| 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 | 32.3 | Very low | 70.5 | Confident | 244 Ų | 244 | 80.8 Ų | 80.8 | 100% | 1.202 | 43% | 0.433 | S | S | * | . | 0 | 111.1 | 0 | -68.5 | -162.5 | 138 | 0 | 0 | 108 | R3 | M1-R3 PolarHBondContact O-N 3.24Š| |||
| 2 | S | 42.6 | Very low | 71.6 | Confident | 124 Ų | 124 | 81.8 Ų | 81.8 | 87% | 0.867 | 43% | 0.427 | S | S | * | . | trans | -70.5 | 112.7 | -178.1 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | S4 | S2-S4 PolarHBondContact O-N 3.28Š| ||
| 3 | R | 55.3 | Low | 72.5 | Confident | 218 Ų | 218 | 79.4 Ų | 79.4 | 82% | 0.823 | 42% | 0.418 | S | S | * | . | trans | -65.6 | 121.5 | 168.8 | -73.5 | -177.5 | 175.9 | 176.6 | -1.6 | 107.7 | M1 V5 | M1-R3 PolarHBondContact O-N 3.24Å; R3-V5 PolarHBondContact O-N 2.99Å | ||
| 4 | S | 66.5 | Low | 72.9 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | trans | -67.3 | 121.1 | 175.9 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | S2 L6 T34 | S2-S4 PolarHBondContact O-N 3.28Å; S4-L6 VanDerWaalsContact C-N 3.3Å; S4-L6 WeakPolarHBondContact CB-O 3.11Å; S4-L6 PolarHBondContact O-N 3.43Å; S4-T34 PolarHBondContact O-OG1 2.91Å | ||
| 5 | V | 77.3 | Confident | 73.2 | Confident | 12 Ų | 12 | 77.9 Ų | 77.9 | 7% | 0.073 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -66 | -35.7 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | R3 I33 T34 H36 L39 T95 F99 V102 | R3-V5 PolarHBondContact O-N 2.99Å; V5-I33 CarbonylContact O-C 3.58Å; V5-I33 VanDerWaalsContact O-CA 3.31Å; V5-I33 WeakPolarHBondContact O-CA 3.42Å; V5-T34 WeakPolarHBondContact CA-OG1 3.49Å; V5-T34 PolarHBondContact O-N 2.89Å; V5-H36 HydrophobicContact CG1-CB 4.2Å; V5-H36 HydrophobicContact CG2-CB 3.93Å; V5-L39 HydrophobicContact CG1-CD1 4.27Å; V5-L39 HydrophobicContact CG1-CD2 4.08Å; V5-T95 HydrophobicContact CG1-CG2 4.29Å; V5-F99 HydrophobicContact CG2-CD2 4.41Å; V5-F99 HydrophobicContact CG2-CE2 4.45Å; V5-V102 HydrophobicContact CB-CG1 4.07Å |
| 6 | L | 78.6 | Confident | 73.5 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.3 | 171.1 | -57.1 | 177.9 | 0 | 0 | 0 | 108.6 | S4 I33 L42 L93 T95 V102 L104 | S4-L6 VanDerWaalsContact C-N 3.3Å; S4-L6 WeakPolarHBondContact CB-O 3.11Å; S4-L6 PolarHBondContact O-N 3.43Å; L6-I33 HydrophobicContact CD2-CG2 3.51Å; L6-L42 HydrophobicContact CD2-CD2 3.78Å; L6-L93 HydrophobicContact CD1-CD2 4.34Å; L6-L93 HydrophobicContact CD2-CD2 3.88Å; L6-L93 HydrophobicContact CD2-CG 4.47Å; L6-T95 HydrophobicContact CD1-CG2 4.47Å; L6-T95 HydrophobicContact CD2-CG2 4.2Å; L6-T95 HydrophobicContact CG-CG2 4.3Å; L6-V102 HydrophobicContact CB-CG1 4.47Å; L6-V102 HydrophobicContact CD1-CG1 3.95Å; L6-V102 HydrophobicContact CG-CG1 3.82Å; L6-L104 HydrophobicContact CB-CD1 3.71Å; L6-L104 HydrophobicContact CB-CG 3.86Å; L6-L104 HydrophobicContact CD1-CG 4.08Å |
| 7 | E | 81.1 | Confident | 73.7 | Confident | 82 Ų | 82 | 78.6 Ų | 78.6 | 38% | 0.383 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -46.3 | -177.1 | -65 | -176.1 | 153.8 | 0 | 0 | 112.5 | S32 T34 Q73 | E7-S32 PolarHBondContact N-O 2.72Å; E7-T34 HydrophobicContact CG-CG2 4.22Å; E7-T34 WeakPolarHBondContact OE1-CG2 3.45Å; E7-Q73 WeakPolarHBondContact OE2-CG 3.29Å; E7-Q73 PolarHBondContact OE2-NE2 3.11Å |
| 8 | A | 82.9 | Confident | 74 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 142.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A31 S32 | A8-A31 WeakPolarHBondContact O-CA 3.26Å; A8-S32 PolarHBondContact N-O 2.71Å; A8-S32 PolarHBondContact O-N 3.03Å |
| 9 | L | 87.5 | Confident | 73.5 | Confident | 22 Ų | 22 | 82.4 Ų | 82.4 | 12% | 0.115 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.1 | 171.8 | -179.6 | 64.7 | 0 | 0 | 0 | 107.8 | V29 V91 L93 L104 Q106 | L9-V29 HydrophobicContact CD1-CG1 3.32Å; L9-V91 HydrophobicContact CD2-CG1 4.44Å; L9-L93 HydrophobicContact CD1-CB 4.11Å; L9-L93 HydrophobicContact CD1-CD2 4.18Å; L9-L93 HydrophobicContact CD2-CB 4.38Å; L9-L104 HydrophobicContact CB-CB 3.93Å; L9-L104 HydrophobicContact CB-CD1 3.84Å; L9-L104 HydrophobicContact CD2-CB 3.99Å; L9-Q106 HydrophobicContact CD2-CB 3.94Å |
| 10 | T | 86.2 | Confident | 73.3 | Confident | 47 Ų | 47 | 83.4 Ų | 83.4 | 29% | 0.288 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129.5 | 176.3 | 46.9 | 0 | 0 | 0 | 0 | 109 | R30 | T10-R30 PolarHBondContact N-O 3.24Å; T10-R30 PolarHBondContact O-N 3.42Å; T10-R30 WeakPolarHBondContact OG1-CB 3.38Å; T10-R30 PolarHBondContact OG1-NE 2.68Å; T10-R30 PolarHBondContact OG1-O 2.98Å; T10-R30 VanDerWaalsContact OG1-O 3.09Å |
| 11 | S | 85.4 | Confident | 72.7 | Confident | 17 Ų | 17 | 86 Ų | 86 | 12% | 0.119 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.4 | 177.6 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | R28 Q106 H108 | S11-R28 WeakPolarHBondContact CA-O 3.05Å; S11-Q106 PolarHBondContact OG-OE1 2.8Å; S11-H108 PolarHBondContact OG-ND1 2.83Å |
| 12 | Y | 82.9 | Confident | 74.5 | Confident | 93 Ų | 93 | 76.4 Ų | 76.4 | 37% | 0.365 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 147.3 | 178.5 | 61.4 | -86.3 | 0 | 0 | 0 | 110.7 | R28 R30 | Y12-R28 HydrophobicContact CD1-CB 4.38Å; Y12-R28 HydrophobicContact CD2-CB 4.13Å; Y12-R28 HydrophobicContact CE1-CB 3.94Å; Y12-R28 HydrophobicContact CE2-CB 3.68Å; Y12-R28 HydrophobicContact CE2-CG 4.21Å; Y12-R28 HydrophobicContact CG-CB 4.46Å; Y12-R28 PolarHBondContact N-O 2.95Å; Y12-R28 PolarHBondContact O-N 3.16Å; Y12-R28 WeakPolarHBondContact OH-CD 3.24Å; Y12-R30 HydrophobicContact CE1-CB 4.47Å |
| 13 | T | 83.3 | Confident | 76.1 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 31% | 0.307 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 135.8 | -179.8 | -47.5 | 0 | 0 | 0 | 0 | 109.9 | L25 H108 V110 | T13-L25 HydrophobicContact CG2-CB 4.49Å; T13-L25 HydrophobicContact CG2-CD2 4.11Å; T13-H108 PolarHBondContact OG1-NE2 3.11Å; T13-V110 HydrophobicContact CG2-CG1 3.97Å |
| 14 | A | 79 | Confident | 77.3 | Confident | 17 Ų | 17 | 67 Ų | 67 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F26 R28 | A14-F26 PolarHBondContact N-O 3.28Å; A14-F26 PolarHBondContact O-N 3.15Å; A14-F26 VanDerWaalsContact O-O 3.08Å; A14-R28 HydrophobicContact CB-CG 4.2Å |
| 15 | M | 77.8 | Confident | 78 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 59% | 0.591 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 137.2 | 174.6 | -172.5 | 178.7 | -70.9 | 0 | 0 | 109.3 | C23 S24 L25 | M15-C23 HydrophobicContact CG-CB 3.94Å; M15-C23 HydrophobicContact SD-CB 3.79Å; M15-S24 WeakPolarHBondContact CA-O 3.05Å; M15-L25 HydrophobicContact CB-CD2 4.01Å; M15-L25 HydrophobicContact CE-CD2 3.75Å; M15-L25 HydrophobicContact CG-CD2 4.23Å |
| 16 | Q | 77.8 | Confident | 78.5 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.8 | 171 | -174.8 | 173.7 | 9.4 | 0 | 0 | 108.4 | C23 S24 F26 | Q16-C23 WeakPolarHBondContact O-CA 3.47Å; Q16-S24 PolarHBondContact N-O 3.1Å; Q16-S24 PolarHBondContact O-N 3.22Å; Q16-F26 HydrophobicContact CB-CD2 3.89Å; Q16-F26 HydrophobicContact CB-CE2 3.79Å |
| 17 | C | 76.4 | Confident | 78.9 | Confident | 74 Ų | 74 | 66 Ų | 66 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.5 | 179.4 | -61.6 | 0 | 0 | 0 | 0 | 109.7 | C23 | C17-C23 HydrophobicContact CB-CB 4.08Å; C17-C23 WeakPolarHBondContact CB-SG 3.36Å; C17-C23 WeakPolarHBondContact SG-CB 3.25Å; C17-C23 CovalentContact SG-SG 2.04Å; C17-C23 PolarHBondContact SG-SG 3.29Å |
| 18 | I | 78.6 | Confident | 79.3 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 45% | 0.451 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.3 | 171.2 | -57.5 | 174.3 | 0 | 0 | 0 | 106.5 | S20 D21 G22 | I18-S20 PolarHBondContact O-N 3.45Å; I18-D21 HydrophobicContact CB-CB 4.45Å; I18-D21 PolarHBondContact O-N 2.77Å; I18-G22 PolarHBondContact N-O 2.93Å; I18-G22 PolarHBondContact O-N 2.04Å |
| 19 | P | 65.2 | Low | 79.6 | Confident | 141 Ų | 141 | 65 Ų | 65 | 92% | 0.916 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.1 | -172.6 | -27.6 | 33.8 | 0 | 0 | 0 | 115.4 | ||
| 20 | S | 69.1 | Low | 79.7 | Confident | 102 Ų | 102 | 68 Ų | 68 | 71% | 0.713 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -25.5 | -176.7 | 53.7 | 0 | 0 | 0 | 0 | 115.1 | I18 | I18-S20 PolarHBondContact O-N 3.45Š|
| 21 | D | 61.9 | Low | 79.8 | Confident | 139 Ų | 139 | 65.8 Ų | 65.8 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 8.5 | -168.6 | -89.1 | -23.9 | 0 | 0 | 0 | 114 | I18 | I18-D21 HydrophobicContact CB-CB 4.45Å; I18-D21 PolarHBondContact O-N 2.77Å |
| 22 | G | 69.2 | Low | 79.9 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83 | -163.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I18 | I18-G22 PolarHBondContact N-O 2.93Å; I18-G22 PolarHBondContact O-N 2.04Å |
| 23 | C | 76.6 | Confident | 80.2 | Confident | 77 Ų | 77 | 61 Ų | 61 | 52% | 0.52 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.3 | -173.4 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | M15 Q16 C17 | M15-C23 HydrophobicContact CG-CB 3.94Å; M15-C23 HydrophobicContact SD-CB 3.79Å; Q16-C23 WeakPolarHBondContact O-CA 3.47Å; C17-C23 HydrophobicContact CB-CB 4.08Å; C17-C23 WeakPolarHBondContact CB-SG 3.36Å; C17-C23 WeakPolarHBondContact SG-CB 3.25Å; C17-C23 CovalentContact SG-SG 2.04Å; C17-C23 PolarHBondContact SG-SG 3.29Å |
| 24 | S | 79.6 | Confident | 80.2 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 46% | 0.462 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.9 | 177 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | M15 Q16 | M15-S24 WeakPolarHBondContact CA-O 3.05Å; Q16-S24 PolarHBondContact N-O 3.1Å; Q16-S24 PolarHBondContact O-N 3.22Å |
| 25 | L | 81.8 | Confident | 80.2 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.7 | 175.3 | -69.1 | 176.8 | 0 | 0 | 0 | 110.4 | T13 M15 V83 V85 V110 | T13-L25 HydrophobicContact CG2-CB 4.49Å; T13-L25 HydrophobicContact CG2-CD2 4.11Å; M15-L25 HydrophobicContact CB-CD2 4.01Å; M15-L25 HydrophobicContact CE-CD2 3.75Å; M15-L25 HydrophobicContact CG-CD2 4.23Å; L25-V83 HydrophobicContact CB-CG2 4.12Å; L25-V83 PolarHBondContact O-N 2.79Å; L25-V83 VanDerWaalsContact O-N 3.15Å; L25-V85 HydrophobicContact CD1-CG2 3.47Å; L25-V85 VanDerWaalsContact CD1-CG2 3.47Å; L25-V110 HydrophobicContact CD1-CG1 4.23Å |
| 26 | F | 86.6 | Confident | 80.3 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 17% | 0.171 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.9 | 176.8 | -64.8 | -85.8 | 0 | 0 | 0 | 110.2 | A14 Q16 C80 F81 A82 | A14-F26 PolarHBondContact N-O 3.28Å; A14-F26 PolarHBondContact O-N 3.15Å; A14-F26 VanDerWaalsContact O-O 3.08Å; Q16-F26 HydrophobicContact CB-CD2 3.89Å; Q16-F26 HydrophobicContact CB-CE2 3.79Å; F26-C80 HydrophobicContact CD1-CB 3.9Å; F26-C80 HydrophobicContact CE1-CB 4.27Å; F26-F81 CarbonylContact C-O 3.56Å; F26-F81 WeakPolarHBondContact CA-O 3.22Å; F26-A82 HydrophobicContact CD1-CB 4.4Å; F26-A82 HydrophobicContact CE1-CB 4.14Å |
| 27 | L | 87.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128.7 | 166.6 | -171 | 72.4 | 0 | 0 | 0 | 109.1 | V29 T46 F81 V83 L89 V91 H108 | L27-V29 HydrophobicContact CD2-CG2 4.25Å; L27-V29 HydrophobicContact CG-CG2 4.39Å; L27-T46 HydrophobicContact CD2-CG2 3.93Å; L27-F81 HydrophobicContact CB-CB 4.17Å; L27-F81 PolarHBondContact N-O 3Å; L27-F81 WeakPolarHBondContact O-CD2 3.22Å; L27-F81 PolarHBondContact O-N 2.85Å; L27-V83 HydrophobicContact CB-CG1 3.89Å; L27-V83 HydrophobicContact CB-CG2 4.37Å; L27-L89 HydrophobicContact CD2-CD1 4.01Å; L27-V91 HydrophobicContact CD2-CG2 3.7Å; L27-H108 WeakPolarHBondContact CD1-CD2 3.08Å; L27-H108 VanDerWaalsContact CD1-NE2 3.31Å; L27-H108 WeakPolarHBondContact CD1-NE2 3.26Å |
| 28 | R | 89 | Confident | 80.4 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.7 | 169.8 | -72.4 | -175.8 | -177.5 | 171.7 | 5.7 | 109.4 | S11 Y12 A14 F78 G79 | S11-R28 WeakPolarHBondContact CA-O 3.05Å; Y12-R28 HydrophobicContact CD1-CB 4.38Å; Y12-R28 HydrophobicContact CD2-CB 4.13Å; Y12-R28 HydrophobicContact CE1-CB 3.94Å; Y12-R28 HydrophobicContact CE2-CB 3.68Å; Y12-R28 HydrophobicContact CE2-CG 4.21Å; Y12-R28 HydrophobicContact CG-CB 4.46Å; Y12-R28 PolarHBondContact N-O 2.95Å; Y12-R28 PolarHBondContact O-N 3.16Å; Y12-R28 WeakPolarHBondContact OH-CD 3.24Å; A14-R28 HydrophobicContact CB-CG 4.2Å; R28-F78 WeakPolarHBondContact CA-O 3.49Å; R28-G79 WeakPolarHBondContact CG-O 3.34Å |
| 29 | V | 90.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | L9 L27 F78 F81 V91 | L9-V29 HydrophobicContact CD1-CG1 3.32Å; L27-V29 HydrophobicContact CD2-CG2 4.25Å; L27-V29 HydrophobicContact CG-CG2 4.39Å; V29-F78 HydrophobicContact CB-CB 4.13Å; V29-F78 HydrophobicContact CB-CD2 4.25Å; V29-F78 HydrophobicContact CG1-CD2 4.34Å; V29-F78 PolarHBondContact N-O 3.08Å; V29-F78 PolarHBondContact O-N 3.03Å; V29-F81 HydrophobicContact CB-CE2 4.39Å; V29-F81 HydrophobicContact CG2-CD2 4.09Å; V29-F81 HydrophobicContact CG2-CE2 3.81Å; V29-V91 HydrophobicContact CG1-CG1 4.18Å; V29-V91 HydrophobicContact CG2-CG1 3.83Å |
| 30 | R | 89.4 | Confident | 81.6 | Confident | 86 Ų | 86 | 57.4 Ų | 57.4 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.7 | 174.7 | 178.3 | -174 | 73.7 | 170.6 | 5.3 | 108.7 | T10 Y12 V76 Y77 | T10-R30 PolarHBondContact N-O 3.24Å; T10-R30 PolarHBondContact O-N 3.42Å; T10-R30 WeakPolarHBondContact OG1-CB 3.38Å; T10-R30 PolarHBondContact OG1-NE 2.68Å; T10-R30 PolarHBondContact OG1-O 2.98Å; T10-R30 VanDerWaalsContact OG1-O 3.09Å; Y12-R30 HydrophobicContact CE1-CB 4.47Å; R30-V76 WeakPolarHBondContact CA-O 3.47Å; R30-Y77 HydrophobicContact CB-CD1 4.01Å; R30-Y77 HydrophobicContact CB-CE1 3.96Å; R30-Y77 WeakPolarHBondContact CD-OH 3.4Å; R30-Y77 HydrophobicContact CG-CD1 4.02Å; R30-Y77 HydrophobicContact CG-CE1 3.62Å |
| 31 | A | 89.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | A8 L42 Q75 V76 F78 L93 | A8-A31 WeakPolarHBondContact O-CA 3.26Å; A31-L42 HydrophobicContact CB-CD1 4.5Å; A31-Q75 CarbonylContact O-C 3.24Å; A31-Q75 WeakPolarHBondContact O-CA 3.48Å; A31-V76 PolarHBondContact N-O 2.83Å; A31-V76 PolarHBondContact O-N 2.82Å; A31-F78 HydrophobicContact CB-CE2 4.31Å; A31-L93 HydrophobicContact CB-CD1 4.31Å; A31-L93 HydrophobicContact CB-CD2 3.42Å; A31-L93 VanDerWaalsContact CB-CD2 3.42Å |
| 32 | S | 87.9 | Confident | 84 | Confident | 11 Ų | 11 | 46 Ų | 46 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.2 | 166.9 | -63.3 | 0 | 0 | 0 | 0 | 109 | E7 A8 L74 | E7-S32 PolarHBondContact N-O 2.72Å; A8-S32 PolarHBondContact N-O 2.71Å; A8-S32 PolarHBondContact O-N 3.03Å; S32-L74 WeakPolarHBondContact CA-O 3.41Å |
| 33 | I | 87.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.1 | -177.7 | 62.6 | 152 | 0 | 0 | 0 | 111.6 | V5 L6 L39 L42 Q73 L74 V76 | V5-I33 CarbonylContact O-C 3.58Å; V5-I33 VanDerWaalsContact O-CA 3.31Å; V5-I33 WeakPolarHBondContact O-CA 3.42Å; L6-I33 HydrophobicContact CD2-CG2 3.51Å; I33-L39 HydrophobicContact CD1-CD2 3.72Å; I33-L42 HydrophobicContact CD1-CD1 3.96Å; I33-L42 HydrophobicContact CD1-CG 4.42Å; I33-L42 HydrophobicContact CG1-CD1 4.32Å; I33-L42 HydrophobicContact CG2-CD1 3.61Å; I33-L42 HydrophobicContact CG2-CD2 4.12Å; I33-L42 HydrophobicContact CG2-CG 4.46Å; I33-Q73 CarbonylContact O-C 3.59Å; I33-Q73 WeakPolarHBondContact O-CA 3.31Å; I33-L74 HydrophobicContact CG1-CB 4.05Å; I33-L74 PolarHBondContact N-O 3.5Å; I33-L74 PolarHBondContact O-N 2.96Å; I33-V76 HydrophobicContact CD1-CG2 4.17Å; I33-V76 HydrophobicContact CG1-CG2 4.19Å |
| 34 | T | 84.6 | Confident | 85.9 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 14% | 0.141 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.7 | 165.6 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | S4 V5 E7 H36 | S4-T34 PolarHBondContact O-OG1 2.91Å; V5-T34 WeakPolarHBondContact CA-OG1 3.49Å; V5-T34 PolarHBondContact O-N 2.89Å; E7-T34 HydrophobicContact CG-CG2 4.22Å; E7-T34 WeakPolarHBondContact OE1-CG2 3.45Å; T34-H36 PolarHBondContact O-N 2.92Å; T34-H36 VanDerWaalsContact O-N 3.14Å |
| 35 | L | 77.9 | Confident | 86.5 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -67 | 116.1 | -176.9 | -109 | 168.6 | 0 | 0 | 0 | 111 | L39 V61 H66 Q69 G71 Q72 L74 | L35-L39 HydrophobicContact CD2-CD2 4.47Å; L35-V61 HydrophobicContact CD2-CG1 4.26Å; L35-H66 WeakPolarHBondContact CD2-CD2 3.1Å; L35-Q69 HydrophobicContact CD1-CB 3.53Å; L35-Q69 WeakPolarHBondContact CD1-O 3.4Å; L35-G71 PolarHBondContact O-N 2.76Å; L35-Q72 PolarHBondContact N-O 2.96Å; L35-L74 HydrophobicContact CD1-CD1 3.17Å; L35-L74 HydrophobicContact CD1-CG 4.36Å; L35-L74 HydrophobicContact CG-CD1 3.69Å |
| 36 | H | 81 | Confident | 87 | Confident | 85 Ų | 85 | 39.3 Ų | 39.3 | 39% | 0.394 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -103.7 | 152.7 | 176.3 | -165.8 | 63.5 | 0 | 0 | 0 | 111.3 | V5 T34 H38 L39 H66 | V5-H36 HydrophobicContact CG1-CB 4.2Å; V5-H36 HydrophobicContact CG2-CB 3.93Å; T34-H36 PolarHBondContact O-N 2.92Å; T34-H36 VanDerWaalsContact O-N 3.14Å; H36-H38 AromaticContact NE2-ND1 3.85Å; H36-H38 PolarHBondContact O-N 2.8Å; H36-H38 VanDerWaalsContact O-N 3.15Å; H36-L39 HydrophobicContact CB-CB 4.27Å; H36-L39 WeakPolarHBondContact O-CB 3.5Å; H36-L39 PolarHBondContact O-N 3.27Å; H36-H66 PolarHBondContact O-NE2 3.29Å |
| 37 | E | 76.4 | Confident | 87.3 | Confident | 122 Ų | 122 | 39.3 Ų | 39.3 | 57% | 0.57 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -37.4 | -172.7 | -169.6 | 177 | -176.4 | 0 | 0 | 113.1 | H66 M70 | E37-H66 PolarHBondContact O-CE1 2.92Å; E37-H66 PolarHBondContact O-NE2 2.86Å; E37-M70 HydrophobicContact CB-CE 4.16Å; E37-M70 HydrophobicContact CG-CE 4.46Å |
| 38 | H | 80.1 | Confident | 87.3 | Confident | 111 Ų | 111 | 39.5 Ų | 39.5 | 51% | 0.514 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -3.7 | -176.5 | -60.1 | 87.6 | 0 | 0 | 0 | 113.8 | H36 R40 P97 F99 | H36-H38 AromaticContact NE2-ND1 3.85Å; H36-H38 PolarHBondContact O-N 2.8Å; H36-H38 VanDerWaalsContact O-N 3.15Å; H38-R40 PolarHBondContact O-N 3.11Å; H38-P97 WeakPolarHBondContact O-CD 3.49Å; H38-F99 HydrophobicContact CB-CE1 4.04Å; H38-F99 HydrophobicContact CB-CZ 3.65Å |
| 39 | L | 83.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | trans | -77.7 | 118.8 | -177 | -173.6 | 72.6 | 0 | 0 | 0 | 110.2 | V5 I33 L35 H36 G41 L42 H66 T95 F99 | V5-L39 HydrophobicContact CG1-CD1 4.27Å; V5-L39 HydrophobicContact CG1-CD2 4.08Å; I33-L39 HydrophobicContact CD1-CD2 3.72Å; L35-L39 HydrophobicContact CD2-CD2 4.47Å; H36-L39 HydrophobicContact CB-CB 4.27Å; H36-L39 WeakPolarHBondContact O-CB 3.5Å; H36-L39 PolarHBondContact O-N 3.27Å; L39-G41 WeakPolarHBondContact CD1-O 3.21Å; L39-L42 HydrophobicContact CD1-CD2 4.31Å; L39-H66 PolarHBondContact O-CD2 2.82Å; L39-T95 HydrophobicContact CD1-CG2 3.59Å; L39-F99 HydrophobicContact CD1-CE2 4.44Å | ||
| 40 | R | 85.5 | Confident | 86.4 | Confident | 157 Ų | 157 | 43.8 Ų | 43.8 | 59% | 0.592 | 21% | 0.207 | S | C | * | . | trans | -104.4 | -22.5 | 178.9 | -58.2 | -166.1 | 179.3 | -135 | -0 | 113.4 | H38 V61 I96 | H38-R40 PolarHBondContact O-N 3.11Å; R40-V61 PolarHBondContact O-N 3.4Å; R40-I96 CarbonylContact C-O 3.56Å; R40-I96 WeakPolarHBondContact CA-O 3.31Å; R40-I96 WeakPolarHBondContact CB-O 3.2Å; R40-I96 PolarHBondContact N-O 3.45Å | ||
| 41 | G | 88.7 | Confident | 86 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | -175.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L39 V59 I96 | L39-G41 WeakPolarHBondContact CD1-O 3.21Å; G41-V59 CarbonylContact C-O 3.5Å; G41-V59 WeakPolarHBondContact CA-O 3.21Å; G41-I96 PolarHBondContact N-O 2.87Å; G41-I96 PolarHBondContact O-N 3.41Å |
| 42 | L | 91.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.8 | 175.1 | -64.1 | 174.4 | 0 | 0 | 0 | 109.2 | L6 A31 I33 L39 S58 V59 V76 F78 L93 R94 T95 | L6-L42 HydrophobicContact CD2-CD2 3.78Å; A31-L42 HydrophobicContact CB-CD1 4.5Å; I33-L42 HydrophobicContact CD1-CD1 3.96Å; I33-L42 HydrophobicContact CD1-CG 4.42Å; I33-L42 HydrophobicContact CG1-CD1 4.32Å; I33-L42 HydrophobicContact CG2-CD1 3.61Å; I33-L42 HydrophobicContact CG2-CD2 4.12Å; I33-L42 HydrophobicContact CG2-CG 4.46Å; L39-L42 HydrophobicContact CD1-CD2 4.31Å; L42-S58 CarbonylContact O-C 3.55Å; L42-S58 VanDerWaalsContact O-CA 3.3Å; L42-S58 WeakPolarHBondContact O-CA 3.48Å; L42-V59 PolarHBondContact N-O 3.47Å; L42-V59 PolarHBondContact O-N 3.29Å; L42-V76 HydrophobicContact CD1-CB 3.97Å; L42-V76 HydrophobicContact CD1-CG1 4.2Å; L42-V76 HydrophobicContact CD1-CG2 3.82Å; L42-F78 HydrophobicContact CB-CZ 3.78Å; L42-F78 HydrophobicContact CD1-CZ 4.43Å; L42-L93 HydrophobicContact CB-CD1 4.35Å; L42-R94 CarbonylContact C-O 3.47Å; L42-R94 WeakPolarHBondContact CA-O 3.27Å; L42-T95 HydrophobicContact CD2-CG2 4.26Å |
| 43 | E | 93.1 | Very high | 85.7 | Confident | 66 Ų | 66 | 57 Ų | 57 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.2 | 171.8 | -175.1 | 175.5 | -111.1 | 0 | 0 | 108.9 | Q57 L93 R94 I96 | E43-Q57 WeakPolarHBondContact CA-O 3.42Å; E43-L93 WeakPolarHBondContact O-CA 3.17Å; E43-R94 PolarHBondContact N-O 2.84Å; E43-R94 PolarHBondContact O-N 2.87Å; E43-I96 HydrophobicContact CB-CD1 4.13Å; E43-I96 HydrophobicContact CB-CG1 4.21Å |
| 44 | A | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109 | C56 Q57 F78 F81 T92 L93 | A44-C56 CarbonylContact O-C 3.43Å; A44-C56 WeakPolarHBondContact O-CA 3.27Å; A44-Q57 PolarHBondContact N-O 3.17Å; A44-Q57 PolarHBondContact O-N 3.45Å; A44-F78 HydrophobicContact CB-CB 4.37Å; A44-F78 HydrophobicContact CB-CD1 3.58Å; A44-F78 HydrophobicContact CB-CD2 3.83Å; A44-F78 HydrophobicContact CB-CE1 3.68Å; A44-F78 HydrophobicContact CB-CE2 3.95Å; A44-F78 HydrophobicContact CB-CG 3.66Å; A44-F78 HydrophobicContact CB-CZ 3.86Å; A44-F81 HydrophobicContact CB-CE2 4.37Å; A44-F81 HydrophobicContact CB-CZ 3.92Å; A44-F81 WeakPolarHBondContact O-CZ 3.46Å; A44-T92 CarbonylContact C-O 3.56Å; A44-T92 VanDerWaalsContact CA-O 3.31Å; A44-T92 WeakPolarHBondContact CA-O 3.17Å; A44-L93 HydrophobicContact CB-CD1 4.03Å |
| 45 | C | 92.3 | Very high | 86.2 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.054 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.4 | 176.4 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | T54 Q55 C56 V91 T92 | C45-T54 HydrophobicContact CB-CG2 4.46Å; C45-Q55 CarbonylContact C-O 3.51Å; C45-Q55 WeakPolarHBondContact CA-O 3.48Å; C45-C56 HydrophobicContact CB-CB 4.14Å; C45-C56 WeakPolarHBondContact CB-SG 3.38Å; C45-C56 WeakPolarHBondContact SG-CB 3.42Å; C45-C56 CovalentContact SG-SG 2.04Å; C45-C56 PolarHBondContact SG-SG 2.91Å; C45-V91 CarbonylContact O-C 3.58Å; C45-V91 WeakPolarHBondContact O-CA 3.39Å; C45-T92 PolarHBondContact N-O 3.33Å; C45-T92 PolarHBondContact O-N 2.86Å; C45-T92 PolarHBondContact O-OG1 3.01Å |
| 46 | T | 91.9 | Very high | 86.9 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.4 | 172.5 | 60.7 | 0 | 0 | 0 | 0 | 109.2 | L27 T54 Q55 F81 Y90 V91 | L27-T46 HydrophobicContact CD2-CG2 3.93Å; T46-T54 WeakPolarHBondContact O-CA 3.4Å; T46-Q55 PolarHBondContact N-O 2.72Å; T46-Q55 PolarHBondContact O-N 2.82Å; T46-F81 HydrophobicContact CG2-CB 4.12Å; T46-F81 HydrophobicContact CG2-CD1 3.77Å; T46-F81 HydrophobicContact CG2-CD2 3.88Å; T46-F81 HydrophobicContact CG2-CE1 4.11Å; T46-F81 HydrophobicContact CG2-CE2 4.22Å; T46-F81 HydrophobicContact CG2-CG 3.64Å; T46-F81 HydrophobicContact CG2-CZ 4.33Å; T46-Y90 WeakPolarHBondContact CA-O 3.21Å; T46-V91 HydrophobicContact CG2-CG1 4.46Å; T46-V91 HydrophobicContact CG2-CG2 4.3Å |
| 47 | V | 92.4 | Very high | 87.5 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 24% | 0.242 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | L49 E53 T54 L89 Y90 | V47-L49 PolarHBondContact O-N 2.8Å; V47-E53 CarbonylContact C-O 3.49Å; V47-E53 WeakPolarHBondContact CA-O 3.36Å; V47-T54 HydrophobicContact CG2-CG2 3.96Å; V47-L89 CarbonylContact O-C 3.55Å; V47-L89 WeakPolarHBondContact O-CA 3.3Å; V47-Y90 PolarHBondContact N-O 2.79Å; V47-Y90 PolarHBondContact O-N 2.83Å |
| 48 | S | 87.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121.8 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | D50 T51 Q52 E53 Q87 | S48-D50 PolarHBondContact O-N 2.92Å; S48-T51 WeakPolarHBondContact CB-OG1 3.12Å; S48-T51 PolarHBondContact OG-N 2.79Å; S48-T51 PolarHBondContact OG-OG1 2.93Å; S48-Q52 WeakPolarHBondContact O-CA 3.38Å; S48-Q52 PolarHBondContact O-N 2.79Å; S48-E53 PolarHBondContact N-O 3.06Å; S48-Q87 PolarHBondContact OG-NE2 3.48Å; S48-Q87 VanDerWaalsContact OG-NE2 3.07Å |
| 49 | L | 84.8 | Confident | 88.6 | Confident | 90 Ų | 90 | 59.8 Ų | 59.8 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.4 | 176.7 | -66.4 | -178.9 | 0 | 0 | 0 | 112.1 | V47 H88 | V47-L49 PolarHBondContact O-N 2.8Å; L49-H88 HydrophobicContact CB-CB 3.97Å; L49-H88 HydrophobicContact CD1-CB 4.15Å; L49-H88 HydrophobicContact CG-CB 4.41Å; L49-H88 PolarHBondContact N-O 3.25Å |
| 50 | D | 76.1 | Confident | 88.8 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -45.1 | -178.1 | -55 | -51.4 | 0 | 0 | 0 | 111.5 | S48 H88 | S48-D50 PolarHBondContact O-N 2.92Å; D50-H88 IonicContact OD1-ND1 3.75Å; D50-H88 PolarHBondContact OD2-N 3.16Å; D50-H88 IonicContact OD2-ND1 3.5Å |
| 51 | T | 79.8 | Confident | 88.6 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -10.1 | -174.8 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | S48 E53 | S48-T51 WeakPolarHBondContact CB-OG1 3.12Å; S48-T51 PolarHBondContact OG-N 2.79Å; S48-T51 PolarHBondContact OG-OG1 2.93Å; T51-E53 PolarHBondContact O-N 2.81Å; T51-E53 VanDerWaalsContact O-N 3.12Å |
| 52 | Q | 83.9 | Confident | 88.1 | Confident | 162 Ų | 162 | 64.3 Ų | 64.3 | 76% | 0.757 | 34% | 0.344 | S | S | * | . | trans | 60 | 8.8 | -170.4 | -55.5 | -174 | 14.9 | 0 | 0 | 114.9 | S48 | S48-Q52 WeakPolarHBondContact O-CA 3.38Å; S48-Q52 PolarHBondContact O-N 2.79Å | ||
| 53 | E | 87.4 | Confident | 87.1 | Confident | 132 Ų | 132 | 74.2 Ų | 74.2 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | trans | -66.3 | 139.3 | 174.5 | -71.7 | -175.8 | 153.6 | 0 | 0 | 111.3 | V47 S48 T51 | V47-E53 CarbonylContact C-O 3.49Å; V47-E53 WeakPolarHBondContact CA-O 3.36Å; S48-E53 PolarHBondContact N-O 3.06Å; T51-E53 PolarHBondContact O-N 2.81Å; T51-E53 VanDerWaalsContact O-N 3.12Å | ||
| 54 | T | 91.4 | Very high | 85.7 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.3 | -176.2 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | C45 T46 V47 | C45-T54 HydrophobicContact CB-CG2 4.46Å; T46-T54 WeakPolarHBondContact O-CA 3.4Å; V47-T54 HydrophobicContact CG2-CG2 3.96Å |
| 55 | Q | 92.3 | Very high | 84.3 | Confident | 77 Ų | 77 | 78.8 Ų | 78.8 | 36% | 0.36 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.4 | 171.6 | -61.7 | 177.4 | 7.8 | 0 | 0 | 109 | C45 T46 F81 A82 | C45-Q55 CarbonylContact C-O 3.51Å; C45-Q55 WeakPolarHBondContact CA-O 3.48Å; T46-Q55 PolarHBondContact N-O 2.72Å; T46-Q55 PolarHBondContact O-N 2.82Å; Q55-F81 HydrophobicContact CB-CD1 3.98Å; Q55-A82 PolarHBondContact NE2-O 2.94Å; Q55-A82 VanDerWaalsContact OE1-N 3.17Å |
| 56 | C | 92.3 | Very high | 83.1 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 45% | 0.446 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.9 | 180 | -65 | 0 | 0 | 0 | 0 | 111.1 | A44 C45 | A44-C56 CarbonylContact O-C 3.43Å; A44-C56 WeakPolarHBondContact O-CA 3.27Å; C45-C56 HydrophobicContact CB-CB 4.14Å; C45-C56 WeakPolarHBondContact CB-SG 3.38Å; C45-C56 WeakPolarHBondContact SG-CB 3.42Å; C45-C56 CovalentContact SG-SG 2.04Å; C45-C56 PolarHBondContact SG-SG 2.91Å |
| 57 | Q | 92.9 | Very high | 81.8 | Confident | 67 Ų | 67 | 90.6 Ų | 90.6 | 31% | 0.313 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.6 | 171.5 | -70.1 | -174.2 | 8.8 | 0 | 0 | 109.4 | E43 A44 F78 C80 F81 | E43-Q57 WeakPolarHBondContact CA-O 3.42Å; A44-Q57 PolarHBondContact N-O 3.17Å; A44-Q57 PolarHBondContact O-N 3.45Å; Q57-F78 HydrophobicContact CB-CD1 4.14Å; Q57-F78 WeakPolarHBondContact O-CE1 3.4Å; Q57-C80 PolarHBondContact NE2-O 3.2Å; Q57-F81 HydrophobicContact CB-CE1 4.07Å; Q57-F81 HydrophobicContact CB-CZ 3.89Å; Q57-F81 HydrophobicContact CG-CD1 4.47Å; Q57-F81 HydrophobicContact CG-CE1 3.79Å; Q57-F81 HydrophobicContact CG-CZ 4Å |
| 58 | S | 90.9 | Very high | 80.5 | Confident | 59 Ų | 59 | 95.6 Ų | 95.6 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.9 | 177.1 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | L42 | L42-S58 CarbonylContact O-C 3.55Å; L42-S58 VanDerWaalsContact O-CA 3.3Å; L42-S58 WeakPolarHBondContact O-CA 3.48Å |
| 59 | V | 89.5 | Confident | 79.6 | Confident | 55 Ų | 55 | 98.4 Ų | 98.4 | 33% | 0.333 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.4 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | G41 L42 V76 F78 | G41-V59 CarbonylContact C-O 3.5Å; G41-V59 WeakPolarHBondContact CA-O 3.21Å; L42-V59 PolarHBondContact N-O 3.47Å; L42-V59 PolarHBondContact O-N 3.29Å; V59-V76 HydrophobicContact CB-CG1 4.17Å; V59-V76 HydrophobicContact CG1-CG1 4.06Å; V59-V76 HydrophobicContact CG2-CG1 4.29Å; V59-F78 HydrophobicContact CB-CE1 4.23Å; V59-F78 HydrophobicContact CG2-CD1 3.93Å; V59-F78 HydrophobicContact CG2-CE1 3.66Å; V59-F78 HydrophobicContact CG2-CZ 4.33Å |
| 60 | W | 87.1 | Confident | 78.9 | Confident | 163 Ų | 163 | 99.6 Ų | 99.6 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.1 | -178.4 | -57.6 | 94.7 | 0 | 0 | 0 | 110.7 | I96 | W60-I96 HydrophobicContact CE3-CG2 4.46Å; W60-I96 HydrophobicContact CH2-CD1 4.03Å; W60-I96 HydrophobicContact CH2-CG2 3.64Å; W60-I96 HydrophobicContact CZ2-CD1 4.22Å; W60-I96 HydrophobicContact CZ3-CB 4.22Å; W60-I96 HydrophobicContact CZ3-CD1 4.21Å; W60-I96 HydrophobicContact CZ3-CG2 3.45Å; W60-I96 VanDerWaalsContact CZ3-CG2 3.45Å |
| 61 | V | 82.4 | Confident | 78.6 | Confident | 34 Ų | 34 | 97 Ų | 97 | 21% | 0.206 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 121.3 | 173.5 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | L35 R40 R63 H66 | L35-V61 HydrophobicContact CD2-CG1 4.26Å; R40-V61 PolarHBondContact O-N 3.4Å; V61-R63 PolarHBondContact O-N 3.15Å; V61-H66 HydrophobicContact CG1-CB 4.44Å |
| 62 | A | 77.6 | Confident | 78.3 | Confident | 58 Ų | 58 | 97.8 Ų | 97.8 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 137.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V64 S65 H66 | A62-V64 PolarHBondContact O-N 2.86Å; A62-V64 VanDerWaalsContact O-N 3.16Å; A62-S65 WeakPolarHBondContact O-CB 3.25Å; A62-S65 PolarHBondContact O-N 3.25Å; A62-S65 VanDerWaalsContact O-N 3.1Å; A62-H66 PolarHBondContact O-N 3.12Å; A62-H66 VanDerWaalsContact O-N 3.08Å |
| 63 | R | 70.7 | Confident | 78.2 | Confident | 209 Ų | 209 | 95.8 Ų | 95.8 | 79% | 0.789 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.2 | -30.7 | -176.9 | -67.2 | -174.7 | -160.5 | 169 | 6.5 | 113.6 | V61 | V61-R63 PolarHBondContact O-N 3.15Å |
| 64 | V | 62.5 | Low | 78 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 66% | 0.661 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.2 | -42.6 | 178.8 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | A62 H66 | A62-V64 PolarHBondContact O-N 2.86Å; A62-V64 VanDerWaalsContact O-N 3.16Å; V64-H66 VanDerWaalsContact C-N 3.34Å |
| 65 | S | 64.6 | Low | 77.8 | Confident | 54 Ų | 54 | 92.7 Ų | 92.7 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.2 | -33.1 | 177.2 | -48 | 0 | 0 | 0 | 0 | 112.3 | A62 R67 Q68 Q69 | A62-S65 WeakPolarHBondContact O-CB 3.25Å; A62-S65 PolarHBondContact O-N 3.25Å; A62-S65 VanDerWaalsContact O-N 3.1Å; S65-R67 PolarHBondContact O-N 3.19Å; S65-Q68 PolarHBondContact O-N 3.07Å; S65-Q69 VanDerWaalsContact O-CB 3.29Å; S65-Q69 WeakPolarHBondContact O-CB 3.37Å; S65-Q69 WeakPolarHBondContact O-CG 3.35Å; S65-Q69 PolarHBondContact O-N 3.2Å |
| 66 | H | 67.5 | Low | 77.5 | Confident | 35 Ų | 35 | 90 Ų | 90 | 16% | 0.162 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 179.3 | -173.9 | -87.1 | 0 | 0 | 0 | 112.9 | L35 H36 E37 L39 V61 A62 V64 Q68 M70 | L35-H66 WeakPolarHBondContact CD2-CD2 3.1Å; H36-H66 PolarHBondContact O-NE2 3.29Å; E37-H66 PolarHBondContact O-CE1 2.92Å; E37-H66 PolarHBondContact O-NE2 2.86Å; L39-H66 PolarHBondContact O-CD2 2.82Å; V61-H66 HydrophobicContact CG1-CB 4.44Å; A62-H66 PolarHBondContact O-N 3.12Å; A62-H66 VanDerWaalsContact O-N 3.08Å; V64-H66 VanDerWaalsContact C-N 3.34Å; H66-Q68 PolarHBondContact O-N 2.85Å; H66-M70 PolarHBondContact O-N 3.18Å |
| 67 | R | 64.6 | Low | 77.4 | Confident | 224 Ų | 224 | 92.6 Ų | 92.6 | 85% | 0.845 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.9 | -30.2 | 178.7 | -72.5 | -174.7 | 174.7 | -178.8 | -2.1 | 113.9 | S65 | S65-R67 PolarHBondContact O-N 3.19Å |
| 68 | Q | 64.7 | Low | 77.2 | Confident | 146 Ų | 146 | 89.5 Ų | 89.5 | 68% | 0.682 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -87.8 | -24.4 | -177.8 | -73.1 | 178 | -16 | 0 | 0 | 113.5 | S65 H66 | S65-Q68 PolarHBondContact O-N 3.07Å; H66-Q68 PolarHBondContact O-N 2.85Å |
| 69 | Q | 67.7 | Low | 76.1 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 29% | 0.29 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -114 | 12.7 | -171.4 | -61.4 | -78.1 | -68.8 | 0 | 0 | 112.6 | L35 S65 G71 Q72 L74 | L35-Q69 HydrophobicContact CD1-CB 3.53Å; L35-Q69 WeakPolarHBondContact CD1-O 3.4Å; S65-Q69 VanDerWaalsContact O-CB 3.29Å; S65-Q69 WeakPolarHBondContact O-CB 3.37Å; S65-Q69 WeakPolarHBondContact O-CG 3.35Å; S65-Q69 PolarHBondContact O-N 3.2Å; Q69-G71 PolarHBondContact O-N 2.92Å; Q69-Q72 WeakPolarHBondContact O-CB 3.1Å; Q69-Q72 PolarHBondContact O-N 3.3Å; Q69-L74 HydrophobicContact CB-CD1 4.5Å |
| 70 | M | 70.1 | Confident | 75.5 | Confident | 114 Ų | 114 | 88.6 Ų | 88.6 | 56% | 0.562 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 126.5 | 179.5 | -168.8 | -176.5 | -177.6 | 0 | 0 | 110.8 | E37 H66 Q72 | E37-M70 HydrophobicContact CB-CE 4.16Å; E37-M70 HydrophobicContact CG-CE 4.46Å; H66-M70 PolarHBondContact O-N 3.18Å; M70-Q72 PolarHBondContact O-N 3.29Å |
| 71 | G | 69.8 | Low | 75.6 | Confident | 47 Ų | 47 | 80.8 Ų | 80.8 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | -2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | L35 Q69 | L35-G71 PolarHBondContact O-N 2.76Å; Q69-G71 PolarHBondContact O-N 2.92Å |
| 72 | Q | 74.3 | Confident | 75.8 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | trans | -84.2 | 154.4 | 169.7 | -70 | -176.9 | 5.9 | 0 | 0 | 111.3 | L35 Q69 M70 | L35-Q72 PolarHBondContact N-O 2.96Å; Q69-Q72 WeakPolarHBondContact O-CB 3.1Å; Q69-Q72 PolarHBondContact O-N 3.3Å; M70-Q72 PolarHBondContact O-N 3.29Å | ||
| 73 | Q | 81.3 | Confident | 76.2 | Confident | 119 Ų | 119 | 79.5 Ų | 79.5 | 56% | 0.556 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.8 | 174.7 | -170.3 | -176.8 | 7.1 | 0 | 0 | 109.6 | E7 I33 | E7-Q73 WeakPolarHBondContact OE2-CG 3.29Å; E7-Q73 PolarHBondContact OE2-NE2 3.11Å; I33-Q73 CarbonylContact O-C 3.59Å; I33-Q73 WeakPolarHBondContact O-CA 3.31Å |
| 74 | L | 83.4 | Confident | 76.5 | Confident | 47 Ų | 47 | 73.3 Ų | 73.3 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.9 | 178.9 | -74.6 | 166.2 | 0 | 0 | 0 | 110.8 | S32 I33 L35 Q69 | S32-L74 WeakPolarHBondContact CA-O 3.41Å; I33-L74 HydrophobicContact CG1-CB 4.05Å; I33-L74 PolarHBondContact N-O 3.5Å; I33-L74 PolarHBondContact O-N 2.96Å; L35-L74 HydrophobicContact CD1-CD1 3.17Å; L35-L74 HydrophobicContact CD1-CG 4.36Å; L35-L74 HydrophobicContact CG-CD1 3.69Å; Q69-L74 HydrophobicContact CB-CD1 4.5Å |
| 75 | Q | 86.8 | Confident | 77.1 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120 | 170.2 | -67.1 | -175 | 4.7 | 0 | 0 | 109.8 | A31 Y77 | A31-Q75 CarbonylContact O-C 3.24Å; A31-Q75 WeakPolarHBondContact O-CA 3.48Å; Q75-Y77 HydrophobicContact CB-CE2 3.9Å; Q75-Y77 PolarHBondContact OE1-OH 2.91Å |
| 76 | V | 87.6 | Confident | 77.4 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.1 | 177 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | R30 A31 I33 L42 V59 F78 | R30-V76 WeakPolarHBondContact CA-O 3.47Å; A31-V76 PolarHBondContact N-O 2.83Å; A31-V76 PolarHBondContact O-N 2.82Å; I33-V76 HydrophobicContact CD1-CG2 4.17Å; I33-V76 HydrophobicContact CG1-CG2 4.19Å; L42-V76 HydrophobicContact CD1-CB 3.97Å; L42-V76 HydrophobicContact CD1-CG1 4.2Å; L42-V76 HydrophobicContact CD1-CG2 3.82Å; V59-V76 HydrophobicContact CB-CG1 4.17Å; V59-V76 HydrophobicContact CG1-CG1 4.06Å; V59-V76 HydrophobicContact CG2-CG1 4.29Å; V76-F78 HydrophobicContact CB-CE2 4.48Å; V76-F78 HydrophobicContact CG1-CE2 3.93Å; V76-F78 HydrophobicContact CG1-CZ 4.06Å |
| 77 | Y | 88.8 | Confident | 78 | Confident | 120 Ų | 120 | 69.5 Ų | 69.5 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.4 | -178.7 | -66.3 | -92.3 | 0 | 0 | 0 | 110 | R30 Q75 | R30-Y77 HydrophobicContact CB-CD1 4.01Å; R30-Y77 HydrophobicContact CB-CE1 3.96Å; R30-Y77 WeakPolarHBondContact CD-OH 3.4Å; R30-Y77 HydrophobicContact CG-CD1 4.02Å; R30-Y77 HydrophobicContact CG-CE1 3.62Å; Q75-Y77 HydrophobicContact CB-CE2 3.9Å; Q75-Y77 PolarHBondContact OE1-OH 2.91Å |
| 78 | F | 88.5 | Confident | 78.9 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.009 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.9 | 170.2 | -56 | -97 | 0 | 0 | 0 | 107.6 | R28 V29 A31 L42 A44 Q57 V59 V76 F81 L93 | R28-F78 WeakPolarHBondContact CA-O 3.49Å; V29-F78 HydrophobicContact CB-CB 4.13Å; V29-F78 HydrophobicContact CB-CD2 4.25Å; V29-F78 HydrophobicContact CG1-CD2 4.34Å; V29-F78 PolarHBondContact N-O 3.08Å; V29-F78 PolarHBondContact O-N 3.03Å; A31-F78 HydrophobicContact CB-CE2 4.31Å; L42-F78 HydrophobicContact CB-CZ 3.78Å; L42-F78 HydrophobicContact CD1-CZ 4.43Å; A44-F78 HydrophobicContact CB-CB 4.37Å; A44-F78 HydrophobicContact CB-CD1 3.58Å; A44-F78 HydrophobicContact CB-CD2 3.83Å; A44-F78 HydrophobicContact CB-CE1 3.68Å; A44-F78 HydrophobicContact CB-CE2 3.95Å; A44-F78 HydrophobicContact CB-CG 3.66Å; A44-F78 HydrophobicContact CB-CZ 3.86Å; Q57-F78 HydrophobicContact CB-CD1 4.14Å; Q57-F78 WeakPolarHBondContact O-CE1 3.4Å; V59-F78 HydrophobicContact CB-CE1 4.23Å; V59-F78 HydrophobicContact CG2-CD1 3.93Å; V59-F78 HydrophobicContact CG2-CE1 3.66Å; V59-F78 HydrophobicContact CG2-CZ 4.33Å; V76-F78 HydrophobicContact CB-CE2 4.48Å; V76-F78 HydrophobicContact CG1-CE2 3.93Å; V76-F78 HydrophobicContact CG1-CZ 4.06Å; F78-F81 HydrophobicContact CB-CE2 3.76Å; F78-F81 HydrophobicContact CB-CZ 4.26Å; F78-L93 HydrophobicContact CE2-CD1 3.74Å; F78-L93 HydrophobicContact CZ-CD1 3.83Å |
| 79 | G | 67.9 | Low | 80.1 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -25.9 | -150.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | R28 | R28-G79 WeakPolarHBondContact CG-O 3.34Å |
| 80 | C | 77.8 | Confident | 81.3 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 63.1 | -163.1 | -54 | 0 | 0 | 0 | 0 | 114.1 | F26 Q57 | F26-C80 HydrophobicContact CD1-CB 3.9Å; F26-C80 HydrophobicContact CE1-CB 4.27Å; Q57-C80 PolarHBondContact NE2-O 3.2Å |
| 81 | F | 88.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 120.4 | 165.9 | -61 | -81.2 | 0 | 0 | 0 | 108.7 | F26 L27 V29 A44 T46 Q55 Q57 F78 V83 | F26-F81 CarbonylContact C-O 3.56Å; F26-F81 WeakPolarHBondContact CA-O 3.22Å; L27-F81 HydrophobicContact CB-CB 4.17Å; L27-F81 PolarHBondContact N-O 3Å; L27-F81 WeakPolarHBondContact O-CD2 3.22Å; L27-F81 PolarHBondContact O-N 2.85Å; V29-F81 HydrophobicContact CB-CE2 4.39Å; V29-F81 HydrophobicContact CG2-CD2 4.09Å; V29-F81 HydrophobicContact CG2-CE2 3.81Å; A44-F81 HydrophobicContact CB-CE2 4.37Å; A44-F81 HydrophobicContact CB-CZ 3.92Å; A44-F81 WeakPolarHBondContact O-CZ 3.46Å; T46-F81 HydrophobicContact CG2-CB 4.12Å; T46-F81 HydrophobicContact CG2-CD1 3.77Å; T46-F81 HydrophobicContact CG2-CD2 3.88Å; T46-F81 HydrophobicContact CG2-CE1 4.11Å; T46-F81 HydrophobicContact CG2-CE2 4.22Å; T46-F81 HydrophobicContact CG2-CG 3.64Å; T46-F81 HydrophobicContact CG2-CZ 4.33Å; Q55-F81 HydrophobicContact CB-CD1 3.98Å; Q57-F81 HydrophobicContact CB-CE1 4.07Å; Q57-F81 HydrophobicContact CB-CZ 3.89Å; Q57-F81 HydrophobicContact CG-CD1 4.47Å; Q57-F81 HydrophobicContact CG-CE1 3.79Å; Q57-F81 HydrophobicContact CG-CZ 4Å; F78-F81 HydrophobicContact CB-CE2 3.76Å; F78-F81 HydrophobicContact CB-CZ 4.26Å; F81-V83 PolarHBondContact O-N 2.62Å |
| 82 | A | 86.8 | Confident | 83.5 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F26 Q55 | F26-A82 HydrophobicContact CD1-CB 4.4Å; F26-A82 HydrophobicContact CE1-CB 4.14Å; Q55-A82 PolarHBondContact NE2-O 2.94Å; Q55-A82 VanDerWaalsContact OE1-N 3.17Å |
| 83 | V | 85.6 | Confident | 84.4 | Confident | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | trans | -134.9 | 149.7 | -173.3 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | L25 L27 F81 L89 V110 | L25-V83 HydrophobicContact CB-CG2 4.12Å; L25-V83 PolarHBondContact O-N 2.79Å; L25-V83 VanDerWaalsContact O-N 3.15Å; L27-V83 HydrophobicContact CB-CG1 3.89Å; L27-V83 HydrophobicContact CB-CG2 4.37Å; F81-V83 PolarHBondContact O-N 2.62Å; V83-L89 HydrophobicContact CB-CD1 4.14Å; V83-L89 HydrophobicContact CG1-CD1 3.44Å; V83-L89 VanDerWaalsContact CG1-CD1 3.44Å; V83-V110 HydrophobicContact CB-CG2 4Å; V83-V110 HydrophobicContact CG2-CG1 4.17Å; V83-V110 HydrophobicContact CG2-CG2 3.9Å | ||
| 84 | S | 77.6 | Confident | 84.8 | Confident | 79 Ų | 79 | 44 Ų | 44 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | trans | -96.1 | 156.3 | 175.5 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | A86 Q87 V110 | S84-A86 PolarHBondContact O-N 3.26Å; S84-Q87 WeakPolarHBondContact O-CB 3.31Å; S84-Q87 PolarHBondContact O-N 2.87Å; S84-V110 WeakPolarHBondContact O-CB 3.08Å; S84-V110 WeakPolarHBondContact O-CG1 3.08Å | ||
| 85 | V | 75.3 | Confident | 85.1 | Confident | 66 Ų | 66 | 41.9 Ų | 41.9 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 133.7 | 174.5 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L25 Q87 A112 | L25-V85 HydrophobicContact CD1-CG2 3.47Å; L25-V85 VanDerWaalsContact CD1-CG2 3.47Å; V85-Q87 PolarHBondContact O-N 3.08Å; V85-A112 HydrophobicContact CB-CB 4.49Å; V85-A112 VanDerWaalsContact CG1-CA 3.41Å; V85-A112 HydrophobicContact CG1-CB 3.05Å |
| 86 | A | 71.3 | Confident | 85.2 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 21.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S84 V110 A112 V189 | S84-A86 PolarHBondContact O-N 3.26Å; A86-V110 WeakPolarHBondContact CA-O 3.43Å; A86-V110 PolarHBondContact N-O 2.82Å; A86-A112 HydrophobicContact CB-CB 4.15Å; A86-V189 HydrophobicContact CB-CB 3.83Å; A86-V189 HydrophobicContact CB-CG1 3.29Å; A86-V189 HydrophobicContact CB-CG2 4.15Å |
| 87 | Q | 80.2 | Confident | 85.1 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | trans | -74.5 | 135.7 | 173.2 | -167.6 | 173.4 | 5.3 | 0 | 0 | 110.9 | S48 S84 V85 L89 V110 | S48-Q87 PolarHBondContact OG-NE2 3.48Å; S48-Q87 VanDerWaalsContact OG-NE2 3.07Å; S84-Q87 WeakPolarHBondContact O-CB 3.31Å; S84-Q87 PolarHBondContact O-N 2.87Å; V85-Q87 PolarHBondContact O-N 3.08Å; Q87-L89 HydrophobicContact CG-CD2 3.87Å; Q87-L89 HydrophobicContact CG-CG 4.28Å; Q87-V110 HydrophobicContact CB-CG2 4.37Å; Q87-V110 PolarHBondContact O-N 2.9Å; Q87-V110 VanDerWaalsContact O-N 3.08Å | ||
| 88 | H | 84 | Confident | 85 | Confident | 87 Ų | 87 | 39.9 Ų | 39.9 | 40% | 0.403 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.9 | 173.2 | -66.3 | 85.4 | 0 | 0 | 0 | 110.1 | L49 D50 | L49-H88 HydrophobicContact CB-CB 3.97Å; L49-H88 HydrophobicContact CD1-CB 4.15Å; L49-H88 HydrophobicContact CG-CB 4.41Å; L49-H88 PolarHBondContact N-O 3.25Å; D50-H88 IonicContact OD1-ND1 3.75Å; D50-H88 PolarHBondContact OD2-N 3.16Å; D50-H88 IonicContact OD2-ND1 3.5Å |
| 89 | L | 89.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.8 | -175.4 | -59.6 | 169.4 | 0 | 0 | 0 | 111.3 | L27 V47 V83 Q87 K107 H108 V110 | L27-L89 HydrophobicContact CD2-CD1 4.01Å; V47-L89 CarbonylContact O-C 3.55Å; V47-L89 WeakPolarHBondContact O-CA 3.3Å; V83-L89 HydrophobicContact CB-CD1 4.14Å; V83-L89 HydrophobicContact CG1-CD1 3.44Å; V83-L89 VanDerWaalsContact CG1-CD1 3.44Å; Q87-L89 HydrophobicContact CG-CD2 3.87Å; Q87-L89 HydrophobicContact CG-CG 4.28Å; L89-K107 WeakPolarHBondContact O-CA 3.09Å; L89-H108 PolarHBondContact N-O 2.73Å; L89-H108 PolarHBondContact O-N 2.78Å; L89-V110 HydrophobicContact CD1-CG2 3.64Å; L89-V110 HydrophobicContact CG-CG2 4.44Å |
| 90 | Y | 92.1 | Very high | 85.4 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 28% | 0.282 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109.4 | 166.1 | -166.4 | -106.7 | 0 | 0 | 0 | 108.9 | T46 V47 T92 D105 K107 | T46-Y90 WeakPolarHBondContact CA-O 3.21Å; V47-Y90 PolarHBondContact N-O 2.79Å; V47-Y90 PolarHBondContact O-N 2.83Å; Y90-T92 HydrophobicContact CD1-CG2 3.56Å; Y90-T92 HydrophobicContact CE1-CG2 3.37Å; Y90-D105 HydrophobicContact CE1-CB 4.08Å; Y90-D105 HydrophobicContact CE2-CB 4.26Å; Y90-D105 VanDerWaalsContact OH-CB 3.32Å; Y90-D105 WeakPolarHBondContact OH-CB 3.44Å; Y90-D105 PolarHBondContact OH-OD2 2.8Å; Y90-K107 HydrophobicContact CD2-CG 3.81Å; Y90-K107 HydrophobicContact CE2-CG 4.19Å |
| 91 | V | 93.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.2 | -179.4 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | L9 L27 V29 C45 T46 D105 Q106 H108 | L9-V91 HydrophobicContact CD2-CG1 4.44Å; L27-V91 HydrophobicContact CD2-CG2 3.7Å; V29-V91 HydrophobicContact CG1-CG1 4.18Å; V29-V91 HydrophobicContact CG2-CG1 3.83Å; C45-V91 CarbonylContact O-C 3.58Å; C45-V91 WeakPolarHBondContact O-CA 3.39Å; T46-V91 HydrophobicContact CG2-CG1 4.46Å; T46-V91 HydrophobicContact CG2-CG2 4.3Å; V91-D105 CarbonylContact O-C 3.54Å; V91-D105 VanDerWaalsContact O-CA 3.24Å; V91-D105 WeakPolarHBondContact O-CA 3.05Å; V91-Q106 PolarHBondContact N-O 3.02Å; V91-Q106 PolarHBondContact O-N 2.84Å; V91-H108 HydrophobicContact CG2-CB 4.18Å |
| 92 | T | 92.9 | Very high | 85.1 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.6 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | A44 C45 Y90 L104 D105 | A44-T92 CarbonylContact C-O 3.56Å; A44-T92 VanDerWaalsContact CA-O 3.31Å; A44-T92 WeakPolarHBondContact CA-O 3.17Å; C45-T92 PolarHBondContact N-O 3.33Å; C45-T92 PolarHBondContact O-N 2.86Å; C45-T92 PolarHBondContact O-OG1 3.01Å; Y90-T92 HydrophobicContact CD1-CG2 3.56Å; Y90-T92 HydrophobicContact CE1-CG2 3.37Å; T92-L104 CarbonylContact C-O 3.58Å; T92-L104 WeakPolarHBondContact CA-O 3.06Å; T92-D105 HydrophobicContact CG2-CB 4.3Å |
| 93 | L | 92.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.9 | 176.2 | -176.2 | 71.5 | 0 | 0 | 0 | 109.3 | L6 L9 A31 L42 E43 A44 F78 Q103 L104 | L6-L93 HydrophobicContact CD1-CD2 4.34Å; L6-L93 HydrophobicContact CD2-CD2 3.88Å; L6-L93 HydrophobicContact CD2-CG 4.47Å; L9-L93 HydrophobicContact CD1-CB 4.11Å; L9-L93 HydrophobicContact CD1-CD2 4.18Å; L9-L93 HydrophobicContact CD2-CB 4.38Å; A31-L93 HydrophobicContact CB-CD1 4.31Å; A31-L93 HydrophobicContact CB-CD2 3.42Å; A31-L93 VanDerWaalsContact CB-CD2 3.42Å; L42-L93 HydrophobicContact CB-CD1 4.35Å; E43-L93 WeakPolarHBondContact O-CA 3.17Å; A44-L93 HydrophobicContact CB-CD1 4.03Å; F78-L93 HydrophobicContact CE2-CD1 3.74Å; F78-L93 HydrophobicContact CZ-CD1 3.83Å; L93-Q103 VanDerWaalsContact O-CA 3.3Å; L93-Q103 WeakPolarHBondContact O-CA 3.46Å; L93-L104 HydrophobicContact CB-CB 4.36Å; L93-L104 PolarHBondContact N-O 2.83Å; L93-L104 PolarHBondContact O-N 2.83Å |
| 94 | R | 91.5 | Very high | 85.2 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.3 | -178.2 | -64.7 | 178.1 | 178.8 | 158.9 | 1 | 110.7 | L42 E43 Q103 | L42-R94 CarbonylContact C-O 3.47Å; L42-R94 WeakPolarHBondContact CA-O 3.27Å; E43-R94 PolarHBondContact N-O 2.84Å; E43-R94 PolarHBondContact O-N 2.87Å; R94-Q103 HydrophobicContact CG-CB 4.34Å |
| 95 | T | 89.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 154.6 | 171.8 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | V5 L6 L39 L42 P97 H98 F99 V102 | V5-T95 HydrophobicContact CG1-CG2 4.29Å; L6-T95 HydrophobicContact CD1-CG2 4.47Å; L6-T95 HydrophobicContact CD2-CG2 4.2Å; L6-T95 HydrophobicContact CG-CG2 4.3Å; L39-T95 HydrophobicContact CD1-CG2 3.59Å; L42-T95 HydrophobicContact CD2-CG2 4.26Å; T95-P97 CarbonylContact C-O 3.58Å; T95-P97 VanDerWaalsContact C-O 3.24Å; T95-P97 WeakPolarHBondContact CB-O 3.41Å; T95-P97 CarbonylContact O-C 3.57Å; T95-P97 PolarHBondContact OG1-O 3.26Å; T95-H98 VanDerWaalsContact O-CA 3.29Å; T95-H98 WeakPolarHBondContact O-CA 3.3Å; T95-H98 PolarHBondContact O-N 3.44Å; T95-F99 HydrophobicContact CG2-CD2 4.28Å; T95-F99 PolarHBondContact OG1-N 2.84Å; T95-V102 HydrophobicContact CG2-CG1 4.01Å |
| 96 | I | 88 | Confident | 86.5 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.2 | 168.4 | -51.3 | 174 | 0 | 0 | 0 | 108.4 | R40 G41 E43 W60 | R40-I96 CarbonylContact C-O 3.56Å; R40-I96 WeakPolarHBondContact CA-O 3.31Å; R40-I96 WeakPolarHBondContact CB-O 3.2Å; R40-I96 PolarHBondContact N-O 3.45Å; G41-I96 PolarHBondContact N-O 2.87Å; G41-I96 PolarHBondContact O-N 3.41Å; E43-I96 HydrophobicContact CB-CD1 4.13Å; E43-I96 HydrophobicContact CB-CG1 4.21Å; W60-I96 HydrophobicContact CE3-CG2 4.46Å; W60-I96 HydrophobicContact CH2-CD1 4.03Å; W60-I96 HydrophobicContact CH2-CG2 3.64Å; W60-I96 HydrophobicContact CZ2-CD1 4.22Å; W60-I96 HydrophobicContact CZ3-CB 4.22Å; W60-I96 HydrophobicContact CZ3-CD1 4.21Å; W60-I96 HydrophobicContact CZ3-CG2 3.45Å; W60-I96 VanDerWaalsContact CZ3-CG2 3.45Å |
| 97 | P | 86.1 | Confident | 87.3 | Confident | 66 Ų | 66 | 59 Ų | 59 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | S | Bend | cis | -65.7 | 162.1 | -8.2 | 30.8 | -34 | 0 | 0 | 0 | 112 | H38 T95 F99 | H38-P97 WeakPolarHBondContact O-CD 3.49Å; T95-P97 CarbonylContact C-O 3.58Å; T95-P97 VanDerWaalsContact C-O 3.24Å; T95-P97 WeakPolarHBondContact CB-O 3.41Å; T95-P97 CarbonylContact O-C 3.57Å; T95-P97 PolarHBondContact OG1-O 3.26Å; P97-F99 HydrophobicContact CG-CE1 3.93Å; P97-F99 WeakPolarHBondContact O-CD1 3.28Å; P97-F99 PolarHBondContact O-N 2.04Å |
| 98 | H | 86.1 | Confident | 87.4 | Confident | 104 Ų | 104 | 59 Ų | 59 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | trans | -68.8 | 114.4 | -176.8 | -172.4 | 61.2 | 0 | 0 | 0 | 110.8 | T95 | T95-H98 VanDerWaalsContact O-CA 3.29Å; T95-H98 WeakPolarHBondContact O-CA 3.3Å; T95-H98 PolarHBondContact O-N 3.44Å | ||
| 99 | F | 83.8 | Confident | 87.4 | Confident | 42 Ų | 42 | 59 Ų | 59 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | trans | -87.8 | 125.7 | 173.8 | -62.7 | -14.3 | 0 | 0 | 0 | 108.9 | V5 H38 L39 T95 P97 G101 V102 | V5-F99 HydrophobicContact CG2-CD2 4.41Å; V5-F99 HydrophobicContact CG2-CE2 4.45Å; H38-F99 HydrophobicContact CB-CE1 4.04Å; H38-F99 HydrophobicContact CB-CZ 3.65Å; L39-F99 HydrophobicContact CD1-CE2 4.44Å; T95-F99 HydrophobicContact CG2-CD2 4.28Å; T95-F99 PolarHBondContact OG1-N 2.84Å; P97-F99 HydrophobicContact CG-CE1 3.93Å; P97-F99 WeakPolarHBondContact O-CD1 3.28Å; P97-F99 PolarHBondContact O-N 2.04Å; F99-G101 PolarHBondContact O-N 3.39Å; F99-V102 HydrophobicContact CB-CB 3.88Å; F99-V102 HydrophobicContact CB-CG2 3.81Å; F99-V102 PolarHBondContact O-N 2.84Å | ||
| 100 | C | 80.8 | Confident | 86.8 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 85% | 0.845 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 128.1 | -179.7 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | V102 | C100-V102 PolarHBondContact O-N 2.85Š|
| 101 | G | 77.9 | Confident | 85.6 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 81% | 0.814 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 2.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F99 | F99-G101 PolarHBondContact O-N 3.39Š|
| 102 | V | 83.3 | Confident | 83.9 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 22% | 0.218 | 33% | 0.333 | C | S | . | . | trans | -107 | 80.9 | 178.1 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | V5 L6 T95 F99 C100 | V5-V102 HydrophobicContact CB-CG1 4.07Å; L6-V102 HydrophobicContact CB-CG1 4.47Å; L6-V102 HydrophobicContact CD1-CG1 3.95Å; L6-V102 HydrophobicContact CG-CG1 3.82Å; T95-V102 HydrophobicContact CG2-CG1 4.01Å; F99-V102 HydrophobicContact CB-CB 3.88Å; F99-V102 HydrophobicContact CB-CG2 3.81Å; F99-V102 PolarHBondContact O-N 2.84Å; C100-V102 PolarHBondContact O-N 2.85Å | ||
| 103 | Q | 86.8 | Confident | 82.3 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.2 | 172.1 | 65.6 | -177.5 | -8.6 | 0 | 0 | 109.9 | L93 R94 | L93-Q103 VanDerWaalsContact O-CA 3.3Å; L93-Q103 WeakPolarHBondContact O-CA 3.46Å; R94-Q103 HydrophobicContact CG-CB 4.34Å |
| 104 | L | 87.8 | Confident | 81 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.5 | 169.3 | -67.2 | 177 | 0 | 0 | 0 | 108.9 | L6 L9 T92 L93 | L6-L104 HydrophobicContact CB-CD1 3.71Å; L6-L104 HydrophobicContact CB-CG 3.86Å; L6-L104 HydrophobicContact CD1-CG 4.08Å; L9-L104 HydrophobicContact CB-CB 3.93Å; L9-L104 HydrophobicContact CB-CD1 3.84Å; L9-L104 HydrophobicContact CD2-CB 3.99Å; T92-L104 CarbonylContact C-O 3.58Å; T92-L104 WeakPolarHBondContact CA-O 3.06Å; L93-L104 HydrophobicContact CB-CB 4.36Å; L93-L104 PolarHBondContact N-O 2.83Å; L93-L104 PolarHBondContact O-N 2.83Å |
| 105 | D | 90.6 | Very high | 80.1 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 47% | 0.465 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.1 | 175.6 | 59.6 | -92.4 | 0 | 0 | 0 | 111.2 | Y90 V91 T92 | Y90-D105 HydrophobicContact CE1-CB 4.08Å; Y90-D105 HydrophobicContact CE2-CB 4.26Å; Y90-D105 VanDerWaalsContact OH-CB 3.32Å; Y90-D105 WeakPolarHBondContact OH-CB 3.44Å; Y90-D105 PolarHBondContact OH-OD2 2.8Å; V91-D105 CarbonylContact O-C 3.54Å; V91-D105 VanDerWaalsContact O-CA 3.24Å; V91-D105 WeakPolarHBondContact O-CA 3.05Å; T92-D105 HydrophobicContact CG2-CB 4.3Å |
| 106 | Q | 88.9 | Confident | 79.6 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 133.9 | 178.6 | -171.9 | -179.4 | 17.3 | 0 | 0 | 109.7 | L9 S11 V91 | L9-Q106 HydrophobicContact CD2-CB 3.94Å; S11-Q106 PolarHBondContact OG-OE1 2.8Å; V91-Q106 PolarHBondContact N-O 3.02Å; V91-Q106 PolarHBondContact O-N 2.84Å |
| 107 | K | 88.8 | Confident | 79.4 | Confident | 157 Ų | 157 | 70.2 Ų | 70.2 | 68% | 0.683 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 131.5 | 166.6 | -70.5 | 178.1 | -177.3 | -177.1 | 0 | 109.4 | L89 Y90 | L89-K107 WeakPolarHBondContact O-CA 3.09Å; Y90-K107 HydrophobicContact CD2-CG 3.81Å; Y90-K107 HydrophobicContact CE2-CG 4.19Å |
| 108 | H | 82.6 | Confident | 79.5 | Confident | 30 Ų | 30 | 75 Ų | 75 | 14% | 0.139 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.2 | 177.7 | -168.9 | 82.8 | 0 | 0 | 0 | 110.4 | S11 T13 L27 L89 V91 | S11-H108 PolarHBondContact OG-ND1 2.83Å; T13-H108 PolarHBondContact OG1-NE2 3.11Å; L27-H108 WeakPolarHBondContact CD1-CD2 3.08Å; L27-H108 VanDerWaalsContact CD1-NE2 3.31Å; L27-H108 WeakPolarHBondContact CD1-NE2 3.26Å; L89-H108 PolarHBondContact N-O 2.73Å; L89-H108 PolarHBondContact O-N 2.78Å; V91-H108 HydrophobicContact CG2-CB 4.18Å |
| 109 | L | 82.5 | Confident | 79.6 | Confident | 89 Ų | 89 | 72.7 Ų | 72.7 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.4 | 170.4 | 176.6 | 60 | 0 | 0 | 0 | 108.2 | E111 | L109-E111 PolarHBondContact O-N 2.69Å; L109-E111 VanDerWaalsContact O-N 3.08Å |
| 110 | V | 77.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | trans | -72.5 | 105 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | T13 L25 V83 S84 A86 Q87 L89 A112 | T13-V110 HydrophobicContact CG2-CG1 3.97Å; L25-V110 HydrophobicContact CD1-CG1 4.23Å; V83-V110 HydrophobicContact CB-CG2 4Å; V83-V110 HydrophobicContact CG2-CG1 4.17Å; V83-V110 HydrophobicContact CG2-CG2 3.9Å; S84-V110 WeakPolarHBondContact O-CB 3.08Å; S84-V110 WeakPolarHBondContact O-CG1 3.08Å; A86-V110 WeakPolarHBondContact CA-O 3.43Å; A86-V110 PolarHBondContact N-O 2.82Å; Q87-V110 HydrophobicContact CB-CG2 4.37Å; Q87-V110 PolarHBondContact O-N 2.9Å; Q87-V110 VanDerWaalsContact O-N 3.08Å; L89-V110 HydrophobicContact CD1-CG2 3.64Å; L89-V110 HydrophobicContact CG-CG2 4.44Å; V110-A112 PolarHBondContact O-N 3.09Å | ||
| 111 | E | 67.8 | Low | 80.1 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | trans | -59.5 | 114.7 | 179 | -66.3 | -169 | 167.2 | 0 | 0 | 110.6 | L109 | L109-E111 PolarHBondContact O-N 2.69Å; L109-E111 VanDerWaalsContact O-N 3.08Å | ||
| 112 | A | 57.8 | Low | 80.6 | Confident | 12 Ų | 12 | 79.4 Ų | 79.4 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | trans | -67.1 | 131.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V85 A86 V110 K114 I191 | V85-A112 HydrophobicContact CB-CB 4.49Å; V85-A112 VanDerWaalsContact CG1-CA 3.41Å; V85-A112 HydrophobicContact CG1-CB 3.05Å; A86-A112 HydrophobicContact CB-CB 4.15Å; V110-A112 PolarHBondContact O-N 3.09Å; A112-K114 PolarHBondContact O-N 2.85Å; A112-K114 VanDerWaalsContact O-N 3.11Å; A112-I191 HydrophobicContact CB-CD1 3.57Å; A112-I191 HydrophobicContact CB-CG1 3.72Å; A112-I191 VanDerWaalsContact O-CD1 3.25Å; A112-I191 WeakPolarHBondContact O-CD1 3.08Å | ||
| 113 | G | 59.4 | Low | 80.8 | Confident | 43 Ų | 43 | 87.2 Ų | 87.2 | 44% | 0.443 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -6.6 | 100 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L115 I191 | G113-L115 PolarHBondContact O-N 2.76Å; G113-I191 WeakPolarHBondContact O-CD1 3.34Å |
| 114 | K | 63.6 | Low | 80.9 | Confident | 147 Ų | 147 | 88.4 Ų | 88.4 | 64% | 0.639 | 40% | 0.403 | S | S | * | . | trans | -58.6 | 108.1 | -174.1 | -169.5 | 169.5 | -171.7 | 157.5 | 0 | 109.9 | A112 S116 | A112-K114 PolarHBondContact O-N 2.85Å; A112-K114 VanDerWaalsContact O-N 3.11Å; K114-S116 PolarHBondContact O-N 2.87Å | ||
| 115 | L | 73.2 | Confident | 81 | Confident | 4 Ų | 4 | 86.5 Ų | 86.5 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | trans | -65.1 | 119.4 | 167.7 | -67.9 | 170.9 | 0 | 0 | 0 | 107.4 | G113 V128 V130 Y139 V141 L179 I193 | G113-L115 PolarHBondContact O-N 2.76Å; L115-V128 HydrophobicContact CB-CG1 4.32Å; L115-V128 HydrophobicContact CD2-CG1 4.17Å; L115-V130 HydrophobicContact CD2-CB 4.48Å; L115-V130 HydrophobicContact CD2-CG2 4.01Å; L115-Y139 HydrophobicContact CD1-CE1 4.1Å; L115-Y139 HydrophobicContact CD2-CD1 4.12Å; L115-Y139 HydrophobicContact CD2-CE1 3.72Å; L115-Y139 HydrophobicContact CG-CE1 4.24Å; L115-V141 HydrophobicContact CD1-CG1 4.39Å; L115-L179 HydrophobicContact CD1-CD2 4.38Å; L115-I193 HydrophobicContact CB-CD1 4.26Å | ||
| 116 | S | 78.6 | Confident | 80.9 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 31% | 0.308 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 137.6 | 167.5 | 42.5 | 0 | 0 | 0 | 0 | 108.6 | K114 Q129 | K114-S116 PolarHBondContact O-N 2.87Å; S116-Q129 PolarHBondContact N-O 2.86Å; S116-Q129 PolarHBondContact O-N 2.84Å; S116-Q129 VanDerWaalsContact OG-CB 3.27Å; S116-Q129 WeakPolarHBondContact OG-CB 3.38Å; S116-Q129 WeakPolarHBondContact OG-CG 3.41Å; S116-Q129 PolarHBondContact OG-O 2.81Å; S116-Q129 PolarHBondContact OG-OE1 3.08Å |
| 117 | Y | 84.9 | Confident | 80.9 | Confident | 86 Ų | 86 | 81.7 Ų | 81.7 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 153.1 | 178.7 | 72.7 | -87.1 | 0 | 0 | 0 | 111.2 | V119 L127 I193 P195 | Y117-V119 HydrophobicContact CD2-CG2 4.25Å; Y117-V119 HydrophobicContact CE2-CG2 4.23Å; Y117-L127 CarbonylContact C-O 3.58Å; Y117-L127 WeakPolarHBondContact CA-O 3.42Å; Y117-I193 HydrophobicContact CD1-CG2 4.12Å; Y117-I193 HydrophobicContact CE1-CG2 3.56Å; Y117-P195 HydrophobicContact CD2-CB 4.29Å; Y117-P195 HydrophobicContact CD2-CG 4.06Å; Y117-P195 HydrophobicContact CE2-CB 3.69Å; Y117-P195 HydrophobicContact CE2-CG 3.81Å |
| 118 | W | 87.6 | Confident | 80.9 | Confident | 166 Ų | 166 | 74.2 Ų | 74.2 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 138.7 | 174.5 | -48 | 95.6 | 0 | 0 | 0 | 108.6 | I126 L127 | W118-I126 CarbonylContact O-C 3.56Å; W118-I126 WeakPolarHBondContact O-CA 3.45Å; W118-L127 HydrophobicContact CB-CB 4.3Å; W118-L127 PolarHBondContact N-O 3.29Å; W118-L127 PolarHBondContact O-N 2.04Å |
| 119 | V | 87.8 | Confident | 80.9 | Confident | 56 Ų | 56 | 76.4 Ų | 76.4 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | Y117 R121 I126 Y172 P195 F196 | Y117-V119 HydrophobicContact CD2-CG2 4.25Å; Y117-V119 HydrophobicContact CE2-CG2 4.23Å; V119-R121 HydrophobicContact CG1-CG 4.04Å; V119-I126 HydrophobicContact CG2-CG1 4.47Å; V119-Y172 HydrophobicContact CG1-CE1 4.42Å; V119-P195 HydrophobicContact CG2-CB 3.94Å; V119-F196 HydrophobicContact CG1-CE1 3.7Å; V119-F196 HydrophobicContact CG1-CZ 3.77Å; V119-F196 HydrophobicContact CG2-CE1 4.44Å; V119-F196 HydrophobicContact CG2-CZ 4.45Å |
| 120 | D | 87.9 | Confident | 80.7 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 92.5 | 170.8 | -174 | -16.5 | 0 | 0 | 0 | 109.3 | R122 R123 K124 A125 | D120-R122 VanDerWaalsContact C-N 3.26Å; D120-R122 PolarHBondContact O-N 3.44Å; D120-R122 WeakPolarHBondContact OD1-CB 3.09Å; D120-R122 PolarHBondContact OD1-N 3.1Å; D120-R123 HydrophobicContact CB-CB 4.41Å; D120-R123 PolarHBondContact O-N 2.83Å; D120-R123 PolarHBondContact OD1-N 3.05Å; D120-R123 WeakPolarHBondContact OD2-CD 3.28Å; D120-R123 VanDerWaalsContact OD2-CG 3.27Å; D120-R123 WeakPolarHBondContact OD2-CG 3.32Å; D120-R123 IonicContact OD2-NE 2.8Å; D120-K124 WeakPolarHBondContact O-CA 3.36Å; D120-K124 PolarHBondContact O-N 3.21Å; D120-A125 PolarHBondContact N-O 2.85Å; D120-A125 PolarHBondContact O-N 3.03Å |
| 121 | R | 87.5 | Confident | 80.3 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.5 | 178.4 | -65.4 | -165.7 | -175.4 | 175.5 | 3 | 113.1 | V119 K124 D199 E201 | V119-R121 HydrophobicContact CG1-CG 4.04Å; R121-K124 PolarHBondContact O-N 3.32Å; R121-D199 IonicContact CZ-OD2 2.62Å; R121-D199 IonicContact NH2-OD1 3.83Å; R121-D199 IonicContact NH2-OD2 3.64Å; R121-D199 PolarHBondContact NH2-OD2 3.3Å; R121-E201 IonicContact CZ-OE2 3.7Å; R121-E201 IonicContact NH1-OE1 2.95Å; R121-E201 PolarHBondContact NH1-OE1 3.18Å; R121-E201 IonicContact NH1-OE2 2.75Å; R121-E201 PolarHBondContact NH1-OE2 3.42Å |
| 122 | R | 87.4 | Confident | 80.1 | Confident | 244 Ų | 244 | 78.8 Ų | 78.8 | 92% | 0.921 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -39.8 | 179.6 | -64.5 | -176 | 178.9 | -170.4 | -0 | 111.1 | D120 | D120-R122 VanDerWaalsContact C-N 3.26Å; D120-R122 PolarHBondContact O-N 3.44Å; D120-R122 WeakPolarHBondContact OD1-CB 3.09Å; D120-R122 PolarHBondContact OD1-N 3.1Å |
| 123 | R | 88.5 | Confident | 80 | Confident | 199 Ų | 199 | 80.7 Ų | 80.7 | 75% | 0.751 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.6 | 177.5 | -61.7 | -174.6 | -176.3 | -171.8 | -1.1 | 113.4 | D120 A125 | D120-R123 HydrophobicContact CB-CB 4.41Å; D120-R123 PolarHBondContact O-N 2.83Å; D120-R123 PolarHBondContact OD1-N 3.05Å; D120-R123 WeakPolarHBondContact OD2-CD 3.28Å; D120-R123 VanDerWaalsContact OD2-CG 3.27Å; D120-R123 WeakPolarHBondContact OD2-CG 3.32Å; D120-R123 IonicContact OD2-NE 2.8Å; R123-A125 VanDerWaalsContact C-N 3.28Å; R123-A125 HydrophobicContact CB-CB 4.4Å; R123-A125 PolarHBondContact O-N 3.17Å |
| 124 | K | 88.8 | Confident | 79.4 | Confident | 117 Ų | 117 | 85 Ų | 85 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 52.6 | -170.7 | -62.8 | -173.1 | 173.1 | -171.2 | 0 | 111.5 | D120 R121 P171 Y172 | D120-K124 WeakPolarHBondContact O-CA 3.36Å; D120-K124 PolarHBondContact O-N 3.21Å; R121-K124 PolarHBondContact O-N 3.32Å; K124-P171 CarbonylContact O-C 3.57Å; K124-P171 WeakPolarHBondContact O-CA 3.44Å; K124-Y172 HydrophobicContact CB-CD2 4.2Å; K124-Y172 HydrophobicContact CB-CE1 4.49Å; K124-Y172 HydrophobicContact CB-CE2 3.92Å; K124-Y172 HydrophobicContact CG-CE2 4.27Å; K124-Y172 VanDerWaalsContact O-CD1 3.3Å; K124-Y172 WeakPolarHBondContact O-CD1 3.31Å; K124-Y172 PolarHBondContact O-N 3.24Å |
| 125 | A | 90.3 | Very high | 79.1 | Confident | 4 Ų | 4 | 82 Ų | 82 | 3% | 0.033 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D120 R123 S169 L170 | D120-A125 PolarHBondContact N-O 2.85Å; D120-A125 PolarHBondContact O-N 3.03Å; R123-A125 VanDerWaalsContact C-N 3.28Å; R123-A125 HydrophobicContact CB-CB 4.4Å; R123-A125 PolarHBondContact O-N 3.17Å; A125-S169 WeakPolarHBondContact CB-OG 3.47Å; A125-L170 CarbonylContact C-O 3.55Å; A125-L170 VanDerWaalsContact CA-O 3.31Å; A125-L170 WeakPolarHBondContact CA-O 3.07Å |
| 126 | I | 88.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.2 | 169.7 | -62.1 | 163.7 | 0 | 0 | 0 | 107.7 | W118 V119 V128 L143 L170 Y172 P177 P195 F196 | W118-I126 CarbonylContact O-C 3.56Å; W118-I126 WeakPolarHBondContact O-CA 3.45Å; V119-I126 HydrophobicContact CG2-CG1 4.47Å; I126-V128 HydrophobicContact CG2-CG2 3.93Å; I126-L143 HydrophobicContact CD1-CD2 3.76Å; I126-L170 PolarHBondContact N-O 3.14Å; I126-L170 PolarHBondContact O-N 2.95Å; I126-Y172 HydrophobicContact CD1-CD1 4.44Å; I126-Y172 HydrophobicContact CG1-CD1 4.08Å; I126-Y172 HydrophobicContact CG1-CE1 4.25Å; I126-P177 HydrophobicContact CD1-CG 4.34Å; I126-P195 HydrophobicContact CD1-CG 4.04Å; I126-F196 HydrophobicContact CD1-CE2 3.94Å; I126-F196 HydrophobicContact CD1-CZ 4.39Å; I126-F196 HydrophobicContact CG1-CZ 4.49Å |
| 127 | L | 89.3 | Confident | 78.1 | Confident | 53 Ų | 53 | 84 Ų | 84 | 28% | 0.277 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.4 | 173.1 | -60.9 | 173.5 | 0 | 0 | 0 | 108.3 | Y117 W118 V167 V168 | Y117-L127 CarbonylContact C-O 3.58Å; Y117-L127 WeakPolarHBondContact CA-O 3.42Å; W118-L127 HydrophobicContact CB-CB 4.3Å; W118-L127 PolarHBondContact N-O 3.29Å; W118-L127 PolarHBondContact O-N 2.04Å; L127-V167 HydrophobicContact CB-CG1 4.21Å; L127-V167 HydrophobicContact CD2-CG1 4.5Å; L127-V168 CarbonylContact C-O 3.57Å; L127-V168 WeakPolarHBondContact CA-O 3.35Å |
| 128 | V | 87.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.6 | -178.9 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | L115 I126 V141 V167 V168 L170 L179 | L115-V128 HydrophobicContact CB-CG1 4.32Å; L115-V128 HydrophobicContact CD2-CG1 4.17Å; I126-V128 HydrophobicContact CG2-CG2 3.93Å; V128-V141 HydrophobicContact CG1-CG1 4.2Å; V128-V167 CarbonylContact O-C 3.41Å; V128-V167 VanDerWaalsContact O-CA 3.26Å; V128-V167 WeakPolarHBondContact O-CA 3.31Å; V128-V168 HydrophobicContact CB-CG2 4.14Å; V128-V168 PolarHBondContact N-O 3.43Å; V128-V168 PolarHBondContact O-N 2.64Å; V128-L170 HydrophobicContact CG2-CD1 3.91Å; V128-L179 HydrophobicContact CB-CD2 4.46Å; V128-L179 HydrophobicContact CG1-CD2 3.92Å; V128-L179 HydrophobicContact CG2-CD1 3.62Å; V128-L179 HydrophobicContact CG2-CD2 3.68Å; V128-L179 HydrophobicContact CG2-CG 4.3Å |
| 129 | Q | 84.6 | Confident | 77.7 | Confident | 76 Ų | 76 | 75.7 Ų | 75.7 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.8 | 175.6 | 174.8 | -179.8 | 15.8 | 0 | 0 | 109.7 | S116 R166 V167 | S116-Q129 PolarHBondContact N-O 2.86Å; S116-Q129 PolarHBondContact O-N 2.84Å; S116-Q129 VanDerWaalsContact OG-CB 3.27Å; S116-Q129 WeakPolarHBondContact OG-CB 3.38Å; S116-Q129 WeakPolarHBondContact OG-CG 3.41Å; S116-Q129 PolarHBondContact OG-O 2.81Å; S116-Q129 PolarHBondContact OG-OE1 3.08Å; Q129-R166 WeakPolarHBondContact CA-O 3.02Å; Q129-V167 HydrophobicContact CB-CG2 4.13Å; Q129-V167 HydrophobicContact CG-CG2 4.26Å |
| 130 | V | 77.4 | Confident | 77.7 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | trans | -88.6 | 136 | 178.7 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | L115 Y139 V159 R166 | L115-V130 HydrophobicContact CD2-CB 4.48Å; L115-V130 HydrophobicContact CD2-CG2 4.01Å; V130-Y139 HydrophobicContact CG1-CD1 4.3Å; V130-Y139 HydrophobicContact CG1-CD2 4.1Å; V130-Y139 HydrophobicContact CG1-CG 3.8Å; V130-Y139 HydrophobicContact CG2-CD1 4.37Å; V130-Y139 HydrophobicContact CG2-CG 4.49Å; V130-V159 HydrophobicContact CB-CG1 4.32Å; V130-V159 HydrophobicContact CG2-CB 4.06Å; V130-V159 HydrophobicContact CG2-CG1 3.95Å; V130-V159 HydrophobicContact CG2-CG2 3.98Å; V130-R166 HydrophobicContact CB-CB 4.33Å; V130-R166 PolarHBondContact N-O 2.82Å | ||
| 131 | P | 68.6 | Low | 77.7 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 37% | 0.37 | 37% | 0.374 | S | S | . | . | trans | -52.5 | 139.1 | -179.9 | -26.9 | 33.7 | 0 | 0 | 0 | 112.8 | R166 | P131-R166 PolarHBondContact O-NH1 3.31Š| ||
| 132 | R | 62.9 | Low | 77.8 | Confident | 195 Ų | 195 | 70.4 Ų | 70.4 | 74% | 0.736 | 36% | 0.359 | S | S | * | . | trans | -82.8 | 110.7 | 173 | -80.1 | -177.9 | 177.4 | 155.3 | -1.8 | 109.8 | V164 | R132-V164 PolarHBondContact NH2-O 2.89Å; R132-V164 VanDerWaalsContact NH2-O 3.15Å | ||
| 133 | A | 55.7 | Low | 77.9 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | trans | -133 | 130.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G135 S136 R166 | A133-G135 PolarHBondContact O-N 2.84Å; A133-S136 WeakPolarHBondContact O-CB 3.29Å; A133-S136 PolarHBondContact O-N 2.67Å; A133-S136 PolarHBondContact O-OG 2.79Å; A133-R166 PolarHBondContact O-NH2 3.3Å | ||
| 134 | S | 48 | Very low | 77.8 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 93% | 0.93 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 127 | 176.2 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | S136 | S134-S136 VanDerWaalsContact C-N 3.33Š|
| 135 | G | 56.8 | Low | 77.6 | Confident | 83 Ų | 83 | 45.7 Ų | 45.7 | 86% | 0.856 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 9.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A133 | A133-G135 PolarHBondContact O-N 2.84Š|
| 136 | S | 62.4 | Low | 76.9 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 141.8 | 175.2 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | A133 S134 A161 R166 | A133-S136 WeakPolarHBondContact O-CB 3.29Å; A133-S136 PolarHBondContact O-N 2.67Å; A133-S136 PolarHBondContact O-OG 2.79Å; S134-S136 VanDerWaalsContact C-N 3.33Å; S136-A161 WeakPolarHBondContact O-CB 3.45Å; S136-R166 PolarHBondContact OG-NH1 3.31Å; S136-R166 PolarHBondContact OG-NH2 3.04Å |
| 137 | P | 69 | Low | 76.2 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 160 | 170.3 | 28.2 | -35.5 | 0 | 0 | 0 | 110.9 | T185 | P137-T185 HydrophobicContact CB-CG2 3.8Å; P137-T185 HydrophobicContact CG-CG2 3.69Å |
| 138 | D | 80.9 | Confident | 75 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 158 | 171.8 | -69.2 | -14.5 | 0 | 0 | 0 | 110.8 | Q158 T160 A161 S183 A184 | D138-Q158 HydrophobicContact CB-CG 4.16Å; D138-Q158 PolarHBondContact OD2-NE2 2.84Å; D138-T160 VanDerWaalsContact OD1-CA 3.25Å; D138-T160 WeakPolarHBondContact OD1-CA 3.42Å; D138-A161 PolarHBondContact OD1-N 3.15Å; D138-A161 VanDerWaalsContact OD1-N 3.1Å; D138-S183 CarbonylContact O-C 3.58Å; D138-A184 HydrophobicContact CB-CB 3.78Å; D138-A184 WeakPolarHBondContact O-CB 3.49Å; D138-A184 PolarHBondContact O-N 2.83Å |
| 139 | Y | 83.1 | Confident | 74 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 12% | 0.122 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.3 | -175.7 | -143.1 | -89.1 | 0 | 0 | 0 | 110.4 | L115 V130 V141 Q158 V159 W182 I191 | L115-Y139 HydrophobicContact CD1-CE1 4.1Å; L115-Y139 HydrophobicContact CD2-CD1 4.12Å; L115-Y139 HydrophobicContact CD2-CE1 3.72Å; L115-Y139 HydrophobicContact CG-CE1 4.24Å; V130-Y139 HydrophobicContact CG1-CD1 4.3Å; V130-Y139 HydrophobicContact CG1-CD2 4.1Å; V130-Y139 HydrophobicContact CG1-CG 3.8Å; V130-Y139 HydrophobicContact CG2-CD1 4.37Å; V130-Y139 HydrophobicContact CG2-CG 4.49Å; Y139-V141 HydrophobicContact CD1-CG1 4.05Å; Y139-V141 HydrophobicContact CE1-CG1 4.5Å; Y139-Q158 CarbonylContact O-C 3.56Å; Y139-V159 PolarHBondContact N-O 2.93Å; Y139-V159 PolarHBondContact O-N 3.35Å; Y139-W182 WeakPolarHBondContact CD1-O 3.12Å; Y139-I191 WeakPolarHBondContact OH-CD1 3.06Å |
| 140 | Y | 86.2 | Confident | 73.4 | Confident | 64 Ų | 64 | 63 Ų | 63 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 136.3 | 174 | -67.4 | -78.6 | 0 | 0 | 0 | 109.7 | P156 V157 Q158 G181 W182 A184 | Y140-P156 HydrophobicContact CD1-CB 4.36Å; Y140-V157 WeakPolarHBondContact CA-O 3.39Å; Y140-Q158 HydrophobicContact CD1-CB 3.94Å; Y140-Q158 HydrophobicContact CD1-CG 4.26Å; Y140-Q158 HydrophobicContact CE1-CB 3.66Å; Y140-Q158 HydrophobicContact CE1-CG 3.76Å; Y140-G181 CarbonylContact O-C 3.55Å; Y140-G181 WeakPolarHBondContact O-CA 3.08Å; Y140-W182 VanDerWaalsContact CB-CZ2 3.49Å; Y140-W182 AromaticContact CD2-NE1 3.45Å; Y140-W182 AromaticContact CG-CE2 3.94Å; Y140-W182 HydrophobicContact CG-CZ2 4.03Å; Y140-W182 AromaticContact CG-NE1 3.8Å; Y140-W182 PolarHBondContact N-O 2.9Å; Y140-W182 PolarHBondContact O-N 2.86Å; Y140-A184 HydrophobicContact CD2-CB 4.07Å; Y140-A184 HydrophobicContact CE2-CB 3.51Å |
| 141 | V | 89 | Confident | 73.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.8 | 172.3 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | L115 V128 Y139 V157 V159 V168 L170 L179 C180 | L115-V141 HydrophobicContact CD1-CG1 4.39Å; V128-V141 HydrophobicContact CG1-CG1 4.2Å; Y139-V141 HydrophobicContact CD1-CG1 4.05Å; Y139-V141 HydrophobicContact CE1-CG1 4.5Å; V141-V157 HydrophobicContact CG2-CB 4.23Å; V141-V157 PolarHBondContact N-O 3Å; V141-V157 PolarHBondContact O-N 3.38Å; V141-V159 HydrophobicContact CG2-CG2 4.2Å; V141-V168 HydrophobicContact CG2-CG2 3.65Å; V141-L170 HydrophobicContact CB-CD1 4.37Å; V141-L170 HydrophobicContact CG2-CD1 4.15Å; V141-L179 HydrophobicContact CB-CD1 4.34Å; V141-C180 CarbonylContact C-O 3.51Å; V141-C180 VanDerWaalsContact CA-O 3.31Å; V141-C180 WeakPolarHBondContact CA-O 3.38Å |
| 142 | R | 89.6 | Confident | 74.4 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 163.4 | 177 | 70.8 | -178.4 | 175 | 177.2 | 14.2 | 111.4 | D152 P156 C180 W182 | R142-D152 IonicContact CZ-OD1 2.64Å; R142-D152 IonicContact CZ-OD2 2.67Å; R142-D152 IonicContact NE-OD1 3.6Å; R142-D152 IonicContact NH1-OD1 2.91Å; R142-D152 PolarHBondContact NH1-OD1 2.79Å; R142-D152 IonicContact NH1-OD2 2.72Å; R142-D152 PolarHBondContact NH1-OD2 2.79Å; R142-D152 IonicContact NH2-OD1 3.77Å; R142-D152 PolarHBondContact NH2-OD1 3.06Å; R142-D152 IonicContact NH2-OD2 2.91Å; R142-P156 HydrophobicContact CB-CB 4.38Å; R142-C180 HydrophobicContact CG-CB 3.96Å; R142-C180 PolarHBondContact N-O 2.99Å; R142-C180 PolarHBondContact O-N 3.15Å; R142-W182 HydrophobicContact CG-CH2 4.21Å; R142-W182 HydrophobicContact CG-CZ3 3.91Å |
| 143 | L | 90 | Very high | 75.3 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 151.5 | 165.9 | -60.1 | -178 | 0 | 0 | 0 | 110.1 | I126 V153 L170 P171 P177 C178 | I126-L143 HydrophobicContact CD1-CD2 3.76Å; L143-V153 HydrophobicContact CB-CB 4.12Å; L143-V153 HydrophobicContact CB-CG1 4.37Å; L143-V153 PolarHBondContact O-N 3.4Å; L143-L170 HydrophobicContact CD1-CB 4.12Å; L143-L170 HydrophobicContact CD2-CB 4.09Å; L143-L170 HydrophobicContact CD2-CD1 4Å; L143-L170 HydrophobicContact CG-CB 4Å; L143-L170 HydrophobicContact CG-CD1 4.25Å; L143-P171 VanDerWaalsContact CD1-O 3.28Å; L143-P171 WeakPolarHBondContact CD1-O 3.41Å; L143-P177 HydrophobicContact CB-CB 3.98Å; L143-P177 HydrophobicContact CD1-CB 4.23Å; L143-P177 HydrophobicContact CD1-CG 4.2Å; L143-P177 HydrophobicContact CD2-CB 4.22Å; L143-P177 HydrophobicContact CD2-CG 4.45Å; L143-P177 HydrophobicContact CG-CB 4.36Å; L143-C178 CarbonylContact C-O 3.6Å; L143-C178 WeakPolarHBondContact CA-O 3.46Å |
| 144 | C | 86.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 160.1 | 174.6 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | C150 E151 P177 C178 C180 | C144-C150 HydrophobicContact CB-CB 3.49Å; C144-C150 VanDerWaalsContact CB-CB 3.49Å; C144-C150 WeakPolarHBondContact CB-SG 3.44Å; C144-C150 WeakPolarHBondContact SG-CB 3.38Å; C144-C150 CovalentContact SG-SG 2.04Å; C144-C150 PolarHBondContact SG-SG 3.05Å; C144-E151 CarbonylContact C-O 3.59Å; C144-E151 WeakPolarHBondContact CA-O 3.24Å; C144-E151 WeakPolarHBondContact CB-O 3.36Å; C144-P177 CarbonylContact O-C 3.52Å; C144-P177 WeakPolarHBondContact O-CA 3.44Å; C144-C178 PolarHBondContact N-O 3.3Å; C144-C178 PolarHBondContact O-N 2.83Å; C144-C180 PolarHBondContact SG-SG 3.19Å |
| 145 | H | 82.8 | Confident | 78.2 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 135.3 | 166.7 | -68.2 | -64.1 | 0 | 0 | 0 | 110.3 | R147 E151 V153 L176 | H145-R147 PolarHBondContact O-N 2.86Å; H145-E151 HydrophobicContact CB-CB 4.42Å; H145-E151 PolarHBondContact N-O 3.26Å; H145-E151 PolarHBondContact O-N 2.79Å; H145-V153 WeakPolarHBondContact CD2-CG2 3.36Å; H145-V153 WeakPolarHBondContact NE2-CG2 3.29Å; H145-L176 PolarHBondContact ND1-O 3.48Å |
| 146 | K | 76.9 | Confident | 79.7 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | trans | -60.2 | 122.2 | 174.3 | -165.8 | 170.8 | -171.1 | 168.9 | 0 | 107.7 | E197 P226 | K146-E197 IonicContact NZ-OE1 3.61Å; K146-E197 PolarHBondContact NZ-OE1 2.81Å; K146-E197 IonicContact NZ-OE2 2.69Å; K146-E197 PolarHBondContact NZ-OE2 3.43Å; K146-P226 HydrophobicContact CG-CG 4.4Å; K146-P226 WeakPolarHBondContact O-CD 3.44Å | ||
| 147 | R | 72.8 | Confident | 80.9 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -141.8 | -154.9 | 162.4 | -59.8 | -170.1 | -176.3 | -96.5 | 6.5 | 107.9 | H145 T149 E151 | H145-R147 PolarHBondContact O-N 2.86Å; R147-T149 VanDerWaalsContact C-N 3.3Å; R147-T149 WeakPolarHBondContact CB-O 3.37Å; R147-E151 IonicContact CZ-OE2 2.62Å; R147-E151 IonicContact NE-OE2 3.15Å; R147-E151 PolarHBondContact NE-OE2 3.37Å; R147-E151 IonicContact NH2-OE2 3.5Å; R147-E151 PolarHBondContact NH2-OE2 2.98Å |
| 148 | F | 65.3 | Low | 81.7 | Confident | 208 Ų | 208 | 61 Ų | 61 | 91% | 0.912 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -62 | -41.8 | 170.8 | -175.5 | -100.4 | 0 | 0 | 0 | 111.4 | ||
| 149 | T | 64.9 | Low | 81.8 | Confident | 104 Ų | 104 | 59 Ų | 59 | 64% | 0.638 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -119.9 | 147.8 | 164.4 | 49.1 | 0 | 0 | 0 | 0 | 108.1 | R147 E151 | R147-T149 VanDerWaalsContact C-N 3.3Å; R147-T149 WeakPolarHBondContact CB-O 3.37Å; T149-E151 PolarHBondContact O-N 3.44Å; T149-E151 VanDerWaalsContact O-N 3.17Å |
| 150 | C | 73.3 | Confident | 81.6 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 12% | 0.122 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 120.9 | -179 | -122.4 | 0 | 0 | 0 | 0 | 110.5 | C144 Q192 | C144-C150 HydrophobicContact CB-CB 3.49Å; C144-C150 VanDerWaalsContact CB-CB 3.49Å; C144-C150 WeakPolarHBondContact CB-SG 3.44Å; C144-C150 WeakPolarHBondContact SG-CB 3.38Å; C144-C150 CovalentContact SG-SG 2.04Å; C144-C150 PolarHBondContact SG-SG 3.05Å; C150-Q192 PolarHBondContact SG-NE2 2.89Å |
| 151 | E | 83.4 | Confident | 80.5 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 123.4 | 176.8 | -179.2 | 177.6 | -145.9 | 0 | 0 | 109.2 | C144 H145 R147 T149 V153 | C144-E151 CarbonylContact C-O 3.59Å; C144-E151 WeakPolarHBondContact CA-O 3.24Å; C144-E151 WeakPolarHBondContact CB-O 3.36Å; H145-E151 HydrophobicContact CB-CB 4.42Å; H145-E151 PolarHBondContact N-O 3.26Å; H145-E151 PolarHBondContact O-N 2.79Å; R147-E151 IonicContact CZ-OE2 2.62Å; R147-E151 IonicContact NE-OE2 3.15Å; R147-E151 PolarHBondContact NE-OE2 3.37Å; R147-E151 IonicContact NH2-OE2 3.5Å; R147-E151 PolarHBondContact NH2-OE2 2.98Å; T149-E151 PolarHBondContact O-N 3.44Å; T149-E151 VanDerWaalsContact O-N 3.17Å; E151-V153 PolarHBondContact O-N 3.02Å |
| 152 | D | 82.5 | Confident | 79.2 | Confident | 92 Ų | 92 | 65.7 Ų | 65.7 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 131.4 | -165.4 | -62.5 | -6.5 | 0 | 0 | 0 | 112.8 | R142 | R142-D152 IonicContact CZ-OD1 2.64Å; R142-D152 IonicContact CZ-OD2 2.67Å; R142-D152 IonicContact NE-OD1 3.6Å; R142-D152 IonicContact NH1-OD1 2.91Å; R142-D152 PolarHBondContact NH1-OD1 2.79Å; R142-D152 IonicContact NH1-OD2 2.72Å; R142-D152 PolarHBondContact NH1-OD2 2.79Å; R142-D152 IonicContact NH2-OD1 3.77Å; R142-D152 PolarHBondContact NH2-OD1 3.06Å; R142-D152 IonicContact NH2-OD2 2.91Å |
| 153 | V | 83.1 | Confident | 77.8 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 99.2 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | L143 H145 E151 | L143-V153 HydrophobicContact CB-CB 4.12Å; L143-V153 HydrophobicContact CB-CG1 4.37Å; L143-V153 PolarHBondContact O-N 3.4Å; H145-V153 WeakPolarHBondContact CD2-CG2 3.36Å; H145-V153 WeakPolarHBondContact NE2-CG2 3.29Å; E151-V153 PolarHBondContact O-N 3.02Å |
| 154 | G | 80.3 | Confident | 76 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 63% | 0.629 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 78.7 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 155 | A | 83.9 | Confident | 74.6 | Confident | 81 Ų | 81 | 78.2 Ų | 78.2 | 67% | 0.669 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 146.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 156 | P | 86.8 | Confident | 74.1 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 139.3 | 172.5 | 29.3 | -33.6 | 0 | 0 | 0 | 111 | Y140 R142 W182 | Y140-P156 HydrophobicContact CD1-CB 4.36Å; R142-P156 HydrophobicContact CB-CB 4.38Å; P156-W182 HydrophobicContact CB-CH2 3.97Å; P156-W182 HydrophobicContact CB-CZ2 4.27Å |
| 157 | V | 88.7 | Confident | 74.3 | Confident | 52 Ų | 52 | 77.7 Ų | 77.7 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124.8 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | Y140 V141 V168 L170 | Y140-V157 WeakPolarHBondContact CA-O 3.39Å; V141-V157 HydrophobicContact CG2-CB 4.23Å; V141-V157 PolarHBondContact N-O 3Å; V141-V157 PolarHBondContact O-N 3.38Å; V157-V168 HydrophobicContact CG1-CB 4.4Å; V157-V168 HydrophobicContact CG1-CG1 4.02Å; V157-L170 HydrophobicContact CB-CD2 4.24Å; V157-L170 HydrophobicContact CG2-CD2 3.62Å |
| 158 | Q | 86.1 | Confident | 75 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 43% | 0.425 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.4 | 174.6 | -171 | 175.8 | -2 | 0 | 0 | 110.1 | D138 Y139 Y140 | D138-Q158 HydrophobicContact CB-CG 4.16Å; D138-Q158 PolarHBondContact OD2-NE2 2.84Å; Y139-Q158 CarbonylContact O-C 3.56Å; Y140-Q158 HydrophobicContact CD1-CB 3.94Å; Y140-Q158 HydrophobicContact CD1-CG 4.26Å; Y140-Q158 HydrophobicContact CE1-CB 3.66Å; Y140-Q158 HydrophobicContact CE1-CG 3.76Å |
| 159 | V | 83.1 | Confident | 76.2 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.03 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 105.8 | 174.5 | -172 | 0 | 0 | 0 | 0 | 107.5 | V130 Y139 V141 R166 V168 | V130-V159 HydrophobicContact CB-CG1 4.32Å; V130-V159 HydrophobicContact CG2-CB 4.06Å; V130-V159 HydrophobicContact CG2-CG1 3.95Å; V130-V159 HydrophobicContact CG2-CG2 3.98Å; Y139-V159 PolarHBondContact N-O 2.93Å; Y139-V159 PolarHBondContact O-N 3.35Å; V141-V159 HydrophobicContact CG2-CG2 4.2Å; V159-R166 HydrophobicContact CG1-CB 4.29Å; V159-V168 HydrophobicContact CG2-CB 4.37Å; V159-V168 HydrophobicContact CG2-CG1 3.78Å; V159-V168 HydrophobicContact CG2-CG2 3.64Å |
| 160 | T | 77.4 | Confident | 77.3 | Confident | 50 Ų | 50 | 63 Ų | 63 | 31% | 0.307 | 39% | 0.388 | S | S | . | . | trans | -75.9 | 141 | -179 | 52 | 0 | 0 | 0 | 0 | 111.8 | D138 N162 N163 | D138-T160 VanDerWaalsContact OD1-CA 3.25Å; D138-T160 WeakPolarHBondContact OD1-CA 3.42Å; T160-N162 PolarHBondContact O-N 2.04Å; T160-N162 VanDerWaalsContact O-N 3.11Å; T160-N163 PolarHBondContact O-N 2.91Å; T160-N163 VanDerWaalsContact O-N 3.16Å; T160-N163 PolarHBondContact OG1-ND2 3.29Å | ||
| 161 | A | 63.9 | Low | 78.1 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 22% | 0.223 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S136 D138 R166 | S136-A161 WeakPolarHBondContact O-CB 3.45Å; D138-A161 PolarHBondContact OD1-N 3.15Å; D138-A161 VanDerWaalsContact OD1-N 3.1Å; A161-R166 PolarHBondContact O-NE 3.32Å; A161-R166 PolarHBondContact O-NH2 3.37Å |
| 162 | N | 62.2 | Low | 78.3 | Confident | 160 Ų | 160 | 63.5 Ų | 63.5 | 86% | 0.856 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.8 | -179.2 | -109.3 | 6.3 | 0 | 0 | 0 | 115.2 | T160 | T160-N162 PolarHBondContact O-N 2.04Å; T160-N162 VanDerWaalsContact O-N 3.11Å |
| 163 | N | 59.7 | Low | 78.2 | Confident | 86 Ų | 86 | 64 Ų | 64 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | trans | -75 | 129.7 | -176.4 | -107.8 | -26.7 | 0 | 0 | 0 | 112.2 | T160 S165 | T160-N163 PolarHBondContact O-N 2.91Å; T160-N163 VanDerWaalsContact O-N 3.16Å; T160-N163 PolarHBondContact OG1-ND2 3.29Å; N163-S165 PolarHBondContact O-N 2.91Å | ||
| 164 | V | 52.6 | Low | 77.9 | Confident | 130 Ų | 130 | 66 Ų | 66 | 79% | 0.788 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -59.9 | -35.2 | -178.7 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | R132 | R132-V164 PolarHBondContact NH2-O 2.89Å; R132-V164 VanDerWaalsContact NH2-O 3.15Å |
| 165 | S | 57.3 | Low | 77.7 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | trans | -112.5 | 103.5 | 168.8 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | N163 V167 | N163-S165 PolarHBondContact O-N 2.91Å; S165-V167 PolarHBondContact O-N 3.49Å | ||
| 166 | R | 71.9 | Confident | 77.3 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | trans | -76.2 | 28.3 | 170.8 | -64.7 | -170.2 | -176.9 | -166.2 | -1.9 | 112.7 | Q129 V130 P131 A133 S136 V159 A161 | Q129-R166 WeakPolarHBondContact CA-O 3.02Å; V130-R166 HydrophobicContact CB-CB 4.33Å; V130-R166 PolarHBondContact N-O 2.82Å; P131-R166 PolarHBondContact O-NH1 3.31Å; A133-R166 PolarHBondContact O-NH2 3.3Å; S136-R166 PolarHBondContact OG-NH1 3.31Å; S136-R166 PolarHBondContact OG-NH2 3.04Å; V159-R166 HydrophobicContact CG1-CB 4.29Å; A161-R166 PolarHBondContact O-NE 3.32Å; A161-R166 PolarHBondContact O-NH2 3.37Å | ||
| 167 | V | 81.7 | Confident | 76.8 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 39% | 0.394 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.8 | 179.2 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | L127 V128 Q129 S165 | L127-V167 HydrophobicContact CB-CG1 4.21Å; L127-V167 HydrophobicContact CD2-CG1 4.5Å; V128-V167 CarbonylContact O-C 3.41Å; V128-V167 VanDerWaalsContact O-CA 3.26Å; V128-V167 WeakPolarHBondContact O-CA 3.31Å; Q129-V167 HydrophobicContact CB-CG2 4.13Å; Q129-V167 HydrophobicContact CG-CG2 4.26Å; S165-V167 PolarHBondContact O-N 3.49Å |
| 168 | V | 87.4 | Confident | 76.6 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143.1 | 176.2 | -78.8 | 0 | 0 | 0 | 0 | 110.4 | L127 V128 V141 V157 V159 | L127-V168 CarbonylContact C-O 3.57Å; L127-V168 WeakPolarHBondContact CA-O 3.35Å; V128-V168 HydrophobicContact CB-CG2 4.14Å; V128-V168 PolarHBondContact N-O 3.43Å; V128-V168 PolarHBondContact O-N 2.64Å; V141-V168 HydrophobicContact CG2-CG2 3.65Å; V157-V168 HydrophobicContact CG1-CB 4.4Å; V157-V168 HydrophobicContact CG1-CG1 4.02Å; V159-V168 HydrophobicContact CG2-CB 4.37Å; V159-V168 HydrophobicContact CG2-CG1 3.78Å; V159-V168 HydrophobicContact CG2-CG2 3.64Å |
| 169 | S | 89.4 | Confident | 76.5 | Confident | 69 Ų | 69 | 52 Ų | 52 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.5 | 179 | -171 | 0 | 0 | 0 | 0 | 109.5 | A125 | A125-S169 WeakPolarHBondContact CB-OG 3.47Å |
| 170 | L | 89.6 | Confident | 76.6 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 105.3 | 177 | -64.7 | 175 | 0 | 0 | 0 | 109 | A125 I126 V128 V141 L143 V157 L179 | A125-L170 CarbonylContact C-O 3.55Å; A125-L170 VanDerWaalsContact CA-O 3.31Å; A125-L170 WeakPolarHBondContact CA-O 3.07Å; I126-L170 PolarHBondContact N-O 3.14Å; I126-L170 PolarHBondContact O-N 2.95Å; V128-L170 HydrophobicContact CG2-CD1 3.91Å; V141-L170 HydrophobicContact CB-CD1 4.37Å; V141-L170 HydrophobicContact CG2-CD1 4.15Å; L143-L170 HydrophobicContact CD1-CB 4.12Å; L143-L170 HydrophobicContact CD2-CB 4.09Å; L143-L170 HydrophobicContact CD2-CD1 4Å; L143-L170 HydrophobicContact CG-CB 4Å; L143-L170 HydrophobicContact CG-CD1 4.25Å; V157-L170 HydrophobicContact CB-CD2 4.24Å; V157-L170 HydrophobicContact CG2-CD2 3.62Å; L170-L179 HydrophobicContact CD1-CD1 3.67Å |
| 171 | P | 89.7 | Confident | 76.9 | Confident | 101 Ų | 101 | 49.6 Ų | 49.6 | 66% | 0.656 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 145.5 | 178.9 | 29.6 | -34 | 0 | 0 | 0 | 111.2 | K124 L143 | K124-P171 CarbonylContact O-C 3.57Å; K124-P171 WeakPolarHBondContact O-CA 3.44Å; L143-P171 VanDerWaalsContact CD1-O 3.28Å; L143-P171 WeakPolarHBondContact CD1-O 3.41Å |
| 172 | Y | 86.6 | Confident | 77.9 | Confident | 18 Ų | 18 | 50 Ų | 50 | 7% | 0.071 | 29% | 0.291 | C | S | . | . | trans | -126.9 | 146.2 | 176.4 | 63.6 | -100.8 | 0 | 0 | 0 | 111.7 | V119 K124 I126 Q174 E175 P177 F196 | V119-Y172 HydrophobicContact CG1-CE1 4.42Å; K124-Y172 HydrophobicContact CB-CD2 4.2Å; K124-Y172 HydrophobicContact CB-CE1 4.49Å; K124-Y172 HydrophobicContact CB-CE2 3.92Å; K124-Y172 HydrophobicContact CG-CE2 4.27Å; K124-Y172 VanDerWaalsContact O-CD1 3.3Å; K124-Y172 WeakPolarHBondContact O-CD1 3.31Å; K124-Y172 PolarHBondContact O-N 3.24Å; I126-Y172 HydrophobicContact CD1-CD1 4.44Å; I126-Y172 HydrophobicContact CG1-CD1 4.08Å; I126-Y172 HydrophobicContact CG1-CE1 4.25Å; Y172-Q174 VanDerWaalsContact CD2-O 3.31Å; Y172-Q174 WeakPolarHBondContact CD2-O 3.34Å; Y172-E175 HydrophobicContact CD2-CG 4.36Å; Y172-E175 HydrophobicContact CE2-CG 3.54Å; Y172-E175 PolarHBondContact OH-OE1 2.91Å; Y172-P177 HydrophobicContact CG-CG 4.44Å; Y172-F196 HydrophobicContact CD1-CZ 4.37Å; Y172-F196 AromaticContact CE1-CZ 3.87Å; Y172-F196 HydrophobicContact CE1-CZ 3.87Å; Y172-F196 HydrophobicContact CE2-CZ 4.41Å; Y172-F196 AromaticContact CZ-CZ 3.87Å | ||
| 173 | S | 80.6 | Confident | 78.6 | Confident | 102 Ų | 102 | 43.5 Ų | 43.5 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -86.5 | -36.7 | 176.7 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 174 | Q | 77.3 | Confident | 79.6 | Confident | 87 Ų | 87 | 41.5 Ų | 41.5 | 41% | 0.407 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -132.3 | 153.8 | -179.5 | -64.9 | 177.5 | 14.7 | 0 | 0 | 109.5 | Y172 L176 P177 V205 | Y172-Q174 VanDerWaalsContact CD2-O 3.31Å; Y172-Q174 WeakPolarHBondContact CD2-O 3.34Å; Q174-L176 PolarHBondContact O-N 3.18Å; Q174-P177 WeakPolarHBondContact O-CD 3.38Å; Q174-V205 HydrophobicContact CB-CG1 4.2Å; Q174-V205 HydrophobicContact CG-CG1 4.23Å |
| 175 | E | 76.9 | Confident | 80.7 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -80.1 | 42.8 | -180 | -65 | -172.2 | 162.7 | 0 | 0 | 112.4 | Y172 F196 A202 | Y172-E175 HydrophobicContact CD2-CG 4.36Å; Y172-E175 HydrophobicContact CE2-CG 3.54Å; Y172-E175 PolarHBondContact OH-OE1 2.91Å; E175-F196 HydrophobicContact CB-CD1 4.03Å; E175-F196 HydrophobicContact CB-CE1 4.11Å; E175-F196 HydrophobicContact CB-CG 4.23Å; E175-F196 HydrophobicContact CB-CZ 4.41Å; E175-F196 HydrophobicContact CG-CE1 4.17Å; E175-F196 HydrophobicContact CG-CZ 4.42Å; E175-F196 WeakPolarHBondContact O-CB 3.45Å; E175-F196 VanDerWaalsContact O-CG 3.31Å; E175-F196 WeakPolarHBondContact O-CG 2.75Å; E175-A202 HydrophobicContact CB-CB 3.95Å; E175-A202 WeakPolarHBondContact O-CB 3.39Å |
| 176 | L | 74.1 | Confident | 81.3 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | trans | -123.2 | 7.3 | -178.9 | -61.9 | 171.5 | 0 | 0 | 0 | 116.6 | H145 Q174 A202 V205 L206 C225 | H145-L176 PolarHBondContact ND1-O 3.48Å; Q174-L176 PolarHBondContact O-N 3.18Å; L176-A202 HydrophobicContact CD2-CB 4.37Å; L176-A202 WeakPolarHBondContact CD2-O 3.31Å; L176-V205 HydrophobicContact CD1-CB 4.46Å; L176-V205 HydrophobicContact CD1-CG1 4.09Å; L176-L206 HydrophobicContact CD1-CD2 3.48Å; L176-L206 VanDerWaalsContact CD1-CD2 3.48Å; L176-L206 HydrophobicContact CD1-CG 4.01Å; L176-L206 HydrophobicContact CD2-CD1 4.23Å; L176-L206 HydrophobicContact CD2-CD2 3.73Å; L176-L206 HydrophobicContact CD2-CG 3.72Å; L176-L206 HydrophobicContact CG-CD2 4.24Å; L176-C225 PolarHBondContact O-SG 3.15Å | ||
| 177 | P | 76.4 | Confident | 81.3 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 145 | 177.1 | 33.9 | -35.6 | 0 | 0 | 0 | 112.2 | I126 L143 C144 Y172 Q174 F196 | I126-P177 HydrophobicContact CD1-CG 4.34Å; L143-P177 HydrophobicContact CB-CB 3.98Å; L143-P177 HydrophobicContact CD1-CB 4.23Å; L143-P177 HydrophobicContact CD1-CG 4.2Å; L143-P177 HydrophobicContact CD2-CB 4.22Å; L143-P177 HydrophobicContact CD2-CG 4.45Å; L143-P177 HydrophobicContact CG-CB 4.36Å; C144-P177 CarbonylContact O-C 3.52Å; C144-P177 WeakPolarHBondContact O-CA 3.44Å; Y172-P177 HydrophobicContact CG-CG 4.44Å; Q174-P177 WeakPolarHBondContact O-CD 3.38Å; P177-F196 HydrophobicContact CG-CD2 4.35Å; P177-F196 HydrophobicContact CG-CE2 3.96Å |
| 178 | C | 84.4 | Confident | 80.7 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 150.5 | 157.6 | -57.2 | 0 | 0 | 0 | 0 | 109.9 | L143 C144 Q192 I193 C194 | L143-C178 CarbonylContact C-O 3.6Å; L143-C178 WeakPolarHBondContact CA-O 3.46Å; C144-C178 PolarHBondContact N-O 3.3Å; C144-C178 PolarHBondContact O-N 2.83Å; C178-Q192 HydrophobicContact CB-CG 4.17Å; C178-I193 CarbonylContact C-O 3.2Å; C178-I193 VanDerWaalsContact CA-O 3.28Å; C178-I193 WeakPolarHBondContact CA-O 3.32Å; C178-I193 VanDerWaalsContact CB-O 3.32Å; C178-I193 WeakPolarHBondContact CB-O 3.3Å; C178-C194 HydrophobicContact CB-CB 4.03Å; C178-C194 WeakPolarHBondContact CB-SG 3.46Å; C178-C194 WeakPolarHBondContact SG-CB 3.4Å; C178-C194 CovalentContact SG-SG 2.04Å; C178-C194 PolarHBondContact SG-SG 2.69Å |
| 179 | L | 84.1 | Confident | 80 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.9 | 168.4 | 175.9 | 62.9 | 0 | 0 | 0 | 109.4 | L115 V128 V141 L170 Q192 I193 | L115-L179 HydrophobicContact CD1-CD2 4.38Å; V128-L179 HydrophobicContact CB-CD2 4.46Å; V128-L179 HydrophobicContact CG1-CD2 3.92Å; V128-L179 HydrophobicContact CG2-CD1 3.62Å; V128-L179 HydrophobicContact CG2-CD2 3.68Å; V128-L179 HydrophobicContact CG2-CG 4.3Å; V141-L179 HydrophobicContact CB-CD1 4.34Å; L170-L179 HydrophobicContact CD1-CD1 3.67Å; L179-Q192 CarbonylContact O-C 3.47Å; L179-Q192 WeakPolarHBondContact O-CA 3.36Å; L179-I193 HydrophobicContact CB-CB 4.46Å; L179-I193 PolarHBondContact N-O 3.05Å; L179-I193 PolarHBondContact O-N 3.05Å |
| 180 | C | 86.3 | Confident | 79.4 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.3 | 167.3 | -95.3 | 0 | 0 | 0 | 0 | 110.8 | V141 R142 C144 I191 | V141-C180 CarbonylContact C-O 3.51Å; V141-C180 VanDerWaalsContact CA-O 3.31Å; V141-C180 WeakPolarHBondContact CA-O 3.38Å; R142-C180 HydrophobicContact CG-CB 3.96Å; R142-C180 PolarHBondContact N-O 2.99Å; R142-C180 PolarHBondContact O-N 3.15Å; C144-C180 PolarHBondContact SG-SG 3.19Å; C180-I191 CarbonylContact C-O 3.59Å; C180-I191 WeakPolarHBondContact CA-O 3.04Å |
| 181 | G | 83.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y140 R190 I191 | Y140-G181 CarbonylContact O-C 3.55Å; Y140-G181 WeakPolarHBondContact O-CA 3.08Å; G181-R190 WeakPolarHBondContact O-CA 3.31Å; G181-I191 PolarHBondContact N-O 2.99Å; G181-I191 PolarHBondContact O-N 2.8Å |
| 182 | W | 82.9 | Confident | 78.3 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 154.8 | 178.9 | 62.7 | 98.5 | 0 | 0 | 0 | 110.6 | Y139 Y140 R142 P156 A188 R190 | Y139-W182 WeakPolarHBondContact CD1-O 3.12Å; Y140-W182 VanDerWaalsContact CB-CZ2 3.49Å; Y140-W182 AromaticContact CD2-NE1 3.45Å; Y140-W182 AromaticContact CG-CE2 3.94Å; Y140-W182 HydrophobicContact CG-CZ2 4.03Å; Y140-W182 AromaticContact CG-NE1 3.8Å; Y140-W182 PolarHBondContact N-O 2.9Å; Y140-W182 PolarHBondContact O-N 2.86Å; R142-W182 HydrophobicContact CG-CH2 4.21Å; R142-W182 HydrophobicContact CG-CZ3 3.91Å; P156-W182 HydrophobicContact CB-CH2 3.97Å; P156-W182 HydrophobicContact CB-CZ2 4.27Å; W182-A188 HydrophobicContact CB-CB 4.12Å; W182-R190 HydrophobicContact CB-CG 4.19Å; W182-R190 HydrophobicContact CE3-CG 4.45Å; W182-R190 HydrophobicContact CG-CG 4.49Å |
| 183 | S | 78.3 | Confident | 78.1 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 154 | 172.7 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | D138 T185 A188 | D138-S183 CarbonylContact O-C 3.58Å; S183-T185 PolarHBondContact O-N 2.62Å; S183-T185 PolarHBondContact OG-OG1 3.2Å; S183-A188 WeakPolarHBondContact O-CB 3.18Å; S183-A188 VanDerWaalsContact OG-CB 3.24Å; S183-A188 WeakPolarHBondContact OG-CB 3.49Å |
| 184 | A | 81.1 | Confident | 78.2 | Confident | 43 Ų | 43 | 47 Ų | 47 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -76.1 | 35.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D138 Y140 | D138-A184 HydrophobicContact CB-CB 3.78Å; D138-A184 WeakPolarHBondContact O-CB 3.49Å; D138-A184 PolarHBondContact O-N 2.83Å; Y140-A184 HydrophobicContact CD2-CB 4.07Å; Y140-A184 HydrophobicContact CE2-CB 3.51Å |
| 185 | T | 75.6 | Confident | 78.6 | Confident | 61 Ų | 61 | 44 Ų | 44 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -102.6 | 148.1 | 173.7 | 51 | 0 | 0 | 0 | 0 | 108.9 | P137 S183 D187 A188 | P137-T185 HydrophobicContact CB-CG2 3.8Å; P137-T185 HydrophobicContact CG-CG2 3.69Å; S183-T185 PolarHBondContact O-N 2.62Å; S183-T185 PolarHBondContact OG-OG1 3.2Å; T185-D187 PolarHBondContact O-N 2.67Å; T185-A188 WeakPolarHBondContact O-CB 3.32Å; T185-A188 PolarHBondContact O-N 3.28Å |
| 186 | P | 70.1 | Confident | 78.8 | Confident | 120 Ų | 120 | 43.2 Ų | 43.2 | 78% | 0.779 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 137.9 | 169.1 | -23 | 33.4 | 0 | 0 | 0 | 110.2 | A188 | P186-A188 PolarHBondContact O-N 3.38Å; P186-A188 VanDerWaalsContact O-N 3.11Å |
| 187 | D | 70.4 | Confident | 78.9 | Confident | 164 Ų | 164 | 47.8 Ų | 47.8 | 88% | 0.877 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 27 | 177.8 | -52.2 | -43.9 | 0 | 0 | 0 | 115.5 | T185 V189 | T185-D187 PolarHBondContact O-N 2.67Å; D187-V189 PolarHBondContact O-N 3.31Å |
| 188 | A | 69.4 | Low | 78.6 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 129.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | W182 S183 T185 P186 R190 | W182-A188 HydrophobicContact CB-CB 4.12Å; S183-A188 WeakPolarHBondContact O-CB 3.18Å; S183-A188 VanDerWaalsContact OG-CB 3.24Å; S183-A188 WeakPolarHBondContact OG-CB 3.49Å; T185-A188 WeakPolarHBondContact O-CB 3.32Å; T185-A188 PolarHBondContact O-N 3.28Å; P186-A188 PolarHBondContact O-N 3.38Å; P186-A188 VanDerWaalsContact O-N 3.11Å; A188-R190 PolarHBondContact O-N 3.35Å |
| 189 | V | 72.3 | Confident | 78.1 | Confident | 71 Ų | 71 | 54.8 Ų | 54.8 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 134.6 | 175.7 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | A86 D187 | A86-V189 HydrophobicContact CB-CB 3.83Å; A86-V189 HydrophobicContact CB-CG1 3.29Å; A86-V189 HydrophobicContact CB-CG2 4.15Å; D187-V189 PolarHBondContact O-N 3.31Å |
| 190 | R | 77.4 | Confident | 77.6 | Confident | 136 Ų | 136 | 58.8 Ų | 58.8 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 122.2 | 178.2 | -63.9 | 176.8 | -178.7 | -107.1 | 4.1 | 109.7 | G181 W182 A188 | G181-R190 WeakPolarHBondContact O-CA 3.31Å; W182-R190 HydrophobicContact CB-CG 4.19Å; W182-R190 HydrophobicContact CE3-CG 4.45Å; W182-R190 HydrophobicContact CG-CG 4.49Å; A188-R190 PolarHBondContact O-N 3.35Å |
| 191 | I | 77 | Confident | 77.1 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.2 | 169.4 | -53.6 | 177.5 | 0 | 0 | 0 | 107.5 | A112 G113 Y139 C180 G181 I193 | A112-I191 HydrophobicContact CB-CD1 3.57Å; A112-I191 HydrophobicContact CB-CG1 3.72Å; A112-I191 VanDerWaalsContact O-CD1 3.25Å; A112-I191 WeakPolarHBondContact O-CD1 3.08Å; G113-I191 WeakPolarHBondContact O-CD1 3.34Å; Y139-I191 WeakPolarHBondContact OH-CD1 3.06Å; C180-I191 CarbonylContact C-O 3.59Å; C180-I191 WeakPolarHBondContact CA-O 3.04Å; G181-I191 PolarHBondContact N-O 2.99Å; G181-I191 PolarHBondContact O-N 2.8Å; I191-I193 HydrophobicContact CG2-CD1 4.11Å; I191-I193 HydrophobicContact CG2-CG1 4.02Å |
| 192 | Q | 79.6 | Confident | 76.6 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.9 | 172.2 | -175.9 | -178.5 | -11.8 | 0 | 0 | 109.6 | C150 C178 L179 | C150-Q192 PolarHBondContact SG-NE2 2.89Å; C178-Q192 HydrophobicContact CB-CG 4.17Å; L179-Q192 CarbonylContact O-C 3.47Å; L179-Q192 WeakPolarHBondContact O-CA 3.36Å |
| 193 | I | 82.3 | Confident | 76.1 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 20% | 0.2 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.3 | 178.5 | -60.1 | 169.2 | 0 | 0 | 0 | 107.1 | L115 Y117 C178 L179 I191 P195 | L115-I193 HydrophobicContact CB-CD1 4.26Å; Y117-I193 HydrophobicContact CD1-CG2 4.12Å; Y117-I193 HydrophobicContact CE1-CG2 3.56Å; C178-I193 CarbonylContact C-O 3.2Å; C178-I193 VanDerWaalsContact CA-O 3.28Å; C178-I193 WeakPolarHBondContact CA-O 3.32Å; C178-I193 VanDerWaalsContact CB-O 3.32Å; C178-I193 WeakPolarHBondContact CB-O 3.3Å; L179-I193 HydrophobicContact CB-CB 4.46Å; L179-I193 PolarHBondContact N-O 3.05Å; L179-I193 PolarHBondContact O-N 3.05Å; I191-I193 HydrophobicContact CG2-CD1 4.11Å; I191-I193 HydrophobicContact CG2-CG1 4.02Å; I193-P195 WeakPolarHBondContact O-CD 3.44Å |
| 194 | C | 83.3 | Confident | 75.9 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | trans | -114.6 | 93.2 | -179.6 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | C178 F196 E197 | C178-C194 HydrophobicContact CB-CB 4.03Å; C178-C194 WeakPolarHBondContact CB-SG 3.46Å; C178-C194 WeakPolarHBondContact SG-CB 3.4Å; C178-C194 CovalentContact SG-SG 2.04Å; C178-C194 PolarHBondContact SG-SG 2.69Å; C194-F196 PolarHBondContact O-N 2.8Å; C194-F196 VanDerWaalsContact O-N 3.15Å; C194-E197 HydrophobicContact CB-CB 3.96Å; C194-E197 PolarHBondContact O-N 3.5Å | ||
| 195 | P | 83.8 | Confident | 75.6 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 16% | 0.156 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.7 | -173.7 | -28.2 | 37.3 | 0 | 0 | 0 | 114.7 | Y117 V119 I126 I193 | Y117-P195 HydrophobicContact CD2-CB 4.29Å; Y117-P195 HydrophobicContact CD2-CG 4.06Å; Y117-P195 HydrophobicContact CE2-CB 3.69Å; Y117-P195 HydrophobicContact CE2-CG 3.81Å; V119-P195 HydrophobicContact CG2-CB 3.94Å; I126-P195 HydrophobicContact CD1-CG 4.04Å; I193-P195 WeakPolarHBondContact O-CD 3.44Å |
| 196 | F | 82.3 | Confident | 75.5 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 9.1 | -172.8 | -52.8 | -70.4 | 0 | 0 | 0 | 113.8 | V119 I126 Y172 E175 P177 C194 N198 D199 A202 | V119-F196 HydrophobicContact CG1-CE1 3.7Å; V119-F196 HydrophobicContact CG1-CZ 3.77Å; V119-F196 HydrophobicContact CG2-CE1 4.44Å; V119-F196 HydrophobicContact CG2-CZ 4.45Å; I126-F196 HydrophobicContact CD1-CE2 3.94Å; I126-F196 HydrophobicContact CD1-CZ 4.39Å; I126-F196 HydrophobicContact CG1-CZ 4.49Å; Y172-F196 HydrophobicContact CD1-CZ 4.37Å; Y172-F196 AromaticContact CE1-CZ 3.87Å; Y172-F196 HydrophobicContact CE1-CZ 3.87Å; Y172-F196 HydrophobicContact CE2-CZ 4.41Å; Y172-F196 AromaticContact CZ-CZ 3.87Å; E175-F196 HydrophobicContact CB-CD1 4.03Å; E175-F196 HydrophobicContact CB-CE1 4.11Å; E175-F196 HydrophobicContact CB-CG 4.23Å; E175-F196 HydrophobicContact CB-CZ 4.41Å; E175-F196 HydrophobicContact CG-CE1 4.17Å; E175-F196 HydrophobicContact CG-CZ 4.42Å; E175-F196 WeakPolarHBondContact O-CB 3.45Å; E175-F196 VanDerWaalsContact O-CG 3.31Å; E175-F196 WeakPolarHBondContact O-CG 2.75Å; P177-F196 HydrophobicContact CG-CD2 4.35Å; P177-F196 HydrophobicContact CG-CE2 3.96Å; C194-F196 PolarHBondContact O-N 2.8Å; C194-F196 VanDerWaalsContact O-N 3.15Å; F196-N198 PolarHBondContact O-N 3.37Å; F196-D199 HydrophobicContact CB-CB 4.3Å; F196-D199 PolarHBondContact O-N 3.31Å; F196-D199 VanDerWaalsContact O-N 3.13Å; F196-A202 HydrophobicContact CB-CB 3.8Å |
| 197 | E | 75.6 | Confident | 75.7 | Confident | 110 Ų | 110 | 59.3 Ų | 59.3 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.5 | -172.3 | 180 | 161.3 | -167.1 | 0 | 0 | 113.5 | K146 C194 | K146-E197 IonicContact NZ-OE1 3.61Å; K146-E197 PolarHBondContact NZ-OE1 2.81Å; K146-E197 IonicContact NZ-OE2 2.69Å; K146-E197 PolarHBondContact NZ-OE2 3.43Å; C194-E197 HydrophobicContact CB-CB 3.96Å; C194-E197 PolarHBondContact O-N 3.5Å |
| 198 | N | 71.1 | Confident | 75.8 | Confident | 130 Ų | 130 | 56.9 Ų | 56.9 | 70% | 0.695 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 14.3 | 179.7 | -66.4 | -20.3 | 0 | 0 | 0 | 113 | F196 | F196-N198 PolarHBondContact O-N 3.37Š|
| 199 | D | 74.1 | Confident | 76.1 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | trans | -88.1 | 122 | -175.8 | -165.4 | -34.9 | 0 | 0 | 0 | 110.6 | R121 F196 E201 A202 L203 | R121-D199 IonicContact CZ-OD2 2.62Å; R121-D199 IonicContact NH2-OD1 3.83Å; R121-D199 IonicContact NH2-OD2 3.64Å; R121-D199 PolarHBondContact NH2-OD2 3.3Å; F196-D199 HydrophobicContact CB-CB 4.3Å; F196-D199 PolarHBondContact O-N 3.31Å; F196-D199 VanDerWaalsContact O-N 3.13Å; D199-E201 VanDerWaalsContact C-N 3.33Å; D199-E201 PolarHBondContact O-N 2.95Å; D199-E201 PolarHBondContact OD1-N 3.47Å; D199-A202 HydrophobicContact CB-CB 3.85Å; D199-A202 PolarHBondContact O-N 3.03Å; D199-L203 WeakPolarHBondContact O-CD1 3.49Å; D199-L203 WeakPolarHBondContact O-CG 3.45Å; D199-L203 PolarHBondContact O-N 3.06Å; D199-L203 VanDerWaalsContact O-N 3.07Å | ||
| 200 | T | 73.9 | Confident | 76.8 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.6 | -32 | -177.8 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | L203 E204 | T200-L203 PolarHBondContact O-N 3.28Å; T200-E204 PolarHBondContact O-N 2.75Å |
| 201 | E | 74.9 | Confident | 77.2 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.4 | -41.5 | 178.2 | -68.8 | 174.1 | -139.4 | 0 | 0 | 110.4 | R121 D199 L203 E204 V205 | R121-E201 IonicContact CZ-OE2 3.7Å; R121-E201 IonicContact NH1-OE1 2.95Å; R121-E201 PolarHBondContact NH1-OE1 3.18Å; R121-E201 IonicContact NH1-OE2 2.75Å; R121-E201 PolarHBondContact NH1-OE2 3.42Å; D199-E201 VanDerWaalsContact C-N 3.33Å; D199-E201 PolarHBondContact O-N 2.95Å; D199-E201 PolarHBondContact OD1-N 3.47Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.08Å; E201-E204 WeakPolarHBondContact O-CB 3.43Å; E201-E204 PolarHBondContact O-N 3.41Å; E201-E204 VanDerWaalsContact O-N 3.08Å; E201-V205 PolarHBondContact O-N 3.32Å |
| 202 | A | 73.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E175 L176 F196 D199 E204 V205 | E175-A202 HydrophobicContact CB-CB 3.95Å; E175-A202 WeakPolarHBondContact O-CB 3.39Å; L176-A202 HydrophobicContact CD2-CB 4.37Å; L176-A202 WeakPolarHBondContact CD2-O 3.31Å; F196-A202 HydrophobicContact CB-CB 3.8Å; D199-A202 HydrophobicContact CB-CB 3.85Å; D199-A202 PolarHBondContact O-N 3.03Å; A202-E204 PolarHBondContact O-N 3.07Å; A202-V205 WeakPolarHBondContact O-CB 3.5Å; A202-V205 PolarHBondContact O-N 3.13Å |
| 203 | L | 71.8 | Confident | 78.2 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -30.1 | 175.5 | -81 | 156.8 | 0 | 0 | 0 | 112.4 | D199 T200 E201 L206 W207 W279 | D199-L203 WeakPolarHBondContact O-CD1 3.49Å; D199-L203 WeakPolarHBondContact O-CG 3.45Å; D199-L203 PolarHBondContact O-N 3.06Å; D199-L203 VanDerWaalsContact O-N 3.07Å; T200-L203 PolarHBondContact O-N 3.28Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.08Å; L203-L206 HydrophobicContact CD2-CD1 4.07Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; L203-W207 PolarHBondContact O-NE1 3.49Å; L203-W279 HydrophobicContact CB-CH2 4.45Å; L203-W279 HydrophobicContact CB-CZ2 3.93Å; L203-W279 HydrophobicContact CD1-CH2 3.89Å; L203-W279 HydrophobicContact CD1-CZ2 3.91Å; L203-W279 HydrophobicContact CG-CZ2 4.45Å |
| 204 | E | 74.2 | Confident | 78.3 | Confident | 120 Ų | 120 | 55.9 Ų | 55.9 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.8 | -39.4 | 173.7 | -72.9 | -167.9 | 167.1 | 0 | 0 | 112.3 | T200 E201 A202 L206 W207 | T200-E204 PolarHBondContact O-N 2.75Å; E201-E204 WeakPolarHBondContact O-CB 3.43Å; E201-E204 PolarHBondContact O-N 3.41Å; E201-E204 VanDerWaalsContact O-N 3.08Å; A202-E204 PolarHBondContact O-N 3.07Å; E204-L206 PolarHBondContact O-N 3.18Å; E204-W207 VanDerWaalsContact O-CB 3.31Å; E204-W207 WeakPolarHBondContact O-CB 3.46Å; E204-W207 PolarHBondContact O-N 3.13Å |
| 205 | V | 74.9 | Confident | 78.4 | Confident | 37 Ų | 37 | 67 Ų | 67 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -29.6 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | Q174 L176 E201 A202 W207 D208 | Q174-V205 HydrophobicContact CB-CG1 4.2Å; Q174-V205 HydrophobicContact CG-CG1 4.23Å; L176-V205 HydrophobicContact CD1-CB 4.46Å; L176-V205 HydrophobicContact CD1-CG1 4.09Å; E201-V205 PolarHBondContact O-N 3.32Å; A202-V205 WeakPolarHBondContact O-CB 3.5Å; A202-V205 PolarHBondContact O-N 3.13Å; V205-W207 PolarHBondContact O-N 2.94Å; V205-W207 VanDerWaalsContact O-N 3.13Å; V205-D208 PolarHBondContact O-N 3.19Å |
| 206 | L | 74.6 | Confident | 78.6 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -61.7 | -19.8 | 174.4 | -68.2 | 169.9 | 0 | 0 | 0 | 113.6 | L176 L203 E204 T209 W221 P223 V227 | L176-L206 HydrophobicContact CD1-CD2 3.48Å; L176-L206 VanDerWaalsContact CD1-CD2 3.48Å; L176-L206 HydrophobicContact CD1-CG 4.01Å; L176-L206 HydrophobicContact CD2-CD1 4.23Å; L176-L206 HydrophobicContact CD2-CD2 3.73Å; L176-L206 HydrophobicContact CD2-CG 3.72Å; L176-L206 HydrophobicContact CG-CD2 4.24Å; L203-L206 HydrophobicContact CD2-CD1 4.07Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; E204-L206 PolarHBondContact O-N 3.18Å; L206-T209 PolarHBondContact O-OG1 3.33Å; L206-W221 PolarHBondContact O-NE1 2.92Å; L206-P223 HydrophobicContact CD2-CB 4.01Å; L206-V227 HydrophobicContact CD1-CG1 3.66Å |
| 207 | W | 73.6 | Confident | 78.9 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -81.9 | -14.4 | -179.8 | -67.5 | 86.1 | 0 | 0 | 0 | 113.5 | L203 E204 V205 T209 V210 W221 V231 L270 F272 W279 R281 | L203-W207 PolarHBondContact O-NE1 3.49Å; E204-W207 VanDerWaalsContact O-CB 3.31Å; E204-W207 WeakPolarHBondContact O-CB 3.46Å; E204-W207 PolarHBondContact O-N 3.13Å; V205-W207 PolarHBondContact O-N 2.94Å; V205-W207 VanDerWaalsContact O-N 3.13Å; W207-T209 PolarHBondContact O-N 3.18Å; W207-V210 HydrophobicContact CE3-CG2 3.86Å; W207-V210 HydrophobicContact CZ3-CG2 4.09Å; W207-V210 WeakPolarHBondContact O-CG2 3.31Å; W207-V210 PolarHBondContact O-N 3.26Å; W207-W221 HydrophobicContact CH2-CD2 4.28Å; W207-W221 HydrophobicContact CH2-CE3 4.41Å; W207-W221 AromaticContact CH2-CH2 3.98Å; W207-W221 HydrophobicContact CH2-CH2 3.98Å; W207-W221 AromaticContact CH2-CZ2 3.84Å; W207-W221 HydrophobicContact CH2-CZ2 3.84Å; W207-W221 HydrophobicContact CH2-CZ3 4.28Å; W207-W221 AromaticContact CZ2-CH2 3.94Å; W207-W221 HydrophobicContact CZ2-CH2 3.94Å; W207-W221 AromaticContact CZ2-CZ2 3.72Å; W207-W221 HydrophobicContact CZ2-CZ2 3.72Å; W207-V231 HydrophobicContact CH2-CG2 4.5Å; W207-L270 HydrophobicContact CZ3-CB 4.43Å; W207-L270 HydrophobicContact CZ3-CD2 3.8Å; W207-L270 HydrophobicContact CZ3-CG 4.19Å; W207-F272 HydrophobicContact CH2-CB 3.06Å; W207-F272 HydrophobicContact CH2-CD1 4.33Å; W207-F272 AromaticContact CH2-CG 3.85Å; W207-F272 HydrophobicContact CH2-CG 3.85Å; W207-F272 HydrophobicContact CZ2-CB 2.98Å; W207-F272 AromaticContact CZ2-CD1 3.43Å; W207-F272 HydrophobicContact CZ2-CD1 3.43Å; W207-F272 VanDerWaalsContact CZ2-CD1 3.43Å; W207-F272 HydrophobicContact CZ2-CD2 4.38Å; W207-F272 HydrophobicContact CZ2-CE1 4.4Å; W207-F272 AromaticContact CZ2-CG 3.41Å; W207-F272 HydrophobicContact CZ2-CG 3.41Å; W207-F272 VanDerWaalsContact CZ2-CG 3.41Å; W207-F272 HydrophobicContact CZ3-CB 4.12Å; W207-W279 HydrophobicContact CD2-CB 4.23Å; W207-W279 HydrophobicContact CG-CB 4.46Å; W207-W279 AromaticContact NE1-CG 3.79Å; W207-R281 HydrophobicContact CE3-CB 3.87Å |
| 208 | D | 72.1 | Confident | 79.6 | Confident | 112 Ų | 112 | 68 Ų | 68 | 60% | 0.599 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -69.7 | -13.2 | 177.1 | -72.1 | -23.2 | 0 | 0 | 0 | 112.4 | V205 | V205-D208 PolarHBondContact O-N 3.19Š|
| 209 | T | 76.6 | Confident | 80.6 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -91.2 | 5.3 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | L206 W207 Y211 W221 E222 | L206-T209 PolarHBondContact O-OG1 3.33Å; W207-T209 PolarHBondContact O-N 3.18Å; T209-Y211 PolarHBondContact O-N 3.34Å; T209-W221 PolarHBondContact OG1-NE1 3.29Å; T209-E222 PolarHBondContact OG1-O 3.3Å |
| 210 | V | 86.4 | Confident | 81.3 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 115.1 | 173.1 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | W207 L219 W221 L270 R281 | W207-V210 HydrophobicContact CE3-CG2 3.86Å; W207-V210 HydrophobicContact CZ3-CG2 4.09Å; W207-V210 WeakPolarHBondContact O-CG2 3.31Å; W207-V210 PolarHBondContact O-N 3.26Å; V210-L219 HydrophobicContact CG1-CD1 3.89Å; V210-W221 HydrophobicContact CG2-CB 4.15Å; V210-W221 VanDerWaalsContact CG2-CD1 3.41Å; V210-W221 HydrophobicContact CG2-CG 3.86Å; V210-L270 HydrophobicContact CG1-CD2 4Å; V210-L270 HydrophobicContact CG2-CD2 3.81Å; V210-R281 HydrophobicContact CB-CG 4.46Å |
| 211 | Y | 86.9 | Confident | 82.1 | Confident | 115 Ų | 115 | 57.2 Ų | 57.2 | 45% | 0.451 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.8 | -173.9 | -170.2 | -96.5 | 0 | 0 | 0 | 112.7 | T209 H213 S220 | T209-Y211 PolarHBondContact O-N 3.34Å; Y211-H213 AromaticContact CD1-CD2 3.9Å; Y211-H213 AromaticContact CD1-CE1 3.46Å; Y211-H213 VanDerWaalsContact CD1-CE1 3.46Å; Y211-H213 WeakPolarHBondContact CD1-CE1 3.5Å; Y211-H213 AromaticContact CD1-CG 3.89Å; Y211-H213 AromaticContact CD1-ND1 3.62Å; Y211-H213 AromaticContact CD1-NE2 3.64Å; Y211-H213 AromaticContact CE1-CE1 3.68Å; Y211-H213 AromaticContact CE1-CG 3.94Å; Y211-H213 AromaticContact CE1-ND1 3.45Å; Y211-H213 WeakPolarHBondContact CE1-ND1 3.45Å; Y211-S220 PolarHBondContact N-O 2.9Å; Y211-S220 PolarHBondContact O-N 2.89Å; Y211-S220 PolarHBondContact O-OG 2.9Å; Y211-S220 VanDerWaalsContact O-OG 3.13Å |
| 212 | Y | 88.1 | Confident | 82.7 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.4 | 172.3 | -179.5 | -105.3 | 0 | 0 | 0 | 110.6 | P214 Q217 L219 V262 T264 F284 F289 | Y212-P214 HydrophobicContact CD1-CG 4.2Å; Y212-P214 HydrophobicContact CE1-CB 4.25Å; Y212-P214 HydrophobicContact CE1-CG 4.36Å; Y212-P214 VanDerWaalsContact O-CD 3.3Å; Y212-P214 WeakPolarHBondContact O-CD 3.38Å; Y212-Q217 WeakPolarHBondContact OH-CA 3.36Å; Y212-L219 HydrophobicContact CD2-CB 4.33Å; Y212-V262 HydrophobicContact CE2-CB 4.28Å; Y212-V262 VanDerWaalsContact CE2-O 3.32Å; Y212-V262 WeakPolarHBondContact CE2-O 3.33Å; Y212-V262 PolarHBondContact OH-O 3.23Å; Y212-T264 HydrophobicContact CD1-CG2 4.23Å; Y212-T264 HydrophobicContact CE1-CG2 3.46Å; Y212-T264 VanDerWaalsContact CE1-CG2 3.46Å; Y212-T264 HydrophobicContact CE2-CG2 4.39Å; Y212-T264 WeakPolarHBondContact OH-CG2 3.34Å; Y212-F284 AromaticContact CD1-CE1 3.96Å; Y212-F284 HydrophobicContact CD1-CE1 3.96Å; Y212-F284 AromaticContact CD2-CE1 3.77Å; Y212-F284 HydrophobicContact CD2-CE1 3.77Å; Y212-F284 AromaticContact CD2-CZ 3.62Å; Y212-F284 HydrophobicContact CD2-CZ 3.62Å; Y212-F284 HydrophobicContact CE1-CE1 4.38Å; Y212-F284 HydrophobicContact CE2-CE1 4.2Å; Y212-F284 HydrophobicContact CE2-CZ 4.01Å; Y212-F284 AromaticContact CG-CE1 3.62Å; Y212-F284 HydrophobicContact CG-CE1 3.62Å; Y212-F284 AromaticContact CG-CZ 3.95Å; Y212-F284 HydrophobicContact CG-CZ 3.95Å; Y212-F289 HydrophobicContact CD1-CZ 4.47Å |
| 213 | H | 88.5 | Confident | 83 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 35% | 0.352 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 106.9 | 175 | -63.8 | -82.2 | 0 | 0 | 0 | 110.2 | Y211 R215 S216 Q217 T218 S220 | Y211-H213 AromaticContact CD1-CD2 3.9Å; Y211-H213 AromaticContact CD1-CE1 3.46Å; Y211-H213 VanDerWaalsContact CD1-CE1 3.46Å; Y211-H213 WeakPolarHBondContact CD1-CE1 3.5Å; Y211-H213 AromaticContact CD1-CG 3.89Å; Y211-H213 AromaticContact CD1-ND1 3.62Å; Y211-H213 AromaticContact CD1-NE2 3.64Å; Y211-H213 AromaticContact CE1-CE1 3.68Å; Y211-H213 AromaticContact CE1-CG 3.94Å; Y211-H213 AromaticContact CE1-ND1 3.45Å; Y211-H213 WeakPolarHBondContact CE1-ND1 3.45Å; H213-R215 PolarHBondContact O-N 3.16Å; H213-S216 WeakPolarHBondContact CB-OG 3.47Å; H213-S216 PolarHBondContact O-N 3.03Å; H213-Q217 WeakPolarHBondContact O-CA 3.46Å; H213-Q217 PolarHBondContact O-N 3.22Å; H213-T218 PolarHBondContact N-O 3.37Å; H213-T218 PolarHBondContact O-N 2.92Å; H213-S220 PolarHBondContact CD2-OG 3.43Å; H213-S220 PolarHBondContact NE2-OG 3.15Å; H213-S220 VanDerWaalsContact NE2-OG 3.08Å |
| 214 | P | 85.1 | Confident | 83.3 | Confident | 75 Ų | 75 | 57.3 Ų | 57.3 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -34.7 | -173.4 | -21.7 | 34.6 | 0 | 0 | 0 | 113.8 | Y212 Q217 | Y212-P214 HydrophobicContact CD1-CG 4.2Å; Y212-P214 HydrophobicContact CE1-CB 4.25Å; Y212-P214 HydrophobicContact CE1-CG 4.36Å; Y212-P214 VanDerWaalsContact O-CD 3.3Å; Y212-P214 WeakPolarHBondContact O-CD 3.38Å; P214-Q217 PolarHBondContact O-N 2.93Å |
| 215 | R | 85.1 | Confident | 83.3 | Confident | 256 Ų | 256 | 52.3 Ų | 52.3 | 97% | 0.966 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -40.2 | -177.9 | -64 | -171.8 | -155.1 | -135.3 | 4.4 | 112.8 | H213 | H213-R215 PolarHBondContact O-N 3.16Š|
| 216 | S | 87.6 | Confident | 83.3 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 43% | 0.427 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2.8 | -179.1 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | H213 T218 | H213-S216 WeakPolarHBondContact CB-OG 3.47Å; H213-S216 PolarHBondContact O-N 3.03Å; S216-T218 WeakPolarHBondContact CB-OG1 3.41Å; S216-T218 PolarHBondContact O-N 3.08Å; S216-T218 PolarHBondContact O-OG1 3.37Å; S216-T218 WeakPolarHBondContact OG-CB 3.4Å; S216-T218 PolarHBondContact OG-OG1 3.31Å |
| 217 | Q | 88.9 | Confident | 83.3 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 37.3 | -174.1 | -57.8 | 175.4 | 13.9 | 0 | 0 | 112.5 | Y212 H213 P214 L261 V262 | Y212-Q217 WeakPolarHBondContact OH-CA 3.36Å; H213-Q217 WeakPolarHBondContact O-CA 3.46Å; H213-Q217 PolarHBondContact O-N 3.22Å; P214-Q217 PolarHBondContact O-N 2.93Å; Q217-L261 WeakPolarHBondContact O-CA 3.35Å; Q217-L261 PolarHBondContact O-N 3.13Å; Q217-V262 PolarHBondContact O-N 3.48Å |
| 218 | T | 90.4 | Very high | 83.5 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.3 | -171.8 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | H213 S216 Q258 Y259 | H213-T218 PolarHBondContact N-O 3.37Å; H213-T218 PolarHBondContact O-N 2.92Å; S216-T218 WeakPolarHBondContact CB-OG1 3.41Å; S216-T218 PolarHBondContact O-N 3.08Å; S216-T218 PolarHBondContact O-OG1 3.37Å; S216-T218 WeakPolarHBondContact OG-CB 3.4Å; S216-T218 PolarHBondContact OG-OG1 3.31Å; T218-Q258 HydrophobicContact CG2-CB 4.12Å; T218-Q258 HydrophobicContact CG2-CG 4.39Å; T218-Y259 WeakPolarHBondContact CA-O 3.42Å |
| 219 | L | 90.9 | Very high | 84.1 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.4 | 166.3 | -176.2 | 64.3 | 0 | 0 | 0 | 108.6 | V210 Y212 L233 Q258 Y259 V262 L270 P283 | V210-L219 HydrophobicContact CG1-CD1 3.89Å; Y212-L219 HydrophobicContact CD2-CB 4.33Å; L219-L233 HydrophobicContact CD2-CD2 3.94Å; L219-Q258 CarbonylContact O-C 3.56Å; L219-Q258 WeakPolarHBondContact O-CA 3.3Å; L219-Y259 PolarHBondContact N-O 2.99Å; L219-Y259 PolarHBondContact O-N 3.36Å; L219-V262 HydrophobicContact CB-CB 4.3Å; L219-V262 HydrophobicContact CB-CG1 4.34Å; L219-V262 HydrophobicContact CB-CG2 4.11Å; L219-L270 HydrophobicContact CD2-CD1 4.08Å; L219-P283 HydrophobicContact CD1-CG 3.87Å |
| 220 | S | 90.3 | Very high | 84.7 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.1 | -177.5 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | Y211 H213 V257 | Y211-S220 PolarHBondContact N-O 2.9Å; Y211-S220 PolarHBondContact O-N 2.89Å; Y211-S220 PolarHBondContact O-OG 2.9Å; Y211-S220 VanDerWaalsContact O-OG 3.13Å; H213-S220 PolarHBondContact CD2-OG 3.43Å; H213-S220 PolarHBondContact NE2-OG 3.15Å; H213-S220 VanDerWaalsContact NE2-OG 3.08Å; S220-V257 WeakPolarHBondContact CA-O 3.32Å |
| 221 | W | 89.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 127.9 | 170.4 | 176.9 | 58.5 | 0 | 0 | 0 | 109.5 | L206 W207 T209 V210 P223 V227 V231 V253 R256 V257 L270 F272 | L206-W221 PolarHBondContact O-NE1 2.92Å; W207-W221 HydrophobicContact CH2-CD2 4.28Å; W207-W221 HydrophobicContact CH2-CE3 4.41Å; W207-W221 AromaticContact CH2-CH2 3.98Å; W207-W221 HydrophobicContact CH2-CH2 3.98Å; W207-W221 AromaticContact CH2-CZ2 3.84Å; W207-W221 HydrophobicContact CH2-CZ2 3.84Å; W207-W221 HydrophobicContact CH2-CZ3 4.28Å; W207-W221 AromaticContact CZ2-CH2 3.94Å; W207-W221 HydrophobicContact CZ2-CH2 3.94Å; W207-W221 AromaticContact CZ2-CZ2 3.72Å; W207-W221 HydrophobicContact CZ2-CZ2 3.72Å; T209-W221 PolarHBondContact OG1-NE1 3.29Å; V210-W221 HydrophobicContact CG2-CB 4.15Å; V210-W221 VanDerWaalsContact CG2-CD1 3.41Å; V210-W221 HydrophobicContact CG2-CG 3.86Å; W221-P223 HydrophobicContact CH2-CB 4.28Å; W221-P223 HydrophobicContact CH2-CG 4.05Å; W221-P223 HydrophobicContact CZ2-CB 3.8Å; W221-P223 HydrophobicContact CZ2-CG 4.02Å; W221-P223 HydrophobicContact CZ3-CG 4.36Å; W221-V227 HydrophobicContact CH2-CG2 3.79Å; W221-V227 HydrophobicContact CZ2-CG2 4.49Å; W221-V231 HydrophobicContact CE3-CG2 3.7Å; W221-V231 HydrophobicContact CH2-CG2 4.36Å; W221-V231 HydrophobicContact CZ3-CG2 3.41Å; W221-V231 VanDerWaalsContact CZ3-CG2 3.41Å; W221-V253 HydrophobicContact CH2-CG1 4.21Å; W221-V253 HydrophobicContact CH2-CG2 4.47Å; W221-V253 HydrophobicContact CZ3-CB 4.38Å; W221-V253 HydrophobicContact CZ3-CG1 3.68Å; W221-V253 HydrophobicContact CZ3-CG2 3.72Å; W221-R256 WeakPolarHBondContact O-CA 3.46Å; W221-V257 HydrophobicContact CE3-CG2 4.31Å; W221-V257 PolarHBondContact N-O 3.32Å; W221-V257 PolarHBondContact O-N 3.14Å; W221-L270 HydrophobicContact CB-CD2 3.91Å; W221-L270 HydrophobicContact CG-CD2 4.28Å; W221-F272 HydrophobicContact CH2-CD2 4.34Å; W221-F272 HydrophobicContact CH2-CE2 4.35Å |
| 222 | E | 87.2 | Confident | 85.2 | Confident | 84 Ų | 84 | 50.1 Ų | 50.1 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | trans | -132.5 | 101.5 | 177.7 | -174.1 | 163.1 | -165.9 | 0 | 0 | 107.9 | T209 R256 | T209-E222 PolarHBondContact OG1-O 3.3Å; E222-R256 HydrophobicContact CB-CG 4.28Å; E222-R256 HydrophobicContact CG-CB 4.48Å; E222-R256 IonicContact OE1-NE 3.19Å; E222-R256 IonicContact OE1-NH2 2.84Å; E222-R256 PolarHBondContact OE1-NH2 2.94Å; E222-R256 IonicContact OE2-CZ 2.8Å; E222-R256 IonicContact OE2-NE 3.83Å; E222-R256 PolarHBondContact OE2-NE 2.85Å; E222-R256 IonicContact OE2-NH2 3.43Å; E222-R256 PolarHBondContact OE2-NH2 2.86Å | ||
| 223 | P | 80.4 | Confident | 85.4 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 5% | 0.045 | 27% | 0.267 | C | S | . | . | trans | -70.4 | 141.4 | 175.4 | 29 | -35.1 | 0 | 0 | 0 | 110.6 | L206 W221 C225 V227 V253 R255 | L206-P223 HydrophobicContact CD2-CB 4.01Å; W221-P223 HydrophobicContact CH2-CB 4.28Å; W221-P223 HydrophobicContact CH2-CG 4.05Å; W221-P223 HydrophobicContact CZ2-CB 3.8Å; W221-P223 HydrophobicContact CZ2-CG 4.02Å; W221-P223 HydrophobicContact CZ3-CG 4.36Å; P223-C225 WeakPolarHBondContact CB-O 3.36Å; P223-C225 PolarHBondContact O-N 2.88Å; P223-V227 HydrophobicContact CB-CG2 4.36Å; P223-V227 HydrophobicContact CG-CG2 4.09Å; P223-V253 HydrophobicContact CG-CG1 4.49Å; P223-R255 WeakPolarHBondContact CD-O 3.36Å | ||
| 224 | T | 77.3 | Confident | 85.6 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -63.9 | -31.2 | 178.7 | -42 | 0 | 0 | 0 | 0 | 112.3 | ||
| 225 | C | 75.6 | Confident | 85.9 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 10% | 0.101 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -117.4 | 148 | 177.2 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | L176 P223 V227 | L176-C225 PolarHBondContact O-SG 3.15Å; P223-C225 WeakPolarHBondContact CB-O 3.36Å; P223-C225 PolarHBondContact O-N 2.88Å; C225-V227 PolarHBondContact O-N 2.94Å |
| 226 | P | 73.7 | Confident | 86.1 | Confident | 69 Ų | 69 | 37.2 Ų | 37.2 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | trans | -66.7 | 127.6 | 178.1 | 28.1 | -33.1 | 0 | 0 | 0 | 109.7 | K146 | K146-P226 HydrophobicContact CG-CG 4.4Å; K146-P226 WeakPolarHBondContact O-CD 3.44Å | ||
| 227 | V | 75.8 | Confident | 86 | Confident | 24 Ų | 24 | 37.7 Ų | 37.7 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | trans | -127.7 | 138.5 | 177 | -66.4 | 0 | 0 | 0 | 0 | 110 | L206 W221 P223 C225 V253 F272 | L206-V227 HydrophobicContact CD1-CG1 3.66Å; W221-V227 HydrophobicContact CH2-CG2 3.79Å; W221-V227 HydrophobicContact CZ2-CG2 4.49Å; P223-V227 HydrophobicContact CB-CG2 4.36Å; P223-V227 HydrophobicContact CG-CG2 4.09Å; C225-V227 PolarHBondContact O-N 2.94Å; V227-V253 HydrophobicContact CG2-CG1 3.93Å; V227-F272 HydrophobicContact CB-CZ 4.09Å; V227-F272 HydrophobicContact CG2-CE2 4.35Å; V227-F272 HydrophobicContact CG2-CZ 3.81Å | ||
| 228 | S | 77.8 | Confident | 85.6 | Confident | 112 Ų | 112 | 34.7 Ų | 34.7 | 78% | 0.783 | 20% | 0.199 | S | C | * | . | trans | -94.8 | 120.8 | 178.5 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | T274 | S228-T274 WeakPolarHBondContact O-CG2 3.03Š| ||
| 229 | G | 83.9 | Confident | 84.9 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 170.1 | -168.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V253 S273 | G229-V253 WeakPolarHBondContact O-CG2 3.07Å; G229-V253 PolarHBondContact O-N 2.95Å; G229-S273 WeakPolarHBondContact CA-O 3.29Å |
| 230 | H | 89.4 | Confident | 84.2 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 40% | 0.398 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.3 | -179.7 | -68.6 | -104.9 | 0 | 0 | 0 | 110.8 | Q251 F272 S273 | H230-Q251 WeakPolarHBondContact CA-O 3.47Å; H230-F272 CarbonylContact O-C 3.51Å; H230-F272 VanDerWaalsContact O-CA 3.26Å; H230-F272 WeakPolarHBondContact O-CA 3.32Å; H230-F272 WeakPolarHBondContact O-CD2 3.26Å; H230-S273 PolarHBondContact N-O 2.81Å; H230-S273 PolarHBondContact O-N 2.97Å |
| 231 | V | 90.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 142.9 | 168.7 | 173.3 | 0 | 0 | 0 | 0 | 109.3 | W207 W221 S250 Q251 V253 V257 Y259 L270 K271 F272 | W207-V231 HydrophobicContact CH2-CG2 4.5Å; W221-V231 HydrophobicContact CE3-CG2 3.7Å; W221-V231 HydrophobicContact CH2-CG2 4.36Å; W221-V231 HydrophobicContact CZ3-CG2 3.41Å; W221-V231 VanDerWaalsContact CZ3-CG2 3.41Å; V231-S250 CarbonylContact O-C 3.5Å; V231-S250 VanDerWaalsContact O-CA 3.29Å; V231-S250 WeakPolarHBondContact O-CA 3.28Å; V231-Q251 PolarHBondContact N-O 3.43Å; V231-Q251 PolarHBondContact O-N 2.89Å; V231-V253 HydrophobicContact CB-CG2 4.19Å; V231-V253 HydrophobicContact CG2-CG2 3.37Å; V231-V257 HydrophobicContact CB-CG1 4.33Å; V231-V257 HydrophobicContact CB-CG2 4.42Å; V231-V257 HydrophobicContact CG1-CG1 4.08Å; V231-V257 HydrophobicContact CG2-CG2 4.4Å; V231-Y259 HydrophobicContact CG1-CE2 4.04Å; V231-Y259 PolarHBondContact O-OH 2.61Å; V231-L270 HydrophobicContact CG1-CD1 3.53Å; V231-L270 HydrophobicContact CG1-CD2 4.06Å; V231-L270 HydrophobicContact CG1-CG 3.72Å; V231-K271 CarbonylContact C-O 3.6Å; V231-K271 WeakPolarHBondContact CA-O 3.37Å; V231-F272 HydrophobicContact CG2-CB 4.24Å; V231-F272 HydrophobicContact CG2-CD2 3.74Å; V231-F272 HydrophobicContact CG2-CG 4.43Å |
| 232 | S | 92.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 152 | 175 | 53.3 | 0 | 0 | 0 | 0 | 111 | K245 K271 | S232-K245 VanDerWaalsContact CB-CE 3.49Å; S232-K271 PolarHBondContact N-O 2.88Å; S232-K271 PolarHBondContact O-N 2.02Å |
| 233 | L | 92.9 | Very high | 83.9 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 144.6 | 166.6 | -63.2 | 174.5 | 0 | 0 | 0 | 108.8 | L219 L246 S249 Y259 L268 C269 L270 | L219-L233 HydrophobicContact CD2-CD2 3.94Å; L233-L246 HydrophobicContact CB-CB 4.3Å; L233-L246 HydrophobicContact CB-CD1 4.43Å; L233-L246 HydrophobicContact CB-CD2 4.29Å; L233-L246 PolarHBondContact O-N 3.5Å; L233-S249 PolarHBondContact N-OG 2.99Å; L233-S249 PolarHBondContact O-OG 3.39Å; L233-Y259 HydrophobicContact CD1-CD1 3.67Å; L233-Y259 HydrophobicContact CD1-CE1 4.09Å; L233-Y259 HydrophobicContact CD1-CG 4.01Å; L233-Y259 HydrophobicContact CD2-CD1 4.39Å; L233-Y259 HydrophobicContact CD2-CD2 4.02Å; L233-Y259 HydrophobicContact CD2-CE2 4.27Å; L233-Y259 HydrophobicContact CD2-CG 4.08Å; L233-Y259 HydrophobicContact CG-CD1 3.86Å; L233-Y259 HydrophobicContact CG-CD2 4.3Å; L233-Y259 HydrophobicContact CG-CE1 3.88Å; L233-Y259 HydrophobicContact CG-CE2 4.33Å; L233-Y259 HydrophobicContact CG-CG 4.07Å; L233-L268 HydrophobicContact CB-CD1 4.32Å; L233-C269 WeakPolarHBondContact CA-O 3.47Å; L233-L270 HydrophobicContact CD2-CD1 3.98Å |
| 234 | C | 92 | Very high | 84.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 152.7 | 175.1 | 71.4 | 0 | 0 | 0 | 0 | 111.1 | C243 R244 L246 C269 K271 | C234-C243 HydrophobicContact CB-CB 3.85Å; C234-C243 WeakPolarHBondContact CB-SG 3.44Å; C234-C243 WeakPolarHBondContact SG-CB 3.18Å; C234-C243 CovalentContact SG-SG 2.01Å; C234-C243 PolarHBondContact SG-SG 3.12Å; C234-R244 CarbonylContact C-O 3.48Å; C234-R244 WeakPolarHBondContact CA-O 3.4Å; C234-R244 WeakPolarHBondContact CB-O 3.4Å; C234-L246 VanDerWaalsContact C-CD1 3.42Å; C234-L246 VanDerWaalsContact CA-CD1 3.45Å; C234-C269 PolarHBondContact N-O 3.1Å; C234-C269 PolarHBondContact O-N 3.13Å; C234-K271 HydrophobicContact CB-CB 4.2Å |
| 235 | W | 90.9 | Very high | 85.1 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123 | 178.4 | -175.2 | -96.2 | 0 | 0 | 0 | 109.9 | R244 L246 Q265 Q267 | W235-R244 PolarHBondContact N-O 3.18Å; W235-R244 PolarHBondContact O-N 3.07Å; W235-L246 HydrophobicContact CB-CD1 3.97Å; W235-Q265 HydrophobicContact CH2-CB 4.44Å; W235-Q265 HydrophobicContact CZ3-CB 4.15Å; W235-Q267 WeakPolarHBondContact CA-O 3.49Å; W235-Q267 HydrophobicContact CD2-CB 3.71Å; W235-Q267 VanDerWaalsContact CE2-CB 3.48Å; W235-Q267 HydrophobicContact CE3-CB 3.78Å; W235-Q267 HydrophobicContact CH2-CB 3.51Å; W235-Q267 HydrophobicContact CH2-CG 3.92Å; W235-Q267 HydrophobicContact CZ2-CB 3.41Å; W235-Q267 VanDerWaalsContact CZ2-CB 3.41Å; W235-Q267 HydrophobicContact CZ2-CG 3.58Å; W235-Q267 HydrophobicContact CZ3-CB 3.68Å |
| 236 | R | 90.3 | Very high | 85.8 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 17% | 0.166 | 36% | 0.357 | C | S | . | . | trans | -110.9 | 110.8 | 177.6 | -169 | 171.2 | 64.3 | -179.7 | 2.2 | 110.4 | G238 A241 Q267 C282 E285 | R236-G238 VanDerWaalsContact C-N 3.26Å; R236-G238 WeakPolarHBondContact CG-O 3.25Å; R236-G238 PolarHBondContact O-N 2.83Å; R236-A241 WeakPolarHBondContact CD-O 3.49Å; R236-A241 HydrophobicContact CG-CB 4.42Å; R236-A241 WeakPolarHBondContact CG-O 3.38Å; R236-Q267 PolarHBondContact N-O 2.76Å; R236-Q267 WeakPolarHBondContact O-CB 3.44Å; R236-Q267 WeakPolarHBondContact O-CG 3.36Å; R236-C282 PolarHBondContact NH2-SG 2.89Å; R236-E285 IonicContact CZ-OE1 3.79Å; R236-E285 IonicContact CZ-OE2 3.84Å; R236-E285 IonicContact NH2-OE1 2.76Å; R236-E285 PolarHBondContact NH2-OE1 3.13Å; R236-E285 IonicContact NH2-OE2 2.7Å; R236-E285 PolarHBondContact NH2-OE2 3.24Å | ||
| 237 | P | 84.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | trans | -62 | -30.2 | -175.6 | -23.8 | 32.9 | 0 | 0 | 0 | 114.7 | A241 | P237-A241 HydrophobicContact CB-CB 4.45Å; P237-A241 HydrophobicContact CG-CB 4.42Å | ||
| 238 | G | 80.4 | Confident | 87 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 25% | 0.247 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -171.1 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R236 G240 A241 | R236-G238 VanDerWaalsContact C-N 3.26Å; R236-G238 WeakPolarHBondContact CG-O 3.25Å; R236-G238 PolarHBondContact O-N 2.83Å; G238-G240 PolarHBondContact O-N 3.4Å; G238-A241 WeakPolarHBondContact O-CB 3.4Å; G238-A241 PolarHBondContact O-N 2.88Å; G238-A241 VanDerWaalsContact O-N 3.13Å |
| 239 | P | 76.9 | Confident | 87.6 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 76% | 0.76 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 133 | 177.7 | -20.6 | 32.2 | 0 | 0 | 0 | 110.7 | A241 | P239-A241 PolarHBondContact O-N 3.28Š|
| 240 | G | 75.4 | Confident | 87.9 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 88% | 0.876 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -7.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | G238 | G238-G240 PolarHBondContact O-N 3.4Š|
| 241 | A | 84.8 | Confident | 87.9 | Confident | 38 Ų | 38 | 71.7 Ų | 71.7 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 144.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R236 P237 G238 P239 C243 | R236-A241 WeakPolarHBondContact CD-O 3.49Å; R236-A241 HydrophobicContact CG-CB 4.42Å; R236-A241 WeakPolarHBondContact CG-O 3.38Å; P237-A241 HydrophobicContact CB-CB 4.45Å; P237-A241 HydrophobicContact CG-CB 4.42Å; G238-A241 WeakPolarHBondContact O-CB 3.4Å; G238-A241 PolarHBondContact O-N 2.88Å; G238-A241 VanDerWaalsContact O-N 3.13Å; P239-A241 PolarHBondContact O-N 3.28Å; A241-C243 PolarHBondContact O-N 3.31Å |
| 242 | S | 87.3 | Confident | 87.6 | Confident | 109 Ų | 109 | 76.7 Ų | 76.7 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -62 | 130.7 | 175.4 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | R244 | S242-R244 PolarHBondContact O-N 3.04Š|
| 243 | C | 89.9 | Confident | 87 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 14% | 0.135 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 118.1 | 179.9 | -150.9 | 0 | 0 | 0 | 0 | 111.4 | C234 A241 V280 | C234-C243 HydrophobicContact CB-CB 3.85Å; C234-C243 WeakPolarHBondContact CB-SG 3.44Å; C234-C243 WeakPolarHBondContact SG-CB 3.18Å; C234-C243 CovalentContact SG-SG 2.01Å; C234-C243 PolarHBondContact SG-SG 3.12Å; A241-C243 PolarHBondContact O-N 3.31Å; C243-V280 HydrophobicContact CB-CG1 4.04Å; C243-V280 HydrophobicContact CB-CG2 4.09Å |
| 244 | R | 91.1 | Very high | 85.8 | Confident | 182 Ų | 182 | 83.1 Ų | 83.1 | 69% | 0.687 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 113.5 | -178.1 | -60.1 | -178.1 | -177 | -174.7 | 0.2 | 109.7 | C234 W235 S242 L246 | C234-R244 CarbonylContact C-O 3.48Å; C234-R244 WeakPolarHBondContact CA-O 3.4Å; C234-R244 WeakPolarHBondContact CB-O 3.4Å; W235-R244 PolarHBondContact N-O 3.18Å; W235-R244 PolarHBondContact O-N 3.07Å; S242-R244 PolarHBondContact O-N 3.04Å; R244-L246 PolarHBondContact O-N 2.85Å |
| 245 | K | 90.9 | Very high | 85 | Confident | 97 Ų | 97 | 92.5 Ų | 92.5 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 129.7 | -179 | -179 | 172.2 | 177.7 | 171.4 | 0 | 111.2 | S232 S250 | S232-K245 VanDerWaalsContact CB-CE 3.49Å; K245-S250 PolarHBondContact NZ-OG 2.93Å |
| 246 | L | 90.9 | Very high | 84.7 | Confident | 63 Ų | 63 | 94.8 Ų | 94.8 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 126.1 | 170.4 | -84.1 | 73.7 | 0 | 0 | 0 | 108.8 | L233 C234 W235 R244 S249 L268 | L233-L246 HydrophobicContact CB-CB 4.3Å; L233-L246 HydrophobicContact CB-CD1 4.43Å; L233-L246 HydrophobicContact CB-CD2 4.29Å; L233-L246 PolarHBondContact O-N 3.5Å; C234-L246 VanDerWaalsContact C-CD1 3.42Å; C234-L246 VanDerWaalsContact CA-CD1 3.45Å; W235-L246 HydrophobicContact CB-CD1 3.97Å; R244-L246 PolarHBondContact O-N 2.85Å; L246-S249 PolarHBondContact O-N 2.8Å; L246-S249 PolarHBondContact O-OG 2.79Å; L246-L268 HydrophobicContact CD1-CD1 4.44Å; L246-L268 HydrophobicContact CD2-CD1 4.38Å |
| 247 | Q | 86.9 | Confident | 84.6 | Confident | 163 Ų | 163 | 92.8 Ų | 92.8 | 76% | 0.762 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 144.3 | 178.6 | -64 | -59.4 | -29 | 0 | 0 | 110.6 | S249 | Q247-S249 PolarHBondContact O-N 2.88Å; Q247-S249 VanDerWaalsContact O-N 3.09Å |
| 248 | R | 87.2 | Confident | 85 | Confident | 250 Ų | 250 | 93.7 Ų | 93.7 | 94% | 0.943 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 10 | -179.2 | -55.1 | 179.2 | 177.5 | 165.8 | -1.5 | 116.5 | ||
| 249 | S | 89.7 | Confident | 85.5 | Confident | 13 Ų | 13 | 93.3 Ų | 93.3 | 9% | 0.091 | 47% | 0.466 | C | S | . | . | trans | -89.3 | -2.2 | 172 | 71.1 | 0 | 0 | 0 | 0 | 113.4 | L233 L246 Q247 Q251 Y259 | L233-S249 PolarHBondContact N-OG 2.99Å; L233-S249 PolarHBondContact O-OG 3.39Å; L246-S249 PolarHBondContact O-N 2.8Å; L246-S249 PolarHBondContact O-OG 2.79Å; Q247-S249 PolarHBondContact O-N 2.88Å; Q247-S249 VanDerWaalsContact O-N 3.09Å; S249-Q251 PolarHBondContact O-N 2.84Å; S249-Y259 VanDerWaalsContact O-CE1 3.26Å; S249-Y259 WeakPolarHBondContact O-CE1 3.33Å; S249-Y259 PolarHBondContact O-OH 3.29Å | ||
| 250 | S | 90.1 | Very high | 86.1 | Confident | 48 Ų | 48 | 92.1 Ų | 92.1 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | trans | -74.8 | 126.6 | -172.7 | -150.4 | 0 | 0 | 0 | 0 | 111.8 | V231 K245 | V231-S250 CarbonylContact O-C 3.5Å; V231-S250 VanDerWaalsContact O-CA 3.29Å; V231-S250 WeakPolarHBondContact O-CA 3.28Å; K245-S250 PolarHBondContact NZ-OG 2.93Å | ||
| 251 | Q | 89.8 | Confident | 86.7 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.5 | 174.9 | -59.2 | -173.5 | 34.4 | 0 | 0 | 110.1 | H230 V231 S249 V257 Q258 Y259 | H230-Q251 WeakPolarHBondContact CA-O 3.47Å; V231-Q251 PolarHBondContact N-O 3.43Å; V231-Q251 PolarHBondContact O-N 2.89Å; S249-Q251 PolarHBondContact O-N 2.84Å; Q251-V257 HydrophobicContact CB-CG1 4.34Å; Q251-Q258 PolarHBondContact NE2-O 2.87Å; Q251-Y259 HydrophobicContact CG-CE1 4.43Å |
| 252 | L | 85.6 | Confident | 86.8 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.2 | 171.8 | -87.5 | 152.4 | 0 | 0 | 0 | 110 | H254 | L252-H254 PolarHBondContact O-N 2.8Å; L252-H254 PolarHBondContact O-ND1 3.02Å; L252-H254 VanDerWaalsContact O-ND1 3.15Å |
| 253 | V | 80.1 | Confident | 86.7 | Confident | 10 Ų | 10 | 92.4 Ų | 92.4 | 6% | 0.061 | 43% | 0.426 | C | S | . | . | trans | -79.1 | 120.5 | 180 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | W221 P223 V227 G229 V231 V257 F272 | W221-V253 HydrophobicContact CH2-CG1 4.21Å; W221-V253 HydrophobicContact CH2-CG2 4.47Å; W221-V253 HydrophobicContact CZ3-CB 4.38Å; W221-V253 HydrophobicContact CZ3-CG1 3.68Å; W221-V253 HydrophobicContact CZ3-CG2 3.72Å; P223-V253 HydrophobicContact CG-CG1 4.49Å; V227-V253 HydrophobicContact CG2-CG1 3.93Å; G229-V253 WeakPolarHBondContact O-CG2 3.07Å; G229-V253 PolarHBondContact O-N 2.95Å; V231-V253 HydrophobicContact CB-CG2 4.19Å; V231-V253 HydrophobicContact CG2-CG2 3.37Å; V253-V257 HydrophobicContact CG2-CG2 4.3Å; V253-F272 HydrophobicContact CB-CE2 4.42Å; V253-F272 HydrophobicContact CG2-CD2 4Å; V253-F272 HydrophobicContact CG2-CE2 3.7Å | ||
| 254 | H | 67.3 | Low | 86.4 | Confident | 146 Ų | 146 | 92.6 Ų | 92.6 | 68% | 0.676 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -121.3 | -50.1 | 176 | -71.7 | 78.4 | 0 | 0 | 0 | 112.1 | L252 | L252-H254 PolarHBondContact O-N 2.8Å; L252-H254 PolarHBondContact O-ND1 3.02Å; L252-H254 VanDerWaalsContact O-ND1 3.15Å |
| 255 | R | 73.9 | Confident | 86.1 | Confident | 197 Ų | 197 | 87.3 Ų | 87.3 | 74% | 0.743 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -145.8 | -54.1 | 176.6 | -82.3 | -169.7 | 175.2 | -169.1 | -0.7 | 112.3 | P223 | P223-R255 WeakPolarHBondContact CD-O 3.36Š|
| 256 | R | 85.4 | Confident | 85.8 | Confident | 137 Ų | 137 | 86 Ų | 86 | 52% | 0.517 | 41% | 0.411 | S | S | . | . | trans | -137.8 | 139.3 | -178.2 | -176.7 | -174.4 | -68 | 169 | -1.3 | 108.4 | W221 E222 Q258 | W221-R256 WeakPolarHBondContact O-CA 3.46Å; E222-R256 HydrophobicContact CB-CG 4.28Å; E222-R256 HydrophobicContact CG-CB 4.48Å; E222-R256 IonicContact OE1-NE 3.19Å; E222-R256 IonicContact OE1-NH2 2.84Å; E222-R256 PolarHBondContact OE1-NH2 2.94Å; E222-R256 IonicContact OE2-CZ 2.8Å; E222-R256 IonicContact OE2-NE 3.83Å; E222-R256 PolarHBondContact OE2-NE 2.85Å; E222-R256 IonicContact OE2-NH2 3.43Å; E222-R256 PolarHBondContact OE2-NH2 2.86Å; R256-Q258 HydrophobicContact CG-CG 4.1Å | ||
| 257 | V | 89 | Confident | 85.7 | Confident | 2 Ų | 2 | 86.2 Ų | 86.2 | 1% | 0.012 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.6 | 173.4 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | S220 W221 V231 Q251 V253 Y259 | S220-V257 WeakPolarHBondContact CA-O 3.32Å; W221-V257 HydrophobicContact CE3-CG2 4.31Å; W221-V257 PolarHBondContact N-O 3.32Å; W221-V257 PolarHBondContact O-N 3.14Å; V231-V257 HydrophobicContact CB-CG1 4.33Å; V231-V257 HydrophobicContact CB-CG2 4.42Å; V231-V257 HydrophobicContact CG1-CG1 4.08Å; V231-V257 HydrophobicContact CG2-CG2 4.4Å; Q251-V257 HydrophobicContact CB-CG1 4.34Å; V253-V257 HydrophobicContact CG2-CG2 4.3Å; V257-Y259 HydrophobicContact CG1-CD2 4.22Å; V257-Y259 HydrophobicContact CG1-CE2 3.53Å |
| 258 | Q | 91.8 | Very high | 85.9 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.2 | 178.8 | -67 | -177.2 | -27 | 0 | 0 | 110.3 | T218 L219 Q251 R256 | T218-Q258 HydrophobicContact CG2-CB 4.12Å; T218-Q258 HydrophobicContact CG2-CG 4.39Å; L219-Q258 CarbonylContact O-C 3.56Å; L219-Q258 WeakPolarHBondContact O-CA 3.3Å; Q251-Q258 PolarHBondContact NE2-O 2.87Å; R256-Q258 HydrophobicContact CG-CG 4.1Å |
| 259 | Y | 91 | Very high | 86 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 104.8 | 169.5 | -65.2 | -85.4 | 0 | 0 | 0 | 107.5 | T218 L219 V231 L233 S249 Q251 V257 V262 L270 | T218-Y259 WeakPolarHBondContact CA-O 3.42Å; L219-Y259 PolarHBondContact N-O 2.99Å; L219-Y259 PolarHBondContact O-N 3.36Å; V231-Y259 HydrophobicContact CG1-CE2 4.04Å; V231-Y259 PolarHBondContact O-OH 2.61Å; L233-Y259 HydrophobicContact CD1-CD1 3.67Å; L233-Y259 HydrophobicContact CD1-CE1 4.09Å; L233-Y259 HydrophobicContact CD1-CG 4.01Å; L233-Y259 HydrophobicContact CD2-CD1 4.39Å; L233-Y259 HydrophobicContact CD2-CD2 4.02Å; L233-Y259 HydrophobicContact CD2-CE2 4.27Å; L233-Y259 HydrophobicContact CD2-CG 4.08Å; L233-Y259 HydrophobicContact CG-CD1 3.86Å; L233-Y259 HydrophobicContact CG-CD2 4.3Å; L233-Y259 HydrophobicContact CG-CE1 3.88Å; L233-Y259 HydrophobicContact CG-CE2 4.33Å; L233-Y259 HydrophobicContact CG-CG 4.07Å; S249-Y259 VanDerWaalsContact O-CE1 3.26Å; S249-Y259 WeakPolarHBondContact O-CE1 3.33Å; S249-Y259 PolarHBondContact O-OH 3.29Å; Q251-Y259 HydrophobicContact CG-CE1 4.43Å; V257-Y259 HydrophobicContact CG1-CD2 4.22Å; V257-Y259 HydrophobicContact CG1-CE2 3.53Å; Y259-V262 VanDerWaalsContact O-CG2 3.25Å; Y259-V262 WeakPolarHBondContact O-CG2 3.42Å; Y259-L270 HydrophobicContact CD2-CD1 4.06Å; Y259-L270 HydrophobicContact CE2-CD1 3.67Å |
| 260 | P | 90.5 | Very high | 86.1 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 59% | 0.591 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -75.8 | 160.4 | 175.8 | 32.3 | -34.5 | 0 | 0 | 0 | 111 | V262 | P260-V262 VanDerWaalsContact C-N 3.31Å; P260-V262 PolarHBondContact O-N 2.8Å |
| 261 | L | 88.1 | Confident | 86.1 | Confident | 140 Ų | 140 | 66.9 Ų | 66.9 | 73% | 0.733 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 55.2 | 43.6 | 175 | -55 | 173.9 | 0 | 0 | 0 | 113.3 | Q217 | Q217-L261 WeakPolarHBondContact O-CA 3.35Å; Q217-L261 PolarHBondContact O-N 3.13Å |
| 262 | V | 86.4 | Confident | 86 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | trans | -90.9 | 120 | 179 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | Y212 Q217 L219 Y259 P260 L268 F284 | Y212-V262 HydrophobicContact CE2-CB 4.28Å; Y212-V262 VanDerWaalsContact CE2-O 3.32Å; Y212-V262 WeakPolarHBondContact CE2-O 3.33Å; Y212-V262 PolarHBondContact OH-O 3.23Å; Q217-V262 PolarHBondContact O-N 3.48Å; L219-V262 HydrophobicContact CB-CB 4.3Å; L219-V262 HydrophobicContact CB-CG1 4.34Å; L219-V262 HydrophobicContact CB-CG2 4.11Å; Y259-V262 VanDerWaalsContact O-CG2 3.25Å; Y259-V262 WeakPolarHBondContact O-CG2 3.42Å; P260-V262 VanDerWaalsContact C-N 3.31Å; P260-V262 PolarHBondContact O-N 2.8Å; V262-L268 HydrophobicContact CG1-CD2 3.35Å; V262-F284 HydrophobicContact CG1-CE2 4.11Å; V262-F284 HydrophobicContact CG1-CZ 4.09Å | ||
| 263 | D | 84 | Confident | 85.9 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | trans | -68.9 | 142.4 | 171.3 | -78.5 | -24.7 | 0 | 0 | 0 | 111.6 | Q265 | D263-Q265 HydrophobicContact CB-CG 4.11Å; D263-Q265 PolarHBondContact O-N 2.9Å | ||
| 264 | T | 84.6 | Confident | 86 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | trans | -79.7 | 54.3 | -178 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | Y212 F284 F289 | Y212-T264 HydrophobicContact CD1-CG2 4.23Å; Y212-T264 HydrophobicContact CE1-CG2 3.46Å; Y212-T264 VanDerWaalsContact CE1-CG2 3.46Å; Y212-T264 HydrophobicContact CE2-CG2 4.39Å; Y212-T264 WeakPolarHBondContact OH-CG2 3.34Å; T264-F284 HydrophobicContact CG2-CD1 4.14Å; T264-F284 HydrophobicContact CG2-CE1 3.82Å; T264-F289 HydrophobicContact CG2-CD1 3.94Å; T264-F289 HydrophobicContact CG2-CE1 3.96Å; T264-F289 HydrophobicContact CG2-CG 4.21Å; T264-F289 HydrophobicContact CG2-CZ 4.23Å | ||
| 265 | Q | 84.9 | Confident | 86.4 | Confident | 71 Ų | 71 | 59.9 Ų | 59.9 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | trans | -82.1 | 129.9 | 179.8 | -61.9 | -163.8 | -0.2 | 0 | 0 | 111.3 | W235 D263 Q267 L268 F284 | W235-Q265 HydrophobicContact CH2-CB 4.44Å; W235-Q265 HydrophobicContact CZ3-CB 4.15Å; D263-Q265 HydrophobicContact CB-CG 4.11Å; D263-Q265 PolarHBondContact O-N 2.9Å; Q265-Q267 PolarHBondContact O-N 2.7Å; Q265-Q267 VanDerWaalsContact O-N 3.1Å; Q265-L268 HydrophobicContact CB-CB 4.28Å; Q265-L268 WeakPolarHBondContact O-CB 3.26Å; Q265-L268 PolarHBondContact O-N 3.17Å; Q265-F284 WeakPolarHBondContact O-CB 3.35Å; Q265-F284 WeakPolarHBondContact O-CD2 3.42Å | ||
| 266 | P | 85.1 | Confident | 86.2 | Confident | 71 Ų | 71 | 60 Ų | 60 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.1 | -177.4 | -26.9 | 34.6 | 0 | 0 | 0 | 114.9 | L268 | P266-L268 VanDerWaalsContact C-N 3.34Š|
| 267 | Q | 88.9 | Confident | 85.8 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -10.1 | -179.3 | -56.1 | 84 | 0.6 | 0 | 0 | 112.8 | W235 R236 Q265 | W235-Q267 WeakPolarHBondContact CA-O 3.49Å; W235-Q267 HydrophobicContact CD2-CB 3.71Å; W235-Q267 VanDerWaalsContact CE2-CB 3.48Å; W235-Q267 HydrophobicContact CE3-CB 3.78Å; W235-Q267 HydrophobicContact CH2-CB 3.51Å; W235-Q267 HydrophobicContact CH2-CG 3.92Å; W235-Q267 HydrophobicContact CZ2-CB 3.41Å; W235-Q267 VanDerWaalsContact CZ2-CB 3.41Å; W235-Q267 HydrophobicContact CZ2-CG 3.58Å; W235-Q267 HydrophobicContact CZ3-CB 3.68Å; R236-Q267 PolarHBondContact N-O 2.76Å; R236-Q267 WeakPolarHBondContact O-CB 3.44Å; R236-Q267 WeakPolarHBondContact O-CG 3.36Å; Q265-Q267 PolarHBondContact O-N 2.7Å; Q265-Q267 VanDerWaalsContact O-N 3.1Å |
| 268 | L | 90.6 | Very high | 85.6 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.1 | -179.5 | -171.5 | 68.7 | 0 | 0 | 0 | 110.3 | L233 L246 V262 Q265 P266 F284 | L233-L268 HydrophobicContact CB-CD1 4.32Å; L246-L268 HydrophobicContact CD1-CD1 4.44Å; L246-L268 HydrophobicContact CD2-CD1 4.38Å; V262-L268 HydrophobicContact CG1-CD2 3.35Å; Q265-L268 HydrophobicContact CB-CB 4.28Å; Q265-L268 WeakPolarHBondContact O-CB 3.26Å; Q265-L268 PolarHBondContact O-N 3.17Å; P266-L268 VanDerWaalsContact C-N 3.34Å; L268-F284 HydrophobicContact CB-CD2 4.22Å; L268-F284 HydrophobicContact CB-CE2 4.42Å; L268-F284 HydrophobicContact CD2-CE2 4.17Å |
| 269 | C | 89.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 158.9 | -176.3 | -50.6 | 0 | 0 | 0 | 0 | 111 | L233 C234 V280 R281 C282 | L233-C269 WeakPolarHBondContact CA-O 3.47Å; C234-C269 PolarHBondContact N-O 3.1Å; C234-C269 PolarHBondContact O-N 3.13Å; C269-V280 HydrophobicContact CB-CG1 3.71Å; C269-R281 CarbonylContact C-O 3.49Å; C269-R281 WeakPolarHBondContact CA-O 3.39Å; C269-R281 WeakPolarHBondContact CB-O 3.38Å; C269-C282 HydrophobicContact CB-CB 3.99Å; C269-C282 WeakPolarHBondContact CB-SG 3.34Å; C269-C282 WeakPolarHBondContact SG-CB 3.2Å; C269-C282 CovalentContact SG-SG 2.02Å; C269-C282 PolarHBondContact SG-SG 3.19Å |
| 270 | L | 90.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.7 | 170.7 | -159.5 | 73.4 | 0 | 0 | 0 | 108.4 | W207 V210 L219 W221 V231 L233 Y259 V280 R281 | W207-L270 HydrophobicContact CZ3-CB 4.43Å; W207-L270 HydrophobicContact CZ3-CD2 3.8Å; W207-L270 HydrophobicContact CZ3-CG 4.19Å; V210-L270 HydrophobicContact CG1-CD2 4Å; V210-L270 HydrophobicContact CG2-CD2 3.81Å; L219-L270 HydrophobicContact CD2-CD1 4.08Å; W221-L270 HydrophobicContact CB-CD2 3.91Å; W221-L270 HydrophobicContact CG-CD2 4.28Å; V231-L270 HydrophobicContact CG1-CD1 3.53Å; V231-L270 HydrophobicContact CG1-CD2 4.06Å; V231-L270 HydrophobicContact CG1-CG 3.72Å; L233-L270 HydrophobicContact CD2-CD1 3.98Å; Y259-L270 HydrophobicContact CD2-CD1 4.06Å; Y259-L270 HydrophobicContact CE2-CD1 3.67Å; L270-V280 CarbonylContact O-C 3.56Å; L270-V280 WeakPolarHBondContact O-CA 3.21Å; L270-R281 PolarHBondContact N-O 3.37Å; L270-R281 PolarHBondContact O-N 2.71Å |
| 271 | K | 90.4 | Very high | 85.1 | Confident | 50 Ų | 50 | 57.7 Ų | 57.7 | 22% | 0.217 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.3 | 175.2 | 176.8 | 172.6 | -179.3 | 172.1 | 0 | 110.5 | V231 S232 C234 S273 W279 V280 | V231-K271 CarbonylContact C-O 3.6Å; V231-K271 WeakPolarHBondContact CA-O 3.37Å; S232-K271 PolarHBondContact N-O 2.88Å; S232-K271 PolarHBondContact O-N 2.02Å; C234-K271 HydrophobicContact CB-CB 4.2Å; K271-S273 WeakPolarHBondContact CE-OG 3.41Å; K271-W279 WeakPolarHBondContact CA-O 2.96Å; K271-V280 HydrophobicContact CB-CG2 4.1Å; K271-V280 HydrophobicContact CD-CG2 4.22Å; K271-V280 HydrophobicContact CG-CG2 3.99Å |
| 272 | F | 87.1 | Confident | 85 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 149.2 | 167.9 | 175.2 | -121.9 | 0 | 0 | 0 | 111.5 | W207 W221 V227 H230 V231 V253 T274 S278 W279 | W207-F272 HydrophobicContact CH2-CB 3.06Å; W207-F272 HydrophobicContact CH2-CD1 4.33Å; W207-F272 AromaticContact CH2-CG 3.85Å; W207-F272 HydrophobicContact CH2-CG 3.85Å; W207-F272 HydrophobicContact CZ2-CB 2.98Å; W207-F272 AromaticContact CZ2-CD1 3.43Å; W207-F272 HydrophobicContact CZ2-CD1 3.43Å; W207-F272 VanDerWaalsContact CZ2-CD1 3.43Å; W207-F272 HydrophobicContact CZ2-CD2 4.38Å; W207-F272 HydrophobicContact CZ2-CE1 4.4Å; W207-F272 AromaticContact CZ2-CG 3.41Å; W207-F272 HydrophobicContact CZ2-CG 3.41Å; W207-F272 VanDerWaalsContact CZ2-CG 3.41Å; W207-F272 HydrophobicContact CZ3-CB 4.12Å; W221-F272 HydrophobicContact CH2-CD2 4.34Å; W221-F272 HydrophobicContact CH2-CE2 4.35Å; V227-F272 HydrophobicContact CB-CZ 4.09Å; V227-F272 HydrophobicContact CG2-CE2 4.35Å; V227-F272 HydrophobicContact CG2-CZ 3.81Å; H230-F272 CarbonylContact O-C 3.51Å; H230-F272 VanDerWaalsContact O-CA 3.26Å; H230-F272 WeakPolarHBondContact O-CA 3.32Å; H230-F272 WeakPolarHBondContact O-CD2 3.26Å; V231-F272 HydrophobicContact CG2-CB 4.24Å; V231-F272 HydrophobicContact CG2-CD2 3.74Å; V231-F272 HydrophobicContact CG2-CG 4.43Å; V253-F272 HydrophobicContact CB-CE2 4.42Å; V253-F272 HydrophobicContact CG2-CD2 4Å; V253-F272 HydrophobicContact CG2-CE2 3.7Å; F272-T274 HydrophobicContact CD1-CG2 3.93Å; F272-T274 HydrophobicContact CE1-CG2 3.15Å; F272-T274 HydrophobicContact CE2-CG2 3.95Å; F272-T274 HydrophobicContact CZ-CG2 3.16Å; F272-S278 CarbonylContact O-C 3.52Å; F272-S278 WeakPolarHBondContact O-CA 3.49Å; F272-S278 WeakPolarHBondContact O-CB 3.49Å; F272-W279 AromaticContact CD1-CE3 3.71Å; F272-W279 HydrophobicContact CD1-CE3 3.71Å; F272-W279 HydrophobicContact CD1-CZ3 4.04Å; F272-W279 HydrophobicContact CE1-CE3 4.31Å; F272-W279 HydrophobicContact CE1-CZ3 4.22Å; F272-W279 PolarHBondContact N-O 3.39Å; F272-W279 PolarHBondContact O-N 2.82Å |
| 273 | S | 84.9 | Confident | 85.1 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 128.7 | -178.8 | -54 | 0 | 0 | 0 | 0 | 109.2 | G229 H230 K271 | G229-S273 WeakPolarHBondContact CA-O 3.29Å; H230-S273 PolarHBondContact N-O 2.81Å; H230-S273 PolarHBondContact O-N 2.97Å; K271-S273 WeakPolarHBondContact CE-OG 3.41Å |
| 274 | T | 81.6 | Confident | 85.2 | Confident | 33 Ų | 33 | 48.2 Ų | 48.2 | 20% | 0.202 | 26% | 0.259 | C | S | . | . | trans | -121.3 | -179.4 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 109.1 | S228 F272 W276 G277 W279 | S228-T274 WeakPolarHBondContact O-CG2 3.03Å; F272-T274 HydrophobicContact CD1-CG2 3.93Å; F272-T274 HydrophobicContact CE1-CG2 3.15Å; F272-T274 HydrophobicContact CE2-CG2 3.95Å; F272-T274 HydrophobicContact CZ-CG2 3.16Å; T274-W276 PolarHBondContact O-N 2.79Å; T274-W276 PolarHBondContact OG1-N 2.89Å; T274-W276 VanDerWaalsContact OG1-N 3.14Å; T274-G277 PolarHBondContact N-O 2.01Å; T274-G277 PolarHBondContact OG1-N 3.31Å; T274-W279 HydrophobicContact CG2-CZ3 4.1Å | ||
| 275 | S | 76.1 | Confident | 84.9 | Confident | 112 Ų | 112 | 51.8 Ų | 51.8 | 78% | 0.783 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -63.1 | -20.6 | 170 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 276 | W | 68.9 | Low | 84 | Confident | 201 Ų | 201 | 56.8 Ų | 56.8 | 76% | 0.761 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -102.8 | -17.9 | -170.8 | -52.2 | 103 | 0 | 0 | 0 | 113.5 | T274 | T274-W276 PolarHBondContact O-N 2.79Å; T274-W276 PolarHBondContact OG1-N 2.89Å; T274-W276 VanDerWaalsContact OG1-N 3.14Å |
| 277 | G | 77.7 | Confident | 82.8 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | trans | 174.9 | -179.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T274 W279 | T274-G277 PolarHBondContact N-O 2.01Å; T274-G277 PolarHBondContact OG1-N 3.31Å; G277-W279 WeakPolarHBondContact O-CZ3 3.06Å | ||
| 278 | S | 84.4 | Confident | 81 | Confident | 67 Ų | 67 | 68.5 Ų | 68.5 | 47% | 0.469 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 135.8 | 174 | 74 | 0 | 0 | 0 | 0 | 111.4 | F272 | F272-S278 CarbonylContact O-C 3.52Å; F272-S278 WeakPolarHBondContact O-CA 3.49Å; F272-S278 WeakPolarHBondContact O-CB 3.49Å |
| 279 | W | 86.3 | Confident | 79.2 | Confident | 27 Ų | 27 | 70 Ų | 70 | 10% | 0.102 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 146.9 | -177.1 | -60.4 | -96.2 | 0 | 0 | 0 | 109.6 | L203 W207 K271 F272 T274 G277 | L203-W279 HydrophobicContact CB-CH2 4.45Å; L203-W279 HydrophobicContact CB-CZ2 3.93Å; L203-W279 HydrophobicContact CD1-CH2 3.89Å; L203-W279 HydrophobicContact CD1-CZ2 3.91Å; L203-W279 HydrophobicContact CG-CZ2 4.45Å; W207-W279 HydrophobicContact CD2-CB 4.23Å; W207-W279 HydrophobicContact CG-CB 4.46Å; W207-W279 AromaticContact NE1-CG 3.79Å; K271-W279 WeakPolarHBondContact CA-O 2.96Å; F272-W279 AromaticContact CD1-CE3 3.71Å; F272-W279 HydrophobicContact CD1-CE3 3.71Å; F272-W279 HydrophobicContact CD1-CZ3 4.04Å; F272-W279 HydrophobicContact CE1-CE3 4.31Å; F272-W279 HydrophobicContact CE1-CZ3 4.22Å; F272-W279 PolarHBondContact N-O 3.39Å; F272-W279 PolarHBondContact O-N 2.82Å; T274-W279 HydrophobicContact CG2-CZ3 4.1Å; G277-W279 WeakPolarHBondContact O-CZ3 3.06Å |
| 280 | V | 88.1 | Confident | 77 | Confident | 56 Ų | 56 | 75.3 Ų | 75.3 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.5 | -177.4 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | C243 C269 L270 K271 | C243-V280 HydrophobicContact CB-CG1 4.04Å; C243-V280 HydrophobicContact CB-CG2 4.09Å; C269-V280 HydrophobicContact CB-CG1 3.71Å; L270-V280 CarbonylContact O-C 3.56Å; L270-V280 WeakPolarHBondContact O-CA 3.21Å; K271-V280 HydrophobicContact CB-CG2 4.1Å; K271-V280 HydrophobicContact CD-CG2 4.22Å; K271-V280 HydrophobicContact CG-CG2 3.99Å |
| 281 | R | 87.7 | Confident | 74.7 | Confident | 110 Ų | 110 | 81.5 Ų | 81.5 | 42% | 0.415 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.6 | 174.2 | -171.2 | 67.3 | -179.4 | -173.4 | -2.7 | 110.6 | W207 V210 C269 L270 P283 | W207-R281 HydrophobicContact CE3-CB 3.87Å; V210-R281 HydrophobicContact CB-CG 4.46Å; C269-R281 CarbonylContact C-O 3.49Å; C269-R281 WeakPolarHBondContact CA-O 3.39Å; C269-R281 WeakPolarHBondContact CB-O 3.38Å; L270-R281 PolarHBondContact N-O 3.37Å; L270-R281 PolarHBondContact O-N 2.71Å; R281-P283 VanDerWaalsContact O-CD 3.28Å; R281-P283 WeakPolarHBondContact O-CD 3.34Å |
| 282 | C | 87.8 | Confident | 72.7 | Confident | 12 Ų | 12 | 82.6 Ų | 82.6 | 8% | 0.081 | 42% | 0.421 | C | S | . | . | trans | -112 | 89.6 | -178.9 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | R236 C269 F284 E285 | R236-C282 PolarHBondContact NH2-SG 2.89Å; C269-C282 HydrophobicContact CB-CB 3.99Å; C269-C282 WeakPolarHBondContact CB-SG 3.34Å; C269-C282 WeakPolarHBondContact SG-CB 3.2Å; C269-C282 CovalentContact SG-SG 2.02Å; C269-C282 PolarHBondContact SG-SG 3.19Å; C282-F284 PolarHBondContact O-N 3.09Å; C282-F284 VanDerWaalsContact O-N 3.12Å; C282-E285 HydrophobicContact CB-CB 4.08Å; C282-E285 PolarHBondContact O-N 3.41Å | ||
| 283 | P | 86.6 | Confident | 70.4 | Confident | 27 Ų | 27 | 88.5 Ų | 88.5 | 18% | 0.175 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17 | -172.4 | 26.3 | -34.7 | 0 | 0 | 0 | 113.6 | L219 R281 | L219-P283 HydrophobicContact CD1-CG 3.87Å; R281-P283 VanDerWaalsContact O-CD 3.28Å; R281-P283 WeakPolarHBondContact O-CD 3.34Å |
| 284 | F | 86.2 | Confident | 68.4 | Low | 2 Ų | 2 | 93.2 Ų | 93.2 | 1% | 0.009 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -4.7 | -176.2 | -50.1 | -61.3 | 0 | 0 | 0 | 114 | Y212 V262 T264 Q265 L268 C282 Q286 F289 | Y212-F284 AromaticContact CD1-CE1 3.96Å; Y212-F284 HydrophobicContact CD1-CE1 3.96Å; Y212-F284 AromaticContact CD2-CE1 3.77Å; Y212-F284 HydrophobicContact CD2-CE1 3.77Å; Y212-F284 AromaticContact CD2-CZ 3.62Å; Y212-F284 HydrophobicContact CD2-CZ 3.62Å; Y212-F284 HydrophobicContact CE1-CE1 4.38Å; Y212-F284 HydrophobicContact CE2-CE1 4.2Å; Y212-F284 HydrophobicContact CE2-CZ 4.01Å; Y212-F284 AromaticContact CG-CE1 3.62Å; Y212-F284 HydrophobicContact CG-CE1 3.62Å; Y212-F284 AromaticContact CG-CZ 3.95Å; Y212-F284 HydrophobicContact CG-CZ 3.95Å; V262-F284 HydrophobicContact CG1-CE2 4.11Å; V262-F284 HydrophobicContact CG1-CZ 4.09Å; T264-F284 HydrophobicContact CG2-CD1 4.14Å; T264-F284 HydrophobicContact CG2-CE1 3.82Å; Q265-F284 WeakPolarHBondContact O-CB 3.35Å; Q265-F284 WeakPolarHBondContact O-CD2 3.42Å; L268-F284 HydrophobicContact CB-CD2 4.22Å; L268-F284 HydrophobicContact CB-CE2 4.42Å; L268-F284 HydrophobicContact CD2-CE2 4.17Å; C282-F284 PolarHBondContact O-N 3.09Å; C282-F284 VanDerWaalsContact O-N 3.12Å; F284-Q286 PolarHBondContact O-N 3.42Å; F284-F289 HydrophobicContact CB-CE2 4.4Å; F284-F289 HydrophobicContact CD1-CD2 4.19Å; F284-F289 AromaticContact CD1-CE2 3.5Å; F284-F289 HydrophobicContact CD1-CE2 3.5Å; F284-F289 AromaticContact CD1-CZ 3.97Å; F284-F289 HydrophobicContact CD1-CZ 3.97Å; F284-F289 HydrophobicContact CE1-CE2 4.3Å; F284-F289 HydrophobicContact CE1-CZ 4.33Å; F284-F289 HydrophobicContact CG-CE2 4.42Å |
| 285 | E | 79.1 | Confident | 66.7 | Low | 98 Ų | 98 | 95.9 Ų | 95.9 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35.8 | -174.9 | -179.5 | 168.2 | -137.2 | 0 | 0 | 113.3 | R236 C282 | R236-E285 IonicContact CZ-OE1 3.79Å; R236-E285 IonicContact CZ-OE2 3.84Å; R236-E285 IonicContact NH2-OE1 2.76Å; R236-E285 PolarHBondContact NH2-OE1 3.13Å; R236-E285 IonicContact NH2-OE2 2.7Å; R236-E285 PolarHBondContact NH2-OE2 3.24Å; C282-E285 HydrophobicContact CB-CB 4.08Å; C282-E285 PolarHBondContact O-N 3.41Å |
| 286 | Q | 66.4 | Low | 65.1 | Low | 175 Ų | 175 | 102.4 Ų | 102.4 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -3.1 | -174.5 | -70.5 | -178.9 | -13.8 | 0 | 0 | 114.4 | F284 | F284-Q286 PolarHBondContact O-N 3.42Š|
| 287 | R | 58.7 | Low | 63.7 | Low | 130 Ų | 130 | 98 Ų | 98 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | trans | -103.7 | 130.3 | -169.8 | -78.2 | -170.8 | 177.5 | -163.3 | 9.1 | 112.4 | F289 | R287-F289 HydrophobicContact CB-CD2 3.31Å; R287-F289 HydrophobicContact CB-CE2 3.11Å; R287-F289 HydrophobicContact CB-CG 4.24Å; R287-F289 HydrophobicContact CB-CZ 3.93Å; R287-F289 HydrophobicContact CG-CD2 4.39Å; R287-F289 HydrophobicContact CG-CE2 3.74Å; R287-F289 HydrophobicContact CG-CZ 4.17Å; R287-F289 PolarHBondContact O-N 2.84Å | ||
| 288 | R | 51.6 | Low | 61.7 | Low | 254 Ų | 254 | 103.2 Ų | 103.2 | 96% | 0.958 | 54% | 0.539 | S | S | * | . | trans | -69 | 61.5 | 164.7 | -58.3 | 178.1 | -170.1 | 172 | 2 | 110 | ||||
| 289 | F | 52.4 | Low | 59.6 | Low | 49 Ų | 49 | 105.7 Ų | 105.7 | 22% | 0.215 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -68.5 | 136.6 | 168 | -71.5 | -75.7 | 0 | 0 | 0 | 108.1 | Y212 T264 F284 R287 T291 | Y212-F289 HydrophobicContact CD1-CZ 4.47Å; T264-F289 HydrophobicContact CG2-CD1 3.94Å; T264-F289 HydrophobicContact CG2-CE1 3.96Å; T264-F289 HydrophobicContact CG2-CG 4.21Å; T264-F289 HydrophobicContact CG2-CZ 4.23Å; F284-F289 HydrophobicContact CB-CE2 4.4Å; F284-F289 HydrophobicContact CD1-CD2 4.19Å; F284-F289 AromaticContact CD1-CE2 3.5Å; F284-F289 HydrophobicContact CD1-CE2 3.5Å; F284-F289 AromaticContact CD1-CZ 3.97Å; F284-F289 HydrophobicContact CD1-CZ 3.97Å; F284-F289 HydrophobicContact CE1-CE2 4.3Å; F284-F289 HydrophobicContact CE1-CZ 4.33Å; F284-F289 HydrophobicContact CG-CE2 4.42Å; R287-F289 HydrophobicContact CB-CD2 3.31Å; R287-F289 HydrophobicContact CB-CE2 3.11Å; R287-F289 HydrophobicContact CB-CG 4.24Å; R287-F289 HydrophobicContact CB-CZ 3.93Å; R287-F289 HydrophobicContact CG-CD2 4.39Å; R287-F289 HydrophobicContact CG-CE2 3.74Å; R287-F289 HydrophobicContact CG-CZ 4.17Å; R287-F289 PolarHBondContact O-N 2.84Å; F289-T291 PolarHBondContact O-N 3.36Å; F289-T291 VanDerWaalsContact O-N 3.13Å |
| 290 | P | 45.4 | Very low | 57.2 | Low | 111 Ų | 111 | 110.9 Ų | 110.9 | 72% | 0.721 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 124.1 | 170.6 | -7.8 | 17.8 | 0 | 0 | 0 | 107 | P292 | P290-P292 WeakPolarHBondContact O-CD 3.2Š|
| 291 | T | 42.1 | Very low | 54.9 | Low | 131 Ų | 131 | 114.8 Ų | 114.8 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 117 | 171.9 | 29.6 | 0 | 0 | 0 | 0 | 108.4 | F289 | F289-T291 PolarHBondContact O-N 3.36Å; F289-T291 VanDerWaalsContact O-N 3.13Å |
| 292 | P | 47.8 | Very low | 52.6 | Low | 74 Ų | 74 | 113.2 Ų | 113.2 | 48% | 0.481 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -59 | 145.1 | 169.1 | -17.4 | 30.1 | 0 | 0 | 0 | 108.1 | P290 T294 | P290-P292 WeakPolarHBondContact O-CD 3.2Å; P292-T294 PolarHBondContact O-N 3.07Å; P292-T294 VanDerWaalsContact O-N 3.07Å |
| 293 | P | 39.6 | Very low | 49.8 | Very low | 125 Ų | 125 | 116 Ų | 116 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 122.6 | 171.7 | 23.2 | -31.1 | 0 | 0 | 0 | 107.8 | S295 | P293-S295 PolarHBondContact O-N 2.95Š|
| 294 | T | 42.5 | Very low | 47.2 | Very low | 137 Ų | 137 | 119.7 Ų | 119.7 | 84% | 0.84 | 69% | 0.689 | S | S | * | * | trans | -42 | 108.4 | -179.2 | 40.9 | 0 | 0 | 0 | 0 | 110.8 | P292 R296 | P292-T294 PolarHBondContact O-N 3.07Å; P292-T294 VanDerWaalsContact O-N 3.07Å; T294-R296 PolarHBondContact O-N 2.77Å | ||
| 295 | S | 44.8 | Very low | 44.8 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | trans | -60.7 | 133.4 | 168.9 | 52 | 0 | 0 | 0 | 0 | 109.1 | P293 C297 | P293-S295 PolarHBondContact O-N 2.95Å; S295-C297 PolarHBondContact O-N 3.47Å | ||
| 296 | R | 44.3 | Very low | 42.5 | Very low | 250 Ų | 250 | 129 Ų | 129 | 94% | 0.943 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -65.9 | 47.4 | -175.9 | -68.1 | -178.8 | 172.6 | -155.5 | -0.6 | 115 | T294 | T294-R296 PolarHBondContact O-N 2.77Š|
| 297 | C | 39.2 | Very low | 40.9 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -128.7 | 77.4 | 174.2 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | S295 C299 | S295-C297 PolarHBondContact O-N 3.47Å; C297-C299 PolarHBondContact O-N 3.41Å | ||
| 298 | T | 35.4 | Very low | 39.6 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -76.2 | 107.2 | 160.6 | 36.7 | 0 | 0 | 0 | 0 | 108.8 | V300 | T298-V300 PolarHBondContact O-N 3.35Š| ||
| 299 | C | 39 | Very low | 38.8 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -73.5 | 113 | 165.2 | -64.9 | 0 | 0 | 0 | 0 | 108.8 | C297 T301 | C297-C299 PolarHBondContact O-N 3.41Å; C299-T301 PolarHBondContact O-N 3.28Å | ||
| 300 | V | 37.7 | Very low | 37.6 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -70.5 | 111 | 170.5 | 178.7 | 0 | 0 | 0 | 0 | 108 | T298 G302 | T298-V300 PolarHBondContact O-N 3.35Å; V300-G302 PolarHBondContact O-N 3.2Å | ||
| 301 | T | 37.9 | Very low | 36.9 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 102.5 | 166.1 | 42.8 | 0 | 0 | 0 | 0 | 108.6 | C299 | C299-T301 PolarHBondContact O-N 3.28Š| ||
| 302 | G | 39.4 | Very low | 36.9 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -72.5 | 125.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V300 | V300-G302 PolarHBondContact O-N 3.2Š| ||
| 303 | G | 30.3 | Very low | 36.3 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -179 | 86.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 304 | S | 32.3 | Very low | 35.9 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 67.8 | 116.7 | 138.8 | 172.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 305 | H | 35.1 | Very low | 35.6 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 61.8 | 102.1 | 142.9 | -75.9 | -88.2 | 0 | 0 | 0 | 120.9 | ||||
| 306 | S | 30.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -153.4 | 105.8 | 135.5 | 53.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 307 | S | 33.1 | Very low | 34.7 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -65.1 | 134.6 | 166.2 | -0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 308 | L | 31.5 | Very low | 34.5 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -179.2 | 158.4 | 146.7 | -93.5 | 156.2 | 0 | 0 | 0 | 108.4 | ||||
| 309 | P | 35.1 | Very low | 34.4 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | -96.4 | 165.5 | -122.3 | 36.7 | -35.8 | 0 | 0 | 0 | 114.8 | |||
| 310 | A | 27.9 | Very low | 34.2 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 311 | N | 30.5 | Very low | 34.2 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 120.2 | 159.7 | -155 | 10.1 | 0 | 0 | 0 | 107.6 | ||
| 312 | P | 41.5 | Very low | 33.9 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 59% | 0.591 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 120.8 | -179.3 | 32.2 | -27.5 | 0 | 0 | 0 | 107.7 | ||
| 313 | H | 35 | Very low | 33.6 | Very low | 188 Ų | 188 | 144 Ų | 144 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | 161 | 83.3 | 148.1 | -82.3 | -52 | 0 | 0 | 0 | 110.4 | ||||
| 314 | S | 32 | Very low | 33.9 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -170.5 | 101 | 150 | 39.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 315 | R | 35.8 | Very low | 34.2 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.8 | 175.6 | -148.5 | -177.2 | -153.6 | -177 | 5.9 | 108.1 | ||
| 316 | P | 34.3 | Very low | 34.2 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80 | 139.5 | 169 | -4.2 | 21.3 | 0 | 0 | 0 | 110.1 | ||
| 317 | T | 35.9 | Very low | 34.8 | Very low | 140 Ų | 140 | 149 Ų | 149 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140.4 | 174.6 | -44.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 318 | R | 34.4 | Very low | 35.3 | Very low | 238 Ų | 238 | 149.5 Ų | 149.5 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -24 | 126.3 | 176.5 | -138.1 | 172.8 | -174.9 | 177.8 | -0.1 | 115.5 | ||||
| 319 | S | 33.1 | Very low | 35.8 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 136.8 | 168.7 | 67 | 0 | 0 | 0 | 0 | 111.1 | ||
| 320 | L | 34.9 | Very low | 36.4 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82 | 117.2 | 161.1 | -82.7 | 153.8 | 0 | 0 | 0 | 107.3 | ||
| 321 | Q | 37.5 | Very low | 37.3 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 143.4 | 169.3 | -76.9 | 173.4 | -53.5 | 0 | 0 | 110.2 | ||
| 322 | P | 32.4 | Very low | 38 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 130.1 | 169.4 | 29.2 | -30.7 | 0 | 0 | 0 | 110.6 | ||
| 323 | Q | 33.8 | Very low | 38.1 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70 | 129.8 | 168.1 | -82.1 | -163 | -31.2 | 0 | 0 | 110.2 | ||
| 324 | V | 36.4 | Very low | 38.3 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 117.9 | 169.7 | 176.5 | 0 | 0 | 0 | 0 | 107.7 | ||
| 325 | T | 37 | Very low | 38.9 | Very low | 129 Ų | 129 | 158.6 Ų | 158.6 | 79% | 0.791 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 132.2 | 169.3 | -4.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 326 | P | 36.8 | Very low | 39 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 132.6 | 178.4 | -2.3 | 19.7 | 0 | 0 | 0 | 111.4 | ||
| 327 | Q | 42.3 | Very low | 39.3 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 136.4 | 167 | -108.5 | 178.4 | -42.3 | 0 | 0 | 110.1 | ||
| 328 | P | 43.1 | Very low | 39.5 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 73% | 0.734 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 151.9 | 172 | 27.6 | -24.7 | 0 | 0 | 0 | 111.7 | ||
| 329 | P | 43 | Very low | 39.8 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76 | 142.6 | -176 | 30.2 | -33 | 0 | 0 | 0 | 112.3 | ||
| 330 | L | 47.8 | Very low | 40.2 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 147.2 | 173.5 | -76.3 | 160.1 | 0 | 0 | 0 | 111.1 | ||
| 331 | P | 45 | Very low | 40.5 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 77% | 0.766 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 144.2 | 179 | 16.8 | -3.8 | 0 | 0 | 0 | 112 | ||
| 332 | L | 46.5 | Very low | 40.8 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.9 | 170.8 | -79 | 151.2 | 0 | 0 | 0 | 110.7 | ||
| 333 | P | 42.6 | Very low | 41.4 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 142.1 | 163.4 | 7.9 | 7.4 | 0 | 0 | 0 | 110.7 | ||
| 334 | S | 40.8 | Very low | 42 | Very low | 100 Ų | 100 | 151.8 Ų | 151.8 | 70% | 0.699 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 142.8 | 177.5 | 41.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 335 | W | 43.3 | Very low | 42.6 | Very low | 324 Ų | 324 | 153.1 Ų | 153.1 | 100% | 1.227 | 85% | 0.846 | S | S | * | * | trans | 81 | 0 | 173.9 | -56.6 | 86.7 | 0 | 0 | 0 | 117.6 |
Retrieved 335 of 335 residues in 225.1 ms
(Link to these results)