| 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 | 54.4 | Low | 57.4 | Low | 193 Ų | 193 | 127.1 Ų | 127.1 | 95% | 0.951 | 59% | 0.587 | S | S | * | * | 0 | -19.2 | 0 | -59.5 | -136.9 | 87.6 | 0 | 0 | 115.1 | |||||
| 2 | Y | 51.8 | Low | 57.6 | Low | 179 Ų | 179 | 124.8 Ų | 124.8 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71 | -33 | -179.4 | -102.5 | -97.1 | 0 | 0 | 0 | 116 | Q5 R6 | Y2-Q5 PolarHBondContact O-N 2.93Å; Y2-R6 PolarHBondContact O-N 2.98Å |
| 3 | L | 52.3 | Low | 58.2 | Low | 146 Ų | 146 | 132.8 Ų | 132.8 | 76% | 0.764 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.9 | -43 | -178.3 | -92.9 | 135.8 | 0 | 0 | 0 | 112.7 | Q5 R6 V7 | L3-Q5 PolarHBondContact O-N 3.31Å; L3-R6 PolarHBondContact O-N 3.49Å; L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 3.49Å |
| 4 | L | 51.5 | Low | 58.5 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.7 | -40.5 | 177.7 | -85.2 | 159.1 | 0 | 0 | 0 | 112.6 | Y8 | L4-Y8 WeakPolarHBondContact O-CB 3.37Å; L4-Y8 PolarHBondContact O-N 2.89Å; L4-Y8 VanDerWaalsContact O-N 3.08Å |
| 5 | Q | 57 | Low | 58.2 | Low | 112 Ų | 112 | 123 Ų | 123 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.2 | -30.4 | 176.5 | -78.7 | -179.9 | -20.8 | 0 | 0 | 113.2 | Y2 L3 R9 | Y2-Q5 PolarHBondContact O-N 2.93Å; L3-Q5 PolarHBondContact O-N 3.31Å; Q5-R9 WeakPolarHBondContact O-CB 3.32Å; Q5-R9 PolarHBondContact O-N 3.45Å; Q5-R9 VanDerWaalsContact O-N 3.08Å |
| 6 | R | 61.4 | Low | 58 | Low | 183 Ų | 183 | 126 Ų | 126 | 69% | 0.691 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70 | -45.6 | 174.6 | -91.7 | -176.8 | 166.4 | -177 | -3.1 | 111.5 | Y2 L3 Y8 R9 H10 | Y2-R6 PolarHBondContact O-N 2.98Å; L3-R6 PolarHBondContact O-N 3.49Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-Y8 PolarHBondContact O-N 3.42Å; R6-R9 PolarHBondContact O-N 3.17Å; R6-H10 WeakPolarHBondContact O-CB 3.41Å; R6-H10 PolarHBondContact O-N 3.02Å |
| 7 | V | 60.5 | Low | 58 | Low | 98 Ų | 98 | 120.7 Ų | 120.7 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.7 | -42.3 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | L3 H10 A11 | L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 3.49Å; V7-H10 WeakPolarHBondContact O-CB 3.34Å; V7-H10 PolarHBondContact O-N 3.37Å; V7-A11 WeakPolarHBondContact O-CB 3.43Å; V7-A11 PolarHBondContact O-N 3.2Å |
| 8 | Y | 57.2 | Low | 57.7 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 28% | 0.282 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -43.2 | 177.5 | -153.2 | -100.4 | 0 | 0 | 0 | 112.8 | L4 R6 H10 A11 L12 I17 L34 Q35 R36 G37 | L4-Y8 WeakPolarHBondContact O-CB 3.37Å; L4-Y8 PolarHBondContact O-N 2.89Å; L4-Y8 VanDerWaalsContact O-N 3.08Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-Y8 PolarHBondContact O-N 3.42Å; Y8-H10 VanDerWaalsContact C-N 3.33Å; Y8-H10 PolarHBondContact O-N 2.9Å; Y8-A11 PolarHBondContact O-N 3.1Å; Y8-L12 HydrophobicContact CD1-CD1 3.9Å; Y8-L12 HydrophobicContact CE1-CD1 4.14Å; Y8-L12 WeakPolarHBondContact O-CG 3.49Å; Y8-L12 PolarHBondContact O-N 3.43Å; Y8-I17 HydrophobicContact CD2-CD1 4.15Å; Y8-I17 HydrophobicContact CE1-CD1 4.34Å; Y8-I17 HydrophobicContact CE2-CD1 3.84Å; Y8-L34 PolarHBondContact OH-O 3.03Å; Y8-Q35 WeakPolarHBondContact CE1-O 3.31Å; Y8-Q35 PolarHBondContact OH-O 3.46Å; Y8-R36 WeakPolarHBondContact OH-CA 3.02Å; Y8-G37 PolarHBondContact OH-N 2.99Å |
| 9 | R | 65.4 | Low | 57.2 | Low | 149 Ų | 149 | 120.2 Ų | 120.2 | 56% | 0.562 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.5 | -35 | 173.3 | -83.3 | -171.9 | -80.8 | -148.4 | -4.2 | 112.6 | Q5 R6 L12 R13 | Q5-R9 WeakPolarHBondContact O-CB 3.32Å; Q5-R9 PolarHBondContact O-N 3.45Å; Q5-R9 VanDerWaalsContact O-N 3.08Å; R6-R9 PolarHBondContact O-N 3.17Å; R9-L12 PolarHBondContact O-N 3.45Å; R9-R13 VanDerWaalsContact O-CB 3.32Å; R9-R13 WeakPolarHBondContact O-CB 3.4Å; R9-R13 PolarHBondContact O-N 3.34Å |
| 10 | H | 64.4 | Low | 56.9 | Low | 130 Ų | 130 | 119 Ų | 119 | 60% | 0.602 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68 | -41.4 | 175.7 | -143.2 | -93.7 | 0 | 0 | 0 | 111.4 | R6 V7 Y8 L12 R13 N14 | R6-H10 WeakPolarHBondContact O-CB 3.41Å; R6-H10 PolarHBondContact O-N 3.02Å; V7-H10 WeakPolarHBondContact O-CB 3.34Å; V7-H10 PolarHBondContact O-N 3.37Å; Y8-H10 VanDerWaalsContact C-N 3.33Å; Y8-H10 PolarHBondContact O-N 2.9Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-L12 PolarHBondContact O-N 3.38Å; H10-R13 PolarHBondContact O-N 3.06Å; H10-N14 PolarHBondContact CE1-ND2 2.97Å; H10-N14 VanDerWaalsContact CE1-ND2 3.34Å; H10-N14 PolarHBondContact ND1-ND2 3.14Å; H10-N14 WeakPolarHBondContact O-CB 3.43Å; H10-N14 PolarHBondContact O-N 2.99Å; H10-N14 PolarHBondContact O-ND2 3.1Å |
| 11 | A | 55.2 | Low | 56.6 | Low | 25 Ų | 25 | 114.7 Ų | 114.7 | 21% | 0.207 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -67 | -31.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V7 Y8 G15 Y16 I17 | V7-A11 WeakPolarHBondContact O-CB 3.43Å; V7-A11 PolarHBondContact O-N 3.2Å; Y8-A11 PolarHBondContact O-N 3.1Å; A11-G15 PolarHBondContact O-N 3.18Å; A11-Y16 PolarHBondContact O-N 3.43Å; A11-Y16 VanDerWaalsContact O-N 3.17Å; A11-I17 HydrophobicContact CB-CD1 3.76Å; A11-I17 HydrophobicContact CB-CG1 4.05Å; A11-I17 PolarHBondContact O-N 3.28Å |
| 12 | L | 60.4 | Low | 56.4 | Low | 100 Ų | 100 | 116 Ų | 116 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 170.3 | -78.2 | 164.3 | 0 | 0 | 0 | 111.9 | Y8 R9 H10 N14 G15 I17 | Y8-L12 HydrophobicContact CD1-CD1 3.9Å; Y8-L12 HydrophobicContact CE1-CD1 4.14Å; Y8-L12 WeakPolarHBondContact O-CG 3.49Å; Y8-L12 PolarHBondContact O-N 3.43Å; R9-L12 PolarHBondContact O-N 3.45Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-L12 PolarHBondContact O-N 3.38Å; L12-N14 VanDerWaalsContact C-N 3.33Å; L12-N14 PolarHBondContact O-N 2.79Å; L12-G15 PolarHBondContact O-N 3.2Å; L12-I17 HydrophobicContact CD2-CG2 4.28Å; L12-I17 HydrophobicContact CG-CD1 4.36Å |
| 13 | R | 65.2 | Low | 56.7 | Low | 229 Ų | 229 | 110.8 Ų | 110.8 | 86% | 0.864 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.2 | -28.7 | -176.8 | -152.9 | 177.2 | -164.2 | 171.5 | 3.4 | 113.2 | R9 H10 | R9-R13 VanDerWaalsContact O-CB 3.32Å; R9-R13 WeakPolarHBondContact O-CB 3.4Å; R9-R13 PolarHBondContact O-N 3.34Å; H10-R13 PolarHBondContact O-N 3.06Å |
| 14 | N | 61.8 | Low | 57.6 | Low | 88 Ų | 88 | 104.2 Ų | 104.2 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 7.9 | 177.1 | -69.1 | -81.7 | 0 | 0 | 0 | 113.1 | H10 L12 Y16 | H10-N14 PolarHBondContact CE1-ND2 2.97Å; H10-N14 VanDerWaalsContact CE1-ND2 3.34Å; H10-N14 PolarHBondContact ND1-ND2 3.14Å; H10-N14 WeakPolarHBondContact O-CB 3.43Å; H10-N14 PolarHBondContact O-N 2.99Å; H10-N14 PolarHBondContact O-ND2 3.1Å; L12-N14 VanDerWaalsContact C-N 3.33Å; L12-N14 PolarHBondContact O-N 2.79Å; N14-Y16 HydrophobicContact CB-CD2 3.58Å; N14-Y16 HydrophobicContact CB-CE2 3.92Å; N14-Y16 WeakPolarHBondContact O-CD2 3.47Å; N14-Y16 PolarHBondContact O-N 2.8Å |
| 15 | G | 54.7 | Low | 58.8 | Low | 30 Ų | 30 | 99.9 Ų | 99.9 | 31% | 0.309 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 2.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A11 L12 I17 S18 F19 | A11-G15 PolarHBondContact O-N 3.18Å; L12-G15 PolarHBondContact O-N 3.2Å; G15-I17 VanDerWaalsContact C-N 3.32Å; G15-I17 PolarHBondContact O-N 3.08Å; G15-S18 CarbonylContact O-C 3.29Å; G15-S18 WeakPolarHBondContact O-CA 3.49Å; G15-S18 WeakPolarHBondContact O-CB 3.41Å; G15-S18 PolarHBondContact O-N 2.83Å; G15-F19 PolarHBondContact O-N 3.47Å |
| 16 | Y | 55.2 | Low | 60 | Low | 171 Ų | 171 | 98.7 Ų | 98.7 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.6 | -37.1 | -179 | -83.5 | -89.9 | 0 | 0 | 0 | 112.7 | A11 N14 I20 | A11-Y16 PolarHBondContact O-N 3.43Å; A11-Y16 VanDerWaalsContact O-N 3.17Å; N14-Y16 HydrophobicContact CB-CD2 3.58Å; N14-Y16 HydrophobicContact CB-CE2 3.92Å; N14-Y16 WeakPolarHBondContact O-CD2 3.47Å; N14-Y16 PolarHBondContact O-N 2.8Å; Y16-I20 PolarHBondContact O-N 3.37Å |
| 17 | I | 57.8 | Low | 60.9 | Low | 36 Ų | 36 | 93.5 Ų | 93.5 | 19% | 0.185 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 172 | -81.8 | 169.1 | 0 | 0 | 0 | 110.8 | Y8 A11 L12 G15 F19 L21 | Y8-I17 HydrophobicContact CD2-CD1 4.15Å; Y8-I17 HydrophobicContact CE1-CD1 4.34Å; Y8-I17 HydrophobicContact CE2-CD1 3.84Å; A11-I17 HydrophobicContact CB-CD1 3.76Å; A11-I17 HydrophobicContact CB-CG1 4.05Å; A11-I17 PolarHBondContact O-N 3.28Å; L12-I17 HydrophobicContact CD2-CG2 4.28Å; L12-I17 HydrophobicContact CG-CD1 4.36Å; G15-I17 VanDerWaalsContact C-N 3.32Å; G15-I17 PolarHBondContact O-N 3.08Å; I17-F19 PolarHBondContact O-N 2.94Å; I17-L21 HydrophobicContact CG2-CD1 3.61Å; I17-L21 WeakPolarHBondContact O-CD1 3.29Å; I17-L21 PolarHBondContact O-N 3.44Å |
| 18 | S | 52.1 | Low | 61.7 | Low | 65 Ų | 65 | 92.1 Ų | 92.1 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.5 | -34.2 | 178.6 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | G15 L21 R22 | G15-S18 CarbonylContact O-C 3.29Å; G15-S18 WeakPolarHBondContact O-CA 3.49Å; G15-S18 WeakPolarHBondContact O-CB 3.41Å; G15-S18 PolarHBondContact O-N 2.83Å; S18-L21 PolarHBondContact O-N 3.34Å; S18-R22 PolarHBondContact O-N 3.31Å; S18-R22 VanDerWaalsContact O-N 3.1Å |
| 19 | F | 48.3 | Very low | 62.8 | Low | 166 Ų | 166 | 89.4 Ų | 89.4 | 73% | 0.728 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -73.5 | -36.6 | 179.8 | -163.2 | -96.9 | 0 | 0 | 0 | 112.1 | G15 I17 S23 | G15-F19 PolarHBondContact O-N 3.47Å; I17-F19 PolarHBondContact O-N 2.94Å; F19-S23 PolarHBondContact O-N 2.87Å; F19-S23 PolarHBondContact O-OG 2.97Å |
| 20 | I | 51.9 | Low | 63.3 | Low | 97 Ų | 97 | 90.2 Ų | 90.2 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 171.2 | -63.6 | -172.9 | 0 | 0 | 0 | 110.7 | Y16 S24 F38 | Y16-I20 PolarHBondContact O-N 3.37Å; I20-S24 WeakPolarHBondContact O-CB 3.42Å; I20-S24 PolarHBondContact O-N 3.45Å; I20-S24 PolarHBondContact O-OG 3.08Å; I20-F38 HydrophobicContact CG2-CD1 4.22Å; I20-F38 HydrophobicContact CG2-CE1 3.86Å |
| 21 | L | 50.9 | Low | 63.9 | Low | 28 Ų | 28 | 86 Ų | 86 | 15% | 0.147 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 176.5 | -101 | 101.6 | 0 | 0 | 0 | 113.1 | I17 S18 C31 A33 F38 | I17-L21 HydrophobicContact CG2-CD1 3.61Å; I17-L21 WeakPolarHBondContact O-CD1 3.29Å; I17-L21 PolarHBondContact O-N 3.44Å; S18-L21 PolarHBondContact O-N 3.34Å; L21-C31 HydrophobicContact CB-CB 4.37Å; L21-C31 HydrophobicContact CD2-CB 4.06Å; L21-C31 HydrophobicContact CG-CB 4.4Å; L21-C31 VanDerWaalsContact CG-SG 3.55Å; L21-C31 WeakPolarHBondContact O-CB 3.18Å; L21-C31 PolarHBondContact O-SG 2.79Å; L21-A33 HydrophobicContact CD2-CB 3.88Å; L21-F38 HydrophobicContact CD1-CB 3.87Å; L21-F38 HydrophobicContact CD2-CB 4.24Å; L21-F38 HydrophobicContact CG-CB 3.71Å; L21-F38 HydrophobicContact CG-CG 4.41Å |
| 22 | R | 48.6 | Very low | 64.8 | Low | 220 Ų | 220 | 88.5 Ų | 88.5 | 83% | 0.83 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -74.3 | -31.1 | -176.2 | -94.3 | -177.5 | 175.2 | 176.6 | -1.4 | 114.4 | S18 | S18-R22 PolarHBondContact O-N 3.31Å; S18-R22 VanDerWaalsContact O-N 3.1Å |
| 23 | S | 59.7 | Low | 65.1 | Low | 70 Ų | 70 | 87 Ų | 87 | 49% | 0.49 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -94.9 | -9.1 | -177.9 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | F19 R50 | F19-S23 PolarHBondContact O-N 2.87Å; F19-S23 PolarHBondContact O-OG 2.97Å; S23-R50 PolarHBondContact O-NH2 3.04Å |
| 24 | S | 71.1 | Confident | 65.1 | Low | 9 Ų | 9 | 79.8 Ų | 79.8 | 6% | 0.063 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -79.6 | -44.6 | -172.9 | -69.9 | 0 | 0 | 0 | 0 | 113.2 | I20 Q26 F38 R50 | I20-S24 WeakPolarHBondContact O-CB 3.42Å; I20-S24 PolarHBondContact O-N 3.45Å; I20-S24 PolarHBondContact O-OG 3.08Å; S24-Q26 PolarHBondContact O-N 3.03Å; S24-F38 VanDerWaalsContact OG-CZ 3.26Å; S24-F38 WeakPolarHBondContact OG-CZ 3.46Å; S24-R50 WeakPolarHBondContact O-CB 3.48Å; S24-R50 VanDerWaalsContact O-CG 3.25Å; S24-R50 WeakPolarHBondContact O-CG 3.16Å; S24-R50 PolarHBondContact O-NE 3.21Å |
| 25 | C | 76.4 | Confident | 65.2 | Low | 20 Ų | 20 | 84.7 Ų | 84.7 | 14% | 0.135 | 45% | 0.447 | C | S | . | . | trans | -80.9 | 118.1 | -178.4 | -48.2 | 0 | 0 | 0 | 0 | 110.8 | G29 C31 C40 R50 | C25-G29 VanDerWaalsContact CB-O 3.29Å; C25-G29 WeakPolarHBondContact CB-O 3.07Å; C25-C31 VanDerWaalsContact SG-CA 3.56Å; C25-C31 VanDerWaalsContact SG-CB 3.5Å; C25-C31 PolarHBondContact SG-SG 3.46Å; C25-C40 WeakPolarHBondContact CA-SG 3.23Å; C25-C40 HydrophobicContact CB-CB 3.79Å; C25-C40 WeakPolarHBondContact CB-SG 3Å; C25-C40 WeakPolarHBondContact SG-CA 3.18Å; C25-C40 WeakPolarHBondContact SG-CB 3.43Å; C25-C40 CovalentContact SG-SG 2.02Å; C25-C40 PolarHBondContact SG-SG 3.31Å; C25-R50 CarbonylContact C-O 3.55Å; C25-R50 WeakPolarHBondContact CA-O 3.15Å | ||
| 26 | Q | 81.3 | Confident | 65.5 | Low | 87 Ų | 87 | 92.3 Ų | 92.3 | 41% | 0.407 | 47% | 0.467 | S | S | . | . | trans | -83.5 | 171 | 171.8 | -62.5 | -166.4 | -3.5 | 0 | 0 | 110.9 | S24 G28 G29 R50 C51 E52 | S24-Q26 PolarHBondContact O-N 3.03Å; Q26-G28 VanDerWaalsContact C-N 3.27Å; Q26-G28 PolarHBondContact O-N 3.04Å; Q26-G28 VanDerWaalsContact O-N 3.09Å; Q26-G29 PolarHBondContact O-N 3.49Å; Q26-R50 PolarHBondContact N-O 2.77Å; Q26-C51 WeakPolarHBondContact O-CB 3.34Å; Q26-E52 HydrophobicContact CG-CB 4.48Å | ||
| 27 | N | 80.3 | Confident | 66.1 | Low | 73 Ų | 73 | 86 Ų | 86 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.8 | 169.8 | -60.1 | -44.1 | 0 | 0 | 0 | 115.8 | G29 P43 F46 C51 E52 | N27-G29 VanDerWaalsContact C-N 3.31Å; N27-G29 PolarHBondContact O-N 3.09Å; N27-P43 WeakPolarHBondContact O-CG 3.26Å; N27-F46 HydrophobicContact CB-CD1 3.14Å; N27-F46 HydrophobicContact CB-CD2 4.48Å; N27-F46 HydrophobicContact CB-CE1 3.28Å; N27-F46 HydrophobicContact CB-CG 3.82Å; N27-F46 HydrophobicContact CB-CZ 4.01Å; N27-F46 VanDerWaalsContact CG-CD1 3.44Å; N27-F46 WeakPolarHBondContact ND2-CD1 3.48Å; N27-C51 WeakPolarHBondContact CB-O 3.34Å; N27-C51 PolarHBondContact ND2-O 3.22Å; N27-E52 PolarHBondContact ND2-O 3.43Å |
| 28 | G | 78 | Confident | 66.9 | Low | 69 Ų | 69 | 85.6 Ų | 85.6 | 71% | 0.711 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 13 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q26 | Q26-G28 VanDerWaalsContact C-N 3.27Å; Q26-G28 PolarHBondContact O-N 3.04Å; Q26-G28 VanDerWaalsContact O-N 3.09Å |
| 29 | G | 80.6 | Confident | 67.8 | Low | 15 Ų | 15 | 88.6 Ų | 88.6 | 16% | 0.155 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 136.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C25 Q26 N27 I41 | C25-G29 VanDerWaalsContact CB-O 3.29Å; C25-G29 WeakPolarHBondContact CB-O 3.07Å; Q26-G29 PolarHBondContact O-N 3.49Å; N27-G29 VanDerWaalsContact C-N 3.31Å; N27-G29 PolarHBondContact O-N 3.09Å; G29-I41 CarbonylContact C-O 3.57Å; G29-I41 VanDerWaalsContact CA-O 3.31Å; G29-I41 WeakPolarHBondContact CA-O 3.2Å |
| 30 | K | 76.3 | Confident | 69.3 | Low | 166 Ų | 166 | 81.6 Ų | 81.6 | 72% | 0.722 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.5 | 173 | -84.8 | -177.6 | 178.4 | 175.6 | 0 | 110.1 | I41 | K30-I41 HydrophobicContact CB-CB 4.37Å; K30-I41 PolarHBondContact N-O 2.03Å; K30-I41 PolarHBondContact O-N 3.27Å |
| 31 | C | 77 | Confident | 70.7 | Confident | 42 Ų | 42 | 81 Ų | 81 | 28% | 0.284 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 126 | 178.3 | -148.9 | 0 | 0 | 0 | 0 | 111 | L21 C25 F38 | L21-C31 HydrophobicContact CB-CB 4.37Å; L21-C31 HydrophobicContact CD2-CB 4.06Å; L21-C31 HydrophobicContact CG-CB 4.4Å; L21-C31 VanDerWaalsContact CG-SG 3.55Å; L21-C31 WeakPolarHBondContact O-CB 3.18Å; L21-C31 PolarHBondContact O-SG 2.79Å; C25-C31 VanDerWaalsContact SG-CA 3.56Å; C25-C31 VanDerWaalsContact SG-CB 3.5Å; C25-C31 PolarHBondContact SG-SG 3.46Å; C31-F38 WeakPolarHBondContact SG-CD2 3.4Å |
| 32 | Q | 73.1 | Confident | 71.9 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.8 | 176.1 | -170.8 | 173.8 | 27.6 | 0 | 0 | 109.9 | F38 R39 I41 | Q32-F38 WeakPolarHBondContact O-CA 3.46Å; Q32-R39 HydrophobicContact CB-CG 4.02Å; Q32-R39 PolarHBondContact N-O 3.27Å; Q32-R39 PolarHBondContact O-N 2.6Å; Q32-I41 HydrophobicContact CB-CD1 4.26Å; Q32-I41 HydrophobicContact CB-CG1 4.43Å |
| 33 | A | 67.5 | Low | 73.1 | Confident | 67 Ų | 67 | 73 Ų | 73 | 55% | 0.554 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L21 | L21-A33 HydrophobicContact CD2-CB 3.88Å |
| 34 | L | 64.5 | Low | 73.5 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 41% | 0.414 | 42% | 0.415 | S | S | . | . | trans | -111.7 | 164.2 | 173.9 | -64.3 | 172.9 | 0 | 0 | 0 | 109.7 | Y8 R36 G37 R39 | Y8-L34 PolarHBondContact OH-O 3.03Å; L34-R36 PolarHBondContact O-N 2.88Å; L34-R36 VanDerWaalsContact O-N 3.1Å; L34-G37 PolarHBondContact N-O 3.38Å; L34-R39 HydrophobicContact CD1-CB 4.06Å; L34-R39 HydrophobicContact CD1-CG 4.14Å; L34-R39 HydrophobicContact CD2-CG 4.49Å; L34-R39 HydrophobicContact CG-CG 4.35Å | ||
| 35 | Q | 64.9 | Low | 73.2 | Confident | 190 Ų | 190 | 77.5 Ų | 77.5 | 89% | 0.888 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -56 | -27.6 | 176.1 | -81.8 | -173.2 | -16.6 | 0 | 0 | 112.9 | Y8 | Y8-Q35 WeakPolarHBondContact CE1-O 3.31Å; Y8-Q35 PolarHBondContact OH-O 3.46Å |
| 36 | R | 60.5 | Low | 73.1 | Confident | 191 Ų | 191 | 79.1 Ų | 79.1 | 72% | 0.721 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -137.2 | 107 | 165.3 | -71.3 | -172.9 | 175.7 | -171.2 | 0.6 | 108.9 | Y8 L34 | Y8-R36 WeakPolarHBondContact OH-CA 3.02Å; L34-R36 PolarHBondContact O-N 2.88Å; L34-R36 VanDerWaalsContact O-N 3.1Å |
| 37 | G | 68.5 | Low | 72.5 | Confident | 38 Ų | 38 | 79.1 Ų | 79.1 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 95 | -155.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y8 L34 | Y8-G37 PolarHBondContact OH-N 2.99Å; L34-G37 PolarHBondContact N-O 3.38Å |
| 38 | F | 73.6 | Confident | 71.9 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 12% | 0.118 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 159.3 | -179.2 | 74.3 | -86.1 | 0 | 0 | 0 | 110.6 | I20 L21 S24 C31 Q32 Y49 | I20-F38 HydrophobicContact CG2-CD1 4.22Å; I20-F38 HydrophobicContact CG2-CE1 3.86Å; L21-F38 HydrophobicContact CD1-CB 3.87Å; L21-F38 HydrophobicContact CD2-CB 4.24Å; L21-F38 HydrophobicContact CG-CB 3.71Å; L21-F38 HydrophobicContact CG-CG 4.41Å; S24-F38 VanDerWaalsContact OG-CZ 3.26Å; S24-F38 WeakPolarHBondContact OG-CZ 3.46Å; C31-F38 WeakPolarHBondContact SG-CD2 3.4Å; Q32-F38 WeakPolarHBondContact O-CA 3.46Å; F38-Y49 HydrophobicContact CE1-CE1 4.31Å; F38-Y49 HydrophobicContact CE2-CE1 4.08Å; F38-Y49 AromaticContact CZ-CE1 3.6Å; F38-Y49 HydrophobicContact CZ-CE1 3.6Å; F38-Y49 AromaticContact CZ-CZ 3.84Å; F38-Y49 PolarHBondContact O-OH 3.06Å |
| 39 | R | 71.8 | Confident | 71.7 | Confident | 128 Ų | 128 | 80.9 Ų | 80.9 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.8 | 165.3 | 68.5 | 176.9 | -172.7 | 173.1 | 3.4 | 110.4 | Q32 L34 | Q32-R39 HydrophobicContact CB-CG 4.02Å; Q32-R39 PolarHBondContact N-O 3.27Å; Q32-R39 PolarHBondContact O-N 2.6Å; L34-R39 HydrophobicContact CD1-CB 4.06Å; L34-R39 HydrophobicContact CD1-CG 4.14Å; L34-R39 HydrophobicContact CD2-CG 4.49Å; L34-R39 HydrophobicContact CG-CG 4.35Å |
| 40 | C | 79.6 | Confident | 71.6 | Confident | 20 Ų | 20 | 84.5 Ų | 84.5 | 14% | 0.135 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.7 | 172.3 | -66.2 | 0 | 0 | 0 | 0 | 110.4 | C25 C51 | C25-C40 WeakPolarHBondContact CA-SG 3.23Å; C25-C40 HydrophobicContact CB-CB 3.79Å; C25-C40 WeakPolarHBondContact CB-SG 3Å; C25-C40 WeakPolarHBondContact SG-CA 3.18Å; C25-C40 WeakPolarHBondContact SG-CB 3.43Å; C25-C40 CovalentContact SG-SG 2.02Å; C25-C40 PolarHBondContact SG-SG 3.31Å; C40-C51 VanDerWaalsContact CB-SG 3.51Å |
| 41 | I | 79.9 | Confident | 71.8 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 107.7 | 167.6 | -55.2 | 179.3 | 0 | 0 | 0 | 106.6 | G29 K30 Q32 | G29-I41 CarbonylContact C-O 3.57Å; G29-I41 VanDerWaalsContact CA-O 3.31Å; G29-I41 WeakPolarHBondContact CA-O 3.2Å; K30-I41 HydrophobicContact CB-CB 4.37Å; K30-I41 PolarHBondContact N-O 2.03Å; K30-I41 PolarHBondContact O-N 3.27Å; Q32-I41 HydrophobicContact CB-CD1 4.26Å; Q32-I41 HydrophobicContact CB-CG1 4.43Å |
| 42 | C | 75.9 | Confident | 71.7 | Confident | 41 Ų | 41 | 77.5 Ų | 77.5 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 138.5 | -175.6 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | F46 C51 | C42-F46 HydrophobicContact CB-CB 4.25Å; C42-F46 VanDerWaalsContact CB-O 3.23Å; C42-F46 WeakPolarHBondContact CB-O 3.32Å; C42-C51 WeakPolarHBondContact CA-SG 3.03Å; C42-C51 HydrophobicContact CB-CB 3.76Å; C42-C51 WeakPolarHBondContact CB-SG 2.97Å; C42-C51 WeakPolarHBondContact SG-CA 3.4Å; C42-C51 WeakPolarHBondContact SG-CB 3.29Å; C42-C51 CovalentContact SG-SG 2.03Å; C42-C51 PolarHBondContact SG-SG 2.02Å |
| 43 | P | 74.9 | Confident | 71.5 | Confident | 38 Ų | 38 | 78.8 Ų | 78.8 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 160.4 | 170.1 | 24.7 | -29.3 | 0 | 0 | 0 | 110.9 | N27 G45 F46 | N27-P43 WeakPolarHBondContact O-CG 3.26Å; P43-G45 PolarHBondContact O-N 2.73Å; P43-F46 HydrophobicContact CB-CD2 4.43Å; P43-F46 HydrophobicContact CG-CB 4.39Å; P43-F46 HydrophobicContact CG-CD2 3.74Å; P43-F46 HydrophobicContact CG-CE2 4.41Å; P43-F46 HydrophobicContact CG-CG 4.3Å; P43-F46 PolarHBondContact O-N 3.43Å |
| 44 | P | 68.3 | Low | 71.2 | Confident | 127 Ų | 127 | 77 Ų | 77 | 83% | 0.825 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 130.9 | -179.6 | -25.8 | 33.9 | 0 | 0 | 0 | 112.2 | ||
| 45 | G | 64 | Low | 70.6 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -5.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P43 N55 | P43-G45 PolarHBondContact O-N 2.73Å; G45-N55 WeakPolarHBondContact O-CA 3.39Å; G45-N55 PolarHBondContact O-N 3.23Å |
| 46 | F | 74.5 | Confident | 69.7 | Low | 53 Ų | 53 | 72.1 Ų | 72.1 | 23% | 0.232 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 146.7 | 175.6 | -63.8 | -91.9 | 0 | 0 | 0 | 111.7 | N27 C42 P43 C51 F53 N55 | N27-F46 HydrophobicContact CB-CD1 3.14Å; N27-F46 HydrophobicContact CB-CD2 4.48Å; N27-F46 HydrophobicContact CB-CE1 3.28Å; N27-F46 HydrophobicContact CB-CG 3.82Å; N27-F46 HydrophobicContact CB-CZ 4.01Å; N27-F46 VanDerWaalsContact CG-CD1 3.44Å; N27-F46 WeakPolarHBondContact ND2-CD1 3.48Å; C42-F46 HydrophobicContact CB-CB 4.25Å; C42-F46 VanDerWaalsContact CB-O 3.23Å; C42-F46 WeakPolarHBondContact CB-O 3.32Å; P43-F46 HydrophobicContact CB-CD2 4.43Å; P43-F46 HydrophobicContact CG-CB 4.39Å; P43-F46 HydrophobicContact CG-CD2 3.74Å; P43-F46 HydrophobicContact CG-CE2 4.41Å; P43-F46 HydrophobicContact CG-CG 4.3Å; P43-F46 PolarHBondContact O-N 3.43Å; F46-C51 HydrophobicContact CB-CB 4.34Å; F46-F53 CarbonylContact C-O 3.54Å; F46-F53 WeakPolarHBondContact CA-O 3.39Å; F46-N55 WeakPolarHBondContact CE1-OD1 3.44Å; F46-N55 WeakPolarHBondContact CZ-OD1 3.45Å |
| 47 | F | 69.9 | Low | 69 | Low | 87 Ų | 87 | 72.8 Ų | 72.8 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 174.1 | -176.8 | 60.2 | -86.4 | 0 | 0 | 0 | 111.6 | C51 E52 F53 | F47-C51 CarbonylContact O-C 3.49Å; F47-C51 VanDerWaalsContact O-C 3.29Å; F47-C51 VanDerWaalsContact O-CA 3.29Å; F47-C51 WeakPolarHBondContact O-CA 3.19Å; F47-E52 PolarHBondContact O-N 3.18Å; F47-F53 HydrophobicContact CD1-CB 4.15Å; F47-F53 HydrophobicContact CD2-CB 3.6Å; F47-F53 AromaticContact CD2-CD2 3.89Å; F47-F53 HydrophobicContact CD2-CD2 3.89Å; F47-F53 HydrophobicContact CD2-CG 4.11Å; F47-F53 HydrophobicContact CE1-CB 3.94Å; F47-F53 HydrophobicContact CE2-CB 3.36Å; F47-F53 AromaticContact CE2-CD2 3.95Å; F47-F53 HydrophobicContact CE2-CD2 3.95Å; F47-F53 AromaticContact CE2-CG 3.83Å; F47-F53 HydrophobicContact CE2-CG 3.83Å; F47-F53 HydrophobicContact CG-CB 3.99Å; F47-F53 HydrophobicContact CZ-CB 3.55Å; F47-F53 HydrophobicContact CZ-CG 4.39Å; F47-F53 PolarHBondContact N-O 2.7Å; F47-F53 WeakPolarHBondContact O-CB 3.23Å; F47-F53 PolarHBondContact O-N 2.72Å |
| 48 | G | 67.2 | Low | 68 | Low | 34 Ų | 34 | 74.1 Ų | 74.1 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 103.5 | 166.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R50 C51 E52 | G48-R50 PolarHBondContact O-N 2.7Å; G48-C51 PolarHBondContact O-N 2.75Å; G48-C51 VanDerWaalsContact O-N 3.16Å; G48-E52 VanDerWaalsContact C-OE2 3.24Å; G48-E52 WeakPolarHBondContact CA-OE2 3.25Å |
| 49 | Y | 74.1 | Confident | 66.7 | Low | 146 Ų | 146 | 82 Ų | 82 | 57% | 0.573 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.4 | -177.3 | 177.7 | -112.9 | 0 | 0 | 0 | 112.1 | F38 E52 | F38-Y49 HydrophobicContact CE1-CE1 4.31Å; F38-Y49 HydrophobicContact CE2-CE1 4.08Å; F38-Y49 AromaticContact CZ-CE1 3.6Å; F38-Y49 HydrophobicContact CZ-CE1 3.6Å; F38-Y49 AromaticContact CZ-CZ 3.84Å; F38-Y49 PolarHBondContact O-OH 3.06Å; Y49-E52 PolarHBondContact N-OE2 3.31Å |
| 50 | R | 78.6 | Confident | 65.7 | Low | 91 Ų | 91 | 79 Ų | 79 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 13.1 | -179.1 | -72 | -178.9 | 70.6 | 176.7 | 3.2 | 111.6 | S23 S24 C25 Q26 G48 E52 | S23-R50 PolarHBondContact O-NH2 3.04Å; S24-R50 WeakPolarHBondContact O-CB 3.48Å; S24-R50 VanDerWaalsContact O-CG 3.25Å; S24-R50 WeakPolarHBondContact O-CG 3.16Å; S24-R50 PolarHBondContact O-NE 3.21Å; C25-R50 CarbonylContact C-O 3.55Å; C25-R50 WeakPolarHBondContact CA-O 3.15Å; Q26-R50 PolarHBondContact N-O 2.77Å; G48-R50 PolarHBondContact O-N 2.7Å; R50-E52 VanDerWaalsContact C-OE2 3.23Å; R50-E52 VanDerWaalsContact CA-OE2 3.23Å; R50-E52 WeakPolarHBondContact CA-OE2 3.4Å; R50-E52 HydrophobicContact CB-CB 4.42Å; R50-E52 WeakPolarHBondContact CB-OE2 3.36Å; R50-E52 PolarHBondContact N-OE2 2.71Å; R50-E52 PolarHBondContact O-N 3.16Å |
| 51 | C | 80.2 | Confident | 64.2 | Low | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 54.5 | 28.1 | -170.5 | -45 | 0 | 0 | 0 | 0 | 112.8 | Q26 N27 C40 C42 F46 F47 G48 F53 | Q26-C51 WeakPolarHBondContact O-CB 3.34Å; N27-C51 WeakPolarHBondContact CB-O 3.34Å; N27-C51 PolarHBondContact ND2-O 3.22Å; C40-C51 VanDerWaalsContact CB-SG 3.51Å; C42-C51 WeakPolarHBondContact CA-SG 3.03Å; C42-C51 HydrophobicContact CB-CB 3.76Å; C42-C51 WeakPolarHBondContact CB-SG 2.97Å; C42-C51 WeakPolarHBondContact SG-CA 3.4Å; C42-C51 WeakPolarHBondContact SG-CB 3.29Å; C42-C51 CovalentContact SG-SG 2.03Å; C42-C51 PolarHBondContact SG-SG 2.02Å; F46-C51 HydrophobicContact CB-CB 4.34Å; F47-C51 CarbonylContact O-C 3.49Å; F47-C51 VanDerWaalsContact O-C 3.29Å; F47-C51 VanDerWaalsContact O-CA 3.29Å; F47-C51 WeakPolarHBondContact O-CA 3.19Å; G48-C51 PolarHBondContact O-N 2.75Å; G48-C51 VanDerWaalsContact O-N 3.16Å; C51-F53 VanDerWaalsContact C-N 3.25Å; C51-F53 PolarHBondContact O-N 2.84Å |
| 52 | E | 74.3 | Confident | 62.7 | Low | 61 Ų | 61 | 89.2 Ų | 89.2 | 29% | 0.285 | 46% | 0.463 | S | S | . | . | trans | -71.1 | -22.6 | -174.9 | 66.3 | -86.4 | -146.6 | 0 | 0 | 112.5 | Q26 N27 F47 G48 Y49 R50 | Q26-E52 HydrophobicContact CG-CB 4.48Å; N27-E52 PolarHBondContact ND2-O 3.43Å; F47-E52 PolarHBondContact O-N 3.18Å; G48-E52 VanDerWaalsContact C-OE2 3.24Å; G48-E52 WeakPolarHBondContact CA-OE2 3.25Å; Y49-E52 PolarHBondContact N-OE2 3.31Å; R50-E52 VanDerWaalsContact C-OE2 3.23Å; R50-E52 VanDerWaalsContact CA-OE2 3.23Å; R50-E52 WeakPolarHBondContact CA-OE2 3.4Å; R50-E52 HydrophobicContact CB-CB 4.42Å; R50-E52 WeakPolarHBondContact CB-OE2 3.36Å; R50-E52 PolarHBondContact N-OE2 2.71Å; R50-E52 PolarHBondContact O-N 3.16Å | ||
| 53 | F | 69.3 | Low | 61.8 | Low | 105 Ų | 105 | 89.3 Ų | 89.3 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.8 | 178.7 | -51.5 | -63 | 0 | 0 | 0 | 109.3 | F46 F47 C51 | F46-F53 CarbonylContact C-O 3.54Å; F46-F53 WeakPolarHBondContact CA-O 3.39Å; F47-F53 HydrophobicContact CD1-CB 4.15Å; F47-F53 HydrophobicContact CD2-CB 3.6Å; F47-F53 AromaticContact CD2-CD2 3.89Å; F47-F53 HydrophobicContact CD2-CD2 3.89Å; F47-F53 HydrophobicContact CD2-CG 4.11Å; F47-F53 HydrophobicContact CE1-CB 3.94Å; F47-F53 HydrophobicContact CE2-CB 3.36Å; F47-F53 AromaticContact CE2-CD2 3.95Å; F47-F53 HydrophobicContact CE2-CD2 3.95Å; F47-F53 AromaticContact CE2-CG 3.83Å; F47-F53 HydrophobicContact CE2-CG 3.83Å; F47-F53 HydrophobicContact CG-CB 3.99Å; F47-F53 HydrophobicContact CZ-CB 3.55Å; F47-F53 HydrophobicContact CZ-CG 4.39Å; F47-F53 PolarHBondContact N-O 2.7Å; F47-F53 WeakPolarHBondContact O-CB 3.23Å; F47-F53 PolarHBondContact O-N 2.72Å; C51-F53 VanDerWaalsContact C-N 3.25Å; C51-F53 PolarHBondContact O-N 2.84Å |
| 54 | G | 61.5 | Low | 61 | Low | 28 Ų | 28 | 89.2 Ų | 89.2 | 29% | 0.289 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A56 | G54-A56 PolarHBondContact O-N 3.31Å |
| 55 | N | 50.5 | Low | 60.9 | Low | 112 Ų | 112 | 83.3 Ų | 83.3 | 60% | 0.599 | 42% | 0.422 | S | S | * | . | trans | 39.3 | 35.4 | 154.3 | 51.7 | -43.2 | 0 | 0 | 0 | 115.5 | G45 F46 R57 | G45-N55 WeakPolarHBondContact O-CA 3.39Å; G45-N55 PolarHBondContact O-N 3.23Å; F46-N55 WeakPolarHBondContact CE1-OD1 3.44Å; F46-N55 WeakPolarHBondContact CZ-OD1 3.45Å; N55-R57 PolarHBondContact O-N 2.96Å | ||
| 56 | A | 46.7 | Very low | 61 | Low | 55 Ų | 55 | 85.8 Ų | 85.8 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | trans | -63.8 | 97 | 156 | 0 | 0 | 0 | 0 | 0 | 104.7 | G54 I58 | G54-A56 PolarHBondContact O-N 3.31Å; A56-I58 HydrophobicContact CB-CG1 4.29Å; A56-I58 PolarHBondContact O-N 3.24Å | ||
| 57 | R | 46 | Very low | 60.3 | Low | 206 Ų | 206 | 87.7 Ų | 87.7 | 78% | 0.777 | 45% | 0.445 | S | S | * | . | trans | -46.5 | 99.9 | 142.4 | -72.4 | -178.2 | 178.9 | -171.1 | -0.4 | 103.8 | N55 R59 | N55-R57 PolarHBondContact O-N 2.96Å; R57-R59 PolarHBondContact O-N 2.79Å | ||
| 58 | I | 47.2 | Very low | 59.8 | Low | 65 Ų | 65 | 86.1 Ų | 86.1 | 33% | 0.333 | 44% | 0.441 | S | S | . | . | trans | -70.6 | 91.7 | 171.2 | -66.1 | -171 | 0 | 0 | 0 | 103.2 | A56 L60 F92 | A56-I58 HydrophobicContact CB-CG1 4.29Å; A56-I58 PolarHBondContact O-N 3.24Å; I58-L60 VanDerWaalsContact C-N 3.29Å; I58-L60 HydrophobicContact CG2-CD2 4.14Å; I58-L60 HydrophobicContact CG2-CG 4.47Å; I58-L60 PolarHBondContact O-N 2.77Å; I58-L60 VanDerWaalsContact O-N 3.12Å; I58-F92 HydrophobicContact CD1-CD2 4.2Å; I58-F92 HydrophobicContact CD1-CE2 4.48Å | ||
| 59 | R | 46.2 | Very low | 59.9 | Low | 193 Ų | 193 | 88.6 Ų | 88.6 | 73% | 0.728 | 45% | 0.451 | S | S | * | . | trans | -63.1 | 105.7 | 152.1 | -74.3 | -166.6 | 136.7 | -172.9 | -5.5 | 104.2 | R57 A61 E88 | R57-R59 PolarHBondContact O-N 2.79Å; R59-A61 PolarHBondContact O-N 2.95Å; R59-E88 WeakPolarHBondContact CA-O 3.46Å | ||
| 60 | L | 50.1 | Low | 59.5 | Low | 66 Ų | 66 | 82 Ų | 82 | 35% | 0.346 | 43% | 0.426 | S | S | . | . | trans | -53.6 | 113.7 | 163.7 | -68.8 | 170.1 | 0 | 0 | 0 | 105.1 | I58 W62 P64 F82 | I58-L60 VanDerWaalsContact C-N 3.29Å; I58-L60 HydrophobicContact CG2-CD2 4.14Å; I58-L60 HydrophobicContact CG2-CG 4.47Å; I58-L60 PolarHBondContact O-N 2.77Å; I58-L60 VanDerWaalsContact O-N 3.12Å; L60-W62 VanDerWaalsContact CB-O 3.26Å; L60-W62 WeakPolarHBondContact CB-O 3.4Å; L60-W62 PolarHBondContact O-N 2.79Å; L60-W62 VanDerWaalsContact O-N 3.13Å; L60-P64 HydrophobicContact CD1-CG 4.06Å; L60-F82 HydrophobicContact CD1-CD1 4.34Å; L60-F82 HydrophobicContact CD1-CE1 3.89Å; L60-F82 HydrophobicContact CG-CE1 4.31Å | ||
| 61 | A | 49.4 | Very low | 59 | Low | 118 Ų | 118 | 80.6 Ų | 80.6 | 98% | 0.975 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -64.7 | -11.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R59 | R59-A61 PolarHBondContact O-N 2.95Š|
| 62 | W | 48.6 | Very low | 58.4 | Low | 200 Ų | 200 | 86.4 Ų | 86.4 | 76% | 0.758 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -105.1 | 133.1 | 172 | -176.6 | -62.7 | 0 | 0 | 0 | 109.2 | L60 P64 | L60-W62 VanDerWaalsContact CB-O 3.26Å; L60-W62 WeakPolarHBondContact CB-O 3.4Å; L60-W62 PolarHBondContact O-N 2.79Å; L60-W62 VanDerWaalsContact O-N 3.13Å; W62-P64 WeakPolarHBondContact O-CD 3.24Å |
| 63 | D | 57.6 | Low | 58.3 | Low | 43 Ų | 43 | 89.7 Ų | 89.7 | 23% | 0.23 | 48% | 0.484 | C | S | . | . | trans | -79.2 | 102.9 | 171.5 | -177.3 | -18.2 | 0 | 0 | 0 | 110 | C65 T66 N68 H86 | D63-C65 PolarHBondContact O-N 3.31Å; D63-C65 WeakPolarHBondContact OD1-CA 3.12Å; D63-C65 VanDerWaalsContact OD1-CB 3.23Å; D63-C65 WeakPolarHBondContact OD1-CB 3.41Å; D63-C65 PolarHBondContact OD1-N 3.24Å; D63-T66 PolarHBondContact O-N 3.04Å; D63-T66 PolarHBondContact O-OG1 3.5Å; D63-N68 WeakPolarHBondContact OD2-CB 3.29Å; D63-N68 PolarHBondContact OD2-ND2 3.33Å; D63-H86 IonicContact OD2-CG 3.83Å; D63-H86 IonicContact OD2-ND1 3.91Å | ||
| 64 | P | 57.5 | Low | 58.2 | Low | 36 Ų | 36 | 85.4 Ų | 85.4 | 23% | 0.234 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -5.8 | -177.2 | 32.4 | -38.5 | 0 | 0 | 0 | 113.1 | L60 W62 H86 C87 V102 | L60-P64 HydrophobicContact CD1-CG 4.06Å; W62-P64 WeakPolarHBondContact O-CD 3.24Å; P64-H86 VanDerWaalsContact CD-O 3.26Å; P64-H86 WeakPolarHBondContact CD-O 3.36Å; P64-H86 WeakPolarHBondContact CG-O 3.26Å; P64-C87 HydrophobicContact CG-CB 3.94Å; P64-V102 HydrophobicContact CB-CB 4.32Å; P64-V102 HydrophobicContact CB-CG1 4.08Å; P64-V102 HydrophobicContact CB-CG2 3.83Å |
| 65 | C | 65.8 | Low | 58.8 | Low | 3 Ų | 3 | 89.5 Ų | 89.5 | 2% | 0.02 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 19.9 | -178.6 | -54 | 0 | 0 | 0 | 0 | 112.7 | D63 P67 N68 C76 H86 | D63-C65 PolarHBondContact O-N 3.31Å; D63-C65 WeakPolarHBondContact OD1-CA 3.12Å; D63-C65 VanDerWaalsContact OD1-CB 3.23Å; D63-C65 WeakPolarHBondContact OD1-CB 3.41Å; D63-C65 PolarHBondContact OD1-N 3.24Å; C65-P67 CarbonylContact O-C 3.44Å; C65-N68 PolarHBondContact O-N 2.75Å; C65-C76 HydrophobicContact CB-CB 3.71Å; C65-C76 WeakPolarHBondContact CB-SG 3.5Å; C65-C76 WeakPolarHBondContact SG-CB 3.31Å; C65-C76 CovalentContact SG-SG 2Å; C65-C76 PolarHBondContact SG-SG 3.49Å; C65-H86 VanDerWaalsContact SG-C 3.57Å |
| 66 | T | 65.3 | Low | 59.9 | Low | 99 Ų | 99 | 85.1 Ų | 85.1 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | trans | -73.8 | 127.1 | -178.1 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | D63 | D63-T66 PolarHBondContact O-N 3.04Å; D63-T66 PolarHBondContact O-OG1 3.5Å | ||
| 67 | P | 61.6 | Low | 61.5 | Low | 94 Ų | 94 | 88.5 Ų | 88.5 | 61% | 0.61 | 46% | 0.46 | S | S | * | . | S | Bend | cis | -80.5 | 132.1 | 9.1 | 31.7 | -32.9 | 0 | 0 | 0 | 112.8 | C65 P69 C70 | C65-P67 CarbonylContact O-C 3.44Å; P67-P69 CarbonylContact O-C 3.11Å; P67-C70 VanDerWaalsContact O-CA 3.23Å; P67-C70 WeakPolarHBondContact O-CA 3.5Å; P67-C70 PolarHBondContact O-N 2.81Å |
| 68 | N | 59.2 | Low | 62.9 | Low | 53 Ų | 53 | 80.4 Ų | 80.4 | 28% | 0.283 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -115.2 | 140.1 | -172.9 | -178.6 | 46.7 | 0 | 0 | 0 | 111.4 | D63 C65 H86 | D63-N68 WeakPolarHBondContact OD2-CB 3.29Å; D63-N68 PolarHBondContact OD2-ND2 3.33Å; C65-N68 PolarHBondContact O-N 2.75Å; N68-H86 PolarHBondContact ND2-CD2 2.9Å; N68-H86 PolarHBondContact ND2-CE1 2.98Å; N68-H86 PolarHBondContact ND2-ND1 2.89Å; N68-H86 VanDerWaalsContact ND2-ND1 3.16Å; N68-H86 PolarHBondContact ND2-NE2 3.16Å; N68-H86 PolarHBondContact OD1-CD2 3.28Å; N68-H86 PolarHBondContact OD1-NE2 2.96Å |
| 69 | P | 68 | Low | 64 | Low | 86 Ų | 86 | 78.3 Ų | 78.3 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | S | Bend | cis | -62.8 | 137.4 | -11.7 | 28.6 | -30.1 | 0 | 0 | 0 | 111.2 | P67 A71 | P67-P69 CarbonylContact O-C 3.11Å; P69-A71 PolarHBondContact O-N 3.4Å; P69-A71 VanDerWaalsContact O-N 3.08Å |
| 70 | C | 65.4 | Low | 65.2 | Low | 8 Ų | 8 | 75 Ų | 75 | 5% | 0.054 | 43% | 0.426 | C | S | . | . | trans | -38.8 | 118.7 | -179.9 | -69.7 | 0 | 0 | 0 | 0 | 109.2 | P67 G74 C104 | P67-C70 VanDerWaalsContact O-CA 3.23Å; P67-C70 WeakPolarHBondContact O-CA 3.5Å; P67-C70 PolarHBondContact O-N 2.81Å; C70-G74 PolarHBondContact O-N 3.33Å; C70-G74 VanDerWaalsContact O-N 3.14Å; C70-C104 HydrophobicContact CB-CB 3.87Å; C70-C104 WeakPolarHBondContact CB-SG 3.36Å; C70-C104 WeakPolarHBondContact SG-CB 3.23Å; C70-C104 CovalentContact SG-SG 2.07Å; C70-C104 PolarHBondContact SG-SG 3.27Å | ||
| 71 | A | 69.7 | Low | 65.9 | Low | 62 Ų | 62 | 75.4 Ų | 75.4 | 51% | 0.512 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 146.4 | -169 | 0 | 0 | 0 | 0 | 0 | 113.4 | P69 | P69-A71 PolarHBondContact O-N 3.4Å; P69-A71 VanDerWaalsContact O-N 3.08Å |
| 72 | N | 67.9 | Low | 67.1 | Low | 122 Ų | 122 | 71 Ų | 71 | 65% | 0.652 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 53.5 | -179.1 | -44.8 | -72.9 | 0 | 0 | 0 | 113.9 | G74 | N72-G74 PolarHBondContact O-N 3.39Å; N72-G74 VanDerWaalsContact O-N 3.09Å |
| 73 | D | 70.5 | Confident | 68.3 | Low | 129 Ų | 129 | 67.7 Ų | 67.7 | 69% | 0.69 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 30.9 | 178.8 | -61.6 | -50.4 | 0 | 0 | 0 | 113.6 | ||
| 74 | G | 67.6 | Low | 69 | Low | 16 Ų | 16 | 67.4 Ų | 67.4 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 149.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | C70 N72 | C70-G74 PolarHBondContact O-N 3.33Å; C70-G74 VanDerWaalsContact O-N 3.14Å; N72-G74 PolarHBondContact O-N 3.39Å; N72-G74 VanDerWaalsContact O-N 3.09Å |
| 75 | Y | 74.4 | Confident | 69.7 | Low | 114 Ų | 114 | 72.4 Ų | 72.4 | 45% | 0.447 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.9 | 169.2 | 69.9 | -81.8 | 0 | 0 | 0 | 110.3 | K77 S105 Q107 | Y75-K77 PolarHBondContact O-N 3.01Å; Y75-S105 WeakPolarHBondContact CD1-O 3.11Å; Y75-S105 WeakPolarHBondContact CE1-O 3.17Å; Y75-S105 PolarHBondContact N-O 2.86Å; Y75-S105 PolarHBondContact O-N 3.46Å; Y75-Q107 HydrophobicContact CD1-CG 3.87Å; Y75-Q107 HydrophobicContact CE1-CG 4.12Å |
| 76 | C | 74.2 | Confident | 70 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 13% | 0.128 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122.9 | 177.6 | -156.6 | 0 | 0 | 0 | 0 | 109.8 | C65 C78 | C65-C76 HydrophobicContact CB-CB 3.71Å; C65-C76 WeakPolarHBondContact CB-SG 3.5Å; C65-C76 WeakPolarHBondContact SG-CB 3.31Å; C65-C76 CovalentContact SG-SG 2Å; C65-C76 PolarHBondContact SG-SG 3.49Å; C76-C78 PolarHBondContact O-N 3.07Å |
| 77 | K | 78.9 | Confident | 70.4 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 107 | 173.5 | -166 | 177.4 | -179.1 | 179.3 | 0 | 108.6 | Y75 T103 | Y75-K77 PolarHBondContact O-N 3.01Å; K77-T103 WeakPolarHBondContact CB-O 3.5Å; K77-T103 PolarHBondContact N-O 3.12Å; K77-T103 PolarHBondContact O-N 2.94Å |
| 78 | C | 75.2 | Confident | 70.7 | Confident | 36 Ų | 36 | 68 Ų | 68 | 24% | 0.243 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 147.6 | -179.6 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | C76 F82 C87 | C76-C78 PolarHBondContact O-N 3.07Å; C78-F82 HydrophobicContact CB-CB 3.94Å; C78-F82 WeakPolarHBondContact CB-O 3.22Å; C78-C87 WeakPolarHBondContact CA-SG 3.26Å; C78-C87 HydrophobicContact CB-CB 3.79Å; C78-C87 WeakPolarHBondContact CB-SG 3.36Å; C78-C87 WeakPolarHBondContact SG-CA 3.36Å; C78-C87 WeakPolarHBondContact SG-CB 3.14Å; C78-C87 CovalentContact SG-SG 2.04Å; C78-C87 PolarHBondContact SG-SG 2.98Å |
| 79 | P | 71.2 | Confident | 71.3 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -59 | 162 | 167.1 | -19.3 | 31 | 0 | 0 | 0 | 111.2 | N81 F82 V102 | P79-N81 PolarHBondContact O-N 2.71Å; P79-F82 HydrophobicContact CB-CD2 4.01Å; P79-F82 HydrophobicContact CG-CD2 4.38Å; P79-F82 PolarHBondContact O-N 2.98Å; P79-V102 HydrophobicContact CG-CG2 3.56Å |
| 80 | T | 71.2 | Confident | 71.3 | Confident | 122 Ų | 122 | 63.1 Ų | 63.1 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 131.8 | 175.9 | -49.3 | 0 | 0 | 0 | 0 | 110.5 | F82 | T80-F82 VanDerWaalsContact C-N 3.32Å; T80-F82 PolarHBondContact O-N 3.49Å |
| 81 | N | 65.3 | Low | 71 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 11.7 | -177.4 | -47.9 | -43.4 | 0 | 0 | 0 | 116.5 | P79 W83 G90 T91 | P79-N81 PolarHBondContact O-N 2.71Å; N81-W83 WeakPolarHBondContact O-CZ3 3.45Å; N81-G90 CarbonylContact O-C 3.53Å; N81-G90 WeakPolarHBondContact O-CA 2.93Å; N81-T91 VanDerWaalsContact CB-O 3.24Å; N81-T91 WeakPolarHBondContact CB-O 2.98Å; N81-T91 PolarHBondContact O-N 2.83Å |
| 82 | F | 75.2 | Confident | 70.5 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 150.1 | 168.5 | -72.7 | -98.4 | 0 | 0 | 0 | 111.2 | L60 C78 P79 T80 C87 T89 F92 | L60-F82 HydrophobicContact CD1-CD1 4.34Å; L60-F82 HydrophobicContact CD1-CE1 3.89Å; L60-F82 HydrophobicContact CG-CE1 4.31Å; C78-F82 HydrophobicContact CB-CB 3.94Å; C78-F82 WeakPolarHBondContact CB-O 3.22Å; P79-F82 HydrophobicContact CB-CD2 4.01Å; P79-F82 HydrophobicContact CG-CD2 4.38Å; P79-F82 PolarHBondContact O-N 2.98Å; T80-F82 VanDerWaalsContact C-N 3.32Å; T80-F82 PolarHBondContact O-N 3.49Å; F82-C87 HydrophobicContact CB-CB 4.4Å; F82-C87 WeakPolarHBondContact CD1-O 3.11Å; F82-T89 CarbonylContact C-O 3.52Å; F82-T89 VanDerWaalsContact CA-O 3.29Å; F82-T89 WeakPolarHBondContact CA-O 3.01Å; F82-F92 HydrophobicContact CE1-CE2 4.3Å; F82-F92 HydrophobicContact CE2-CE1 4.21Å; F82-F92 HydrophobicContact CE2-CE2 4.14Å; F82-F92 AromaticContact CE2-CZ 3.8Å; F82-F92 HydrophobicContact CE2-CZ 3.8Å; F82-F92 HydrophobicContact CZ-CD2 4.22Å; F82-F92 HydrophobicContact CZ-CE1 4.25Å; F82-F92 AromaticContact CZ-CE2 3.4Å; F82-F92 HydrophobicContact CZ-CE2 3.4Å; F82-F92 VanDerWaalsContact CZ-CE2 3.4Å; F82-F92 AromaticContact CZ-CZ 3.41Å; F82-F92 HydrophobicContact CZ-CZ 3.41Å; F82-F92 VanDerWaalsContact CZ-CZ 3.41Å |
| 83 | W | 72.8 | Confident | 69.7 | Low | 131 Ų | 131 | 67.6 Ų | 67.6 | 50% | 0.496 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 175.9 | 178.2 | 66.6 | 90.9 | 0 | 0 | 0 | 110.9 | N81 C87 E88 T89 T91 | N81-W83 WeakPolarHBondContact O-CZ3 3.45Å; W83-C87 CarbonylContact O-C 3.47Å; W83-C87 WeakPolarHBondContact O-CA 3.05Å; W83-E88 PolarHBondContact O-N 3.13Å; W83-T89 HydrophobicContact CD2-CG2 4.23Å; W83-T89 VanDerWaalsContact CE2-CG2 3.4Å; W83-T89 HydrophobicContact CH2-CG2 4.36Å; W83-T89 HydrophobicContact CZ2-CG2 3.5Å; W83-T89 VanDerWaalsContact CZ2-CG2 3.5Å; W83-T89 PolarHBondContact N-O 3.39Å; W83-T89 PolarHBondContact O-N 3.45Å; W83-T89 VanDerWaalsContact O-N 3.07Å; W83-T91 HydrophobicContact CH2-CG2 3.61Å; W83-T91 HydrophobicContact CZ3-CG2 4Å |
| 84 | G | 71.9 | Confident | 68.3 | Low | 37 Ų | 37 | 67.3 Ų | 67.3 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 105.2 | 166.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111 | H86 C87 E88 | G84-H86 PolarHBondContact O-N 2.04Å; G84-C87 PolarHBondContact O-N 3.49Å; G84-E88 WeakPolarHBondContact CA-OE2 3.18Å |
| 85 | K | 73.3 | Confident | 67 | Low | 142 Ų | 142 | 74.4 Ų | 74.4 | 62% | 0.617 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -31.8 | -177.5 | -170.1 | -178.3 | 169.6 | -177.4 | 0 | 111.1 | E88 | K85-E88 PolarHBondContact N-OE2 2.66Š|
| 86 | H | 71.8 | Confident | 65.5 | Low | 52 Ų | 52 | 77 Ų | 77 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 22.4 | -176 | -45.1 | 154.7 | 0 | 0 | 0 | 110.8 | D63 P64 C65 N68 G84 E88 | D63-H86 IonicContact OD2-CG 3.83Å; D63-H86 IonicContact OD2-ND1 3.91Å; P64-H86 VanDerWaalsContact CD-O 3.26Å; P64-H86 WeakPolarHBondContact CD-O 3.36Å; P64-H86 WeakPolarHBondContact CG-O 3.26Å; C65-H86 VanDerWaalsContact SG-C 3.57Å; N68-H86 PolarHBondContact ND2-CD2 2.9Å; N68-H86 PolarHBondContact ND2-CE1 2.98Å; N68-H86 PolarHBondContact ND2-ND1 2.89Å; N68-H86 VanDerWaalsContact ND2-ND1 3.16Å; N68-H86 PolarHBondContact ND2-NE2 3.16Å; N68-H86 PolarHBondContact OD1-CD2 3.28Å; N68-H86 PolarHBondContact OD1-NE2 2.96Å; G84-H86 PolarHBondContact O-N 2.04Å; H86-E88 VanDerWaalsContact C-OE2 3.27Å; H86-E88 VanDerWaalsContact CA-OE2 3.31Å; H86-E88 WeakPolarHBondContact CA-OE2 3.19Å; H86-E88 PolarHBondContact N-OE2 2.91Å; H86-E88 PolarHBondContact O-N 2.75Å |
| 87 | C | 73.1 | Confident | 63.8 | Low | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | S | Bend | trans | 49.8 | 30.5 | -173.8 | -49 | 0 | 0 | 0 | 0 | 113.2 | P64 C78 F82 W83 G84 T89 | P64-C87 HydrophobicContact CG-CB 3.94Å; C78-C87 WeakPolarHBondContact CA-SG 3.26Å; C78-C87 HydrophobicContact CB-CB 3.79Å; C78-C87 WeakPolarHBondContact CB-SG 3.36Å; C78-C87 WeakPolarHBondContact SG-CA 3.36Å; C78-C87 WeakPolarHBondContact SG-CB 3.14Å; C78-C87 CovalentContact SG-SG 2.04Å; C78-C87 PolarHBondContact SG-SG 2.98Å; F82-C87 HydrophobicContact CB-CB 4.4Å; F82-C87 WeakPolarHBondContact CD1-O 3.11Å; W83-C87 CarbonylContact O-C 3.47Å; W83-C87 WeakPolarHBondContact O-CA 3.05Å; G84-C87 PolarHBondContact O-N 3.49Å; C87-T89 PolarHBondContact O-N 3.36Å |
| 88 | E | 69.2 | Low | 62.4 | Low | 49 Ų | 49 | 79.6 Ų | 79.6 | 23% | 0.229 | 42% | 0.417 | C | S | . | . | trans | -81.5 | -5.6 | -172.5 | 74.1 | -80.4 | -169 | 0 | 0 | 112.9 | R59 W83 G84 K85 H86 | R59-E88 WeakPolarHBondContact CA-O 3.46Å; W83-E88 PolarHBondContact O-N 3.13Å; G84-E88 WeakPolarHBondContact CA-OE2 3.18Å; K85-E88 PolarHBondContact N-OE2 2.66Å; H86-E88 VanDerWaalsContact C-OE2 3.27Å; H86-E88 VanDerWaalsContact CA-OE2 3.31Å; H86-E88 WeakPolarHBondContact CA-OE2 3.19Å; H86-E88 PolarHBondContact N-OE2 2.91Å; H86-E88 PolarHBondContact O-N 2.75Å | ||
| 89 | T | 70.7 | Confident | 60.9 | Low | 27 Ų | 27 | 84.1 Ų | 84.1 | 17% | 0.166 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.2 | 177.1 | -49.9 | 0 | 0 | 0 | 0 | 108.8 | F82 W83 C87 | F82-T89 CarbonylContact C-O 3.52Å; F82-T89 VanDerWaalsContact CA-O 3.29Å; F82-T89 WeakPolarHBondContact CA-O 3.01Å; W83-T89 HydrophobicContact CD2-CG2 4.23Å; W83-T89 VanDerWaalsContact CE2-CG2 3.4Å; W83-T89 HydrophobicContact CH2-CG2 4.36Å; W83-T89 HydrophobicContact CZ2-CG2 3.5Å; W83-T89 VanDerWaalsContact CZ2-CG2 3.5Å; W83-T89 PolarHBondContact N-O 3.39Å; W83-T89 PolarHBondContact O-N 3.45Å; W83-T89 VanDerWaalsContact O-N 3.07Å; C87-T89 PolarHBondContact O-N 3.36Å |
| 90 | G | 67.5 | Low | 59.7 | Low | 10 Ų | 10 | 89.3 Ų | 89.3 | 10% | 0.103 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 167.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N81 | N81-G90 CarbonylContact O-C 3.53Å; N81-G90 WeakPolarHBondContact O-CA 2.93Å |
| 91 | T | 60.7 | Low | 58.7 | Low | 58 Ų | 58 | 89.9 Ų | 89.9 | 36% | 0.356 | 45% | 0.454 | S | S | . | . | trans | -119.6 | 110.3 | 173.8 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | N81 W83 F93 | N81-T91 VanDerWaalsContact CB-O 3.24Å; N81-T91 WeakPolarHBondContact CB-O 2.98Å; N81-T91 PolarHBondContact O-N 2.83Å; W83-T91 HydrophobicContact CH2-CG2 3.61Å; W83-T91 HydrophobicContact CZ3-CG2 4Å; T91-F93 PolarHBondContact O-N 3.01Å | ||
| 92 | F | 59.2 | Low | 58.4 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 37% | 0.368 | 45% | 0.447 | S | S | . | . | trans | -77.3 | 105.2 | 168.3 | -84.2 | -74.4 | 0 | 0 | 0 | 109.7 | I58 F82 I98 | I58-F92 HydrophobicContact CD1-CD2 4.2Å; I58-F92 HydrophobicContact CD1-CE2 4.48Å; F82-F92 HydrophobicContact CE1-CE2 4.3Å; F82-F92 HydrophobicContact CE2-CE1 4.21Å; F82-F92 HydrophobicContact CE2-CE2 4.14Å; F82-F92 AromaticContact CE2-CZ 3.8Å; F82-F92 HydrophobicContact CE2-CZ 3.8Å; F82-F92 HydrophobicContact CZ-CD2 4.22Å; F82-F92 HydrophobicContact CZ-CE1 4.25Å; F82-F92 AromaticContact CZ-CE2 3.4Å; F82-F92 HydrophobicContact CZ-CE2 3.4Å; F82-F92 VanDerWaalsContact CZ-CE2 3.4Å; F82-F92 AromaticContact CZ-CZ 3.41Å; F82-F92 HydrophobicContact CZ-CZ 3.41Å; F82-F92 VanDerWaalsContact CZ-CZ 3.41Å; F92-I98 HydrophobicContact CD1-CD1 4.45Å; F92-I98 HydrophobicContact CE1-CB 4.43Å; F92-I98 HydrophobicContact CE1-CD1 3.33Å; F92-I98 HydrophobicContact CE1-CG1 3.66Å; F92-I98 HydrophobicContact CE1-CG2 3.94Å; F92-I98 HydrophobicContact CZ-CD1 3.51Å; F92-I98 HydrophobicContact CZ-CG1 4.28Å; F92-I98 HydrophobicContact CZ-CG2 4.27Å | ||
| 93 | F | 49.7 | Very low | 57.7 | Low | 145 Ų | 145 | 91.1 Ų | 91.1 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | trans | -85.4 | 115.7 | 150.8 | -63.7 | -82 | 0 | 0 | 0 | 106.1 | T91 E95 | T91-F93 PolarHBondContact O-N 3.01Å; F93-E95 PolarHBondContact O-N 3.35Å | ||
| 94 | C | 41 | Very low | 56.9 | Low | 122 Ų | 122 | 87.8 Ų | 87.8 | 82% | 0.824 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 78.5 | 171.3 | -74.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 95 | E | 40.8 | Very low | 56.3 | Low | 165 Ų | 165 | 88 Ų | 88 | 77% | 0.771 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | -1.5 | 162.1 | -153.3 | 103.6 | -153.5 | 0 | 0 | 112.4 | F93 | F93-E95 PolarHBondContact O-N 3.35Š|
| 96 | F | 42.2 | Very low | 55.2 | Low | 170 Ų | 170 | 88.5 Ų | 88.5 | 75% | 0.746 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -137.3 | 137.7 | 177 | -75 | -81 | 0 | 0 | 0 | 113.5 | I98 | F96-I98 PolarHBondContact O-N 2.99Š|
| 97 | P | 39.8 | Very low | 53.9 | Low | 115 Ų | 115 | 91.6 Ų | 91.6 | 75% | 0.747 | 47% | 0.474 | S | S | * | . | trans | -61.4 | 123.7 | 166.8 | 28 | -31 | 0 | 0 | 0 | 107.1 | E99 | P97-E99 VanDerWaalsContact C-N 3.27Å; P97-E99 PolarHBondContact O-N 3.09Å | ||
| 98 | I | 48.3 | Very low | 52.3 | Low | 84 Ų | 84 | 99.3 Ų | 99.3 | 43% | 0.431 | 52% | 0.515 | S | S | . | . | trans | -65 | 92.5 | 174.3 | -10.2 | 167.5 | 0 | 0 | 0 | 106.4 | F92 F96 N100 | F92-I98 HydrophobicContact CD1-CD1 4.45Å; F92-I98 HydrophobicContact CE1-CB 4.43Å; F92-I98 HydrophobicContact CE1-CD1 3.33Å; F92-I98 HydrophobicContact CE1-CG1 3.66Å; F92-I98 HydrophobicContact CE1-CG2 3.94Å; F92-I98 HydrophobicContact CZ-CD1 3.51Å; F92-I98 HydrophobicContact CZ-CG1 4.28Å; F92-I98 HydrophobicContact CZ-CG2 4.27Å; F96-I98 PolarHBondContact O-N 2.99Å; I98-N100 PolarHBondContact O-N 3.14Å | ||
| 99 | E | 44.5 | Very low | 50.8 | Low | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | trans | -62.9 | 96.8 | 154.8 | -82.9 | -162.3 | 169.6 | 0 | 0 | 105.3 | P97 K101 | P97-E99 VanDerWaalsContact C-N 3.27Å; P97-E99 PolarHBondContact O-N 3.09Å; E99-K101 HydrophobicContact CB-CG 4.47Å; E99-K101 PolarHBondContact O-N 2.07Å; E99-K101 IonicContact OE1-NZ 3.58Å; E99-K101 WeakPolarHBondContact OE2-CE 3.23Å; E99-K101 IonicContact OE2-NZ 2.75Å; E99-K101 PolarHBondContact OE2-NZ 2Å | ||
| 100 | N | 46.2 | Very low | 49.2 | Very low | 130 Ų | 130 | 106.1 Ų | 106.1 | 70% | 0.695 | 55% | 0.554 | S | S | * | * | trans | -66.5 | 57 | 177.5 | -73.4 | -32.7 | 0 | 0 | 0 | 111.2 | I98 V102 | I98-N100 PolarHBondContact O-N 3.14Å; N100-V102 PolarHBondContact O-N 3.42Å | ||
| 101 | K | 49.4 | Very low | 47.6 | Very low | 134 Ų | 134 | 112 Ų | 112 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | trans | -99.1 | 70.3 | 176.4 | -66.5 | -178.2 | -175.4 | 156.3 | 0 | 108.9 | E99 | E99-K101 HydrophobicContact CB-CG 4.47Å; E99-K101 PolarHBondContact O-N 2.07Å; E99-K101 IonicContact OE1-NZ 3.58Å; E99-K101 WeakPolarHBondContact OE2-CE 3.23Å; E99-K101 IonicContact OE2-NZ 2.75Å; E99-K101 PolarHBondContact OE2-NZ 2Å | ||
| 102 | V | 59.4 | Low | 46.3 | Very low | 45 Ų | 45 | 117.9 Ų | 117.9 | 27% | 0.273 | 60% | 0.603 | S | S | . | * | trans | -77.8 | 129.9 | 164.1 | -172.9 | 0 | 0 | 0 | 0 | 106.3 | P64 P79 N100 | P64-V102 HydrophobicContact CB-CB 4.32Å; P64-V102 HydrophobicContact CB-CG1 4.08Å; P64-V102 HydrophobicContact CB-CG2 3.83Å; P79-V102 HydrophobicContact CG-CG2 3.56Å; N100-V102 PolarHBondContact O-N 3.42Å | ||
| 103 | T | 60.2 | Low | 45.2 | Very low | 81 Ų | 81 | 121.1 Ų | 121.1 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.1 | 126.6 | -177.2 | -38.3 | 0 | 0 | 0 | 0 | 109.8 | K77 S105 | K77-T103 WeakPolarHBondContact CB-O 3.5Å; K77-T103 PolarHBondContact N-O 3.12Å; K77-T103 PolarHBondContact O-N 2.94Å; T103-S105 PolarHBondContact O-N 3.34Å |
| 104 | C | 55.9 | Low | 44.5 | Very low | 61 Ų | 61 | 122.7 Ų | 122.7 | 41% | 0.412 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.6 | 120.6 | 170 | -71.8 | 0 | 0 | 0 | 0 | 108.5 | C70 | C70-C104 HydrophobicContact CB-CB 3.87Å; C70-C104 WeakPolarHBondContact CB-SG 3.36Å; C70-C104 WeakPolarHBondContact SG-CB 3.23Å; C70-C104 CovalentContact SG-SG 2.07Å; C70-C104 PolarHBondContact SG-SG 3.27Å |
| 105 | S | 59.1 | Low | 44.3 | Very low | 42 Ų | 42 | 122.1 Ų | 122.1 | 29% | 0.294 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.3 | 169.1 | -97.5 | 0 | 0 | 0 | 0 | 108.5 | Y75 T103 Q107 | Y75-S105 WeakPolarHBondContact CD1-O 3.11Å; Y75-S105 WeakPolarHBondContact CE1-O 3.17Å; Y75-S105 PolarHBondContact N-O 2.86Å; Y75-S105 PolarHBondContact O-N 3.46Å; T103-S105 PolarHBondContact O-N 3.34Å; S105-Q107 PolarHBondContact O-N 3.07Å |
| 106 | K | 49.9 | Very low | 44.1 | Very low | 152 Ų | 152 | 119.6 Ų | 119.6 | 66% | 0.661 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.9 | 130.5 | 166.9 | -69 | -173.5 | 178.1 | -176.5 | 0 | 107 | N108 | K106-N108 PolarHBondContact O-N 2.69Å |
| 107 | Q | 45.3 | Very low | 43.9 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 54% | 0.542 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -55 | 142.7 | 159.9 | -96.1 | 166.2 | -14.2 | 0 | 0 | 107 | Y75 S105 V109 | Y75-Q107 HydrophobicContact CD1-CG 3.87Å; Y75-Q107 HydrophobicContact CE1-CG 4.12Å; S105-Q107 PolarHBondContact O-N 3.07Å; Q107-V109 HydrophobicContact CB-CG2 4.37Å; Q107-V109 PolarHBondContact O-N 2.72Å |
| 108 | N | 40 | Very low | 43.6 | Very low | 163 Ų | 163 | 123.3 Ų | 123.3 | 87% | 0.872 | 63% | 0.626 | S | S | * | * | trans | -61.8 | 73.8 | 158 | -76.2 | -35.8 | 0 | 0 | 0 | 106.9 | K106 I110 | K106-N108 PolarHBondContact O-N 2.69Å; N108-I110 PolarHBondContact O-N 2.72Å | ||
| 109 | V | 36.3 | Very low | 42.9 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | trans | -61.8 | 101.9 | 152.2 | -176.5 | 0 | 0 | 0 | 0 | 101 | Q107 L111 | Q107-V109 HydrophobicContact CB-CG2 4.37Å; Q107-V109 PolarHBondContact O-N 2.72Å; V109-L111 PolarHBondContact O-N 2.69Å | ||
| 110 | I | 38.4 | Very low | 42.9 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | trans | -45.9 | 102.5 | 156.1 | -58.5 | 166.9 | 0 | 0 | 0 | 101.7 | N108 F112 | N108-I110 PolarHBondContact O-N 2.72Å; I110-F112 PolarHBondContact O-N 3.08Å | ||
| 111 | L | 32.9 | Very low | 42.7 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 71% | 0.707 | 66% | 0.662 | S | S | * | * | trans | -54 | 98.9 | 157.6 | -95.1 | 116.4 | 0 | 0 | 0 | 101.2 | V109 K113 | V109-L111 PolarHBondContact O-N 2.69Å; L111-K113 HydrophobicContact CB-CG 4.11Å; L111-K113 HydrophobicContact CD2-CG 4.04Å; L111-K113 PolarHBondContact O-N 2.72Å | ||
| 112 | F | 35.1 | Very low | 42.3 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 79% | 0.789 | 67% | 0.666 | S | S | * | * | -51.1 | 76.4 | 121.5 | -67.3 | -82.4 | 0 | 0 | 0 | 104.2 | I110 H114 | I110-F112 PolarHBondContact O-N 3.08Å; F112-H114 PolarHBondContact O-N 2.85Å | |||
| 113 | K | 34.6 | Very low | 41.4 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 67% | 0.665 | 69% | 0.688 | S | S | * | * | trans | -42.6 | 108.7 | 138 | -86.4 | -177.8 | 174.3 | -178.9 | 0 | 99.1 | L111 T115 | L111-K113 HydrophobicContact CB-CG 4.11Å; L111-K113 HydrophobicContact CD2-CG 4.04Å; L111-K113 PolarHBondContact O-N 2.72Å; K113-T115 PolarHBondContact O-N 3.48Å; K113-T115 PolarHBondContact O-OG1 2.75Å | ||
| 114 | H | 35.7 | Very low | 40.3 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | trans | -52.8 | 78.9 | 142.1 | -81.6 | -127.2 | 0 | 0 | 0 | 104 | F112 V116 | F112-H114 PolarHBondContact O-N 2.85Å; H114-V116 PolarHBondContact O-N 3.39Å | ||
| 115 | T | 36.1 | Very low | 39.3 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | -53.2 | 103.6 | 150.8 | -54.8 | 0 | 0 | 0 | 0 | 100 | K113 F117 | K113-T115 PolarHBondContact O-N 3.48Å; K113-T115 PolarHBondContact O-OG1 2.75Å; T115-F117 VanDerWaalsContact C-N 3.31Å; T115-F117 PolarHBondContact O-N 2.64Å | ||
| 116 | V | 36.3 | Very low | 38 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 67% | 0.673 | 75% | 0.745 | S | S | * | * | trans | -35.5 | 109 | 162.3 | 173.7 | 0 | 0 | 0 | 0 | 104.6 | H114 L118 | H114-V116 PolarHBondContact O-N 3.39Å; V116-L118 PolarHBondContact O-N 2.8Å | ||
| 117 | F | 39.7 | Very low | 37.1 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -54.1 | 103.6 | 159.5 | -106.9 | -98.3 | 0 | 0 | 0 | 102.4 | T115 G119 | T115-F117 VanDerWaalsContact C-N 3.31Å; T115-F117 PolarHBondContact O-N 2.64Å; F117-G119 PolarHBondContact O-N 2.93Å | ||
| 118 | L | 32.4 | Very low | 36.5 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -62.1 | 76.4 | 150.1 | -72.4 | 171.1 | 0 | 0 | 0 | 104 | V116 V120 | V116-L118 PolarHBondContact O-N 2.8Å; L118-V120 PolarHBondContact O-N 2.83Å | ||
| 119 | G | 34.7 | Very low | 36.2 | Very low | 50 Ų | 50 | 143 Ų | 143 | 52% | 0.515 | 76% | 0.758 | S | S | . | * | trans | -74.5 | 112.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | F117 | F117-G119 PolarHBondContact O-N 2.93Š| ||
| 120 | V | 42.4 | Very low | 36.2 | Very low | 217 Ų | 217 | 148.2 Ų | 148.2 | 100% | 1.315 | 78% | 0.78 | S | S | * | * | trans | 65.2 | 0 | 150.5 | -158.7 | 0 | 0 | 0 | 0 | 116.2 | L118 | L118-V120 PolarHBondContact O-N 2.83Š|
Retrieved 120 of 120 residues in 88.2 ms
(Link to these results)