S404 N409 Q410 | S404-Q406 VanDerWaalsContact C-N 3.25Å; S404-Q406 PolarHBondContact O-N 3.09Å; S404-Q406 PolarHBondContact OG-OE1 3.46Å; Q406-N409 PolarHBondContact O-N 3.38Å; Q406-Q410 WeakPolarHBondContact O-CG 3.32Å; Q406-Q410 PolarHBondContact O-N 2.82Å; Q406-Q410 VanDerWaalsContact O-N 3.15Å |
| 407 | I | 90.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 28.4 Ų | 28.4 | 22% | 0.221 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.9 | -45.6 | 176 | -69.5 | 164.4 | 0 | 0 | 0 | 110 | F312 W402 P403 S404 N409 Q410 W411 | F312-I407 HydrophobicContact CD1-CG2 3.87Å; F312-I407 HydrophobicContact CE1-CG2 3.47Å; F312-I407 VanDerWaalsContact CE1-CG2 3.47Å; F312-I407 HydrophobicContact CZ-CG2 4.2Å; W402-I407 HydrophobicContact CB-CG2 4.23Å; W402-I407 HydrophobicContact CG-CG2 4.29Å; P403-I407 HydrophobicContact CG-CD1 3.65Å; S404-I407 PolarHBondContact O-N 2.8Å; S404-I407 PolarHBondContact OG-N 2.59Å; I407-N409 VanDerWaalsContact C-N 3.3Å; I407-N409 PolarHBondContact O-N 3.04Å; I407-Q410 WeakPolarHBondContact O-CB 3.42Å; I407-Q410 PolarHBondContact O-N 3.02Å; I407-W411 VanDerWaalsContact O-CD1 3.31Å; I407-W411 PolarHBondContact O-N 3Å; I407-W411 VanDerWaalsContact O-N 3.08Å |
| 408 | A | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.4 | -47.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W384 W402 S404 I405 Q410 W411 R412 | W384-A408 HydrophobicContact CH2-CB 3.68Å; W384-A408 HydrophobicContact CZ2-CB 4.16Å; W384-A408 HydrophobicContact CZ3-CB 4.26Å; W402-A408 HydrophobicContact CB-CB 4.28Å; W402-A408 HydrophobicContact CD2-CB 4Å; W402-A408 HydrophobicContact CE3-CB 3.32Å; W402-A408 HydrophobicContact CG-CB 4.41Å; W402-A408 HydrophobicContact CZ3-CB 3.92Å; S404-A408 PolarHBondContact O-N 3.17Å; I405-A408 HydrophobicContact CD1-CB 4.37Å; I405-A408 PolarHBondContact O-N 2.82Å; A408-Q410 VanDerWaalsContact C-N 3.3Å; A408-Q410 PolarHBondContact O-N 3.43Å; A408-W411 PolarHBondContact O-N 2.98Å; A408-R412 WeakPolarHBondContact O-CB 3.49Å; A408-R412 WeakPolarHBondContact O-CD 3.3Å; A408-R412 WeakPolarHBondContact O-CG 3.43Å; A408-R412 PolarHBondContact O-N 2.69Å |
| 409 | N | 89.7 | Confident | 89.7 | Confident | 84 Ų | 84 | 29.4 Ų | 29.4 | 45% | 0.449 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.6 | -29.3 | 178.4 | -72.6 | -12 | 0 | 0 | 0 | 113.8 | I405 Q406 I407 R412 | I405-N409 WeakPolarHBondContact CD1-OD1 3.45Å; I405-N409 WeakPolarHBondContact O-CB 3.21Å; I405-N409 VanDerWaalsContact O-CG 3.27Å; I405-N409 PolarHBondContact O-N 3.24Å; Q406-N409 PolarHBondContact O-N 3.38Å; I407-N409 VanDerWaalsContact C-N 3.3Å; I407-N409 PolarHBondContact O-N 3.04Å; N409-R412 PolarHBondContact OD1-NH1 3.15Å |
| 410 | Q | 87 | Confident | 88.3 | Confident | 99 Ų | 99 | 32 Ų | 32 | 46% | 0.463 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -69.3 | -42.7 | 174.3 | -74.2 | 172.6 | -27.5 | 0 | 0 | 112.1 | I123 Q406 I407 A408 | I123-Q410 HydrophobicContact CG2-CB 4.35Å; Q406-Q410 WeakPolarHBondContact O-CG 3.32Å; Q406-Q410 PolarHBondContact O-N 2.82Å; Q406-Q410 VanDerWaalsContact O-N 3.15Å; I407-Q410 WeakPolarHBondContact O-CB 3.42Å; I407-Q410 PolarHBondContact O-N 3.02Å; A408-Q410 VanDerWaalsContact C-N 3.3Å; A408-Q410 PolarHBondContact O-N 3.43Å |
| 411 | W | 88.1 | Confident | 86.9 | Confident | 39 Ų | 39 | 32.2 Ų | 32.2 | 15% | 0.148 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -91.9 | -20.4 | -174.1 | -69.2 | 94.4 | 0 | 0 | 0 | 113.9 | I123 F312 W402 I407 A408 Q413 T414 | I123-W411 HydrophobicContact CD1-CH2 4.34Å; I123-W411 HydrophobicContact CD1-CZ2 4.34Å; F312-W411 AromaticContact CE1-CD1 3.78Å; F312-W411 HydrophobicContact CE1-CG 4.47Å; F312-W411 AromaticContact CE1-NE1 3.53Å; F312-W411 AromaticContact CZ-CD1 3.55Å; F312-W411 AromaticContact CZ-CD2 3.94Å; F312-W411 HydrophobicContact CZ-CD2 3.94Å; F312-W411 AromaticContact CZ-CE2 3.77Å; F312-W411 AromaticContact CZ-CG 3.81Å; F312-W411 HydrophobicContact CZ-CG 3.81Å; F312-W411 HydrophobicContact CZ-CZ2 4.48Å; F312-W411 AromaticContact CZ-NE1 3.53Å; W402-W411 HydrophobicContact CZ2-CB 4.38Å; I407-W411 VanDerWaalsContact O-CD1 3.31Å; I407-W411 PolarHBondContact O-N 3Å; I407-W411 VanDerWaalsContact O-N 3.08Å; A408-W411 PolarHBondContact O-N 2.98Å; W411-Q413 PolarHBondContact O-N 3Å; W411-T414 HydrophobicContact CE3-CG2 3.9Å; W411-T414 HydrophobicContact CZ3-CG2 4.45Å |
| 412 | R | 90.1 | Very high | 85.3 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.2 | 179.3 | -87.4 | 169.6 | -176.7 | 155.3 | -3 | 114.8 | K272 E305 A383 W402 A408 N409 | K272-R412 VanDerWaalsContact CE-O 3.24Å; K272-R412 WeakPolarHBondContact CE-O 3.43Å; K272-R412 PolarHBondContact NZ-O 2.93Å; E305-R412 IonicContact OE1-CZ 3.92Å; E305-R412 IonicContact OE1-NE 3.74Å; E305-R412 PolarHBondContact OE1-NE 3.04Å; E305-R412 IonicContact OE1-NH2 2.84Å; E305-R412 PolarHBondContact OE1-NH2 2.92Å; E305-R412 IonicContact OE2-CZ 3.05Å; E305-R412 IonicContact OE2-NE 3.89Å; E305-R412 IonicContact OE2-NH2 2.72Å; E305-R412 PolarHBondContact OE2-NH2 3.09Å; A383-R412 VanDerWaalsContact O-CZ 3.29Å; A383-R412 PolarHBondContact O-NH1 2.79Å; A383-R412 PolarHBondContact O-NH2 3.03Å; W402-R412 HydrophobicContact CH2-CG 3.86Å; W402-R412 HydrophobicContact CZ3-CG 3.81Å; A408-R412 WeakPolarHBondContact O-CB 3.49Å; A408-R412 WeakPolarHBondContact O-CD 3.3Å; A408-R412 WeakPolarHBondContact O-CG 3.43Å; A408-R412 PolarHBondContact O-N 2.69Å; N409-R412 PolarHBondContact OD1-NH1 3.15Å |
| 413 | Q | 85.8 | Confident | 83.2 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 27% | 0.271 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 13.1 | -166.9 | -54 | -173.5 | -33.9 | 0 | 0 | 112.2 | L130 I221 S222 W411 | L130-Q413 HydrophobicContact CD1-CB 3.78Å; I221-Q413 HydrophobicContact CG2-CB 3.88Å; I221-Q413 HydrophobicContact CG2-CG 3.63Å; I221-Q413 CarbonylContact O-C 3.55Å; I221-Q413 VanDerWaalsContact O-C 3.3Å; I221-Q413 VanDerWaalsContact O-CA 3.29Å; I221-Q413 WeakPolarHBondContact O-CA 3.4Å; S222-Q413 VanDerWaalsContact CA-O 3.3Å; S222-Q413 WeakPolarHBondContact CA-O 3.32Å; W411-Q413 PolarHBondContact O-N 3Å |
| 414 | T | 88.5 | Confident | 80.9 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | -93.6 | 135 | -173 | -171.2 | 0 | 0 | 0 | 0 | 113.3 | E126 W411 L416 D417 | E126-T414 WeakPolarHBondContact OE2-CA 3.48Å; E126-T414 WeakPolarHBondContact OE2-CB 3.3Å; E126-T414 PolarHBondContact OE2-OG1 2.78Å; W411-T414 HydrophobicContact CE3-CG2 3.9Å; W411-T414 HydrophobicContact CZ3-CG2 4.45Å; T414-L416 HydrophobicContact CG2-CB 4.02Å; T414-L416 PolarHBondContact O-N 3.11Å; T414-L416 PolarHBondContact OG1-N 2.85Å; T414-D417 HydrophobicContact CG2-CB 4Å; T414-D417 WeakPolarHBondContact O-CB 3.41Å; T414-D417 PolarHBondContact O-N 2.8Å; T414-D417 VanDerWaalsContact O-N 3.09Å | ||
| 415 | T | 89.8 | Confident | 78.3 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.9 | 169.9 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | E126 S222 I224 L227 D417 I419 | E126-T415 VanDerWaalsContact CD-N 3.3Å; E126-T415 VanDerWaalsContact OE1-CB 3.29Å; E126-T415 WeakPolarHBondContact OE1-CB 3.33Å; E126-T415 PolarHBondContact OE1-N 3.05Å; E126-T415 PolarHBondContact OE1-OG1 3.43Å; E126-T415 PolarHBondContact OE2-N 2.96Å; S222-T415 VanDerWaalsContact CB-OG1 3.28Å; S222-T415 WeakPolarHBondContact CB-OG1 3.15Å; S222-T415 PolarHBondContact OG-OG1 2.78Å; I224-T415 HydrophobicContact CD1-CG2 4.31Å; L227-T415 HydrophobicContact CB-CG2 3.59Å; L227-T415 HydrophobicContact CD1-CG2 4.17Å; T415-D417 PolarHBondContact O-N 3.22Å; T415-I419 HydrophobicContact CG2-CD1 3.59Å; T415-I419 HydrophobicContact CG2-CG1 4.37Å |
| 416 | L | 88.2 | Confident | 75.6 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.2 | 175.9 | -59.9 | -176.9 | 0 | 0 | 0 | 112.9 | W114 I119 F122 I123 T414 G418 I419 V421 | W114-L416 HydrophobicContact CE3-CD2 4.27Å; W114-L416 HydrophobicContact CH2-CD2 4.23Å; W114-L416 HydrophobicContact CZ3-CD2 3.68Å; I119-L416 HydrophobicContact CB-CD1 4.46Å; I119-L416 HydrophobicContact CG2-CD1 3.72Å; F122-L416 HydrophobicContact CD1-CD1 4.01Å; F122-L416 HydrophobicContact CD1-CD2 3.95Å; F122-L416 HydrophobicContact CD1-CG 3.75Å; F122-L416 HydrophobicContact CE1-CD2 4.11Å; F122-L416 HydrophobicContact CE1-CG 3.97Å; I123-L416 HydrophobicContact CD1-CD1 4.19Å; I123-L416 HydrophobicContact CG1-CD1 3.95Å; T414-L416 HydrophobicContact CG2-CB 4.02Å; T414-L416 PolarHBondContact O-N 3.11Å; T414-L416 PolarHBondContact OG1-N 2.85Å; L416-G418 PolarHBondContact O-N 3.48Å; L416-I419 PolarHBondContact O-N 2.93Å; L416-V421 HydrophobicContact CD2-CB 4.44Å; L416-V421 HydrophobicContact CD2-CG2 3.57Å |
| 417 | D | 85.5 | Confident | 73 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 62.2 | 179 | -170.6 | 26.2 | 0 | 0 | 0 | 111.9 | G230 A231 D232 A233 T414 T415 | G230-D417 CarbonylContact C-O 3.6Å; G230-D417 WeakPolarHBondContact CA-O 3.4Å; G230-D417 WeakPolarHBondContact CA-OD2 3.35Å; G230-D417 PolarHBondContact N-O 3.3Å; A231-D417 PolarHBondContact N-O 2.85Å; A231-D417 PolarHBondContact N-OD1 3.26Å; A231-D417 PolarHBondContact N-OD2 3.19Å; D232-D417 WeakPolarHBondContact CB-OD1 3.39Å; D232-D417 PolarHBondContact N-OD1 3.09Å; D232-D417 PolarHBondContact N-OD2 3.5Å; A233-D417 WeakPolarHBondContact CA-OD2 3.45Å; A233-D417 VanDerWaalsContact CB-OD2 3.27Å; A233-D417 WeakPolarHBondContact CB-OD2 3.27Å; A233-D417 PolarHBondContact N-OD2 2.9Å; T414-D417 HydrophobicContact CG2-CB 4Å; T414-D417 WeakPolarHBondContact O-CB 3.41Å; T414-D417 PolarHBondContact O-N 2.8Å; T414-D417 VanDerWaalsContact O-N 3.09Å; T415-D417 PolarHBondContact O-N 3.22Å |
| 418 | G | 80.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 152.7 | -19.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L416 H441 | L416-G418 PolarHBondContact O-N 3.48Å; G418-H441 WeakPolarHBondContact CA-O 3.29Å; G418-H441 CarbonylContact O-C 3.53Å; G418-H441 WeakPolarHBondContact O-CA 3.22Å; G418-H441 VanDerWaalsContact O-CB 3.28Å; G418-H441 WeakPolarHBondContact O-CB 3.41Å; G418-H441 PolarHBondContact O-ND1 3.46Å; G418-H441 VanDerWaalsContact O-ND1 3.15Å |
| 419 | I | 78.8 | Confident | 67.8 | Low | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -103.5 | 114.7 | 172.8 | -57.3 | -174.8 | 0 | 0 | 0 | 108.1 | L227 T415 L416 V421 | L227-I419 HydrophobicContact CB-CD1 4.22Å; L227-I419 HydrophobicContact CD1-CD1 3.95Å; L227-I419 HydrophobicContact CD2-CD1 4.48Å; L227-I419 HydrophobicContact CG-CD1 4.45Å; T415-I419 HydrophobicContact CG2-CD1 3.59Å; T415-I419 HydrophobicContact CG2-CG1 4.37Å; L416-I419 PolarHBondContact O-N 2.93Å; I419-V421 HydrophobicContact CB-CG2 4.44Å; I419-V421 HydrophobicContact CG2-CG2 3.85Å; I419-V421 PolarHBondContact O-N 3.19Å; I419-V421 VanDerWaalsContact O-N 3.13Å |
| 420 | N | 69.4 | Low | 65.2 | Low | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.283 | 32% | 0.317 | S | S | . | . | trans | -70.5 | 112 | 169.4 | -173.7 | 2.4 | 0 | 0 | 0 | 109.1 | R112 M422 | R112-N420 WeakPolarHBondContact CD-O 3.31Å; R112-N420 PolarHBondContact NE-O 2.86Å; N420-M422 PolarHBondContact OD1-N 2.91Å; N420-M422 VanDerWaalsContact OD1-N 3.13Å; N420-M422 PolarHBondContact OD1-O 3.03Å | ||
| 421 | V | 66.3 | Low | 62.7 | Low | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | trans | -100.8 | -17.6 | -178.4 | 165.6 | 0 | 0 | 0 | 0 | 112.5 | P113 W114 I119 L416 I419 | P113-V421 WeakPolarHBondContact CA-O 3.21Å; W114-V421 HydrophobicContact CB-CG1 3.23Å; W114-V421 HydrophobicContact CD2-CB 4.33Å; W114-V421 HydrophobicContact CD2-CG1 3.23Å; W114-V421 HydrophobicContact CD2-CG2 4.11Å; W114-V421 HydrophobicContact CE3-CG1 3.58Å; W114-V421 HydrophobicContact CE3-CG2 4.16Å; W114-V421 HydrophobicContact CG-CB 4.46Å; W114-V421 HydrophobicContact CG-CG1 3.11Å; W114-V421 HydrophobicContact CH2-CG2 4.4Å; W114-V421 HydrophobicContact CZ2-CG2 4.35Å; W114-V421 HydrophobicContact CZ3-CG1 4.49Å; W114-V421 HydrophobicContact CZ3-CG2 4.32Å; W114-V421 PolarHBondContact N-O 2.88Å; W114-V421 VanDerWaalsContact N-O 3.17Å; I119-V421 HydrophobicContact CD1-CG1 4.26Å; I119-V421 HydrophobicContact CG1-CG1 4.17Å; L416-V421 HydrophobicContact CD2-CB 4.44Å; L416-V421 HydrophobicContact CD2-CG2 3.57Å; I419-V421 HydrophobicContact CB-CG2 4.44Å; I419-V421 HydrophobicContact CG2-CG2 3.85Å; I419-V421 PolarHBondContact O-N 3.19Å; I419-V421 VanDerWaalsContact O-N 3.13Å | ||
| 422 | M | 59.8 | Low | 60.1 | Low | 88 Ų | 88 | 63.8 Ų | 63.8 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -88.1 | 129.2 | 178.9 | -61 | -61.6 | -115.4 | 0 | 0 | 109.5 | I119 N420 K424 | I119-M422 HydrophobicContact CD1-CE 4.37Å; I119-M422 HydrophobicContact CD1-SD 3.78Å; N420-M422 PolarHBondContact OD1-N 2.91Å; N420-M422 VanDerWaalsContact OD1-N 3.13Å; N420-M422 PolarHBondContact OD1-O 3.03Å; M422-K424 PolarHBondContact O-N 2.8Å; M422-K424 VanDerWaalsContact O-N 3.16Å |
| 423 | N | 51.1 | Low | 57.3 | Low | 86 Ų | 86 | 67.5 Ų | 67.5 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | trans | -72.4 | 106.2 | 172.4 | -175.7 | 22.3 | 0 | 0 | 0 | 108.1 | P113 N425 | P113-N423 HydrophobicContact CB-CB 3.57Å; P113-N423 HydrophobicContact CG-CB 3.76Å; N423-N425 VanDerWaalsContact C-N 3.31Å; N423-N425 PolarHBondContact ND2-OD1 2.88Å; N423-N425 PolarHBondContact O-N 2.79Å; N423-N425 PolarHBondContact OD1-OD1 3.38Å | ||
| 424 | K | 44.2 | Very low | 54.9 | Low | 118 Ų | 118 | 75.3 Ų | 75.3 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | trans | -72.7 | 93.4 | 163.3 | -82.3 | -173 | 177.6 | 175.3 | 0 | 106.9 | M422 N426 D429 | M422-K424 PolarHBondContact O-N 2.8Å; M422-K424 VanDerWaalsContact O-N 3.16Å; K424-N426 PolarHBondContact O-N 3.29Å; K424-N426 VanDerWaalsContact O-N 3.09Å; K424-D429 HydrophobicContact CD-CB 4.17Å; K424-D429 IonicContact NZ-OD2 2.69Å; K424-D429 PolarHBondContact NZ-OD2 2.91Å | ||
| 425 | N | 37.2 | Very low | 52.4 | Low | 130 Ų | 130 | 79 Ų | 79 | 70% | 0.695 | 42% | 0.417 | S | S | * | . | trans | -73.3 | 27.4 | 160.4 | -86.8 | -3.9 | 0 | 0 | 0 | 111.9 | N423 | N423-N425 VanDerWaalsContact C-N 3.31Å; N423-N425 PolarHBondContact ND2-OD1 2.88Å; N423-N425 PolarHBondContact O-N 2.79Å; N423-N425 PolarHBondContact OD1-OD1 3.38Å | ||
| 426 | N | 34.8 | Very low | 49.8 | Very low | 109 Ų | 109 | 84.2 Ų | 84.2 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | trans | -117.6 | 110.4 | 175.1 | -70.3 | -0.5 | 0 | 0 | 0 | 107.2 | K424 D428 | K424-N426 PolarHBondContact O-N 3.29Å; K424-N426 VanDerWaalsContact O-N 3.09Å; N426-D428 PolarHBondContact O-N 3.45Å | ||
| 427 | D | 35.5 | Very low | 47.4 | Very low | 141 Ų | 141 | 93.6 Ų | 93.6 | 75% | 0.754 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -59.2 | 1.9 | 175.5 | -70.5 | -46.7 | 0 | 0 | 0 | 114.1 | V430 | D427-V430 WeakPolarHBondContact O-CG2 3.26Š|
| 428 | D | 36.6 | Very low | 45.6 | Very low | 152 Ų | 152 | 97.8 Ų | 97.8 | 81% | 0.813 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -96.7 | 0.7 | -171.8 | -64.9 | -30.1 | 0 | 0 | 0 | 115.3 | N426 | N426-D428 PolarHBondContact O-N 3.45Š|
| 429 | D | 37.4 | Very low | 44.6 | Very low | 88 Ų | 88 | 103.8 Ų | 103.8 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -126.9 | 26.6 | 170.2 | -132.5 | -3.5 | 0 | 0 | 0 | 112.1 | K424 L431 | K424-D429 HydrophobicContact CD-CB 4.17Å; K424-D429 IonicContact NZ-OD2 2.69Å; K424-D429 PolarHBondContact NZ-OD2 2.91Å; D429-L431 PolarHBondContact O-N 2.95Å |
| 430 | V | 35.6 | Very low | 44 | Very low | 71 Ų | 71 | 105.6 Ų | 105.6 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | trans | -71.8 | 71.5 | 168.7 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | D427 A432 Y434 | D427-V430 WeakPolarHBondContact O-CG2 3.26Å; V430-A432 HydrophobicContact CG1-CB 3.74Å; V430-Y434 HydrophobicContact CG1-CD2 4.47Å; V430-Y434 HydrophobicContact CG1-CE2 4.34Å | ||
| 431 | L | 33.7 | Very low | 44.6 | Very low | 115 Ų | 115 | 104.4 Ų | 104.4 | 60% | 0.602 | 55% | 0.547 | S | S | * | . | trans | -86 | 35 | 138.5 | -67.2 | 178.4 | 0 | 0 | 0 | 109.5 | D429 D433 I440 | D429-L431 PolarHBondContact O-N 2.95Å; L431-D433 PolarHBondContact O-N 3.27Å; L431-I440 WeakPolarHBondContact O-CD1 3.38Å | ||
| 432 | A | 34.4 | Very low | 45.4 | Very low | 62 Ų | 62 | 106.1 Ų | 106.1 | 51% | 0.512 | 55% | 0.552 | S | S | . | * | trans | -68.3 | 85.8 | 143 | 0 | 0 | 0 | 0 | 0 | 104.4 | V430 Y434 | V430-A432 HydrophobicContact CG1-CB 3.74Å; A432-Y434 PolarHBondContact O-N 2.88Å | ||
| 433 | D | 31.6 | Very low | 46.5 | Very low | 95 Ų | 95 | 102.5 Ų | 102.5 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | trans | -55.9 | 96.8 | 168.7 | -162.5 | -7.5 | 0 | 0 | 0 | 105.7 | L431 S435 N436 | L431-D433 PolarHBondContact O-N 3.27Å; D433-S435 PolarHBondContact O-N 2.88Å; D433-S435 WeakPolarHBondContact OD1-CB 3.25Å; D433-S435 PolarHBondContact OD1-N 3.48Å; D433-S435 PolarHBondContact OD1-OG 2.91Å; D433-S435 PolarHBondContact OD2-OG 2.95Å; D433-N436 PolarHBondContact O-N 2.72Å; D433-N436 VanDerWaalsContact O-N 3.08Å | ||
| 434 | Y | 34.4 | Very low | 48.1 | Very low | 223 Ų | 223 | 100.6 Ų | 100.6 | 88% | 0.875 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -5.6 | 178.7 | -99.8 | -90.3 | 0 | 0 | 0 | 111.3 | V430 A432 | V430-Y434 HydrophobicContact CG1-CD2 4.47Å; V430-Y434 HydrophobicContact CG1-CE2 4.34Å; A432-Y434 PolarHBondContact O-N 2.88Å |
| 435 | S | 36.8 | Very low | 50.3 | Low | 83 Ų | 83 | 95.6 Ų | 95.6 | 58% | 0.58 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -13.6 | 176.9 | 76.7 | 0 | 0 | 0 | 0 | 115.3 | D433 | D433-S435 PolarHBondContact O-N 2.88Å; D433-S435 WeakPolarHBondContact OD1-CB 3.25Å; D433-S435 PolarHBondContact OD1-N 3.48Å; D433-S435 PolarHBondContact OD1-OG 2.91Å; D433-S435 PolarHBondContact OD2-OG 2.95Å |
| 436 | N | 35.3 | Very low | 52.9 | Low | 111 Ų | 111 | 90.4 Ų | 90.4 | 59% | 0.594 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -148.8 | 127.6 | 172.5 | -81.6 | -45.7 | 0 | 0 | 0 | 111.6 | D433 T438 | D433-N436 PolarHBondContact O-N 2.72Å; D433-N436 VanDerWaalsContact O-N 3.08Å; N436-T438 HydrophobicContact CB-CG2 4.44Å; N436-T438 PolarHBondContact O-N 3.09Å |
| 437 | H | 37.5 | Very low | 55.6 | Low | 204 Ų | 204 | 85.9 Ų | 85.9 | 94% | 0.944 | 46% | 0.456 | S | S | * | . | trans | -63.7 | 35.2 | 176.8 | -90.9 | -26.4 | 0 | 0 | 0 | 115.2 | I439 | H437-I439 PolarHBondContact O-N 3Š| ||
| 438 | T | 48.2 | Very low | 58.3 | Low | 98 Ų | 98 | 81.3 Ų | 81.3 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | trans | -77.3 | 103.6 | 175.6 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | N436 I440 | N436-T438 HydrophobicContact CB-CG2 4.44Å; N436-T438 PolarHBondContact O-N 3.09Å; T438-I440 PolarHBondContact O-N 3.36Å | ||
| 439 | I | 57.4 | Low | 61 | Low | 125 Ų | 125 | 74 Ų | 74 | 64% | 0.641 | 39% | 0.394 | S | S | * | . | trans | -64.1 | 116 | 171.4 | -60.7 | 171.9 | 0 | 0 | 0 | 107.8 | H437 H441 | H437-I439 PolarHBondContact O-N 3Å; I439-H441 PolarHBondContact O-CD2 2.89Å | ||
| 440 | I | 67.9 | Low | 63.7 | Low | 59 Ų | 59 | 69.9 Ų | 69.9 | 30% | 0.303 | 37% | 0.372 | S | S | . | . | trans | -87.2 | 121.8 | -179.2 | -64.2 | 174.4 | 0 | 0 | 0 | 109.6 | L431 T438 R442 D497 | L431-I440 WeakPolarHBondContact O-CD1 3.38Å; T438-I440 PolarHBondContact O-N 3.36Å; I440-R442 HydrophobicContact CG2-CB 4.17Å; I440-R442 HydrophobicContact CG2-CG 3.43Å; I440-R442 VanDerWaalsContact CG2-CG 3.43Å; I440-R442 PolarHBondContact O-N 2.86Å; I440-D497 WeakPolarHBondContact CG2-OD1 3.41Å | ||
| 441 | H | 81.1 | Confident | 66.6 | Low | 28 Ų | 28 | 66.6 Ų | 66.6 | 13% | 0.13 | 35% | 0.352 | C | S | . | . | trans | -101.1 | 52 | -174.7 | -68.2 | -74.8 | 0 | 0 | 0 | 112.9 | Y229 G418 I439 T500 | Y229-H441 HydrophobicContact CD1-CB 3.78Å; Y229-H441 AromaticContact CD1-CG 3.81Å; Y229-H441 HydrophobicContact CD2-CB 4.14Å; Y229-H441 AromaticContact CD2-CG 3.98Å; Y229-H441 AromaticContact CD2-ND1 3.8Å; Y229-H441 HydrophobicContact CE1-CB 4.13Å; Y229-H441 AromaticContact CE1-CD2 3.44Å; Y229-H441 VanDerWaalsContact CE1-CD2 3.44Å; Y229-H441 WeakPolarHBondContact CE1-CD2 3.44Å; Y229-H441 AromaticContact CE1-CG 3.63Å; Y229-H441 AromaticContact CE1-NE2 3.79Å; Y229-H441 HydrophobicContact CE2-CB 4.49Å; Y229-H441 AromaticContact CE2-CE1 3.6Å; Y229-H441 AromaticContact CE2-CG 3.84Å; Y229-H441 AromaticContact CE2-ND1 3.44Å; Y229-H441 WeakPolarHBondContact CE2-ND1 3.22Å; Y229-H441 HydrophobicContact CG-CB 3.77Å; Y229-H441 AromaticContact CG-CG 3.97Å; Y229-H441 AromaticContact CZ-CD2 3.57Å; Y229-H441 AromaticContact CZ-CE1 3.42Å; Y229-H441 VanDerWaalsContact CZ-CE1 3.42Å; Y229-H441 AromaticContact CZ-CG 3.65Å; Y229-H441 AromaticContact CZ-ND1 3.57Å; Y229-H441 AromaticContact CZ-NE2 3.43Å; Y229-H441 PolarHBondContact OH-CE1 2.93Å; Y229-H441 VanDerWaalsContact OH-CE1 3.3Å; Y229-H441 PolarHBondContact OH-NE2 2.89Å; G418-H441 WeakPolarHBondContact CA-O 3.29Å; G418-H441 CarbonylContact O-C 3.53Å; G418-H441 WeakPolarHBondContact O-CA 3.22Å; G418-H441 VanDerWaalsContact O-CB 3.28Å; G418-H441 WeakPolarHBondContact O-CB 3.41Å; G418-H441 PolarHBondContact O-ND1 3.46Å; G418-H441 VanDerWaalsContact O-ND1 3.15Å; I439-H441 PolarHBondContact O-CD2 2.89Å; H441-T500 WeakPolarHBondContact O-CB 3.1Å; H441-T500 WeakPolarHBondContact O-CG2 3.46Å | ||
| 442 | R | 83.6 | Confident | 69.5 | Low | 42 Ų | 42 | 61.2 Ų | 61.2 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | trans | -82.4 | -12.4 | -178.2 | -72.4 | 176.7 | -173.8 | -179 | 4.9 | 114.8 | A231 I440 N444 V445 G493 L496 D497 | A231-R442 VanDerWaalsContact CB-O 3.23Å; A231-R442 WeakPolarHBondContact CB-O 3.39Å; I440-R442 HydrophobicContact CG2-CB 4.17Å; I440-R442 HydrophobicContact CG2-CG 3.43Å; I440-R442 VanDerWaalsContact CG2-CG 3.43Å; I440-R442 PolarHBondContact O-N 2.86Å; R442-N444 PolarHBondContact O-N 3.14Å; R442-V445 WeakPolarHBondContact O-CB 3.42Å; R442-V445 PolarHBondContact O-N 2.89Å; R442-G493 PolarHBondContact NH2-O 2.88Å; R442-L496 HydrophobicContact CB-CD2 4.24Å; R442-L496 HydrophobicContact CG-CD2 3.63Å; R442-L496 HydrophobicContact CG-CG 4.05Å; R442-D497 IonicContact CZ-OD1 3.34Å; R442-D497 VanDerWaalsContact CZ-OD1 3.29Å; R442-D497 IonicContact CZ-OD2 3.93Å; R442-D497 IonicContact NE-OD1 3.7Å; R442-D497 PolarHBondContact NE-OD1 3.24Å; R442-D497 IonicContact NE-OD2 2.62Å; R442-D497 IonicContact NH2-OD1 2.78Å; R442-D497 PolarHBondContact NH2-OD1 2.9Å; R442-D497 IonicContact NH2-OD2 3.06Å; R442-D497 PolarHBondContact NH2-OD2 3Å | ||
| 443 | G | 83.4 | Confident | 72.5 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -123.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 444 | N | 84.2 | Confident | 75.6 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 3.5 | 178.3 | -65.6 | -19.5 | 0 | 0 | 0 | 113.7 | P310 N311 R442 N446 | P310-N444 WeakPolarHBondContact CD-O 3.38Å; N311-N444 PolarHBondContact ND2-ND2 2.8Å; N311-N444 VanDerWaalsContact ND2-ND2 3.13Å; R442-N444 PolarHBondContact O-N 3.14Å; N444-N446 PolarHBondContact O-N 2.9Å |
| 445 | V | 90.4 | Very high | 78.6 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | trans | -72.4 | 131 | -177.9 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | A231 D232 G308 R442 L450 L496 | A231-V445 HydrophobicContact CB-CG2 3.88Å; D232-V445 HydrophobicContact CB-CG2 3.57Å; G308-V445 WeakPolarHBondContact O-CA 3.29Å; R442-V445 WeakPolarHBondContact O-CB 3.42Å; R442-V445 PolarHBondContact O-N 2.89Å; V445-L450 HydrophobicContact CG1-CD2 4.25Å; V445-L496 HydrophobicContact CB-CD2 3.86Å; V445-L496 HydrophobicContact CG1-CD2 3.37Å | ||
| 446 | N | 90.8 | Very high | 81.4 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | trans | -106.2 | 122.9 | 172.2 | -173.2 | -51.9 | 0 | 0 | 0 | 109.9 | G308 L350 N444 V448 I449 L450 | G308-N446 PolarHBondContact O-N 3.47Å; L350-N446 HydrophobicContact CD1-CB 4.46Å; L350-N446 WeakPolarHBondContact CD1-ND2 3.45Å; L350-N446 WeakPolarHBondContact CD2-ND2 3.26Å; N444-N446 PolarHBondContact O-N 2.9Å; N446-V448 VanDerWaalsContact C-N 3.28Å; N446-V448 PolarHBondContact O-N 2.8Å; N446-V448 WeakPolarHBondContact OD1-CA 3.37Å; N446-V448 WeakPolarHBondContact OD1-CB 3.38Å; N446-V448 WeakPolarHBondContact OD1-CG2 3.31Å; N446-V448 PolarHBondContact OD1-N 2.76Å; N446-I449 HydrophobicContact CB-CB 4.29Å; N446-I449 HydrophobicContact CB-CD1 4.08Å; N446-I449 HydrophobicContact CB-CG1 4.15Å; N446-I449 PolarHBondContact O-N 2.77Å; N446-I449 PolarHBondContact OD1-N 3.42Å; N446-L450 PolarHBondContact O-N 3Å | ||
| 447 | S | 92.1 | Very high | 84.4 | Confident | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -29.8 | -179 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | L450 A451 E489 T492 | S447-L450 PolarHBondContact O-N 2.85Å; S447-A451 WeakPolarHBondContact O-CB 3.48Å; S447-A451 PolarHBondContact O-N 2.85Å; S447-E489 WeakPolarHBondContact CB-O 3.36Å; S447-T492 PolarHBondContact O-OG1 3.3Å; S447-T492 VanDerWaalsContact O-OG1 3.13Å |
| 448 | V | 92.5 | Very high | 87.2 | Confident | 44 Ų | 44 | 26.2 Ų | 26.2 | 27% | 0.267 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 174.7 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | P347 N446 R452 E489 | P347-V448 HydrophobicContact CB-CG1 4.38Å; P347-V448 HydrophobicContact CG-CB 4.49Å; P347-V448 HydrophobicContact CG-CG1 3.62Å; N446-V448 VanDerWaalsContact C-N 3.28Å; N446-V448 PolarHBondContact O-N 2.8Å; N446-V448 WeakPolarHBondContact OD1-CA 3.37Å; N446-V448 WeakPolarHBondContact OD1-CB 3.38Å; N446-V448 WeakPolarHBondContact OD1-CG2 3.31Å; N446-V448 PolarHBondContact OD1-N 2.76Å; V448-R452 WeakPolarHBondContact O-CB 3.23Å; V448-R452 PolarHBondContact O-N 3.18Å; V448-E489 HydrophobicContact CG2-CB 4.13Å; V448-E489 WeakPolarHBondContact CG2-OE2 3.31Å |
| 449 | I | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 176.1 | -67.4 | 179 | 0 | 0 | 0 | 110.1 | P310 F346 L350 N446 A451 R452 N453 | P310-I449 HydrophobicContact CB-CD1 3.42Å; P310-I449 VanDerWaalsContact CB-CD1 3.42Å; P310-I449 HydrophobicContact CG-CD1 4.11Å; F346-I449 HydrophobicContact CE1-CD1 4.26Å; F346-I449 HydrophobicContact CE2-CD1 4.07Å; F346-I449 HydrophobicContact CE2-CG1 4.24Å; F346-I449 HydrophobicContact CE2-CG2 4.45Å; F346-I449 HydrophobicContact CZ-CD1 3.49Å; F346-I449 VanDerWaalsContact CZ-CD1 3.49Å; F346-I449 HydrophobicContact CZ-CG1 4.01Å; L350-I449 HydrophobicContact CD1-CD1 3.6Å; L350-I449 HydrophobicContact CD1-CG1 3.62Å; N446-I449 HydrophobicContact CB-CB 4.29Å; N446-I449 HydrophobicContact CB-CD1 4.08Å; N446-I449 HydrophobicContact CB-CG1 4.15Å; N446-I449 PolarHBondContact O-N 2.77Å; N446-I449 PolarHBondContact OD1-N 3.42Å; I449-A451 PolarHBondContact O-N 2.87Å; I449-R452 WeakPolarHBondContact O-CB 3.37Å; I449-R452 PolarHBondContact O-N 3.33Å; I449-R452 VanDerWaalsContact O-N 3.16Å; I449-N453 WeakPolarHBondContact O-CB 3.42Å; I449-N453 PolarHBondContact O-N 3.05Å |
| 450 | L | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.2 | -49.9 | 178.7 | -165.8 | 57.3 | 0 | 0 | 0 | 111 | V239 I240 V445 N446 S447 R452 N453 T454 T492 L496 | V239-L450 HydrophobicContact CB-CD2 3.9Å; V239-L450 HydrophobicContact CG1-CD2 3.63Å; V239-L450 HydrophobicContact CG1-CG 4.1Å; V239-L450 HydrophobicContact CG2-CD2 4.14Å; I240-L450 HydrophobicContact CD1-CD1 3.82Å; I240-L450 HydrophobicContact CG1-CD1 3.66Å; I240-L450 HydrophobicContact CG1-CG 4.46Å; V445-L450 HydrophobicContact CG1-CD2 4.25Å; N446-L450 PolarHBondContact O-N 3Å; S447-L450 PolarHBondContact O-N 2.85Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 2.93Å; L450-N453 PolarHBondContact O-N 3.43Å; L450-T454 PolarHBondContact O-N 3Å; L450-T454 PolarHBondContact O-OG1 2.8Å; L450-T492 HydrophobicContact CG-CG2 4.42Å; L450-L496 HydrophobicContact CD2-CD2 4.34Å |
| 451 | A | 96.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 13 Ų | 13 | 2% | 0.017 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S447 I449 R455 N488 T492 | S447-A451 WeakPolarHBondContact O-CB 3.48Å; S447-A451 PolarHBondContact O-N 2.85Å; I449-A451 PolarHBondContact O-N 2.87Å; A451-R455 WeakPolarHBondContact O-CG 3.37Å; A451-R455 PolarHBondContact O-N 3.02Å; A451-R455 VanDerWaalsContact O-N 3.17Å; A451-R455 PolarHBondContact O-NE 2.79Å; A451-N488 VanDerWaalsContact CB-C 3.43Å; A451-T492 HydrophobicContact CB-CG2 3.97Å |
| 452 | R | 94.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 1% | 0.011 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.6 | -47.6 | 174.4 | 178.7 | -94.9 | 177.1 | -178.1 | 2.8 | 111 | S341 H344 V448 I449 L450 R455 V456 | S341-R452 PolarHBondContact O-NH2 2.97Å; S341-R452 VanDerWaalsContact O-NH2 3.16Å; H344-R452 HydrophobicContact CB-CG 4.27Å; H344-R452 PolarHBondContact O-NE 2.82Å; H344-R452 PolarHBondContact O-NH2 3.45Å; H344-R452 VanDerWaalsContact O-NH2 3.16Å; V448-R452 WeakPolarHBondContact O-CB 3.23Å; V448-R452 PolarHBondContact O-N 3.18Å; I449-R452 WeakPolarHBondContact O-CB 3.37Å; I449-R452 PolarHBondContact O-N 3.33Å; I449-R452 VanDerWaalsContact O-N 3.16Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 2.93Å; R452-R455 WeakPolarHBondContact O-CB 3.45Å; R452-R455 PolarHBondContact O-N 3.39Å; R452-R455 VanDerWaalsContact O-N 3.14Å; R452-V456 WeakPolarHBondContact O-CG2 3.35Å; R452-V456 PolarHBondContact O-N 3.43Å |
| 453 | N | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.2 | -36.5 | -178.9 | -72.2 | -12 | 0 | 0 | 0 | 111.7 | I240 L307 N401 I449 L450 R455 V456 I457 | I240-N453 HydrophobicContact CD1-CB 4.39Å; L307-N453 PolarHBondContact O-ND2 3.04Å; N401-N453 PolarHBondContact OD1-ND2 3.29Å; I449-N453 WeakPolarHBondContact O-CB 3.42Å; I449-N453 PolarHBondContact O-N 3.05Å; L450-N453 PolarHBondContact O-N 3.43Å; N453-R455 VanDerWaalsContact C-N 3.34Å; N453-R455 PolarHBondContact O-N 3.31Å; N453-V456 PolarHBondContact O-N 2.92Å; N453-I457 WeakPolarHBondContact O-CG1 3.48Å; N453-I457 PolarHBondContact O-N 3.43Å |
| 454 | T | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55 | -49.3 | 168.2 | -56 | 0 | 0 | 0 | 0 | 111.2 | E243 L244 L450 V456 I457 L458 | E243-T454 HydrophobicContact CB-CG2 4Å; E243-T454 HydrophobicContact CG-CG2 3.49Å; E243-T454 VanDerWaalsContact CG-CG2 3.49Å; L244-T454 HydrophobicContact CD2-CG2 4.25Å; L244-T454 HydrophobicContact CG-CG2 4.47Å; L450-T454 PolarHBondContact O-N 3Å; L450-T454 PolarHBondContact O-OG1 2.8Å; T454-V456 PolarHBondContact O-N 3.48Å; T454-I457 PolarHBondContact O-N 3.29Å; T454-L458 WeakPolarHBondContact O-CB 3.43Å; T454-L458 PolarHBondContact O-N 2.88Å |
| 455 | R | 97.1 | Very high | 94.4 | Very high | 42 Ų | 42 | 8 Ų | 8 | 16% | 0.158 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 179.8 | -70.6 | 179.5 | -74.8 | 164 | -6.4 | 112 | A451 R452 N453 I457 L458 E459 V482 | A451-R455 WeakPolarHBondContact O-CG 3.37Å; A451-R455 PolarHBondContact O-N 3.02Å; A451-R455 VanDerWaalsContact O-N 3.17Å; A451-R455 PolarHBondContact O-NE 2.79Å; R452-R455 WeakPolarHBondContact O-CB 3.45Å; R452-R455 PolarHBondContact O-N 3.39Å; R452-R455 VanDerWaalsContact O-N 3.14Å; N453-R455 VanDerWaalsContact C-N 3.34Å; N453-R455 PolarHBondContact O-N 3.31Å; R455-I457 VanDerWaalsContact C-N 3.35Å; R455-I457 PolarHBondContact O-N 2.72Å; R455-L458 PolarHBondContact O-N 3.35Å; R455-E459 WeakPolarHBondContact O-CB 3.26Å; R455-E459 PolarHBondContact O-N 3.36Å; R455-V482 HydrophobicContact CB-CG1 4.02Å; R455-V482 HydrophobicContact CG-CG1 3.73Å |
| 456 | V | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | M316 L337 A340 H344 R452 N453 T454 G460 | M316-V456 HydrophobicContact CE-CG1 3.96Å; L337-V456 HydrophobicContact CD2-CG1 4.22Å; A340-V456 HydrophobicContact CB-CG1 4.03Å; A340-V456 WeakPolarHBondContact CB-O 3.44Å; H344-V456 HydrophobicContact CB-CG2 3.71Å; R452-V456 WeakPolarHBondContact O-CG2 3.35Å; R452-V456 PolarHBondContact O-N 3.43Å; N453-V456 PolarHBondContact O-N 2.92Å; T454-V456 PolarHBondContact O-N 3.48Å; V456-G460 PolarHBondContact O-N 2.77Å |
| 457 | I | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68.2 | -44.3 | -179.1 | -66 | 164.1 | 0 | 0 | 0 | 110.8 | I240 L244 L304 L307 M316 L337 L399 N453 T454 R455 G460 L461 | I240-I457 HydrophobicContact CD1-CD1 4.34Å; I240-I457 HydrophobicContact CG2-CD1 4Å; L244-I457 HydrophobicContact CD1-CG2 3.76Å; L244-I457 HydrophobicContact CD2-CG2 4.43Å; L304-I457 HydrophobicContact CD2-CD1 3.94Å; L307-I457 HydrophobicContact CD1-CD1 3.96Å; M316-I457 HydrophobicContact CE-CG1 4.12Å; M316-I457 HydrophobicContact SD-CD1 4.28Å; M316-I457 HydrophobicContact SD-CG1 4.31Å; L337-I457 HydrophobicContact CD2-CG1 4.45Å; L399-I457 HydrophobicContact CD1-CD1 4.13Å; L399-I457 HydrophobicContact CD1-CG1 3.98Å; N453-I457 WeakPolarHBondContact O-CG1 3.48Å; N453-I457 PolarHBondContact O-N 3.43Å; T454-I457 PolarHBondContact O-N 3.29Å; R455-I457 VanDerWaalsContact C-N 3.35Å; R455-I457 PolarHBondContact O-N 2.72Å; I457-G460 PolarHBondContact O-N 3.13Å; I457-L461 HydrophobicContact CG2-CD1 4.15Å; I457-L461 WeakPolarHBondContact O-CB 3.42Å; I457-L461 WeakPolarHBondContact O-CG 3.23Å; I457-L461 PolarHBondContact O-N 3.37Å |
| 458 | L | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.5 | -48.7 | 177.1 | -177 | 60 | 0 | 0 | 0 | 111.4 | L244 L247 I248 T454 R455 G460 L461 L462 V482 W486 | L244-L458 HydrophobicContact CD2-CB 3.61Å; L244-L458 HydrophobicContact CD2-CD1 3.97Å; L244-L458 HydrophobicContact CD2-CG 4.3Å; L247-L458 HydrophobicContact CB-CD2 3.81Å; L247-L458 HydrophobicContact CD1-CD2 3.57Å; L247-L458 HydrophobicContact CG-CD2 4.25Å; I248-L458 HydrophobicContact CD1-CD1 4.16Å; I248-L458 HydrophobicContact CG1-CD1 3.7Å; T454-L458 WeakPolarHBondContact O-CB 3.43Å; T454-L458 PolarHBondContact O-N 2.88Å; R455-L458 PolarHBondContact O-N 3.35Å; L458-G460 VanDerWaalsContact C-N 3.32Å; L458-G460 PolarHBondContact O-N 3.42Å; L458-L461 WeakPolarHBondContact O-CB 3.24Å; L458-L461 PolarHBondContact O-N 3.4Å; L458-L462 HydrophobicContact CD1-CD1 4.03Å; L458-L462 HydrophobicContact CD1-CD2 4.28Å; L458-L462 HydrophobicContact CD1-CG 3.96Å; L458-L462 HydrophobicContact CD2-CD1 4.49Å; L458-L462 HydrophobicContact CG-CD1 3.87Å; L458-L462 HydrophobicContact CG-CG 4.2Å; L458-L462 VanDerWaalsContact O-CG 3.26Å; L458-L462 WeakPolarHBondContact O-CG 3.44Å; L458-L462 PolarHBondContact O-N 3.37Å; L458-V482 HydrophobicContact CB-CG2 4.13Å; L458-V482 HydrophobicContact CD2-CG1 3.96Å; L458-V482 HydrophobicContact CD2-CG2 3.77Å; L458-V482 HydrophobicContact CG-CG2 3.71Å; L458-W486 HydrophobicContact CD2-CE3 3.93Å; L458-W486 HydrophobicContact CD2-CZ3 4.33Å |
| 459 | E | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.8 | -46 | 177.2 | -178.6 | 76.3 | -170.6 | 0 | 0 | 110.9 | A340 R455 L461 L462 R463 I481 V482 | A340-E459 HydrophobicContact CB-CB 3.76Å; A340-E459 HydrophobicContact CB-CG 3.6Å; R455-E459 WeakPolarHBondContact O-CB 3.26Å; R455-E459 PolarHBondContact O-N 3.36Å; E459-L461 VanDerWaalsContact C-N 3.35Å; E459-L461 PolarHBondContact O-N 3.31Å; E459-L462 PolarHBondContact O-N 2.92Å; E459-R463 WeakPolarHBondContact O-CB 3.5Å; E459-R463 VanDerWaalsContact O-CG 3.25Å; E459-R463 WeakPolarHBondContact O-CG 3.4Å; E459-R463 PolarHBondContact O-N 3.19Å; E459-R463 IonicContact OE1-CZ 3.13Å; E459-R463 IonicContact OE1-NE 2.8Å; E459-R463 PolarHBondContact OE1-NE 3Å; E459-R463 IonicContact OE1-NH2 2.66Å; E459-R463 PolarHBondContact OE1-NH2 3.3Å; E459-I481 WeakPolarHBondContact OE1-CG1 3.44Å; E459-I481 PolarHBondContact OE1-N 3.3Å; E459-I481 WeakPolarHBondContact OE2-CA 3.23Å; E459-I481 VanDerWaalsContact OE2-CB 3.26Å; E459-I481 WeakPolarHBondContact OE2-CB 3.42Å; E459-I481 PolarHBondContact OE2-N 2.88Å; E459-V482 HydrophobicContact CB-CG2 4.1Å; E459-V482 WeakPolarHBondContact OE2-CB 3.29Å; E459-V482 VanDerWaalsContact OE2-CG2 3.31Å; E459-V482 WeakPolarHBondContact OE2-CG2 3.43Å; E459-V482 PolarHBondContact OE2-N 3.27Å |
| 460 | G | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V456 I457 L458 V464 | V456-G460 PolarHBondContact O-N 2.77Å; I457-G460 PolarHBondContact O-N 3.13Å; L458-G460 VanDerWaalsContact C-N 3.32Å; L458-G460 PolarHBondContact O-N 3.42Å; G460-V464 WeakPolarHBondContact O-CG2 3.48Å; G460-V464 PolarHBondContact O-N 2.82Å |
| 461 | L | 95.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -55 | 176.4 | -80.6 | 172.5 | 0 | 0 | 0 | 111.3 | I214 I248 I302 F329 F333 I457 L458 E459 R463 V464 L465 | I214-L461 HydrophobicContact CD1-CD1 3.9Å; I248-L461 HydrophobicContact CD1-CD1 4.46Å; I302-L461 HydrophobicContact CD1-CD2 3.57Å; I302-L461 HydrophobicContact CD1-CG 4.46Å; F329-L461 HydrophobicContact CZ-CD2 4.4Å; F333-L461 HydrophobicContact CD2-CD2 4.29Å; F333-L461 HydrophobicContact CE2-CB 4.46Å; F333-L461 HydrophobicContact CE2-CD2 3.8Å; F333-L461 HydrophobicContact CE2-CG 3.76Å; F333-L461 HydrophobicContact CZ-CD2 4.23Å; F333-L461 HydrophobicContact CZ-CG 4.25Å; I457-L461 HydrophobicContact CG2-CD1 4.15Å; I457-L461 WeakPolarHBondContact O-CB 3.42Å; I457-L461 WeakPolarHBondContact O-CG 3.23Å; I457-L461 PolarHBondContact O-N 3.37Å; L458-L461 WeakPolarHBondContact O-CB 3.24Å; L458-L461 PolarHBondContact O-N 3.4Å; E459-L461 VanDerWaalsContact C-N 3.35Å; E459-L461 PolarHBondContact O-N 3.31Å; L461-R463 VanDerWaalsContact C-N 3.26Å; L461-R463 PolarHBondContact O-N 3.33Å; L461-V464 PolarHBondContact O-N 2.59Å; L461-L465 HydrophobicContact CB-CD1 4.43Å; L461-L465 VanDerWaalsContact O-CG 3.25Å; L461-L465 WeakPolarHBondContact O-CG 3.48Å; L461-L465 PolarHBondContact O-N 3.27Å |
| 462 | L | 94.1 | Very high | 87.5 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -39 | -176.5 | -65.4 | 177.2 | 0 | 0 | 0 | 111.8 | L251 L458 E459 V464 L465 Y466 I481 V482 W486 | L251-L462 HydrophobicContact CD1-CD1 4.05Å; L251-L462 HydrophobicContact CD1-CD2 3.51Å; L251-L462 HydrophobicContact CD1-CG 4.45Å; L458-L462 HydrophobicContact CD1-CD1 4.03Å; L458-L462 HydrophobicContact CD1-CD2 4.28Å; L458-L462 HydrophobicContact CD1-CG 3.96Å; L458-L462 HydrophobicContact CD2-CD1 4.49Å; L458-L462 HydrophobicContact CG-CD1 3.87Å; L458-L462 HydrophobicContact CG-CG 4.2Å; L458-L462 VanDerWaalsContact O-CG 3.26Å; L458-L462 WeakPolarHBondContact O-CG 3.44Å; L458-L462 PolarHBondContact O-N 3.37Å; E459-L462 PolarHBondContact O-N 2.92Å; L462-V464 VanDerWaalsContact C-N 3.32Å; L462-V464 PolarHBondContact O-N 3.45Å; L462-L465 PolarHBondContact O-N 3Å; L462-Y466 HydrophobicContact CB-CD2 4.38Å; L462-Y466 HydrophobicContact CD2-CD2 4.35Å; L462-Y466 HydrophobicContact CD2-CE2 3.89Å; L462-Y466 WeakPolarHBondContact O-CB 3.31Å; L462-Y466 WeakPolarHBondContact O-CD2 3.48Å; L462-Y466 PolarHBondContact O-N 3.22Å; L462-I481 HydrophobicContact CD1-CG2 4.48Å; L462-V482 HydrophobicContact CD1-CG2 3.82Å; L462-W486 HydrophobicContact CD1-CZ3 4.18Å |
| 463 | R | 92.4 | Very high | 85.5 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.1 | -75.4 | 174.1 | 179.5 | -81.8 | -6.4 | 112.2 | A336 L343 E459 L461 E467 I468 M470 N478 S479 I481 | A336-R463 HydrophobicContact CB-CB 3.98Å; L343-R463 VanDerWaalsContact CD1-NH2 3.27Å; E459-R463 WeakPolarHBondContact O-CB 3.5Å; E459-R463 VanDerWaalsContact O-CG 3.25Å; E459-R463 WeakPolarHBondContact O-CG 3.4Å; E459-R463 PolarHBondContact O-N 3.19Å; E459-R463 IonicContact OE1-CZ 3.13Å; E459-R463 IonicContact OE1-NE 2.8Å; E459-R463 PolarHBondContact OE1-NE 3Å; E459-R463 IonicContact OE1-NH2 2.66Å; E459-R463 PolarHBondContact OE1-NH2 3.3Å; L461-R463 VanDerWaalsContact C-N 3.26Å; L461-R463 PolarHBondContact O-N 3.33Å; R463-E467 CarbonylContact O-C 3.53Å; R463-E467 WeakPolarHBondContact O-CA 3.31Å; R463-E467 PolarHBondContact O-N 3.45Å; R463-I468 PolarHBondContact O-N 2.92Å; R463-M470 HydrophobicContact CB-CE 4.21Å; R463-M470 WeakPolarHBondContact O-CE 3.45Å; R463-N478 PolarHBondContact NH1-ND2 3.37Å; R463-S479 PolarHBondContact NH2-O 2.73Å; R463-I481 HydrophobicContact CG-CD1 3.68Å |
| 464 | V | 92.9 | Very high | 83.5 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.8 | -45.3 | 176.7 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | F329 F333 A336 G460 L461 L462 Y466 E467 M470 | F329-V464 HydrophobicContact CD2-CG1 3.54Å; F329-V464 HydrophobicContact CE1-CG1 4.41Å; F329-V464 HydrophobicContact CE2-CB 4.17Å; F329-V464 HydrophobicContact CE2-CG1 3.32Å; F329-V464 HydrophobicContact CG-CG1 4.18Å; F329-V464 HydrophobicContact CZ-CB 4.26Å; F329-V464 HydrophobicContact CZ-CG1 3.79Å; F333-V464 VanDerWaalsContact CA-CG2 3.49Å; F333-V464 HydrophobicContact CB-CG2 4.02Å; F333-V464 HydrophobicContact CD2-CG2 4.3Å; A336-V464 HydrophobicContact CB-CG2 4.04Å; G460-V464 WeakPolarHBondContact O-CG2 3.48Å; G460-V464 PolarHBondContact O-N 2.82Å; L461-V464 PolarHBondContact O-N 2.59Å; L462-V464 VanDerWaalsContact C-N 3.32Å; L462-V464 PolarHBondContact O-N 3.45Å; V464-Y466 PolarHBondContact O-N 3.39Å; V464-E467 PolarHBondContact O-N 3.02Å; V464-M470 HydrophobicContact CB-CE 4.33Å; V464-M470 HydrophobicContact CG2-CE 3.97Å |
| 465 | L | 91.1 | Very high | 81.3 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | -175.4 | -64.6 | 173 | 0 | 0 | 0 | 113.2 | I212 L259 Y261 I263 F329 L461 L462 | I212-L465 HydrophobicContact CD1-CD2 3.33Å; L259-L465 HydrophobicContact CD1-CB 3.72Å; L259-L465 HydrophobicContact CD1-CD1 3.86Å; L259-L465 HydrophobicContact CD1-CG 4.31Å; L259-L465 HydrophobicContact CD2-CB 4.13Å; L259-L465 WeakPolarHBondContact CD2-O 3.27Å; Y261-L465 HydrophobicContact CD1-CD2 4.28Å; Y261-L465 HydrophobicContact CD2-CD2 3.57Å; Y261-L465 HydrophobicContact CE1-CD2 4.49Å; Y261-L465 HydrophobicContact CE2-CD2 3.82Å; Y261-L465 HydrophobicContact CG-CD2 3.82Å; I263-L465 HydrophobicContact CD1-CD1 4.39Å; F329-L465 HydrophobicContact CE2-CD2 4.18Å; F329-L465 HydrophobicContact CZ-CD2 4.48Å; L461-L465 HydrophobicContact CB-CD1 4.43Å; L461-L465 VanDerWaalsContact O-CG 3.25Å; L461-L465 WeakPolarHBondContact O-CG 3.48Å; L461-L465 PolarHBondContact O-N 3.27Å; L462-L465 PolarHBondContact O-N 3Å |
| 466 | Y | 88.9 | Confident | 79.2 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 7.5 | 177.1 | -69.7 | -79.6 | 0 | 0 | 0 | 113 | N257 L259 L462 V464 I468 | N257-Y466 PolarHBondContact O-OH 2.95Å; L259-Y466 HydrophobicContact CD1-CD2 4.4Å; L259-Y466 HydrophobicContact CD1-CE1 4.42Å; L259-Y466 HydrophobicContact CD1-CE2 3.77Å; L259-Y466 HydrophobicContact CD2-CD1 3.52Å; L259-Y466 HydrophobicContact CD2-CD2 4.11Å; L259-Y466 HydrophobicContact CD2-CE1 3.35Å; L259-Y466 HydrophobicContact CD2-CE2 3.98Å; L259-Y466 HydrophobicContact CD2-CG 3.88Å; L259-Y466 HydrophobicContact CG-CD1 4.48Å; L259-Y466 HydrophobicContact CG-CE1 3.87Å; L259-Y466 HydrophobicContact CG-CE2 4.14Å; L462-Y466 HydrophobicContact CB-CD2 4.38Å; L462-Y466 HydrophobicContact CD2-CD2 4.35Å; L462-Y466 HydrophobicContact CD2-CE2 3.89Å; L462-Y466 WeakPolarHBondContact O-CB 3.31Å; L462-Y466 WeakPolarHBondContact O-CD2 3.48Å; L462-Y466 PolarHBondContact O-N 3.22Å; V464-Y466 PolarHBondContact O-N 3.39Å; Y466-I468 HydrophobicContact CG-CD1 4.4Å; Y466-I468 PolarHBondContact O-N 2.95Å; Y466-I468 VanDerWaalsContact O-N 3.11Å |
| 467 | E | 85.7 | Confident | 77.3 | Confident | 145 Ų | 145 | 59.3 Ų | 59.3 | 68% | 0.678 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 31.5 | -178.6 | -58.1 | -176.9 | 173.7 | 0 | 0 | 114.1 | R463 V464 N469 | R463-E467 CarbonylContact O-C 3.53Å; R463-E467 WeakPolarHBondContact O-CA 3.31Å; R463-E467 PolarHBondContact O-N 3.45Å; V464-E467 PolarHBondContact O-N 3.02Å; E467-N469 PolarHBondContact O-N 3.17Å |
| 468 | I | 81 | Confident | 75.9 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 120.5 | -174.5 | -60.7 | 167.4 | 0 | 0 | 0 | 109.8 | R463 Y466 M470 I481 | R463-I468 PolarHBondContact O-N 2.92Å; Y466-I468 HydrophobicContact CG-CD1 4.4Å; Y466-I468 PolarHBondContact O-N 2.95Å; Y466-I468 VanDerWaalsContact O-N 3.11Å; I468-M470 VanDerWaalsContact C-N 3.3Å; I468-M470 PolarHBondContact O-N 3.42Å; I468-I481 HydrophobicContact CD1-CD1 3.62Å; I468-I481 HydrophobicContact CG2-CD1 4.35Å |
| 469 | N | 68 | Low | 75.2 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 31.1 | 172.7 | -63.4 | -18.3 | 0 | 0 | 0 | 115.3 | E467 N471 M474 N478 | E467-N469 PolarHBondContact O-N 3.17Å; N469-N471 VanDerWaalsContact C-N 3.3Å; N469-N471 PolarHBondContact O-N 3.27Å; N469-M474 WeakPolarHBondContact O-CE 3.43Å; N469-M474 WeakPolarHBondContact O-CG 3.09Å; N469-N478 PolarHBondContact ND2-ND2 3.4Å; N469-N478 PolarHBondContact ND2-OD1 3.1Å |
| 470 | M | 64.6 | Low | 74.9 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -64.9 | -29.6 | 179.5 | -69.9 | -62.5 | 146.9 | 0 | 0 | 114.3 | Y332 R463 V464 I468 M474 | Y332-M470 HydrophobicContact CD1-CG 4.47Å; Y332-M470 HydrophobicContact CD1-SD 3.55Å; Y332-M470 VanDerWaalsContact CD1-SD 3.55Å; Y332-M470 HydrophobicContact CE1-SD 4.38Å; Y332-M470 HydrophobicContact CG-SD 3.86Å; R463-M470 HydrophobicContact CB-CE 4.21Å; R463-M470 WeakPolarHBondContact O-CE 3.45Å; V464-M470 HydrophobicContact CB-CE 4.33Å; V464-M470 HydrophobicContact CG2-CE 3.97Å; I468-M470 VanDerWaalsContact C-N 3.3Å; I468-M470 PolarHBondContact O-N 3.42Å; M470-M474 HydrophobicContact CE-CE 3.69Å; M470-M474 HydrophobicContact SD-CE 3.78Å |
| 471 | N | 61.6 | Low | 74.6 | Confident | 155 Ų | 155 | 71.5 Ų | 71.5 | 83% | 0.829 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -99.8 | -18.2 | -172.8 | -66.6 | -19.8 | 0 | 0 | 0 | 114.5 | N469 | N469-N471 VanDerWaalsContact C-N 3.3Å; N469-N471 PolarHBondContact O-N 3.27Å |
| 472 | Q | 53.8 | Low | 74.5 | Confident | 141 Ų | 141 | 71.3 Ų | 71.3 | 66% | 0.659 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -91.9 | 151.4 | 178.8 | -73.6 | 179.5 | -5.8 | 0 | 0 | 110 | M474 | Q472-M474 VanDerWaalsContact C-N 3.34Å; Q472-M474 PolarHBondContact O-N 3.35Å |
| 473 | S | 54.1 | Low | 74.4 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | trans | -52.6 | 99.2 | 170.6 | 54.4 | 0 | 0 | 0 | 0 | 108.8 | I475 | S473-I475 PolarHBondContact O-N 2.87Š| ||
| 474 | M | 52.8 | Low | 74.3 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 11% | 0.113 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -8.1 | -167.4 | -82.9 | -128.5 | -169.5 | 0 | 0 | 115 | V339 N469 M470 Q472 N478 | V339-M474 HydrophobicContact CB-CB 4.49Å; V339-M474 HydrophobicContact CB-SD 4.21Å; V339-M474 HydrophobicContact CG1-CB 4.39Å; V339-M474 HydrophobicContact CG1-SD 4.27Å; V339-M474 HydrophobicContact CG2-CB 3.41Å; V339-M474 VanDerWaalsContact CG2-CB 3.41Å; V339-M474 HydrophobicContact CG2-CG 4.12Å; V339-M474 HydrophobicContact CG2-SD 3.76Å; N469-M474 WeakPolarHBondContact O-CE 3.43Å; N469-M474 WeakPolarHBondContact O-CG 3.09Å; M470-M474 HydrophobicContact CE-CE 3.69Å; M470-M474 HydrophobicContact SD-CE 3.78Å; Q472-M474 VanDerWaalsContact C-N 3.34Å; Q472-M474 PolarHBondContact O-N 3.35Å; M474-N478 PolarHBondContact O-ND2 3.43Å; M474-N478 VanDerWaalsContact O-ND2 3.14Å |
| 475 | I | 52.7 | Low | 74.3 | Confident | 114 Ų | 114 | 81.9 Ų | 81.9 | 59% | 0.585 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -28.1 | -162.5 | -62.4 | 171.8 | 0 | 0 | 0 | 113.2 | S473 | S473-I475 PolarHBondContact O-N 2.87Š|
| 476 | M | 52 | Low | 74.4 | Confident | 150 Ų | 150 | 84 Ų | 84 | 74% | 0.739 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -90 | -16.9 | -157 | -72.3 | -69.6 | -92.7 | 0 | 0 | 117.7 | ||
| 477 | N | 56.2 | Low | 74.7 | Confident | 161 Ų | 161 | 80.2 Ų | 80.2 | 86% | 0.861 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -162.3 | 38.7 | -178.2 | -92.4 | -27.8 | 0 | 0 | 0 | 115.3 | ||
| 478 | N | 69.6 | Low | 75.1 | Confident | 41 Ų | 41 | 75.9 Ų | 75.9 | 22% | 0.219 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 122.7 | 179.6 | -72.9 | -18.3 | 0 | 0 | 0 | 111.3 | L343 R463 N469 M474 | L343-N478 HydrophobicContact CD1-CB 4.45Å; L343-N478 WeakPolarHBondContact CD2-O 3.24Å; R463-N478 PolarHBondContact NH1-ND2 3.37Å; N469-N478 PolarHBondContact ND2-ND2 3.4Å; N469-N478 PolarHBondContact ND2-OD1 3.1Å; M474-N478 PolarHBondContact O-ND2 3.43Å; M474-N478 VanDerWaalsContact O-ND2 3.14Å |
| 479 | S | 83.1 | Confident | 75.7 | Confident | 93 Ų | 93 | 78.2 Ų | 78.2 | 65% | 0.65 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 149.1 | 160.1 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | R463 I481 | R463-S479 PolarHBondContact NH2-O 2.73Å; S479-I481 PolarHBondContact O-N 3.02Å |
| 480 | P | 87.9 | Confident | 76.9 | Confident | 62 Ų | 62 | 81.5 Ų | 81.5 | 40% | 0.403 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 134.8 | 170.5 | 26.2 | -33 | 0 | 0 | 0 | 110.2 | L343 | L343-P480 HydrophobicContact CB-CB 4.42Š|
| 481 | I | 89.4 | Confident | 78.3 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 31% | 0.308 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -74.9 | -42.4 | 173.4 | -58.5 | 161.3 | 0 | 0 | 0 | 108.8 | E459 L462 R463 I468 S479 G483 | E459-I481 WeakPolarHBondContact OE1-CG1 3.44Å; E459-I481 PolarHBondContact OE1-N 3.3Å; E459-I481 WeakPolarHBondContact OE2-CA 3.23Å; E459-I481 VanDerWaalsContact OE2-CB 3.26Å; E459-I481 WeakPolarHBondContact OE2-CB 3.42Å; E459-I481 PolarHBondContact OE2-N 2.88Å; L462-I481 HydrophobicContact CD1-CG2 4.48Å; R463-I481 HydrophobicContact CG-CD1 3.68Å; I468-I481 HydrophobicContact CD1-CD1 3.62Å; I468-I481 HydrophobicContact CG2-CD1 4.35Å; S479-I481 PolarHBondContact O-N 3.02Å; I481-G483 PolarHBondContact O-N 2.88Å |
| 482 | V | 93 | Very high | 79.8 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -84.7 | 109.3 | 180 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | H344 R455 L458 E459 L462 W486 | H344-V482 PolarHBondContact CE1-O 3.02Å; H344-V482 VanDerWaalsContact CE1-O 3.25Å; R455-V482 HydrophobicContact CB-CG1 4.02Å; R455-V482 HydrophobicContact CG-CG1 3.73Å; L458-V482 HydrophobicContact CB-CG2 4.13Å; L458-V482 HydrophobicContact CD2-CG1 3.96Å; L458-V482 HydrophobicContact CD2-CG2 3.77Å; L458-V482 HydrophobicContact CG-CG2 3.71Å; E459-V482 HydrophobicContact CB-CG2 4.1Å; E459-V482 WeakPolarHBondContact OE2-CB 3.29Å; E459-V482 VanDerWaalsContact OE2-CG2 3.31Å; E459-V482 WeakPolarHBondContact OE2-CG2 3.43Å; E459-V482 PolarHBondContact OE2-N 3.27Å; L462-V482 HydrophobicContact CD1-CG2 3.82Å; V482-W486 HydrophobicContact CB-CE3 4.31Å; V482-W486 HydrophobicContact CG1-CB 4.06Å; V482-W486 HydrophobicContact CG1-CD2 4.18Å; V482-W486 HydrophobicContact CG1-CE3 3.88Å; V482-W486 HydrophobicContact CG1-CG 4.29Å; V482-W486 HydrophobicContact CG2-CE3 4.16Å; V482-W486 HydrophobicContact CG2-CZ3 4.17Å |
| 483 | G | 91.5 | Very high | 81.7 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 19% | 0.186 | 37% | 0.374 | C | S | . | . | trans | -67.3 | 154.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I481 H485 W486 | I481-G483 PolarHBondContact O-N 2.88Å; G483-H485 PolarHBondContact O-N 3.21Å; G483-W486 WeakPolarHBondContact O-CB 3.26Å; G483-W486 PolarHBondContact O-N 3.11Å; G483-W486 VanDerWaalsContact O-N 3.08Å | ||
| 484 | S | 90.6 | Very high | 83.6 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.5 | 173.5 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | W486 | S484-W486 VanDerWaalsContact C-N 3.25Å; S484-W486 PolarHBondContact O-N 3.4Å |
| 485 | H | 92.3 | Very high | 85.6 | Confident | 141 Ų | 141 | 65 Ų | 65 | 65% | 0.653 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -10.2 | 177.4 | 65.1 | -82.8 | 0 | 0 | 0 | 113.6 | G483 | G483-H485 PolarHBondContact O-N 3.21Š|
| 486 | W | 94.4 | Very high | 87.6 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -45.2 | -179.8 | -71.9 | 27.4 | 0 | 0 | 0 | 111.1 | R246 L247 L251 L458 L462 V482 G483 S484 | R246-W486 PolarHBondContact NH2-O 3.37Å; L247-W486 HydrophobicContact CD1-CB 4.45Å; L247-W486 HydrophobicContact CD2-CB 3.99Å; L247-W486 WeakPolarHBondContact CD2-O 3.18Å; L251-W486 HydrophobicContact CD1-CZ3 4.44Å; L251-W486 HydrophobicContact CD2-CH2 4.27Å; L458-W486 HydrophobicContact CD2-CE3 3.93Å; L458-W486 HydrophobicContact CD2-CZ3 4.33Å; L462-W486 HydrophobicContact CD1-CZ3 4.18Å; V482-W486 HydrophobicContact CB-CE3 4.31Å; V482-W486 HydrophobicContact CG1-CB 4.06Å; V482-W486 HydrophobicContact CG1-CD2 4.18Å; V482-W486 HydrophobicContact CG1-CE3 3.88Å; V482-W486 HydrophobicContact CG1-CG 4.29Å; V482-W486 HydrophobicContact CG2-CE3 4.16Å; V482-W486 HydrophobicContact CG2-CZ3 4.17Å; G483-W486 WeakPolarHBondContact O-CB 3.26Å; G483-W486 PolarHBondContact O-N 3.11Å; G483-W486 VanDerWaalsContact O-N 3.08Å; S484-W486 VanDerWaalsContact C-N 3.25Å; S484-W486 PolarHBondContact O-N 3.4Å |
| 487 | S | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -137.3 | 123.8 | 174.6 | -168.2 | 0 | 0 | 0 | 0 | 109.7 | E243 | E243-S487 WeakPolarHBondContact CG-OG 3.29Å; E243-S487 WeakPolarHBondContact OE1-CA 3.1Å; E243-S487 WeakPolarHBondContact OE1-CB 3.46Å; E243-S487 PolarHBondContact OE1-OG 3.06Å |
| 488 | N | 94.2 | Very high | 91.1 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | trans | -132.9 | 171.3 | -174.8 | 61.8 | 41.8 | 0 | 0 | 0 | 111.4 | A451 I490 T491 T492 | A451-N488 VanDerWaalsContact CB-C 3.43Å; N488-I490 PolarHBondContact O-N 3.49Å; N488-I490 WeakPolarHBondContact OD1-CB 3.47Å; N488-I490 PolarHBondContact OD1-N 2.72Å; N488-I490 VanDerWaalsContact OD1-N 3.15Å; N488-T491 PolarHBondContact N-OG1 2.96Å; N488-T491 VanDerWaalsContact N-OG1 3.12Å; N488-T491 PolarHBondContact O-N 3.46Å; N488-T491 PolarHBondContact O-OG1 3.46Å; N488-T491 PolarHBondContact OD1-N 3.17Å; N488-T491 PolarHBondContact OD1-OG1 3.47Å; N488-T491 VanDerWaalsContact OD1-OG1 3.08Å; N488-T492 PolarHBondContact O-N 3.01Å; N488-T492 VanDerWaalsContact O-N 3.09Å; N488-T492 PolarHBondContact O-OG1 2.83Å | ||
| 489 | E | 92.6 | Very high | 92.1 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -27.2 | -178.7 | 67.4 | -155.9 | -161.7 | 0 | 0 | 114 | S447 V448 G493 | S447-E489 WeakPolarHBondContact CB-O 3.36Å; V448-E489 HydrophobicContact CG2-CB 4.13Å; V448-E489 WeakPolarHBondContact CG2-OE2 3.31Å; E489-G493 VanDerWaalsContact O-CA 3.31Å; E489-G493 WeakPolarHBondContact O-CA 3.47Å; E489-G493 PolarHBondContact O-N 3.21Å |
| 490 | I | 93.7 | Very high | 92.5 | Very high | 125 Ų | 125 | 42.2 Ų | 42.2 | 64% | 0.641 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -71.9 | -51.5 | 178.5 | -57.1 | 173 | 0 | 0 | 0 | 109.5 | N488 G493 A494 | N488-I490 PolarHBondContact O-N 3.49Å; N488-I490 WeakPolarHBondContact OD1-CB 3.47Å; N488-I490 PolarHBondContact OD1-N 2.72Å; N488-I490 VanDerWaalsContact OD1-N 3.15Å; I490-G493 PolarHBondContact O-N 2.54Å; I490-A494 VanDerWaalsContact O-CB 3.29Å; I490-A494 WeakPolarHBondContact O-CB 3.46Å; I490-A494 PolarHBondContact O-N 3.08Å |
| 491 | T | 93.1 | Very high | 92.4 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.1 | -49.2 | -179.8 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | E243 N488 L495 | E243-T491 PolarHBondContact OE1-OG1 2.94Å; N488-T491 PolarHBondContact N-OG1 2.96Å; N488-T491 VanDerWaalsContact N-OG1 3.12Å; N488-T491 PolarHBondContact O-N 3.46Å; N488-T491 PolarHBondContact O-OG1 3.46Å; N488-T491 PolarHBondContact OD1-N 3.17Å; N488-T491 PolarHBondContact OD1-OG1 3.47Å; N488-T491 VanDerWaalsContact OD1-OG1 3.08Å; T491-L495 WeakPolarHBondContact O-CG 3.44Å; T491-L495 PolarHBondContact O-N 3.19Å; T491-L495 VanDerWaalsContact O-N 3.16Å |
| 492 | T | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.2 | -36.6 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | V239 S447 L450 A451 N488 L495 L496 | V239-T492 HydrophobicContact CG1-CG2 4.17Å; S447-T492 PolarHBondContact O-OG1 3.3Å; S447-T492 VanDerWaalsContact O-OG1 3.13Å; L450-T492 HydrophobicContact CG-CG2 4.42Å; A451-T492 HydrophobicContact CB-CG2 3.97Å; N488-T492 PolarHBondContact O-N 3.01Å; N488-T492 VanDerWaalsContact O-N 3.09Å; N488-T492 PolarHBondContact O-OG1 2.83Å; T492-L495 PolarHBondContact O-N 2.79Å; T492-L496 VanDerWaalsContact O-CB 3.3Å; T492-L496 WeakPolarHBondContact O-CB 3.43Å; T492-L496 PolarHBondContact O-N 3.42Å |
| 493 | G | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R442 E489 I490 L495 L496 D497 | R442-G493 PolarHBondContact NH2-O 2.88Å; E489-G493 VanDerWaalsContact O-CA 3.31Å; E489-G493 WeakPolarHBondContact O-CA 3.47Å; E489-G493 PolarHBondContact O-N 3.21Å; I490-G493 PolarHBondContact O-N 2.54Å; G493-L495 PolarHBondContact O-N 3.1Å; G493-L496 WeakPolarHBondContact O-CB 3.37Å; G493-L496 PolarHBondContact O-N 2.87Å; G493-D497 PolarHBondContact O-N 3.39Å |
| 494 | A | 93.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 49% | 0.488 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I490 D497 L498 | I490-A494 VanDerWaalsContact O-CB 3.29Å; I490-A494 WeakPolarHBondContact O-CB 3.46Å; I490-A494 PolarHBondContact O-N 3.08Å; A494-D497 PolarHBondContact O-N 2.99Å; A494-L498 WeakPolarHBondContact O-CB 3.3Å; A494-L498 PolarHBondContact O-N 3.45Å |
| 495 | L | 94.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 173.7 | -74.4 | 174 | 0 | 0 | 0 | 111.8 | V239 L242 E243 T491 T492 G493 D497 L498 I499 Y548 | V239-L495 HydrophobicContact CB-CB 4.39Å; V239-L495 HydrophobicContact CG1-CB 3.84Å; V239-L495 HydrophobicContact CG1-CD1 4.12Å; V239-L495 HydrophobicContact CG2-CB 3.98Å; L242-L495 HydrophobicContact CB-CD1 4.37Å; L242-L495 HydrophobicContact CD1-CD2 4.19Å; E243-L495 HydrophobicContact CB-CD1 4.32Å; T491-L495 WeakPolarHBondContact O-CG 3.44Å; T491-L495 PolarHBondContact O-N 3.19Å; T491-L495 VanDerWaalsContact O-N 3.16Å; T492-L495 PolarHBondContact O-N 2.79Å; G493-L495 PolarHBondContact O-N 3.1Å; L495-D497 VanDerWaalsContact C-N 3.35Å; L495-L498 WeakPolarHBondContact O-CB 3.44Å; L495-L498 PolarHBondContact O-N 3.3Å; L495-I499 WeakPolarHBondContact O-CD1 3.47Å; L495-I499 WeakPolarHBondContact O-CG1 3.4Å; L495-I499 PolarHBondContact O-N 3.37Å; L495-Y548 HydrophobicContact CD2-CD2 4.36Å; L495-Y548 HydrophobicContact CD2-CE1 4.08Å; L495-Y548 HydrophobicContact CD2-CE2 3.78Å |
| 496 | L | 94 | Very high | 92 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 176.4 | -175.1 | 61.5 | 0 | 0 | 0 | 111.5 | A231 V239 R442 V445 L450 T492 G493 L498 I499 T500 | A231-L496 HydrophobicContact CB-CD1 4.49Å; V239-L496 HydrophobicContact CG2-CB 4.01Å; V239-L496 HydrophobicContact CG2-CD1 4.21Å; R442-L496 HydrophobicContact CB-CD2 4.24Å; R442-L496 HydrophobicContact CG-CD2 3.63Å; R442-L496 HydrophobicContact CG-CG 4.05Å; V445-L496 HydrophobicContact CB-CD2 3.86Å; V445-L496 HydrophobicContact CG1-CD2 3.37Å; L450-L496 HydrophobicContact CD2-CD2 4.34Å; T492-L496 VanDerWaalsContact O-CB 3.3Å; T492-L496 WeakPolarHBondContact O-CB 3.43Å; T492-L496 PolarHBondContact O-N 3.42Å; G493-L496 WeakPolarHBondContact O-CB 3.37Å; G493-L496 PolarHBondContact O-N 2.87Å; L496-L498 VanDerWaalsContact C-N 3.34Å; L496-I499 PolarHBondContact O-N 3.46Å; L496-T500 HydrophobicContact CD1-CG2 4.01Å; L496-T500 HydrophobicContact CG-CG2 4.46Å; L496-T500 WeakPolarHBondContact O-CB 3.28Å; L496-T500 WeakPolarHBondContact O-CG2 3.37Å; L496-T500 PolarHBondContact O-N 3.35Å; L496-T500 PolarHBondContact O-OG1 3.1Å |
| 497 | D | 91.6 | Very high | 91.7 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66 | -36.9 | 176 | -65.2 | -18.5 | 0 | 0 | 0 | 111.9 | I440 R442 G493 A494 L495 R501 | I440-D497 WeakPolarHBondContact CG2-OD1 3.41Å; R442-D497 IonicContact CZ-OD1 3.34Å; R442-D497 VanDerWaalsContact CZ-OD1 3.29Å; R442-D497 IonicContact CZ-OD2 3.93Å; R442-D497 IonicContact NE-OD1 3.7Å; R442-D497 PolarHBondContact NE-OD1 3.24Å; R442-D497 IonicContact NE-OD2 2.62Å; R442-D497 IonicContact NH2-OD1 2.78Å; R442-D497 PolarHBondContact NH2-OD1 2.9Å; R442-D497 IonicContact NH2-OD2 3.06Å; R442-D497 PolarHBondContact NH2-OD2 3Å; G493-D497 PolarHBondContact O-N 3.39Å; A494-D497 PolarHBondContact O-N 2.99Å; L495-D497 VanDerWaalsContact C-N 3.35Å; D497-R501 WeakPolarHBondContact O-CB 3.26Å; D497-R501 PolarHBondContact O-N 2.89Å; D497-R501 VanDerWaalsContact O-N 3.07Å |
| 498 | L | 90.2 | Very high | 91.2 | Very high | 29 Ų | 29 | 36.7 Ų | 36.7 | 15% | 0.152 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -49.3 | 172 | 174.8 | 65.2 | 0 | 0 | 0 | 110.8 | A494 L495 L496 R501 D544 | A494-L498 WeakPolarHBondContact O-CB 3.3Å; A494-L498 PolarHBondContact O-N 3.45Å; L495-L498 WeakPolarHBondContact O-CB 3.44Å; L495-L498 PolarHBondContact O-N 3.3Å; L496-L498 VanDerWaalsContact C-N 3.34Å; L498-R501 VanDerWaalsContact CD1-NH2 3.33Å; L498-R501 WeakPolarHBondContact O-CB 3.2Å; L498-R501 PolarHBondContact O-N 3.38Å; L498-D544 HydrophobicContact CD1-CB 4.34Å |
| 499 | I | 91 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.2 | -33.2 | -176.6 | -68.7 | 160.4 | 0 | 0 | 0 | 112.1 | V238 V239 L242 L495 L496 R504 L545 | V238-I499 HydrophobicContact CB-CD1 3.94Å; V238-I499 HydrophobicContact CG1-CD1 3.51Å; V238-I499 HydrophobicContact CG1-CG1 4.26Å; V239-I499 HydrophobicContact CB-CD1 4.47Å; V239-I499 HydrophobicContact CG2-CD1 3.51Å; L242-I499 HydrophobicContact CD1-CD1 4.38Å; L495-I499 WeakPolarHBondContact O-CD1 3.47Å; L495-I499 WeakPolarHBondContact O-CG1 3.4Å; L495-I499 PolarHBondContact O-N 3.37Å; L496-I499 PolarHBondContact O-N 3.46Å; I499-R504 WeakPolarHBondContact O-CD 3.31Å; I499-L545 HydrophobicContact CG1-CD2 4.37Å |
| 500 | T | 90.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 7.1 | -177.8 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | Y229 A231 H441 L496 T502 | Y229-T500 VanDerWaalsContact CD1-O 3.23Å; Y229-T500 WeakPolarHBondContact CD1-O 3.44Å; A231-T500 HydrophobicContact CB-CG2 3.94Å; H441-T500 WeakPolarHBondContact O-CB 3.1Å; H441-T500 WeakPolarHBondContact O-CG2 3.46Å; L496-T500 HydrophobicContact CD1-CG2 4.01Å; L496-T500 HydrophobicContact CG-CG2 4.46Å; L496-T500 WeakPolarHBondContact O-CB 3.28Å; L496-T500 WeakPolarHBondContact O-CG2 3.37Å; L496-T500 PolarHBondContact O-N 3.35Å; L496-T500 PolarHBondContact O-OG1 3.1Å; T500-T502 PolarHBondContact O-N 2.9Å |
| 501 | R | 87.4 | Confident | 87.8 | Confident | 153 Ų | 153 | 27.4 Ų | 27.4 | 58% | 0.577 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -61.4 | -33.5 | 176.8 | -170.4 | -177.7 | -61.7 | 143.9 | 1.4 | 112.6 | D497 L498 D544 | D497-R501 WeakPolarHBondContact O-CB 3.26Å; D497-R501 PolarHBondContact O-N 2.89Å; D497-R501 VanDerWaalsContact O-N 3.07Å; L498-R501 VanDerWaalsContact CD1-NH2 3.33Å; L498-R501 WeakPolarHBondContact O-CB 3.2Å; L498-R501 PolarHBondContact O-N 3.38Å; R501-D544 IonicContact NH1-OD2 2.97Å |
| 502 | T | 87 | Confident | 85.7 | Confident | 58 Ų | 58 | 33 Ų | 33 | 36% | 0.356 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -129.1 | 152.9 | 179.5 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | T500 | T500-T502 PolarHBondContact O-N 2.9Š|
| 503 | P | 90.6 | Very high | 83 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | trans | -58.4 | 139.4 | 170.1 | -22.3 | 33.7 | 0 | 0 | 0 | 110.7 | S226 Y229 Y508 | S226-P503 WeakPolarHBondContact O-CG 3.19Å; Y229-P503 HydrophobicContact CD1-CG 4.49Å; Y229-P503 HydrophobicContact CE1-CG 3.97Å; P503-Y508 HydrophobicContact CB-CD2 4.24Å; P503-Y508 HydrophobicContact CB-CE2 4.44Å; P503-Y508 HydrophobicContact CB-CG 4.34Å; P503-Y508 WeakPolarHBondContact O-CB 3.33Å | ||
| 504 | R | 91.5 | Very high | 80.3 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | trans | -111.3 | 22.4 | -177.9 | -61.7 | -174.3 | -61.5 | 129.7 | 6.2 | 112.4 | Y218 A220 A228 Y229 G230 I499 L509 | Y218-R504 WeakPolarHBondContact O-CD 3.49Å; Y218-R504 PolarHBondContact O-NH1 2.77Å; A220-R504 HydrophobicContact CB-CB 4.08Å; A220-R504 PolarHBondContact N-O 2.85Å; A228-R504 PolarHBondContact O-N 3.05Å; Y229-R504 VanDerWaalsContact O-CZ 3.23Å; Y229-R504 PolarHBondContact O-NE 3.45Å; Y229-R504 PolarHBondContact O-NH2 2.72Å; G230-R504 VanDerWaalsContact CA-NH2 3.34Å; G230-R504 PolarHBondContact O-NH2 3.09Å; I499-R504 WeakPolarHBondContact O-CD 3.31Å; R504-L509 HydrophobicContact CB-CD1 4.4Å; R504-L509 WeakPolarHBondContact O-CD1 3.1Å | ||
| 505 | S | 91.1 | Very high | 77.5 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -58.5 | 143.7 | 166.3 | -158.6 | 0 | 0 | 0 | 0 | 109.2 | A220 P225 Q507 Y508 L509 | A220-S505 WeakPolarHBondContact O-CA 3.35Å; P225-S505 WeakPolarHBondContact CB-OG 3.28Å; P225-S505 WeakPolarHBondContact O-CB 3.47Å; S505-Q507 PolarHBondContact O-N 3.33Å; S505-Q507 PolarHBondContact OG-OE1 2.97Å; S505-Y508 WeakPolarHBondContact O-CB 3.31Å; S505-Y508 PolarHBondContact O-N 3.36Å; S505-L509 PolarHBondContact O-N 3.14Å |
| 506 | A | 88.5 | Confident | 74.3 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.2 | -31.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | F273 Y508 L509 T510 L621 | F273-A506 HydrophobicContact CE2-CB 3.69Å; F273-A506 HydrophobicContact CZ-CB 4.46Å; A506-Y508 PolarHBondContact O-N 2.89Å; A506-L509 PolarHBondContact O-N 2.85Å; A506-T510 WeakPolarHBondContact O-CG2 3.39Å; A506-T510 PolarHBondContact O-N 3.23Å; A506-T510 VanDerWaalsContact O-N 3.15Å; A506-L621 HydrophobicContact CB-CD1 3.55Å |
| 507 | Q | 86.2 | Confident | 71.5 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -24.5 | 173.4 | -63.7 | 89.6 | -20.4 | 0 | 0 | 114.3 | Q49 S505 T510 L621 A625 | Q49-Q507 VanDerWaalsContact CD-NE2 3.27Å; Q49-Q507 VanDerWaalsContact NE2-NE2 3.13Å; S505-Q507 PolarHBondContact O-N 3.33Å; S505-Q507 PolarHBondContact OG-OE1 2.97Å; Q507-T510 PolarHBondContact O-OG1 3.38Å; Q507-L621 HydrophobicContact CG-CB 4.3Å; Q507-L621 HydrophobicContact CG-CD1 4.49Å; Q507-A625 HydrophobicContact CB-CB 4.16Å; Q507-A625 HydrophobicContact CG-CB 4.38Å |
| 508 | Y | 85.1 | Confident | 68.5 | Low | 37 Ų | 37 | 66.4 Ų | 66.4 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -92.6 | -16.8 | 176.9 | -74.8 | -91.5 | 0 | 0 | 0 | 113 | P225 S226 P503 S505 A506 A625 D626 | P225-Y508 HydrophobicContact CB-CE2 4.34Å; S226-Y508 WeakPolarHBondContact CB-OH 3.34Å; P503-Y508 HydrophobicContact CB-CD2 4.24Å; P503-Y508 HydrophobicContact CB-CE2 4.44Å; P503-Y508 HydrophobicContact CB-CG 4.34Å; P503-Y508 WeakPolarHBondContact O-CB 3.33Å; S505-Y508 WeakPolarHBondContact O-CB 3.31Å; S505-Y508 PolarHBondContact O-N 3.36Å; A506-Y508 PolarHBondContact O-N 2.89Å; Y508-A625 HydrophobicContact CE2-CB 4.25Å; Y508-A625 PolarHBondContact OH-O 3.34Å; Y508-D626 WeakPolarHBondContact CE1-OD1 3.4Å; Y508-D626 VanDerWaalsContact OH-CA 3.3Å; Y508-D626 WeakPolarHBondContact OH-CA 3.02Å; Y508-D626 PolarHBondContact OH-OD1 2.71Å |
| 509 | L | 84.6 | Confident | 65.6 | Low | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -93.8 | -16.4 | -177 | -60.8 | 172.9 | 0 | 0 | 0 | 111.9 | Y218 D219 R504 S505 A506 S511 I541 I542 | Y218-L509 HydrophobicContact CD2-CD1 3.91Å; Y218-L509 HydrophobicContact CD2-CD2 4.41Å; Y218-L509 HydrophobicContact CE2-CD1 3.71Å; Y218-L509 HydrophobicContact CE2-CD2 4.28Å; Y218-L509 HydrophobicContact CE2-CG 4.39Å; D219-L509 HydrophobicContact CB-CD1 3.82Å; R504-L509 HydrophobicContact CB-CD1 4.4Å; R504-L509 WeakPolarHBondContact O-CD1 3.1Å; S505-L509 PolarHBondContact O-N 3.14Å; A506-L509 PolarHBondContact O-N 2.85Å; L509-S511 PolarHBondContact O-N 3.26Å; L509-I541 HydrophobicContact CD2-CG2 3.25Å; L509-I542 HydrophobicContact CB-CD1 4.26Å; L509-I542 HydrophobicContact CD2-CG1 4.42Å |
| 510 | T | 68.6 | Low | 62.7 | Low | 35 Ų | 35 | 72.5 Ų | 72.5 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | trans | -76.4 | 83.2 | 176 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | N194 A506 Q507 L621 | N194-T510 WeakPolarHBondContact OD1-CG2 3.4Å; A506-T510 WeakPolarHBondContact O-CG2 3.39Å; A506-T510 PolarHBondContact O-N 3.23Å; A506-T510 VanDerWaalsContact O-N 3.15Å; Q507-T510 PolarHBondContact O-OG1 3.38Å; T510-L621 HydrophobicContact CG2-CD1 4.19Å | ||
| 511 | S | 56.3 | Low | 59.7 | Low | 41 Ų | 41 | 81.4 Ų | 81.4 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | trans | -96.3 | 142.6 | 165.6 | 61.5 | 0 | 0 | 0 | 0 | 110 | L509 W513 | L509-S511 PolarHBondContact O-N 3.26Å; S511-W513 PolarHBondContact O-N 2.74Å | ||
| 512 | K | 48.1 | Very low | 56.8 | Low | 160 Ų | 160 | 85 Ų | 85 | 70% | 0.696 | 42% | 0.415 | S | S | * | . | trans | -53.9 | 113.4 | 155.5 | -86.9 | -173.4 | 174.2 | -177.1 | 0 | 107.2 | N514 | K512-N514 PolarHBondContact O-N 2.76Š| ||
| 513 | W | 39.9 | Very low | 54 | Low | 74 Ų | 74 | 89 Ų | 89 | 28% | 0.28 | 43% | 0.433 | S | S | . | . | trans | -68.9 | 86.1 | 166.5 | -169 | -87.3 | 0 | 0 | 0 | 107.6 | L197 S511 T515 I542 E546 V558 | L197-W513 HydrophobicContact CD1-CE3 4.28Å; L197-W513 HydrophobicContact CD2-CE3 4.02Å; L197-W513 HydrophobicContact CD2-CZ3 4.37Å; S511-W513 PolarHBondContact O-N 2.74Å; W513-T515 PolarHBondContact O-N 2.81Å; W513-I542 HydrophobicContact CZ3-CG2 4.41Å; W513-E546 VanDerWaalsContact CH2-OE2 3.24Å; W513-E546 WeakPolarHBondContact CH2-OE2 3.16Å; W513-V558 HydrophobicContact CH2-CB 4.04Å; W513-V558 HydrophobicContact CH2-CG1 3.86Å; W513-V558 HydrophobicContact CH2-CG2 4.1Å; W513-V558 HydrophobicContact CZ2-CB 4.43Å; W513-V558 HydrophobicContact CZ3-CG1 3.98Å | ||
| 514 | N | 36.3 | Very low | 51 | Low | 118 Ų | 118 | 93.4 Ų | 93.4 | 63% | 0.631 | 46% | 0.461 | S | S | * | . | trans | -68.1 | 102.5 | 168.5 | -83.2 | -13.6 | 0 | 0 | 0 | 107.1 | K512 H516 | K512-N514 PolarHBondContact O-N 2.76Å; N514-H516 PolarHBondContact O-N 3.22Å | ||
| 515 | T | 33.9 | Very low | 48.2 | Very low | 112 Ų | 112 | 99.1 Ų | 99.1 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | trans | -59.5 | -6.8 | 174.7 | 43.3 | 0 | 0 | 0 | 0 | 113.8 | W513 Y517 | W513-T515 PolarHBondContact O-N 2.81Å; T515-Y517 VanDerWaalsContact C-N 3.34Å; T515-Y517 PolarHBondContact O-N 3.43Å; T515-Y517 VanDerWaalsContact O-N 3.11Å | ||
| 516 | H | 27.7 | Very low | 45.3 | Very low | 152 Ų | 152 | 104.7 Ų | 104.7 | 70% | 0.704 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 62.5 | 176.8 | -81.1 | -73.9 | 0 | 0 | 0 | 113 | N514 | N514-H516 PolarHBondContact O-N 3.22Š|
| 517 | Y | 34.8 | Very low | 42.4 | Very low | 149 Ų | 149 | 111.4 Ų | 111.4 | 58% | 0.584 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -14.3 | 164.9 | -124.7 | -95 | 0 | 0 | 0 | 113.6 | T515 A519 | T515-Y517 VanDerWaalsContact C-N 3.34Å; T515-Y517 PolarHBondContact O-N 3.43Å; T515-Y517 VanDerWaalsContact O-N 3.11Å; Y517-A519 PolarHBondContact O-N 2.91Å |
| 518 | K | 28.7 | Very low | 40.1 | Very low | 215 Ų | 215 | 116.5 Ų | 116.5 | 94% | 0.935 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -0.3 | 172.9 | -84.2 | -170.5 | 176.3 | 179.5 | 0 | 114.9 | ||
| 519 | A | 29.5 | Very low | 37.3 | Very low | 64 Ų | 64 | 124 Ų | 124 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.1 | -8.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y517 E521 | Y517-A519 PolarHBondContact O-N 2.91Å; A519-E521 VanDerWaalsContact C-N 3.34Å; A519-E521 PolarHBondContact O-N 3.26Å |
| 520 | V | 30.5 | Very low | 34.7 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -7.2 | -176 | -177.2 | 0 | 0 | 0 | 0 | 113 | R522 | V520-R522 PolarHBondContact O-N 3.08Š|
| 521 | E | 28 | Very low | 32.6 | Very low | 189 Ų | 189 | 137 Ų | 137 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 1.3 | 179.3 | -125 | 178.3 | -165.9 | 0 | 0 | 115.1 | A519 | A519-E521 VanDerWaalsContact C-N 3.34Å; A519-E521 PolarHBondContact O-N 3.26Å |
| 522 | R | 26.7 | Very low | 31.3 | Very low | 227 Ų | 227 | 138.1 Ų | 138.1 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -145.5 | 73.7 | 176 | -76.4 | -168.5 | -94.5 | -148.7 | -6.9 | 113.1 | V520 | V520-R522 PolarHBondContact O-N 3.08Š| ||
| 523 | I | 28 | Very low | 30.4 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | -129.9 | 106.4 | 155.8 | -54.7 | 178.3 | 0 | 0 | 0 | 107.9 | ||||
| 524 | P | 27.5 | Very low | 29.9 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | trans | -62.4 | 138 | 174.4 | -17 | 29.8 | 0 | 0 | 0 | 110.7 | T526 | P524-T526 PolarHBondContact O-N 3.14Š| ||
| 525 | S | 33.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -66.7 | 78.2 | -175.5 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 526 | T | 28.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | -154.1 | 76.3 | 164 | 52.6 | 0 | 0 | 0 | 0 | 111 | P524 | P524-T526 PolarHBondContact O-N 3.14Š| ||
| 527 | D | 28.9 | Very low | 30.3 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -154.6 | 106.9 | 155.3 | -102 | -29.6 | 0 | 0 | 0 | 111.4 | K529 | D527-K529 VanDerWaalsContact C-N 3.28Å; D527-K529 PolarHBondContact O-N 3.09Å | ||
| 528 | P | 37.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -88.8 | 32.7 | -174.6 | 34.7 | -33.1 | 0 | 0 | 0 | 113.7 | ||||
| 529 | K | 26.3 | Very low | 31.6 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | -121.1 | 50.1 | -178.9 | -73.5 | -170.4 | 179.8 | 177.8 | 0 | 114.1 | D527 | D527-K529 VanDerWaalsContact C-N 3.28Å; D527-K529 PolarHBondContact O-N 3.09Å | ||
| 530 | I | 30.2 | Very low | 33.7 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | trans | -109.6 | 71.8 | 160 | -54.1 | 179.8 | 0 | 0 | 0 | 107.6 | ||||
| 531 | N | 24 | Very low | 36.3 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 68% | 0.676 | S | S | * | * | trans | -89.7 | 108.1 | 167.6 | -102.6 | -8.8 | 0 | 0 | 0 | 108.1 | ||||
| 532 | G | 29 | Very low | 39.1 | Very low | 66 Ų | 66 | 117.1 Ų | 117.1 | 68% | 0.68 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 79 | 126.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 533 | K | 29.6 | Very low | 42 | Very low | 204 Ų | 204 | 109.5 Ų | 109.5 | 89% | 0.887 | 61% | 0.607 | S | S | * | * | trans | 76.7 | 70.5 | 172.5 | -54.7 | -178.5 | 179.2 | 179.3 | 0 | 115.4 | ||||
| 534 | D | 28.3 | Very low | 45 | Very low | 118 Ų | 118 | 104.4 Ų | 104.4 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | trans | -146.3 | 100.6 | 144.4 | -130.9 | 12.8 | 0 | 0 | 0 | 108.6 | S536 | D534-S536 VanDerWaalsContact CB-OG 3.24Å; D534-S536 WeakPolarHBondContact CB-OG 3.44Å; D534-S536 PolarHBondContact O-N 2.71Å; D534-S536 WeakPolarHBondContact OD2-CB 3.48Å; D534-S536 PolarHBondContact OD2-OG 2.87Å | ||
| 535 | P | 34.1 | Very low | 48.1 | Very low | 110 Ų | 110 | 99.3 Ų | 99.3 | 71% | 0.714 | 55% | 0.548 | S | S | * | . | trans | -72 | 26.1 | 168.5 | 31.5 | -31.2 | 0 | 0 | 0 | 111.2 | N537 | P535-N537 VanDerWaalsContact C-N 3.26Å; P535-N537 PolarHBondContact O-N 3.48Å | ||
| 536 | S | 36.1 | Very low | 50.9 | Low | 74 Ų | 74 | 96.2 Ų | 96.2 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 2.9 | -172.6 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | D534 | D534-S536 VanDerWaalsContact CB-OG 3.24Å; D534-S536 WeakPolarHBondContact CB-OG 3.44Å; D534-S536 PolarHBondContact O-N 2.71Å; D534-S536 WeakPolarHBondContact OD2-CB 3.48Å; D534-S536 PolarHBondContact OD2-OG 2.87Å |
| 537 | N | 37 | Very low | 54 | Low | 137 Ų | 137 | 97.6 Ų | 97.6 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 25.8 | 172.5 | -97 | 2.8 | 0 | 0 | 0 | 114 | P535 T539 | P535-N537 VanDerWaalsContact C-N 3.26Å; P535-N537 PolarHBondContact O-N 3.48Å; N537-T539 PolarHBondContact O-N 2.93Å |
| 538 | R | 42.3 | Very low | 57.1 | Low | 144 Ų | 144 | 93.1 Ų | 93.1 | 54% | 0.543 | 49% | 0.486 | S | S | . | . | trans | -64.4 | 88.8 | 153.6 | -73.1 | -174.1 | 178.8 | -171.6 | 1 | 106.5 | S540 D626 | R538-S540 PolarHBondContact O-N 2.88Å; R538-D626 IonicContact CZ-OD1 3.18Å; R538-D626 IonicContact NH1-OD1 3.1Å; R538-D626 VanDerWaalsContact NH2-CG 3.3Å; R538-D626 IonicContact NH2-OD1 3.4Å; R538-D626 PolarHBondContact NH2-OD1 3.32Å; R538-D626 IonicContact NH2-OD2 3.31Å; R538-D626 PolarHBondContact NH2-OD2 2.99Å | ||
| 539 | T | 47.6 | Very low | 59.8 | Low | 81 Ų | 81 | 87.1 Ų | 87.1 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | trans | -54.3 | 95.6 | 160.4 | 47.3 | 0 | 0 | 0 | 0 | 105.7 | N537 I541 | N537-T539 PolarHBondContact O-N 2.93Å; T539-I541 PolarHBondContact O-N 3.02Å | ||
| 540 | S | 73.4 | Confident | 63.1 | Low | 11 Ų | 11 | 80.4 Ų | 80.4 | 8% | 0.077 | 42% | 0.424 | C | S | . | . | trans | -54.6 | 130.8 | 179 | 178.3 | 0 | 0 | 0 | 0 | 106.5 | R538 I542 K543 D544 | R538-S540 PolarHBondContact O-N 2.88Å; S540-I542 PolarHBondContact O-N 2.9Å; S540-I542 WeakPolarHBondContact OG-CG1 3.37Å; S540-K543 WeakPolarHBondContact O-CA 2.94Å; S540-K543 WeakPolarHBondContact O-CB 3.35Å; S540-K543 PolarHBondContact O-N 3.39Å; S540-D544 PolarHBondContact O-N 2.98Å | ||
| 541 | I | 85.6 | Confident | 66.1 | Low | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -48.8 | -27.7 | 175.3 | -178.9 | 61 | 0 | 0 | 0 | 111.3 | L509 T539 K543 D544 L545 | L509-I541 HydrophobicContact CD2-CG2 3.25Å; T539-I541 PolarHBondContact O-N 3.02Å; I541-K543 PolarHBondContact O-N 2.54Å; I541-D544 HydrophobicContact CD1-CB 4.34Å; I541-D544 PolarHBondContact O-N 2.87Å; I541-L545 HydrophobicContact CG1-CD1 4.24Å; I541-L545 HydrophobicContact CG1-CG 4.3Å; I541-L545 WeakPolarHBondContact O-CB 3.35Å; I541-L545 WeakPolarHBondContact O-CG 3.45Å; I541-L545 PolarHBondContact O-N 3.43Å |
| 542 | I | 87.7 | Confident | 69.4 | Low | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 173.9 | -55.3 | 176.2 | 0 | 0 | 0 | 112 | L197 I199 Y218 L509 W513 S540 L545 E546 | L197-I542 HydrophobicContact CB-CD1 4.18Å; L197-I542 HydrophobicContact CB-CG2 4.19Å; L197-I542 HydrophobicContact CD1-CD1 3.5Å; L197-I542 VanDerWaalsContact CD1-CD1 3.5Å; L197-I542 HydrophobicContact CD1-CG2 4.19Å; L197-I542 HydrophobicContact CG-CD1 4.44Å; I199-I542 HydrophobicContact CD1-CG2 4Å; I199-I542 WeakPolarHBondContact CD1-O 3.42Å; I199-I542 HydrophobicContact CG1-CG2 4.36Å; Y218-I542 HydrophobicContact CE2-CD1 3.97Å; Y218-I542 HydrophobicContact CE2-CG1 3.89Å; L509-I542 HydrophobicContact CB-CD1 4.26Å; L509-I542 HydrophobicContact CD2-CG1 4.42Å; W513-I542 HydrophobicContact CZ3-CG2 4.41Å; S540-I542 PolarHBondContact O-N 2.9Å; S540-I542 WeakPolarHBondContact OG-CG1 3.37Å; I542-L545 PolarHBondContact O-N 3.33Å; I542-E546 WeakPolarHBondContact O-CB 3.48Å; I542-E546 PolarHBondContact O-N 3.06Å |
| 543 | K | 86.9 | Confident | 72.4 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 175.1 | -68.4 | -173.3 | 175.9 | -174.1 | 0 | 111.6 | S540 I541 L545 E546 Y547 | S540-K543 WeakPolarHBondContact O-CA 2.94Å; S540-K543 WeakPolarHBondContact O-CB 3.35Å; S540-K543 PolarHBondContact O-N 3.39Å; I541-K543 PolarHBondContact O-N 2.54Å; K543-L545 VanDerWaalsContact C-N 3.31Å; K543-E546 PolarHBondContact O-N 3.18Å; K543-Y547 WeakPolarHBondContact O-CB 3.43Å; K543-Y547 PolarHBondContact O-N 2.69Å |
| 544 | D | 90.2 | Very high | 75 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 176.5 | -68.1 | -2.9 | 0 | 0 | 0 | 110.4 | L498 R501 S540 I541 Y548 | L498-D544 HydrophobicContact CD1-CB 4.34Å; R501-D544 IonicContact NH1-OD2 2.97Å; S540-D544 PolarHBondContact O-N 2.98Å; I541-D544 HydrophobicContact CD1-CB 4.34Å; I541-D544 PolarHBondContact O-N 2.87Å; D544-Y548 VanDerWaalsContact O-CB 3.22Å; D544-Y548 WeakPolarHBondContact O-CB 3.35Å; D544-Y548 PolarHBondContact O-N 2.98Å |
| 545 | L | 93.5 | Very high | 78 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 175.7 | -69.6 | 172.6 | 0 | 0 | 0 | 112.4 | I199 Y218 V238 L242 L267 I499 I541 I542 K543 Y548 L549 | I199-L545 HydrophobicContact CD1-CB 3.63Å; Y218-L545 HydrophobicContact CG-CD1 4.29Å; V238-L545 HydrophobicContact CG1-CD2 3.8Å; L242-L545 HydrophobicContact CD1-CD2 3.72Å; L267-L545 HydrophobicContact CD1-CB 4.26Å; L267-L545 HydrophobicContact CD1-CD1 4.42Å; L267-L545 HydrophobicContact CD1-CD2 4.38Å; I499-L545 HydrophobicContact CG1-CD2 4.37Å; I541-L545 HydrophobicContact CG1-CD1 4.24Å; I541-L545 HydrophobicContact CG1-CG 4.3Å; I541-L545 WeakPolarHBondContact O-CB 3.35Å; I541-L545 WeakPolarHBondContact O-CG 3.45Å; I541-L545 PolarHBondContact O-N 3.43Å; I542-L545 PolarHBondContact O-N 3.33Å; K543-L545 VanDerWaalsContact C-N 3.31Å; L545-Y548 PolarHBondContact O-N 2.88Å; L545-L549 WeakPolarHBondContact O-CB 3.17Å; L545-L549 PolarHBondContact O-N 3.46Å |
| 546 | E | 92.7 | Very high | 80.9 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.3 | -51.1 | 175.1 | 175.1 | -167.3 | -163.6 | 0 | 0 | 110.3 | I199 W513 I542 K543 Y548 L549 S550 V558 | I199-E546 HydrophobicContact CD1-CB 4.27Å; W513-E546 VanDerWaalsContact CH2-OE2 3.24Å; W513-E546 WeakPolarHBondContact CH2-OE2 3.16Å; I542-E546 WeakPolarHBondContact O-CB 3.48Å; I542-E546 PolarHBondContact O-N 3.06Å; K543-E546 PolarHBondContact O-N 3.18Å; E546-Y548 PolarHBondContact O-N 3.14Å; E546-L549 PolarHBondContact O-N 2.81Å; E546-S550 WeakPolarHBondContact O-CB 3.21Å; E546-S550 PolarHBondContact O-N 3.36Å; E546-S550 PolarHBondContact O-OG 3.41Å; E546-V558 HydrophobicContact CB-CG2 4.08Å; E546-V558 HydrophobicContact CG-CG2 3.65Å |
| 547 | Y | 92.6 | Very high | 83.6 | Confident | 147 Ų | 147 | 60.8 Ų | 60.8 | 58% | 0.576 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.2 | -51.5 | 178.5 | 178.6 | -104.5 | 0 | 0 | 0 | 110.3 | K543 L549 S550 Q551 | K543-Y547 WeakPolarHBondContact O-CB 3.43Å; K543-Y547 PolarHBondContact O-N 2.69Å; Y547-L549 PolarHBondContact O-N 3.15Å; Y547-S550 PolarHBondContact O-N 3.41Å; Y547-S550 PolarHBondContact O-OG 2.78Å; Y547-Q551 HydrophobicContact CE1-CG 4.16Å; Y547-Q551 HydrophobicContact CE2-CG 4.3Å; Y547-Q551 WeakPolarHBondContact O-CG 3.41Å; Y547-Q551 PolarHBondContact O-N 3.37Å; Y547-Q551 VanDerWaalsContact O-N 3.12Å |
| 548 | Y | 94.3 | Very high | 86.2 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 179.3 | -171.5 | -87.5 | 0 | 0 | 0 | 112.3 | L242 L495 D544 L545 E546 Q551 I552 | L242-Y548 HydrophobicContact CB-CD1 4.23Å; L242-Y548 HydrophobicContact CB-CE1 3.9Å; L242-Y548 HydrophobicContact CD1-CD1 4.08Å; L242-Y548 HydrophobicContact CD1-CE1 4.37Å; L242-Y548 HydrophobicContact CD2-CD1 3.96Å; L242-Y548 HydrophobicContact CD2-CE1 4.45Å; L242-Y548 HydrophobicContact CG-CD1 4.31Å; L242-Y548 HydrophobicContact CG-CE1 4.47Å; L495-Y548 HydrophobicContact CD2-CD2 4.36Å; L495-Y548 HydrophobicContact CD2-CE1 4.08Å; L495-Y548 HydrophobicContact CD2-CE2 3.78Å; D544-Y548 VanDerWaalsContact O-CB 3.22Å; D544-Y548 WeakPolarHBondContact O-CB 3.35Å; D544-Y548 PolarHBondContact O-N 2.98Å; L545-Y548 PolarHBondContact O-N 2.88Å; E546-Y548 PolarHBondContact O-N 3.14Å; Y548-Q551 PolarHBondContact O-N 3.46Å; Y548-I552 HydrophobicContact CD1-CD1 3.6Å; Y548-I552 HydrophobicContact CE1-CD1 3.13Å; Y548-I552 HydrophobicContact CG-CD1 4.45Å; Y548-I552 WeakPolarHBondContact O-CD1 3.33Å |
| 549 | L | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 179.9 | -166.8 | 63.9 | 0 | 0 | 0 | 111.7 | I199 L242 A245 F265 L545 E546 Y547 Q551 I552 V553 V556 | I199-L549 HydrophobicContact CG2-CD2 3.85Å; L242-L549 HydrophobicContact CD2-CD1 4.35Å; A245-L549 HydrophobicContact CB-CD1 3.86Å; F265-L549 HydrophobicContact CB-CD1 4.36Å; L545-L549 WeakPolarHBondContact O-CB 3.17Å; L545-L549 PolarHBondContact O-N 3.46Å; E546-L549 PolarHBondContact O-N 2.81Å; Y547-L549 PolarHBondContact O-N 3.15Å; L549-Q551 VanDerWaalsContact C-N 3.27Å; L549-Q551 PolarHBondContact O-N 3.11Å; L549-I552 PolarHBondContact O-N 3.47Å; L549-V553 HydrophobicContact CD1-CG2 3.85Å; L549-V553 HydrophobicContact CG-CG2 4.33Å; L549-V553 PolarHBondContact O-N 3.19Å; L549-V556 HydrophobicContact CB-CG2 4.38Å; L549-V556 HydrophobicContact CD2-CG1 4.28Å; L549-V556 HydrophobicContact CD2-CG2 4.32Å; L549-V556 HydrophobicContact CG-CG2 4Å |
| 550 | S | 94.9 | Very high | 90.4 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 36% | 0.357 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.5 | -22.5 | 177.7 | 71.7 | 0 | 0 | 0 | 0 | 114.1 | E546 Y547 I552 | E546-S550 WeakPolarHBondContact O-CB 3.21Å; E546-S550 PolarHBondContact O-N 3.36Å; E546-S550 PolarHBondContact O-OG 3.41Å; Y547-S550 PolarHBondContact O-N 3.41Å; Y547-S550 PolarHBondContact O-OG 2.78Å; S550-I552 PolarHBondContact O-N 3.18Å |
| 551 | Q | 94.1 | Very high | 90.9 | Very high | 126 Ų | 126 | 51.1 Ų | 51.1 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.3 | 172.2 | -66 | -48.6 | -72.5 | 0 | 0 | 112.9 | Y547 Y548 L549 | Y547-Q551 HydrophobicContact CE1-CG 4.16Å; Y547-Q551 HydrophobicContact CE2-CG 4.3Å; Y547-Q551 WeakPolarHBondContact O-CG 3.41Å; Y547-Q551 PolarHBondContact O-N 3.37Å; Y547-Q551 VanDerWaalsContact O-N 3.12Å; Y548-Q551 PolarHBondContact O-N 3.46Å; L549-Q551 VanDerWaalsContact C-N 3.27Å; L549-Q551 PolarHBondContact O-N 3.11Å |
| 552 | I | 93 | Very high | 90.7 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -37.3 | -170.5 | -65.4 | 168.4 | 0 | 0 | 0 | 111.3 | A245 R246 S249 Y548 L549 S550 | A245-I552 HydrophobicContact CB-CG2 4.37Å; A245-I552 WeakPolarHBondContact O-CG2 3.44Å; R246-I552 VanDerWaalsContact CA-CG2 3.46Å; R246-I552 HydrophobicContact CB-CD1 3.96Å; R246-I552 HydrophobicContact CB-CG2 4.38Å; R246-I552 HydrophobicContact CG-CD1 4.18Å; S249-I552 VanDerWaalsContact CB-O 3.23Å; S249-I552 WeakPolarHBondContact CB-O 3.42Å; S249-I552 PolarHBondContact OG-O 3.28Å; Y548-I552 HydrophobicContact CD1-CD1 3.6Å; Y548-I552 HydrophobicContact CE1-CD1 3.13Å; Y548-I552 HydrophobicContact CG-CD1 4.45Å; Y548-I552 WeakPolarHBondContact O-CD1 3.33Å; L549-I552 PolarHBondContact O-N 3.47Å; S550-I552 PolarHBondContact O-N 3.18Å |
| 553 | V | 92.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | trans | -116.3 | 137.4 | -173.3 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | R202 L203 A245 F265 L549 D555 V556 | R202-V553 VanDerWaalsContact C-CG1 3.41Å; R202-V553 WeakPolarHBondContact O-CG1 3.29Å; L203-V553 HydrophobicContact CB-CG1 4.19Å; A245-V553 HydrophobicContact CB-CG2 4.32Å; F265-V553 HydrophobicContact CD2-CG2 4.15Å; F265-V553 HydrophobicContact CE2-CG2 4.4Å; L549-V553 HydrophobicContact CD1-CG2 3.85Å; L549-V553 HydrophobicContact CG-CG2 4.33Å; L549-V553 PolarHBondContact O-N 3.19Å; V553-D555 PolarHBondContact O-N 2.72Å; V553-V556 HydrophobicContact CB-CG2 4.14Å | ||
| 554 | D | 84.1 | Confident | 89.8 | Confident | 149 Ų | 149 | 50.6 Ų | 50.6 | 80% | 0.797 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -66.3 | -37 | -171.2 | -60.3 | -38.2 | 0 | 0 | 0 | 113.5 | ||
| 555 | D | 91.5 | Very high | 88.5 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 106.4 | -174.4 | -174.6 | 43.5 | 0 | 0 | 0 | 110.3 | G201 R202 V553 H557 | G201-D555 CarbonylContact C-O 3.53Å; G201-D555 VanDerWaalsContact CA-O 3.31Å; G201-D555 WeakPolarHBondContact CA-O 3.34Å; R202-D555 HydrophobicContact CB-CB 4.26Å; R202-D555 PolarHBondContact N-O 3.03Å; V553-D555 PolarHBondContact O-N 2.72Å; D555-H557 IonicContact OD1-CD2 2.7Å; D555-H557 IonicContact OD1-CE1 3.87Å; D555-H557 PolarHBondContact OD1-CE1 2.79Å; D555-H557 IonicContact OD1-NE2 2.81Å; D555-H557 PolarHBondContact OD1-NE2 3.2Å; D555-H557 IonicContact OD2-CD2 2.76Å; D555-H557 IonicContact OD2-NE2 2.86Å; D555-H557 PolarHBondContact OD2-NE2 3.09Å; D555-H557 VanDerWaalsContact OD2-NE2 3.1Å |
| 556 | V | 95.2 | Very high | 86.5 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.5 | -179.2 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | I199 E200 L549 V553 | I199-V556 HydrophobicContact CG2-CG1 3.79Å; E200-V556 CarbonylContact O-C 3.59Å; E200-V556 VanDerWaalsContact O-CA 3.28Å; E200-V556 WeakPolarHBondContact O-CA 3.06Å; L549-V556 HydrophobicContact CB-CG2 4.38Å; L549-V556 HydrophobicContact CD2-CG1 4.28Å; L549-V556 HydrophobicContact CD2-CG2 4.32Å; L549-V556 HydrophobicContact CG-CG2 4Å; V553-V556 HydrophobicContact CB-CG2 4.14Å |
| 557 | H | 92 | Very high | 84.2 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 40% | 0.398 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137 | 177.9 | -63.1 | -72 | 0 | 0 | 0 | 110.6 | I199 E200 D555 | I199-H557 WeakPolarHBondContact CA-O 3.13Å; E200-H557 PolarHBondContact N-O 2.82Å; E200-H557 PolarHBondContact O-N 3.22Å; D555-H557 IonicContact OD1-CD2 2.7Å; D555-H557 IonicContact OD1-CE1 3.87Å; D555-H557 PolarHBondContact OD1-CE1 2.79Å; D555-H557 IonicContact OD1-NE2 2.81Å; D555-H557 PolarHBondContact OD1-NE2 3.2Å; D555-H557 IonicContact OD2-CD2 2.76Å; D555-H557 IonicContact OD2-NE2 2.86Å; D555-H557 PolarHBondContact OD2-NE2 3.09Å; D555-H557 VanDerWaalsContact OD2-NE2 3.1Å |
| 558 | V | 91.7 | Very high | 81.5 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 21% | 0.212 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.3 | 169.9 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | L197 N198 I199 W513 E546 | L197-V558 HydrophobicContact CB-CG1 4.29Å; L197-V558 HydrophobicContact CD2-CG1 3.74Å; N198-V558 CarbonylContact O-C 3.51Å; N198-V558 WeakPolarHBondContact O-CA 3.3Å; I199-V558 HydrophobicContact CG1-CG1 4.49Å; I199-V558 HydrophobicContact CG1-CG2 4.14Å; I199-V558 HydrophobicContact CG2-CG2 4.22Å; W513-V558 HydrophobicContact CH2-CB 4.04Å; W513-V558 HydrophobicContact CH2-CG1 3.86Å; W513-V558 HydrophobicContact CH2-CG2 4.1Å; W513-V558 HydrophobicContact CZ2-CB 4.43Å; W513-V558 HydrophobicContact CZ3-CG1 3.98Å; E546-V558 HydrophobicContact CB-CG2 4.08Å; E546-V558 HydrophobicContact CG-CG2 3.65Å |
| 559 | V | 89.6 | Confident | 78.6 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.1 | 179.1 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | L197 N198 Y561 | L197-V559 CarbonylContact C-O 3.58Å; L197-V559 WeakPolarHBondContact CA-O 3.23Å; N198-V559 PolarHBondContact N-O 2.94Å; N198-V559 PolarHBondContact O-N 3.45Å; V559-Y561 HydrophobicContact CB-CE2 3.96Å; V559-Y561 HydrophobicContact CG1-CE1 3.81Å; V559-Y561 HydrophobicContact CG1-CE2 3.87Å; V559-Y561 VanDerWaalsContact CG1-CZ 3.45Å; V559-Y561 WeakPolarHBondContact CG1-OH 3.42Å |
| 560 | Q | 87.6 | Confident | 75.4 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.6 | -179.2 | -172.2 | -178.5 | -49.9 | 0 | 0 | 110.6 | Y195 L197 | Y195-Q560 HydrophobicContact CD1-CG 3.77Å; Y195-Q560 VanDerWaalsContact CE2-NE2 3.29Å; Y195-Q560 HydrophobicContact CG-CG 3.72Å; L197-Q560 HydrophobicContact CD2-CB 3.71Å; L197-Q560 HydrophobicContact CD2-CG 3.94Å; L197-Q560 HydrophobicContact CG-CG 4.46Å |
| 561 | Y | 85.1 | Confident | 72.2 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.8 | 176.1 | -48.6 | -86.6 | 0 | 0 | 0 | 111 | Y195 V196 N198 R280 Q284 V559 | Y195-Y561 CarbonylContact C-O 3.57Å; Y195-Y561 WeakPolarHBondContact CA-O 3.45Å; Y195-Y561 WeakPolarHBondContact CB-O 3.24Å; V196-Y561 HydrophobicContact CG1-CD2 4.19Å; V196-Y561 HydrophobicContact CG1-CG 4.43Å; V196-Y561 PolarHBondContact N-O 3.38Å; V196-Y561 PolarHBondContact O-N 3.45Å; N198-Y561 HydrophobicContact CB-CE2 4.06Å; N198-Y561 WeakPolarHBondContact ND2-CE2 3.47Å; R280-Y561 HydrophobicContact CB-CD1 3.6Å; R280-Y561 HydrophobicContact CB-CD2 3.91Å; R280-Y561 HydrophobicContact CB-CE1 3.95Å; R280-Y561 HydrophobicContact CB-CE2 4.27Å; R280-Y561 HydrophobicContact CB-CG 3.54Å; R280-Y561 HydrophobicContact CG-CD1 4.31Å; R280-Y561 HydrophobicContact CG-CG 4.05Å; Q284-Y561 HydrophobicContact CB-CE1 4.24Å; Q284-Y561 PolarHBondContact OE1-OH 3.02Å; V559-Y561 HydrophobicContact CB-CE2 3.96Å; V559-Y561 HydrophobicContact CG1-CE1 3.81Å; V559-Y561 HydrophobicContact CG1-CE2 3.87Å; V559-Y561 VanDerWaalsContact CG1-CZ 3.45Å; V559-Y561 WeakPolarHBondContact CG1-OH 3.42Å |
| 562 | S | 81.6 | Confident | 68.9 | Low | 34 Ų | 34 | 66.9 Ų | 66.9 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 134.3 | 171.2 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | N564 | S562-N564 VanDerWaalsContact C-N 3.34Å; S562-N564 PolarHBondContact OG-N 3.34Å; S562-N564 VanDerWaalsContact OG-N 3.09Å; S562-N564 PolarHBondContact OG-O 2.96Å |
| 563 | L | 78.1 | Confident | 65.7 | Low | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.026 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -77.2 | -25.3 | 165.6 | -87.9 | 83.4 | 0 | 0 | 0 | 111.9 | N194 Y195 V196 V619 L621 | N194-L563 HydrophobicContact CB-CB 4.44Å; N194-L563 PolarHBondContact O-N 3.19Å; Y195-L563 WeakPolarHBondContact O-CD1 3.08Å; V196-L563 HydrophobicContact CB-CD1 3.49Å; V196-L563 VanDerWaalsContact CB-CD1 3.49Å; V196-L563 HydrophobicContact CB-CG 4.33Å; V196-L563 HydrophobicContact CG1-CD1 4.07Å; L563-V619 HydrophobicContact CB-CB 4.23Å; L563-V619 HydrophobicContact CD2-CB 3.95Å; L563-V619 HydrophobicContact CD2-CG1 4.02Å; L563-V619 HydrophobicContact CG-CB 4.47Å; L563-V619 PolarHBondContact O-N 3.49Å; L563-V619 VanDerWaalsContact O-N 3.14Å; L563-L621 HydrophobicContact CD2-CD1 4.2Å |
| 564 | N | 76.2 | Confident | 62.3 | Low | 22 Ų | 22 | 80.8 Ų | 80.8 | 12% | 0.118 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -89.1 | 145 | -176.9 | -59.5 | 10.7 | 0 | 0 | 0 | 109.8 | S562 E566 D618 V619 | S562-N564 VanDerWaalsContact C-N 3.34Å; S562-N564 PolarHBondContact OG-N 3.34Å; S562-N564 VanDerWaalsContact OG-N 3.09Å; S562-N564 PolarHBondContact OG-O 2.96Å; N564-E566 PolarHBondContact O-N 3.33Å; N564-D618 VanDerWaalsContact CA-OD1 3.29Å; N564-D618 WeakPolarHBondContact CA-OD1 3.42Å; N564-V619 PolarHBondContact OD1-O 3.48Å |
| 565 | D | 64.3 | Low | 59.5 | Low | 33 Ų | 33 | 78.3 Ų | 78.3 | 18% | 0.176 | 44% | 0.438 | C | S | . | . | trans | -72.1 | 117.5 | 167 | -167.5 | -12.8 | 0 | 0 | 0 | 109.8 | T567 T568 E616 D618 | D565-T567 PolarHBondContact O-N 3.27Å; D565-T567 WeakPolarHBondContact OD1-CB 3.44Å; D565-T567 WeakPolarHBondContact OD1-CG2 3.1Å; D565-T567 PolarHBondContact OD1-N 3.12Å; D565-T567 PolarHBondContact OD1-OG1 3.34Å; D565-T567 PolarHBondContact OD2-OG1 2.94Å; D565-T568 HydrophobicContact CB-CG2 4.38Å; D565-T568 PolarHBondContact O-N 2.75Å; D565-T568 PolarHBondContact O-OG1 3.43Å; D565-E616 HydrophobicContact CB-CG 4.43Å; D565-D618 HydrophobicContact CB-CB 4.19Å; D565-D618 PolarHBondContact N-OD1 2.81Å | ||
| 566 | E | 49.7 | Very low | 56.2 | Low | 161 Ų | 161 | 81 Ų | 81 | 75% | 0.752 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -62.2 | -21.7 | 177.8 | -68.7 | -169.7 | 161.2 | 0 | 0 | 112.2 | N564 T568 K569 | N564-E566 PolarHBondContact O-N 3.33Å; E566-T568 VanDerWaalsContact C-N 3.3Å; E566-T568 PolarHBondContact O-N 3.32Å; E566-K569 PolarHBondContact O-N 3.08Å |
| 567 | T | 44.6 | Very low | 53 | Low | 87 Ų | 87 | 85.2 Ų | 85.2 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -66.9 | -29.5 | -178.6 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | D565 K569 S570 | D565-T567 PolarHBondContact O-N 3.27Å; D565-T567 WeakPolarHBondContact OD1-CB 3.44Å; D565-T567 WeakPolarHBondContact OD1-CG2 3.1Å; D565-T567 PolarHBondContact OD1-N 3.12Å; D565-T567 PolarHBondContact OD1-OG1 3.34Å; D565-T567 PolarHBondContact OD2-OG1 2.94Å; T567-K569 VanDerWaalsContact C-N 3.28Å; T567-K569 PolarHBondContact O-N 2.76Å; T567-S570 PolarHBondContact O-N 2.88Å; T567-S570 VanDerWaalsContact O-N 3.13Å; T567-S570 PolarHBondContact O-OG 2.85Å |
| 568 | T | 36.7 | Very low | 49.7 | Very low | 88 Ų | 88 | 88.5 Ų | 88.5 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -69.3 | -20.6 | -179.3 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | D565 E566 S570 | D565-T568 HydrophobicContact CB-CG2 4.38Å; D565-T568 PolarHBondContact O-N 2.75Å; D565-T568 PolarHBondContact O-OG1 3.43Å; E566-T568 VanDerWaalsContact C-N 3.3Å; E566-T568 PolarHBondContact O-N 3.32Å; T568-S570 VanDerWaalsContact C-N 3.32Å |
| 569 | K | 32.9 | Very low | 46.6 | Very low | 141 Ų | 141 | 96 Ų | 96 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -80 | -9.8 | 173.9 | -74.5 | -177.9 | -178.7 | 170.1 | 0 | 113.6 | A192 E566 T567 | A192-K569 PolarHBondContact O-NZ 3.44Å; E566-K569 PolarHBondContact O-N 3.08Å; T567-K569 VanDerWaalsContact C-N 3.28Å; T567-K569 PolarHBondContact O-N 2.76Å |
| 570 | S | 28.4 | Very low | 43.3 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 67% | 0.671 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -87 | -7.1 | -178.4 | 70.8 | 0 | 0 | 0 | 0 | 114.7 | T567 T568 | T567-S570 PolarHBondContact O-N 2.88Å; T567-S570 VanDerWaalsContact O-N 3.13Å; T567-S570 PolarHBondContact O-OG 2.85Å; T568-S570 VanDerWaalsContact C-N 3.32Å |
| 571 | G | 27.2 | Very low | 40.4 | Very low | 61 Ų | 61 | 107.4 Ų | 107.4 | 63% | 0.629 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -25.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 572 | D | 25.2 | Very low | 37.5 | Very low | 154 Ų | 154 | 111.2 Ų | 111.2 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 33.4 | -171.1 | -85.5 | -12 | 0 | 0 | 0 | 114.1 | ||
| 573 | K | 25.6 | Very low | 34.7 | Very low | 186 Ų | 186 | 114.8 Ų | 114.8 | 81% | 0.809 | 65% | 0.653 | S | S | * | * | trans | -101.7 | 73.3 | 161.7 | -74.8 | -171.8 | -179.1 | 176.8 | 0 | 110.8 | S575 | K573-S575 VanDerWaalsContact C-N 3.35Å; K573-S575 PolarHBondContact O-N 3.26Å | ||
| 574 | T | 20.9 | Very low | 32 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -64.5 | 94.2 | 152.7 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 575 | S | 24.7 | Very low | 29.5 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | 179.8 | 99.4 | 144.7 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | K573 | K573-S575 VanDerWaalsContact C-N 3.35Å; K573-S575 PolarHBondContact O-N 3.26Å | ||
| 576 | S | 23.6 | Very low | 27.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | 34.9 | 105.1 | 130.4 | 61.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 577 | S | 26.5 | Very low | 26.1 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -151.3 | 106 | 133.4 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 578 | N | 22.6 | Very low | 25 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -58.1 | 130.4 | 164.3 | -74.4 | -41.9 | 0 | 0 | 0 | 109.7 | ||||
| 579 | H | 28 | Very low | 24.2 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -145.1 | 111.5 | 139.5 | -97.8 | -67.3 | 0 | 0 | 0 | 110.5 | ||||
| 580 | R | 19.5 | Very low | 23.8 | Very low | 243 Ų | 243 | 136.2 Ų | 136.2 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -78.3 | 137.7 | 164.2 | -73.6 | 172.9 | 165.2 | 176.7 | -5 | 109.5 | ||||
| 581 | S | 28 | Very low | 24.2 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -167.5 | 100.6 | 143.1 | 44 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 582 | S | 23.2 | Very low | 24 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | 65.5 | 105.6 | 77.1 | 72.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 583 | S | 23.3 | Very low | 24 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 64.6 | 114.5 | 134 | 67 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 584 | S | 20.3 | Very low | 23.9 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 45.5 | 114 | 119.4 | 178.4 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 585 | S | 24.4 | Very low | 24.4 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -161.1 | 151 | 128.4 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 586 | R | 18 | Very low | 24.4 | Very low | 227 Ų | 227 | 138.2 Ų | 138.2 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -113 | 122.8 | -171 | 158.8 | -177 | 166 | 178.1 | -2 | 106.9 | ||||
| 587 | T | 25.3 | Very low | 24.8 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -142 | 101.4 | 169.6 | 40.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 588 | K | 21.1 | Very low | 24.8 | Very low | 177 Ų | 177 | 141 Ų | 141 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | 49.1 | 98.8 | 88.3 | -88 | -168.5 | 176.4 | -176.1 | 0 | 116 | |||||
| 589 | T | 19.1 | Very low | 24.9 | Very low | 140 Ų | 140 | 142 Ų | 142 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | 56.3 | 118.4 | 127.6 | 59 | 0 | 0 | 0 | 0 | 121 | |||||
| 590 | G | 25.2 | Very low | 25.1 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 170.4 | 132.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 591 | P | 35.8 | Very low | 25.6 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -106 | 152.5 | -161.4 | 38.5 | -30.1 | 0 | 0 | 0 | 114.4 | ||||
| 592 | H | 23.3 | Very low | 25.9 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | 163.7 | 138.2 | 127.2 | -96.1 | -74.7 | 0 | 0 | 0 | 113.2 | |||||
| 593 | S | 25.4 | Very low | 26.3 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 67.2 | 109 | 149.7 | 59.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 594 | D | 23.4 | Very low | 26.8 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | 55 | 92.5 | 125.6 | -58 | -14.7 | 0 | 0 | 0 | 118.7 | |||||
| 595 | S | 30.9 | Very low | 27.8 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | -145 | 119.5 | 128.8 | 48.2 | 0 | 0 | 0 | 0 | 108.7 | E597 | S595-E597 VanDerWaalsContact C-N 3.32Å; S595-E597 PolarHBondContact O-N 2.84Å | |||
| 596 | S | 26.3 | Very low | 28.9 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -62.5 | 90.6 | 172 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | T598 | S596-T598 VanDerWaalsContact C-N 3.31Å; S596-T598 PolarHBondContact O-N 3.46Å; S596-T598 VanDerWaalsContact O-N 3.09Å | ||
| 597 | E | 30.2 | Very low | 30.4 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -70.4 | 97 | 157.3 | -71.8 | -171.5 | 164.8 | 0 | 0 | 106.6 | S595 E599 | S595-E597 VanDerWaalsContact C-N 3.32Å; S595-E597 PolarHBondContact O-N 2.84Å; E597-E599 VanDerWaalsContact C-N 3.33Å; E597-E599 PolarHBondContact O-N 3.32Å | ||
| 598 | T | 27.3 | Very low | 31.7 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -53.8 | 99.8 | 165 | 29.7 | 0 | 0 | 0 | 0 | 108.4 | S596 F600 | S596-T598 VanDerWaalsContact C-N 3.31Å; S596-T598 PolarHBondContact O-N 3.46Å; S596-T598 VanDerWaalsContact O-N 3.09Å; T598-F600 PolarHBondContact O-N 2.81Å | ||
| 599 | E | 25.7 | Very low | 33.3 | Very low | 174 Ų | 174 | 123.6 Ų | 123.6 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | trans | -51.5 | 104.1 | 159.6 | -75 | 179.8 | 152.1 | 0 | 0 | 107.1 | E597 N601 | E597-E599 VanDerWaalsContact C-N 3.33Å; E597-E599 PolarHBondContact O-N 3.32Å; E599-N601 PolarHBondContact O-N 3.43Å | ||
| 600 | F | 31.5 | Very low | 35.2 | Very low | 199 Ų | 199 | 118.3 Ų | 118.3 | 87% | 0.873 | 68% | 0.679 | S | S | * | * | trans | -60.8 | 96.1 | 164.2 | -101.3 | -92.6 | 0 | 0 | 0 | 106.5 | T598 S602 | T598-F600 PolarHBondContact O-N 2.81Å; F600-S602 PolarHBondContact O-N 3.3Å | ||
| 601 | N | 30.4 | Very low | 36.7 | Very low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | trans | -52 | 104.6 | 166.1 | -84.4 | -34.3 | 0 | 0 | 0 | 107.5 | E599 I603 | E599-N601 PolarHBondContact O-N 3.43Å; N601-I603 PolarHBondContact O-N 2.86Å | ||
| 602 | S | 34 | Very low | 37.6 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 76% | 0.755 | 64% | 0.643 | S | S | * | * | trans | -61.8 | 106.1 | 169.3 | 40.5 | 0 | 0 | 0 | 0 | 107.3 | F600 P604 | F600-S602 PolarHBondContact O-N 3.3Å; S602-P604 VanDerWaalsContact O-CD 3.3Å; S602-P604 WeakPolarHBondContact O-CD 3.32Å | ||
| 603 | I | 31.7 | Very low | 39.3 | Very low | 154 Ų | 154 | 107 Ų | 107 | 79% | 0.79 | 61% | 0.606 | S | S | * | * | trans | -58.8 | 119.4 | 162.3 | -62 | 171.5 | 0 | 0 | 0 | 105.2 | N601 S605 | N601-I603 PolarHBondContact O-N 2.86Å; I603-S605 PolarHBondContact O-N 2.93Å | ||
| 604 | P | 34.3 | Very low | 41.2 | Very low | 121 Ų | 121 | 106 Ų | 106 | 79% | 0.786 | 60% | 0.599 | S | S | * | * | trans | -69.1 | 104.3 | -179.8 | -10.5 | 25 | 0 | 0 | 0 | 107.8 | S602 | S602-P604 VanDerWaalsContact O-CD 3.3Å; S602-P604 WeakPolarHBondContact O-CD 3.32Å | ||
| 605 | S | 40.7 | Very low | 43.6 | Very low | 59 Ų | 59 | 100.7 Ų | 100.7 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | trans | -61.8 | 136.3 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 109.5 | I603 I607 | I603-S605 PolarHBondContact O-N 2.93Å; S605-I607 PolarHBondContact O-N 3.35Å | ||
| 606 | M | 47.7 | Very low | 46.1 | Very low | 154 Ų | 154 | 99.1 Ų | 99.1 | 76% | 0.759 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -78.7 | 1.6 | -170.8 | -153.3 | -173.9 | -156.6 | 0 | 0 | 113.5 | R393 I608 | R393-M606 PolarHBondContact NH1-O 3.45Å; M606-I608 PolarHBondContact O-N 3.02Å; M606-I608 VanDerWaalsContact O-N 3.07Å |
| 607 | I | 48 | Very low | 48.9 | Very low | 25 Ų | 25 | 93.6 Ų | 93.6 | 13% | 0.128 | 52% | 0.515 | C | S | . | . | trans | -82.1 | 86.2 | -177.6 | -53 | -177.3 | 0 | 0 | 0 | 109 | L292 L295 H392 S605 T609 | L292-I607 HydrophobicContact CD1-CD1 3.78Å; L295-I607 HydrophobicContact CB-CD1 4.17Å; L295-I607 HydrophobicContact CD1-CD1 4.49Å; H392-I607 HydrophobicContact CB-CG2 4.1Å; S605-I607 PolarHBondContact O-N 3.35Å; I607-T609 PolarHBondContact O-N 2.77Å | ||
| 608 | I | 54.1 | Low | 51.6 | Low | 111 Ų | 111 | 86.8 Ų | 86.8 | 57% | 0.569 | 48% | 0.484 | S | S | * | . | trans | -77.9 | 113.2 | 170.8 | -58.3 | 179.1 | 0 | 0 | 0 | 108.7 | M606 | M606-I608 PolarHBondContact O-N 3.02Å; M606-I608 VanDerWaalsContact O-N 3.07Å | ||
| 609 | T | 54.8 | Low | 54.6 | Low | 69 Ų | 69 | 81.1 Ų | 81.1 | 42% | 0.423 | 45% | 0.45 | S | S | . | . | trans | -74.5 | 127.9 | 176.6 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | I607 A613 | I607-T609 PolarHBondContact O-N 2.77Å; T609-A613 HydrophobicContact CG2-CB 3.74Å | ||
| 610 | S | 58.6 | Low | 57.7 | Low | 30 Ų | 30 | 74 Ų | 74 | 21% | 0.21 | 42% | 0.418 | C | S | . | . | trans | -82.5 | 160.4 | 174.8 | 79 | 0 | 0 | 0 | 0 | 112.8 | I391 A612 A613 S614 | I391-S610 WeakPolarHBondContact CG2-OG 3.27Å; S610-A612 VanDerWaalsContact C-N 3.3Å; S610-A612 PolarHBondContact O-N 3.37Å; S610-A613 WeakPolarHBondContact O-CB 3.46Å; S610-A613 PolarHBondContact O-N 3.47Å; S610-A613 PolarHBondContact OG-N 2.71Å; S610-S614 PolarHBondContact O-N 2.84Å; S610-S614 PolarHBondContact O-OG 2.58Å | ||
| 611 | T | 56.9 | Low | 60.5 | Low | 111 Ų | 111 | 64.6 Ų | 64.6 | 68% | 0.681 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.5 | -36.2 | 176.3 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | A613 S614 T615 | T611-A613 VanDerWaalsContact C-N 3.31Å; T611-A613 PolarHBondContact O-N 3.32Å; T611-S614 VanDerWaalsContact C-OG 3.27Å; T611-S614 VanDerWaalsContact CA-OG 3.26Å; T611-S614 WeakPolarHBondContact CA-OG 3.31Å; T611-S614 PolarHBondContact O-N 3.46Å; T611-S614 PolarHBondContact O-OG 3.4Å; T611-T615 PolarHBondContact O-N 3.34Å |
| 612 | A | 54.5 | Low | 63.3 | Low | 11 Ų | 11 | 58.9 Ų | 58.9 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.6 | -21.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L377 S610 T615 | L377-A612 HydrophobicContact CB-CB 4.19Å; L377-A612 HydrophobicContact CD2-CB 3.67Å; S610-A612 VanDerWaalsContact C-N 3.3Å; S610-A612 PolarHBondContact O-N 3.37Å; A612-T615 PolarHBondContact O-OG1 2.85Å; A612-T615 VanDerWaalsContact O-OG1 3.09Å |
| 613 | A | 58 | Low | 65.8 | Low | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.7 | -35.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K279 I391 T609 S610 T611 T615 | K279-A613 VanDerWaalsContact CE-O 3.32Å; K279-A613 WeakPolarHBondContact CE-O 3.48Å; I391-A613 HydrophobicContact CG2-CB 3.31Å; T609-A613 HydrophobicContact CG2-CB 3.74Å; S610-A613 WeakPolarHBondContact O-CB 3.46Å; S610-A613 PolarHBondContact O-N 3.47Å; S610-A613 PolarHBondContact OG-N 2.71Å; T611-A613 VanDerWaalsContact C-N 3.31Å; T611-A613 PolarHBondContact O-N 3.32Å; A613-T615 VanDerWaalsContact C-N 3.34Å; A613-T615 PolarHBondContact O-N 3.26Å |
| 614 | S | 65.6 | Low | 68.1 | Low | 78 Ų | 78 | 50.2 Ų | 50.2 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -79.1 | -9.6 | -177 | 47.2 | 0 | 0 | 0 | 0 | 114.9 | S610 T611 E616 | S610-S614 PolarHBondContact O-N 2.84Å; S610-S614 PolarHBondContact O-OG 2.58Å; T611-S614 VanDerWaalsContact C-OG 3.27Å; T611-S614 VanDerWaalsContact CA-OG 3.26Å; T611-S614 WeakPolarHBondContact CA-OG 3.31Å; T611-S614 PolarHBondContact O-N 3.46Å; T611-S614 PolarHBondContact O-OG 3.4Å; S614-E616 PolarHBondContact O-N 3.18Å; S614-E616 VanDerWaalsContact O-N 3.13Å |
| 615 | T | 74.7 | Confident | 70.5 | Confident | 51 Ų | 51 | 45 Ų | 45 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | trans | -63.2 | 116.8 | 176 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | K279 T611 A612 A613 | K279-T615 VanDerWaalsContact CE-O 3.24Å; K279-T615 WeakPolarHBondContact CE-O 3.29Å; T611-T615 PolarHBondContact O-N 3.34Å; A612-T615 PolarHBondContact O-OG1 2.85Å; A612-T615 VanDerWaalsContact O-OG1 3.09Å; A613-T615 VanDerWaalsContact C-N 3.34Å; A613-T615 PolarHBondContact O-N 3.26Å | ||
| 616 | E | 82.3 | Confident | 72.6 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 34% | 0.341 | 26% | 0.26 | S | S | . | . | trans | -70.7 | 141.8 | 178.1 | -165.2 | 69.1 | 161.9 | 0 | 0 | 110.6 | K279 R280 D565 S614 | K279-E616 IonicContact NZ-OE2 3.68Å; K279-E616 PolarHBondContact NZ-OE2 3.23Å; R280-E616 IonicContact CZ-OE1 2.69Å; R280-E616 IonicContact CZ-OE2 3.12Å; R280-E616 VanDerWaalsContact NH1-CD 3.35Å; R280-E616 IonicContact NH1-OE1 2.93Å; R280-E616 PolarHBondContact NH1-OE1 2.83Å; R280-E616 IonicContact NH1-OE2 2.67Å; R280-E616 PolarHBondContact NH1-OE2 2.82Å; R280-E616 IonicContact NH2-OE1 3.23Å; R280-E616 PolarHBondContact NH2-OE1 3.26Å; R280-E616 IonicContact NH2-OE2 2.7Å; D565-E616 HydrophobicContact CB-CG 4.43Å; S614-E616 PolarHBondContact O-N 3.18Å; S614-E616 VanDerWaalsContact O-N 3.13Å | ||
| 617 | I | 85.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -107.3 | 116.9 | -179.4 | -55.1 | 169.4 | 0 | 0 | 0 | 106.9 | F53 N274 V276 K279 R388 V619 | F53-I617 HydrophobicContact CE2-CG2 3.86Å; N274-I617 HydrophobicContact CB-CD1 4.27Å; V276-I617 HydrophobicContact CB-CB 4.49Å; V276-I617 HydrophobicContact CB-CD1 3.98Å; V276-I617 HydrophobicContact CB-CG2 4.28Å; V276-I617 HydrophobicContact CG2-CB 4.07Å; V276-I617 HydrophobicContact CG2-CD1 4.13Å; V276-I617 HydrophobicContact CG2-CG2 4.25Å; K279-I617 HydrophobicContact CD-CD1 3.66Å; K279-I617 HydrophobicContact CD-CG1 4.09Å; R388-I617 VanDerWaalsContact NH2-CD1 3.33Å; I617-V619 HydrophobicContact CG2-CG2 3.9Å | ||
| 618 | D | 87.1 | Confident | 76.5 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | trans | -109.7 | 126.6 | 176.2 | -172.6 | 35.1 | 0 | 0 | 0 | 109.8 | Q54 N564 D565 | Q54-D618 PolarHBondContact N-O 3.04Å; N564-D618 VanDerWaalsContact CA-OD1 3.29Å; N564-D618 WeakPolarHBondContact CA-OD1 3.42Å; D565-D618 HydrophobicContact CB-CB 4.19Å; D565-D618 PolarHBondContact N-OD1 2.81Å | ||
| 619 | V | 90 | Very high | 78.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 111.7 | -178 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | D52 F53 N194 F273 L563 N564 I617 L621 | D52-V619 WeakPolarHBondContact O-CA 3.29Å; F53-V619 HydrophobicContact CD2-CG2 3.98Å; F53-V619 HydrophobicContact CE2-CG2 4.32Å; N194-V619 PolarHBondContact ND2-O 3.37Å; F273-V619 HydrophobicContact CB-CG2 3.83Å; F273-V619 HydrophobicContact CD1-CG1 3.6Å; F273-V619 HydrophobicContact CD1-CG2 4.12Å; F273-V619 HydrophobicContact CD2-CG1 4.24Å; F273-V619 HydrophobicContact CE1-CG1 3.68Å; F273-V619 HydrophobicContact CE2-CG1 4.3Å; F273-V619 HydrophobicContact CG-CG1 3.89Å; F273-V619 HydrophobicContact CG-CG2 3.99Å; F273-V619 HydrophobicContact CZ-CG1 4.04Å; L563-V619 HydrophobicContact CB-CB 4.23Å; L563-V619 HydrophobicContact CD2-CB 3.95Å; L563-V619 HydrophobicContact CD2-CG1 4.02Å; L563-V619 HydrophobicContact CG-CB 4.47Å; L563-V619 PolarHBondContact O-N 3.49Å; L563-V619 VanDerWaalsContact O-N 3.14Å; N564-V619 PolarHBondContact OD1-O 3.48Å; I617-V619 HydrophobicContact CG2-CG2 3.9Å; V619-L621 HydrophobicContact CG1-CD2 4.11Å; V619-L621 HydrophobicContact CG1-CG 4.4Å |
| 620 | V | 90.4 | Very high | 79.9 | Confident | 25 Ų | 25 | 37 Ų | 37 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.6 | 176.7 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | Y51 D52 P190 Y622 | Y51-V620 CarbonylContact C-O 3.41Å; Y51-V620 VanDerWaalsContact CA-O 3.31Å; Y51-V620 WeakPolarHBondContact CA-O 3.39Å; D52-V620 HydrophobicContact CB-CB 4.05Å; D52-V620 PolarHBondContact N-O 3.43Å; D52-V620 PolarHBondContact O-N 3.48Å; P190-V620 HydrophobicContact CB-CG1 3.92Å; V620-Y622 HydrophobicContact CG1-CE2 4.02Å |
| 621 | L | 90.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 152.6 | 173.4 | -60.1 | 177.8 | 0 | 0 | 0 | 111 | I191 N194 F273 A506 Q507 T510 L563 V619 | I191-L621 HydrophobicContact CD1-CB 4.08Å; I191-L621 PolarHBondContact N-O 2.85Å; N194-L621 WeakPolarHBondContact ND2-CB 3.47Å; N194-L621 VanDerWaalsContact ND2-CD1 3.35Å; N194-L621 WeakPolarHBondContact ND2-CD1 3.49Å; N194-L621 WeakPolarHBondContact ND2-CG 3.14Å; F273-L621 HydrophobicContact CE2-CD2 4.42Å; F273-L621 HydrophobicContact CZ-CD2 3.88Å; A506-L621 HydrophobicContact CB-CD1 3.55Å; Q507-L621 HydrophobicContact CG-CB 4.3Å; Q507-L621 HydrophobicContact CG-CD1 4.49Å; T510-L621 HydrophobicContact CG2-CD1 4.19Å; L563-L621 HydrophobicContact CD2-CD1 4.2Å; V619-L621 HydrophobicContact CG1-CD2 4.11Å; V619-L621 HydrophobicContact CG1-CG 4.4Å |
| 622 | Y | 90 | Very high | 83.1 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 9% | 0.09 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -113.9 | 147.4 | -178.7 | -70.3 | -100.2 | 0 | 0 | 0 | 111.5 | Q50 D52 R61 P188 K189 P190 V620 | Q50-Y622 HydrophobicContact CB-CD2 4.47Å; Q50-Y622 VanDerWaalsContact CD-CG 3.45Å; Q50-Y622 HydrophobicContact CG-CD1 4.43Å; Q50-Y622 HydrophobicContact CG-CD2 3.71Å; Q50-Y622 HydrophobicContact CG-CE2 4.24Å; Q50-Y622 HydrophobicContact CG-CG 3.83Å; D52-Y622 WeakPolarHBondContact OD2-CE2 3.49Å; D52-Y622 PolarHBondContact OD2-OH 3.47Å; R61-Y622 PolarHBondContact NH2-OH 3.29Å; P188-Y622 HydrophobicContact CB-CD1 4.29Å; K189-Y622 WeakPolarHBondContact O-CA 3.23Å; P190-Y622 HydrophobicContact CB-CE1 4.47Å; P190-Y622 HydrophobicContact CG-CD1 4.31Å; P190-Y622 HydrophobicContact CG-CE1 3.74Å; V620-Y622 HydrophobicContact CG1-CE2 4.02Å |
| 623 | S | 85.8 | Confident | 84.7 | Confident | 43 Ų | 43 | 33.5 Ų | 33.5 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -70 | 173.4 | 173.4 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | R47 K189 | R47-S623 PolarHBondContact NH1-O 3.4Å; K189-S623 PolarHBondContact N-OG 2.91Å; K189-S623 PolarHBondContact O-N 3.41Å; K189-S623 PolarHBondContact O-OG 3.11Å |
| 624 | D | 80.9 | Confident | 85.9 | Confident | 36 Ų | 36 | 39.3 Ų | 39.3 | 19% | 0.193 | 22% | 0.215 | C | C | . | . | trans | 67.3 | 47 | 173.3 | -155.5 | 37.6 | 0 | 0 | 0 | 113.3 | R47 S185 L186 | R47-D624 WeakPolarHBondContact CD-O 3.34Å; R47-D624 PolarHBondContact NH1-O 2.79Å; R47-D624 VanDerWaalsContact NH1-O 3.11Å; S185-D624 VanDerWaalsContact CB-OD2 3.3Å; S185-D624 WeakPolarHBondContact CB-OD2 3.43Å; S185-D624 PolarHBondContact OG-OD2 2.81Å; L186-D624 PolarHBondContact N-OD2 2.76Å; L186-D624 VanDerWaalsContact N-OD2 3.08Å | ||
| 625 | A | 83.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | trans | -93.1 | -7.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P225 Q507 Y508 | P225-A625 HydrophobicContact CB-CB 4.2Å; P225-A625 HydrophobicContact CG-CB 3.85Å; Q507-A625 HydrophobicContact CB-CB 4.16Å; Q507-A625 HydrophobicContact CG-CB 4.38Å; Y508-A625 HydrophobicContact CE2-CB 4.25Å; Y508-A625 PolarHBondContact OH-O 3.34Å | ||
| 626 | D | 85.6 | Confident | 86.7 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -67.3 | 147.1 | -179.2 | -73.8 | -40.3 | 0 | 0 | 0 | 112.2 | Y508 R538 C628 | Y508-D626 WeakPolarHBondContact CE1-OD1 3.4Å; Y508-D626 VanDerWaalsContact OH-CA 3.3Å; Y508-D626 WeakPolarHBondContact OH-CA 3.02Å; Y508-D626 PolarHBondContact OH-OD1 2.71Å; R538-D626 IonicContact CZ-OD1 3.18Å; R538-D626 IonicContact NH1-OD1 3.1Å; R538-D626 VanDerWaalsContact NH2-CG 3.3Å; R538-D626 IonicContact NH2-OD1 3.4Å; R538-D626 PolarHBondContact NH2-OD1 3.32Å; R538-D626 IonicContact NH2-OD2 3.31Å; R538-D626 PolarHBondContact NH2-OD2 2.99Å; D626-C628 PolarHBondContact O-N 2.74Å |
| 627 | P | 88.2 | Confident | 86.3 | Confident | 61 Ų | 61 | 38.8 Ų | 38.8 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | trans | -57 | 136.6 | 171.3 | -18.9 | 30.2 | 0 | 0 | 0 | 110.2 | T44 Y46 | T44-P627 HydrophobicContact CG2-CB 3.78Å; Y46-P627 HydrophobicContact CD1-CB 3.93Å; Y46-P627 HydrophobicContact CD1-CG 3.9Å; Y46-P627 HydrophobicContact CE1-CB 3.87Å; Y46-P627 HydrophobicContact CE1-CG 3.81Å | ||
| 628 | C | 88.3 | Confident | 85.6 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 158.5 | 176.3 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | V45 D626 | V45-C628 WeakPolarHBondContact CG2-O 3.24Å; V45-C628 WeakPolarHBondContact CG2-SG 3.46Å; V45-C628 PolarHBondContact N-O 3.36Å; V45-C628 PolarHBondContact O-N 2.96Å; D626-C628 PolarHBondContact O-N 2.74Å |
| 629 | I | 90.3 | Very high | 85 | Confident | 102 Ų | 102 | 45 Ų | 45 | 52% | 0.523 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.1 | 176.1 | -56.2 | 176.1 | 0 | 0 | 0 | 107.4 | E42 | E42-I629 HydrophobicContact CB-CG2 3.81Å; E42-I629 HydrophobicContact CG-CG2 4.17Å |
| 630 | M | 90.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.8 | 169.8 | -178 | 172.3 | -77.5 | 0 | 0 | 108.8 | E42 F43 V45 I65 I106 L181 L182 T183 | E42-M630 WeakPolarHBondContact CA-O 3.41Å; F43-M630 HydrophobicContact CD2-CB 4.41Å; F43-M630 HydrophobicContact CE2-CB 4.13Å; F43-M630 HydrophobicContact CE2-CG 4.35Å; F43-M630 HydrophobicContact CE2-SD 3.89Å; F43-M630 HydrophobicContact CZ-CG 4.36Å; F43-M630 HydrophobicContact CZ-SD 3.91Å; F43-M630 PolarHBondContact N-O 3.49Å; F43-M630 VanDerWaalsContact N-O 3.14Å; F43-M630 PolarHBondContact O-N 3.47Å; V45-M630 HydrophobicContact CB-CB 4.47Å; V45-M630 HydrophobicContact CG1-CB 3.63Å; V45-M630 HydrophobicContact CG1-CE 4.03Å; V45-M630 HydrophobicContact CG1-CG 4.45Å; V45-M630 HydrophobicContact CG1-SD 4.01Å; V45-M630 HydrophobicContact CG2-CB 3.96Å; V45-M630 HydrophobicContact CG2-CE 4.25Å; I65-M630 HydrophobicContact CD1-CE 4.01Å; I106-M630 HydrophobicContact CD1-CE 3.5Å; I106-M630 HydrophobicContact CD1-SD 3.37Å; I106-M630 WeakPolarHBondContact CD1-SD 3.39Å; I106-M630 HydrophobicContact CG1-CE 4Å; I106-M630 HydrophobicContact CG1-SD 4.35Å; L181-M630 HydrophobicContact CB-SD 4.21Å; L181-M630 HydrophobicContact CD2-SD 4.22Å; L182-M630 WeakPolarHBondContact O-CA 3.22Å; T183-M630 HydrophobicContact CG2-CE 3.3Å; T183-M630 HydrophobicContact CG2-CG 4.45Å |
| 631 | S | 91.2 | Very high | 83.8 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132.4 | 172.8 | 69.5 | 0 | 0 | 0 | 0 | 110.2 | L182 H633 | L182-S631 PolarHBondContact N-O 2.96Å; L182-S631 PolarHBondContact O-N 2.83Å; S631-H633 PolarHBondContact OG-NE2 3.32Å |
| 632 | V | 90.7 | Very high | 83.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 111.3 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | V40 Q41 F43 V150 Y179 R180 L181 | V40-V632 WeakPolarHBondContact CA-O 3.26Å; Q41-V632 HydrophobicContact CB-CB 4.41Å; Q41-V632 PolarHBondContact N-O 3.39Å; Q41-V632 PolarHBondContact O-N 3.09Å; F43-V632 HydrophobicContact CD1-CG2 4.3Å; F43-V632 HydrophobicContact CE1-CG2 3.39Å; F43-V632 HydrophobicContact CZ-CG2 3.86Å; V150-V632 HydrophobicContact CG1-CG1 4.1Å; V150-V632 HydrophobicContact CG2-CG1 4.27Å; Y179-V632 HydrophobicContact CD1-CG1 3.74Å; Y179-V632 HydrophobicContact CG-CG1 4.4Å; R180-V632 WeakPolarHBondContact O-CA 3.25Å; L181-V632 HydrophobicContact CD2-CB 4.09Å; L181-V632 HydrophobicContact CD2-CG1 3.84Å; L181-V632 HydrophobicContact CD2-CG2 3.37Å |
| 633 | H | 88.1 | Confident | 83 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.4 | 179.4 | -63.2 | -87.7 | 0 | 0 | 0 | 110.1 | A39 V40 Y179 R180 L182 S631 L635 | A39-H633 WeakPolarHBondContact O-CA 3.47Å; V40-H633 WeakPolarHBondContact CG2-ND1 3.4Å; Y179-H633 WeakPolarHBondContact CA-O 2.98Å; R180-H633 PolarHBondContact N-O 2.83Å; R180-H633 PolarHBondContact O-N 2.83Å; L182-H633 VanDerWaalsContact CD1-CD2 3.43Å; L182-H633 WeakPolarHBondContact CD1-CD2 3.3Å; S631-H633 PolarHBondContact OG-NE2 3.32Å; H633-L635 HydrophobicContact CB-CG 4.33Å; H633-L635 PolarHBondContact O-N 2.9Å |
| 634 | R | 84.2 | Confident | 82.9 | Confident | 125 Ų | 125 | 60 Ų | 60 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 107.6 | 170.1 | -170.9 | 177.6 | -178.1 | -177.6 | 1.1 | 109 | A39 T177 Y179 | A39-R634 PolarHBondContact O-N 2.81Å; T177-R634 HydrophobicContact CG2-CG 4.45Å; Y179-R634 HydrophobicContact CE1-CB 4.34Å; Y179-R634 HydrophobicContact CE1-CG 4.26Å |
| 635 | L | 81.5 | Confident | 83.1 | Confident | 83 Ų | 83 | 60.6 Ų | 60.6 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 140.8 | -179.3 | -62.9 | 170.5 | 0 | 0 | 0 | 109.7 | T177 G178 R180 H633 | T177-L635 CarbonylContact C-O 3.49Å; T177-L635 WeakPolarHBondContact CA-O 3.37Å; G178-L635 PolarHBondContact N-O 3.49Å; G178-L635 PolarHBondContact O-N 2.96Å; R180-L635 HydrophobicContact CB-CD1 3.81Å; H633-L635 HydrophobicContact CB-CG 4.33Å; H633-L635 PolarHBondContact O-N 2.9Å |
| 636 | K | 75.7 | Confident | 83.2 | Confident | 85 Ų | 85 | 63 Ų | 63 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 152.4 | 165.6 | -74.8 | -174.7 | -179.5 | 171.9 | 0 | 110 | T177 F640 | T177-K636 HydrophobicContact CG2-CG 4.25Å; K636-F640 HydrophobicContact CB-CB 4.45Å; K636-F640 HydrophobicContact CB-CD1 4.34Å; K636-F640 HydrophobicContact CD-CD1 3.61Å; K636-F640 HydrophobicContact CD-CE1 3.59Å; K636-F640 HydrophobicContact CD-CG 4.1Å; K636-F640 HydrophobicContact CD-CZ 4.1Å |
| 637 | S | 72.7 | Confident | 83.2 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | trans | -53.5 | 137.5 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | A173 S176 I639 F640 | A173-S637 WeakPolarHBondContact O-CB 3.23Å; A173-S637 PolarHBondContact O-OG 2.83Å; S176-S637 WeakPolarHBondContact O-CB 3.26Å; S176-S637 PolarHBondContact O-N 3.29Å; S637-I639 PolarHBondContact O-N 3.24Å; S637-I639 VanDerWaalsContact O-N 3.12Å; S637-I639 WeakPolarHBondContact OG-CB 3.48Å; S637-I639 WeakPolarHBondContact OG-CG1 3.38Å; S637-I639 PolarHBondContact OG-N 3.06Å; S637-F640 WeakPolarHBondContact O-CB 3.32Å; S637-F640 PolarHBondContact O-N 3.36Å | ||
| 638 | S | 71.8 | Confident | 83.1 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 66% | 0.664 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.7 | -22.2 | 172 | 55 | 0 | 0 | 0 | 0 | 112.7 | F640 D641 F642 | S638-F640 PolarHBondContact O-N 3.49Å; S638-D641 PolarHBondContact O-N 2.84Å; S638-F642 PolarHBondContact O-N 2.88Å; S638-F642 VanDerWaalsContact O-N 3.08Å |
| 639 | I | 75.1 | Confident | 83 | Confident | 68 Ų | 68 | 70.3 Ų | 70.3 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.9 | -31.5 | 173.7 | -52.2 | 172.3 | 0 | 0 | 0 | 110.3 | A173 I174 S637 F642 V643 | A173-I639 HydrophobicContact CB-CD1 4.01Å; I174-I639 HydrophobicContact CB-CG2 4.43Å; I174-I639 HydrophobicContact CG1-CB 4.5Å; I174-I639 HydrophobicContact CG1-CG2 3.56Å; S637-I639 PolarHBondContact O-N 3.24Å; S637-I639 VanDerWaalsContact O-N 3.12Å; S637-I639 WeakPolarHBondContact OG-CB 3.48Å; S637-I639 WeakPolarHBondContact OG-CG1 3.38Å; S637-I639 PolarHBondContact OG-N 3.06Å; I639-F642 PolarHBondContact O-N 2.89Å; I639-V643 HydrophobicContact CG2-CG2 4.3Å; I639-V643 WeakPolarHBondContact O-CB 3.12Å; I639-V643 VanDerWaalsContact O-CG2 3.31Å; I639-V643 WeakPolarHBondContact O-CG2 3.5Å; I639-V643 PolarHBondContact O-N 2.85Å |
| 640 | F | 78 | Confident | 82.8 | Confident | 59 Ų | 59 | 67.5 Ų | 67.5 | 26% | 0.259 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 174.3 | -177.9 | -104.9 | 0 | 0 | 0 | 111.1 | K636 S637 S638 F642 V643 I644 | K636-F640 HydrophobicContact CB-CB 4.45Å; K636-F640 HydrophobicContact CB-CD1 4.34Å; K636-F640 HydrophobicContact CD-CD1 3.61Å; K636-F640 HydrophobicContact CD-CE1 3.59Å; K636-F640 HydrophobicContact CD-CG 4.1Å; K636-F640 HydrophobicContact CD-CZ 4.1Å; S637-F640 WeakPolarHBondContact O-CB 3.32Å; S637-F640 PolarHBondContact O-N 3.36Å; S638-F640 PolarHBondContact O-N 3.49Å; F640-F642 VanDerWaalsContact C-N 3.32Å; F640-F642 PolarHBondContact O-N 3.04Å; F640-V643 PolarHBondContact O-N 3.34Å; F640-I644 HydrophobicContact CD1-CD1 3.71Å; F640-I644 HydrophobicContact CD1-CG1 4.48Å; F640-I644 HydrophobicContact CE1-CD1 3.14Å; F640-I644 HydrophobicContact CE1-CG1 4.22Å; F640-I644 HydrophobicContact CE2-CD1 4.13Å; F640-I644 HydrophobicContact CG-CD1 4.42Å; F640-I644 HydrophobicContact CZ-CD1 3.39Å; F640-I644 HydrophobicContact CZ-CG1 4.25Å; F640-I644 WeakPolarHBondContact O-CG1 3.47Å; F640-I644 PolarHBondContact O-N 3.38Å |
| 641 | D | 76.4 | Confident | 82.5 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -38 | 178 | -64.4 | -27.2 | 0 | 0 | 0 | 111.3 | S638 I644 A645 | S638-D641 PolarHBondContact O-N 2.84Å; D641-I644 PolarHBondContact O-N 3.35Å; D641-A645 VanDerWaalsContact O-CB 3.29Å; D641-A645 WeakPolarHBondContact O-CB 3.07Å; D641-A645 PolarHBondContact O-N 3.34Å |
| 642 | F | 82.9 | Confident | 82.1 | Confident | 139 Ų | 139 | 76.6 Ų | 76.6 | 61% | 0.61 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.9 | -44.6 | 173.6 | -179.9 | -100.4 | 0 | 0 | 0 | 112.3 | S638 I639 F640 A645 C646 | S638-F642 PolarHBondContact O-N 2.88Å; S638-F642 VanDerWaalsContact O-N 3.08Å; I639-F642 PolarHBondContact O-N 2.89Å; F640-F642 VanDerWaalsContact C-N 3.32Å; F640-F642 PolarHBondContact O-N 3.04Å; F642-A645 WeakPolarHBondContact O-CB 3.25Å; F642-A645 PolarHBondContact O-N 3.46Å; F642-C646 PolarHBondContact O-N 2.92Å; F642-C646 PolarHBondContact O-SG 3.44Å; F642-C646 VanDerWaalsContact O-SG 3.37Å |
| 643 | V | 81.7 | Confident | 81.8 | Confident | 45 Ų | 45 | 78.1 Ų | 78.1 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 177.1 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | I174 I639 F640 A645 C646 L647 | I174-V643 HydrophobicContact CD1-CG2 4.05Å; I174-V643 HydrophobicContact CG1-CG2 4.03Å; I174-V643 HydrophobicContact CG2-CB 4.33Å; I174-V643 HydrophobicContact CG2-CG2 4.03Å; I639-V643 HydrophobicContact CG2-CG2 4.3Å; I639-V643 WeakPolarHBondContact O-CB 3.12Å; I639-V643 VanDerWaalsContact O-CG2 3.31Å; I639-V643 WeakPolarHBondContact O-CG2 3.5Å; I639-V643 PolarHBondContact O-N 2.85Å; F640-V643 PolarHBondContact O-N 3.34Å; V643-A645 VanDerWaalsContact C-N 3.33Å; V643-A645 PolarHBondContact O-N 2.81Å; V643-C646 PolarHBondContact O-N 3.44Å; V643-L647 HydrophobicContact CG1-CD1 3.98Å; V643-L647 HydrophobicContact CG1-CG 4.33Å; V643-L647 WeakPolarHBondContact O-CB 3.38Å; V643-L647 VanDerWaalsContact O-CG 3.24Å; V643-L647 WeakPolarHBondContact O-CG 3.29Å; V643-L647 PolarHBondContact O-N 3.14Å |
| 644 | I | 82.5 | Confident | 81.6 | Confident | 62 Ų | 62 | 81.4 Ų | 81.4 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 172.9 | -75.1 | -178.3 | 0 | 0 | 0 | 110.6 | F640 D641 C646 L647 I648 | F640-I644 HydrophobicContact CD1-CD1 3.71Å; F640-I644 HydrophobicContact CD1-CG1 4.48Å; F640-I644 HydrophobicContact CE1-CD1 3.14Å; F640-I644 HydrophobicContact CE1-CG1 4.22Å; F640-I644 HydrophobicContact CE2-CD1 4.13Å; F640-I644 HydrophobicContact CG-CD1 4.42Å; F640-I644 HydrophobicContact CZ-CD1 3.39Å; F640-I644 HydrophobicContact CZ-CG1 4.25Å; F640-I644 WeakPolarHBondContact O-CG1 3.47Å; F640-I644 PolarHBondContact O-N 3.38Å; D641-I644 PolarHBondContact O-N 3.35Å; I644-C646 PolarHBondContact O-N 3.35Å; I644-L647 PolarHBondContact O-N 3.44Å; I644-I648 HydrophobicContact CG2-CD1 3.54Å; I644-I648 HydrophobicContact CG2-CG1 4.2Å; I644-I648 WeakPolarHBondContact O-CB 3.1Å; I644-I648 VanDerWaalsContact O-CG1 3.26Å; I644-I648 WeakPolarHBondContact O-CG1 3.27Å; I644-I648 PolarHBondContact O-N 2.87Å |
| 645 | A | 85.1 | Confident | 81.2 | Confident | 47 Ų | 47 | 78 Ų | 78 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D641 F642 V643 L647 I648 T649 | D641-A645 VanDerWaalsContact O-CB 3.29Å; D641-A645 WeakPolarHBondContact O-CB 3.07Å; D641-A645 PolarHBondContact O-N 3.34Å; F642-A645 WeakPolarHBondContact O-CB 3.25Å; F642-A645 PolarHBondContact O-N 3.46Å; V643-A645 VanDerWaalsContact C-N 3.33Å; V643-A645 PolarHBondContact O-N 2.81Å; A645-L647 VanDerWaalsContact C-N 3.33Å; A645-L647 PolarHBondContact O-N 2.84Å; A645-I648 PolarHBondContact O-N 3.45Å; A645-T649 WeakPolarHBondContact O-CB 3.26Å; A645-T649 PolarHBondContact O-N 3.37Å; A645-T649 PolarHBondContact O-OG1 2.98Å |
| 646 | C | 86.7 | Confident | 81.1 | Confident | 63 Ų | 63 | 80.9 Ų | 80.9 | 43% | 0.426 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 174.6 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | F642 V643 I644 G650 | F642-C646 PolarHBondContact O-N 2.92Å; F642-C646 PolarHBondContact O-SG 3.44Å; F642-C646 VanDerWaalsContact O-SG 3.37Å; V643-C646 PolarHBondContact O-N 3.44Å; I644-C646 PolarHBondContact O-N 3.35Å; C646-G650 PolarHBondContact O-N 2.97Å |
| 647 | L | 85.9 | Confident | 81.2 | Confident | 115 Ų | 115 | 81.1 Ų | 81.1 | 60% | 0.602 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.3 | -41.9 | 176.6 | -73.6 | 172.1 | 0 | 0 | 0 | 111.7 | V643 I644 A645 G650 Y651 | V643-L647 HydrophobicContact CG1-CD1 3.98Å; V643-L647 HydrophobicContact CG1-CG 4.33Å; V643-L647 WeakPolarHBondContact O-CB 3.38Å; V643-L647 VanDerWaalsContact O-CG 3.24Å; V643-L647 WeakPolarHBondContact O-CG 3.29Å; V643-L647 PolarHBondContact O-N 3.14Å; I644-L647 PolarHBondContact O-N 3.44Å; A645-L647 VanDerWaalsContact C-N 3.33Å; A645-L647 PolarHBondContact O-N 2.84Å; L647-G650 PolarHBondContact O-N 3.41Å; L647-Y651 WeakPolarHBondContact O-CB 3.36Å; L647-Y651 PolarHBondContact O-N 3.23Å |
| 648 | I | 85.2 | Confident | 81.4 | Confident | 89 Ų | 89 | 85.3 Ų | 85.3 | 46% | 0.456 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 175.6 | -68.4 | 168.4 | 0 | 0 | 0 | 110.1 | I644 A645 G650 Y651 L652 | I644-I648 HydrophobicContact CG2-CD1 3.54Å; I644-I648 HydrophobicContact CG2-CG1 4.2Å; I644-I648 WeakPolarHBondContact O-CB 3.1Å; I644-I648 VanDerWaalsContact O-CG1 3.26Å; I644-I648 WeakPolarHBondContact O-CG1 3.27Å; I644-I648 PolarHBondContact O-N 2.87Å; A645-I648 PolarHBondContact O-N 3.45Å; I648-G650 PolarHBondContact O-N 3.3Å; I648-Y651 PolarHBondContact O-N 2.87Å; I648-L652 HydrophobicContact CG2-CD1 3.84Å; I648-L652 HydrophobicContact CG2-CG 4.36Å; I648-L652 WeakPolarHBondContact O-CB 3.42Å; I648-L652 VanDerWaalsContact O-CG 3.32Å; I648-L652 WeakPolarHBondContact O-CG 3.4Å; I648-L652 PolarHBondContact O-N 2.81Å |
| 649 | T | 86.1 | Confident | 81.6 | Confident | 99 Ų | 99 | 86.7 Ų | 86.7 | 61% | 0.607 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | A645 L652 G653 | A645-T649 WeakPolarHBondContact O-CB 3.26Å; A645-T649 PolarHBondContact O-N 3.37Å; A645-T649 PolarHBondContact O-OG1 2.98Å; T649-L652 PolarHBondContact O-N 3.23Å; T649-G653 PolarHBondContact O-N 2.91Å |
| 650 | G | 86.8 | Confident | 81.8 | Confident | 43 Ų | 43 | 87.7 Ų | 87.7 | 44% | 0.443 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C646 L647 I648 G653 L654 | C646-G650 PolarHBondContact O-N 2.97Å; L647-G650 PolarHBondContact O-N 3.41Å; I648-G650 PolarHBondContact O-N 3.3Å; G650-G653 PolarHBondContact O-N 3.44Å; G650-L654 WeakPolarHBondContact O-CB 3.07Å; G650-L654 PolarHBondContact O-N 3.41Å |
| 651 | Y | 84.1 | Confident | 81.5 | Confident | 110 Ų | 110 | 90.3 Ų | 90.3 | 43% | 0.431 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 175.9 | 176 | -99.2 | 0 | 0 | 0 | 112.3 | L21 L647 I648 G653 L654 M655 | L21-Y651 HydrophobicContact CD1-CE1 4.04Å; L21-Y651 WeakPolarHBondContact CD1-OH 3.26Å; L21-Y651 HydrophobicContact CD2-CE1 4.46Å; L647-Y651 WeakPolarHBondContact O-CB 3.36Å; L647-Y651 PolarHBondContact O-N 3.23Å; I648-Y651 PolarHBondContact O-N 2.87Å; Y651-G653 VanDerWaalsContact C-N 3.31Å; Y651-G653 PolarHBondContact O-N 3.35Å; Y651-L654 PolarHBondContact O-N 3.09Å; Y651-M655 HydrophobicContact CD1-CG 4.4Å; Y651-M655 HydrophobicContact CE1-CG 3.94Å; Y651-M655 HydrophobicContact CE2-CG 4.33Å; Y651-M655 WeakPolarHBondContact O-CG 3.22Å; Y651-M655 PolarHBondContact O-N 3.17Å |
| 652 | L | 83.9 | Confident | 81 | Confident | 104 Ų | 104 | 88.9 Ų | 88.9 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 175.8 | -72.6 | 172.1 | 0 | 0 | 0 | 111.5 | I648 T649 M655 Y656 | I648-L652 HydrophobicContact CG2-CD1 3.84Å; I648-L652 HydrophobicContact CG2-CG 4.36Å; I648-L652 WeakPolarHBondContact O-CB 3.42Å; I648-L652 VanDerWaalsContact O-CG 3.32Å; I648-L652 WeakPolarHBondContact O-CG 3.4Å; I648-L652 PolarHBondContact O-N 2.81Å; T649-L652 PolarHBondContact O-N 3.23Å; L652-M655 PolarHBondContact O-N 2.96Å; L652-Y656 WeakPolarHBondContact O-CB 3.37Å; L652-Y656 PolarHBondContact O-N 3.37Å |
| 653 | G | 84 | Confident | 80.2 | Confident | 34 Ų | 34 | 87.2 Ų | 87.2 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | T649 G650 Y651 Y656 M657 | T649-G653 PolarHBondContact O-N 2.91Å; G650-G653 PolarHBondContact O-N 3.44Å; Y651-G653 VanDerWaalsContact C-N 3.31Å; Y651-G653 PolarHBondContact O-N 3.35Å; G653-Y656 PolarHBondContact O-N 3.28Å; G653-M657 VanDerWaalsContact O-CG 3.27Å; G653-M657 WeakPolarHBondContact O-CG 2.94Å; G653-M657 PolarHBondContact O-N 2.86Å |
| 654 | L | 82.3 | Confident | 79.3 | Confident | 121 Ų | 121 | 88.7 Ų | 88.7 | 63% | 0.634 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 175.1 | -119.1 | 164.2 | 0 | 0 | 0 | 112.1 | G650 Y651 F658 | G650-L654 WeakPolarHBondContact O-CB 3.07Å; G650-L654 PolarHBondContact O-N 3.41Å; Y651-L654 PolarHBondContact O-N 3.09Å; L654-F658 WeakPolarHBondContact O-CB 3.38Å; L654-F658 PolarHBondContact O-N 3.42Å |
| 655 | M | 77 | Confident | 78.1 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 27% | 0.266 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 174.4 | -77.9 | -67.4 | 109.3 | 0 | 0 | 112.3 | Y651 L652 F658 L659 | Y651-M655 HydrophobicContact CD1-CG 4.4Å; Y651-M655 HydrophobicContact CE1-CG 3.94Å; Y651-M655 HydrophobicContact CE2-CG 4.33Å; Y651-M655 WeakPolarHBondContact O-CG 3.22Å; Y651-M655 PolarHBondContact O-N 3.17Å; L652-M655 PolarHBondContact O-N 2.96Å; M655-F658 PolarHBondContact O-N 3.44Å; M655-L659 WeakPolarHBondContact O-CG 3.26Å; M655-L659 PolarHBondContact O-N 2.6Å |
| 656 | Y | 79.1 | Confident | 76.9 | Confident | 144 Ų | 144 | 89.9 Ų | 89.9 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.4 | -48.1 | 174.2 | 176.9 | -99.8 | 0 | 0 | 0 | 110.9 | L652 G653 F658 L659 E660 | L652-Y656 WeakPolarHBondContact O-CB 3.37Å; L652-Y656 PolarHBondContact O-N 3.37Å; G653-Y656 PolarHBondContact O-N 3.28Å; Y656-F658 VanDerWaalsContact C-N 3.32Å; Y656-F658 PolarHBondContact O-N 2.94Å; Y656-L659 PolarHBondContact O-N 3.08Å; Y656-E660 WeakPolarHBondContact CE1-OE2 3.4Å; Y656-E660 WeakPolarHBondContact O-CB 3.39Å; Y656-E660 PolarHBondContact O-N 2.87Å; Y656-E660 PolarHBondContact OH-OE2 3.35Å |
| 657 | M | 78.4 | Confident | 75.6 | Confident | 90 Ų | 90 | 91.2 Ų | 91.2 | 44% | 0.443 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 173.4 | -69.2 | -69.8 | -69.8 | 0 | 0 | 111.4 | G653 L659 Y661 | G653-M657 VanDerWaalsContact O-CG 3.27Å; G653-M657 WeakPolarHBondContact O-CG 2.94Å; G653-M657 PolarHBondContact O-N 2.86Å; M657-L659 PolarHBondContact O-N 3.25Å; M657-Y661 HydrophobicContact CB-CD2 4.4Å; M657-Y661 HydrophobicContact CE-CD2 3.78Å; M657-Y661 HydrophobicContact CE-CE2 3.2Å; M657-Y661 VanDerWaalsContact O-CB 3.26Å; M657-Y661 WeakPolarHBondContact O-CB 3.19Å; M657-Y661 WeakPolarHBondContact O-CD2 3.45Å; M657-Y661 PolarHBondContact O-N 2.84Å; M657-Y661 HydrophobicContact SD-CD2 4.1Å; M657-Y661 HydrophobicContact SD-CE2 3.56Å; M657-Y661 VanDerWaalsContact SD-CE2 3.56Å |
| 658 | F | 77.1 | Confident | 74.3 | Confident | 109 Ų | 109 | 90.6 Ų | 90.6 | 48% | 0.478 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.6 | -179.4 | -97.2 | 0 | 0 | 0 | 112.2 | L654 M655 Y656 F662 | L654-F658 WeakPolarHBondContact O-CB 3.38Å; L654-F658 PolarHBondContact O-N 3.42Å; M655-F658 PolarHBondContact O-N 3.44Å; Y656-F658 VanDerWaalsContact C-N 3.32Å; Y656-F658 PolarHBondContact O-N 2.94Å; F658-F662 HydrophobicContact CE1-CD2 4.03Å; F658-F662 HydrophobicContact CE1-CE2 4.35Å; F658-F662 HydrophobicContact CZ-CD2 4Å; F658-F662 HydrophobicContact CZ-CE2 4.17Å; F658-F662 WeakPolarHBondContact O-CA 3.47Å; F658-F662 VanDerWaalsContact O-CB 3.26Å; F658-F662 WeakPolarHBondContact O-CB 3.37Å; F658-F662 PolarHBondContact O-N 3.35Å |
| 659 | L | 75.5 | Confident | 73 | Confident | 125 Ų | 125 | 93.2 Ų | 93.2 | 65% | 0.654 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.4 | -45.1 | 178.4 | -72.1 | 171.4 | 0 | 0 | 0 | 112.4 | M655 Y656 M657 F662 | M655-L659 WeakPolarHBondContact O-CG 3.26Å; M655-L659 PolarHBondContact O-N 2.6Å; Y656-L659 PolarHBondContact O-N 3.08Å; M657-L659 PolarHBondContact O-N 3.25Å; L659-F662 VanDerWaalsContact O-CB 3.26Å; L659-F662 WeakPolarHBondContact O-CB 3.43Å; L659-F662 PolarHBondContact O-N 2.91Å |
| 660 | E | 78.5 | Confident | 71.4 | Confident | 89 Ų | 89 | 94.9 Ų | 94.9 | 42% | 0.416 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 179.7 | -169.2 | 175.2 | -164.5 | 0 | 0 | 110.3 | Y656 F662 H663 | Y656-E660 WeakPolarHBondContact CE1-OE2 3.4Å; Y656-E660 WeakPolarHBondContact O-CB 3.39Å; Y656-E660 PolarHBondContact O-N 2.87Å; Y656-E660 PolarHBondContact OH-OE2 3.35Å; E660-F662 VanDerWaalsContact C-N 3.27Å; E660-F662 PolarHBondContact O-N 3.2Å; E660-H663 PolarHBondContact O-CE1 2.89Å; E660-H663 PolarHBondContact O-ND1 3.34Å |
| 661 | Y | 72.7 | Confident | 69.8 | Low | 114 Ų | 114 | 96.3 Ų | 96.3 | 45% | 0.447 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 0.1 | 178.1 | -69.8 | -95.6 | 0 | 0 | 0 | 113.8 | M657 H663 I664 V665 | M657-Y661 HydrophobicContact CB-CD2 4.4Å; M657-Y661 HydrophobicContact CE-CD2 3.78Å; M657-Y661 HydrophobicContact CE-CE2 3.2Å; M657-Y661 VanDerWaalsContact O-CB 3.26Å; M657-Y661 WeakPolarHBondContact O-CB 3.19Å; M657-Y661 WeakPolarHBondContact O-CD2 3.45Å; M657-Y661 PolarHBondContact O-N 2.84Å; M657-Y661 HydrophobicContact SD-CD2 4.1Å; M657-Y661 HydrophobicContact SD-CE2 3.56Å; M657-Y661 VanDerWaalsContact SD-CE2 3.56Å; Y661-H663 PolarHBondContact O-N 3.35Å; Y661-I664 HydrophobicContact CD1-CD1 3.74Å; Y661-I664 HydrophobicContact CD1-CG1 4.39Å; Y661-I664 HydrophobicContact CE1-CD1 4.17Å; Y661-I664 WeakPolarHBondContact O-CA 3.24Å; Y661-I664 WeakPolarHBondContact O-CB 3.26Å; Y661-I664 PolarHBondContact O-N 2.83Å; Y661-V665 PolarHBondContact O-N 3.15Å; Y661-V665 VanDerWaalsContact O-N 3.08Å |
| 662 | F | 65.9 | Low | 68.3 | Low | 71 Ų | 71 | 95.9 Ų | 95.9 | 31% | 0.311 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.8 | -34.8 | 179.3 | -168.9 | -111.2 | 0 | 0 | 0 | 112.2 | F658 L659 E660 I664 V665 Q666 | F658-F662 HydrophobicContact CE1-CD2 4.03Å; F658-F662 HydrophobicContact CE1-CE2 4.35Å; F658-F662 HydrophobicContact CZ-CD2 4Å; F658-F662 HydrophobicContact CZ-CE2 4.17Å; F658-F662 WeakPolarHBondContact O-CA 3.47Å; F658-F662 VanDerWaalsContact O-CB 3.26Å; F658-F662 WeakPolarHBondContact O-CB 3.37Å; F658-F662 PolarHBondContact O-N 3.35Å; L659-F662 VanDerWaalsContact O-CB 3.26Å; L659-F662 WeakPolarHBondContact O-CB 3.43Å; L659-F662 PolarHBondContact O-N 2.91Å; E660-F662 VanDerWaalsContact C-N 3.27Å; E660-F662 PolarHBondContact O-N 3.2Å; F662-I664 VanDerWaalsContact C-N 3.31Å; F662-I664 PolarHBondContact O-N 2.8Å; F662-V665 PolarHBondContact O-N 3.31Å; F662-Q666 HydrophobicContact CD1-CG 4.01Å; F662-Q666 HydrophobicContact CE1-CG 3.71Å; F662-Q666 HydrophobicContact CZ-CG 4.09Å; F662-Q666 WeakPolarHBondContact O-CB 3.44Å; F662-Q666 PolarHBondContact O-N 3.5Å |
| 663 | H | 66.2 | Low | 66.7 | Low | 103 Ų | 103 | 99.3 Ų | 99.3 | 48% | 0.477 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 175.7 | 69.4 | -86.7 | 0 | 0 | 0 | 112.2 | E660 Y661 N667 | E660-H663 PolarHBondContact O-CE1 2.89Å; E660-H663 PolarHBondContact O-ND1 3.34Å; Y661-H663 PolarHBondContact O-N 3.35Å; H663-N667 VanDerWaalsContact O-CB 3.24Å; H663-N667 WeakPolarHBondContact O-CB 3.49Å; H663-N667 PolarHBondContact O-N 3.32Å; H663-N667 PolarHBondContact O-ND2 3.46Å |
| 664 | I | 62.5 | Low | 65.1 | Low | 76 Ų | 76 | 101.6 Ų | 101.6 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.6 | -42.5 | 174.9 | -54.3 | -164.4 | 0 | 0 | 0 | 110.1 | Y661 F662 N667 L668 | Y661-I664 HydrophobicContact CD1-CD1 3.74Å; Y661-I664 HydrophobicContact CD1-CG1 4.39Å; Y661-I664 HydrophobicContact CE1-CD1 4.17Å; Y661-I664 WeakPolarHBondContact O-CA 3.24Å; Y661-I664 WeakPolarHBondContact O-CB 3.26Å; Y661-I664 PolarHBondContact O-N 2.83Å; F662-I664 VanDerWaalsContact C-N 3.31Å; F662-I664 PolarHBondContact O-N 2.8Å; I664-N667 PolarHBondContact O-N 3.41Å; I664-L668 HydrophobicContact CG2-CD1 4.38Å; I664-L668 WeakPolarHBondContact O-CB 3.42Å; I664-L668 PolarHBondContact O-N 3.3Å |
| 665 | V | 57.9 | Low | 63.7 | Low | 60 Ų | 60 | 101 Ų | 101 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | Y661 F662 N667 L668 F669 | Y661-V665 PolarHBondContact O-N 3.15Å; Y661-V665 VanDerWaalsContact O-N 3.08Å; F662-V665 PolarHBondContact O-N 3.31Å; V665-N667 VanDerWaalsContact C-N 3.33Å; V665-N667 PolarHBondContact O-N 3.46Å; V665-L668 PolarHBondContact O-N 2.99Å; V665-F669 HydrophobicContact CG1-CD2 3.91Å; V665-F669 HydrophobicContact CG1-CE2 4.07Å; V665-F669 WeakPolarHBondContact O-CD2 3.41Å; V665-F669 PolarHBondContact O-N 3.5Å |
| 666 | Q | 58.5 | Low | 62.3 | Low | 74 Ų | 74 | 106.1 Ų | 106.1 | 35% | 0.346 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 173.3 | -82.6 | -166.1 | -20 | 0 | 0 | 112.2 | F662 F669 K670 | F662-Q666 HydrophobicContact CD1-CG 4.01Å; F662-Q666 HydrophobicContact CE1-CG 3.71Å; F662-Q666 HydrophobicContact CZ-CG 4.09Å; F662-Q666 WeakPolarHBondContact O-CB 3.44Å; F662-Q666 PolarHBondContact O-N 3.5Å; Q666-F669 PolarHBondContact O-N 3.31Å; Q666-K670 WeakPolarHBondContact O-CB 3.45Å; Q666-K670 WeakPolarHBondContact O-CG 3.45Å; Q666-K670 PolarHBondContact O-N 2.94Å |
| 667 | N | 60.8 | Low | 60.8 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 177.6 | -76.3 | -15 | 0 | 0 | 0 | 111.7 | H663 I664 V665 K670 C671 | H663-N667 VanDerWaalsContact O-CB 3.24Å; H663-N667 WeakPolarHBondContact O-CB 3.49Å; H663-N667 PolarHBondContact O-N 3.32Å; H663-N667 PolarHBondContact O-ND2 3.46Å; I664-N667 PolarHBondContact O-N 3.41Å; V665-N667 VanDerWaalsContact C-N 3.33Å; V665-N667 PolarHBondContact O-N 3.46Å; N667-K670 PolarHBondContact O-N 3.22Å; N667-C671 VanDerWaalsContact O-CB 3.28Å; N667-C671 WeakPolarHBondContact O-CB 3.28Å; N667-C671 PolarHBondContact O-N 3.03Å |
| 668 | L | 57 | Low | 59.2 | Low | 103 Ų | 103 | 107.9 Ų | 107.9 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 171.8 | -105.2 | 152.9 | 0 | 0 | 0 | 111.9 | I664 V665 C671 N672 | I664-L668 HydrophobicContact CG2-CD1 4.38Å; I664-L668 WeakPolarHBondContact O-CB 3.42Å; I664-L668 PolarHBondContact O-N 3.3Å; V665-L668 PolarHBondContact O-N 2.99Å; L668-C671 PolarHBondContact O-N 3.48Å; L668-N672 WeakPolarHBondContact O-CB 3.38Å; L668-N672 PolarHBondContact O-N 3.33Å |
| 669 | F | 57.6 | Low | 57.8 | Low | 144 Ų | 144 | 107.2 Ų | 107.2 | 63% | 0.632 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.5 | -37.8 | 174.7 | -93.4 | -78.9 | 0 | 0 | 0 | 112.9 | V665 Q666 R673 | V665-F669 HydrophobicContact CG1-CD2 3.91Å; V665-F669 HydrophobicContact CG1-CE2 4.07Å; V665-F669 WeakPolarHBondContact O-CD2 3.41Å; V665-F669 PolarHBondContact O-N 3.5Å; Q666-F669 PolarHBondContact O-N 3.31Å; F669-R673 PolarHBondContact O-N 3.36Å; F669-R673 VanDerWaalsContact O-N 3.15Å |
| 670 | K | 54 | Low | 56.1 | Low | 134 Ų | 134 | 112.7 Ų | 112.7 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.4 | -45.8 | 171.7 | -80.1 | 178.1 | 178.2 | 173 | 0 | 111 | Q666 N667 R673 T674 | Q666-K670 WeakPolarHBondContact O-CB 3.45Å; Q666-K670 WeakPolarHBondContact O-CG 3.45Å; Q666-K670 PolarHBondContact O-N 2.94Å; N667-K670 PolarHBondContact O-N 3.22Å; K670-R673 PolarHBondContact O-N 3.43Å; K670-T674 PolarHBondContact O-N 3.2Å; K670-T674 PolarHBondContact O-OG1 3.23Å |
| 671 | C | 52.6 | Low | 55 | Low | 73 Ų | 73 | 113.9 Ų | 113.9 | 49% | 0.493 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.3 | -42.6 | -178.1 | -146 | 0 | 0 | 0 | 0 | 111.8 | N667 L668 R673 T674 I675 | N667-C671 VanDerWaalsContact O-CB 3.28Å; N667-C671 WeakPolarHBondContact O-CB 3.28Å; N667-C671 PolarHBondContact O-N 3.03Å; L668-C671 PolarHBondContact O-N 3.48Å; C671-R673 VanDerWaalsContact C-N 3.34Å; C671-R673 PolarHBondContact O-N 3.19Å; C671-T674 WeakPolarHBondContact CA-OG1 3.46Å; C671-T674 PolarHBondContact O-N 3.32Å; C671-T674 PolarHBondContact O-OG1 3.43Å; C671-I675 WeakPolarHBondContact O-CG1 3.41Å; C671-I675 PolarHBondContact O-N 3.29Å |
| 672 | N | 52.3 | Low | 54 | Low | 100 Ų | 100 | 113.9 Ų | 113.9 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.1 | -30.4 | 175.8 | -90.6 | -12.3 | 0 | 0 | 0 | 113.5 | L668 I675 K676 | L668-N672 WeakPolarHBondContact O-CB 3.38Å; L668-N672 PolarHBondContact O-N 3.33Å; N672-I675 PolarHBondContact O-N 3.04Å; N672-K676 PolarHBondContact O-N 2.83Å |
| 673 | R | 50.8 | Low | 53.4 | Low | 177 Ų | 177 | 116.3 Ų | 116.3 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.2 | -34.4 | 173.2 | -85 | -171.9 | 172.2 | -176.5 | -0.9 | 113 | F669 K670 C671 I675 K676 S677 | F669-R673 PolarHBondContact O-N 3.36Å; F669-R673 VanDerWaalsContact O-N 3.15Å; K670-R673 PolarHBondContact O-N 3.43Å; C671-R673 VanDerWaalsContact C-N 3.34Å; C671-R673 PolarHBondContact O-N 3.19Å; R673-I675 PolarHBondContact O-N 3.04Å; R673-K676 PolarHBondContact O-N 3.39Å; R673-S677 PolarHBondContact O-N 3.01Å |
| 674 | T | 49.5 | Very low | 52.6 | Low | 82 Ų | 82 | 117.1 Ų | 117.1 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.4 | -24.4 | 172.4 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | K670 C671 S677 | K670-T674 PolarHBondContact O-N 3.2Å; K670-T674 PolarHBondContact O-OG1 3.23Å; C671-T674 WeakPolarHBondContact CA-OG1 3.46Å; C671-T674 PolarHBondContact O-N 3.32Å; C671-T674 PolarHBondContact O-OG1 3.43Å; T674-S677 PolarHBondContact O-OG 2.73Å |
| 675 | I | 52.8 | Low | 52 | Low | 108 Ų | 108 | 119.6 Ų | 119.6 | 55% | 0.554 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.4 | -39.1 | 173.4 | -64.9 | 165.8 | 0 | 0 | 0 | 110.8 | C671 N672 R673 K678 | C671-I675 WeakPolarHBondContact O-CG1 3.41Å; C671-I675 PolarHBondContact O-N 3.29Å; N672-I675 PolarHBondContact O-N 3.04Å; R673-I675 PolarHBondContact O-N 3.04Å; I675-K678 PolarHBondContact O-N 3.43Å |
| 676 | K | 47.9 | Very low | 51.6 | Low | 161 Ų | 161 | 123.6 Ų | 123.6 | 70% | 0.7 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73 | -28.1 | 176.8 | -82.6 | -172.2 | 173.8 | -176.1 | 0 | 114.4 | N672 R673 K678 S679 | N672-K676 PolarHBondContact O-N 2.83Å; R673-K676 PolarHBondContact O-N 3.39Å; K676-K678 PolarHBondContact O-N 3.44Å; K676-S679 PolarHBondContact O-N 3.12Å; K676-S679 PolarHBondContact O-OG 3.16Å |
| 677 | S | 48.6 | Very low | 51.1 | Low | 84 Ų | 84 | 127.1 Ų | 127.1 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -4.6 | 176 | 73.9 | 0 | 0 | 0 | 0 | 114 | R673 T674 | R673-S677 PolarHBondContact O-N 3.01Å; T674-S677 PolarHBondContact O-OG 2.73Å |
| 678 | K | 44.9 | Very low | 50.4 | Low | 187 Ų | 187 | 129.9 Ų | 129.9 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -1.9 | 172.7 | -83 | -173 | 173.9 | -176.7 | 0 | 113.3 | I675 K676 | I675-K678 PolarHBondContact O-N 3.43Å; K676-K678 PolarHBondContact O-N 3.44Å |
| 679 | S | 47 | Very low | 49.8 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 66% | 0.655 | S | S | * | * | trans | -111.6 | 14.7 | 179.1 | 82.8 | 0 | 0 | 0 | 0 | 114.1 | K676 | K676-S679 PolarHBondContact O-N 3.12Å; K676-S679 PolarHBondContact O-OG 3.16Å | ||
| 680 | Q | 40.2 | Very low | 49.1 | Very low | 240 Ų | 240 | 131.1 Ų | 131.1 | 100% | 1.122 | 66% | 0.657 | S | S | * | * | trans | -121.2 | 0 | 160.4 | -80.8 | -173.4 | -29.4 | 0 | 0 | 107 |
Retrieved 680 of 680 residues in 838 ms
(Link to these results)